smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1cc2ccccc2cc1[O-])N1CCCSC1 ZINC001347353676 936880574 /nfs/dbraw/zinc/88/05/74/936880574.db2.gz AFUMKIJMAMVCQC-UHFFFAOYSA-N -1 1 273.357 3.082 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CCC[C@H](F)C1 ZINC001349000314 936941573 /nfs/dbraw/zinc/94/15/73/936941573.db2.gz ZHZOVBVWJQQOCP-QWRGUYRKSA-N -1 1 285.746 3.190 20 0 CGADMM Cc1ccc(CNC(=S)Nc2cccc(F)c2[O-])cc1 ZINC001200313717 937063128 /nfs/dbraw/zinc/06/31/28/937063128.db2.gz OVNCQXOOPADCME-UHFFFAOYSA-N -1 1 290.363 3.326 20 0 CGADMM Nc1cc(F)ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000232402189 928208237 /nfs/dbraw/zinc/20/82/37/928208237.db2.gz FGYPHSULDBCDNC-UHFFFAOYSA-N -1 1 280.686 3.019 20 0 CGADMM CC(C)=C(C)CC(=O)Nc1nc(Br)ccc1[O-] ZINC001447935042 937372026 /nfs/dbraw/zinc/37/20/26/937372026.db2.gz WGOBCWBDIQUBHQ-UHFFFAOYSA-N -1 1 299.168 3.235 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc(O)ccc1Cl ZINC001449445643 937379618 /nfs/dbraw/zinc/37/96/18/937379618.db2.gz JEVSEUZECSRMOV-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM C[C@H](C(=O)Nc1cc(F)cc(F)c1[O-])c1cccs1 ZINC001451743773 937391898 /nfs/dbraw/zinc/39/18/98/937391898.db2.gz OOIXZERUKQEXTC-ZETCQYMHSA-N -1 1 283.299 3.474 20 0 CGADMM CC[C@H]1CCCC[C@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001453029701 937400647 /nfs/dbraw/zinc/40/06/47/937400647.db2.gz HOYNARSLIROKKA-SMDDNHRTSA-N -1 1 265.328 3.452 20 0 CGADMM Cc1coc(C(=O)NCc2ccc([O-])c(Cl)c2)c1C ZINC001455449941 937417759 /nfs/dbraw/zinc/41/77/59/937417759.db2.gz MEARLIJYOHNBSK-UHFFFAOYSA-N -1 1 279.723 3.185 20 0 CGADMM CCCC(CCC)C(=O)[N-]Oc1ccccc1F ZINC001455477972 937417961 /nfs/dbraw/zinc/41/79/61/937417961.db2.gz ABRFHDFHPCXZQN-UHFFFAOYSA-N -1 1 253.317 3.452 20 0 CGADMM CCc1ccc(C(=O)Nc2nc(C3CC3)c(C)o2)c([O-])c1 ZINC001456496354 937431202 /nfs/dbraw/zinc/43/12/02/937431202.db2.gz JUJSTGMORXTAKD-UHFFFAOYSA-N -1 1 286.331 3.381 20 0 CGADMM O=C(NC[C@H]1C[C@H]1C1CCCC1)c1cc(F)ccc1[O-] ZINC001457309177 937440539 /nfs/dbraw/zinc/44/05/39/937440539.db2.gz KUNPSXZUOWOWKK-YPMHNXCESA-N -1 1 277.339 3.087 20 0 CGADMM C/C(=C\c1ccco1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001457757949 937445614 /nfs/dbraw/zinc/44/56/14/937445614.db2.gz CTOOQNMLIXMXRC-BQYQJAHWSA-N -1 1 278.695 3.076 20 0 CGADMM CCCC(C)(C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000133700319 931973448 /nfs/dbraw/zinc/97/34/48/931973448.db2.gz FCHAOCDACWIBNF-UHFFFAOYSA-N -1 1 255.745 3.354 20 0 CGADMM C[C@@H](Oc1cc([O-])cc2oc(=O)ccc12)c1cccnc1 ZINC001229130006 932101907 /nfs/dbraw/zinc/10/19/07/932101907.db2.gz STSCDQLQSIASQR-SNVBAGLBSA-N -1 1 283.283 3.034 20 0 CGADMM C[C@@H]1CCCC[C@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134721 932103659 /nfs/dbraw/zinc/10/36/59/932103659.db2.gz JGESCUTYLUARAS-ZWNOBZJWSA-N -1 1 274.316 3.456 20 0 CGADMM C[C@H]1COC[C@@H]1Oc1cc([O-])c(Cl)cc1Cl ZINC001229411568 932147229 /nfs/dbraw/zinc/14/72/29/932147229.db2.gz SWCIRFNVCSXOIL-KGFZYKRKSA-N -1 1 263.120 3.113 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@H]1CCOC(C)(C)C1 ZINC001229476601 932157984 /nfs/dbraw/zinc/15/79/84/932157984.db2.gz IAMBUQFUOARSNG-LBPRGKRZSA-N -1 1 278.348 3.321 20 0 CGADMM CCCCCC[C@@H](CC)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282134 932551325 /nfs/dbraw/zinc/55/13/25/932551325.db2.gz PMUSGNTZNIWPDH-LLVKDONJSA-N -1 1 268.357 3.324 20 0 CGADMM Cc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)ns1 ZINC001304284251 932848546 /nfs/dbraw/zinc/84/85/46/932848546.db2.gz JTNCABOCVNSXRS-UHFFFAOYSA-N -1 1 286.715 3.202 20 0 CGADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC001306799846 932887102 /nfs/dbraw/zinc/88/71/02/932887102.db2.gz UDALPMUVFDYZBW-NXEZZACHSA-N -1 1 251.301 3.152 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)C(C)(C)C)n1 ZINC001307251983 932934022 /nfs/dbraw/zinc/93/40/22/932934022.db2.gz BOTHCRVPVSFGQM-SECBINFHSA-N -1 1 282.409 3.231 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001463803910 937680843 /nfs/dbraw/zinc/68/08/43/937680843.db2.gz ANSJZHJJTCCTTR-MGPQQGTHSA-N -1 1 288.391 3.184 20 0 CGADMM Cc1cc([C@@H](C)NC(=O)c2cccc([O-])c2F)c(C)o1 ZINC001464572206 937692843 /nfs/dbraw/zinc/69/28/43/937692843.db2.gz FCRVNAQKXWFSNX-SECBINFHSA-N -1 1 277.295 3.232 20 0 CGADMM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001464642234 937693522 /nfs/dbraw/zinc/69/35/22/937693522.db2.gz JZTAJKXXRACUGB-JQWIXIFHSA-N -1 1 265.328 3.087 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@H](Cc2ccccc2)C1 ZINC001465398190 937700540 /nfs/dbraw/zinc/70/05/40/937700540.db2.gz NQZIQDIVTAZQIB-CQSZACIVSA-N -1 1 299.345 3.236 20 0 CGADMM CC(C)c1cc([N-]C(=O)c2conc2C(F)(F)F)no1 ZINC001465491140 937701055 /nfs/dbraw/zinc/70/10/55/937701055.db2.gz JFIUZUISSBBIES-UHFFFAOYSA-N -1 1 289.213 3.057 20 0 CGADMM O=C(NCc1cccc(Cl)c1F)c1cc(F)ccc1[O-] ZINC001465499712 937701341 /nfs/dbraw/zinc/70/13/41/937701341.db2.gz YIBGRTIRSVVDKP-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM Cc1cccc2c1CN(C(=O)c1ccc(F)c([O-])c1)CC2 ZINC001466851788 937712880 /nfs/dbraw/zinc/71/28/80/937712880.db2.gz VWFOSFOHDZPUMI-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM COc1cc(NC(=O)c2cccc([O-])c2F)c(C)cc1C ZINC001467451489 937718399 /nfs/dbraw/zinc/71/83/99/937718399.db2.gz IMTWUDDYJMSCOC-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM C[C@@H](C(=O)[N-]OC(C)(C)C)c1cccc(Cl)c1 ZINC001319589570 933897010 /nfs/dbraw/zinc/89/70/10/933897010.db2.gz KQCFCIAQXOMBJM-SECBINFHSA-N -1 1 255.745 3.290 20 0 CGADMM CC[C@@H](C)CCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001469930002 937745938 /nfs/dbraw/zinc/74/59/38/937745938.db2.gz AKCBLUXNSRTPCD-SNVBAGLBSA-N -1 1 290.338 3.246 20 0 CGADMM CC1(C)C(NC(=O)NCc2ccc([O-])c(Cl)c2)C1(C)C ZINC001471235221 937763206 /nfs/dbraw/zinc/76/32/06/937763206.db2.gz LPFFYZYOZMFWAP-UHFFFAOYSA-N -1 1 296.798 3.279 20 0 CGADMM O=C(Nc1cc(F)c(O)cc1Cl)c1cc(F)ccc1[O-] ZINC001472192842 937773863 /nfs/dbraw/zinc/77/38/63/937773863.db2.gz DACSDBIZDGJSBQ-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM O=C(CC(C1CC1)C1CC1)Nc1nc(Cl)ccc1[O-] ZINC001326843430 935012837 /nfs/dbraw/zinc/01/28/37/935012837.db2.gz ZDXCDRKMUFALMW-UHFFFAOYSA-N -1 1 280.755 3.205 20 0 CGADMM O=C(C[C@H]1C=CCC1)Nc1cccc([O-])c1Br ZINC001334950079 936122970 /nfs/dbraw/zinc/12/29/70/936122970.db2.gz ZPPJFIVSMZZTGA-VIFPVBQESA-N -1 1 296.164 3.450 20 0 CGADMM CCn1ncc([N-]c2nc(C(C)(C)C)ns2)c1C ZINC001335873175 936165086 /nfs/dbraw/zinc/16/50/86/936165086.db2.gz POYFUBNZRKPQSX-UHFFFAOYSA-N -1 1 265.386 3.104 20 0 CGADMM CC(C)(C)[C@H]1CCN1C(=O)c1c([O-])cccc1Cl ZINC001336864807 936223607 /nfs/dbraw/zinc/22/36/07/936223607.db2.gz QYUSMHRXLKXSEA-LLVKDONJSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1cccc(F)c1 ZINC001538812850 938120920 /nfs/dbraw/zinc/12/09/20/938120920.db2.gz KPWVDMLGCPOLKX-UHFFFAOYSA-N -1 1 279.698 3.366 20 0 CGADMM O=C(NCC1CC(c2ccccc2)C1)c1ccc(F)c([O-])c1 ZINC001556325100 938203220 /nfs/dbraw/zinc/20/32/20/938203220.db2.gz SYSYWHIVECYVDK-UHFFFAOYSA-N -1 1 299.345 3.455 20 0 CGADMM Cc1csc(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001556919743 938206435 /nfs/dbraw/zinc/20/64/35/938206435.db2.gz NTYZYJIOUNHFDH-UHFFFAOYSA-N -1 1 269.272 3.293 20 0 CGADMM Cc1cc(C)c(O)c(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC001557873260 938212161 /nfs/dbraw/zinc/21/21/61/938212161.db2.gz UQEOQLMXKAYPLF-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM CCSc1ccc(C(=O)Nc2cccc(F)c2[O-])cn1 ZINC001557956571 938212732 /nfs/dbraw/zinc/21/27/32/938212732.db2.gz OBFOTQZMRXTDSP-UHFFFAOYSA-N -1 1 292.335 3.291 20 0 CGADMM O=C([O-])[C@@H]1CN(Cc2ccccc2F)Cc2ccccc21 ZINC000087612473 949095414 /nfs/dbraw/zinc/09/54/14/949095414.db2.gz AEVBGGPUUNREFW-OAHLLOKOSA-N -1 1 285.318 3.010 20 0 CGADMM CSc1ccc(CN[C@@H](CCC(C)(C)C)C(=O)[O-])o1 ZINC001594195222 959191887 /nfs/dbraw/zinc/19/18/87/959191887.db2.gz SCNQXHYIECAFEX-NSHDSACASA-N -1 1 285.409 3.371 20 0 CGADMM Cc1cscc1NC(=O)c1ccc(F)c([O-])c1 ZINC001566547719 960955738 /nfs/dbraw/zinc/95/57/38/960955738.db2.gz CSTLWNBBXIIYJG-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM CC[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)[C@H]1C ZINC001567819139 961438579 /nfs/dbraw/zinc/43/85/79/961438579.db2.gz WJUGOXMTCSKMBV-VHSXEESVSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(Nc1ccccc1C(F)F)C(=O)c1ccc([O-])cc1 ZINC001570549973 961998259 /nfs/dbraw/zinc/99/82/59/961998259.db2.gz LBNLXQANJRQDFU-UHFFFAOYSA-N -1 1 291.253 3.151 20 0 CGADMM Cc1cccc(CNCc2ccccc2C(=O)[O-])c1F ZINC001574398122 962304458 /nfs/dbraw/zinc/30/44/58/962304458.db2.gz FUCWCOZCUUUPQY-UHFFFAOYSA-N -1 1 273.307 3.122 20 0 CGADMM Cc1ccc2oc(CNCc3ccc(C(=O)[O-])[nH]3)cc2c1 ZINC001574727522 962316368 /nfs/dbraw/zinc/31/63/68/962316368.db2.gz OAXBLUXKGPMALC-UHFFFAOYSA-N -1 1 284.315 3.057 20 0 CGADMM C/C=C\[C@@H](O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001585193319 962998986 /nfs/dbraw/zinc/99/89/86/962998986.db2.gz UGQAQYUIAZIRSV-JLIVMUMWSA-N -1 1 291.734 3.074 20 0 CGADMM CC(C)(C)C[C@@H]1CCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000307828494 963230026 /nfs/dbraw/zinc/23/00/26/963230026.db2.gz YQMGKBDQYOOARS-JTQLQIEISA-N -1 1 282.409 3.099 20 0 CGADMM C/C(=C\C(=O)[O-])CN(C)[C@H](C)c1nc2ccccc2s1 ZINC001588947121 963329441 /nfs/dbraw/zinc/32/94/41/963329441.db2.gz VUJSOJOFYKDYGM-RJCSOLBVSA-N -1 1 290.388 3.320 20 0 CGADMM C[C@H](N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccns1 ZINC001589124262 963344604 /nfs/dbraw/zinc/34/46/04/963344604.db2.gz VFSTWJKEQAOKQF-XDTLVQLUSA-N -1 1 288.372 3.107 20 0 CGADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)[C@H]1C ZINC001594536768 986155707 /nfs/dbraw/zinc/15/57/07/986155707.db2.gz FPBKKYAUYNZVDD-BDAKNGLRSA-N -1 1 287.281 3.244 20 0 CGADMM CC=C(C=CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)CC ZINC001594676674 987007963 /nfs/dbraw/zinc/00/79/63/987007963.db2.gz AOHLPEVVFJSZHI-ODVCJYRKSA-N -1 1 299.330 3.112 20 0 CGADMM CCc1oc(CN2CCc3ccc(C)cc3C2)cc1C(=O)[O-] ZINC001597798680 989371350 /nfs/dbraw/zinc/37/13/50/989371350.db2.gz HXDMTTDZVXMPCP-UHFFFAOYSA-N -1 1 299.370 3.407 20 0 CGADMM CC(C)C[C@@H]1CCC[N@@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC001591207762 992044998 /nfs/dbraw/zinc/04/49/98/992044998.db2.gz ZBPBXVCMDFMDLU-NSHDSACASA-N -1 1 282.409 3.099 20 0 CGADMM CC(C)C[C@@H]1CCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC001591207762 992045001 /nfs/dbraw/zinc/04/50/01/992045001.db2.gz ZBPBXVCMDFMDLU-NSHDSACASA-N -1 1 282.409 3.099 20 0 CGADMM CC(C)[N@@H+](Cc1c(Cl)cccc1C(=O)[O-])[C@@H]1CCOC1 ZINC001591595369 992818050 /nfs/dbraw/zinc/81/80/50/992818050.db2.gz MVGSDYCQRIWLKK-LLVKDONJSA-N -1 1 297.782 3.038 20 0 CGADMM CC(C)N(Cc1c(Cl)cccc1C(=O)[O-])[C@@H]1CCOC1 ZINC001591595369 992818055 /nfs/dbraw/zinc/81/80/55/992818055.db2.gz MVGSDYCQRIWLKK-LLVKDONJSA-N -1 1 297.782 3.038 20 0 CGADMM C[C@H](N[C@@H](c1ccncc1)C1CC1)c1cc(C(=O)[O-])co1 ZINC001593210893 994256554 /nfs/dbraw/zinc/25/65/54/994256554.db2.gz TZBNKACONMNXPA-ZUZCIYMTSA-N -1 1 286.331 3.175 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[C@H](C)C2(CCC2)C1 ZINC001593731708 996304336 /nfs/dbraw/zinc/30/43/36/996304336.db2.gz HYAKKVLNAGXPLS-QWRGUYRKSA-N -1 1 294.420 3.414 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC(C2CCC2)CC1 ZINC001593731986 996307143 /nfs/dbraw/zinc/30/71/43/996307143.db2.gz LIAYXTBAKCKNCY-SNVBAGLBSA-N -1 1 294.420 3.414 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[C@H](C)C(C)(C)C1 ZINC001593732178 996308808 /nfs/dbraw/zinc/30/88/08/996308808.db2.gz PIRVYWMLYDROPK-UWVGGRQHSA-N -1 1 282.409 3.270 20 0 CGADMM CC1(C)c2ccccc2CCN1Cc1cccc(C(=O)[O-])n1 ZINC001593988955 997246190 /nfs/dbraw/zinc/24/61/90/997246190.db2.gz RUUVIOARXFKWJT-UHFFFAOYSA-N -1 1 296.370 3.073 20 0 CGADMM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1csc(C(=O)[O-])c1 ZINC001594177378 998687882 /nfs/dbraw/zinc/68/78/82/998687882.db2.gz XASIBNJCDJEJJC-VXNVDRBHSA-N -1 1 293.310 3.219 20 0 CGADMM C[C@@H]1C[C@H](C)N1Cc1cc(C(=O)[O-])ccc1Cl ZINC001594233743 998891406 /nfs/dbraw/zinc/89/14/06/998891406.db2.gz ZWRMGEPCNJYYHO-DTORHVGOSA-N -1 1 253.729 3.021 20 0 CGADMM C[C@@H]1CCC[C@H](C2CN(Cc3cc(C(=O)[O-])co3)C2)C1 ZINC001594344890 999304446 /nfs/dbraw/zinc/30/44/46/999304446.db2.gz KAQXGWRWMWEJCN-NEPJUHHUSA-N -1 1 277.364 3.236 20 0 CGADMM CSc1ccccc1[C@@H](C)NC(=O)c1ncccc1[O-] ZINC000337542976 214148608 /nfs/dbraw/zinc/14/86/08/214148608.db2.gz KNHZUTGPKHNZCO-SNVBAGLBSA-N -1 1 288.372 3.000 20 0 CGADMM CC[C@H](C)Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000436879775 529684330 /nfs/dbraw/zinc/68/43/30/529684330.db2.gz OHVSCKHHTHKEKW-QMMMGPOBSA-N -1 1 250.273 3.170 20 0 CGADMM C[C@@H](c1ccccc1Cl)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133704 345805095 /nfs/dbraw/zinc/80/50/95/345805095.db2.gz XQLKPFKMCPAHDO-QWRGUYRKSA-N -1 1 299.823 3.293 20 0 CGADMM c1nn(Cc2ccccc2)cc1[N-]c1nc(C2CC2)ns1 ZINC000092620664 345847785 /nfs/dbraw/zinc/84/77/85/345847785.db2.gz IRIDYRKZHZPWHA-UHFFFAOYSA-N -1 1 297.387 3.404 20 0 CGADMM [O-]c1ccc(-c2nc([C@@H]3Cc4ccccc43)no2)c(F)c1 ZINC000230228935 346320657 /nfs/dbraw/zinc/32/06/57/346320657.db2.gz PZXLOWMLPXFJTA-CYBMUJFWSA-N -1 1 282.274 3.269 20 0 CGADMM C[C@@H](c1ccc(Cl)cc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000251785595 346390306 /nfs/dbraw/zinc/39/03/06/346390306.db2.gz UPOKESNTZRGGNY-GXFFZTMASA-N -1 1 299.823 3.293 20 0 CGADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(Cl)cc1F)CC2 ZINC000405379989 346603514 /nfs/dbraw/zinc/60/35/14/346603514.db2.gz WSTDXFGCVSRGSA-GFCCVEGCSA-N -1 1 297.757 3.166 20 0 CGADMM CS[C@@H](C)CCC(=O)Nc1cccc(F)c1[O-] ZINC000600446825 347800476 /nfs/dbraw/zinc/80/04/76/347800476.db2.gz SRRAWIROEWZICK-QMMMGPOBSA-N -1 1 257.330 3.002 20 0 CGADMM Cn1ccnc1[C@@H](NCc1cccc([O-])c1Cl)C1CC1 ZINC000339392937 215143054 /nfs/dbraw/zinc/14/30/54/215143054.db2.gz YADZYZWPGDWGBF-AWEZNQCLSA-N -1 1 291.782 3.020 20 0 CGADMM Cc1ccc(C)c(CC(=O)Nc2c([O-])cccc2F)c1 ZINC000608367557 348302350 /nfs/dbraw/zinc/30/23/50/348302350.db2.gz WQXJYIQJATVOGE-UHFFFAOYSA-N -1 1 273.307 3.329 20 0 CGADMM CCS[C@H]1CCCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000613508249 348613501 /nfs/dbraw/zinc/61/35/01/348613501.db2.gz NDNZDKFJCJZROW-LBPRGKRZSA-N -1 1 297.395 3.279 20 0 CGADMM CCSCc1cc(C(=O)Nc2c([O-])cccc2F)no1 ZINC000613806974 348633058 /nfs/dbraw/zinc/63/30/58/348633058.db2.gz CIOMLUYBXMGNKI-UHFFFAOYSA-N -1 1 296.323 3.025 20 0 CGADMM COc1cc(C(=O)N2[C@H](C)CCC2(C)C)cc(Cl)c1[O-] ZINC000616177868 348793833 /nfs/dbraw/zinc/79/38/33/348793833.db2.gz OCBXEGAXGVSDNN-SECBINFHSA-N -1 1 297.782 3.457 20 0 CGADMM CCOc1cc(C(=O)N[C@@]23C[C@@H]2CCC3)cc(Cl)c1[O-] ZINC000617198124 348929260 /nfs/dbraw/zinc/92/92/60/348929260.db2.gz RGZYVSXPTUTIKT-BONVTDFDSA-N -1 1 295.766 3.117 20 0 CGADMM CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc([O-])c(F)c1 ZINC000620578246 349389675 /nfs/dbraw/zinc/38/96/75/349389675.db2.gz YYEKGZJZZXMGTJ-CMPLNLGQSA-N -1 1 265.328 3.325 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1ccc(C(F)F)o1 ZINC000626264529 350289628 /nfs/dbraw/zinc/28/96/28/350289628.db2.gz ARUFNWFPXHGBMU-UHFFFAOYSA-N -1 1 270.235 3.328 20 0 CGADMM C[C@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000630848388 350898305 /nfs/dbraw/zinc/89/83/05/350898305.db2.gz FKJWRRCWRDVOGJ-NSHDSACASA-N -1 1 281.783 3.237 20 0 CGADMM CCCN(CC(F)F)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630866865 350901786 /nfs/dbraw/zinc/90/17/86/350901786.db2.gz POUQLFOLCGYHSU-UHFFFAOYSA-N -1 1 291.725 3.092 20 0 CGADMM CCN(Cc1ccoc1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630892592 350904449 /nfs/dbraw/zinc/90/44/49/350904449.db2.gz OMLKJXINGXWUMS-UHFFFAOYSA-N -1 1 293.750 3.230 20 0 CGADMM Cc1nc(SCC[C@H]2CCCCO2)[n-]c(=O)c1C1CC1 ZINC000631023213 350926787 /nfs/dbraw/zinc/92/67/87/350926787.db2.gz MBGMLNSRYYWRFD-GFCCVEGCSA-N -1 1 294.420 3.419 20 0 CGADMM Cc1nc(SCc2cccnc2)[n-]c(=O)c1C1CC1 ZINC000631024799 350927519 /nfs/dbraw/zinc/92/75/19/350927519.db2.gz DPSIUBFNUJRMTH-UHFFFAOYSA-N -1 1 273.361 3.055 20 0 CGADMM Cc1nc(S[C@H](C)c2cnccn2)[n-]c(=O)c1C1CC1 ZINC000631024275 350928010 /nfs/dbraw/zinc/92/80/10/350928010.db2.gz RCIRUZITXVAFLI-SECBINFHSA-N -1 1 288.376 3.011 20 0 CGADMM C[C@@H]1CC[C@H](C)N(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000631570885 351070510 /nfs/dbraw/zinc/07/05/10/351070510.db2.gz VBPXWAXDLFOKKZ-MNOVXSKESA-N -1 1 281.783 3.235 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(C(F)F)CCC1 ZINC000632028859 351159410 /nfs/dbraw/zinc/15/94/10/351159410.db2.gz UZYLCKXRIRRWRB-UHFFFAOYSA-N -1 1 275.682 3.420 20 0 CGADMM CC[C@@H]1[C@@H](C)CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632548551 351204272 /nfs/dbraw/zinc/20/42/72/351204272.db2.gz QPSOMNXZDQEHIR-GXFFZTMASA-N -1 1 281.783 3.235 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000633629253 351335238 /nfs/dbraw/zinc/33/52/38/351335238.db2.gz UEMWVOWMMNBQPS-RWMBFGLXSA-N -1 1 293.794 3.141 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC1(C2CCC2)CC1 ZINC000633577999 351326214 /nfs/dbraw/zinc/32/62/14/351326214.db2.gz NLYRRZNREOGKEX-UHFFFAOYSA-N -1 1 279.767 3.037 20 0 CGADMM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C1CC1 ZINC000634588329 351526696 /nfs/dbraw/zinc/52/66/96/351526696.db2.gz PGIJVUIXVNLAOX-LBPRGKRZSA-N -1 1 293.164 3.198 20 0 CGADMM COc1ccc(CCn2[n-]c3c(c2=O)CCCCC3)cc1 ZINC000634612527 351542161 /nfs/dbraw/zinc/54/21/61/351542161.db2.gz AWCFJVTXGMZVGD-HNNXBMFYSA-N -1 1 286.375 3.016 20 0 CGADMM CCc1cc(=O)n(-c2ccc(Br)c(F)c2)[n-]1 ZINC000634616310 351544492 /nfs/dbraw/zinc/54/44/92/351544492.db2.gz ICVRYJYQMVACKE-UHFFFAOYSA-N -1 1 285.116 3.091 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3cnc4ccccc4c3)c(=O)c2C1 ZINC000634618475 351545612 /nfs/dbraw/zinc/54/56/12/351545612.db2.gz SJRIMPINKLGPEJ-DOMZBBRYSA-N -1 1 293.370 3.369 20 0 CGADMM CC1(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)CCC1 ZINC000339842757 215360904 /nfs/dbraw/zinc/36/09/04/215360904.db2.gz TUZNTRMSGHLUQZ-UHFFFAOYSA-N -1 1 295.795 3.342 20 0 CGADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])C1CCOCC1 ZINC000152300843 188007880 /nfs/dbraw/zinc/00/78/80/188007880.db2.gz TWFSJKWIKBYHNX-GFCCVEGCSA-N -1 1 299.370 3.090 20 0 CGADMM CN(CCC1CC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000156248479 188251026 /nfs/dbraw/zinc/25/10/26/188251026.db2.gz UJCLKEQGANOPAK-UHFFFAOYSA-N -1 1 269.344 3.418 20 0 CGADMM COc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1F ZINC000336330866 213177008 /nfs/dbraw/zinc/17/70/08/213177008.db2.gz FGSZWRGPDRWKHO-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM Cc1ccc([C@H](NCc2cc(F)ccc2F)C(=O)[O-])cc1 ZINC000426709966 236307033 /nfs/dbraw/zinc/30/70/33/236307033.db2.gz TXMNUTOWJCJVDE-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM Cc1ccsc1CN[C@H](C(=O)[O-])c1cccs1 ZINC000426797722 236315477 /nfs/dbraw/zinc/31/54/77/236315477.db2.gz CGQVXNDDMZTQCV-NSHDSACASA-N -1 1 267.375 3.034 20 0 CGADMM O=C(NCc1cnc2ccccc2c1)c1cc(F)ccc1[O-] ZINC000436547047 237129524 /nfs/dbraw/zinc/12/95/24/237129524.db2.gz PWQFYXRJPUMGME-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=C(N[C@@H]1C=CCCC1)c1ccc2ccccc2c1[O-] ZINC000436584810 237135235 /nfs/dbraw/zinc/13/52/35/237135235.db2.gz IBZORVUPIWUNKS-CYBMUJFWSA-N -1 1 267.328 3.384 20 0 CGADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc2ccccc2cc1[O-] ZINC000436822782 237187219 /nfs/dbraw/zinc/18/72/19/237187219.db2.gz XBUMVHRHCDWLPK-VIKVFOODSA-N -1 1 267.328 3.074 20 0 CGADMM COc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)c([O-])c1 ZINC000436756613 237173776 /nfs/dbraw/zinc/17/37/76/237173776.db2.gz QZIFTJBQENMBLN-UHFFFAOYSA-N -1 1 282.299 3.134 20 0 CGADMM O=C(N[C@@H]1CC=CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751909 237174489 /nfs/dbraw/zinc/17/44/89/237174489.db2.gz OKMMWSQLQWIJDM-SNVBAGLBSA-N -1 1 285.265 3.250 20 0 CGADMM COc1cccc([C@H](C)NC(=O)c2c([O-])cccc2F)c1 ZINC000436948943 237219054 /nfs/dbraw/zinc/21/90/54/237219054.db2.gz QIUAYIWBFDGQQB-JTQLQIEISA-N -1 1 289.306 3.031 20 0 CGADMM Cc1nc(-c2nc(-c3ccc([O-])cc3F)no2)c(C)s1 ZINC000436872187 237199170 /nfs/dbraw/zinc/19/91/70/237199170.db2.gz JJEKPGUCNDBZCQ-UHFFFAOYSA-N -1 1 291.307 3.322 20 0 CGADMM [O-]c1c(-c2nc(Cc3ccon3)no2)ccc2ccccc21 ZINC000436933592 237211230 /nfs/dbraw/zinc/21/12/30/237211230.db2.gz IFAKTNVKEKXFTD-UHFFFAOYSA-N -1 1 293.282 3.174 20 0 CGADMM O=C(NCCCCC1CCCC1)C(=O)c1ccc([O-])cc1 ZINC000436926823 237211735 /nfs/dbraw/zinc/21/17/35/237211735.db2.gz LCRUUISCRJBQOA-UHFFFAOYSA-N -1 1 289.375 3.052 20 0 CGADMM Cc1nc(-c2ccc(N3CC[C@@H](C)[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000301505725 201035258 /nfs/dbraw/zinc/03/52/58/201035258.db2.gz ZPNZJRFGLUYPSR-MFKMUULPSA-N -1 1 298.390 3.096 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)C2CC=CC2)c1 ZINC000182901330 189338758 /nfs/dbraw/zinc/33/87/58/189338758.db2.gz CXYMHHWLJVNKQG-UHFFFAOYSA-N -1 1 296.164 3.368 20 0 CGADMM CC(C)=CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182907499 189339302 /nfs/dbraw/zinc/33/93/02/189339302.db2.gz FLTUWQKGEFWXGU-UHFFFAOYSA-N -1 1 284.153 3.368 20 0 CGADMM CCCC(C)(C)[N-]S(=O)(=O)c1sccc1Cl ZINC000451137708 240228753 /nfs/dbraw/zinc/22/87/53/240228753.db2.gz VGXJWDAEUXTIPB-UHFFFAOYSA-N -1 1 281.830 3.259 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456288015 241392434 /nfs/dbraw/zinc/39/24/34/241392434.db2.gz TXFPVNLSQQYFHD-DZGCQCFKSA-N -1 1 291.778 3.306 20 0 CGADMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1ccccc1 ZINC000477708255 243051956 /nfs/dbraw/zinc/05/19/56/243051956.db2.gz QZVIWHROSQUHNF-SNVBAGLBSA-N -1 1 259.280 3.274 20 0 CGADMM CC[C@@H](Sc1nc(C)c(C)c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000478734983 243084639 /nfs/dbraw/zinc/08/46/39/243084639.db2.gz UQEHXWCNWBQQED-SNVBAGLBSA-N -1 1 298.408 3.011 20 0 CGADMM CCCCC[C@H]1CCC[N@@H+]1Cc1nc(CC)cc(=O)[n-]1 ZINC000486809977 243372998 /nfs/dbraw/zinc/37/29/98/243372998.db2.gz QCYCNSWLEMVMIS-AWEZNQCLSA-N -1 1 277.412 3.289 20 0 CGADMM Cc1cnc([C@@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)cn1 ZINC000488269657 243523794 /nfs/dbraw/zinc/52/37/94/243523794.db2.gz YVZWUJHYRMETGG-SSDOTTSWSA-N -1 1 298.318 3.072 20 0 CGADMM Cc1ccccc1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000047916753 369332013 /nfs/dbraw/zinc/33/20/13/369332013.db2.gz JTRACIHRFJUHSV-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM CCCCCN(C(=O)c1ncc(C)cc1[O-])C(C)C ZINC000330863369 203326811 /nfs/dbraw/zinc/32/68/11/203326811.db2.gz APNVGFISAHERIN-UHFFFAOYSA-N -1 1 264.369 3.136 20 0 CGADMM CCN(CC1CC1)C(=O)c1ccc(Br)cc1[O-] ZINC000069238633 369755097 /nfs/dbraw/zinc/75/50/97/369755097.db2.gz NXNZBBQDIXNTHT-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM CCN(Cc1ccc(Cl)s1)C(=O)c1cncc([O-])c1 ZINC000109042294 370359575 /nfs/dbraw/zinc/35/95/75/370359575.db2.gz ACRUWRPRIHWYQM-UHFFFAOYSA-N -1 1 296.779 3.164 20 0 CGADMM CC[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H](C)O1 ZINC000111644587 370402766 /nfs/dbraw/zinc/40/27/66/370402766.db2.gz VIUSROVZQWBFGY-SWLSCSKDSA-N -1 1 299.370 3.185 20 0 CGADMM CC[C@@H](C)Oc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000111772291 370407185 /nfs/dbraw/zinc/40/71/85/370407185.db2.gz HWZRDPDPKLZKLV-LLVKDONJSA-N -1 1 286.331 3.217 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1C1CCCC1 ZINC000132884127 371210438 /nfs/dbraw/zinc/21/04/38/371210438.db2.gz DPLXZOOLMOLBSJ-CQSZACIVSA-N -1 1 277.339 3.326 20 0 CGADMM CC(C)(C)Nc1ccccc1NC(=O)c1cncc([O-])c1 ZINC000286607958 371526429 /nfs/dbraw/zinc/52/64/29/371526429.db2.gz XRJJYFVLPXULAB-UHFFFAOYSA-N -1 1 285.347 3.250 20 0 CGADMM CC(=O)CN(CC(C)C)C(=O)c1cc2ccccc2cc1[O-] ZINC000421884232 371697876 /nfs/dbraw/zinc/69/78/76/371697876.db2.gz FNNRELMAPSDWNO-UHFFFAOYSA-N -1 1 299.370 3.233 20 0 CGADMM Cc1nc(CSc2nc(C(F)F)cc(=O)[n-]2)cs1 ZINC000289651493 371782297 /nfs/dbraw/zinc/78/22/97/371782297.db2.gz XILLDAILVIQARW-UHFFFAOYSA-N -1 1 289.332 3.177 20 0 CGADMM Cc1ccc(-c2nnco2)cc1NC(=O)c1ccccc1[O-] ZINC000154459433 371848422 /nfs/dbraw/zinc/84/84/22/371848422.db2.gz KLQVILZLUWEABB-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(CCF)CC1 ZINC000290585328 372022734 /nfs/dbraw/zinc/02/27/34/372022734.db2.gz TVNNFGIGLHYLMO-UHFFFAOYSA-N -1 1 257.692 3.124 20 0 CGADMM C[C@@H](C(=O)[N-]OCC1CC1)c1ccc(Br)cc1 ZINC000293868293 372506862 /nfs/dbraw/zinc/50/68/62/372506862.db2.gz WMRMDMSEFYJBMH-SECBINFHSA-N -1 1 298.180 3.010 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2ccc([O-])cc2F)CC1(C)C ZINC000294009786 372553824 /nfs/dbraw/zinc/55/38/24/372553824.db2.gz SLSKFMJGPDIITE-CYBMUJFWSA-N -1 1 265.328 3.038 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C ZINC000294119676 372586659 /nfs/dbraw/zinc/58/66/59/372586659.db2.gz NLEDGBFVKOJZCU-QWRGUYRKSA-N -1 1 255.317 3.026 20 0 CGADMM Oc1ccc(F)c(CNCCCNc2ccccc2)c1F ZINC000294153428 372597451 /nfs/dbraw/zinc/59/74/51/372597451.db2.gz ICMQYOZBURXIJZ-UHFFFAOYSA-N -1 1 292.329 3.262 20 0 CGADMM CCN(Cc1cccc([O-])c1Cl)CC(F)(F)F ZINC000295396309 372763115 /nfs/dbraw/zinc/76/31/15/372763115.db2.gz QIBARLVUZSUMHC-UHFFFAOYSA-N -1 1 267.678 3.430 20 0 CGADMM COCCN(Cc1ccco1)Cc1cccc([O-])c1Cl ZINC000295420216 372774236 /nfs/dbraw/zinc/77/42/36/372774236.db2.gz SDQCUJNUMIUASV-UHFFFAOYSA-N -1 1 295.766 3.287 20 0 CGADMM CCOc1cc(C(=O)N[C@H]2CC[C@H](C)C2)cc(Cl)c1[O-] ZINC000444463681 373191894 /nfs/dbraw/zinc/19/18/94/373191894.db2.gz HICGVRAEECBYCH-ONGXEEELSA-N -1 1 297.782 3.363 20 0 CGADMM Cc1cc(C(=O)N=c2cc(-c3cc(C)ccc3F)[n-][nH]2)co1 ZINC000444810788 373278754 /nfs/dbraw/zinc/27/87/54/373278754.db2.gz FYQUQGIHHOUTJA-UHFFFAOYSA-N -1 1 299.305 3.100 20 0 CGADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(F)(F)F ZINC000289548481 197398397 /nfs/dbraw/zinc/39/83/97/197398397.db2.gz OPQHXPXUBPIADJ-VKHMYHEASA-N -1 1 274.214 3.163 20 0 CGADMM COc1cccc([C@H](C)N=c2[n-]c(C(C)=O)c(C)s2)c1 ZINC000450271577 374032924 /nfs/dbraw/zinc/03/29/24/374032924.db2.gz RJYZTIFHCOCOIM-VIFPVBQESA-N -1 1 290.388 3.258 20 0 CGADMM O=C(NCc1ccc(Cl)cc1)c1ccc([O-])cc1F ZINC000181038846 374071416 /nfs/dbraw/zinc/07/14/16/374071416.db2.gz KMKVSKAFLYQDLS-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2ccc([O-])cc2F)cc1 ZINC000181054752 374074588 /nfs/dbraw/zinc/07/45/88/374074588.db2.gz LUGUXUGVSKDVTA-UHFFFAOYSA-N -1 1 273.307 3.112 20 0 CGADMM O=C(Nc1ccc2c(c1)CCC2)c1ccc([O-])cc1F ZINC000181077662 374076976 /nfs/dbraw/zinc/07/69/76/374076976.db2.gz SQYBFTXFYCYLLB-UHFFFAOYSA-N -1 1 271.291 3.272 20 0 CGADMM C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([O-])cc1F ZINC000181223195 374096934 /nfs/dbraw/zinc/09/69/34/374096934.db2.gz VHRWUWLRXVVWRI-RWSFTLGLSA-N -1 1 277.339 3.325 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000075911028 541909700 /nfs/dbraw/zinc/90/97/00/541909700.db2.gz LKSFDKWYHJRKFR-JTQLQIEISA-N -1 1 259.280 3.022 20 0 CGADMM CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000311335227 374239749 /nfs/dbraw/zinc/23/97/49/374239749.db2.gz FSMPBYULBHBTNZ-WDEREUQCSA-N -1 1 265.328 3.182 20 0 CGADMM CC1(F)CC(NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000452284419 374311678 /nfs/dbraw/zinc/31/16/78/374311678.db2.gz OYVQGLOGZSCEOU-UHFFFAOYSA-N -1 1 273.307 3.166 20 0 CGADMM CCc1cnccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182867952 374337644 /nfs/dbraw/zinc/33/76/44/374337644.db2.gz ATLAVESLXQMTJC-UHFFFAOYSA-N -1 1 276.723 3.255 20 0 CGADMM COc1cc(C(=O)N[C@@H]2C[C@]2(C)C(C)C)cc(Cl)c1[O-] ZINC000458122038 374696906 /nfs/dbraw/zinc/69/69/06/374696906.db2.gz XQOBQSLXBABCQB-IUODEOHRSA-N -1 1 297.782 3.219 20 0 CGADMM C[C@H](c1ccc(F)cc1)S(=O)(=O)c1ccc([O-])cc1 ZINC000334366589 374688776 /nfs/dbraw/zinc/68/87/76/374688776.db2.gz JFSCQLAXXZHDBI-SNVBAGLBSA-N -1 1 280.320 3.066 20 0 CGADMM O=C(c1ccc(O)cc1[O-])N1CCCCCc2ccccc21 ZINC000439051306 296222329 /nfs/dbraw/zinc/22/23/29/296222329.db2.gz CISNPRNHBDKEIZ-UHFFFAOYSA-N -1 1 297.354 3.471 20 0 CGADMM CC[C@H](CN(CC)C(=O)c1cncc([O-])c1)c1ccccc1 ZINC000186435625 374850975 /nfs/dbraw/zinc/85/09/75/374850975.db2.gz LLCRHYRMIVYFAA-CQSZACIVSA-N -1 1 298.386 3.443 20 0 CGADMM CCOc1cc(C(=O)N2[C@H](C)CC[C@@H]2C)cc(Cl)c1[O-] ZINC000186862242 374931918 /nfs/dbraw/zinc/93/19/18/374931918.db2.gz FOVJMKUIZKZEFG-AOOOYVTPSA-N -1 1 297.782 3.457 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cc(C)cc(C)c2)n1 ZINC000188097908 375157425 /nfs/dbraw/zinc/15/74/25/375157425.db2.gz KOCTWQSKKSPRBO-UHFFFAOYSA-N -1 1 274.389 3.241 20 0 CGADMM CCc1cc(=O)[n-]c(SCCc2ccccc2Cl)n1 ZINC000188112477 375159770 /nfs/dbraw/zinc/15/97/70/375159770.db2.gz CNKSRKWRWRLQLY-UHFFFAOYSA-N -1 1 294.807 3.321 20 0 CGADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335218371 375238011 /nfs/dbraw/zinc/23/80/11/375238011.db2.gz RZRJZZLUOQLIJH-RTHLEPHNSA-N -1 1 269.291 3.291 20 0 CGADMM C[C@H]1CCN(Cc2cccc(Cl)c2F)C[C@@H]1C(=O)[O-] ZINC000335420715 375278655 /nfs/dbraw/zinc/27/86/55/375278655.db2.gz DFUNEJGEDUNRII-ONGXEEELSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@H]1CCN(Cc2cc(Cl)ccc2F)C[C@H]1C(=O)[O-] ZINC000335445639 375299177 /nfs/dbraw/zinc/29/91/77/375299177.db2.gz YBRIEIGFLSGILE-JOYOIKCWSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])cc2F)CC1 ZINC000189460367 375391282 /nfs/dbraw/zinc/39/12/82/375391282.db2.gz JODIIJQNKCJXKJ-MNOVXSKESA-N -1 1 265.328 3.230 20 0 CGADMM COc1cc(C)c(NC(=O)c2ccc([O-])cc2F)cc1C ZINC000335686419 375345988 /nfs/dbraw/zinc/34/59/88/375345988.db2.gz NSAQIIUYMBUSAB-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM O=C(Nc1ccsc1Cl)c1ccc([O-])cc1F ZINC000189511940 375400838 /nfs/dbraw/zinc/40/08/38/375400838.db2.gz LJBNHNYTUHYOFE-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM CC1(C)CN(C(=O)c2cc(Cl)ccc2[O-])CC(C)(C)O1 ZINC000189650161 375429281 /nfs/dbraw/zinc/42/92/81/375429281.db2.gz VWLCXAQBBSRHFH-UHFFFAOYSA-N -1 1 297.782 3.075 20 0 CGADMM CCOc1cc(C(=O)N2C[C@H](C)C[C@@H]2C)cc(Cl)c1[O-] ZINC000335815098 375453185 /nfs/dbraw/zinc/45/31/85/375453185.db2.gz TZZPIIFHTXZNDS-ZJUUUORDSA-N -1 1 297.782 3.315 20 0 CGADMM CC(C)C1(C)CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000190333255 375496035 /nfs/dbraw/zinc/49/60/35/375496035.db2.gz JSTPFWXHYSUBQK-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM CCC1(CC)CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000190622926 375525487 /nfs/dbraw/zinc/52/54/87/375525487.db2.gz QJJMOQOLUFZTQW-UHFFFAOYSA-N -1 1 276.380 3.220 20 0 CGADMM NC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000336043251 375642182 /nfs/dbraw/zinc/64/21/82/375642182.db2.gz UJAKPLNQGFQYTK-DTWKUNHWSA-N -1 1 296.754 3.326 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ocnc1C1CC1 ZINC000336099343 375685393 /nfs/dbraw/zinc/68/53/93/375685393.db2.gz LPZQOFWTMQILHJ-UHFFFAOYSA-N -1 1 278.695 3.163 20 0 CGADMM C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226398476 376358010 /nfs/dbraw/zinc/35/80/10/376358010.db2.gz OWFSWHKJCXGAOK-MWLCHTKSSA-N -1 1 285.746 3.337 20 0 CGADMM O=C(NC[C@@H]1CCSC1)c1cc2ccccc2cc1[O-] ZINC000228578347 376442440 /nfs/dbraw/zinc/44/24/40/376442440.db2.gz MTOLHWVQKOARIS-NSHDSACASA-N -1 1 287.384 3.028 20 0 CGADMM C[C@@H]1CN(Cc2cccc(Cl)c2Cl)C[C@H]1C(=O)[O-] ZINC000235369894 376639953 /nfs/dbraw/zinc/63/99/53/376639953.db2.gz GXSOPYBQFYWEBZ-PSASIEDQSA-N -1 1 288.174 3.146 20 0 CGADMM COc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)cc(Cl)c1[O-] ZINC000135067677 542086048 /nfs/dbraw/zinc/08/60/48/542086048.db2.gz JAHBGAOBJRSHOQ-NXEZZACHSA-N -1 1 297.782 3.457 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(-c2cnco2)cc1 ZINC000340329685 377004623 /nfs/dbraw/zinc/00/46/23/377004623.db2.gz UEZGAADVFITZNQ-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(C2CC2)cn1 ZINC000340331401 377007897 /nfs/dbraw/zinc/00/78/97/377007897.db2.gz WHARHXPLUBSJJH-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM Cc1cc2cc(CNC(C)(C)C(=O)[O-])oc2cc1C ZINC000340677752 377208369 /nfs/dbraw/zinc/20/83/69/377208369.db2.gz KHZFABDLSZWCAO-UHFFFAOYSA-N -1 1 261.321 3.002 20 0 CGADMM Cc1ccsc1CN(C)Cc1csc(C(=O)[O-])c1 ZINC000563276983 377430734 /nfs/dbraw/zinc/43/07/34/377430734.db2.gz AMSUNXXMCZLOOD-UHFFFAOYSA-N -1 1 281.402 3.448 20 0 CGADMM CC[C@@H](F)CN1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000563456532 377469818 /nfs/dbraw/zinc/46/98/18/377469818.db2.gz WAFMGFLMAPLJBN-RDBSUJKOSA-N -1 1 265.328 3.025 20 0 CGADMM O=C([O-])C[C@H]1CCCCN1Cc1ccc(Cl)cc1F ZINC000162541632 542165069 /nfs/dbraw/zinc/16/50/69/542165069.db2.gz QQSJMRFEMQYEBM-GFCCVEGCSA-N -1 1 285.746 3.308 20 0 CGADMM O=C(Nc1cccc(Cl)c1O)c1c([O-])cccc1F ZINC000185627818 249056794 /nfs/dbraw/zinc/05/67/94/249056794.db2.gz QMUOPMWCPOPYNF-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM CCN(C(=O)c1ccc([O-])cc1F)[C@H](C)C(C)C ZINC000515556958 249215813 /nfs/dbraw/zinc/21/58/13/249215813.db2.gz RBIXZZNJYDJBSJ-SNVBAGLBSA-N -1 1 253.317 3.038 20 0 CGADMM C[C@H](CC(=O)[O-])[N@@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000516982175 249253238 /nfs/dbraw/zinc/25/32/38/249253238.db2.gz WTQSHVGNNHEXKJ-SECBINFHSA-N -1 1 296.417 3.167 20 0 CGADMM C[C@H](CC(=O)[O-])N(C)Cc1csc(-c2ccsc2)n1 ZINC000516982175 249253242 /nfs/dbraw/zinc/25/32/42/249253242.db2.gz WTQSHVGNNHEXKJ-SECBINFHSA-N -1 1 296.417 3.167 20 0 CGADMM C[C@@H](CC(=O)[O-])N(C)Cc1nc(C2CCCCC2)cs1 ZINC000574412637 377659752 /nfs/dbraw/zinc/65/97/52/377659752.db2.gz CHKLSZAHIZGYQM-NSHDSACASA-N -1 1 296.436 3.486 20 0 CGADMM [O-]c1cccnc1CN(Cc1c(F)cccc1F)C1CC1 ZINC000574240413 377638249 /nfs/dbraw/zinc/63/82/49/377638249.db2.gz MPZMKWISSPQWPZ-UHFFFAOYSA-N -1 1 290.313 3.230 20 0 CGADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2c(F)cccc2Cl)C1 ZINC000263138260 377920696 /nfs/dbraw/zinc/92/06/96/377920696.db2.gz DJZMARHQRFLQMD-NXEZZACHSA-N -1 1 285.746 3.022 20 0 CGADMM CCCCc1nc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cs1 ZINC000263381661 377931022 /nfs/dbraw/zinc/93/10/22/377931022.db2.gz XJJKLYKZUREXBF-VXGBXAGGSA-N -1 1 296.436 3.028 20 0 CGADMM Cc1cc2cc(CN(CC(=O)[O-])C(C)C)oc2cc1C ZINC000263468708 377939047 /nfs/dbraw/zinc/93/90/47/377939047.db2.gz DCRSXFFZJVNIOK-UHFFFAOYSA-N -1 1 275.348 3.345 20 0 CGADMM O=C([O-])c1coc(CN2CCC[C@@H]2c2ccsc2)c1 ZINC000578018883 378030699 /nfs/dbraw/zinc/03/06/99/378030699.db2.gz AELQIZOSFOVYFV-CYBMUJFWSA-N -1 1 277.345 3.376 20 0 CGADMM Cc1nc(-c2ccc(N[C@@H]3CCC3(C)C)nc2)[n-]c(=O)c1C ZINC000343798416 378094947 /nfs/dbraw/zinc/09/49/47/378094947.db2.gz VYWFEAXEMVDENO-CYBMUJFWSA-N -1 1 298.390 3.462 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](F)C1 ZINC000580088287 378223144 /nfs/dbraw/zinc/22/31/44/378223144.db2.gz OCBFJGURYUBJLU-GFCCVEGCSA-N -1 1 273.307 3.120 20 0 CGADMM Cc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])co2)o1 ZINC000582186789 378291737 /nfs/dbraw/zinc/29/17/37/378291737.db2.gz QYGYUULMXYRFSP-ZDUSSCGKSA-N -1 1 275.304 3.216 20 0 CGADMM Cc1ccc([C@@H]2CCCN2Cc2ccoc2C(=O)[O-])o1 ZINC000583818271 378350500 /nfs/dbraw/zinc/35/05/00/378350500.db2.gz UIEHUPCSVVJPEO-LBPRGKRZSA-N -1 1 275.304 3.216 20 0 CGADMM C[N@@H+](Cc1cc(O)cc(F)c1)[C@H](CCO)c1ccccc1 ZINC000274558594 378851119 /nfs/dbraw/zinc/85/11/19/378851119.db2.gz JSZARTHNNGITMV-QGZVFWFLSA-N -1 1 289.350 3.087 20 0 CGADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000370664303 379048331 /nfs/dbraw/zinc/04/83/31/379048331.db2.gz DXKKMJDGYJVFOL-JTQLQIEISA-N -1 1 279.767 3.450 20 0 CGADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc(F)cc1[O-] ZINC000347547686 218269548 /nfs/dbraw/zinc/26/95/48/218269548.db2.gz POPOGIFXZKDAKC-NXEZZACHSA-N -1 1 251.301 3.296 20 0 CGADMM [O-]c1ccc(-c2noc(COC3CCCC3)n2)cc1F ZINC000277893750 379259977 /nfs/dbraw/zinc/25/99/77/379259977.db2.gz DBMUYVUOJXYTQO-UHFFFAOYSA-N -1 1 278.283 3.041 20 0 CGADMM C[C@H]1CC(=O)CC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000278212871 379319331 /nfs/dbraw/zinc/31/93/31/379319331.db2.gz QIVJAKLNEGBIHW-GZMMTYOYSA-N -1 1 290.294 3.054 20 0 CGADMM CS[C@@H](C)Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278227901 379321928 /nfs/dbraw/zinc/32/19/28/379321928.db2.gz RJTXDBFHYLHHTG-ZETCQYMHSA-N -1 1 284.768 3.390 20 0 CGADMM [O-]c1ccc(-c2noc(CC3CCOCC3)n2)c(Cl)c1 ZINC000278318637 379346073 /nfs/dbraw/zinc/34/60/73/379346073.db2.gz YQUGRMKWJHMPQK-UHFFFAOYSA-N -1 1 294.738 3.065 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000349942645 379453970 /nfs/dbraw/zinc/45/39/70/379453970.db2.gz BSUVAMBEJWHMTH-UHFFFAOYSA-N -1 1 267.375 3.111 20 0 CGADMM CCOc1cc(C(=O)NCCC2(C)CC2)cc(Cl)c1[O-] ZINC000280032810 379586544 /nfs/dbraw/zinc/58/65/44/379586544.db2.gz NVQGWSBCYCTFLY-UHFFFAOYSA-N -1 1 297.782 3.364 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N(CC1CC1)CC1CCC1 ZINC000280217833 379643483 /nfs/dbraw/zinc/64/34/83/379643483.db2.gz YFPBLDAWJQKBAS-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000377382336 379665423 /nfs/dbraw/zinc/66/54/23/379665423.db2.gz KZCVFRSEINXDBN-FVMDXXJSSA-N -1 1 291.297 3.282 20 0 CGADMM Cc1cnc(SCCC2=CCCCC2)[n-]c1=O ZINC000570291751 322270186 /nfs/dbraw/zinc/27/01/86/322270186.db2.gz DTIUDPCWTHTZQQ-UHFFFAOYSA-N -1 1 250.367 3.473 20 0 CGADMM CC1=C[C@@H](C)CN(C(=O)N=c2[n-]sc3ccccc32)C1 ZINC000640339909 379769958 /nfs/dbraw/zinc/76/99/58/379769958.db2.gz ZPLPALUYYCAHLA-SNVBAGLBSA-N -1 1 287.388 3.148 20 0 CGADMM O=C(N=c1[n-]sc2ccccc21)N1C[C@@H]2CCCC[C@@H]21 ZINC000640337055 379771183 /nfs/dbraw/zinc/77/11/83/379771183.db2.gz FHXWQHHDXDJJRN-JQWIXIFHSA-N -1 1 287.388 3.125 20 0 CGADMM COC(=O)c1c[n-]c(SCCCC(C)(C)C)n1 ZINC000347779696 218353773 /nfs/dbraw/zinc/35/37/73/218353773.db2.gz QQBZIFPFSGLZFL-UHFFFAOYSA-N -1 1 256.371 3.115 20 0 CGADMM CCC(CC)N(CC)C(=O)c1ccc([O-])c(F)c1 ZINC000644534106 380440415 /nfs/dbraw/zinc/44/04/15/380440415.db2.gz XQXBJSSJWKIFMD-UHFFFAOYSA-N -1 1 253.317 3.182 20 0 CGADMM O=C([O-])[C@H](NCc1cccc(Cl)c1)c1ccccc1F ZINC000354357749 380411600 /nfs/dbraw/zinc/41/16/00/380411600.db2.gz MPASEASYTGWGLQ-CQSZACIVSA-N -1 1 293.725 3.395 20 0 CGADMM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1ccc([O-])c(F)c1 ZINC000644851321 380530664 /nfs/dbraw/zinc/53/06/64/380530664.db2.gz RDPRFGLSZHNULZ-WCQYABFASA-N -1 1 277.339 3.230 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)CCC(C)C)[nH][n-]2)s1 ZINC000354801063 380555529 /nfs/dbraw/zinc/55/55/29/380555529.db2.gz RFQLJKDODROPMF-UHFFFAOYSA-N -1 1 277.393 3.243 20 0 CGADMM CCc1coc(NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000646080522 380823732 /nfs/dbraw/zinc/82/37/32/380823732.db2.gz DQOWMBXPYBVLSC-UHFFFAOYSA-N -1 1 274.320 3.318 20 0 CGADMM C[C@H]([N-]C(=O)C(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000279359760 194399713 /nfs/dbraw/zinc/39/97/13/194399713.db2.gz VDTCAANXIDAPFD-LURJTMIESA-N -1 1 283.196 3.028 20 0 CGADMM CC1(C)CCC[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000357643279 381236859 /nfs/dbraw/zinc/23/68/59/381236859.db2.gz ZRVCBKAVASNKGD-JTQLQIEISA-N -1 1 251.301 3.296 20 0 CGADMM CCCc1nc(-c2nc(=O)c3c(C)csc3[n-]2)co1 ZINC000281096517 195102209 /nfs/dbraw/zinc/10/22/09/195102209.db2.gz VOXJOQKEIIJBTQ-UHFFFAOYSA-N -1 1 275.333 3.313 20 0 CGADMM CC(C)O[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000335393597 208360339 /nfs/dbraw/zinc/36/03/39/208360339.db2.gz QXZQGSUZTRLSDO-CQSZACIVSA-N -1 1 299.370 3.185 20 0 CGADMM Cc1ccc(C(F)(F)C(=O)[N-][C@H](C)C(F)(F)F)cc1 ZINC000288757327 197159633 /nfs/dbraw/zinc/15/96/33/197159633.db2.gz ZSKXKPLTNPXUPY-MRVPVSSYSA-N -1 1 281.224 3.154 20 0 CGADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1cccc(O)c1 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CCC(CC)N(CCOC)C(=O)c1ccc(Cl)cc1[O-] ZINC000048194240 391994947 /nfs/dbraw/zinc/99/49/47/391994947.db2.gz XNSIXEUICSNBIB-UHFFFAOYSA-N -1 1 299.798 3.323 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000048652394 392007271 /nfs/dbraw/zinc/00/72/71/392007271.db2.gz MHEAXACUNWJTMQ-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM Cc1ncsc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000071213708 392189720 /nfs/dbraw/zinc/18/97/20/392189720.db2.gz QAGKQKAQTVBCHJ-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1C ZINC000091439026 392230908 /nfs/dbraw/zinc/23/09/08/392230908.db2.gz SEYCNQFSJWEECS-VXGBXAGGSA-N -1 1 269.344 3.273 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](C2CC2)C1 ZINC000362026043 392391210 /nfs/dbraw/zinc/39/12/10/392391210.db2.gz VCSBQCNUTYQRMI-SNVBAGLBSA-N -1 1 299.292 3.283 20 0 CGADMM CC(C)N(C(=O)c1cc2ccccc2cc1[O-])[C@@H]1CCOC1 ZINC000291810923 392486297 /nfs/dbraw/zinc/48/62/97/392486297.db2.gz XYISUASABAWWJF-OAHLLOKOSA-N -1 1 299.370 3.185 20 0 CGADMM CCC(=O)[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000185835376 392775046 /nfs/dbraw/zinc/77/50/46/392775046.db2.gz PMHIVJFXIIRXJH-GFCCVEGCSA-N -1 1 295.766 3.019 20 0 CGADMM CCc1cc(=O)n(-c2ccc(OC(F)(F)F)cc2)[n-]1 ZINC000196208522 392975471 /nfs/dbraw/zinc/97/54/71/392975471.db2.gz CHHLJQXBJSIBAQ-UHFFFAOYSA-N -1 1 272.226 3.088 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2c([O-])cccc2F)o1 ZINC000548122109 393176695 /nfs/dbraw/zinc/17/66/95/393176695.db2.gz AWBHEWIBQCDEEB-MWLCHTKSSA-N -1 1 289.306 3.178 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC000416285675 393292516 /nfs/dbraw/zinc/29/25/16/393292516.db2.gz HTTCUDCQIHHBBG-OLZOCXBDSA-N -1 1 290.407 3.382 20 0 CGADMM CN(C(=O)c1cncc([O-])c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416299188 393296978 /nfs/dbraw/zinc/29/69/78/393296978.db2.gz ZYNUKVHEGZTJFN-KBPBESRZSA-N -1 1 276.380 3.074 20 0 CGADMM CC(C)(NC(=O)c1ccc([O-])c(F)c1)c1ccccc1F ZINC000647024499 393332824 /nfs/dbraw/zinc/33/28/24/393332824.db2.gz 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543519187 /nfs/dbraw/zinc/51/91/87/543519187.db2.gz QPYXSTLDVSDKKP-UHFFFAOYSA-N -1 1 265.309 3.408 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000558807513 289521257 /nfs/dbraw/zinc/52/12/57/289521257.db2.gz KBRUBXXPGUTJNI-IAZYJMLFSA-N -1 1 282.409 3.183 20 0 CGADMM O=C(NCc1cccs1)c1ccc(Cl)cc1[O-] ZINC000037466929 286885575 /nfs/dbraw/zinc/88/55/75/286885575.db2.gz LSRJUSVTLWGVNU-UHFFFAOYSA-N -1 1 267.737 3.037 20 0 CGADMM CC(C)OCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000078797721 287051984 /nfs/dbraw/zinc/05/19/84/287051984.db2.gz XWAVAQWFFIOGDW-UHFFFAOYSA-N -1 1 287.359 3.090 20 0 CGADMM CO[C@H](C)c1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000080023286 287062580 /nfs/dbraw/zinc/06/25/80/287062580.db2.gz IRTLGOUGOWOCBY-SNVBAGLBSA-N -1 1 289.306 3.491 20 0 CGADMM O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1ccccc1 ZINC000074829578 165093807 /nfs/dbraw/zinc/09/38/07/165093807.db2.gz SUTGRANKIJMFKJ-UHFFFAOYSA-N -1 1 298.367 3.278 20 0 CGADMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 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ZINC000048653034 416456449 /nfs/dbraw/zinc/45/64/49/416456449.db2.gz ZLGONOIWEAKSNB-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=C(OCc1ccon1)c1ccc(Cl)c(Cl)c1[O-] ZINC000744974881 572786435 /nfs/dbraw/zinc/78/64/35/572786435.db2.gz CPLQEYHQDBZISM-UHFFFAOYSA-N -1 1 288.086 3.044 20 0 CGADMM CCOc1cc(C(=O)N[C@@H](C)C2CCC2)cc(Cl)c1[O-] ZINC000680817656 543736628 /nfs/dbraw/zinc/73/66/28/543736628.db2.gz RKGANRKKUIPSBA-VIFPVBQESA-N -1 1 297.782 3.363 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCc2cc(F)c(F)cc21 ZINC000681019938 543757451 /nfs/dbraw/zinc/75/74/51/543757451.db2.gz ONGZNWWFZLNAKD-UHFFFAOYSA-N -1 1 293.244 3.012 20 0 CGADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@H]1CCc2ccccc21 ZINC000681017154 543757911 /nfs/dbraw/zinc/75/79/11/543757911.db2.gz WFZLDUWOYRYKCQ-HNNXBMFYSA-N -1 1 285.318 3.291 20 0 CGADMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([O-])c(F)c1)CC2 ZINC000681043655 543759472 /nfs/dbraw/zinc/75/94/72/543759472.db2.gz QGOOTWDTIPZLAR-OAHLLOKOSA-N -1 1 285.318 3.257 20 0 CGADMM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681046055 543760284 /nfs/dbraw/zinc/76/02/84/543760284.db2.gz FGQVPFFYDBCYHG-MGPLVRAMSA-N -1 1 285.318 3.195 20 0 CGADMM CC[C@H](C)CN(CC)C(=O)c1ccc([O-])c(F)c1 ZINC000681051501 543761436 /nfs/dbraw/zinc/76/14/36/543761436.db2.gz DDIBZGYYIONAGL-JTQLQIEISA-N -1 1 253.317 3.040 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(F)c1F ZINC000681066684 543763202 /nfs/dbraw/zinc/76/32/02/543763202.db2.gz RCONAACLSFEBCA-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM CC(C)[C@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000682021863 543815668 /nfs/dbraw/zinc/81/56/68/543815668.db2.gz XNEPUYRJFCBTGX-LBPRGKRZSA-N -1 1 265.328 3.040 20 0 CGADMM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1ncccc1[O-] ZINC000681738640 543804821 /nfs/dbraw/zinc/80/48/21/543804821.db2.gz ASOXQOURDBJVCZ-QGZVFWFLSA-N -1 1 296.370 3.183 20 0 CGADMM COc1cc(-c2nc(C3CCC3)no2)cc(Cl)c1[O-] ZINC000682379112 543838696 /nfs/dbraw/zinc/83/86/96/543838696.db2.gz XEJWEPCDBXSWEL-UHFFFAOYSA-N -1 1 280.711 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335276039 /nfs/dbraw/zinc/27/60/39/335276039.db2.gz XLLSXCGXDGDILD-UHFFFAOYSA-N -1 1 273.332 3.042 20 0 CGADMM C[N@@H+](CCCc1ccccc1)Cc1cc(C(=O)[O-])co1 ZINC000581136877 336014264 /nfs/dbraw/zinc/01/42/64/336014264.db2.gz GUYGYCDDZALRLY-UHFFFAOYSA-N -1 1 273.332 3.042 20 0 CGADMM Cc1cc(NC(=O)c2cncc([O-])c2)ccc1C(F)(F)F ZINC000174671838 533996336 /nfs/dbraw/zinc/99/63/36/533996336.db2.gz NQUZILNAGKHRMK-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM Cc1ccc(CN[C@@H](CCCc2ccccc2)C(=O)[O-])o1 ZINC000426793162 534081335 /nfs/dbraw/zinc/08/13/35/534081335.db2.gz MHWWSQRPNZHWEO-INIZCTEOSA-N -1 1 287.359 3.154 20 0 CGADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1c([O-])cccc1F ZINC000436943981 534419145 /nfs/dbraw/zinc/41/91/45/534419145.db2.gz LBJIUNAZKOHCAD-CQSZACIVSA-N -1 1 285.318 3.257 20 0 CGADMM [O-]c1ccc(-c2noc(-c3occ4c3CCC4)n2)cc1F ZINC000436879016 534451819 /nfs/dbraw/zinc/45/18/19/534451819.db2.gz LXNROAAYUYFANJ-UHFFFAOYSA-N -1 1 286.262 3.330 20 0 CGADMM CC[C@H](C)Oc1ccc(NC(=O)c2cncc([O-])c2)cc1 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CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(F)ccc2[O-])C1 ZINC000162870388 529232696 /nfs/dbraw/zinc/23/26/96/529232696.db2.gz OUZRHXQAZZBDOE-NEPJUHHUSA-N -1 1 297.395 3.278 20 0 CGADMM O=C([O-])c1coc(CNC2(c3ccc(F)cc3)CCC2)c1 ZINC000740268066 571741730 /nfs/dbraw/zinc/74/17/30/571741730.db2.gz PHKIWGMXVRGSRF-UHFFFAOYSA-N -1 1 289.306 3.286 20 0 CGADMM CCO[C@@H](CC)c1noc(-c2ccc([O-])cc2F)n1 ZINC000232390340 571802692 /nfs/dbraw/zinc/80/26/92/571802692.db2.gz DKBAWEWXNNAERB-NSHDSACASA-N -1 1 266.272 3.069 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@H](C)C2CC2)c1 ZINC000744868434 572467055 /nfs/dbraw/zinc/46/70/55/572467055.db2.gz XYFOVBHNVSEGTE-NSHDSACASA-N -1 1 290.359 3.117 20 0 CGADMM Cc1ccccc1[C@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000732662400 572476013 /nfs/dbraw/zinc/47/60/13/572476013.db2.gz PSRLEXMVRYJNRG-LLVKDONJSA-N -1 1 259.271 3.371 20 0 CGADMM Cc1noc(C)c1[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000733806994 572605006 /nfs/dbraw/zinc/60/50/06/572605006.db2.gz PPDAMTORSGWRBD-SSDOTTSWSA-N -1 1 294.738 3.141 20 0 CGADMM Cc1cccc(F)c1CNC(=O)c1c([O-])cccc1Cl ZINC000743722724 572681108 /nfs/dbraw/zinc/68/11/08/572681108.db2.gz STFNBLPKYPEKCF-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM CCC/C(C)=C\C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744861413 572780107 /nfs/dbraw/zinc/78/01/07/572780107.db2.gz IGPBOMAJZDFNNN-BENRWUELSA-N -1 1 290.359 3.427 20 0 CGADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])co2)Cc2ccccc21 ZINC000736806723 572815466 /nfs/dbraw/zinc/81/54/66/572815466.db2.gz DUBOXPZRRJQGIH-LLVKDONJSA-N -1 1 271.316 3.097 20 0 CGADMM CCO[C@@H](CCNC(=O)c1c([O-])cccc1Cl)C(C)C ZINC000746410284 572870428 /nfs/dbraw/zinc/87/04/28/572870428.db2.gz XXXYYFJNTWQSQH-ZDUSSCGKSA-N -1 1 299.798 3.227 20 0 CGADMM O=C([O-])C1CCC(N[C@H](Cc2ccccc2)C(F)F)CC1 ZINC000821494340 598164120 /nfs/dbraw/zinc/16/41/20/598164120.db2.gz BZOOGPIICRQPTI-JXQTWKCFSA-N -1 1 297.345 3.096 20 0 CGADMM CC(C)(CC(=O)[N-]OCC(F)F)C1CCCCC1 ZINC000793812535 629502723 /nfs/dbraw/zinc/50/27/23/629502723.db2.gz AWSSEBFNUDOLMK-UHFFFAOYSA-N -1 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ZLCTZXGJFINNJO-MEDUHNTESA-N -1 1 294.395 3.095 20 0 CGADMM CC(C)(C)C[C@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)[O-] ZINC000833430399 605150345 /nfs/dbraw/zinc/15/03/45/605150345.db2.gz WJSKTEHQXKVVGN-QMMMGPOBSA-N -1 1 285.413 3.084 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cnccc1C ZINC000833680520 605271543 /nfs/dbraw/zinc/27/15/43/605271543.db2.gz KPFFUZVHRYJRMF-NSHDSACASA-N -1 1 288.347 3.094 20 0 CGADMM CCCC[C@H](CNC(=O)[O-])N[C@H](C)c1nc(C)sc1C ZINC000826806985 605513476 /nfs/dbraw/zinc/51/34/76/605513476.db2.gz SCILVRJLQLWDBD-BXKDBHETSA-N -1 1 299.440 3.237 20 0 CGADMM CCC[C@H](C)CC(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067074658 617610745 /nfs/dbraw/zinc/61/07/45/617610745.db2.gz WITKFPQKDKSTSR-NSHDSACASA-N -1 1 298.456 3.007 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cccnc2Cl)n1 ZINC000052727737 618080107 /nfs/dbraw/zinc/08/01/07/618080107.db2.gz CNNOXLSJPMZXET-UHFFFAOYSA-N -1 1 295.795 3.063 20 0 CGADMM CS[C@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000075178363 618765646 /nfs/dbraw/zinc/76/56/46/618765646.db2.gz SLIAXJNPTDYGFR-UWVGGRQHSA-N -1 1 285.796 3.060 20 0 CGADMM O=C(Nc1cccc2cnccc21)c1ccc([O-])cc1F ZINC000161692220 618843710 /nfs/dbraw/zinc/84/37/10/618843710.db2.gz MDJUZKGIACFGDY-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CSc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])o1 ZINC000188353288 619084744 /nfs/dbraw/zinc/08/47/44/619084744.db2.gz ZNFSODIEJJQGIJ-UHFFFAOYSA-N -1 1 284.724 3.008 20 0 CGADMM Oc1ccc(F)c(C[N@@H+]2CC[C@H](c3nccs3)C2)c1F ZINC000895583889 619854689 /nfs/dbraw/zinc/85/46/89/619854689.db2.gz ZWKZJNWADWXRSC-VIFPVBQESA-N -1 1 296.342 3.116 20 0 CGADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897989564 620462751 /nfs/dbraw/zinc/46/27/51/620462751.db2.gz OBDYTQRNGUEEAM-GRYCIOLGSA-N -1 1 299.370 3.368 20 0 CGADMM CCc1ccc([C@H](C)C(=O)[N-]OCc2cccc(C)n2)cc1 ZINC000898934734 620610471 /nfs/dbraw/zinc/61/04/71/620610471.db2.gz ASEDYEKMJXUKBB-AWEZNQCLSA-N -1 1 298.386 3.304 20 0 CGADMM O=C([O-])CCN(Cc1ccoc1)Cc1ccc(F)c(F)c1 ZINC000901654996 620967895 /nfs/dbraw/zinc/96/78/95/620967895.db2.gz JNIRSIZZJWGXTN-UHFFFAOYSA-N -1 1 295.285 3.035 20 0 CGADMM Cc1ccoc1CN[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000901772458 621018995 /nfs/dbraw/zinc/01/89/95/621018995.db2.gz OOHHYOLLTYVNGX-ZDUSSCGKSA-N -1 1 265.353 3.101 20 0 CGADMM C[C@H]1CCN(Cc2cc3cc(F)ccc3o2)[C@H](C(=O)[O-])C1 ZINC000902011847 621099609 /nfs/dbraw/zinc/09/96/09/621099609.db2.gz NFXIKIPMGSNHMI-HZMBPMFUSA-N -1 1 291.322 3.257 20 0 CGADMM CCc1oc(CN(C)Cc2ccccc2C)cc1C(=O)[O-] ZINC000902062126 621134304 /nfs/dbraw/zinc/13/43/04/621134304.db2.gz BMQLEPGFIMVVJZ-UHFFFAOYSA-N -1 1 287.359 3.481 20 0 CGADMM CCOc1cccc([C@H](C)NCc2ccoc2C(=O)[O-])c1 ZINC000902166331 621181991 /nfs/dbraw/zinc/18/19/91/621181991.db2.gz UXZFXVGIOLKVCU-NSHDSACASA-N -1 1 289.331 3.227 20 0 CGADMM O=C([O-])c1coc(CN[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000902173470 621184703 /nfs/dbraw/zinc/18/47/03/621184703.db2.gz UGMKJRWYBIBJDX-CQSZACIVSA-N -1 1 291.734 3.408 20 0 CGADMM CSc1ccc(CNCc2cc(C(=O)[O-])oc2C)cc1 ZINC000902329280 621265953 /nfs/dbraw/zinc/26/59/53/621265953.db2.gz KHNFKVDDMIUMCR-UHFFFAOYSA-N -1 1 291.372 3.298 20 0 CGADMM Cc1cc([C@H](C)[N@H+]2CCC[C@H](CF)C2)oc1C(=O)[O-] ZINC000903608571 621771207 /nfs/dbraw/zinc/77/12/07/621771207.db2.gz XAWWYEXSURKKDB-WDEREUQCSA-N -1 1 269.316 3.029 20 0 CGADMM O=C([O-])c1coc(CN2C[C@@H]3CC[C@H]2c2ccccc23)c1 ZINC000903621500 621776395 /nfs/dbraw/zinc/77/63/95/621776395.db2.gz XMVKKLOUBCUYAC-ZBEGNZNMSA-N -1 1 283.327 3.412 20 0 CGADMM CCc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)o1 ZINC000904042108 621858524 /nfs/dbraw/zinc/85/85/24/621858524.db2.gz AUJHIKMVHPAZEP-MRXNPFEDSA-N -1 1 287.359 3.456 20 0 CGADMM CC[C@H](NCc1ccccc1C1CC1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065633 621862306 /nfs/dbraw/zinc/86/23/06/621862306.db2.gz UNJNNZHCYNGFHL-AWEZNQCLSA-N -1 1 299.374 3.226 20 0 CGADMM O=C([O-])[C@H](NCc1ccc(-c2ccccc2)o1)C1CCC1 ZINC000904047467 621862921 /nfs/dbraw/zinc/86/29/21/621862921.db2.gz DVBRPSCMDFPXFB-MRXNPFEDSA-N -1 1 285.343 3.290 20 0 CGADMM Cc1cc(C)cc([C@H](C)NCc2ccc(C(=O)[O-])cn2)c1 ZINC000905725475 622100561 /nfs/dbraw/zinc/10/05/61/622100561.db2.gz UJHVECNXEXDRSZ-ZDUSSCGKSA-N -1 1 284.359 3.247 20 0 CGADMM O=C([O-])c1ccc(CNCc2ccc(C3CCC3)cc2)nc1 ZINC000905727230 622100950 /nfs/dbraw/zinc/10/09/50/622100950.db2.gz HXWYRMRHRSGDLC-UHFFFAOYSA-N -1 1 296.370 3.337 20 0 CGADMM CC(C)c1cccc(CNCc2ccc(C(=O)[O-])cn2)c1 ZINC000905726026 622101164 /nfs/dbraw/zinc/10/11/64/622101164.db2.gz DLSSPQNEULVNFG-UHFFFAOYSA-N -1 1 284.359 3.193 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCOC2(CCCC2)C1 ZINC000907145439 622282535 /nfs/dbraw/zinc/28/25/35/622282535.db2.gz LDOURFULGBORAV-LLVKDONJSA-N -1 1 293.338 3.209 20 0 CGADMM CCCCC(=O)Nc1cccc([O-])c1Br ZINC000908713814 622369857 /nfs/dbraw/zinc/36/98/57/622369857.db2.gz CEQXEWFZCRIWLS-UHFFFAOYSA-N -1 1 272.142 3.283 20 0 CGADMM CCn1c(C)cc(C(=O)Nc2cc([O-])c(F)cc2F)c1C ZINC000909975072 622439663 /nfs/dbraw/zinc/43/96/63/622439663.db2.gz OFDGWHNCEHSAQB-UHFFFAOYSA-N -1 1 294.301 3.361 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C1(C(F)F)CCC1 ZINC000909973335 622440400 /nfs/dbraw/zinc/44/04/00/622440400.db2.gz XBQOTLYDKHXZQC-UHFFFAOYSA-N -1 1 277.217 3.044 20 0 CGADMM CC1(C(=O)Nc2cc([O-])c(F)cc2F)CCCC1 ZINC000909979741 622440726 /nfs/dbraw/zinc/44/07/26/622440726.db2.gz UDIABMMONXDBNB-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM C[C@]1(C(=O)Nc2cc([O-])c(F)cc2F)C[C@H]2C[C@H]2C1 ZINC000909987541 622443224 /nfs/dbraw/zinc/44/32/24/622443224.db2.gz XXKAPBVZXYQNEW-ATTMTXSRSA-N -1 1 267.275 3.045 20 0 CGADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909980685 622443739 /nfs/dbraw/zinc/44/37/39/622443739.db2.gz CWPLEXRGHHVFIC-OTYXRUKQSA-N -1 1 299.317 3.204 20 0 CGADMM Cc1cc(C(=O)Nc2cc([O-])c(F)cc2F)nn1C(C)C ZINC000909987644 622444592 /nfs/dbraw/zinc/44/45/92/622444592.db2.gz AQGAAEQKQOGTJU-UHFFFAOYSA-N -1 1 295.289 3.009 20 0 CGADMM CCc1csc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])n1 ZINC000910728429 622500169 /nfs/dbraw/zinc/50/01/69/622500169.db2.gz DGBTUHCSZRIXPC-MRVPVSSYSA-N -1 1 294.351 3.041 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCC[C@H]2C[C@H]21 ZINC000910986779 622513266 /nfs/dbraw/zinc/51/32/66/622513266.db2.gz NHIFDRDZTDMYTK-FXBDTBDDSA-N -1 1 267.275 3.045 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCCCCC(=O)C1 ZINC000910986435 622513279 /nfs/dbraw/zinc/51/32/79/622513279.db2.gz GVIXUQIIPPATDY-SECBINFHSA-N -1 1 297.301 3.148 20 0 CGADMM CC(C)(C)OCCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910987839 622513295 /nfs/dbraw/zinc/51/32/95/622513295.db2.gz NVVDZKUDLULPKA-UHFFFAOYSA-N -1 1 287.306 3.204 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000910986780 622513659 /nfs/dbraw/zinc/51/36/59/622513659.db2.gz NHIFDRDZTDMYTK-QNSHHTMESA-N -1 1 267.275 3.045 20 0 CGADMM Cc1ncc(CSC[C@@H](C)C(=O)c2ccc([O-])cc2)o1 ZINC000912431779 622649397 /nfs/dbraw/zinc/64/93/97/622649397.db2.gz KYUREEVJDRCZHW-SNVBAGLBSA-N -1 1 291.372 3.441 20 0 CGADMM Cc1ccc([C@H](C)NC(=O)c2c([O-])cccc2F)s1 ZINC000228840277 623080711 /nfs/dbraw/zinc/08/07/11/623080711.db2.gz FVUOFGOCFVRPEZ-VIFPVBQESA-N -1 1 279.336 3.392 20 0 CGADMM C/C(=C(\F)C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000913801548 623586783 /nfs/dbraw/zinc/58/67/83/623586783.db2.gz XMPFRCIEOGUANP-MDWZMJQESA-N -1 1 283.730 3.315 20 0 CGADMM CC(C)[C@@H](CC(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000766766778 624247489 /nfs/dbraw/zinc/24/74/89/624247489.db2.gz DWHYCURPAABUIS-GFCCVEGCSA-N -1 1 289.297 3.426 20 0 CGADMM Cc1[n-]n(-c2ccc(Cl)cc2Cl)c(=O)c1F ZINC000917347930 624261971 /nfs/dbraw/zinc/26/19/71/624261971.db2.gz OFEDWHOPZRVMSP-VIFPVBQESA-N -1 1 261.083 3.054 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2coc(C(C)(C)C)n2)n1 ZINC000917512082 624277640 /nfs/dbraw/zinc/27/76/40/624277640.db2.gz ATIIEWLIEVFYDA-UHFFFAOYSA-N -1 1 293.392 3.322 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c(C)c1 ZINC000180247994 624729823 /nfs/dbraw/zinc/72/98/23/624729823.db2.gz LSXOLAJMTLLPME-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM C[C@H](C(=O)[N-]OCc1ccc(F)cc1)c1ccccc1 ZINC000184169893 625207799 /nfs/dbraw/zinc/20/77/99/625207799.db2.gz LOWHOTVVSIUSJJ-LBPRGKRZSA-N -1 1 273.307 3.177 20 0 CGADMM CC(C)C[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000752631000 626434102 /nfs/dbraw/zinc/43/41/02/626434102.db2.gz PEMIKKNVHXAKJN-SECBINFHSA-N -1 1 255.745 3.210 20 0 CGADMM CC(C)Oc1ccccc1CNCc1ccccc1C(=O)[O-] ZINC000874045374 634508133 /nfs/dbraw/zinc/50/81/33/634508133.db2.gz TURGXPGGGAAHIT-UHFFFAOYSA-N -1 1 299.370 3.462 20 0 CGADMM Cc1cc(CN[C@H](C(=O)[O-])c2ccsc2)cnc1Cl ZINC000756359188 626695720 /nfs/dbraw/zinc/69/57/20/626695720.db2.gz BFBDZCNRPQZLFW-NSHDSACASA-N -1 1 296.779 3.020 20 0 CGADMM CC1(C)CC[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000805324046 627306791 /nfs/dbraw/zinc/30/67/91/627306791.db2.gz YATOSZBWEVUVQJ-LLVKDONJSA-N -1 1 287.281 3.329 20 0 CGADMM CC[C@H](CC(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000766770120 627359513 /nfs/dbraw/zinc/35/95/13/627359513.db2.gz VHDMUQNAMMOECI-SNVBAGLBSA-N -1 1 275.270 3.180 20 0 CGADMM Cc1cccc2c1CCN(C(=O)c1ccc([O-])c(F)c1)C2 ZINC000767966853 627447284 /nfs/dbraw/zinc/44/72/84/627447284.db2.gz WXNFXEAQKRQRNS-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H](F)c1ccccc1 ZINC000769613612 627569690 /nfs/dbraw/zinc/56/96/90/627569690.db2.gz QHWDPOIGQKLFND-CYBMUJFWSA-N -1 1 263.243 3.181 20 0 CGADMM CCC[C@@H](CC)NC(=O)c1c([O-])cccc1Cl ZINC000769727608 627574558 /nfs/dbraw/zinc/57/45/58/627574558.db2.gz LVUAQZNNEGCCOP-SECBINFHSA-N -1 1 255.745 3.354 20 0 CGADMM COc1cc(Cl)ccc1NC(=O)c1ccc([O-])cc1F ZINC000775357202 628085497 /nfs/dbraw/zinc/08/54/97/628085497.db2.gz SDSAHLSCKFYJTF-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)[N-]Oc1ccccc1F ZINC000874911835 634650744 /nfs/dbraw/zinc/65/07/44/634650744.db2.gz XCDXPBXJCDWIPW-TZMCWYRMSA-N -1 1 299.292 3.451 20 0 CGADMM O=C(OCCC1CC1)c1ccc(Br)c([O-])c1 ZINC000778826107 628374434 /nfs/dbraw/zinc/37/44/34/628374434.db2.gz HHCXRPJMQONWIT-UHFFFAOYSA-N -1 1 285.137 3.112 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1scnc1Cl ZINC000780991765 628529060 /nfs/dbraw/zinc/52/90/60/628529060.db2.gz MRSCQOZPNJJWLL-UHFFFAOYSA-N -1 1 289.143 3.408 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(C)(C)C2CC2)c1 ZINC000805702072 628590780 /nfs/dbraw/zinc/59/07/80/628590780.db2.gz ASOCUQJSZKXTGJ-UHFFFAOYSA-N -1 1 290.359 3.117 20 0 CGADMM COCC[C@@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000783531238 628722695 /nfs/dbraw/zinc/72/26/95/628722695.db2.gz BDLCNIFRSBLJHN-SSDOTTSWSA-N -1 1 293.146 3.281 20 0 CGADMM C/C(=C/C(=O)Nc1nc(Cl)ccc1[O-])C(C)(C)C ZINC000790057524 629181084 /nfs/dbraw/zinc/18/10/84/629181084.db2.gz YIBLVNMSQWNNQX-FPLPWBNLSA-N -1 1 268.744 3.372 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])C1CCCCCC1 ZINC000790064452 629181678 /nfs/dbraw/zinc/18/16/78/629181678.db2.gz ZKNBGGCLUZUVKK-UHFFFAOYSA-N -1 1 268.744 3.350 20 0 CGADMM CCCCCCO[C@H](C)C(=O)Nc1cccc(F)c1[O-] ZINC000863008421 629459525 /nfs/dbraw/zinc/45/95/25/629459525.db2.gz RDQIHTDVNDCPKH-LLVKDONJSA-N -1 1 283.343 3.455 20 0 CGADMM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1cccc(F)c1[O-] ZINC000863008608 629459829 /nfs/dbraw/zinc/45/98/29/629459829.db2.gz YKEDOQVHOIOZNP-MNOVXSKESA-N -1 1 283.343 3.047 20 0 CGADMM Cc1ccncc1CN(C)C(=O)c1c([O-])cccc1Cl ZINC000794197460 629521907 /nfs/dbraw/zinc/52/19/07/629521907.db2.gz CFWVXZOQWOAENZ-UHFFFAOYSA-N -1 1 290.750 3.021 20 0 CGADMM CCc1ccc([C@H](C)C(=O)[N-]OC[C@@H](C)CC)cc1 ZINC000794872856 629593373 /nfs/dbraw/zinc/59/33/73/629593373.db2.gz XNXLXPLCHRPAFM-STQMWFEESA-N -1 1 263.381 3.446 20 0 CGADMM CCc1nc(SC[C@@H]2CCC(C)(C)CO2)[n-]c(=O)c1C ZINC000865370515 630080783 /nfs/dbraw/zinc/08/07/83/630080783.db2.gz MLQFVDUAGNGQJX-NSHDSACASA-N -1 1 296.436 3.350 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCSC(C)C)n1 ZINC000800830198 630302646 /nfs/dbraw/zinc/30/26/46/630302646.db2.gz NQIQPPFWALMJIR-UHFFFAOYSA-N -1 1 272.439 3.368 20 0 CGADMM O=C(Cc1ccc(Cl)s1)[N-]OCc1ccc(F)cc1 ZINC000801102377 630324182 /nfs/dbraw/zinc/32/41/82/630324182.db2.gz OHVLQHWNMLRPIS-UHFFFAOYSA-N -1 1 299.754 3.331 20 0 CGADMM O=C(NCC1(C(F)(F)F)CC1)c1c([O-])cccc1Cl ZINC000804603527 630542205 /nfs/dbraw/zinc/54/22/05/630542205.db2.gz STDSGNLCDBVURV-UHFFFAOYSA-N -1 1 293.672 3.118 20 0 CGADMM CC[C@H](C)CN(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394074 634826397 /nfs/dbraw/zinc/82/63/97/634826397.db2.gz QAGOZQSNONFIBG-JTQLQIEISA-N -1 1 284.787 3.233 20 0 CGADMM CC[C@@H]1C[C@@H](C)CN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876393502 634826489 /nfs/dbraw/zinc/82/64/89/634826489.db2.gz IIIZWTOPGPCHHE-ZYHUDNBSSA-N -1 1 296.798 3.376 20 0 CGADMM C[C@H](N(C)C(=O)NCc1ccc([O-])c(Cl)c1)C1(C)CC1 ZINC000876392845 634826601 /nfs/dbraw/zinc/82/66/01/634826601.db2.gz ATISBYGOKSHFLH-JTQLQIEISA-N -1 1 296.798 3.376 20 0 CGADMM CC[C@H]1C[C@@H](C)CN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876393501 634826622 /nfs/dbraw/zinc/82/66/22/634826622.db2.gz IIIZWTOPGPCHHE-PWSUYJOCSA-N -1 1 296.798 3.376 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1Cc2ccncc2C1 ZINC000808100936 630622557 /nfs/dbraw/zinc/62/25/57/630622557.db2.gz NRLCCAVYTUEXGO-UHFFFAOYSA-N -1 1 290.322 3.096 20 0 CGADMM CC(C)=CCOC(=O)c1ccc(Br)c([O-])c1 ZINC000808530050 630654913 /nfs/dbraw/zinc/65/49/13/630654913.db2.gz KFSPGFQBQSNUSS-UHFFFAOYSA-N -1 1 285.137 3.278 20 0 CGADMM Cc1nc(SCc2csc(Cl)n2)[n-]c(=O)c1C ZINC000840204898 630907167 /nfs/dbraw/zinc/90/71/67/630907167.db2.gz XIRUUDXPASPQKJ-UHFFFAOYSA-N -1 1 287.797 3.201 20 0 CGADMM CCCCC[C@@H](NCc1cccc([O-])c1Cl)C(=O)OC ZINC000816589719 632020146 /nfs/dbraw/zinc/02/01/46/632020146.db2.gz GJCJLJNCTFEFLJ-GFCCVEGCSA-N -1 1 299.798 3.257 20 0 CGADMM CC[C@@H](C)CONC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000816976328 632065664 /nfs/dbraw/zinc/06/56/64/632065664.db2.gz BJOHVINNBGDINA-MRVPVSSYSA-N -1 1 291.269 3.119 20 0 CGADMM CC[C@H](C)CONC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000816975844 632066399 /nfs/dbraw/zinc/06/63/99/632066399.db2.gz QHCUDYGVVDQQRN-QMMMGPOBSA-N -1 1 291.269 3.119 20 0 CGADMM CC(C)Cc1ccc([C@H](C)C(=O)[N-]OCC2CC2)cc1 ZINC000817334908 632124736 /nfs/dbraw/zinc/12/47/36/632124736.db2.gz SIDUPBZNNMCFME-ZDUSSCGKSA-N -1 1 275.392 3.446 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C(F)=C1CCC1 ZINC000819409850 632453008 /nfs/dbraw/zinc/45/30/08/632453008.db2.gz DNHXCUGLNCOKQS-UHFFFAOYSA-N -1 1 255.676 3.392 20 0 CGADMM COc1cnc(C=Cc2cccc(C(F)(F)F)c2)[n-]c1=O ZINC000821007361 632710473 /nfs/dbraw/zinc/71/04/73/632710473.db2.gz HJYQDLCTHIMBLG-AATRIKPKSA-N -1 1 296.248 3.380 20 0 CGADMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)F)o1)C(C)(C)C ZINC000866792414 633242422 /nfs/dbraw/zinc/24/24/22/633242422.db2.gz AZRCATLSMWJBRZ-QMMMGPOBSA-N -1 1 295.351 3.178 20 0 CGADMM CC(C)(C)c1ccc(CNC(=O)c2ccc([O-])cc2F)o1 ZINC000826905494 633442838 /nfs/dbraw/zinc/44/28/38/633442838.db2.gz QDNRRKZTZCHYTJ-UHFFFAOYSA-N -1 1 291.322 3.352 20 0 CGADMM O=S(=O)([N-]CCC1CCC1)c1cc2cc(F)ccc2o1 ZINC000830833563 633891714 /nfs/dbraw/zinc/89/17/14/633891714.db2.gz GWVLCURLRQLXEQ-UHFFFAOYSA-N -1 1 297.351 3.040 20 0 CGADMM C/C(=C/CN1CCc2ccc(Cl)c(C)c2C1)C(=O)[O-] ZINC000872166205 634073584 /nfs/dbraw/zinc/07/35/84/634073584.db2.gz UEDTWHWKUJBOOF-YHYXMXQVSA-N -1 1 279.767 3.037 20 0 CGADMM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(F)F ZINC000833204934 634112434 /nfs/dbraw/zinc/11/24/34/634112434.db2.gz YARNQFRGWWLMPZ-SECBINFHSA-N -1 1 281.224 3.077 20 0 CGADMM O=C(NCCC[C@H]1C=CCC1)c1c(F)ccc([O-])c1F ZINC000834327354 634143565 /nfs/dbraw/zinc/14/35/65/634143565.db2.gz SAUCIYFLNKAFQM-JTQLQIEISA-N -1 1 281.302 3.147 20 0 CGADMM CC[C@H]1CCC[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821795 634248661 /nfs/dbraw/zinc/24/86/61/634248661.db2.gz GXTDHJCIVHBZBA-NWDGAFQWSA-N -1 1 281.783 3.488 20 0 CGADMM CCOCCCCCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833730 634251412 /nfs/dbraw/zinc/25/14/12/634251412.db2.gz JSPUWOIVYASQOK-UHFFFAOYSA-N -1 1 299.798 3.259 20 0 CGADMM CCc1ccc(CNCc2ccc(O)c(Cl)c2)o1 ZINC000873178893 634272123 /nfs/dbraw/zinc/27/21/23/634272123.db2.gz GCHWLBVXZPBDSW-UHFFFAOYSA-N -1 1 265.740 3.491 20 0 CGADMM Cc1ccc2c(c1)N[C@H](c1ccc([O-])c(Cl)c1)NC2=O ZINC000877863322 635245452 /nfs/dbraw/zinc/24/54/52/635245452.db2.gz DRMMTSOVWXBMGR-AWEZNQCLSA-N -1 1 288.734 3.208 20 0 CGADMM C[C@@H](C(=O)[N-]OC/C=C/Cl)c1ccc(Cl)cc1 ZINC000846192805 636156911 /nfs/dbraw/zinc/15/69/11/636156911.db2.gz JUHSPTWNVXDYEX-WEMAUNJASA-N -1 1 274.147 3.244 20 0 CGADMM CCc1nc(SC[C@@H]2CCC3(CCC3)O2)[n-]c(=O)c1C ZINC000882177493 636279019 /nfs/dbraw/zinc/27/90/19/636279019.db2.gz RQUJJIIFVZUWNX-NSHDSACASA-N -1 1 294.420 3.247 20 0 CGADMM O=C(CCC1CCCCCC1)[N-]OCC(F)(F)F ZINC000847588878 636401115 /nfs/dbraw/zinc/40/11/15/636401115.db2.gz UCIKDLFOFALZGC-UHFFFAOYSA-N -1 1 267.291 3.347 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000890233830 637099016 /nfs/dbraw/zinc/09/90/16/637099016.db2.gz ORFDAFZIWZMWRH-LRDDRELGSA-N -1 1 297.354 3.266 20 0 CGADMM CC[C@@H]1CC[C@@H](C(=O)Nc2cc(F)c([O-])cc2Cl)O1 ZINC000885676488 637284526 /nfs/dbraw/zinc/28/45/26/637284526.db2.gz OTHWBGVKQYJAET-KRTXAFLBSA-N -1 1 287.718 3.081 20 0 CGADMM CCO[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C(C)C ZINC000885680155 637285485 /nfs/dbraw/zinc/28/54/85/637285485.db2.gz MWXUEMCFGBVJRG-GFCCVEGCSA-N -1 1 289.734 3.184 20 0 CGADMM CC(C)(C)CCC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886265111 637472208 /nfs/dbraw/zinc/47/22/08/637472208.db2.gz YGGXUEBYWLAQRO-UHFFFAOYSA-N -1 1 285.334 3.155 20 0 CGADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000851830552 637517143 /nfs/dbraw/zinc/51/71/43/637517143.db2.gz ZFCZQHCITLPXLR-OAHLLOKOSA-N -1 1 293.388 3.146 20 0 CGADMM C[C@H](CCc1ccccc1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858310326 638676424 /nfs/dbraw/zinc/67/64/24/638676424.db2.gz UOBFJSBYXKPTQE-SNVBAGLBSA-N -1 1 277.755 3.269 20 0 CGADMM Cc1csc(CCCCNc2cc(Cl)[n-]c(=O)n2)n1 ZINC000858387087 638699897 /nfs/dbraw/zinc/69/98/97/638699897.db2.gz WYUKCOFHFKZMFY-UHFFFAOYSA-N -1 1 298.799 3.035 20 0 CGADMM CC(C)[C@@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858413065 638707353 /nfs/dbraw/zinc/70/73/53/638707353.db2.gz XUEJWGVCQLXTOK-SNVBAGLBSA-N -1 1 269.776 3.098 20 0 CGADMM CC(C)C1(C)CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858490076 638739100 /nfs/dbraw/zinc/73/91/00/638739100.db2.gz AOVDYDWZFBVXAC-UHFFFAOYSA-N -1 1 269.776 3.098 20 0 CGADMM O=c1nc(NCC[C@H]2CCc3ccccc32)cc(Cl)[n-]1 ZINC000858557760 638761300 /nfs/dbraw/zinc/76/13/00/638761300.db2.gz YURNVGCETPMOBJ-LLVKDONJSA-N -1 1 289.766 3.368 20 0 CGADMM O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1ccccn1 ZINC000116600210 639095730 /nfs/dbraw/zinc/09/57/30/639095730.db2.gz WKJYUWRWRMKIBR-CSKARUKUSA-N -1 1 294.763 3.148 20 0 CGADMM O=C([N-]CCCSCc1ccc(F)cc1)C(F)(F)F ZINC000091606084 640716684 /nfs/dbraw/zinc/71/66/84/640716684.db2.gz ZJAXYEUGGNDVGM-UHFFFAOYSA-N -1 1 295.301 3.128 20 0 CGADMM N#C/C(=C/c1ccc([O-])cc1)C(=O)c1cccc(C#N)c1 ZINC000092851992 640746986 /nfs/dbraw/zinc/74/69/86/640746986.db2.gz LCCUJUJBIOTKSR-NVNXTCNLSA-N -1 1 274.279 3.054 20 0 CGADMM Cc1ccc2ccc(C(=O)NC3(CC4CC4)CC3)c([O-])c2n1 ZINC001155660091 805600946 /nfs/dbraw/zinc/60/09/46/805600946.db2.gz BIMUFUZXFALNEV-UHFFFAOYSA-N -1 1 296.370 3.311 20 0 CGADMM Cc1cccc(Cc2c(Cl)ccc([O-])c2F)n1 ZINC001250425899 805608615 /nfs/dbraw/zinc/60/86/15/805608615.db2.gz VPYPQBSSSQYQOZ-UHFFFAOYSA-N -1 1 251.688 3.479 20 0 CGADMM CC(C)N(CC1CCC1)C(=O)c1cccc([O-])c1F ZINC001156141325 805657940 /nfs/dbraw/zinc/65/79/40/805657940.db2.gz SFBXKUIOABDQHG-UHFFFAOYSA-N -1 1 265.328 3.182 20 0 CGADMM [O-]c1cc(F)c(F)cc1-c1nc2c(cc(F)cc2F)[nH]1 ZINC001250967595 805812067 /nfs/dbraw/zinc/81/20/67/805812067.db2.gz WPAPHJXPBMGWEL-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM COc1cccc2c1nc(-c1cc(F)c(F)cc1[O-])n2C ZINC001250967571 805812871 /nfs/dbraw/zinc/81/28/71/805812871.db2.gz VIGCXVZSGGWWQK-UHFFFAOYSA-N -1 1 290.269 3.233 20 0 CGADMM COc1ccc2c(c1)nc(-c1c(F)cc([O-])cc1F)n2C ZINC001251007432 805825876 /nfs/dbraw/zinc/82/58/76/805825876.db2.gz LDVMYVBIYWXYFV-UHFFFAOYSA-N -1 1 290.269 3.233 20 0 CGADMM CCOc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1 ZINC001251151898 805856092 /nfs/dbraw/zinc/85/60/92/805856092.db2.gz NQYCNJLOQUXTTJ-UHFFFAOYSA-N -1 1 295.335 3.025 20 0 CGADMM CN(C)c1ccc2nc(-c3ccc(F)c(F)c3[O-])[nH]c2c1 ZINC001251259648 805873686 /nfs/dbraw/zinc/87/36/86/805873686.db2.gz ZAZVEXIZUSKTJW-UHFFFAOYSA-N -1 1 289.285 3.280 20 0 CGADMM [O-]c1cc(-c2nc3c([nH]2)c(F)cc(F)c3F)ccc1F ZINC001251477917 805900029 /nfs/dbraw/zinc/90/00/29/805900029.db2.gz ZICNWGYTWFUMDA-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cc(O)cc(Cl)c2)cc1 ZINC001252189641 806028786 /nfs/dbraw/zinc/02/87/86/806028786.db2.gz DXYOGJMPTIGWEG-UHFFFAOYSA-N -1 1 297.763 3.155 20 0 CGADMM O=C(NC/C=C/C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001159078992 806039253 /nfs/dbraw/zinc/03/92/53/806039253.db2.gz OTIMYGKJMQQXNV-OWOJBTEDSA-N -1 1 285.265 3.107 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1ccc(C2CCC2)cn1 ZINC001160177644 806232693 /nfs/dbraw/zinc/23/26/93/806232693.db2.gz QJBJCYXTTLSGNR-UHFFFAOYSA-N -1 1 298.342 3.316 20 0 CGADMM CCCS(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1OC ZINC001253711712 806282109 /nfs/dbraw/zinc/28/21/09/806282109.db2.gz ZONBIJBGVRQRRO-UHFFFAOYSA-N -1 1 298.191 3.154 20 0 CGADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000128627706 799019879 /nfs/dbraw/zinc/01/98/79/799019879.db2.gz GSACRBWLCHRCRY-GWCFXTLKSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@@H]1[C@H](C)SCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000134767353 799036941 /nfs/dbraw/zinc/03/69/41/799036941.db2.gz OIZOTKORKGUXII-BDAKNGLRSA-N -1 1 285.796 3.012 20 0 CGADMM [O-]c1c(F)cc(NC(=S)NCc2ccccc2)cc1F ZINC000168773730 799086708 /nfs/dbraw/zinc/08/67/08/799086708.db2.gz KTRCIVQVJDVOBR-UHFFFAOYSA-N -1 1 294.326 3.157 20 0 CGADMM CCOc1cccc(-c2noc(-c3ccc(O)cc3[O-])n2)c1 ZINC000317970650 799244855 /nfs/dbraw/zinc/24/48/55/799244855.db2.gz CDUOXXWBKNVKPO-UHFFFAOYSA-N -1 1 298.298 3.214 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1csc2cncn21 ZINC000357362754 799335569 /nfs/dbraw/zinc/33/55/69/799335569.db2.gz UEKHEIJUSMZKGA-UHFFFAOYSA-N -1 1 293.735 3.007 20 0 CGADMM Cc1cc(Cl)cc(CN2CCSC[C@H]2CC(=O)[O-])c1 ZINC000395159245 799503546 /nfs/dbraw/zinc/50/35/46/799503546.db2.gz MIJMSMFVTSFRJW-CYBMUJFWSA-N -1 1 299.823 3.041 20 0 CGADMM COc1ccccc1[C@@H](C)NCc1csc(C(=O)[O-])c1 ZINC000689094673 799760704 /nfs/dbraw/zinc/76/07/04/799760704.db2.gz SXTFEVXFNNLIQR-SNVBAGLBSA-N -1 1 291.372 3.306 20 0 CGADMM O=C([O-])[C@H]1CCCN(Cc2ccsc2C(F)(F)F)C1 ZINC000704326619 799935280 /nfs/dbraw/zinc/93/52/80/799935280.db2.gz KXMMSAQATINIJC-VIFPVBQESA-N -1 1 293.310 3.064 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)[C@]12C[C@H]1CCCC2 ZINC000709116968 800003810 /nfs/dbraw/zinc/00/38/10/800003810.db2.gz XJHINFDVIAYJDT-USBNGQNGSA-N -1 1 277.339 3.230 20 0 CGADMM CCCCCc1nnc(-c2cc([O-])cnc2Cl)o1 ZINC001256124196 806829294 /nfs/dbraw/zinc/82/92/94/806829294.db2.gz ZLHLSSNVCMURET-UHFFFAOYSA-N -1 1 267.716 3.223 20 0 CGADMM C[C@H]1C[C@@H]1c1nnc(-c2ccc(Br)c([O-])c2)o1 ZINC001256745673 806968689 /nfs/dbraw/zinc/96/86/89/806968689.db2.gz AINUWEOSRFMVPJ-XPUUQOCRSA-N -1 1 295.136 3.328 20 0 CGADMM Cc1noc(C(C)C)c1C(=O)[N-]c1c(F)ccnc1F ZINC001119452433 802667714 /nfs/dbraw/zinc/66/77/14/802667714.db2.gz LMJNCKUGRJJVFE-UHFFFAOYSA-N -1 1 281.262 3.032 20 0 CGADMM [O-]c1c(F)cc(-c2cccc(C3COC3)c2)cc1F ZINC001244093296 803181752 /nfs/dbraw/zinc/18/17/52/803181752.db2.gz GDSNTJCUKISBBM-UHFFFAOYSA-N -1 1 262.255 3.451 20 0 CGADMM COc1cc(C)c(-c2cc(F)c([O-])c(F)c2)cn1 ZINC001244096702 803183963 /nfs/dbraw/zinc/18/39/63/803183963.db2.gz KZVDNMSZWKQROF-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COC(=O)c1cccc(-c2cc(F)c([O-])c(F)c2)c1C ZINC001244096033 803184082 /nfs/dbraw/zinc/18/40/82/803184082.db2.gz IIGNLBNGJVWVMC-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM Cc1ccc([O-])c(-c2nc(N(C)C)cc(C(F)(F)F)n2)c1 ZINC001244402939 803351937 /nfs/dbraw/zinc/35/19/37/803351937.db2.gz JTUFSYPZHYUWFK-UHFFFAOYSA-N -1 1 297.280 3.242 20 0 CGADMM Cc1cc(C)c(C(N)=O)c(-c2cc(C)c([O-])c(Cl)c2)n1 ZINC001244529523 803421690 /nfs/dbraw/zinc/42/16/90/803421690.db2.gz AWHHBKJEJVZFKL-UHFFFAOYSA-N -1 1 290.750 3.132 20 0 CGADMM Cc1cc(-c2ncc(N)cc2F)cc(Cl)c1[O-] ZINC001244530952 803422249 /nfs/dbraw/zinc/42/22/49/803422249.db2.gz FEVTXSVRTABZQG-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM Cc1cc(-c2nccc3ncn(C)c32)cc(Cl)c1[O-] ZINC001244532562 803422444 /nfs/dbraw/zinc/42/24/44/803422444.db2.gz VJFDRISSEPNVNS-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM CCOC(=O)c1ccnc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244537809 803425617 /nfs/dbraw/zinc/42/56/17/803425617.db2.gz GKQLINBBUWFEJE-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM COC(=O)c1nc(-c2c(Cl)ccc([O-])c2F)ccc1C ZINC001244539326 803426416 /nfs/dbraw/zinc/42/64/16/803426416.db2.gz VYEWMDWAGCDBNX-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncc(OC(F)F)cn2)c1F ZINC001244539044 803426584 /nfs/dbraw/zinc/42/65/84/803426584.db2.gz PPHILJMGNLXCSI-UHFFFAOYSA-N -1 1 290.628 3.243 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncnc3cccnc32)c1F ZINC001244538951 803427082 /nfs/dbraw/zinc/42/70/82/803427082.db2.gz RWIPWDAUOFBGSE-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cccc3nccn32)c1F ZINC001244540629 803427928 /nfs/dbraw/zinc/42/79/28/803427928.db2.gz DLPKDVFTWRKDFV-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM O=C1Cc2ccc(-c3c(Cl)ccc([O-])c3F)cc2CN1 ZINC001244541748 803429092 /nfs/dbraw/zinc/42/90/92/803429092.db2.gz SUTIEEWPABYXDA-UHFFFAOYSA-N -1 1 291.709 3.024 20 0 CGADMM COC(=O)c1ncccc1-c1c(Cl)ccc([O-])c1F ZINC001244541839 803429511 /nfs/dbraw/zinc/42/95/11/803429511.db2.gz UIYCJAVGEGWNOD-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM O=C(Nc1ccc(OC(F)F)cc1)c1ccc(F)c([O-])c1 ZINC001135338564 803588500 /nfs/dbraw/zinc/58/85/00/803588500.db2.gz KWTQSUUVKIMSPM-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM CC[C@@H](CNC(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001136514027 803646015 /nfs/dbraw/zinc/64/60/15/803646015.db2.gz RXYMRXLOIJDQRA-LBPRGKRZSA-N -1 1 287.334 3.455 20 0 CGADMM Cc1cc2[nH]ccc2c(-c2cc(CC(=O)[O-])ccc2F)n1 ZINC001245316490 803698521 /nfs/dbraw/zinc/69/85/21/803698521.db2.gz FQCHYLIABOMZKQ-UHFFFAOYSA-N -1 1 284.290 3.305 20 0 CGADMM CC(=O)c1cccc(Nc2ccc([O-])c(F)c2F)c1O ZINC001212010815 814967037 /nfs/dbraw/zinc/96/70/37/814967037.db2.gz AALLOOAKCVEOGY-UHFFFAOYSA-N -1 1 279.242 3.322 20 0 CGADMM CCOC(=O)c1cccnc1-c1c(F)ccc([O-])c1Cl ZINC001245825548 803981089 /nfs/dbraw/zinc/98/10/89/803981089.db2.gz CJQONZFPBAXPGB-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM Cn1ccc2ncnc(-c3c(F)ccc([O-])c3Cl)c21 ZINC001245826121 803981205 /nfs/dbraw/zinc/98/12/05/803981205.db2.gz CQXQABGUVLGEMO-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM COc1ccc(-n2[n-]c(CC3CCCC3)cc2=O)cc1F ZINC001245932468 804060538 /nfs/dbraw/zinc/06/05/38/804060538.db2.gz PYJROKFIIPAFAB-UHFFFAOYSA-N -1 1 290.338 3.458 20 0 CGADMM CC(C)Cc1cc(=O)n(-c2ccc(F)c(F)c2)[n-]1 ZINC001245932709 804063834 /nfs/dbraw/zinc/06/38/34/804063834.db2.gz MPGSMXKRHZNOKR-UHFFFAOYSA-N -1 1 252.264 3.055 20 0 CGADMM Cc1ccc(O)c(-n2[n-]c(-c3ccsc3)cc2=O)c1 ZINC001245949108 804083017 /nfs/dbraw/zinc/08/30/17/804083017.db2.gz OAJNNJVCWLDBEL-UHFFFAOYSA-N -1 1 272.329 3.320 20 0 CGADMM Cc1ccc(C(=S)n2[n-]c(CC3CC3)cc2=O)cc1 ZINC001245953555 804088420 /nfs/dbraw/zinc/08/84/20/804088420.db2.gz QMZBLWGUUOGPAM-UHFFFAOYSA-N -1 1 272.373 3.073 20 0 CGADMM Cc1[nH]c(CN2CCC[C@H]3CCC[C@@H]32)c(C)c1C(=O)[O-] ZINC001140497675 804448143 /nfs/dbraw/zinc/44/81/43/804448143.db2.gz QGIJQQSKQWVSBQ-OCCSQVGLSA-N -1 1 276.380 3.094 20 0 CGADMM COc1cc([N-]S(=O)(=O)c2cccc(C)c2)ccc1C ZINC001256928889 807013294 /nfs/dbraw/zinc/01/32/94/807013294.db2.gz HARUMMSQQVWNDP-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM C=Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC001256953353 807015170 /nfs/dbraw/zinc/01/51/70/807015170.db2.gz AITMGAOPHAOVMV-UHFFFAOYSA-N -1 1 273.357 3.439 20 0 CGADMM [O-]c1ccc(CN2CCOc3ccccc3C2)c(F)c1F ZINC001140892818 804542681 /nfs/dbraw/zinc/54/26/81/804542681.db2.gz AVHZTOMETMZMFJ-UHFFFAOYSA-N -1 1 291.297 3.065 20 0 CGADMM CN(Cc1ccsc1)Cc1ccc([O-])c(F)c1F ZINC001140894167 804545714 /nfs/dbraw/zinc/54/57/14/804545714.db2.gz TVGWTUJKABAVEC-UHFFFAOYSA-N -1 1 269.316 3.364 20 0 CGADMM O=C1CCN(Cc2cc(F)c([O-])c(F)c2)[C@@H]2CCCC[C@@H]12 ZINC001140987985 804562062 /nfs/dbraw/zinc/56/20/62/804562062.db2.gz JKMAAWHSWDTDRL-BXUZGUMPSA-N -1 1 295.329 3.004 20 0 CGADMM CCOc1cc(F)ccc1NC(=O)c1ccc([O-])cc1F ZINC001141810004 804670216 /nfs/dbraw/zinc/67/02/16/804670216.db2.gz WLGJWEAVQSSFSB-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM CC(C)(C)[C@H](NC(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001141875741 804676909 /nfs/dbraw/zinc/67/69/09/804676909.db2.gz GKBRKYVNGLALAL-OAHLLOKOSA-N -1 1 284.359 3.304 20 0 CGADMM Cc1c(F)c(F)ccc1NC(=O)c1ccccc1[O-] ZINC001142081435 804695080 /nfs/dbraw/zinc/69/50/80/804695080.db2.gz TXWWMRXIVCLSTO-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM Cc1c(F)ccc(-c2noc(-c3ncccc3[O-])n2)c1F ZINC001212481009 815036564 /nfs/dbraw/zinc/03/65/64/815036564.db2.gz VBAVUSYOKCBRSG-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM CC(C)(C)CNC(=S)Nc1ccc([O-])c(F)c1F ZINC001247974100 804861738 /nfs/dbraw/zinc/86/17/38/804861738.db2.gz LKHNCZOZHGEEGA-UHFFFAOYSA-N -1 1 274.336 3.003 20 0 CGADMM C[C@@H]1CC[C@@H](CNC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001248400040 804928758 /nfs/dbraw/zinc/92/87/58/804928758.db2.gz YFJYPEWRQANJFY-GHMZBOCLSA-N -1 1 296.798 3.281 20 0 CGADMM CN(Cc1cccc(F)c1)Cc1c(F)cc([O-])cc1F ZINC001144542371 805000399 /nfs/dbraw/zinc/00/03/99/805000399.db2.gz VHNOJJHKBJGLPC-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM C[C@]1(F)CCCCN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144542170 805002490 /nfs/dbraw/zinc/00/24/90/805002490.db2.gz QRCARUGYYJJDGS-AWEZNQCLSA-N -1 1 273.298 3.385 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H]2c2cccnc2)c(F)c1 ZINC001144542353 805002548 /nfs/dbraw/zinc/00/25/48/805002548.db2.gz UOCCRHFIEFWEBW-INIZCTEOSA-N -1 1 290.313 3.403 20 0 CGADMM [O-]c1cc(F)c(CN2CCCC(F)(F)[C@H](F)C2)cc1F ZINC001144648165 805020974 /nfs/dbraw/zinc/02/09/74/805020974.db2.gz PAQJYYLXAGBWNF-GFCCVEGCSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cc(F)c(CN2Cc3cccc(F)c3C2)cc1F ZINC001144657741 805024277 /nfs/dbraw/zinc/02/42/77/805024277.db2.gz GHHLLSURZQQVSM-UHFFFAOYSA-N -1 1 279.261 3.325 20 0 CGADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC001144746027 805049766 /nfs/dbraw/zinc/04/97/66/805049766.db2.gz SABGTBIGTMYLRO-YPMHNXCESA-N -1 1 279.355 3.476 20 0 CGADMM C[C@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001144815896 805056767 /nfs/dbraw/zinc/05/67/67/805056767.db2.gz UOIGYKLTHLLYKO-GZMMTYOYSA-N -1 1 287.281 3.329 20 0 CGADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cc(F)ccc1[O-] ZINC001146709340 805082348 /nfs/dbraw/zinc/08/23/48/805082348.db2.gz JVXRBOFGHYCWMQ-VXGBXAGGSA-N -1 1 279.355 3.478 20 0 CGADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1CC=CC1 ZINC001148861111 805212367 /nfs/dbraw/zinc/21/23/67/805212367.db2.gz LNKYTLDCKTZFKR-UHFFFAOYSA-N -1 1 265.312 3.071 20 0 CGADMM O=C(c1cc2cccc(O)c2cc1[O-])N1C2CCC1CC2 ZINC001149651150 805240898 /nfs/dbraw/zinc/24/08/98/805240898.db2.gz HTGFCDLNLWTYSJ-UHFFFAOYSA-N -1 1 283.327 3.018 20 0 CGADMM Cc1cccc([C@H](NC(=O)c2cncc([O-])c2)C(C)C)c1 ZINC001150929737 805274911 /nfs/dbraw/zinc/27/49/11/805274911.db2.gz YYIUUFQZGCUMFN-MRXNPFEDSA-N -1 1 284.359 3.223 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cccnc1C(F)F ZINC001151779777 805312358 /nfs/dbraw/zinc/31/23/58/805312358.db2.gz MOIFLTHWTAXRIC-UHFFFAOYSA-N -1 1 282.221 3.116 20 0 CGADMM Cn1ccc2cc(Nc3cc([O-])c(F)c(F)c3F)cnc21 ZINC001249957979 805324690 /nfs/dbraw/zinc/32/46/90/805324690.db2.gz IDVXJDCLZKSTIL-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM Cc1ccc(Nc2cc([O-])c(F)c(F)c2F)c(F)n1 ZINC001249958390 805325634 /nfs/dbraw/zinc/32/56/34/805325634.db2.gz MLQLQKUHDYHCBJ-UHFFFAOYSA-N -1 1 272.201 3.396 20 0 CGADMM Cc1ncc(Nc2cc([O-])c(F)c(F)c2F)s1 ZINC001249960701 805326026 /nfs/dbraw/zinc/32/60/26/805326026.db2.gz QUGXPTPYIJHESN-UHFFFAOYSA-N -1 1 260.240 3.318 20 0 CGADMM Cc1cnc(Nc2cc([O-])c(F)c(F)c2F)c(F)c1 ZINC001249960741 805325972 /nfs/dbraw/zinc/32/59/72/805325972.db2.gz RQPDXCFWASMCAF-UHFFFAOYSA-N -1 1 272.201 3.396 20 0 CGADMM CSc1nccc(Nc2cc([O-])c(F)c(F)c2F)n1 ZINC001249959128 805326381 /nfs/dbraw/zinc/32/63/81/805326381.db2.gz WRMJJQAPABPQQS-UHFFFAOYSA-N -1 1 287.266 3.065 20 0 CGADMM COc1ncc(F)cc1Nc1cc([O-])c(F)c(F)c1F ZINC001249960874 805326639 /nfs/dbraw/zinc/32/66/39/805326639.db2.gz WLESIKXVYZFEEM-UHFFFAOYSA-N -1 1 288.200 3.096 20 0 CGADMM [O-]c1cc(Nc2cc(Cl)ncc2O)c(F)c(F)c1F ZINC001249960348 805327184 /nfs/dbraw/zinc/32/71/84/805327184.db2.gz CIFCCWPHVFBULZ-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM Cn1ncc2cc(Nc3cc([O-])c(F)c(F)c3F)ccc21 ZINC001249962121 805329532 /nfs/dbraw/zinc/32/95/32/805329532.db2.gz GYFGNQJKBDENNZ-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM [O-]c1cc(F)c(Nc2cncc(F)c2)cc1Cl ZINC001250020530 805372361 /nfs/dbraw/zinc/37/23/61/805372361.db2.gz MWMHFRUPOYHKPC-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1c([O-])ccc2ccccc21 ZINC001153513013 805402135 /nfs/dbraw/zinc/40/21/35/805402135.db2.gz XMGDDGLSOILQSN-UONOGXRCSA-N -1 1 267.328 3.074 20 0 CGADMM O=S(=O)(CCc1ccc(Cl)c([O-])c1)c1ccccc1 ZINC001250125395 805429958 /nfs/dbraw/zinc/42/99/58/805429958.db2.gz XRWZBIVULKWTKV-UHFFFAOYSA-N -1 1 296.775 3.062 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N(C)C(C)C)cc2c1 ZINC001154745337 805481257 /nfs/dbraw/zinc/48/12/57/805481257.db2.gz XOZQHCVQLXPHCD-UHFFFAOYSA-N -1 1 273.332 3.034 20 0 CGADMM CCOc1cc(Nc2c(F)ccc([O-])c2Cl)no1 ZINC001250230091 805506145 /nfs/dbraw/zinc/50/61/45/805506145.db2.gz UWEKRJSUNYZVFE-UHFFFAOYSA-N -1 1 272.663 3.315 20 0 CGADMM Cc1cnn(C2COC2)c1Nc1c(F)ccc([O-])c1Cl ZINC001250234800 805509214 /nfs/dbraw/zinc/50/92/14/805509214.db2.gz YEUPMIGTTKPTNB-UHFFFAOYSA-N -1 1 297.717 3.005 20 0 CGADMM Cc1c2cn(-c3c(F)ccc([O-])c3Cl)nc2ccc1N ZINC001250234693 805509496 /nfs/dbraw/zinc/50/94/96/805509496.db2.gz UYBXHAHUGSBIAU-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM O=C(Cc1cccc(Cl)c1[O-])Oc1ccccc1 ZINC001250258650 805527648 /nfs/dbraw/zinc/52/76/48/805527648.db2.gz NUHSRHHMWCSYDT-UHFFFAOYSA-N -1 1 262.692 3.194 20 0 CGADMM CCCOc1c(F)cc(F)c([N-]c2cnns2)c1F ZINC001212648081 815093723 /nfs/dbraw/zinc/09/37/23/815093723.db2.gz JYYKQOMQFNXQAX-UHFFFAOYSA-N -1 1 289.282 3.488 20 0 CGADMM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1cccs1 ZINC001259235216 807676493 /nfs/dbraw/zinc/67/64/93/807676493.db2.gz JMSXIYQDGARBPW-UHFFFAOYSA-N -1 1 287.793 3.343 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1ccc(Cl)cc1C(C)=O ZINC001260740035 807703446 /nfs/dbraw/zinc/70/34/46/807703446.db2.gz ODAOJVMYLDLROX-MRVPVSSYSA-N -1 1 289.784 3.083 20 0 CGADMM Cc1cc2ccccc2c(Nc2[n-]c(=O)nc3nc[nH]c32)c1 ZINC001170230848 807798389 /nfs/dbraw/zinc/79/83/89/807798389.db2.gz ZPFPFWMZJNJAIF-UHFFFAOYSA-N -1 1 291.314 3.264 20 0 CGADMM Cc1c(F)nccc1Nc1c([O-])cc(F)cc1F ZINC001212842731 815153412 /nfs/dbraw/zinc/15/34/12/815153412.db2.gz JWROHQYZCIXPCQ-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM CCOc1cccc(C(=O)Nc2cccc(F)c2[O-])c1 ZINC001171632425 808108881 /nfs/dbraw/zinc/10/88/81/808108881.db2.gz ADSMQWRCZPZTBO-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM [O-]c1c(F)cc(Nc2ccccc2OC2COC2)cc1F ZINC001213384239 815274256 /nfs/dbraw/zinc/27/42/56/815274256.db2.gz ACWOAZBQLYKVHY-UHFFFAOYSA-N -1 1 293.269 3.192 20 0 CGADMM CN(Cc1ccsc1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001290642573 809411789 /nfs/dbraw/zinc/41/17/89/809411789.db2.gz DGGPTFARAVJQNL-UHFFFAOYSA-N -1 1 295.791 3.308 20 0 CGADMM [O-]c1cc(Nc2cccc(CO)c2)c(F)cc1Cl ZINC001175511599 809435687 /nfs/dbraw/zinc/43/56/87/809435687.db2.gz LCBSDHDOEWQXBB-UHFFFAOYSA-N -1 1 267.687 3.421 20 0 CGADMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1c([O-])cccc1F ZINC001294139757 809462022 /nfs/dbraw/zinc/46/20/22/809462022.db2.gz PUSUJOQDTZKGGS-DGCLKSJQSA-N -1 1 277.339 3.230 20 0 CGADMM Cn1cc2ccc(Nc3cc([O-])c(F)c(F)c3)cc2n1 ZINC001175614732 809474338 /nfs/dbraw/zinc/47/43/38/809474338.db2.gz GSWUUMODXLXBEW-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM COc1cc(F)c(NC(=O)c2ccc(F)c([O-])c2)cc1F ZINC001295036164 809479060 /nfs/dbraw/zinc/47/90/60/809479060.db2.gz LVVFFGVJVMOCPQ-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM [O-]c1c(F)cc(Nc2cccc3c[nH]nc32)cc1F ZINC001175639276 809484687 /nfs/dbraw/zinc/48/46/87/809484687.db2.gz KENBTYVWLDZKOS-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM C[C@H]1CC[C@H](CNC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001297382979 809517168 /nfs/dbraw/zinc/51/71/68/809517168.db2.gz YWOSRYKUCLFBKZ-RYUDHWBXSA-N -1 1 284.359 3.106 20 0 CGADMM O=C(NC[C@H]1CCC[C@H]1c1ccccc1)c1ccc([O-])cn1 ZINC001298514582 809534037 /nfs/dbraw/zinc/53/40/37/809534037.db2.gz YRQYPIZVYVZJMV-ZBFHGGJFSA-N -1 1 296.370 3.101 20 0 CGADMM CC(C)c1cc(C(=O)Nc2cc(F)cc(F)c2[O-])no1 ZINC001299580790 809551968 /nfs/dbraw/zinc/55/19/68/809551968.db2.gz JZFRSDWIVUNNBB-UHFFFAOYSA-N -1 1 282.246 3.034 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCc2ccccc2C1 ZINC001300488441 809569741 /nfs/dbraw/zinc/56/97/41/809569741.db2.gz KPYGJXDJTRGGEP-CYBMUJFWSA-N -1 1 285.318 3.275 20 0 CGADMM CCC[C@H](C)CCNC(=O)c1cccc([O-])c1F ZINC001303149056 809605393 /nfs/dbraw/zinc/60/53/93/809605393.db2.gz OIRRGQDMJUWVIC-JTQLQIEISA-N -1 1 253.317 3.087 20 0 CGADMM COc1ccncc1Nc1cc([O-])c(Cl)cc1F ZINC001176120454 809627614 /nfs/dbraw/zinc/62/76/14/809627614.db2.gz BCULMOLVIOSGDH-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM COc1ccc(Nc2c([O-])cc(F)cc2F)cc1O ZINC001176257030 809656163 /nfs/dbraw/zinc/65/61/63/809656163.db2.gz IUYNAGGJKAORFY-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM COc1ccc(O)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001176580266 809722912 /nfs/dbraw/zinc/72/29/12/809722912.db2.gz OYAZFNHAOFDSOG-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cc(F)ccc2CO)c1F ZINC001176670848 809740317 /nfs/dbraw/zinc/74/03/17/809740317.db2.gz NKJNOXRIGKAYQK-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM Cc1cccc(N)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176673073 809741269 /nfs/dbraw/zinc/74/12/69/809741269.db2.gz PEMKGPZFEIHQBE-UHFFFAOYSA-N -1 1 268.238 3.444 20 0 CGADMM CSc1nc(Nc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC001176725280 809751159 /nfs/dbraw/zinc/75/11/59/809751159.db2.gz ARGVPNFJYUVBDR-UHFFFAOYSA-N -1 1 267.741 3.301 20 0 CGADMM O=C([N-]Oc1ccccc1F)C1CCC(C2CC2)CC1 ZINC001177114250 809780978 /nfs/dbraw/zinc/78/09/78/809780978.db2.gz QGNHGBCJLSWMNU-UHFFFAOYSA-N -1 1 277.339 3.452 20 0 CGADMM CCC[C@H](C(=O)NCCc1c(F)cc([O-])cc1F)C(C)C ZINC001178785359 809887657 /nfs/dbraw/zinc/88/76/57/809887657.db2.gz SGKOQRAPDOIGIS-LBPRGKRZSA-N -1 1 299.361 3.401 20 0 CGADMM Cc1nn(C)c2cc([N-]c3nnc(-c4ccco4)o3)ccc12 ZINC001213750555 815326913 /nfs/dbraw/zinc/32/69/13/815326913.db2.gz RWRPBNASNWMHIS-UHFFFAOYSA-N -1 1 295.302 3.268 20 0 CGADMM CC[C@@H](C)C[C@@H](C)[N-]C(=O)C(F)(F)C(F)(F)Cl ZINC001179780357 809944706 /nfs/dbraw/zinc/94/47/06/809944706.db2.gz WMCMWRASQLPQAK-RNFRBKRXSA-N -1 1 277.689 3.394 20 0 CGADMM CCc1ccc(F)cc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183217349 810141280 /nfs/dbraw/zinc/14/12/80/810141280.db2.gz AHVSHRGMIFKFBE-UHFFFAOYSA-N -1 1 294.713 3.394 20 0 CGADMM CCOc1ccc(C)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC001186226942 810321401 /nfs/dbraw/zinc/32/14/01/810321401.db2.gz VKPJEABQNCIUPP-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM O=C(NCc1nccc2ccccc21)c1ccc([O-])cc1F ZINC001186337884 810329021 /nfs/dbraw/zinc/32/90/21/810329021.db2.gz YMQZXKBRTDMFKH-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001186327654 810329759 /nfs/dbraw/zinc/32/97/59/810329759.db2.gz UGFCBWFNRKLSKQ-TXEJJXNPSA-N -1 1 297.329 3.258 20 0 CGADMM O=S(=O)([N-]c1cccc(-c2ccccc2)n1)C1CCC1 ZINC001188104913 810454460 /nfs/dbraw/zinc/45/44/60/810454460.db2.gz NNKHYRCEEINTTK-UHFFFAOYSA-N -1 1 288.372 3.043 20 0 CGADMM O=S(=O)([N-]c1ccc(Cl)c2cccnc12)C1CCC1 ZINC001188139115 810456956 /nfs/dbraw/zinc/45/69/56/810456956.db2.gz NLULAVHNLIFFQF-UHFFFAOYSA-N -1 1 296.779 3.182 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2c(C)noc2CC)n1 ZINC001188162169 810460600 /nfs/dbraw/zinc/46/06/00/810460600.db2.gz HAGDCLVBTHCQOS-UHFFFAOYSA-N -1 1 293.392 3.286 20 0 CGADMM CC(C)Oc1ccccc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191523157 810722105 /nfs/dbraw/zinc/72/21/05/810722105.db2.gz KWUBNWAQRYGVAD-UHFFFAOYSA-N -1 1 297.420 3.406 20 0 CGADMM O=C(Nc1cnc(C2CC2)s1)c1cc([O-])cc(F)c1F ZINC001192661405 810814958 /nfs/dbraw/zinc/81/49/58/810814958.db2.gz WEZSZYPGLIOUEP-UHFFFAOYSA-N -1 1 296.298 3.257 20 0 CGADMM CCCOC(=O)Nc1cccc([O-])c1Br ZINC001194131168 811019991 /nfs/dbraw/zinc/01/99/91/811019991.db2.gz YZLOMLKKEBIFPL-UHFFFAOYSA-N -1 1 274.114 3.113 20 0 CGADMM CC(=O)Nc1ccc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214480672 815415085 /nfs/dbraw/zinc/41/50/85/815415085.db2.gz XUFSDCZXBKGERW-UHFFFAOYSA-N -1 1 295.701 3.282 20 0 CGADMM NC(=O)c1ccccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214488329 815416645 /nfs/dbraw/zinc/41/66/45/815416645.db2.gz CEYIRHWTLFFWLO-UHFFFAOYSA-N -1 1 280.686 3.027 20 0 CGADMM COc1cc(F)ncc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214486640 815416669 /nfs/dbraw/zinc/41/66/69/815416669.db2.gz QVTILPUTEDPCPC-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CCOc1cnc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214482644 815416719 /nfs/dbraw/zinc/41/67/19/815416719.db2.gz GRGDABIOVLBLKS-UHFFFAOYSA-N -1 1 283.690 3.117 20 0 CGADMM COc1cc(CO)cc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214493978 815417238 /nfs/dbraw/zinc/41/72/38/815417238.db2.gz GQSJJNMZSGYYKB-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM CC(C)c1cccc(NC(=O)c2cc([O-])cnc2Cl)n1 ZINC001195298150 811238892 /nfs/dbraw/zinc/23/88/92/811238892.db2.gz OWFRHVSHQFRUDZ-UHFFFAOYSA-N -1 1 291.738 3.211 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(C)c(Cl)cc1F ZINC001195492948 811262046 /nfs/dbraw/zinc/26/20/46/811262046.db2.gz SATHJRKSXDHRIQ-UHFFFAOYSA-N -1 1 290.747 3.230 20 0 CGADMM COc1ccc(NC(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001202396441 812084431 /nfs/dbraw/zinc/08/44/31/812084431.db2.gz VBGKEANBHFWQQK-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM COc1cccc(-c2cc([N-]c3cnoc3)on2)c1 ZINC001203231031 812274663 /nfs/dbraw/zinc/27/46/63/812274663.db2.gz BZXDCWQURLXREM-UHFFFAOYSA-N -1 1 257.249 3.082 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc2cncnc2c1 ZINC001203707157 812434384 /nfs/dbraw/zinc/43/43/84/812434384.db2.gz BYLHDSNKMYHKJT-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM CN1CCc2ccc(Nc3cc(F)c([O-])cc3F)cc21 ZINC001215576937 815539849 /nfs/dbraw/zinc/53/98/49/815539849.db2.gz ODAXBPVPYFAAGK-UHFFFAOYSA-N -1 1 276.286 3.406 20 0 CGADMM COCOc1ccc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001215665948 815555728 /nfs/dbraw/zinc/55/57/28/815555728.db2.gz ORLQGRLRMAEVLM-UHFFFAOYSA-N -1 1 298.701 3.306 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc(F)c(Cl)c3)no2)nn1 ZINC001205293939 812934987 /nfs/dbraw/zinc/93/49/87/812934987.db2.gz KWUQZWZDYUADTF-UHFFFAOYSA-N -1 1 292.657 3.253 20 0 CGADMM Cc1nc2cc(-c3ccsc3C(=O)[O-])ccc2[nH]1 ZINC001205573227 813009435 /nfs/dbraw/zinc/00/94/35/813009435.db2.gz VXHSANUOZOZBKZ-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM Cn1ccc(Nc2cc(Cl)cc(Cl)c2[O-])cc1=O ZINC001206114493 813204476 /nfs/dbraw/zinc/20/44/76/813204476.db2.gz LBPYNABDIPBZHR-UHFFFAOYSA-N -1 1 285.130 3.141 20 0 CGADMM O=c1ccn(-c2ccc(Nc3ccc4c(c3)OCC4)cc2)[n-]1 ZINC001206708877 813403925 /nfs/dbraw/zinc/40/39/25/813403925.db2.gz UVYDFGUAZBAVPL-UHFFFAOYSA-N -1 1 293.326 3.256 20 0 CGADMM [O-]c1cc(Nc2ccc3c(c2)NCCO3)cc(F)c1F ZINC001209800514 814146090 /nfs/dbraw/zinc/14/60/90/814146090.db2.gz YOSVVWGLYOXPBG-UHFFFAOYSA-N -1 1 278.258 3.218 20 0 CGADMM COc1cc(Cl)ccc1Nc1cc(=O)[n-]c(SC)n1 ZINC001209905116 814195670 /nfs/dbraw/zinc/19/56/70/814195670.db2.gz QBTMEARGRYRJNA-UHFFFAOYSA-N -1 1 297.767 3.310 20 0 CGADMM Cc1cccc(Nc2ccc(F)c(F)c2[O-])c1O ZINC001210194481 814330126 /nfs/dbraw/zinc/33/01/26/814330126.db2.gz RSWFRBXUVYQTPZ-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM Cc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1CO ZINC001210253197 814368012 /nfs/dbraw/zinc/36/80/12/814368012.db2.gz ROLPFLUKRYHRSF-UHFFFAOYSA-N -1 1 295.342 3.122 20 0 CGADMM CC(C)(C)c1nnc([N-]c2ccc(OC(F)F)nc2)o1 ZINC001210299825 814391908 /nfs/dbraw/zinc/39/19/08/814391908.db2.gz DOHLHIXFSNOVSZ-UHFFFAOYSA-N -1 1 284.266 3.107 20 0 CGADMM COc1ncc(Nc2c([O-])cc(F)cc2F)cc1C ZINC001210315737 814399690 /nfs/dbraw/zinc/39/96/90/814399690.db2.gz BKIOPIWCCRGAPF-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM [O-]c1cc(Nc2ccc(CO)c(F)c2)cc(F)c1F ZINC001210487630 814486051 /nfs/dbraw/zinc/48/60/51/814486051.db2.gz HWNMGYCFJLMEPV-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM [O-]c1cc(Nc2cccnc2OC(F)F)cc(F)c1F ZINC001210627837 814563219 /nfs/dbraw/zinc/56/32/19/814563219.db2.gz PCKJBCUEVKXCPB-UHFFFAOYSA-N -1 1 288.200 3.410 20 0 CGADMM CC(=O)c1cccnc1Nc1cccc([O-])c1Cl ZINC001210845530 814650596 /nfs/dbraw/zinc/65/05/96/814650596.db2.gz XUSBUBXUDZYPPQ-UHFFFAOYSA-N -1 1 262.696 3.387 20 0 CGADMM [O-]c1cccc(-c2nccc(NCC3CC3)n2)c1Cl ZINC001242799008 823135760 /nfs/dbraw/zinc/13/57/60/823135760.db2.gz QDALSKDLXBTODH-UHFFFAOYSA-N -1 1 275.739 3.325 20 0 CGADMM [O-]c1cccc(-c2ncc3c(n2)CCCC3)c1Cl ZINC001242799986 823136708 /nfs/dbraw/zinc/13/67/08/823136708.db2.gz BHYOAGLZZPWGQJ-UHFFFAOYSA-N -1 1 260.724 3.381 20 0 CGADMM COc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(C)n1 ZINC001211045815 814719378 /nfs/dbraw/zinc/71/93/78/814719378.db2.gz OAAYASFRJYOUGZ-UHFFFAOYSA-N -1 1 296.330 3.034 20 0 CGADMM Cc1nc2c(c(-c3cccc([O-])c3Cl)n1)CCC2 ZINC001242800307 823136397 /nfs/dbraw/zinc/13/63/97/823136397.db2.gz GEGBLRUAGYQFMX-UHFFFAOYSA-N -1 1 260.724 3.300 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cnn2ccccc12 ZINC001211097483 814743890 /nfs/dbraw/zinc/74/38/90/814743890.db2.gz ZOWNZPLNDIVGHI-UHFFFAOYSA-N -1 1 261.231 3.062 20 0 CGADMM COc1c(F)nccc1-c1cccc([O-])c1Cl ZINC001242799612 823136637 /nfs/dbraw/zinc/13/66/37/823136637.db2.gz UQGVNWNMGKTHCW-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM [O-]c1cccc(-c2cc(-n3ccnc3)ccn2)c1Cl ZINC001242801329 823137024 /nfs/dbraw/zinc/13/70/24/823137024.db2.gz OZYGVTPLZVOKPH-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM [O-]c1cccc(-c2ncnc3c2ncn3C2CC2)c1Cl ZINC001242801528 823137339 /nfs/dbraw/zinc/13/73/39/823137339.db2.gz SMYGBWQREZKOMV-UHFFFAOYSA-N -1 1 286.722 3.187 20 0 CGADMM CC(C)n1ccc(-c2cccc([O-])c2Cl)cc1=O ZINC001242802793 823137908 /nfs/dbraw/zinc/13/79/08/823137908.db2.gz RCLSKGGNNMSCIN-UHFFFAOYSA-N -1 1 263.724 3.455 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc(F)c(O)c1 ZINC001211219255 814854075 /nfs/dbraw/zinc/85/40/75/814854075.db2.gz IIXYHPLXPVBTRE-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM COc1ccc(-c2cccc([O-])c2Cl)c(F)n1 ZINC001242803734 823138361 /nfs/dbraw/zinc/13/83/61/823138361.db2.gz YTLKUOCVNPHWLY-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM Cn1cncc1Nc1ccc([C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001211251345 814862199 /nfs/dbraw/zinc/86/21/99/814862199.db2.gz FWGJXRBYHSKYGG-AWEZNQCLSA-N -1 1 287.363 3.378 20 0 CGADMM CCOC(=O)Cc1ccccc1-c1cc(F)c([O-])cc1F ZINC001211339411 814881471 /nfs/dbraw/zinc/88/14/71/814881471.db2.gz OJPRCJOAMVETTL-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM COc1ccc(-c2cc(F)c([O-])cc2F)cc1OC ZINC001211339019 814881672 /nfs/dbraw/zinc/88/16/72/814881672.db2.gz KIARRPHQTRVRBI-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM COc1cc2nc[nH]c2cc1-c1cc(F)c([O-])cc1F ZINC001211350177 814883707 /nfs/dbraw/zinc/88/37/07/814883707.db2.gz NZVYYJQCIVPONS-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM COC(=O)c1cccc(-c2cc(F)c([O-])cc2F)c1OC ZINC001211350879 814883829 /nfs/dbraw/zinc/88/38/29/814883829.db2.gz WVTCZIRPUOZVNC-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM COc1cc(OC)c(-c2cc(F)c([O-])cc2F)cc1OC ZINC001211351754 814884329 /nfs/dbraw/zinc/88/43/29/814884329.db2.gz BSLRZTKBWYHOCD-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM COc1nccc(-c2cc(F)c([O-])cc2F)c1C ZINC001211353064 814884677 /nfs/dbraw/zinc/88/46/77/814884677.db2.gz RURNDYXZXQUMJU-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM Cc1cnc(F)c(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001211505850 814899520 /nfs/dbraw/zinc/89/95/20/814899520.db2.gz JVANSCIQNQWBAP-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM CC(=O)c1ccccc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC001215826813 815606126 /nfs/dbraw/zinc/60/61/26/815606126.db2.gz SQOXZJOXRCODTC-UHFFFAOYSA-N -1 1 298.273 3.451 20 0 CGADMM [O-]c1cc(F)cc(-c2nc(-c3ccccc3)no2)c1 ZINC001216339199 815790888 /nfs/dbraw/zinc/79/08/88/815790888.db2.gz CWJALAGXUUCUIQ-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM Cn1cncc1Nc1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001216358725 815799147 /nfs/dbraw/zinc/79/91/47/815799147.db2.gz WEGAFQKERJDKKE-UHFFFAOYSA-N -1 1 286.118 3.169 20 0 CGADMM CCCOc1ccc(Nc2ccnc(Cl)c2[O-])cn1 ZINC001216585081 815864430 /nfs/dbraw/zinc/86/44/30/815864430.db2.gz CQGWURYBRUUBTG-UHFFFAOYSA-N -1 1 279.727 3.368 20 0 CGADMM CCOc1cc(Nc2ccc(F)c(F)c2[O-])ccn1 ZINC001216625737 815880253 /nfs/dbraw/zinc/88/02/53/815880253.db2.gz GTVVCVNMGCYKGZ-UHFFFAOYSA-N -1 1 266.247 3.208 20 0 CGADMM Cc1cc(-c2noc(-c3c(F)ccc([O-])c3F)n2)ccn1 ZINC001216920907 815901745 /nfs/dbraw/zinc/90/17/45/815901745.db2.gz ZPMOVIKAPMVLSU-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1cc(O)cc([O-])c1-c1nc(-c2cccc(F)c2)no1 ZINC001216988098 815904905 /nfs/dbraw/zinc/90/49/05/815904905.db2.gz OOUAYYNZCCSJBK-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM [O-]c1cc(Cl)c(O[C@H]2CNCC(F)(F)C2)cc1Cl ZINC001218275826 816149303 /nfs/dbraw/zinc/14/93/03/816149303.db2.gz YWUGJWTZSMUBDQ-ZCFIWIBFSA-N -1 1 298.116 3.075 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OC1CCC(O)CC1 ZINC001218368428 816181782 /nfs/dbraw/zinc/18/17/82/816181782.db2.gz MXEAOVWWVVETAX-UHFFFAOYSA-N -1 1 278.348 3.057 20 0 CGADMM Cc1ccc2ccc(C(=O)Nc3cccc(N)c3)c([O-])c2n1 ZINC001218830646 816254351 /nfs/dbraw/zinc/25/43/51/816254351.db2.gz JCIZOJZVBCSRNR-UHFFFAOYSA-N -1 1 293.326 3.083 20 0 CGADMM COc1ccc2c(C)nc(-c3ccc(F)c([O-])c3)nc2c1 ZINC001243054763 823229960 /nfs/dbraw/zinc/22/99/60/823229960.db2.gz RKPIKQIWLVOLRM-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM C[C@H](OCCCC[P@](=O)([O-])O)c1csc(Cl)c1 ZINC001225023526 816933736 /nfs/dbraw/zinc/93/37/36/816933736.db2.gz XDFIHIRZROJHDT-QMMMGPOBSA-N -1 1 298.728 3.437 20 0 CGADMM CCCCOC[C@H](C)Oc1cc([O-])ccc1C(C)=O ZINC001225615614 817112186 /nfs/dbraw/zinc/11/21/86/817112186.db2.gz BVTLGHUFUWRZAQ-NSHDSACASA-N -1 1 266.337 3.179 20 0 CGADMM C[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1csc(Cl)c1 ZINC001225766991 817171290 /nfs/dbraw/zinc/17/12/90/817171290.db2.gz WYQUWUULQKFQIY-RXMQYKEDSA-N -1 1 288.781 3.326 20 0 CGADMM CCCCC[C@@H](Oc1nc(=O)[n-]cc1C(C)=O)C(C)C ZINC001226238493 817307785 /nfs/dbraw/zinc/30/77/85/817307785.db2.gz SXNSEAGMEPRWDQ-CYBMUJFWSA-N -1 1 280.368 3.369 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CCC=CCCC1 ZINC001227169012 817578523 /nfs/dbraw/zinc/57/85/23/817578523.db2.gz OQMSNLLAVWQQQG-CQSZACIVSA-N -1 1 290.359 3.489 20 0 CGADMM CCC[C@H](Oc1[n-]c(=O)nc2c1COC2)c1ccccc1 ZINC001227686026 817693267 /nfs/dbraw/zinc/69/32/67/817693267.db2.gz DNVBXSPHTJQHBT-AWEZNQCLSA-N -1 1 286.331 3.133 20 0 CGADMM Cc1cccc2c1CC[C@@H]2Oc1[n-]c(=O)nc2c1CO[C@H]2C ZINC001227709776 817699508 /nfs/dbraw/zinc/69/95/08/817699508.db2.gz GNFQYCYXOWDNEO-HZMBPMFUSA-N -1 1 298.342 3.148 20 0 CGADMM C[C@H]1OCc2c1nc(=O)[n-]c2O[C@H]1CCCc2ccccc21 ZINC001227713401 817702203 /nfs/dbraw/zinc/70/22/03/817702203.db2.gz OGCYPOAJNQUFIM-YGRLFVJLSA-N -1 1 298.342 3.230 20 0 CGADMM CSc1nc(O[C@H](C)c2cccc(F)c2)cc(=O)[n-]1 ZINC001228091142 817809011 /nfs/dbraw/zinc/80/90/11/817809011.db2.gz UZWAKHZICFPWAE-MRVPVSSYSA-N -1 1 280.324 3.183 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1OCCOC1CCCC1 ZINC001228554709 817936391 /nfs/dbraw/zinc/93/63/91/817936391.db2.gz KHLWEPJPWDOWRN-UHFFFAOYSA-N -1 1 294.347 3.029 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)c1ccncc1 ZINC001228554314 817936488 /nfs/dbraw/zinc/93/64/88/817936488.db2.gz GYKUZGXGUFWJRO-JTQLQIEISA-N -1 1 287.315 3.226 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CC[C@H](C)C1 ZINC001228554502 817936561 /nfs/dbraw/zinc/93/65/61/817936561.db2.gz JYOYZGKIAWEHFA-ONGXEEELSA-N -1 1 264.321 3.258 20 0 CGADMM C/C=C/[C@@H](Oc1cnnc(=S)[n-]1)C1CCCCC1 ZINC001228642798 817961518 /nfs/dbraw/zinc/96/15/18/817961518.db2.gz VDZKDWXMFBQVKU-SZHMKSFOSA-N -1 1 265.382 3.064 20 0 CGADMM Cc1ccc(C)c2c1CCC[C@H]2Oc1cnnc(=S)[n-]1 ZINC001228642513 817961608 /nfs/dbraw/zinc/96/16/08/817961608.db2.gz PZSSZAUTNGROSJ-GFCCVEGCSA-N -1 1 287.388 3.234 20 0 CGADMM CC1(C)CC[C@@H](COc2[n-]c(=S)nc3ccccc32)O1 ZINC001228760056 818001302 /nfs/dbraw/zinc/00/13/02/818001302.db2.gz IZUYRYMJDTYCDV-JTQLQIEISA-N -1 1 290.388 3.255 20 0 CGADMM S=c1nc2ccccc2c(OCCOC2CCCC2)[n-]1 ZINC001228766466 818002938 /nfs/dbraw/zinc/00/29/38/818002938.db2.gz UCOXSVSHSIALAS-UHFFFAOYSA-N -1 1 290.388 3.257 20 0 CGADMM FC1(F)CC(Oc2[n-]c(=S)nc3ccccc32)C1 ZINC001228765839 818003678 /nfs/dbraw/zinc/00/36/78/818003678.db2.gz OPFGUWMTDYEFMM-UHFFFAOYSA-N -1 1 268.288 3.095 20 0 CGADMM [O-]c1cc(CN2CCc3c(F)cccc3C2)cc(F)c1F ZINC001232975894 818490562 /nfs/dbraw/zinc/49/05/62/818490562.db2.gz REGDXMIFBXSYNA-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM C[C@@]1(F)CCCCN(Cc2cc(Cl)ncc2[O-])C1 ZINC001233032260 818506198 /nfs/dbraw/zinc/50/61/98/818506198.db2.gz HSYPOPOJMJRHOU-CYBMUJFWSA-N -1 1 272.751 3.155 20 0 CGADMM [O-]c1ccc(-c2ccc3ncsc3n2)c(F)c1F ZINC001243338379 823352982 /nfs/dbraw/zinc/35/29/82/823352982.db2.gz FOLFRKZDXBFFAY-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM COC(=O)c1cccc(-c2ccc([O-])c(F)c2F)c1 ZINC001243339884 823354009 /nfs/dbraw/zinc/35/40/09/823354009.db2.gz SMTRFDJPQBMMCD-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OC[C@@H](CC)OC ZINC001233649632 818668877 /nfs/dbraw/zinc/66/88/77/818668877.db2.gz BGKRQRKAZGUVKP-GFCCVEGCSA-N -1 1 266.337 3.179 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C)COCC ZINC001233649837 818670016 /nfs/dbraw/zinc/67/00/16/818670016.db2.gz CVHWFBLNYOKQAA-NSHDSACASA-N -1 1 266.337 3.179 20 0 CGADMM COc1c(F)cccc1-c1ccc([O-])c(F)c1F ZINC001243342417 823356905 /nfs/dbraw/zinc/35/69/05/823356905.db2.gz NAMDQLTXFICJTK-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COC(=O)c1ccc(-c2ccc([O-])c(F)c2F)c(F)c1 ZINC001243342179 823357073 /nfs/dbraw/zinc/35/70/73/823357073.db2.gz KDCPXPYRUYRVON-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM Cn1cnc2c1cccc2-c1ccc([O-])c(F)c1F ZINC001243342089 823357663 /nfs/dbraw/zinc/35/76/63/823357663.db2.gz BQPYYQMYHMDNHC-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM COc1nccc(C)c1-c1ccc([O-])c(F)c1F ZINC001243342221 823357672 /nfs/dbraw/zinc/35/76/72/823357672.db2.gz BAYOZRSRJNDMJY-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CC(C)Cn1ccc(-c2ccc([O-])c(F)c2F)cc1=O ZINC001243343663 823358813 /nfs/dbraw/zinc/35/88/13/823358813.db2.gz LWMOPYXPKOWPLV-UHFFFAOYSA-N -1 1 279.286 3.155 20 0 CGADMM [O-]c1ccc(-c2cnc(N3CCCCC3)nc2)c(F)c1F ZINC001243342961 823359684 /nfs/dbraw/zinc/35/96/84/823359684.db2.gz RYGNJMQXFANEIH-UHFFFAOYSA-N -1 1 291.301 3.118 20 0 CGADMM COC(=O)c1cccc2[n-]c(O[C@@H]3CCCC[C@@H]3F)nc21 ZINC001234043579 818766642 /nfs/dbraw/zinc/76/66/42/818766642.db2.gz DNDHIFQKRRJQDB-CMPLNLGQSA-N -1 1 292.310 3.009 20 0 CGADMM COC(=O)c1cccc2nc(O[C@@H]3CCCC[C@@H]3F)[n-]c21 ZINC001234043579 818766650 /nfs/dbraw/zinc/76/66/50/818766650.db2.gz DNDHIFQKRRJQDB-CMPLNLGQSA-N -1 1 292.310 3.009 20 0 CGADMM CC(C)[C@H](Oc1nc2sccc2[n-]1)C(=O)OC(C)(C)C ZINC001234847408 818932132 /nfs/dbraw/zinc/93/21/32/818932132.db2.gz JAQCNHHJPPTNDB-JTQLQIEISA-N -1 1 296.392 3.370 20 0 CGADMM CCOC(=O)c1ccc(-c2c(F)ccc(C)c2[O-])nc1C ZINC001236389898 819446647 /nfs/dbraw/zinc/44/66/47/819446647.db2.gz HGXBAXHCZALMLM-UHFFFAOYSA-N -1 1 289.306 3.387 20 0 CGADMM CCOc1ccc(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243503792 823422175 /nfs/dbraw/zinc/42/21/75/823422175.db2.gz VNYCRWVIQQUTAI-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM CCC(=O)NCc1cccc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243504294 823422248 /nfs/dbraw/zinc/42/22/48/823422248.db2.gz NYPSVNYNIFHFPX-UHFFFAOYSA-N -1 1 291.297 3.364 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cccnc1OC(F)F ZINC001243503925 823422406 /nfs/dbraw/zinc/42/24/06/823422406.db2.gz HOBGFRZHNPCHDS-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM COc1cc(F)c(-c2cc(F)cc(F)c2[O-])cc1OC ZINC001243506701 823424778 /nfs/dbraw/zinc/42/47/78/823424778.db2.gz JPJXQHDFXRFHIP-UHFFFAOYSA-N -1 1 284.233 3.494 20 0 CGADMM CC(C)n1ccc(-c2cc(F)cc(F)c2[O-])cc1=O ZINC001243506386 823423862 /nfs/dbraw/zinc/42/38/62/823423862.db2.gz UWYBWYMQENYXIE-UHFFFAOYSA-N -1 1 265.259 3.080 20 0 CGADMM COC(=O)c1ccc(C)nc1-c1ccc(Cl)c([O-])c1 ZINC001243576066 823451378 /nfs/dbraw/zinc/45/13/78/823451378.db2.gz ASRGHZZQJIOEMM-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CCc1nc(-c2ccc(Cl)c([O-])c2)ncc1F ZINC001243575999 823451429 /nfs/dbraw/zinc/45/14/29/823451429.db2.gz DELMSQRPBOPKJG-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM [O-]c1cc(-c2nccc3nccnc32)ccc1Cl ZINC001243577052 823451479 /nfs/dbraw/zinc/45/14/79/823451479.db2.gz RNBPMKYXQVPCGX-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM COc1cc(-c2ccc(Cl)c([O-])c2)cnc1OC ZINC001243578077 823452128 /nfs/dbraw/zinc/45/21/28/823452128.db2.gz LLPGQSUAUIKLTE-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM O=C1C[C@@H](c2cccc(-c3ccc(Cl)c([O-])c3)c2)CN1 ZINC001243577689 823452215 /nfs/dbraw/zinc/45/22/15/823452215.db2.gz CABFSZWBSKZASO-CYBMUJFWSA-N -1 1 287.746 3.316 20 0 CGADMM [O-]c1cc(-c2cc(N3CCCCC3)ncn2)ccc1Cl ZINC001243578167 823452262 /nfs/dbraw/zinc/45/22/62/823452262.db2.gz BROHQHNBHCZYBM-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1cc2cncnc2cn1 ZINC001243607237 823465694 /nfs/dbraw/zinc/46/56/94/823465694.db2.gz OPUASDQPEXEAPV-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM Cc1cc(-c2ccc(C(F)(F)F)cc2[O-])nnc1C ZINC001243607901 823465777 /nfs/dbraw/zinc/46/57/77/823465777.db2.gz RGSYKFQIMCNRKW-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM COCc1cc(-c2ccc(C(F)(F)F)cc2[O-])ncn1 ZINC001243609407 823466324 /nfs/dbraw/zinc/46/63/24/823466324.db2.gz RXBRJZFSOPATAT-UHFFFAOYSA-N -1 1 284.237 3.014 20 0 CGADMM Cn1ccc2c1ccnc2-c1cccc(/C=C/C(=O)[O-])c1 ZINC001240547183 821132891 /nfs/dbraw/zinc/13/28/91/821132891.db2.gz QZRQFJYZTIXUQY-AATRIKPKSA-N -1 1 278.311 3.338 20 0 CGADMM CSc1nc2c(c(-c3cc(F)ccc3[O-])n1)CCC2 ZINC001240694498 821251350 /nfs/dbraw/zinc/25/13/50/821251350.db2.gz VUNKNIUGPZGLMW-UHFFFAOYSA-N -1 1 276.336 3.199 20 0 CGADMM CCc1noc(-c2ccnc(-c3cc(F)ccc3[O-])c2)n1 ZINC001240695379 821251515 /nfs/dbraw/zinc/25/15/15/821251515.db2.gz ITBAGYBOIJATRN-UHFFFAOYSA-N -1 1 285.278 3.206 20 0 CGADMM COc1cc(C(=O)[O-])ccc1-c1nc(C)cc2[nH]ccc21 ZINC001240734426 821287211 /nfs/dbraw/zinc/28/72/11/821287211.db2.gz ZUXOBWLJCPHFFE-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM CCOc1cc(-c2ccc([O-])c(F)c2)nc(SC)n1 ZINC001240782210 821321322 /nfs/dbraw/zinc/32/13/22/821321322.db2.gz UMLLFBQKFOPERV-UHFFFAOYSA-N -1 1 280.324 3.109 20 0 CGADMM [O-]c1ccc(-c2cncc(N3CCCCCC3)n2)cc1F ZINC001240786477 821327273 /nfs/dbraw/zinc/32/72/73/821327273.db2.gz UYXWIULZVAAIFL-UHFFFAOYSA-N -1 1 287.338 3.369 20 0 CGADMM [O-]c1ccc(-c2c3ncnn3ccc2C(F)(F)F)cc1F ZINC001240789047 821331235 /nfs/dbraw/zinc/33/12/35/821331235.db2.gz RGLCKQCWMKHBNK-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(N(C)C)cc3)ccc2[n-]1 ZINC001240914686 821411216 /nfs/dbraw/zinc/41/12/16/821411216.db2.gz OWLWFNNOUOITMP-UHFFFAOYSA-N -1 1 295.342 3.083 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(N(C)C)cc3)cc2[n-]1 ZINC001240914686 821411220 /nfs/dbraw/zinc/41/12/20/821411220.db2.gz OWLWFNNOUOITMP-UHFFFAOYSA-N -1 1 295.342 3.083 20 0 CGADMM [O-]c1cc(F)c(-c2nncc3ccc(F)cc32)c(F)c1 ZINC001241119036 821574113 /nfs/dbraw/zinc/57/41/13/821574113.db2.gz WADBXFRLVSRKTF-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM [O-]c1cc(F)c(-c2cnc(OC(F)(F)F)cn2)c(F)c1 ZINC001241118850 821574368 /nfs/dbraw/zinc/57/43/68/821574368.db2.gz HNPYXZZQWRDJHK-UHFFFAOYSA-N -1 1 292.163 3.026 20 0 CGADMM Nc1cc(C(F)(F)F)cnc1-c1c(F)cc([O-])cc1F ZINC001241120146 821576198 /nfs/dbraw/zinc/57/61/98/821576198.db2.gz LRNCENMBHJGGPZ-UHFFFAOYSA-N -1 1 290.191 3.333 20 0 CGADMM O=C1OCc2ccc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241120572 821576324 /nfs/dbraw/zinc/57/63/24/821576324.db2.gz AXHQOLLNLWWVHJ-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM CN1Cc2c(cccc2-c2c(F)cc([O-])cc2F)NC1=O ZINC001241121100 821577118 /nfs/dbraw/zinc/57/71/18/821577118.db2.gz BKCUCZFJICSVCN-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM [O-]c1cc(F)c(-c2ccnc3ncccc32)c(F)c1 ZINC001241121286 821577190 /nfs/dbraw/zinc/57/71/90/821577190.db2.gz GBXKZGIALLDVNK-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(F)c(-c2cccc(C3OCCO3)c2)c(F)c1 ZINC001241122042 821578334 /nfs/dbraw/zinc/57/83/34/821578334.db2.gz JVJRHTJZFBJLDI-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM [O-]c1cc(F)c(-c2ncc(F)c3[nH]ccc32)c(F)c1 ZINC001241125469 821580936 /nfs/dbraw/zinc/58/09/36/821580936.db2.gz YDAUVNKCLMTZEP-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM COCOc1cc(-c2c(F)cc([O-])cc2F)ccc1F ZINC001241124179 821582035 /nfs/dbraw/zinc/58/20/35/821582035.db2.gz CFRCQRVGSFKOKM-UHFFFAOYSA-N -1 1 284.233 3.459 20 0 CGADMM CCSc1cncc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290314 821706734 /nfs/dbraw/zinc/70/67/34/821706734.db2.gz PJHZMIAWXRXJFW-UHFFFAOYSA-N -1 1 268.288 3.239 20 0 CGADMM CC(C)(C)c1cc(-c2c(F)ccc([O-])c2F)ncn1 ZINC001241290489 821706785 /nfs/dbraw/zinc/70/67/85/821706785.db2.gz SZROLIUEBZQTCY-UHFFFAOYSA-N -1 1 264.275 3.425 20 0 CGADMM Nc1cc(-c2c(F)ccc([O-])c2F)nc(C(F)(F)F)c1 ZINC001241289184 821706945 /nfs/dbraw/zinc/70/69/45/821706945.db2.gz MTKJYLGOCLGDCF-UHFFFAOYSA-N -1 1 290.191 3.333 20 0 CGADMM CSc1c[nH]c2ncnc(-c3c(F)ccc([O-])c3F)c12 ZINC001241289720 821707081 /nfs/dbraw/zinc/70/70/81/821707081.db2.gz YTTBKSQGZHRLQG-UHFFFAOYSA-N -1 1 293.298 3.282 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3ccccc32)c1F ZINC001241291300 821708313 /nfs/dbraw/zinc/70/83/13/821708313.db2.gz WAFCUOZRVWPASF-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOC(=O)c1cc(C)cnc1-c1c(F)ccc([O-])c1F ZINC001241291676 821709299 /nfs/dbraw/zinc/70/92/99/821709299.db2.gz QSXIANOFVTVUMI-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM [O-]c1ccc(F)c(-c2nc(F)c(F)cc2F)c1F ZINC001241293490 821710462 /nfs/dbraw/zinc/71/04/62/821710462.db2.gz YXZADLPWXMPVOW-UHFFFAOYSA-N -1 1 261.149 3.150 20 0 CGADMM Cc1cc2c(c(-c3cccc(C(C)C)c3)n1)C(=O)[N-]C2=O ZINC001241738190 822115935 /nfs/dbraw/zinc/11/59/35/822115935.db2.gz YUWGUHDEKDYMPZ-UHFFFAOYSA-N -1 1 280.327 3.064 20 0 CGADMM Cc1cnc(-c2cc(C(F)(F)F)ccc2[O-])cn1 ZINC001242125972 822886374 /nfs/dbraw/zinc/88/63/74/822886374.db2.gz DCQXPZXKCDCGNX-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccc(O)c(C)c3)ccc2[n-]1 ZINC001242126076 822886711 /nfs/dbraw/zinc/88/67/11/822886711.db2.gz JICSBDUFAQGIMB-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccc(O)c(C)c3)cc2[n-]1 ZINC001242126076 822886715 /nfs/dbraw/zinc/88/67/15/822886715.db2.gz JICSBDUFAQGIMB-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM COC(=O)c1ccnc(-c2cc(C(F)(F)F)ccc2[O-])c1 ZINC001242126503 822887435 /nfs/dbraw/zinc/88/74/35/822887435.db2.gz MSLINUXFTPMRRR-UHFFFAOYSA-N -1 1 297.232 3.260 20 0 CGADMM COc1nc(-c2ccc([O-])c(C(F)(F)F)c2)ncc1F ZINC001242151377 822895764 /nfs/dbraw/zinc/89/57/64/822895764.db2.gz KZDJWZQXYXRABH-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM Nc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)c(F)c1 ZINC001242152864 822896624 /nfs/dbraw/zinc/89/66/24/822896624.db2.gz MAYAZAMVSUKCQU-UHFFFAOYSA-N -1 1 272.201 3.194 20 0 CGADMM COC(=O)c1cc(F)c(F)cc1-c1ccc(F)cc1[O-] ZINC001242220652 822916817 /nfs/dbraw/zinc/91/68/17/822916817.db2.gz JKKBXYCNJSIHQI-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM CCCNc1nc(-c2cccc(C)c2[O-])ncc1C ZINC001242343522 822957245 /nfs/dbraw/zinc/95/72/45/822957245.db2.gz WLECTJJVBOSMSC-UHFFFAOYSA-N -1 1 257.337 3.288 20 0 CGADMM CC(=O)Nc1ccc(-c2cccc(F)c2[O-])c(F)c1 ZINC001242351231 822961224 /nfs/dbraw/zinc/96/12/24/822961224.db2.gz STVSUERPLDSNAH-UHFFFAOYSA-N -1 1 263.243 3.296 20 0 CGADMM COc1cc(F)c(F)cc1-c1cccc(F)c1[O-] ZINC001242351761 822962133 /nfs/dbraw/zinc/96/21/33/822962133.db2.gz RRODBBNDKRFOEL-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CCNC(=O)c1ccccc1-c1cccc(Cl)c1[O-] ZINC001242364512 822968451 /nfs/dbraw/zinc/96/84/51/822968451.db2.gz LPGSZDFSYZQYHW-UHFFFAOYSA-N -1 1 275.735 3.462 20 0 CGADMM CN1C(=O)NCc2cccc(-c3cccc(Cl)c3[O-])c21 ZINC001242365342 822968692 /nfs/dbraw/zinc/96/86/92/822968692.db2.gz AQEKTWMVDPEYEV-UHFFFAOYSA-N -1 1 288.734 3.372 20 0 CGADMM [O-]c1c(Cl)cccc1-c1ccc(-c2nc[nH]n2)cc1 ZINC001242366558 822968926 /nfs/dbraw/zinc/96/89/26/822968926.db2.gz PJUBLWHNEOXACS-UHFFFAOYSA-N -1 1 271.707 3.498 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCC[C@@H](F)C1 ZINC001339541209 936376084 /nfs/dbraw/zinc/37/60/84/936376084.db2.gz ZXWLRHWMYDDKJN-JGVFFNPUSA-N -1 1 273.254 3.137 20 0 CGADMM Cc1cccc2c1C(=O)N[C@H](c1cccc(Cl)c1[O-])N2 ZINC000124745327 926950273 /nfs/dbraw/zinc/95/02/73/926950273.db2.gz OACGASXATKVFQY-CQSZACIVSA-N -1 1 288.734 3.208 20 0 CGADMM C[C@H](C(=O)[N-]OCCC(F)(F)F)c1ccc(F)c(F)c1 ZINC001320469812 928492384 /nfs/dbraw/zinc/49/23/84/928492384.db2.gz PBTHYIOHUIAYIB-ZETCQYMHSA-N -1 1 297.223 3.069 20 0 CGADMM CCCC[C@@H](CCC)CNC(=O)c1ncc(C)cc1[O-] ZINC001465837083 928800493 /nfs/dbraw/zinc/80/04/93/928800493.db2.gz ADLHRCORDGKNAF-CYBMUJFWSA-N -1 1 278.396 3.432 20 0 CGADMM Cc1nocc1[N-]C(=O)c1c(C)onc1-c1ccccc1 ZINC001437284573 937292804 /nfs/dbraw/zinc/29/28/04/937292804.db2.gz CBRNZLOSURLBFN-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM O=C(NCc1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC001440560855 937330934 /nfs/dbraw/zinc/33/09/34/937330934.db2.gz MOTOSERSDQKCPO-UHFFFAOYSA-N -1 1 295.260 3.341 20 0 CGADMM CCCc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)no1 ZINC001446466502 937363480 /nfs/dbraw/zinc/36/34/80/937363480.db2.gz GPJHQKVCHIROCJ-UHFFFAOYSA-N -1 1 280.711 3.238 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cccc(C)c2O)c1 ZINC001447050577 937366349 /nfs/dbraw/zinc/36/63/49/937366349.db2.gz CKRZOUOPXJDXFA-UHFFFAOYSA-N -1 1 289.356 3.380 20 0 CGADMM CCC[C@@H]1C[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC001450897435 937387555 /nfs/dbraw/zinc/38/75/55/937387555.db2.gz NTCGROGBZNEUQM-HTQZYQBOSA-N -1 1 255.264 3.045 20 0 CGADMM CSc1cc(C(=O)Nc2c([O-])cccc2F)c(C)o1 ZINC001453018038 937399919 /nfs/dbraw/zinc/39/99/19/937399919.db2.gz RSPZTLXRYDGZEA-UHFFFAOYSA-N -1 1 281.308 3.407 20 0 CGADMM Cc1cc(NC(=O)c2cccc([O-])c2F)cs1 ZINC001454256703 937407626 /nfs/dbraw/zinc/40/76/26/937407626.db2.gz LGWZYNGYFMNRAF-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(F)c1[O-] ZINC001454756583 937412234 /nfs/dbraw/zinc/41/22/34/937412234.db2.gz LURFNZSPCMZKGD-SECBINFHSA-N -1 1 293.269 3.076 20 0 CGADMM CC(C)Oc1cc([O-])ccc1C(=O)Cc1ccc(O)cc1 ZINC001229433934 932150373 /nfs/dbraw/zinc/15/03/73/932150373.db2.gz SKZKAXRDDSPBMM-UHFFFAOYSA-N -1 1 286.327 3.310 20 0 CGADMM Cc1cc(NCc2cccc([O-])c2Cl)cc(C(N)=O)c1 ZINC001461520693 937584363 /nfs/dbraw/zinc/58/43/63/937584363.db2.gz QMCBFQJUQKQQAU-UHFFFAOYSA-N -1 1 290.750 3.065 20 0 CGADMM CC[C@@H](Oc1nc(C(=O)OC)c[n-]1)c1cccc(F)c1C ZINC001230281960 932551211 /nfs/dbraw/zinc/55/12/11/932551211.db2.gz MMTLXZKFOYYRRO-CYBMUJFWSA-N -1 1 292.310 3.174 20 0 CGADMM COc1ccc(Cl)cc1Nc1cc(=O)[n-]c(SC)n1 ZINC001250204615 932718709 /nfs/dbraw/zinc/71/87/09/932718709.db2.gz MESZVULQKGESIR-UHFFFAOYSA-N -1 1 297.767 3.310 20 0 CGADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2)c(Cl)n1 ZINC001250290794 932720020 /nfs/dbraw/zinc/72/00/20/932720020.db2.gz LIRDOGIPJQISGV-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001304220495 932847401 /nfs/dbraw/zinc/84/74/01/932847401.db2.gz WNFTXNWCXMCGBZ-ZFWWWQNUSA-N -1 1 289.350 3.182 20 0 CGADMM O=c1nc(NCCCc2ccccc2F)cc(Cl)[n-]1 ZINC001307113686 932915987 /nfs/dbraw/zinc/91/59/87/932915987.db2.gz OMCWBVQGGFRLTC-UHFFFAOYSA-N -1 1 281.718 3.019 20 0 CGADMM Cc1nc(SC[C@@H]2CCC(C)(C)CO2)[n-]c(=O)c1C ZINC001307322941 932941112 /nfs/dbraw/zinc/94/11/12/932941112.db2.gz HLTODEUSEHEUAA-NSHDSACASA-N -1 1 282.409 3.096 20 0 CGADMM CSc1ccc([O-])c(C(=O)N2CCc3ccccc32)c1 ZINC001463622018 937678089 /nfs/dbraw/zinc/67/80/89/937678089.db2.gz SOYHHHSAXMANRP-UHFFFAOYSA-N -1 1 285.368 3.317 20 0 CGADMM C[C@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC001312851809 933401988 /nfs/dbraw/zinc/40/19/88/933401988.db2.gz YYCDDCQHSYEVST-JTQLQIEISA-N -1 1 296.798 3.424 20 0 CGADMM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc([O-])cn1 ZINC001463992006 937684228 /nfs/dbraw/zinc/68/42/28/937684228.db2.gz NLCCORJNGHOSDG-LLVKDONJSA-N -1 1 296.326 3.367 20 0 CGADMM CC[C@H](C)Oc1ccc(NC(=O)c2ccc([O-])cn2)cc1 ZINC001464452716 937690786 /nfs/dbraw/zinc/69/07/86/937690786.db2.gz YATMCAKNBUMQKE-NSHDSACASA-N -1 1 286.331 3.217 20 0 CGADMM O=C(Nc1ccc(O)c(Cl)c1)c1c(F)ccc([O-])c1F ZINC001466225722 937707392 /nfs/dbraw/zinc/70/73/92/937707392.db2.gz RCNSYTJHYCVDDA-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1cccc2ccn(C)c21 ZINC001466915135 937713173 /nfs/dbraw/zinc/71/31/73/937713173.db2.gz ZITDIBXTVCXXEU-UHFFFAOYSA-N -1 1 296.326 3.145 20 0 CGADMM CC(C)c1ocnc1COC(=O)c1c([O-])cc(F)cc1F ZINC001319738750 933923333 /nfs/dbraw/zinc/92/33/33/933923333.db2.gz HVWBWWQZISIHAN-UHFFFAOYSA-N -1 1 297.257 3.139 20 0 CGADMM Cc1cc(C)c(C(=O)Nc2cc([O-])c(F)cc2F)c(C)n1 ZINC001468747851 937731455 /nfs/dbraw/zinc/73/14/55/937731455.db2.gz MIXRRZFKBMYWFO-UHFFFAOYSA-N -1 1 292.285 3.243 20 0 CGADMM O=C(Nc1ccc(O)cc1Cl)c1ccc([O-])c(F)c1 ZINC001470054735 937747474 /nfs/dbraw/zinc/74/74/74/937747474.db2.gz LPWFRKKLLGITTO-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM Nc1c(F)c(Cl)ccc1C(=O)Nc1cccc(F)c1[O-] ZINC001471167849 937761970 /nfs/dbraw/zinc/76/19/70/937761970.db2.gz INFKZLRXTDHPLH-UHFFFAOYSA-N -1 1 298.676 3.158 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccc2ncsc2c1 ZINC001471166589 937762147 /nfs/dbraw/zinc/76/21/47/937762147.db2.gz MHJRNUQAEVDLJL-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM Cc1nc(C)c(C(=O)NCc2ccc([O-])c(Cl)c2)s1 ZINC001471699544 937768263 /nfs/dbraw/zinc/76/82/63/937768263.db2.gz IUEKTGNPUVUFIA-UHFFFAOYSA-N -1 1 296.779 3.049 20 0 CGADMM CCC(CC)[C@H](C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001472040849 937772099 /nfs/dbraw/zinc/77/20/99/937772099.db2.gz BDUZRSRIGWYEBO-JTQLQIEISA-N -1 1 299.361 3.401 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cc(F)ccn2)c([O-])c1 ZINC001472595770 937777835 /nfs/dbraw/zinc/77/78/35/937777835.db2.gz DYRGMLMMLSOVKH-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H]2CCc3c2cccc3F)n1 ZINC001326709649 935000582 /nfs/dbraw/zinc/00/05/82/935000582.db2.gz OMIDUYTZTJXLRM-GFCCVEGCSA-N -1 1 292.335 3.115 20 0 CGADMM CCc1nc(SCc2ncoc2C(C)C)[n-]c(=O)c1C ZINC001327236821 935046598 /nfs/dbraw/zinc/04/65/98/935046598.db2.gz OQFYEEULDIKRNT-UHFFFAOYSA-N -1 1 293.392 3.457 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001330786464 935321983 /nfs/dbraw/zinc/32/19/83/935321983.db2.gz ISNZHMRGYWIIQX-BRPSZJMVSA-N -1 1 296.164 3.139 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CC12CCCC2 ZINC001331874980 935417073 /nfs/dbraw/zinc/41/70/73/935417073.db2.gz UCXZGRNBINIZPW-NSHDSACASA-N -1 1 279.767 3.242 20 0 CGADMM CSc1c(F)cccc1[N-]C(=O)c1ocnc1C ZINC001531812620 938083057 /nfs/dbraw/zinc/08/30/57/938083057.db2.gz MMAGJYLWDBBPHW-UHFFFAOYSA-N -1 1 266.297 3.096 20 0 CGADMM COc1cccc(NC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC001540360868 938130464 /nfs/dbraw/zinc/13/04/64/938130464.db2.gz ILWQRZYOQJTXMO-UHFFFAOYSA-N -1 1 291.734 3.235 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1C[C@@H]2[C@@H](C1)C1CCC2CC1 ZINC001549421900 938157046 /nfs/dbraw/zinc/15/70/46/938157046.db2.gz BXURERSVZGWJDA-OQSWDALSSA-N -1 1 289.350 3.040 20 0 CGADMM O=C(NC[C@@H]1CCCC2(CC2)C1)c1c(F)ccc([O-])c1F ZINC001551836612 938187478 /nfs/dbraw/zinc/18/74/78/938187478.db2.gz KRPZYZUBZUVZJO-SNVBAGLBSA-N -1 1 295.329 3.371 20 0 CGADMM O=C(NCC1(C2CCC2)CCC1)c1cc(F)ccc1[O-] ZINC001556932815 938206732 /nfs/dbraw/zinc/20/67/32/938206732.db2.gz ATTOSCGGUNZXGG-UHFFFAOYSA-N -1 1 277.339 3.232 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2ccc(F)c([O-])c2)cc1C ZINC001557023550 938207383 /nfs/dbraw/zinc/20/73/83/938207383.db2.gz SCVJZRIIYRZOAI-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM CCOc1ccccc1C(=O)Nc1cccc(F)c1[O-] ZINC001557957909 938212696 /nfs/dbraw/zinc/21/26/96/938212696.db2.gz WPLANBNHBRJCRS-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM Cc1ccc(Cl)cc1CNC(=O)c1ccc(F)c([O-])c1 ZINC001558686321 938217297 /nfs/dbraw/zinc/21/72/97/938217297.db2.gz PONZDJGIEZMMTE-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM C[C@H]1CC(C)(C)CN1Cc1ncc(Br)cc1[O-] ZINC001560888988 938282154 /nfs/dbraw/zinc/28/21/54/938282154.db2.gz KULGFHKRNAWDHX-VIFPVBQESA-N -1 1 299.212 3.170 20 0 CGADMM O=C([O-])[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C1CC1 ZINC001594844852 954130360 /nfs/dbraw/zinc/13/03/60/954130360.db2.gz XULJEFNIEARCTK-SNVBAGLBSA-N -1 1 282.752 3.172 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000086725171 957975571 /nfs/dbraw/zinc/97/55/71/957975571.db2.gz VIDCDIOYLUEPNZ-UHFFFAOYSA-N -1 1 291.297 3.295 20 0 CGADMM Cc1cccc(F)c1CNCc1ccc(C(=O)[O-])s1 ZINC001594404976 958895758 /nfs/dbraw/zinc/89/57/58/958895758.db2.gz NQFOWGGJDRKZHW-UHFFFAOYSA-N -1 1 279.336 3.184 20 0 CGADMM O=C([O-])[C@H](NCc1ccc(F)cc1)c1ccccc1Cl ZINC000211415455 959685516 /nfs/dbraw/zinc/68/55/16/959685516.db2.gz FKNFBXHOGMQDIX-CQSZACIVSA-N -1 1 293.725 3.395 20 0 CGADMM C[C@H](NCc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000231028744 960181724 /nfs/dbraw/zinc/18/17/24/960181724.db2.gz JOAFDAKSPAMKGB-NSHDSACASA-N -1 1 273.307 3.375 20 0 CGADMM CC1(C)CCCC[C@@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001566319592 960924071 /nfs/dbraw/zinc/92/40/71/960924071.db2.gz MZYLIOINBVWXRV-ZDUSSCGKSA-N -1 1 265.328 3.230 20 0 CGADMM CC1(C)CC(CNC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001567710794 961404976 /nfs/dbraw/zinc/40/49/76/961404976.db2.gz YIZYYFMGDOWUJO-UHFFFAOYSA-N -1 1 299.370 3.417 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCC2(CCCC2)CC1 ZINC001569479938 961780481 /nfs/dbraw/zinc/78/04/81/961780481.db2.gz LBAAGJUOALPPBF-UHFFFAOYSA-N -1 1 277.339 3.328 20 0 CGADMM C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC001570464646 961969598 /nfs/dbraw/zinc/96/95/98/961969598.db2.gz KRNIOVZZBPRQBX-GXSJLCMTSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])c1ccco1 ZINC001570464401 961971410 /nfs/dbraw/zinc/97/14/10/961971410.db2.gz ALMPPUZLUUGRJR-SSDOTTSWSA-N -1 1 267.231 3.006 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1nc(Cl)cs1 ZINC001570465959 961974131 /nfs/dbraw/zinc/97/41/31/961974131.db2.gz WPOSRBSHWOZRJE-UHFFFAOYSA-N -1 1 290.678 3.033 20 0 CGADMM COc1cccc(C(=O)Nc2cc(F)cc(F)c2[O-])c1C ZINC001570465971 961981228 /nfs/dbraw/zinc/98/12/28/961981228.db2.gz XGUSOTXKYKKQSP-UHFFFAOYSA-N -1 1 293.269 3.240 20 0 CGADMM CCOc1cccc(Cl)c1CN(CC(=O)[O-])C1CCC1 ZINC001573925257 962294473 /nfs/dbraw/zinc/29/44/73/962294473.db2.gz XTJALLOEABFJLU-UHFFFAOYSA-N -1 1 297.782 3.178 20 0 CGADMM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([O-])cn1 ZINC001584735559 962948470 /nfs/dbraw/zinc/94/84/70/962948470.db2.gz AGAKKIHSZNQTBQ-JSGCOSHPSA-N -1 1 276.380 3.122 20 0 CGADMM Cc1cccc(CC2CN(C(=O)c3cccc([O-])c3F)C2)c1 ZINC001585469771 963016646 /nfs/dbraw/zinc/01/66/46/963016646.db2.gz IPYQCKARDLXKKE-UHFFFAOYSA-N -1 1 299.345 3.154 20 0 CGADMM CC[C@H]1CCC[C@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001586481013 963109378 /nfs/dbraw/zinc/10/93/78/963109378.db2.gz PRFAHOIKWZLUBT-JQWIXIFHSA-N -1 1 265.328 3.230 20 0 CGADMM CCCc1cc(C(=O)[N-]c2cc(C(C)(C)F)on2)no1 ZINC001586734945 963131283 /nfs/dbraw/zinc/13/12/83/963131283.db2.gz NRQRNOIFKRSSSW-UHFFFAOYSA-N -1 1 281.287 3.072 20 0 CGADMM O=C(NCCc1ccc(Cl)cc1)c1cccc([O-])c1F ZINC001586809471 963139695 /nfs/dbraw/zinc/13/96/95/963139695.db2.gz HYUZFVNURPYJCS-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM O=C(CCc1cccnc1Cl)Nc1cccc(F)c1[O-] ZINC001587393583 963191996 /nfs/dbraw/zinc/19/19/96/963191996.db2.gz JAIYYTFODUXCKK-UHFFFAOYSA-N -1 1 294.713 3.151 20 0 CGADMM CC(C)(C)C[C@H]1CCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000307828495 963230271 /nfs/dbraw/zinc/23/02/71/963230271.db2.gz YQMGKBDQYOOARS-SNVBAGLBSA-N -1 1 282.409 3.099 20 0 CGADMM Cc1cccc([C@H](NCc2cc(C)ccc2F)C(=O)[O-])c1 ZINC001605329762 973202055 /nfs/dbraw/zinc/20/20/55/973202055.db2.gz LBPRVXDOQCSUNH-INIZCTEOSA-N -1 1 287.334 3.358 20 0 CGADMM CC[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1ccncc1 ZINC001595299661 980429479 /nfs/dbraw/zinc/42/94/79/980429479.db2.gz BFGWOBJMXNMVCX-IYKSTZQJSA-N -1 1 286.331 3.013 20 0 CGADMM CC/C=C/CN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001595520798 981337529 /nfs/dbraw/zinc/33/75/29/981337529.db2.gz KFZXAJGKQQTVDQ-AAOUONPWSA-N -1 1 271.719 3.161 20 0 CGADMM CCCC[C@H](N[C@H](CC)c1nc(C)cs1)C(=O)[O-] ZINC001595637937 981938132 /nfs/dbraw/zinc/93/81/32/981938132.db2.gz YYMAMYGEYNNGKJ-MNOVXSKESA-N -1 1 270.398 3.136 20 0 CGADMM CCCc1nc(C)c(CN[C@@H](C(=O)[O-])C2CCCCC2)o1 ZINC001596083309 983405078 /nfs/dbraw/zinc/40/50/78/983405078.db2.gz KPKBLKHRBFSESH-OAHLLOKOSA-N -1 1 294.395 3.059 20 0 CGADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)[C@@H]1C ZINC001594536776 986155907 /nfs/dbraw/zinc/15/59/07/986155907.db2.gz FPBKKYAUYNZVDD-RKDXNWHRSA-N -1 1 287.281 3.244 20 0 CGADMM C[C@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])cc1F ZINC001594623229 986672287 /nfs/dbraw/zinc/67/22/87/986672287.db2.gz VOPVESOEQDQTBG-LBPRGKRZSA-N -1 1 299.345 3.471 20 0 CGADMM CCOc1cccc(Cl)c1CN(C)C(C)(C)C(=O)[O-] ZINC001597155000 986946215 /nfs/dbraw/zinc/94/62/15/986946215.db2.gz FYTLJOLMAHRZSK-UHFFFAOYSA-N -1 1 285.771 3.034 20 0 CGADMM CCS[C@H]1CCCCN([C@@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001597258230 987266297 /nfs/dbraw/zinc/26/62/97/987266297.db2.gz ILTAXSLSDULRRJ-QWRGUYRKSA-N -1 1 298.408 3.041 20 0 CGADMM C[N@@H+](Cc1cc2cnccc2o1)Cc1ccc(C(=O)[O-])cc1 ZINC001598513872 992596805 /nfs/dbraw/zinc/59/68/05/992596805.db2.gz FJPBZSQXXKHXOH-UHFFFAOYSA-N -1 1 296.326 3.158 20 0 CGADMM CN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1ccccc1 ZINC001598529569 992761940 /nfs/dbraw/zinc/76/19/40/992761940.db2.gz HRMDSRFZKCLIEQ-UHFFFAOYSA-N -1 1 284.359 3.222 20 0 CGADMM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])cs1)c1cncs1 ZINC001593196193 994152963 /nfs/dbraw/zinc/15/29/63/994152963.db2.gz GGUJLKUZHZEZGO-JGVFFNPUSA-N -1 1 282.390 3.315 20 0 CGADMM C[C@@H](N[C@H](C)c1cc(C(=O)[O-])co1)c1ccsc1 ZINC001593199677 994180085 /nfs/dbraw/zinc/18/00/85/994180085.db2.gz YHSWEXBDWIMIKM-RKDXNWHRSA-N -1 1 265.334 3.451 20 0 CGADMM C[C@H](NCc1cccs1)c1ccccc1OCC(=O)[O-] ZINC001593304654 994750623 /nfs/dbraw/zinc/75/06/23/994750623.db2.gz QOEAJUQBZBBAGZ-NSHDSACASA-N -1 1 291.372 3.062 20 0 CGADMM C[C@H](c1c(F)cccc1F)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593686783 996124741 /nfs/dbraw/zinc/12/47/41/996124741.db2.gz MVEKXACVPRGOTA-HBNTYKKESA-N -1 1 283.318 3.068 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@H]1C1CCCC1 ZINC000651586978 398256123 /nfs/dbraw/zinc/25/61/23/398256123.db2.gz UTXQEAHASRVGMG-NEPJUHHUSA-N -1 1 263.312 3.296 20 0 CGADMM CCC(CC)N(CC(C)C)C(=O)c1ncc(C)cc1[O-] ZINC000330886631 282177400 /nfs/dbraw/zinc/17/74/00/282177400.db2.gz RYXJEAOFLRVEPY-UHFFFAOYSA-N -1 1 278.396 3.382 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(C(F)F)nc1 ZINC000622467249 349681972 /nfs/dbraw/zinc/68/19/72/349681972.db2.gz NKIWDEMCPBDXCQ-UHFFFAOYSA-N -1 1 282.221 3.116 20 0 CGADMM CCc1cc(=O)[n-]c(SCCCCOC(C)(C)C)n1 ZINC000436201664 529567210 /nfs/dbraw/zinc/56/72/10/529567210.db2.gz BKBUVGCZKGMYPP-UHFFFAOYSA-N -1 1 284.425 3.432 20 0 CGADMM CC[C@H](NCc1cccc([O-])c1Cl)C(=O)OC(C)(C)C ZINC000592377234 346980391 /nfs/dbraw/zinc/98/03/91/346980391.db2.gz RLVYNPBRAPXYAP-NSHDSACASA-N -1 1 299.798 3.256 20 0 CGADMM CCC1(C[N-]S(=O)(=O)c2sccc2F)CCCC1 ZINC000338931700 214846039 /nfs/dbraw/zinc/84/60/39/214846039.db2.gz SVFBWLAYYTUYOH-UHFFFAOYSA-N -1 1 291.413 3.136 20 0 CGADMM CCN(Cc1ccc(C(=O)[O-])o1)Cc1cccs1 ZINC000042487892 344984346 /nfs/dbraw/zinc/98/43/46/344984346.db2.gz WGZXJLBSRHFXKO-UHFFFAOYSA-N -1 1 265.334 3.061 20 0 CGADMM O=C([N-]c1cnoc1)c1csc(-c2cccs2)n1 ZINC000623941960 349922840 /nfs/dbraw/zinc/92/28/40/349922840.db2.gz NQZYSNYOWUQZPM-UHFFFAOYSA-N -1 1 277.330 3.112 20 0 CGADMM CC(=O)Nc1c(C)ccc(NC(=O)c2ccccc2[O-])c1C ZINC000055888116 345156833 /nfs/dbraw/zinc/15/68/33/345156833.db2.gz FQSFFUJMDQGTLD-UHFFFAOYSA-N -1 1 298.342 3.220 20 0 CGADMM O=C(NC[C@H]1CCCCS1)c1cc(Cl)ccc1[O-] ZINC000158282862 232236726 /nfs/dbraw/zinc/23/67/26/232236726.db2.gz OSODCXBNWAXBKX-SNVBAGLBSA-N -1 1 285.796 3.061 20 0 CGADMM CC(C)(C)n1cc([N-]c2nc(C3CC3)ns2)cn1 ZINC000092624367 345848233 /nfs/dbraw/zinc/84/82/33/345848233.db2.gz HRLPQPZGCJJZIE-UHFFFAOYSA-N -1 1 263.370 3.111 20 0 CGADMM CCc1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000107892422 345935871 /nfs/dbraw/zinc/93/58/71/345935871.db2.gz AIJZDLWPMJADGU-SECBINFHSA-N -1 1 259.334 3.045 20 0 CGADMM CCCN(Cc1ccc(C)cc1)C(=O)c1cncc([O-])c1 ZINC000111775489 345950882 /nfs/dbraw/zinc/95/08/82/345950882.db2.gz QBJAHFYJEZNQSZ-UHFFFAOYSA-N -1 1 284.359 3.148 20 0 CGADMM CC[C@@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000153568633 346145933 /nfs/dbraw/zinc/14/59/33/346145933.db2.gz YOZOOSZRUJNBGV-SNVBAGLBSA-N -1 1 297.782 3.316 20 0 CGADMM C[C@H](Cc1ccccc1F)NC(=O)c1ccc([O-])cc1F ZINC000181169096 232410532 /nfs/dbraw/zinc/41/05/32/232410532.db2.gz KOEYLOVQRYPOEQ-SNVBAGLBSA-N -1 1 291.297 3.031 20 0 CGADMM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000234282502 346331347 /nfs/dbraw/zinc/33/13/47/346331347.db2.gz UKEFMXDZGLMBPA-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM Cc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])c(Cl)c1 ZINC000235884674 346338461 /nfs/dbraw/zinc/33/84/61/346338461.db2.gz KLQLBUNBPNGDJF-LBPRGKRZSA-N -1 1 299.823 3.041 20 0 CGADMM C[C@@H](c1ccccc1Cl)N1CCSC[C@H]1CC(=O)[O-] ZINC000251591056 346389219 /nfs/dbraw/zinc/38/92/19/346389219.db2.gz XQLKPFKMCPAHDO-WDEREUQCSA-N -1 1 299.823 3.293 20 0 CGADMM C[C@@H](c1ccc2ccccc2c1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000317033142 346485686 /nfs/dbraw/zinc/48/56/86/346485686.db2.gz VHOLLECMRJDNBU-GUYCJALGSA-N -1 1 299.370 3.076 20 0 CGADMM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])co1 ZINC000312843398 346478546 /nfs/dbraw/zinc/47/85/46/346478546.db2.gz LACZPXFIUNGZSB-JTQLQIEISA-N -1 1 291.269 3.141 20 0 CGADMM C[C@H](c1c(F)cccc1F)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000380243303 346556389 /nfs/dbraw/zinc/55/63/89/346556389.db2.gz MVEKXACVPRGOTA-GMTAPVOTSA-N -1 1 283.318 3.068 20 0 CGADMM CO[C@H]([C@H](C)NC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000388324232 346570519 /nfs/dbraw/zinc/57/05/19/346570519.db2.gz YRDVYBYVTUHXRQ-APPDUMDISA-N -1 1 299.370 3.089 20 0 CGADMM O=C(NCC1CCCCCC1)c1c([O-])cccc1F ZINC000389473636 346572731 /nfs/dbraw/zinc/57/27/31/346572731.db2.gz MXXRNWJQGNBEDZ-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM CCCc1cc(=O)[n-]c(SCC(=O)C(C)(C)CC)n1 ZINC000389131185 346573015 /nfs/dbraw/zinc/57/30/15/346573015.db2.gz PRXSCCMOUIAXIL-UHFFFAOYSA-N -1 1 282.409 3.232 20 0 CGADMM CSCC1(Cc2nc(=O)c3sc(C)cc3[n-]2)CC1 ZINC000594660589 347206346 /nfs/dbraw/zinc/20/63/46/347206346.db2.gz NFIKDTOYBOWTEJ-UHFFFAOYSA-N -1 1 280.418 3.391 20 0 CGADMM Cc1cc(C)cc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000605438388 348156009 /nfs/dbraw/zinc/15/60/09/348156009.db2.gz SXKKFKHVCLTZLX-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM C[C@H]1CCC[C@@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000608366789 348301031 /nfs/dbraw/zinc/30/10/31/348301031.db2.gz YYJVQRYDQXUJHE-VHSXEESVSA-N -1 1 251.301 3.296 20 0 CGADMM O=C(COc1cccc(Cl)c1)Nc1c([O-])cccc1F ZINC000608366075 348301356 /nfs/dbraw/zinc/30/13/56/348301356.db2.gz MZSCIVFARFFMNW-UHFFFAOYSA-N -1 1 295.697 3.202 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc2ncccc2c1 ZINC000608367073 348301440 /nfs/dbraw/zinc/30/14/40/348301440.db2.gz HOPQWIUYEVGIEQ-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CC[C@H](SC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000128892677 187396977 /nfs/dbraw/zinc/39/69/77/187396977.db2.gz ZLQVJSFJZWZGJE-JTQLQIEISA-N -1 1 259.758 3.126 20 0 CGADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1ncc2ccccc2c1[O-] ZINC000611705309 348469076 /nfs/dbraw/zinc/46/90/76/348469076.db2.gz MGDFLOXJCMDUEO-NWDGAFQWSA-N -1 1 284.359 3.201 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CC2(CC2)C1 ZINC000612758615 348543901 /nfs/dbraw/zinc/54/39/01/348543901.db2.gz ATHRXHWDPIPKAX-UHFFFAOYSA-N -1 1 251.713 3.174 20 0 CGADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613890791 348638743 /nfs/dbraw/zinc/63/87/43/348638743.db2.gz KTRAUUFGMPACDI-JHJVBQTASA-N -1 1 298.386 3.447 20 0 CGADMM CC[C@H](C(=O)Nc1c(C)[n-][nH]c1=O)C1CCC(C)CC1 ZINC000615221175 348724538 /nfs/dbraw/zinc/72/45/38/348724538.db2.gz JIDWRBKOTOWSCX-NHNAUAITSA-N -1 1 279.384 3.215 20 0 CGADMM O=C(c1cncc([O-])c1)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000617920052 349024488 /nfs/dbraw/zinc/02/44/88/349024488.db2.gz XEJNMLTYQNMDSA-HNNXBMFYSA-N -1 1 298.342 3.138 20 0 CGADMM C[C@]1(CNC(=O)c2ccc3ccccc3c2[O-])CC1(F)F ZINC000618604025 349119658 /nfs/dbraw/zinc/11/96/58/349119658.db2.gz OMTJOIMSYSYBPD-OAHLLOKOSA-N -1 1 291.297 3.321 20 0 CGADMM C[C@]1(CCNC(=O)c2cc(Cl)ccc2[O-])CC1(F)F ZINC000618625037 349128742 /nfs/dbraw/zinc/12/87/42/349128742.db2.gz CVIHWHMTUJRYIA-LBPRGKRZSA-N -1 1 289.709 3.211 20 0 CGADMM O=C(NC1CCC2(CC2(F)F)CC1)c1ccc([O-])c(F)c1 ZINC000619231106 349224739 /nfs/dbraw/zinc/22/47/39/349224739.db2.gz WPILVTYVRONZPT-UHFFFAOYSA-N -1 1 299.292 3.229 20 0 CGADMM C[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)CC(C)(C)C ZINC000620446114 349373399 /nfs/dbraw/zinc/37/33/99/349373399.db2.gz RGMHBQUZIXAZIU-SSDOTTSWSA-N -1 1 292.305 3.224 20 0 CGADMM C[C@H](CC(=O)Nc1cccc(F)c1[O-])C(F)(F)F ZINC000628960719 350626334 /nfs/dbraw/zinc/62/63/34/350626334.db2.gz XJFBMLQBXODLAP-ZCFIWIBFSA-N -1 1 265.206 3.058 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000628960625 350626378 /nfs/dbraw/zinc/62/63/78/350626378.db2.gz SHUXRAXAVDRYNT-OUAUKWLOSA-N -1 1 261.296 3.072 20 0 CGADMM Cc1coc(C)c1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000352222119 219370583 /nfs/dbraw/zinc/37/05/83/219370583.db2.gz XXWUOFNDWSZLOT-UHFFFAOYSA-N -1 1 287.344 3.022 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc(C)c(F)c2)n1 ZINC000629174764 350663320 /nfs/dbraw/zinc/66/33/20/350663320.db2.gz HMOVAZGYTQKACR-UHFFFAOYSA-N -1 1 278.352 3.484 20 0 CGADMM Cc1cc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)oc1C(=O)[O-] ZINC000629364547 350678442 /nfs/dbraw/zinc/67/84/42/350678442.db2.gz NMGIFRBOJMAZAB-NXEZZACHSA-N -1 1 287.306 3.009 20 0 CGADMM O=C(N=c1[n-]sc2ccccc21)N1CCCCCC1 ZINC000630344698 350825156 /nfs/dbraw/zinc/82/51/56/350825156.db2.gz HRQQVOBVYRTULW-UHFFFAOYSA-N -1 1 275.377 3.126 20 0 CGADMM CC(=O)[C@H](C)CCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023376 350927092 /nfs/dbraw/zinc/92/70/92/350927092.db2.gz OYEPYBOXJAMOQI-MRVPVSSYSA-N -1 1 280.393 3.075 20 0 CGADMM Cc1nc(SCC(=O)C(C)(C)C)[n-]c(=O)c1C1CC1 ZINC000631023899 350927588 /nfs/dbraw/zinc/92/75/88/350927588.db2.gz ZIERQUYXNXJJAM-UHFFFAOYSA-N -1 1 280.393 3.075 20 0 CGADMM CC(C)N(CC1CC1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630727299 350879387 /nfs/dbraw/zinc/87/93/87/350879387.db2.gz OYLWJOQHAXQJBA-UHFFFAOYSA-N -1 1 281.783 3.235 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000631515703 351057819 /nfs/dbraw/zinc/05/78/19/351057819.db2.gz DOMZNRRFDMENEA-JSGCOSHPSA-N -1 1 293.794 3.379 20 0 CGADMM CCc1onc(C)c1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632165834 351175610 /nfs/dbraw/zinc/17/56/10/351175610.db2.gz SLKIQYQDJXKLDP-UHFFFAOYSA-N -1 1 294.738 3.086 20 0 CGADMM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(F)F)o1)C1CC1 ZINC000632561049 351205163 /nfs/dbraw/zinc/20/51/63/351205163.db2.gz GPYLOJLDNKGOMX-GFCCVEGCSA-N -1 1 293.335 3.074 20 0 CGADMM C[C@H](C1CC1)N(C(=O)c1cncc([O-])c1)c1ccccc1 ZINC000633846265 351391261 /nfs/dbraw/zinc/39/12/61/351391261.db2.gz WLIBDFZTXQNGGP-GFCCVEGCSA-N -1 1 282.343 3.233 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@]12C[C@@H]1CCCC2 ZINC000634082124 351433445 /nfs/dbraw/zinc/43/34/45/351433445.db2.gz CDJBYPXXLKBUSN-NHYWBVRUSA-N -1 1 279.767 3.037 20 0 CGADMM COc1cc(C(=O)N[C@@H](C)CC2CCC2)cc(Cl)c1[O-] ZINC000634366259 351478834 /nfs/dbraw/zinc/47/88/34/351478834.db2.gz IBACAMMCCQRTFD-VIFPVBQESA-N -1 1 297.782 3.363 20 0 CGADMM CCc1[n-]n(-c2ncccc2C(F)(F)F)c(=O)c1C(C)C ZINC000634589128 351526604 /nfs/dbraw/zinc/52/66/04/351526604.db2.gz OXJRVSLMROFZNI-LLVKDONJSA-N -1 1 299.296 3.485 20 0 CGADMM CCCc1c(C)[n-]n(Cc2cc(F)ccc2F)c1=O ZINC000634596937 351532977 /nfs/dbraw/zinc/53/29/77/351532977.db2.gz WETMBQFJUJBTKQ-LBPRGKRZSA-N -1 1 266.291 3.099 20 0 CGADMM CCCc1[n-]n(Cc2ccc(OC)cc2)c(=O)c1CC ZINC000634597163 351533592 /nfs/dbraw/zinc/53/35/92/351533592.db2.gz COQXDHAJQMGUIK-CQSZACIVSA-N -1 1 274.364 3.220 20 0 CGADMM CCc1[n-]n(-c2nc(-c3ccccc3)no2)c(=O)c1C(C)C ZINC000634602172 351536332 /nfs/dbraw/zinc/53/63/32/351536332.db2.gz IVWTVJFEYYCLMQ-ZDUSSCGKSA-N -1 1 298.346 3.121 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccc(OC(F)F)cc2)c1=O ZINC000634602020 351536530 /nfs/dbraw/zinc/53/65/30/351536530.db2.gz DEGFFPUBRUZZKW-LBPRGKRZSA-N -1 1 282.290 3.427 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccnc3ccccc32)c1=O ZINC000634602747 351537568 /nfs/dbraw/zinc/53/75/68/351537568.db2.gz BMWOCDODMLTGMA-GFCCVEGCSA-N -1 1 267.332 3.374 20 0 CGADMM CCCCc1c(C)nn(-c2nc3ccccc3c(=O)[n-]2)c1C ZINC000634606538 351540203 /nfs/dbraw/zinc/54/02/03/351540203.db2.gz VGHAWOAIQCXWDH-UHFFFAOYSA-N -1 1 296.374 3.481 20 0 CGADMM CCc1[n-]n(-c2nc3ccncc3s2)c(=O)c1C(C)C ZINC000634630637 351553297 /nfs/dbraw/zinc/55/32/97/351553297.db2.gz BCLKMQFLYJZLPU-LBPRGKRZSA-N -1 1 288.376 3.076 20 0 CGADMM Cc1ccc([C@@H]2CCCN2C(=O)c2ncccc2[O-])cc1C ZINC000123529008 187096637 /nfs/dbraw/zinc/09/66/37/187096637.db2.gz DNBQYPHVIFYWBN-HNNXBMFYSA-N -1 1 296.370 3.381 20 0 CGADMM CCOC1(C)CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000293736104 198751526 /nfs/dbraw/zinc/75/15/26/198751526.db2.gz UVFOXJQVSSWJJZ-UHFFFAOYSA-N -1 1 297.782 3.077 20 0 CGADMM Cc1ccc(F)c(CNCc2ccccc2CC(=O)[O-])c1 ZINC000426679935 236306680 /nfs/dbraw/zinc/30/66/80/236306680.db2.gz KCMSSLILNUOWMJ-UHFFFAOYSA-N -1 1 287.334 3.051 20 0 CGADMM Cc1ccc([C@@H](NCc2cc(C)ccc2F)C(=O)[O-])cc1 ZINC000426711677 236307097 /nfs/dbraw/zinc/30/70/97/236307097.db2.gz QLCBMJCVRQMJHS-MRXNPFEDSA-N -1 1 287.334 3.358 20 0 CGADMM Cc1ccncc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436569532 237131565 /nfs/dbraw/zinc/13/15/65/237131565.db2.gz FQAZCWPBUHCXPX-UHFFFAOYSA-N -1 1 270.332 3.471 20 0 CGADMM O=C(Nc1ccc(Cl)c(F)c1)C(=O)c1ccc([O-])cc1 ZINC000436671512 237159453 /nfs/dbraw/zinc/15/94/53/237159453.db2.gz KFHJUKNGDXOHNF-UHFFFAOYSA-N -1 1 293.681 3.006 20 0 CGADMM O=C(N[C@H]1CSc2ccccc21)c1c([O-])cccc1F ZINC000436945512 237216772 /nfs/dbraw/zinc/21/67/72/237216772.db2.gz AGNIVJVVSHCWAO-NSHDSACASA-N -1 1 289.331 3.108 20 0 CGADMM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000437386949 237282240 /nfs/dbraw/zinc/28/22/40/237282240.db2.gz CLIBQCINMSSKPC-MQMHXKEQSA-N -1 1 285.318 3.207 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1C ZINC000180672564 189269296 /nfs/dbraw/zinc/26/92/96/189269296.db2.gz MNSJVHWJJDPIKF-IUCAKERBSA-N -1 1 287.281 3.282 20 0 CGADMM CCCn1cc([N-]c2nc(CC(C)C)ns2)cn1 ZINC000302284250 201428662 /nfs/dbraw/zinc/42/86/62/201428662.db2.gz LJENTWZYKPXFMM-UHFFFAOYSA-N -1 1 265.386 3.087 20 0 CGADMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000451432776 240301271 /nfs/dbraw/zinc/30/12/71/240301271.db2.gz LTUXQMLGEDUECD-BXKDBHETSA-N -1 1 297.351 3.039 20 0 CGADMM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC000451344492 240277687 /nfs/dbraw/zinc/27/76/87/240277687.db2.gz JQQJWUJIIDWGIZ-MRVPVSSYSA-N -1 1 281.830 3.114 20 0 CGADMM O=C(c1ncccc1[O-])N(C1CC1)[C@H]1CCc2ccccc21 ZINC000123937579 370917064 /nfs/dbraw/zinc/91/70/64/370917064.db2.gz LNULVUOPQZBTSS-HNNXBMFYSA-N -1 1 294.354 3.079 20 0 CGADMM O=C([O-])[C@@H](NCc1ccccc1Cl)c1ccccc1 ZINC000019787870 368766145 /nfs/dbraw/zinc/76/61/45/368766145.db2.gz WCOXDSWCXXILHX-AWEZNQCLSA-N -1 1 275.735 3.256 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2O)c(C)c1 ZINC000035081944 368996010 /nfs/dbraw/zinc/99/60/10/368996010.db2.gz UQTPTAPIDWHGFN-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM CCN(C(=O)c1cc2ccccc2cc1[O-])C(C)C ZINC000036819326 369031433 /nfs/dbraw/zinc/03/14/33/369031433.db2.gz SOVZHBRRPWXNHH-UHFFFAOYSA-N -1 1 257.333 3.416 20 0 CGADMM CC(C)c1nc(=N[C@H](C)CCCC(F)(F)F)o[n-]1 ZINC000493550744 244184989 /nfs/dbraw/zinc/18/49/89/244184989.db2.gz RMUORACYSBQUDE-MRVPVSSYSA-N -1 1 265.279 3.148 20 0 CGADMM Cc1cnc(C(=O)N(Cc2ccccc2)CC(C)C)c([O-])c1 ZINC000494830686 244320997 /nfs/dbraw/zinc/32/09/97/244320997.db2.gz FDLZPBRKAOJDSU-UHFFFAOYSA-N -1 1 298.386 3.394 20 0 CGADMM CCOc1ccc(NC(=O)c2ccccc2[O-])c(C)c1 ZINC000097207398 370233954 /nfs/dbraw/zinc/23/39/54/370233954.db2.gz SHWBIBBJROJGOP-UHFFFAOYSA-N -1 1 271.316 3.352 20 0 CGADMM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000111776055 370406827 /nfs/dbraw/zinc/40/68/27/370406827.db2.gz VLCHVAYWGRPOCN-UONOGXRCSA-N -1 1 276.380 3.122 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2)c2cccnc12 ZINC000113857948 370485584 /nfs/dbraw/zinc/48/55/84/370485584.db2.gz LMJRASQGGDQPBS-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N(CC(F)F)C1CC1 ZINC000117654653 370596583 /nfs/dbraw/zinc/59/65/83/370596583.db2.gz KGWAGXKNGOHYNV-UHFFFAOYSA-N -1 1 291.297 3.415 20 0 CGADMM O=C(Nc1cccc(NC2CCCC2)c1)c1cncc([O-])c1 ZINC000117978170 370604052 /nfs/dbraw/zinc/60/40/52/370604052.db2.gz PVZWSIOKSNOQIM-UHFFFAOYSA-N -1 1 297.358 3.394 20 0 CGADMM CCCCO[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129606341 370994919 /nfs/dbraw/zinc/99/49/19/370994919.db2.gz PKQPBEBUMCWRTN-VIFPVBQESA-N -1 1 271.744 3.189 20 0 CGADMM C[C@@H]1C[C@H](c2nc(-c3ccc([O-])cc3F)no2)CCC1=O ZINC000331599188 204002926 /nfs/dbraw/zinc/00/29/26/204002926.db2.gz CMFLHCUWHJKNOR-RKDXNWHRSA-N -1 1 290.294 3.054 20 0 CGADMM CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC000422062001 371726142 /nfs/dbraw/zinc/72/61/42/371726142.db2.gz GIGZUBMQWUUIHS-AWEZNQCLSA-N -1 1 296.370 3.196 20 0 CGADMM O=C(NCc1ncccc1F)c1ccc2ccccc2c1[O-] ZINC000162559326 372404297 /nfs/dbraw/zinc/40/42/97/372404297.db2.gz IXTRQJQAQOXYFI-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM CC(C)O[N-]C(=O)[C@@H](C)c1cccc(Br)c1 ZINC000295481989 372797231 /nfs/dbraw/zinc/79/72/31/372797231.db2.gz DXZXPJLTIJVNGQ-VIFPVBQESA-N -1 1 286.169 3.009 20 0 CGADMM COc1ccc(C(=O)N2CC3(CC3)c3ccccc32)c([O-])c1 ZINC000172431738 372963275 /nfs/dbraw/zinc/96/32/75/372963275.db2.gz UHWTZBYUNYPYPS-UHFFFAOYSA-N -1 1 295.338 3.093 20 0 CGADMM CCCC[C@@H](CCC)CN=c1nc(COC)[n-]s1 ZINC000441810521 373035828 /nfs/dbraw/zinc/03/58/28/373035828.db2.gz KTGQKMGJJWMYIQ-LLVKDONJSA-N -1 1 271.430 3.125 20 0 CGADMM O=C([O-])C[C@H]1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000299746343 373609690 /nfs/dbraw/zinc/60/96/90/373609690.db2.gz WTFGKJLFUSOASS-NSHDSACASA-N -1 1 283.318 3.042 20 0 CGADMM O=C(Nc1nccs1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180330350 373990944 /nfs/dbraw/zinc/99/09/44/373990944.db2.gz RISAQZWQLGWODZ-UHFFFAOYSA-N -1 1 288.250 3.120 20 0 CGADMM O=C(CCc1cncc(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000181788624 374171554 /nfs/dbraw/zinc/17/15/54/374171554.db2.gz GBBSHKTVFAXKRU-UHFFFAOYSA-N -1 1 294.713 3.151 20 0 CGADMM CC(C)(CNC(=O)c1ccc([O-])cc1F)C1=CCCC1 ZINC000312263766 374273310 /nfs/dbraw/zinc/27/33/10/374273310.db2.gz QTLHHWJYSUIHQF-UHFFFAOYSA-N -1 1 277.339 3.398 20 0 CGADMM C[C@H](c1c(F)cccc1F)N1CCC(C)(C(=O)[O-])CC1 ZINC000086777053 541940705 /nfs/dbraw/zinc/94/07/05/541940705.db2.gz PHWMOZQDRIBARO-SNVBAGLBSA-N -1 1 283.318 3.213 20 0 CGADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1c(F)ccc([O-])c1F ZINC000456334836 374518196 /nfs/dbraw/zinc/51/81/96/374518196.db2.gz MMAPKKRWHFFWKR-MEBBXXQBSA-N -1 1 297.345 3.423 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)cn1 ZINC000334210398 206198220 /nfs/dbraw/zinc/19/82/20/206198220.db2.gz DSXOKCWJRGANOP-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000456776677 374620452 /nfs/dbraw/zinc/62/04/52/374620452.db2.gz DXIIKGAGMFVXPO-NXEZZACHSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@H]1CC[C@@H](CC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000456781874 374622406 /nfs/dbraw/zinc/62/24/06/374622406.db2.gz JXHVOXLVWZVIOL-DTWKUNHWSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@@H]1CC[C@@H](CC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000456781877 374622503 /nfs/dbraw/zinc/62/25/03/374622503.db2.gz JXHVOXLVWZVIOL-RKDXNWHRSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1cccs1 ZINC000334374453 374694865 /nfs/dbraw/zinc/69/48/65/374694865.db2.gz CVZBURSZEZYEKW-SSDOTTSWSA-N -1 1 283.299 3.223 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCCc2ccccc2CC1 ZINC000456311922 296222030 /nfs/dbraw/zinc/22/20/30/296222030.db2.gz LVIWCNRHNFOBCY-UHFFFAOYSA-N -1 1 299.345 3.162 20 0 CGADMM CCOc1cc(C(=O)N[C@H]2C=CCCC2)cc(Cl)c1[O-] ZINC000186861856 374931155 /nfs/dbraw/zinc/93/11/55/374931155.db2.gz YNUAQVZSVDADMC-NSHDSACASA-N -1 1 295.766 3.283 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1Cc2ccccc2C2(CC2)C1 ZINC000187295821 374999762 /nfs/dbraw/zinc/99/97/62/374999762.db2.gz NTOMELAPXXRFCZ-UHFFFAOYSA-N -1 1 297.329 3.219 20 0 CGADMM COC(=O)c1c[n-]c(S[C@H](C)c2c(F)cccc2F)n1 ZINC000187590088 375050479 /nfs/dbraw/zinc/05/04/79/375050479.db2.gz BXEIWWJOAWCLPU-SSDOTTSWSA-N -1 1 298.314 3.328 20 0 CGADMM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000335218356 375237797 /nfs/dbraw/zinc/23/77/97/375237797.db2.gz RPWJEFQNETYBQW-RMLUDKJBSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@H](c1nc(-c2ccc([O-])cc2F)no1)C(F)(F)F ZINC000335685949 375345648 /nfs/dbraw/zinc/34/56/48/375345648.db2.gz PUGMNKNMRIHUSV-RXMQYKEDSA-N -1 1 276.189 3.247 20 0 CGADMM Cc1nsc(C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000335703859 375360253 /nfs/dbraw/zinc/36/02/53/375360253.db2.gz GGCYKYOCLJFCJQ-UHFFFAOYSA-N -1 1 282.752 3.371 20 0 CGADMM CCc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000335705058 375361498 /nfs/dbraw/zinc/36/14/98/375361498.db2.gz VBLOUZHOZHZIAK-UHFFFAOYSA-N -1 1 277.270 3.485 20 0 CGADMM COc1cc(F)c(F)cc1NC(=O)c1ccc([O-])cc1F ZINC000335868329 375498536 /nfs/dbraw/zinc/49/85/36/375498536.db2.gz FBPYUXCOWGERPL-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000336179083 375751901 /nfs/dbraw/zinc/75/19/01/375751901.db2.gz JXQCYQKKRSEUPT-GXSJLCMTSA-N -1 1 297.782 3.315 20 0 CGADMM Cc1cccc([N-]S(=O)(=O)CCC2CCCCC2)n1 ZINC000519521700 375841909 /nfs/dbraw/zinc/84/19/09/375841909.db2.gz FZQJMFOVWZUDGA-UHFFFAOYSA-N -1 1 282.409 3.102 20 0 CGADMM CO[C@@H](C)c1nc(=NCC2(C)CCCCC2)s[n-]1 ZINC000336785726 375936466 /nfs/dbraw/zinc/93/64/66/375936466.db2.gz FSUSSQXBGZMHOQ-JTQLQIEISA-N -1 1 269.414 3.050 20 0 CGADMM CCCCC[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000226267756 376348564 /nfs/dbraw/zinc/34/85/64/376348564.db2.gz ZCJNWUMJINZGHD-JTQLQIEISA-N -1 1 253.317 3.230 20 0 CGADMM C[C@H](c1c(F)cccc1F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421337 376358305 /nfs/dbraw/zinc/35/83/05/376358305.db2.gz RVUGWNQHTOJTSK-MNOVXSKESA-N -1 1 283.318 3.213 20 0 CGADMM O=C([N-][C@@H]1CCSc2ccccc21)C(F)(F)C(F)F ZINC000226598607 376366152 /nfs/dbraw/zinc/36/61/52/376366152.db2.gz FDXCLEFDXTUTQV-MRVPVSSYSA-N -1 1 293.285 3.240 20 0 CGADMM CC(C)c1nc(=NC[C@@]2(C)C[C@@H]2c2ccccc2)o[n-]1 ZINC000338739799 376509467 /nfs/dbraw/zinc/50/94/67/376509467.db2.gz LIXIMVZMBGOEJA-CZUORRHYSA-N -1 1 271.364 3.221 20 0 CGADMM COc1cc(C(=O)N2CC[C@@H]3CCC[C@@H]32)cc(Cl)c1[O-] ZINC000334379848 206450027 /nfs/dbraw/zinc/45/00/27/206450027.db2.gz ICBKKVFKTJUMOG-CABZTGNLSA-N -1 1 295.766 3.069 20 0 CGADMM O=S(=O)([N-]CCC1=CCCC1)c1cc2ccccc2o1 ZINC000159070490 542145726 /nfs/dbraw/zinc/14/57/26/542145726.db2.gz XRSAYHBYJWIYDL-UHFFFAOYSA-N -1 1 291.372 3.212 20 0 CGADMM O=C(N[C@@H](CC1CCC1)c1ccccc1)c1cncc([O-])c1 ZINC000340005726 376891276 /nfs/dbraw/zinc/89/12/76/376891276.db2.gz OCVQEGFYFNINLP-KRWDZBQOSA-N -1 1 296.370 3.449 20 0 CGADMM CCCCS[C@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000340329901 377004942 /nfs/dbraw/zinc/00/49/42/377004942.db2.gz HUKILMINRDRRFD-SECBINFHSA-N -1 1 271.357 3.392 20 0 CGADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000247883417 377241743 /nfs/dbraw/zinc/24/17/43/377241743.db2.gz CTTRMNVJHSTBNC-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=C(CC1CCSCC1)Nc1ccc([O-])c(F)c1F ZINC000562637183 377341225 /nfs/dbraw/zinc/34/12/25/377341225.db2.gz GCVNNKOIGPRGIY-UHFFFAOYSA-N -1 1 287.331 3.142 20 0 CGADMM Cc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000314983674 249097628 /nfs/dbraw/zinc/09/76/28/249097628.db2.gz HDSAHRLATYJPJI-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM CO[C@@H](C)c1nc(=NC(C)(C)CC(C)(C)C)s[n-]1 ZINC000509540342 249178305 /nfs/dbraw/zinc/17/83/05/249178305.db2.gz MORZMWYTYZZGMG-VIFPVBQESA-N -1 1 271.430 3.294 20 0 CGADMM C[C@H]1CCCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000518386954 249280163 /nfs/dbraw/zinc/28/01/63/249280163.db2.gz RSPXJUVNONCGCR-NSHDSACASA-N -1 1 286.331 3.024 20 0 CGADMM CCc1nc(SCC2CCCC2)[n-]c(=O)c1C ZINC000517246829 249261217 /nfs/dbraw/zinc/26/12/17/249261217.db2.gz KEKBWGXRXWTBTP-UHFFFAOYSA-N -1 1 252.383 3.335 20 0 CGADMM [O-]c1cccnc1CN(Cc1ccco1)Cc1ccco1 ZINC000574081798 377617022 /nfs/dbraw/zinc/61/70/22/377617022.db2.gz MUBVCGWMVZOYSL-UHFFFAOYSA-N -1 1 284.315 3.176 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000182907947 542226484 /nfs/dbraw/zinc/22/64/84/542226484.db2.gz UQBTUAMVCPCCGT-JGVFFNPUSA-N -1 1 284.153 3.058 20 0 CGADMM CCCN(CC(=O)[O-])Cc1ccc(-c2ccccc2)o1 ZINC000263410994 377933720 /nfs/dbraw/zinc/93/37/20/377933720.db2.gz LIPXIROALXNCHZ-UHFFFAOYSA-N -1 1 273.332 3.243 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(F)cc1Cl ZINC000263508258 377943122 /nfs/dbraw/zinc/94/31/22/377943122.db2.gz MNWVOAFZVLWHEZ-MWLCHTKSSA-N -1 1 285.746 3.164 20 0 CGADMM CC[C@H]1Cc2ccccc2CN1Cc1cc(C(=O)[O-])co1 ZINC000575995625 378006414 /nfs/dbraw/zinc/00/64/14/378006414.db2.gz SBESRARNOOMCGX-HNNXBMFYSA-N -1 1 285.343 3.315 20 0 CGADMM O=C([O-])c1ccoc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000578329782 378057648 /nfs/dbraw/zinc/05/76/48/378057648.db2.gz MWVJCCZUUIRWSE-UHFFFAOYSA-N -1 1 289.306 3.282 20 0 CGADMM Cc1nonc1C(=O)[N-]c1ccccc1SC(C)C ZINC000268430745 378058424 /nfs/dbraw/zinc/05/84/24/378058424.db2.gz BILXOVPIAXMXMC-UHFFFAOYSA-N -1 1 277.349 3.131 20 0 CGADMM CCc1nc(SCCCCCC(C)=O)[n-]c(=O)c1C ZINC000578787714 378100631 /nfs/dbraw/zinc/10/06/31/378100631.db2.gz ZIJPBNDXBNPMIG-UHFFFAOYSA-N -1 1 282.409 3.295 20 0 CGADMM Cc1nc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)[nH]c1C ZINC000637795920 378586648 /nfs/dbraw/zinc/58/66/48/378586648.db2.gz QHBUJWTZTFBUHX-UHFFFAOYSA-N -1 1 282.347 3.466 20 0 CGADMM CC(C)[C@H](C)N(C(=O)c1ccc([O-])cc1F)C1CC1 ZINC000272296741 378607430 /nfs/dbraw/zinc/60/74/30/378607430.db2.gz WPELWLYUFVMYPU-JTQLQIEISA-N -1 1 265.328 3.180 20 0 CGADMM CC1(C)CC[C@H](NC(=O)c2cncc([O-])c2)c2ccccc21 ZINC000346604041 217957978 /nfs/dbraw/zinc/95/79/78/217957978.db2.gz OYUCMFUYEYRKLG-INIZCTEOSA-N -1 1 296.370 3.330 20 0 CGADMM CC(C)c1nc(=NC[C@H]2CCCc3ccccc32)o[n-]1 ZINC000346873596 218044985 /nfs/dbraw/zinc/04/49/85/218044985.db2.gz HIKONVOLUNXTSN-CYBMUJFWSA-N -1 1 271.364 3.147 20 0 CGADMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cncc([O-])c1 ZINC000279526054 379451248 /nfs/dbraw/zinc/45/12/48/379451248.db2.gz VOMNXXIXEVCBOX-ZDUSSCGKSA-N -1 1 296.370 3.228 20 0 CGADMM C[C@@H](c1nc(-c2ccc([O-])cc2F)no1)c1cccnc1 ZINC000350814336 379589433 /nfs/dbraw/zinc/58/94/33/379589433.db2.gz PCBLOFIBNQBNSR-SECBINFHSA-N -1 1 285.278 3.128 20 0 CGADMM COc1cc(-c2nc([C@H]3C[C@@H]3C)no2)cc(Cl)c1[O-] ZINC000350605245 379571010 /nfs/dbraw/zinc/57/10/10/379571010.db2.gz ZKRHGTUUGJUHFA-XPUUQOCRSA-N -1 1 280.711 3.228 20 0 CGADMM CC(=O)c1cc(F)c([N-]C(=O)c2occc2C)c(F)c1F ZINC000334612666 206799879 /nfs/dbraw/zinc/79/98/79/206799879.db2.gz DQRIONYKSYLQQT-UHFFFAOYSA-N -1 1 297.232 3.460 20 0 CGADMM O=C(N=c1[n-]sc2ccccc21)N1CC[C@@H]2CCC[C@@H]21 ZINC000640338682 379770694 /nfs/dbraw/zinc/77/06/94/379770694.db2.gz GDMFIDBPCRBVAE-JQWIXIFHSA-N -1 1 287.388 3.125 20 0 CGADMM COc1ccc(C(=O)Nc2cccc3ccncc32)c([O-])c1 ZINC000388108929 379880657 /nfs/dbraw/zinc/88/06/57/379880657.db2.gz WTWDIKPPNJWZCH-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM CC[C@H](CNC(=O)c1cc(F)ccc1[O-])CC(F)(F)F ZINC000402477033 379966453 /nfs/dbraw/zinc/96/64/53/379966453.db2.gz MQOJYFVWVUEYDL-QMMMGPOBSA-N -1 1 293.260 3.240 20 0 CGADMM CN(C[C@@H]1CC=CCC1)C(=O)c1cc(Cl)ccc1[O-] ZINC000402791293 379972587 /nfs/dbraw/zinc/97/25/87/379972587.db2.gz UWUZGUMVYFZIDE-LLVKDONJSA-N -1 1 279.767 3.474 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(F)cc1Cl)CC2 ZINC000405368805 379984225 /nfs/dbraw/zinc/98/42/25/379984225.db2.gz NBZMFSKLGLCHTQ-LBPRGKRZSA-N -1 1 297.757 3.166 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@H](C(C)(C)C)CC2)c([O-])c1 ZINC000408369926 380007034 /nfs/dbraw/zinc/00/70/34/380007034.db2.gz DSBKTVPPICLQQE-ZDUSSCGKSA-N -1 1 290.407 3.384 20 0 CGADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1CC12CCCC2 ZINC000355184396 380615064 /nfs/dbraw/zinc/61/50/64/380615064.db2.gz WOBUDMLJZSICDZ-SNVBAGLBSA-N -1 1 287.388 3.079 20 0 CGADMM CCO[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)C(C)C ZINC000357384203 381137377 /nfs/dbraw/zinc/13/73/77/381137377.db2.gz YLNIJOLJUICRFH-CYBMUJFWSA-N -1 1 285.771 3.435 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccsc1 ZINC000235505856 542312522 /nfs/dbraw/zinc/31/25/22/542312522.db2.gz SJHNVWIPCXHLEW-QMMMGPOBSA-N -1 1 265.309 3.084 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)C1CCCCC1 ZINC000164009160 533291052 /nfs/dbraw/zinc/29/10/52/533291052.db2.gz ZXIWLDYOBKZIBF-SNVBAGLBSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1cc(CN(Cc2ccccc2)C2CC2)oc1C(=O)[O-] ZINC000383656032 542600899 /nfs/dbraw/zinc/60/08/99/542600899.db2.gz PFCRGFACCPMKHZ-UHFFFAOYSA-N -1 1 285.343 3.451 20 0 CGADMM C[C@@H]1CN(Cc2cc(Cl)ccc2F)CC[C@H]1C(=O)[O-] ZINC000388843676 542605510 /nfs/dbraw/zinc/60/55/10/542605510.db2.gz XSEJYOVSVVIFOZ-BXKDBHETSA-N -1 1 285.746 3.022 20 0 CGADMM CCc1nnc(NC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000048552766 392002846 /nfs/dbraw/zinc/00/28/46/392002846.db2.gz QZJBEHNHSSHIAZ-UHFFFAOYSA-N -1 1 291.376 3.182 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])[C@H](C)C1 ZINC000051746375 392073124 /nfs/dbraw/zinc/07/31/24/392073124.db2.gz NYAMEAWREJSGFU-NXEZZACHSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(NCc1ccc(F)cc1F)c1cc(Cl)ccc1[O-] ZINC000055460678 392099101 /nfs/dbraw/zinc/09/91/01/392099101.db2.gz RJIVIJGWTQDTLR-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM O=C(NCCC(F)(F)F)c1cc2ccccc2cc1[O-] ZINC000063101320 392135190 /nfs/dbraw/zinc/13/51/90/392135190.db2.gz CTPAJSQMVPBZDM-UHFFFAOYSA-N -1 1 283.249 3.228 20 0 CGADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])C1CCCC1 ZINC000070308315 392181018 /nfs/dbraw/zinc/18/10/18/392181018.db2.gz JWVRDDJAENDWJO-VIFPVBQESA-N -1 1 267.756 3.354 20 0 CGADMM CCc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1CC ZINC000436620116 542658976 /nfs/dbraw/zinc/65/89/76/542658976.db2.gz ZRBHSRFUXJZNCC-UHFFFAOYSA-N -1 1 297.354 3.338 20 0 CGADMM CO[C@H](C)c1nc(=NCC[C@H]2CCCC[C@H]2C)s[n-]1 ZINC000509554616 392759472 /nfs/dbraw/zinc/75/94/72/392759472.db2.gz RAYHDJLUTMKJPK-IJLUTSLNSA-N -1 1 283.441 3.296 20 0 CGADMM CC[C@@H]1Cc2ccccc2CN1C(=O)c1ncc(C)cc1[O-] ZINC000332557196 392699057 /nfs/dbraw/zinc/69/90/57/392699057.db2.gz UIHOAPIFQNNKMO-OAHLLOKOSA-N -1 1 296.370 3.073 20 0 CGADMM CCCC[C@@H]1CCC[C@H]1N=c1nc([C@H](C)OC)[n-]s1 ZINC000509677869 392766241 /nfs/dbraw/zinc/76/62/41/392766241.db2.gz CATSAXRAPVBCEA-QJPTWQEYSA-N -1 1 283.441 3.438 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccccc1SC(C)C ZINC000647815934 392808266 /nfs/dbraw/zinc/80/82/66/392808266.db2.gz RFHCIADAEBNCRK-UHFFFAOYSA-N -1 1 291.376 3.177 20 0 CGADMM O=C(NCc1cccc(O)c1)c1ccc2ccccc2c1[O-] ZINC000194182925 392905679 /nfs/dbraw/zinc/90/56/79/392905679.db2.gz ZFSULVCENOMRAP-UHFFFAOYSA-N -1 1 293.322 3.181 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000195067757 392954892 /nfs/dbraw/zinc/95/48/92/392954892.db2.gz XXVLLRNHSFVEEA-MRVPVSSYSA-N -1 1 296.342 3.464 20 0 CGADMM O=C(NCCOC1CCCC1)c1cc2ccccc2cc1[O-] ZINC000195571929 392971703 /nfs/dbraw/zinc/97/17/03/392971703.db2.gz UGDMMKDJSACMOC-UHFFFAOYSA-N -1 1 299.370 3.234 20 0 CGADMM CC(C)OCc1nc(=O)c2cc(C(F)(F)F)sc2[n-]1 ZINC000416413594 393310094 /nfs/dbraw/zinc/31/00/94/393310094.db2.gz PPRLGPSQVACOAM-UHFFFAOYSA-N -1 1 292.282 3.341 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000646412961 393279954 /nfs/dbraw/zinc/27/99/54/393279954.db2.gz KFVHSIIMUJJTSJ-ONGXEEELSA-N -1 1 279.384 3.215 20 0 CGADMM CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C)(C)C ZINC000649119096 393347225 /nfs/dbraw/zinc/34/72/25/393347225.db2.gz QREMXNLEYVMDOJ-UHFFFAOYSA-N -1 1 275.270 3.282 20 0 CGADMM O=C(/C=C\c1ccncc1)Nc1ccc([O-])c(Cl)c1 ZINC000492523289 393748232 /nfs/dbraw/zinc/74/82/32/393748232.db2.gz SISQBYFITVXKLG-RJRFIUFISA-N -1 1 274.707 3.093 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccoc3)n2)c(Cl)c1 ZINC000445450823 393795435 /nfs/dbraw/zinc/79/54/35/393795435.db2.gz XBUDBPHDKCKOEF-UHFFFAOYSA-N -1 1 262.652 3.356 20 0 CGADMM [O-]c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1F ZINC000445475263 393797631 /nfs/dbraw/zinc/79/76/31/393797631.db2.gz SWGHSASRMBXICN-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM Cc1ccncc1/C=C/c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445479113 393799286 /nfs/dbraw/zinc/79/92/86/393799286.db2.gz FKCIOKGNIZJVID-HWKANZROSA-N -1 1 297.289 3.455 20 0 CGADMM O=C(NCC1CCC(F)(F)CC1)c1ccc([O-])c(F)c1 ZINC000669743854 543124234 /nfs/dbraw/zinc/12/42/34/543124234.db2.gz YMFJMSHISJCRHB-UHFFFAOYSA-N -1 1 287.281 3.087 20 0 CGADMM Cc1cc2cc(CNC(=O)c3ccc([O-])c(F)c3)ccc2[nH]1 ZINC000672354256 543210857 /nfs/dbraw/zinc/21/08/57/543210857.db2.gz VUZHNEHVXACVQH-UHFFFAOYSA-N -1 1 298.317 3.251 20 0 CGADMM O=S(=O)(CC1CCCCC1)[N-]C1(C(F)F)CCCC1 ZINC000673586827 543245967 /nfs/dbraw/zinc/24/59/67/543245967.db2.gz CVKMAUQXMQVNNL-UHFFFAOYSA-N -1 1 295.395 3.064 20 0 CGADMM C[C@H](C[C@H]1CCOC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000675415217 543338052 /nfs/dbraw/zinc/33/80/52/543338052.db2.gz BMZPTQGGYLNHRH-CHWSQXEVSA-N -1 1 299.370 3.090 20 0 CGADMM Cc1cc(F)c(C(=O)Nc2ccc(F)cc2[O-])cc1F ZINC000676056228 543380163 /nfs/dbraw/zinc/38/01/63/543380163.db2.gz WCWIDGDDSBVDBT-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CCN(C[C@H]1CCOC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000677873482 543469874 /nfs/dbraw/zinc/46/98/74/543469874.db2.gz IKDRNQQBBBKDFM-CYBMUJFWSA-N -1 1 299.370 3.044 20 0 CGADMM CC(C)c1ccc(C(=O)N(C)c2nccs2)c([O-])c1 ZINC000678314087 543514163 /nfs/dbraw/zinc/51/41/63/543514163.db2.gz XOAQXAUMGBQTSE-UHFFFAOYSA-N -1 1 276.361 3.249 20 0 CGADMM Cc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000048194292 286902978 /nfs/dbraw/zinc/90/29/78/286902978.db2.gz ITXVSFBGIIEKBT-UHFFFAOYSA-N -1 1 281.764 3.346 20 0 CGADMM Cc1ccc([C@@H]2CCCCN2C(=O)c2cncc([O-])c2)cc1 ZINC000127258999 287284063 /nfs/dbraw/zinc/28/40/63/287284063.db2.gz IXKORLLQSCDGPR-KRWDZBQOSA-N -1 1 296.370 3.463 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CCC2(CCCC2)CC1 ZINC000289582044 304476827 /nfs/dbraw/zinc/47/68/27/304476827.db2.gz UAUNCOOSTGGAEM-UHFFFAOYSA-N -1 1 295.329 3.467 20 0 CGADMM C[C@H]1CN(Cc2cc(F)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000311500556 416531603 /nfs/dbraw/zinc/53/16/03/416531603.db2.gz YEYATQSPQHZPLJ-JOYOIKCWSA-N -1 1 285.746 3.022 20 0 CGADMM Cc1ccccc1C[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681018080 543757916 /nfs/dbraw/zinc/75/79/16/543757916.db2.gz ICSRGUZIKSGPHB-GFCCVEGCSA-N -1 1 287.334 3.201 20 0 CGADMM COc1ccc([C@@H](C)NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681017283 543757955 /nfs/dbraw/zinc/75/79/55/543757955.db2.gz OALAVTRZVJJNBP-SNVBAGLBSA-N -1 1 289.306 3.031 20 0 CGADMM CC(C)[C@H](C)N(C(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000681025389 543758816 /nfs/dbraw/zinc/75/88/16/543758816.db2.gz OWZJJYSMIIWTAQ-JTQLQIEISA-N -1 1 265.328 3.180 20 0 CGADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1F ZINC000681042601 543759223 /nfs/dbraw/zinc/75/92/23/543759223.db2.gz QIGWFYPYCYPTSG-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CCC1(C)CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681037918 543759371 /nfs/dbraw/zinc/75/93/71/543759371.db2.gz NDTIMYWKKXIGJI-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM O=C(NCCCc1cccc(F)c1)c1ccc([O-])c(F)c1 ZINC000681044309 543760516 /nfs/dbraw/zinc/76/05/16/543760516.db2.gz CWSHRPOIMXHEFH-UHFFFAOYSA-N -1 1 291.297 3.033 20 0 CGADMM O=C(Nc1cc(F)c(F)c(F)c1)c1ccc([O-])c(F)c1 ZINC000681048861 543760528 /nfs/dbraw/zinc/76/05/28/543760528.db2.gz IOQAIWXYUFLXAK-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)C1CCCCC1 ZINC000681050179 543760735 /nfs/dbraw/zinc/76/07/35/543760735.db2.gz XGKPGOBZWIPYLW-JTQLQIEISA-N -1 1 265.328 3.230 20 0 CGADMM CCC1(CNC(=O)c2ccc([O-])c(F)c2)CCCC1 ZINC000681056677 543762181 /nfs/dbraw/zinc/76/21/81/543762181.db2.gz UTIGWEIDNHJWMO-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681057737 543762250 /nfs/dbraw/zinc/76/22/50/543762250.db2.gz BURPHZBRUKZSIG-GHMZBOCLSA-N -1 1 265.328 3.040 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])c(F)c1)c1c(C)noc1C ZINC000681059568 543762487 /nfs/dbraw/zinc/76/24/87/543762487.db2.gz YDLTWQIFYQIZCX-LBPRGKRZSA-N -1 1 292.310 3.017 20 0 CGADMM O=C(Nc1cnc2c(c1)CCCC2)c1ccc([O-])c(F)c1 ZINC000681067126 543763050 /nfs/dbraw/zinc/76/30/50/543763050.db2.gz FEUJTJCUUMNIEE-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM O=C([O-])[C@@H](NCc1cccc(F)c1)c1cc(F)ccc1F ZINC000683175331 543901766 /nfs/dbraw/zinc/90/17/66/543901766.db2.gz VEGKIBKBBHXXDH-AWEZNQCLSA-N -1 1 295.260 3.019 20 0 CGADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccncc1 ZINC000683454427 543915702 /nfs/dbraw/zinc/91/57/02/543915702.db2.gz JJFSXTNBPRSBGS-VIFPVBQESA-N -1 1 273.361 3.308 20 0 CGADMM CN(Cc1nc(-c2ccc([O-])cc2F)no1)c1ccccc1 ZINC000683592246 543928015 /nfs/dbraw/zinc/92/80/15/543928015.db2.gz VXHWMVRRNUXNJC-UHFFFAOYSA-N -1 1 299.305 3.218 20 0 CGADMM COc1cccc(-c2noc(-c3ccc([O-])cc3F)n2)c1 ZINC000132006754 287394780 /nfs/dbraw/zinc/39/47/80/287394780.db2.gz ADVDFNHSPSHOKX-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM Cc1oc2ccc(NC(=O)c3cncc([O-])c3)cc2c1C ZINC000354881987 227200486 /nfs/dbraw/zinc/20/04/86/227200486.db2.gz LBHPYCANRBUVRV-UHFFFAOYSA-N -1 1 282.299 3.403 20 0 CGADMM CC(C)c1noc([N-][C@@H](c2ccccc2)[C@H](O)C(C)C)n1 ZINC000664531539 418973114 /nfs/dbraw/zinc/97/31/14/418973114.db2.gz MYGYSPUUJNODET-UONOGXRCSA-N -1 1 289.379 3.363 20 0 CGADMM CN(Cc1c(Br)cccc1C(=O)[O-])C1CCC1 ZINC000652416922 418964272 /nfs/dbraw/zinc/96/42/72/418964272.db2.gz LXBGNAXBKFTURB-UHFFFAOYSA-N -1 1 298.180 3.132 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC2(CC2(F)F)C1 ZINC000655192250 419030193 /nfs/dbraw/zinc/03/01/93/419030193.db2.gz QFSJBDSMPXWQHE-UHFFFAOYSA-N -1 1 289.281 3.027 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@@H]2CC2CCCC2)c([O-])c1 ZINC000655363989 419043014 /nfs/dbraw/zinc/04/30/14/419043014.db2.gz XGDHSOOTVWCMRZ-CQSZACIVSA-N -1 1 288.391 3.281 20 0 CGADMM C[C@H](c1ccc2ccccc2c1)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000652509043 418977321 /nfs/dbraw/zinc/97/73/21/418977321.db2.gz QXXWYVJWDYAQTE-PBFPGSCMSA-N -1 1 299.370 3.075 20 0 CGADMM Cc1ccnc(NC2CCC(C(=O)[O-])CC2)c1C1CC1 ZINC000665340530 419113096 /nfs/dbraw/zinc/11/30/96/419113096.db2.gz GDXJAPMGVVAHHR-UHFFFAOYSA-N -1 1 274.364 3.323 20 0 CGADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000665100274 419055299 /nfs/dbraw/zinc/05/52/99/419055299.db2.gz SUMGBPLTZCIJGN-TXEJJXNPSA-N -1 1 284.359 3.059 20 0 CGADMM Cc1cc(F)c(CN2CCC[C@H](CC(=O)[O-])C2)c(Cl)c1 ZINC000666580527 419227945 /nfs/dbraw/zinc/22/79/45/419227945.db2.gz LSCNKHLECJUYTD-LLVKDONJSA-N -1 1 299.773 3.474 20 0 CGADMM Cc1cccnc1-c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000355847435 228019994 /nfs/dbraw/zinc/01/99/94/228019994.db2.gz USVCNWJLQZGEBH-UHFFFAOYSA-N -1 1 293.286 3.090 20 0 CGADMM O=c1cc(C(F)F)nc(SC[C@@H]2C[C@H]3C[C@H]3C2)[n-]1 ZINC000663246514 419530284 /nfs/dbraw/zinc/53/02/84/419530284.db2.gz PPCZKMAFAOYYNQ-RNLVFQAGSA-N -1 1 272.320 3.258 20 0 CGADMM O=C(NCc1ccc(O)cc1)c1ccc2ccccc2c1[O-] ZINC000318422343 261077876 /nfs/dbraw/zinc/07/78/76/261077876.db2.gz KTBVLIOIUNAZJK-UHFFFAOYSA-N -1 1 293.322 3.181 20 0 CGADMM O=C(NCc1ccc(F)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000042353315 270032482 /nfs/dbraw/zinc/03/24/82/270032482.db2.gz KAIFJYWGLXDYNX-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM O=C(NCc1ccccc1Cl)c1c([O-])cccc1F ZINC000228834639 270087806 /nfs/dbraw/zinc/08/78/06/270087806.db2.gz OCEHGXDQVKCFLQ-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM CC[C@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000228854225 270088175 /nfs/dbraw/zinc/08/81/75/270088175.db2.gz MJYXFRFHPQNIDF-WDEREUQCSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@@H](CCNC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000229786920 270088657 /nfs/dbraw/zinc/08/86/57/270088657.db2.gz NBKFVLKKJUNDFZ-LBPRGKRZSA-N -1 1 287.334 3.455 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cccc(F)c3)no2)c(F)c1 ZINC000230225907 270088944 /nfs/dbraw/zinc/08/89/44/270088944.db2.gz HUUYQRHEFUABHX-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CC(C)c1nc(=NCCc2csc3ccccc23)o[n-]1 ZINC000522966961 270107444 /nfs/dbraw/zinc/10/74/44/270107444.db2.gz MHCCXMRFNKTGEY-UHFFFAOYSA-N -1 1 287.388 3.484 20 0 CGADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1cc(F)ccc1[O-] ZINC000530712587 270202455 /nfs/dbraw/zinc/20/24/55/270202455.db2.gz LOARIZGKZAGKTA-CQSZACIVSA-N -1 1 289.281 3.088 20 0 CGADMM CCc1ccc(CC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532267534 270214795 /nfs/dbraw/zinc/21/47/95/270214795.db2.gz WCHHXINLPLXNJR-UHFFFAOYSA-N -1 1 273.307 3.275 20 0 CGADMM C[C@H]1CCC[C@H](OCC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000532621054 270217936 /nfs/dbraw/zinc/21/79/36/270217936.db2.gz LNQGKTJSGKDROO-JQWIXIFHSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])[C@@H](C)[C@H]1C ZINC000399597829 288053321 /nfs/dbraw/zinc/05/33/21/288053321.db2.gz XVZHCRODAGHEDP-UTLUCORTSA-N -1 1 267.756 3.162 20 0 CGADMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cncc([O-])c1 ZINC000158399836 280161553 /nfs/dbraw/zinc/16/15/53/280161553.db2.gz AEUYZCHAXUCTOH-INIZCTEOSA-N -1 1 298.386 3.271 20 0 CGADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1Cc1ccccc1 ZINC000275392385 280242999 /nfs/dbraw/zinc/24/29/99/280242999.db2.gz XOSOGRVMKUXCGB-HNNXBMFYSA-N -1 1 296.370 3.025 20 0 CGADMM Cc1cc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)no1 ZINC000358818964 280287956 /nfs/dbraw/zinc/28/79/56/280287956.db2.gz CBDUONUOLXTWAG-UHFFFAOYSA-N -1 1 295.220 3.318 20 0 CGADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc(F)c1[O-] ZINC000530006300 288282085 /nfs/dbraw/zinc/28/20/85/288282085.db2.gz ONFCTEAEQKEVHM-ZWNOBZJWSA-N -1 1 281.327 3.065 20 0 CGADMM CCC[C@H]1C[C@@H](C(=O)Nc2cccc(F)c2[O-])CCO1 ZINC000530006855 288282158 /nfs/dbraw/zinc/28/21/58/288282158.db2.gz WBWIGQVJKJJVMC-QWRGUYRKSA-N -1 1 281.327 3.065 20 0 CGADMM CC1(C)CCN(C(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC000288950019 281086456 /nfs/dbraw/zinc/08/64/56/281086456.db2.gz OQNBCQRDFYCVDN-UHFFFAOYSA-N -1 1 297.354 3.426 20 0 CGADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cc(C(C)(C)C)on1 ZINC000530173064 288292757 /nfs/dbraw/zinc/29/27/57/288292757.db2.gz BQKXXDQAMCAXGS-GHMZBOCLSA-N -1 1 294.395 3.046 20 0 CGADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1c([O-])cccc1F ZINC000547472753 288963155 /nfs/dbraw/zinc/96/31/55/288963155.db2.gz YQXVJTAZHCFMEZ-CYBMUJFWSA-N -1 1 289.281 3.088 20 0 CGADMM O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1cncc([O-])c1 ZINC000562744553 289731915 /nfs/dbraw/zinc/73/19/15/289731915.db2.gz YPYAIBMXGFJOME-WMLDXEAASA-N -1 1 296.370 3.101 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@H]1C ZINC000153782224 321727289 /nfs/dbraw/zinc/72/72/89/321727289.db2.gz SEXDJHJHCOKDDR-VHSXEESVSA-N -1 1 267.756 3.164 20 0 CGADMM O=C([O-])[C@@H](NCc1cccc(F)c1F)c1cccc(F)c1 ZINC000563823872 322011955 /nfs/dbraw/zinc/01/19/55/322011955.db2.gz WSYNZSDPHYPNQY-AWEZNQCLSA-N -1 1 295.260 3.019 20 0 CGADMM C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCSC2(CCC2)CC1 ZINC000563976927 322016986 /nfs/dbraw/zinc/01/69/86/322016986.db2.gz SDYFKRFHCGNTHD-NSHDSACASA-N -1 1 295.404 3.400 20 0 CGADMM Cc1cc(F)ccc1CN(C)Cc1cc(C(=O)[O-])co1 ZINC000565104913 322060291 /nfs/dbraw/zinc/06/02/91/322060291.db2.gz KCTFZBQVBRAMOM-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccsc2)nc1 ZINC000566358295 322117763 /nfs/dbraw/zinc/11/77/63/322117763.db2.gz GYQUWASJPCTDTL-AWEZNQCLSA-N -1 1 288.372 3.178 20 0 CGADMM CCc1nc(SC2CC(OC(C)(C)C)C2)[n-]c(=O)c1C ZINC000567063185 322149111 /nfs/dbraw/zinc/14/91/11/322149111.db2.gz RDEPQAUBXODLNP-UHFFFAOYSA-N -1 1 296.436 3.491 20 0 CGADMM C[C@H](CC(=O)[O-])[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000569701526 322254788 /nfs/dbraw/zinc/25/47/88/322254788.db2.gz CYEGGJGWRYAOAY-MRVPVSSYSA-N -1 1 276.163 3.288 20 0 CGADMM O=c1cc(C(F)F)nc(SCCOc2ccccc2)[n-]1 ZINC000570248954 322268900 /nfs/dbraw/zinc/26/89/00/322268900.db2.gz ZDMHFPRGVKDLMI-UHFFFAOYSA-N -1 1 298.314 3.291 20 0 CGADMM Cc1cnc(SC[C@@H]2CCCC[C@@H]2C)[n-]c1=O ZINC000570651110 322278825 /nfs/dbraw/zinc/27/88/25/322278825.db2.gz RYUYMNYCSHDSHA-ONGXEEELSA-N -1 1 252.383 3.409 20 0 CGADMM CCc1nc(SCc2cccc(F)c2)[n-]c(=O)c1C ZINC000572617929 322346547 /nfs/dbraw/zinc/34/65/47/322346547.db2.gz MFEJPUQYKDWWNA-UHFFFAOYSA-N -1 1 278.352 3.484 20 0 CGADMM C[C@@H](CC(=O)[O-])N(C)Cc1csc(-c2cccs2)n1 ZINC000573340230 322383447 /nfs/dbraw/zinc/38/34/47/322383447.db2.gz OHEYFBHBPWKVLD-VIFPVBQESA-N -1 1 296.417 3.167 20 0 CGADMM CSc1n[nH]c(NC(=O)c2cccc(C(C)(C)C)c2)n1 ZINC000573623124 322397983 /nfs/dbraw/zinc/39/79/83/322397983.db2.gz IJURYBWUXQYNGH-UHFFFAOYSA-N -1 1 290.392 3.076 20 0 CGADMM C[C@H](CSc1nc(C(F)F)cc(=O)[n-]1)C(F)(F)F ZINC000573736661 322404212 /nfs/dbraw/zinc/40/42/12/322404212.db2.gz AKBVNSRMHVMPLQ-SCSAIBSYSA-N -1 1 288.241 3.410 20 0 CGADMM CCc1nc(S[C@@H](C)c2ncc(C)o2)[n-]c(=O)c1C ZINC000582676181 329124065 /nfs/dbraw/zinc/12/40/65/329124065.db2.gz DTBZFDPZNAFYLU-VIFPVBQESA-N -1 1 279.365 3.203 20 0 CGADMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)c(F)c1 ZINC000181847483 335788239 /nfs/dbraw/zinc/78/82/39/335788239.db2.gz UWYJHWAKAUZVPU-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])[C@@H]1C ZINC000177000207 500644960 /nfs/dbraw/zinc/64/49/60/500644960.db2.gz YDUYLGRZTHDRBA-VXGBXAGGSA-N -1 1 269.344 3.416 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])o1 ZINC000424422856 533743991 /nfs/dbraw/zinc/74/39/91/533743991.db2.gz UDVBMCYHPHGCLF-UQFNBPPOSA-N -1 1 277.364 3.088 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc([O-])cc2F)[C@@H]1C ZINC000436593275 533856441 /nfs/dbraw/zinc/85/64/41/533856441.db2.gz AKQSJBIHFQKJDA-IJLUTSLNSA-N -1 1 279.355 3.333 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])[C@@H]1C ZINC000177080083 534005476 /nfs/dbraw/zinc/00/54/76/534005476.db2.gz ZGWOQKAEHCXYCP-RKDXNWHRSA-N -1 1 298.180 3.025 20 0 CGADMM Cc1cc2cc[nH]c2cc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436561223 534107511 /nfs/dbraw/zinc/10/75/11/534107511.db2.gz GZAAQPYJTFNPRB-UHFFFAOYSA-N -1 1 294.310 3.003 20 0 CGADMM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1c([O-])cccc1F ZINC000436956523 534116272 /nfs/dbraw/zinc/11/62/72/534116272.db2.gz MYMPKUYHJBZVOT-QFYYESIMSA-N -1 1 285.318 3.195 20 0 CGADMM Cc1ccc(-c2ccc(CN[C@H](C(=O)[O-])C3CC3)o2)cc1 ZINC000417608067 534187014 /nfs/dbraw/zinc/18/70/14/534187014.db2.gz NRQUMIYSOZRDNH-INIZCTEOSA-N -1 1 285.343 3.208 20 0 CGADMM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436724150 534204543 /nfs/dbraw/zinc/20/45/43/534204543.db2.gz PIYSPSJOUBENSH-WFASDCNBSA-N -1 1 299.370 3.233 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C)ccc2C)c1 ZINC000436512692 534231772 /nfs/dbraw/zinc/23/17/72/534231772.db2.gz ZHGWGYARMAOHKM-UHFFFAOYSA-N -1 1 299.326 3.048 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000359156244 534307713 /nfs/dbraw/zinc/30/77/13/534307713.db2.gz DHXAKKUADUDBGA-RYUDHWBXSA-N -1 1 288.372 3.092 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\c3cncs3)n2)c(F)c1 ZINC000436880543 534451605 /nfs/dbraw/zinc/45/16/05/534451605.db2.gz RQOWQKVKSJAKBN-RQOWECAXSA-N -1 1 289.291 3.208 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\c3cncs3)n2)cc1F ZINC000436877864 534452117 /nfs/dbraw/zinc/45/21/17/534452117.db2.gz IACKEMZLZSGSEV-RQOWECAXSA-N -1 1 289.291 3.208 20 0 CGADMM CCCC(=O)Nc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000055549822 519879892 /nfs/dbraw/zinc/87/98/92/519879892.db2.gz SNJZGUVBCYFOQY-UHFFFAOYSA-N -1 1 298.342 3.383 20 0 CGADMM O=C(Nc1csc2ccccc12)C(=O)c1ccc([O-])cc1 ZINC000437001476 534469503 /nfs/dbraw/zinc/46/95/03/534469503.db2.gz QZSXCUIUSHRNPK-UHFFFAOYSA-N -1 1 297.335 3.428 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000176090974 534660391 /nfs/dbraw/zinc/66/03/91/534660391.db2.gz XXOYEGLVCMXJTB-PHIMTYICSA-N -1 1 279.767 3.308 20 0 CGADMM CN1C(=O)c2ccccc2N[C@H]1c1ccc([O-])c(Cl)c1 ZINC000049394830 523737216 /nfs/dbraw/zinc/73/72/16/523737216.db2.gz DBGYASZZHFLTRL-CQSZACIVSA-N -1 1 288.734 3.242 20 0 CGADMM O=C(Nc1ccc(OCC(F)F)cc1)c1ccccc1[O-] ZINC000436571364 534836284 /nfs/dbraw/zinc/83/62/84/534836284.db2.gz CTYQAHQPWVCQIE-UHFFFAOYSA-N -1 1 293.269 3.288 20 0 CGADMM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000412825664 526667314 /nfs/dbraw/zinc/66/73/14/526667314.db2.gz PQIPTEJLHXINCB-TZMCWYRMSA-N -1 1 279.355 3.476 20 0 CGADMM Cc1nc(CSc2nc(C3CC3)cc(=O)[n-]2)cs1 ZINC000103409138 526916782 /nfs/dbraw/zinc/91/67/82/526916782.db2.gz YGAVOFLOCJEQHQ-UHFFFAOYSA-N -1 1 279.390 3.117 20 0 CGADMM CC(C)(CF)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436922870 527065730 /nfs/dbraw/zinc/06/57/30/527065730.db2.gz QUMGJLAJQBODHI-UHFFFAOYSA-N -1 1 261.296 3.023 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)c2ccco2)n1 ZINC000412980831 528614030 /nfs/dbraw/zinc/61/40/30/528614030.db2.gz TYDSAQHESPWXMF-SECBINFHSA-N -1 1 292.360 3.091 20 0 CGADMM CCCn1nccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436535154 528896715 /nfs/dbraw/zinc/89/67/15/528896715.db2.gz MVMPUDNNNRTWMM-UHFFFAOYSA-N -1 1 295.342 3.404 20 0 CGADMM CC[C@H](C)c1ncc(NC(=O)c2ccc([O-])cc2F)cn1 ZINC000436917163 529281048 /nfs/dbraw/zinc/28/10/48/529281048.db2.gz AKSIECCVNOONCC-VIFPVBQESA-N -1 1 289.310 3.087 20 0 CGADMM CC(C)(C)c1ccccc1OCC[N-]C(=O)C(F)(F)F ZINC000731202170 572400536 /nfs/dbraw/zinc/40/05/36/572400536.db2.gz BRMYTIQMHFCAKX-UHFFFAOYSA-N -1 1 289.297 3.041 20 0 CGADMM CCCCc1nnc([N-]C(=O)c2ncoc2C(C)C)s1 ZINC000731875768 572432294 /nfs/dbraw/zinc/43/22/94/572432294.db2.gz FJWSKVURUOYGGH-UHFFFAOYSA-N -1 1 294.380 3.244 20 0 CGADMM O=C([N-]c1nc(C2CC2)no1)c1cc2cccc(F)c2o1 ZINC000743419871 572659183 /nfs/dbraw/zinc/65/91/83/572659183.db2.gz OJCTVEPLVQXDPY-UHFFFAOYSA-N -1 1 287.250 3.085 20 0 CGADMM CCSCC[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000743807115 572684905 /nfs/dbraw/zinc/68/49/05/572684905.db2.gz FOZSLPNYVKAAQA-VIFPVBQESA-N -1 1 287.812 3.307 20 0 CGADMM C[C@H]1CN(Cc2cc(C(=O)[O-])co2)Cc2ccccc21 ZINC000736806725 572815558 /nfs/dbraw/zinc/81/55/58/572815558.db2.gz DUBOXPZRRJQGIH-NSHDSACASA-N -1 1 271.316 3.097 20 0 CGADMM O=C(OC[C@H]1CC1(Cl)Cl)c1c([O-])cc(F)cc1F ZINC000749278792 572991466 /nfs/dbraw/zinc/99/14/66/572991466.db2.gz MOBKHVXJGVBNML-RXMQYKEDSA-N -1 1 297.084 3.021 20 0 CGADMM CCc1cccnc1[C@@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000820485887 597661767 /nfs/dbraw/zinc/66/17/67/597661767.db2.gz TXMOWUHCUZDJKS-GFCCVEGCSA-N -1 1 284.359 3.193 20 0 CGADMM Cc1ccc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC000737318332 599414373 /nfs/dbraw/zinc/41/43/73/599414373.db2.gz AEDQNJVVZYJHAX-GFCCVEGCSA-N -1 1 294.362 3.052 20 0 CGADMM Cc1ccc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC000737318332 599414377 /nfs/dbraw/zinc/41/43/77/599414377.db2.gz AEDQNJVVZYJHAX-GFCCVEGCSA-N -1 1 294.362 3.052 20 0 CGADMM CCC[C@@H](C)N(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821016376 599473176 /nfs/dbraw/zinc/47/31/76/599473176.db2.gz VLGSXUUQAHPBQA-LLVKDONJSA-N -1 1 296.378 3.040 20 0 CGADMM CCC[C@@H](C)N(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821016376 599473179 /nfs/dbraw/zinc/47/31/79/599473179.db2.gz VLGSXUUQAHPBQA-LLVKDONJSA-N -1 1 296.378 3.040 20 0 CGADMM CCCC[C@@H](Sc1nc2ccc(OC)cc2[nH]1)C(=O)[O-] ZINC000132399736 600935099 /nfs/dbraw/zinc/93/50/99/600935099.db2.gz CJNALFQZIDMOJI-GFCCVEGCSA-N -1 1 294.376 3.307 20 0 CGADMM O=C([O-])[C@@H](c1ccccc1F)[N@H+]1CCc2ccccc2C1 ZINC000212255199 600981141 /nfs/dbraw/zinc/98/11/41/600981141.db2.gz RLVBABYKPNKYBY-MRXNPFEDSA-N -1 1 285.318 3.010 20 0 CGADMM O=C([O-])c1ccc(CN2CC[C@@H]2c2ccccc2)s1 ZINC000833313453 601958335 /nfs/dbraw/zinc/95/83/35/601958335.db2.gz VPJKYJFCODHFDK-CYBMUJFWSA-N -1 1 273.357 3.393 20 0 CGADMM CC(C)C[C@H](CNC(=O)[O-])N[C@@H](C)c1cccnc1Cl ZINC000824204567 604307245 /nfs/dbraw/zinc/30/72/45/604307245.db2.gz SYDWHHLOEGBLLG-WDEREUQCSA-N -1 1 299.802 3.068 20 0 CGADMM Cc1ccsc1CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000086760037 604465063 /nfs/dbraw/zinc/46/50/63/604465063.db2.gz SAFPHFYRQLWEFO-CQSZACIVSA-N -1 1 287.384 3.068 20 0 CGADMM CCc1cnccc1[C@@H](C)NCc1cc(C)c(C(=O)[O-])o1 ZINC000833675343 605271142 /nfs/dbraw/zinc/27/11/42/605271142.db2.gz WZTIICQATWEMGY-LLVKDONJSA-N -1 1 288.347 3.094 20 0 CGADMM C[C@@H](c1nc2ccccc2o1)N1CCC(CC(=O)[O-])CC1 ZINC000833552258 605323672 /nfs/dbraw/zinc/32/36/72/605323672.db2.gz ZYUZQSDOCXIQTR-NSHDSACASA-N -1 1 288.347 3.076 20 0 CGADMM CCc1cc(NCc2ccc(-c3nn[n-]n3)s2)ccc1C ZINC000825700520 609346364 /nfs/dbraw/zinc/34/63/64/609346364.db2.gz IQIYZJGYJBBQQQ-UHFFFAOYSA-N -1 1 299.403 3.411 20 0 CGADMM Cc1sc(CNCc2cccc(C)c2C)nc1C(=O)[O-] ZINC000900063989 620756890 /nfs/dbraw/zinc/75/68/90/620756890.db2.gz FHIKHSRAUZOHOR-UHFFFAOYSA-N -1 1 290.388 3.056 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCc2ccccc2C1 ZINC000049081157 618058079 /nfs/dbraw/zinc/05/80/79/618058079.db2.gz WGXKORAUQGWUMK-UHFFFAOYSA-N -1 1 287.746 3.244 20 0 CGADMM C[C@]1(C(=O)Nc2ccc([O-])c(Cl)c2)C=CCC1 ZINC000935021261 618719512 /nfs/dbraw/zinc/71/95/12/618719512.db2.gz UOTXIHSXNVXKJQ-ZDUSSCGKSA-N -1 1 251.713 3.340 20 0 CGADMM CSC1(CNC(=O)c2ccc([O-])cc2F)CCCCC1 ZINC000235196114 618737494 /nfs/dbraw/zinc/73/74/94/618737494.db2.gz IKXPZLKWYYTUST-UHFFFAOYSA-N -1 1 297.395 3.327 20 0 CGADMM CC1(C)CC[C@@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000312731557 619134981 /nfs/dbraw/zinc/13/49/81/619134981.db2.gz WDGURRTZXXEVGS-HNNXBMFYSA-N -1 1 269.344 3.464 20 0 CGADMM C[C@@H](C1CC1)N(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895605105 619857017 /nfs/dbraw/zinc/85/70/17/619857017.db2.gz NLYVECNIYQDSOC-JTQLQIEISA-N -1 1 285.343 3.122 20 0 CGADMM CC[C@@H](C)CN(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896291077 619989350 /nfs/dbraw/zinc/98/93/50/619989350.db2.gz VNLPOSSVCWOQAO-LLVKDONJSA-N -1 1 287.359 3.369 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000896310645 619991916 /nfs/dbraw/zinc/99/19/16/619991916.db2.gz FDQBYAWOGYACMF-AAEUAGOBSA-N -1 1 294.782 3.130 20 0 CGADMM O=C(Nc1c([O-])cccc1F)C1C[C@H]2CC[C@@H](C1)S2 ZINC000896402952 620001737 /nfs/dbraw/zinc/00/17/37/620001737.db2.gz LTKXMRPTEBVYAO-PBINXNQUSA-N -1 1 281.352 3.144 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@@H](C2CC2)C1 ZINC000897266511 620174614 /nfs/dbraw/zinc/17/46/14/620174614.db2.gz KYRAYENFKMJBOC-CYBMUJFWSA-N -1 1 297.354 3.123 20 0 CGADMM C[C@@H]1CN(Cc2ccc(/C=C\C(=O)[O-])o2)C[C@@H](C)C1(F)F ZINC000901539583 620919509 /nfs/dbraw/zinc/91/95/09/620919509.db2.gz IOFSBMHTDLOZCP-ADRPCIBZSA-N -1 1 299.317 3.101 20 0 CGADMM CCc1nc(SC[C@H]2C[C@@H](C)O[C@@H](C)C2)[n-]c(=O)c1C ZINC000901564263 620931088 /nfs/dbraw/zinc/93/10/88/620931088.db2.gz RVQNRAYZVJFCTL-IAZYJMLFSA-N -1 1 296.436 3.349 20 0 CGADMM COC/C(C)=C\CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000901589115 620938074 /nfs/dbraw/zinc/93/80/74/620938074.db2.gz YDTIKDCZQADQPW-TWGQIWQCSA-N -1 1 280.393 3.053 20 0 CGADMM CCc1oc(CN[C@H](C)c2ccsc2)cc1C(=O)[O-] ZINC000902201480 621193270 /nfs/dbraw/zinc/19/32/70/621193270.db2.gz NTLBULVJNLHZSV-SECBINFHSA-N -1 1 279.361 3.453 20 0 CGADMM Cc1cc(C)cc([C@H](C)NCc2cc(C(=O)[O-])co2)c1 ZINC000902235195 621206104 /nfs/dbraw/zinc/20/61/04/621206104.db2.gz KGNCSEFTOJMELE-LBPRGKRZSA-N -1 1 273.332 3.445 20 0 CGADMM CC1(C)C[C@H](NCc2cccc(C(=O)[O-])n2)c2ccccc21 ZINC000902263466 621215611 /nfs/dbraw/zinc/21/56/11/621215611.db2.gz MSMYAOYLVFOVQA-INIZCTEOSA-N -1 1 296.370 3.292 20 0 CGADMM Cc1cc(CNC2(c3ccccc3C)CC2)oc1C(=O)[O-] ZINC000902272447 621236463 /nfs/dbraw/zinc/23/64/63/621236463.db2.gz WXEVGYPLYZNDFE-UHFFFAOYSA-N -1 1 285.343 3.374 20 0 CGADMM Cc1cccc([C@@H](NCc2cc(C(=O)[O-])no2)C(C)C)c1 ZINC000902339474 621252606 /nfs/dbraw/zinc/25/26/06/621252606.db2.gz WOJIVNBEKFBSIC-HNNXBMFYSA-N -1 1 288.347 3.168 20 0 CGADMM CCc1oc(CN[C@H](CC)CC(F)(F)F)cc1C(=O)[O-] ZINC000902336434 621270814 /nfs/dbraw/zinc/27/08/14/621270814.db2.gz HDZLVXURAVCILL-MRVPVSSYSA-N -1 1 293.285 3.361 20 0 CGADMM O=C([O-])c1coc(CN[C@H]2CCCc3ccc(F)cc32)c1 ZINC000902396118 621304821 /nfs/dbraw/zinc/30/48/21/621304821.db2.gz FMWAYGZTBQKNBG-HNNXBMFYSA-N -1 1 289.306 3.284 20 0 CGADMM CC[C@@H](NCc1cc(C(=O)[O-])cs1)c1c(C)noc1C ZINC000902426021 621313708 /nfs/dbraw/zinc/31/37/08/621313708.db2.gz TTWKSTQXVFZFPX-GFCCVEGCSA-N -1 1 294.376 3.292 20 0 CGADMM Cc1ccc(F)c(C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)c1F ZINC000903608997 621771134 /nfs/dbraw/zinc/77/11/34/621771134.db2.gz QTPXUBWJIRIZDZ-SNVBAGLBSA-N -1 1 283.318 3.101 20 0 CGADMM CCc1ncc(CNCc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000904020883 621851621 /nfs/dbraw/zinc/85/16/21/621851621.db2.gz LRFBTIVILMHDPH-UHFFFAOYSA-N -1 1 290.388 3.002 20 0 CGADMM CCC(C)(CC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985826 622441110 /nfs/dbraw/zinc/44/11/10/622441110.db2.gz QMZFTERACJKFTL-UHFFFAOYSA-N -1 1 257.280 3.435 20 0 CGADMM CCC[C@H]1C[C@H](C(=O)Nc2cc([O-])c(F)cc2F)CCO1 ZINC000909985388 622441619 /nfs/dbraw/zinc/44/16/19/622441619.db2.gz JLBUKCHUJIARSF-ZJUUUORDSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C(F)=C1CCC1 ZINC000909987791 622444268 /nfs/dbraw/zinc/44/42/68/622444268.db2.gz IKZXMMUDFFPPJS-UHFFFAOYSA-N -1 1 257.211 3.016 20 0 CGADMM CCC[C@H]1C[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])CCO1 ZINC000910983008 622513594 /nfs/dbraw/zinc/51/35/94/622513594.db2.gz OEXYXXPVONAWSN-KOLCDFICSA-N -1 1 299.317 3.204 20 0 CGADMM CC1(C)CO[C@@H](CCC(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910991967 622514497 /nfs/dbraw/zinc/51/44/97/622514497.db2.gz VEXRFNAFMHDCQJ-JTQLQIEISA-N -1 1 299.317 3.204 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC=CC12CCCCC2 ZINC000912479185 622667745 /nfs/dbraw/zinc/66/77/45/622667745.db2.gz XLCJVMYYJPEPOO-UHFFFAOYSA-N -1 1 275.323 3.246 20 0 CGADMM CCCCc1nc(C)c(CC(=O)[N-]OCC2CCC2)s1 ZINC000912724775 622693854 /nfs/dbraw/zinc/69/38/54/622693854.db2.gz RFTRIWUGBFHKKO-UHFFFAOYSA-N -1 1 296.436 3.185 20 0 CGADMM C[C@H](C(=O)[N-]OCc1ccccc1)c1cccc(F)c1 ZINC000172973970 623302465 /nfs/dbraw/zinc/30/24/65/623302465.db2.gz SIFFJJGKCHEXRL-LBPRGKRZSA-N -1 1 273.307 3.177 20 0 CGADMM CCc1cc(=O)[n-]c(SC2CC3(CCC3)C2)n1 ZINC000917512235 624278275 /nfs/dbraw/zinc/27/82/75/624278275.db2.gz CBIAKDLRPYYFTO-UHFFFAOYSA-N -1 1 250.367 3.169 20 0 CGADMM C[C@@H](CSC[C@@H]1CCCO1)C(=O)c1ccc([O-])cc1 ZINC000917552665 624287176 /nfs/dbraw/zinc/28/71/76/624287176.db2.gz KFQGUJVMSVTZTE-FZMZJTMJSA-N -1 1 280.389 3.123 20 0 CGADMM C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc2c(c1)CCCC2 ZINC000070266833 624992988 /nfs/dbraw/zinc/99/29/88/624992988.db2.gz UVXBGQBFMDNWSJ-SECBINFHSA-N -1 1 271.282 3.305 20 0 CGADMM Cc1ccc(CN2CCC[C@@H](CCC(=O)[O-])C2)nc1Cl ZINC000873642140 634469935 /nfs/dbraw/zinc/46/99/35/634469935.db2.gz OBHAZDDJJQYQNN-LBPRGKRZSA-N -1 1 296.798 3.120 20 0 CGADMM Cc1nc(CN2CCC[C@H](C(=O)[O-])C2)sc1C(C)(C)C ZINC000923233791 626138321 /nfs/dbraw/zinc/13/83/21/626138321.db2.gz ZADYBRKQPXBCFV-NSHDSACASA-N -1 1 296.436 3.046 20 0 CGADMM CCc1ccc(CC(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000788158684 626358211 /nfs/dbraw/zinc/35/82/11/626358211.db2.gz NGRQTONBJQKOII-UHFFFAOYSA-N -1 1 290.750 3.184 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])nc1 ZINC000754487406 626573186 /nfs/dbraw/zinc/57/31/86/626573186.db2.gz HSRSHVDYMFUUAK-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM C[C@@H](C(=O)[N-]OCc1ccc(F)cc1)c1ccsc1 ZINC000754714730 626583827 /nfs/dbraw/zinc/58/38/27/626583827.db2.gz WLCFCCQTSMUJBY-SNVBAGLBSA-N -1 1 279.336 3.239 20 0 CGADMM O=C(/C=C\c1cccc(F)c1)Nc1c([O-])cccc1F ZINC000760196688 626943860 /nfs/dbraw/zinc/94/38/60/626943860.db2.gz MRPBGCRYXGBEPX-FPLPWBNLSA-N -1 1 275.254 3.322 20 0 CGADMM C[C@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000766492028 627338079 /nfs/dbraw/zinc/33/80/79/627338079.db2.gz KLTRIGSRKFXJDK-SSDOTTSWSA-N -1 1 299.214 3.375 20 0 CGADMM O=C(CCCCCc1cccs1)[N-]OCC(F)(F)F ZINC000766774236 627360079 /nfs/dbraw/zinc/36/00/79/627360079.db2.gz CEPGWJLMEPNYPO-UHFFFAOYSA-N -1 1 295.326 3.461 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N(CCc1ccccc1)C1CC1 ZINC000767917153 627443573 /nfs/dbraw/zinc/44/35/73/627443573.db2.gz XSTDPPSDLJTVCQ-UHFFFAOYSA-N -1 1 299.345 3.379 20 0 CGADMM CSC[C@@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000770032413 627599292 /nfs/dbraw/zinc/59/92/92/627599292.db2.gz MOTLSRGZXHTERF-VIFPVBQESA-N -1 1 285.796 3.013 20 0 CGADMM Cc1nsc([N-]c2cnn(-c3ccccc3Cl)c2)n1 ZINC000771199882 627690095 /nfs/dbraw/zinc/69/00/95/627690095.db2.gz KEMPIVAAHXGSJX-UHFFFAOYSA-N -1 1 291.767 3.429 20 0 CGADMM O=C(C[C@H]1OCCc2ccccc21)[N-]OC1CCCCC1 ZINC000777949208 628313915 /nfs/dbraw/zinc/31/39/15/628313915.db2.gz KOGRDSVAJCWBCF-MRXNPFEDSA-N -1 1 289.375 3.071 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2csc(-c3ccsc3)n2)S1 ZINC000874928242 634654443 /nfs/dbraw/zinc/65/44/43/634654443.db2.gz QBMLHBYKMSXPIJ-BAQGIRSFSA-N -1 1 294.382 3.196 20 0 CGADMM CCCn1ccc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000788169960 629039275 /nfs/dbraw/zinc/03/92/75/629039275.db2.gz DKRLMYSQXDEFTA-UHFFFAOYSA-N -1 1 292.766 3.187 20 0 CGADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])ccc1F ZINC000789930507 629174388 /nfs/dbraw/zinc/17/43/88/629174388.db2.gz SZXNUEYRXSKNEF-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(Cl)c1 ZINC000789929712 629174557 /nfs/dbraw/zinc/17/45/57/629174557.db2.gz COVPATIEXQENCM-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM C[C@H]1CCC[C@H](C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000789930031 629174777 /nfs/dbraw/zinc/17/47/77/629174777.db2.gz NRLFTDMZYDYNGW-IUCAKERBSA-N -1 1 268.744 3.205 20 0 CGADMM CCC/C(C)=C/C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790050734 629180731 /nfs/dbraw/zinc/18/07/31/629180731.db2.gz HSYAOCOXMFDQPX-BQYQJAHWSA-N -1 1 254.717 3.126 20 0 CGADMM CCc1cc(O)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000791157879 629258119 /nfs/dbraw/zinc/25/81/19/629258119.db2.gz SWJOURGHSJXEKS-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM CCC(=CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)CC ZINC000863476402 629582548 /nfs/dbraw/zinc/58/25/48/629582548.db2.gz CQJRRICEDOUIQA-UHFFFAOYSA-N -1 1 285.347 3.263 20 0 CGADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1c([O-])cccc1Cl ZINC000797767898 629980584 /nfs/dbraw/zinc/98/05/84/629980584.db2.gz GJBYEZFBQIFWDM-MRVPVSSYSA-N -1 1 289.709 3.211 20 0 CGADMM O=C(Nc1ccc(CO)cc1)c1cc2ccccc2cc1[O-] ZINC000205180848 630002629 /nfs/dbraw/zinc/00/26/29/630002629.db2.gz GOUSCTWTPOGIOG-UHFFFAOYSA-N -1 1 293.322 3.290 20 0 CGADMM CCc1nc(S[C@@H](C)C(=O)C(C)(C)C)[n-]c(=O)c1C ZINC000865371495 630080718 /nfs/dbraw/zinc/08/07/18/630080718.db2.gz YMKMSQXVDAKTQP-VIFPVBQESA-N -1 1 282.409 3.149 20 0 CGADMM CC(C)c1[nH]ccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000803172319 630450844 /nfs/dbraw/zinc/45/08/44/630450844.db2.gz MTCNNKFPCDWVAU-UHFFFAOYSA-N -1 1 279.727 3.144 20 0 CGADMM COc1ccc(C(=O)N2CCc3cc(C)c(C)cc32)c([O-])c1 ZINC000804319973 630519615 /nfs/dbraw/zinc/51/96/15/630519615.db2.gz FXXVCZRDTIWQCV-UHFFFAOYSA-N -1 1 297.354 3.221 20 0 CGADMM CC(C)(C)C1CN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876396557 634826438 /nfs/dbraw/zinc/82/64/38/634826438.db2.gz JPLQOMBNQGXHRA-UHFFFAOYSA-N -1 1 296.798 3.233 20 0 CGADMM CCN(CC(C)C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394898 634826721 /nfs/dbraw/zinc/82/67/21/634826721.db2.gz QLLSHSPNQNHNNM-UHFFFAOYSA-N -1 1 284.787 3.233 20 0 CGADMM Cc1ccc(CCC(=O)Nc2nc(Cl)ccc2[O-])s1 ZINC000811396000 631062399 /nfs/dbraw/zinc/06/23/99/631062399.db2.gz DXMPQUSGQMBCFG-UHFFFAOYSA-N -1 1 296.779 3.382 20 0 CGADMM CCc1ccc([C@@H](C)C(=O)[N-]OC/C=C\Cl)cc1 ZINC000812401685 631246026 /nfs/dbraw/zinc/24/60/26/631246026.db2.gz NJUPBKFNQGIFQU-KSHIFHCESA-N -1 1 267.756 3.153 20 0 CGADMM Cn1ncc(NCc2cccc([O-])c2Cl)c1C1CC1 ZINC000815133889 631726387 /nfs/dbraw/zinc/72/63/87/631726387.db2.gz ANENKTBYLDJZOQ-UHFFFAOYSA-N -1 1 277.755 3.269 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)[C@H]1CCCc2ccccc21 ZINC000816980463 632068968 /nfs/dbraw/zinc/06/89/68/632068968.db2.gz LQLHAYXWYKSQHG-DOMZBBRYSA-N -1 1 261.365 3.200 20 0 CGADMM C[C@H](C(=O)[N-]OCCC1CC1)c1cn(C)c2ccccc12 ZINC000817403180 632138553 /nfs/dbraw/zinc/13/85/53/632138553.db2.gz BKWBLIWDGDBZRQ-LBPRGKRZSA-N -1 1 286.375 3.130 20 0 CGADMM COc1cnc(C=Cc2sccc2Cl)[n-]c1=O ZINC000821007102 632710659 /nfs/dbraw/zinc/71/06/59/632710659.db2.gz CLWWEOCBQNVWEL-NSCUHMNNSA-N -1 1 268.725 3.076 20 0 CGADMM COc1cnc(C=Cc2ccccc2OC(C)C)[n-]c1=O ZINC000821009301 632711209 /nfs/dbraw/zinc/71/12/09/632711209.db2.gz ZDCZBRDUHBFKEP-CMDGGOBGSA-N -1 1 286.331 3.148 20 0 CGADMM O=C(C[C@@H]1CCCC1(F)F)Nc1cc(F)cc(F)c1[O-] ZINC000822978091 633045156 /nfs/dbraw/zinc/04/51/56/633045156.db2.gz ZUEDXFUFWCCFAW-ZETCQYMHSA-N -1 1 291.244 3.434 20 0 CGADMM C[C@]1(CC(=O)Nc2ccc(F)cc2[O-])CC1(Cl)Cl ZINC000827003905 633448002 /nfs/dbraw/zinc/44/80/02/633448002.db2.gz BMJWVUFFFIFDHD-NSHDSACASA-N -1 1 292.137 3.444 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000828851569 633660876 /nfs/dbraw/zinc/66/08/76/633660876.db2.gz ZIQFGBHCYJCKSY-RWMBFGLXSA-N -1 1 293.794 3.488 20 0 CGADMM CC1(F)CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000871074194 633691193 /nfs/dbraw/zinc/69/11/93/633691193.db2.gz DCFKOVVVYJMLFJ-UHFFFAOYSA-N -1 1 271.719 3.010 20 0 CGADMM CCC(F)(F)C(=O)[N-][C@H](C1CCCC1)C(F)(F)F ZINC000829821573 633798928 /nfs/dbraw/zinc/79/89/28/633798928.db2.gz VUUPVQRTUPMCQC-MRVPVSSYSA-N -1 1 273.245 3.269 20 0 CGADMM C[C@H](c1ccncc1)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871958900 633927986 /nfs/dbraw/zinc/92/79/86/633927986.db2.gz HLUVCSBGHYEKIS-DGCLKSJQSA-N -1 1 271.364 3.167 20 0 CGADMM CCCc1c(C)[n-]n(C[C@@H]2CCCC2(F)F)c1=O ZINC000871962560 633929756 /nfs/dbraw/zinc/92/97/56/633929756.db2.gz DQWSHVDSJHQDDK-WDEREUQCSA-N -1 1 258.312 3.056 20 0 CGADMM O=C(NCCC[C@@H]1C=CCC1)c1ccc([O-])c(F)c1 ZINC000834327131 634143676 /nfs/dbraw/zinc/14/36/76/634143676.db2.gz PVEOTRBPRTYGHL-LLVKDONJSA-N -1 1 263.312 3.008 20 0 CGADMM CS[C@@H](C)CCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825321 634248690 /nfs/dbraw/zinc/24/86/90/634248690.db2.gz JSOVSHWWNZJIBA-VIFPVBQESA-N -1 1 287.812 3.194 20 0 CGADMM CC(C)OC1(C(=O)NCc2ccc([O-])c(Cl)c2)CCC1 ZINC000834833863 634253260 /nfs/dbraw/zinc/25/32/60/634253260.db2.gz ODZGDIPPAZLODO-UHFFFAOYSA-N -1 1 297.782 3.010 20 0 CGADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@@H](C)[C@H]1C ZINC000841459739 635179431 /nfs/dbraw/zinc/17/94/31/635179431.db2.gz FMWSQIKUGLZHCI-UTLUCORTSA-N -1 1 267.756 3.162 20 0 CGADMM CC1(C)CO[C@H](CCC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000879184351 635721651 /nfs/dbraw/zinc/72/16/51/635721651.db2.gz ZHCBKXFGNHRLBM-LLVKDONJSA-N -1 1 281.327 3.065 20 0 CGADMM O=C(Nc1ccc(O)c(Cl)c1)c1cc(F)ccc1[O-] ZINC000128693482 636062358 /nfs/dbraw/zinc/06/23/58/636062358.db2.gz YCWXXUVZBKYIEP-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM CCc1nc(S[C@@H](C)c2ccc(F)nc2)[n-]c(=O)c1C ZINC000882176813 636279389 /nfs/dbraw/zinc/27/93/89/636279389.db2.gz ACDACSMIQLOHNA-VIFPVBQESA-N -1 1 293.367 3.440 20 0 CGADMM O=C1Nc2ccc(F)cc2/C1=C\c1cc(F)c([O-])c(F)c1 ZINC000131212984 636583243 /nfs/dbraw/zinc/58/32/43/636583243.db2.gz DVBOXBFNQZVBTR-XCVCLJGOSA-N -1 1 291.228 3.302 20 0 CGADMM O=C(CCC(F)(F)F)Nc1cc(F)c([O-])cc1Cl ZINC000885676928 638038450 /nfs/dbraw/zinc/03/84/50/638038450.db2.gz XCFNGYUSUKCCBT-UHFFFAOYSA-N -1 1 285.624 3.466 20 0 CGADMM CC(=O)CC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCC1 ZINC000885678964 638049928 /nfs/dbraw/zinc/04/99/28/638049928.db2.gz ZODREMLJVKSXJU-UHFFFAOYSA-N -1 1 299.729 3.273 20 0 CGADMM CC(C)(C)C(F)(F)CNC(=O)c1c([O-])cccc1Cl ZINC000856278303 638333819 /nfs/dbraw/zinc/33/38/19/638333819.db2.gz BPTQULVCDJXIRJ-UHFFFAOYSA-N -1 1 291.725 3.457 20 0 CGADMM C[C@@H]1CCN(c2cc(Cl)[n-]c(=O)n2)[C@H]2CCCC[C@@H]12 ZINC000858436502 638717864 /nfs/dbraw/zinc/71/78/64/638717864.db2.gz ILNUDEOPAZQBJX-VWYCJHECSA-N -1 1 281.787 3.241 20 0 CGADMM CCC[C@@H]1[C@H](C)CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858438304 638718673 /nfs/dbraw/zinc/71/86/73/638718673.db2.gz OFRSUMVOORFGNO-NXEZZACHSA-N -1 1 269.776 3.241 20 0 CGADMM CCO[C@@H]1C[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C1(CC)CC ZINC000858437581 638718830 /nfs/dbraw/zinc/71/88/30/638718830.db2.gz GCROVMTXKWDRNB-NXEZZACHSA-N -1 1 299.802 3.231 20 0 CGADMM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000928382165 638878928 /nfs/dbraw/zinc/87/89/28/638878928.db2.gz DPVDKRSUEZBMRN-DYVFJYSZSA-N -1 1 296.370 3.196 20 0 CGADMM O=C(C[C@@H]1CCCC1(F)F)Nc1nc(Cl)ccc1[O-] ZINC000935598547 639832931 /nfs/dbraw/zinc/83/29/31/639832931.db2.gz QOUYOUZMUUYXHQ-ZETCQYMHSA-N -1 1 290.697 3.205 20 0 CGADMM O=C1[N-]C(=S)SC1=Cc1cc(F)ccc1F ZINC000044013042 639951059 /nfs/dbraw/zinc/95/10/59/639951059.db2.gz QEWKRKYLGUETOU-YWEYNIOJSA-N -1 1 257.286 3.294 20 0 CGADMM CCc1ccccc1S(=O)(=O)[N-]c1ccnc(Cl)c1 ZINC000188153224 640122924 /nfs/dbraw/zinc/12/29/24/640122924.db2.gz HGFCNNNBPULRCN-UHFFFAOYSA-N -1 1 296.779 3.098 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C)cc1 ZINC000193499371 640466716 /nfs/dbraw/zinc/46/67/16/640466716.db2.gz KJXJNTVWPXYWKN-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM Cc1ccc2ccc(C(=O)N(C)C(C)(C)C)c([O-])c2n1 ZINC001155652610 805600198 /nfs/dbraw/zinc/60/01/98/805600198.db2.gz AUVGNFCOFQDZKG-UHFFFAOYSA-N -1 1 272.348 3.119 20 0 CGADMM [O-]c1ccc(-c2nccc(C(F)(F)F)n2)cc1F ZINC001250462827 805631711 /nfs/dbraw/zinc/63/17/11/805631711.db2.gz KYEZBMALJKLLFB-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM Fc1c2nc(-c3nccs3)[n-]c2c(F)c(F)c1F ZINC001250495356 805651728 /nfs/dbraw/zinc/65/17/28/805651728.db2.gz IWLOUEMOQSPGJL-UHFFFAOYSA-N -1 1 273.214 3.243 20 0 CGADMM COc1cc2nc(-c3cccc(F)c3[O-])[nH]c2cc1C ZINC001250683985 805754667 /nfs/dbraw/zinc/75/46/67/805754667.db2.gz VIKRHJHAUKQEEW-UHFFFAOYSA-N -1 1 272.279 3.392 20 0 CGADMM [O-]c1cccc(F)c1-c1nc2c(cc(F)c(F)c2F)[nH]1 ZINC001250674752 805755539 /nfs/dbraw/zinc/75/55/39/805755539.db2.gz UUWTYCCQRUXMHK-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM COc1cc2nc(-c3c([O-])cc(F)cc3F)[nH]c2cc1F ZINC001250886385 805792810 /nfs/dbraw/zinc/79/28/10/805792810.db2.gz YTRWSLPTEAJANF-UHFFFAOYSA-N -1 1 294.232 3.361 20 0 CGADMM O=C([O-])c1ccc(-c2nc3ccc(N4CCCC4)cc3[nH]2)o1 ZINC001250923707 805800716 /nfs/dbraw/zinc/80/07/16/805800716.db2.gz YMRNCBIQQQONHB-UHFFFAOYSA-N -1 1 297.314 3.121 20 0 CGADMM Cn1c2cc(F)ccc2nc1-c1c(F)cc([O-])cc1F ZINC001251007328 805824930 /nfs/dbraw/zinc/82/49/30/805824930.db2.gz GZZWKFWRSPQYOG-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM Cn1c2cc(F)ccc2nc1-c1c([O-])ccc(F)c1F ZINC001251322167 805881263 /nfs/dbraw/zinc/88/12/63/805881263.db2.gz OSIVQGNUKXUSDN-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM COc1ccc2c(c1)nc(-c1c(F)ccc([O-])c1F)n2C ZINC001251336022 805884973 /nfs/dbraw/zinc/88/49/73/805884973.db2.gz XVSDTPIRTDIFSD-UHFFFAOYSA-N -1 1 290.269 3.233 20 0 CGADMM CCOc1ccc(Nc2c(F)ccc([O-])c2Cl)c(N)n1 ZINC001159414866 806098105 /nfs/dbraw/zinc/09/81/05/806098105.db2.gz GKEGALFANLWZOK-UHFFFAOYSA-N -1 1 297.717 3.304 20 0 CGADMM Cc1csc([N-]S(=O)(=O)/C=C/c2ccccc2)c1 ZINC001252964042 806140841 /nfs/dbraw/zinc/14/08/41/806140841.db2.gz WQIUMXVDWJRJRM-BQYQJAHWSA-N -1 1 279.386 3.469 20 0 CGADMM O=C([O-])c1ccccc1Nc1ccc2c[nH]nc2c1 ZINC001159663355 806143421 /nfs/dbraw/zinc/14/34/21/806143421.db2.gz XTDGSTASRJZRKW-UHFFFAOYSA-N -1 1 253.261 3.005 20 0 CGADMM COc1cccc(-c2nnc(-c3cc(F)ccc3[O-])o2)c1 ZINC001253342401 806206351 /nfs/dbraw/zinc/20/63/51/806206351.db2.gz IYIYRLJGMGKVAS-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM CCOc1ccc(C(=O)[O-])cc1Nc1ccc2nc[nH]c2c1 ZINC001160223398 806237287 /nfs/dbraw/zinc/23/72/87/806237287.db2.gz GRBLPXZVJGBGIB-UHFFFAOYSA-N -1 1 297.314 3.403 20 0 CGADMM CCCCC[C@H](O)CNc1cc([O-])c(F)c(F)c1 ZINC001253540310 806243307 /nfs/dbraw/zinc/24/33/07/806243307.db2.gz YAVPMCKKAKOICO-JTQLQIEISA-N -1 1 259.296 3.024 20 0 CGADMM CCCN(CCC)C(=O)c1cnc(-c2ccccc2)[n-]c1=O ZINC001160862931 806312627 /nfs/dbraw/zinc/31/26/27/806312627.db2.gz ZIGZEJGGHHPHQH-UHFFFAOYSA-N -1 1 299.374 3.111 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1nnc(C2CC2)o1 ZINC001254120582 806345076 /nfs/dbraw/zinc/34/50/76/806345076.db2.gz YHQZGQLOBWECMN-UHFFFAOYSA-N -1 1 270.210 3.338 20 0 CGADMM Cc1oc(-c2ccccc2)c(C(=O)Nc2c[n-][nH]c2=O)c1C ZINC001161391124 806372690 /nfs/dbraw/zinc/37/26/90/806372690.db2.gz CXLAQAWMWONWQE-UHFFFAOYSA-N -1 1 297.314 3.244 20 0 CGADMM [O-]c1ccc(-c2nnc(Cc3cccc(Cl)c3)o2)nn1 ZINC001254453234 806405327 /nfs/dbraw/zinc/40/53/27/806405327.db2.gz OHLQEGDFGMSUKG-UHFFFAOYSA-N -1 1 288.694 3.037 20 0 CGADMM C[C@H](NC(=O)c1cccc([O-])c1F)[C@H]1CCC[C@H](C)C1 ZINC001161937417 806486115 /nfs/dbraw/zinc/48/61/15/806486115.db2.gz AHFATOPUQGWAIG-SRVKXCTJSA-N -1 1 279.355 3.476 20 0 CGADMM CC(=O)c1csc(C(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001162292010 806549395 /nfs/dbraw/zinc/54/93/95/806549395.db2.gz RPZWVOQDGVUZLZ-UHFFFAOYSA-N -1 1 297.282 3.187 20 0 CGADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000050885405 798896260 /nfs/dbraw/zinc/89/62/60/798896260.db2.gz WIKROVQPOOUAEM-NSHDSACASA-N -1 1 283.318 3.042 20 0 CGADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000164161670 799083180 /nfs/dbraw/zinc/08/31/80/799083180.db2.gz PILLEBCNRVEMRW-NXEZZACHSA-N -1 1 253.317 3.086 20 0 CGADMM O=C(Nc1ccccc1)Nc1cc(F)c([O-])c(F)c1 ZINC000169191898 799087168 /nfs/dbraw/zinc/08/71/68/799087168.db2.gz UAUFWMSDDVYOIT-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM CCCC1(CNC(=O)c2cc(F)ccc2[O-])CCC1 ZINC000392107781 799481026 /nfs/dbraw/zinc/48/10/26/799481026.db2.gz SPMUXIIEPOQBNW-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM O=C(NCC1=CCCC1)c1ccc2ccccc2c1[O-] ZINC000702340779 799908341 /nfs/dbraw/zinc/90/83/41/799908341.db2.gz BFGLCVONSRRFEL-UHFFFAOYSA-N -1 1 267.328 3.386 20 0 CGADMM O=C([O-])C[C@H]1CCCN1Cc1ccsc1C(F)(F)F ZINC000704328213 799935734 /nfs/dbraw/zinc/93/57/34/799935734.db2.gz XAANEJYRQQSCSF-SECBINFHSA-N -1 1 293.310 3.206 20 0 CGADMM Cc1ccc(C[N@H+](C)Cc2cc(C(=O)[O-])cs2)s1 ZINC000711387552 800053449 /nfs/dbraw/zinc/05/34/49/800053449.db2.gz CWJYEBALEBVKBG-UHFFFAOYSA-N -1 1 281.402 3.448 20 0 CGADMM CC1(C(=O)Nc2ccc([O-])c(Cl)c2)CC(F)(F)C1 ZINC000720521690 800260154 /nfs/dbraw/zinc/26/01/54/800260154.db2.gz QDPINIFRGXWIAG-UHFFFAOYSA-N -1 1 275.682 3.420 20 0 CGADMM CC(C)[C@@H](F)c1nc(-c2ccc([O-])cc2F)no1 ZINC000809470259 800439276 /nfs/dbraw/zinc/43/92/76/800439276.db2.gz ZVIFSAIVILIUMP-SNVBAGLBSA-N -1 1 254.236 3.248 20 0 CGADMM CCCCCCc1nnc(-c2ccc(O)cc2[O-])o1 ZINC001256317893 806858964 /nfs/dbraw/zinc/85/89/64/806858964.db2.gz JFCQJPKLKZGVAN-UHFFFAOYSA-N -1 1 262.309 3.271 20 0 CGADMM [S-]c1cc(S)cc(NCCn2cccc2)c1 ZINC001164455102 806949492 /nfs/dbraw/zinc/94/94/92/806949492.db2.gz OZYRFFVSEKOOET-UHFFFAOYSA-N -1 1 250.392 3.178 20 0 CGADMM CC(C)(C)O[N-]C(=O)C1(Cc2cccc(F)c2)CCC1 ZINC001116679547 802395419 /nfs/dbraw/zinc/39/54/19/802395419.db2.gz RGNFSSHPUFLUNG-UHFFFAOYSA-N -1 1 279.355 3.385 20 0 CGADMM CC1(C)CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001119519361 802676084 /nfs/dbraw/zinc/67/60/84/802676084.db2.gz ITEGFLPCGUXTEH-UHFFFAOYSA-N -1 1 285.343 3.266 20 0 CGADMM Cc1cnc(NC(=O)c2ccc3ccccc3c2[O-])o1 ZINC001119971992 802717978 /nfs/dbraw/zinc/71/79/78/802717978.db2.gz ZFAFGZGZUHSUBQ-UHFFFAOYSA-N -1 1 268.272 3.094 20 0 CGADMM [O-]c1cccc(Cl)c1-c1cc(-c2ncc[nH]2)ccn1 ZINC001244033413 803153403 /nfs/dbraw/zinc/15/34/03/803153403.db2.gz CMLJJJVTWYHSGB-UHFFFAOYSA-N -1 1 271.707 3.498 20 0 CGADMM [O-]c1c(F)cc(-c2cc3[nH]cnc3c(F)c2)cc1F ZINC001244096222 803183692 /nfs/dbraw/zinc/18/36/92/803183692.db2.gz LDUPXOMVWILTNX-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM Cn1cnc2cc(-c3cc(F)c([O-])c(F)c3)ccc21 ZINC001244096054 803184402 /nfs/dbraw/zinc/18/44/02/803184402.db2.gz IOQDQFUSIJCOAW-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CCC(=O)Nc1cc(-c2cc(F)c([O-])c(F)c2)ccn1 ZINC001244098534 803186217 /nfs/dbraw/zinc/18/62/17/803186217.db2.gz JUFQIVXAIYMDHC-UHFFFAOYSA-N -1 1 278.258 3.081 20 0 CGADMM Cc1cnc(-c2ccc(OC(F)(F)F)cc2[O-])cn1 ZINC001244464590 803381294 /nfs/dbraw/zinc/38/12/94/803381294.db2.gz TZBLXKIZDHXCDZ-UHFFFAOYSA-N -1 1 270.210 3.056 20 0 CGADMM CC(C)(C)c1ccc(C[N-]C(=O)C(F)(F)C(F)F)o1 ZINC001132340964 803398250 /nfs/dbraw/zinc/39/82/50/803398250.db2.gz FUNGPLHPQHZWTM-UHFFFAOYSA-N -1 1 281.249 3.094 20 0 CGADMM CCNC(=O)c1cccnc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244530893 803422150 /nfs/dbraw/zinc/42/21/50/803422150.db2.gz CLTBASSDHVYEKH-UHFFFAOYSA-N -1 1 290.750 3.166 20 0 CGADMM COCc1nc(C)cc(-c2cc(C)c([O-])c(Cl)c2)n1 ZINC001244537060 803424508 /nfs/dbraw/zinc/42/45/08/803424508.db2.gz ULOUPQKDOOAGDY-UHFFFAOYSA-N -1 1 278.739 3.266 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccc(-n3cccc3)nn2)c1F ZINC001244537997 803424862 /nfs/dbraw/zinc/42/48/62/803424862.db2.gz ILFDXSXTOPTILT-UHFFFAOYSA-N -1 1 289.697 3.432 20 0 CGADMM Cc1cc(-c2cc3nccc-3[n-][nH+]2)cc(Cl)c1[O-] ZINC001244539540 803426386 /nfs/dbraw/zinc/42/63/86/803426386.db2.gz VPSVTKIPAVVFJA-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM COc1nc(C)nc(-c2c(Cl)ccc([O-])c2F)c1C ZINC001244539875 803428523 /nfs/dbraw/zinc/42/85/23/803428523.db2.gz LSKKOURFNBFQEE-UHFFFAOYSA-N -1 1 282.702 3.267 20 0 CGADMM COc1ccnc(-c2c(Cl)ccc([O-])c2F)c1F ZINC001244540039 803428721 /nfs/dbraw/zinc/42/87/21/803428721.db2.gz FYGPSRAFAQCLOR-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM COc1cncc(OC)c1-c1c(Cl)ccc([O-])c1F ZINC001244541607 803429047 /nfs/dbraw/zinc/42/90/47/803429047.db2.gz DKBICNMUTMCKDK-UHFFFAOYSA-N -1 1 283.686 3.264 20 0 CGADMM COC(=O)c1cc(-c2c(Cl)ccc([O-])c2F)cnc1F ZINC001244541717 803429916 /nfs/dbraw/zinc/42/99/16/803429916.db2.gz RQNSBKMEDXETGN-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM COC(=O)c1c(F)cncc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244548164 803432953 /nfs/dbraw/zinc/43/29/53/803432953.db2.gz VBUBJXVMELJAHK-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2cc(C(C)C)on2)on1 ZINC001135190287 803576313 /nfs/dbraw/zinc/57/63/13/803576313.db2.gz HSRFUZUFONQJNT-UHFFFAOYSA-N -1 1 263.297 3.162 20 0 CGADMM COc1nc(C)nc(-c2cc(Cl)ccc2[O-])c1C ZINC001245049525 803622011 /nfs/dbraw/zinc/62/20/11/803622011.db2.gz KXWGBPVRTHLPSZ-UHFFFAOYSA-N -1 1 264.712 3.128 20 0 CGADMM CCN(CCc1ccccc1)C(=O)c1cccc([O-])c1F ZINC001136276392 803638452 /nfs/dbraw/zinc/63/84/52/803638452.db2.gz VKNPZLUSOOCCHU-UHFFFAOYSA-N -1 1 287.334 3.236 20 0 CGADMM Cc1ccccc1[C@H]1CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC001136500186 803645524 /nfs/dbraw/zinc/64/55/24/803645524.db2.gz GPNYAGJWWPSTAY-ZDUSSCGKSA-N -1 1 299.345 3.469 20 0 CGADMM Cc1cc(C)cc(CCNC(=O)c2ccc(F)c([O-])c2)c1 ZINC001136869374 803657210 /nfs/dbraw/zinc/65/72/10/803657210.db2.gz LGJOUIGPENTZBS-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc([O-])cn2)cc1 ZINC001137045008 803674599 /nfs/dbraw/zinc/67/45/99/803674599.db2.gz SXURNXPFTKJMFW-UHFFFAOYSA-N -1 1 298.342 3.268 20 0 CGADMM O=C(Nc1ccc(O)cc1)c1ccc2ccc(O)cc2c1[O-] ZINC001137388150 803728459 /nfs/dbraw/zinc/72/84/59/803728459.db2.gz RHYYFOAMBFYXNJ-UHFFFAOYSA-N -1 1 295.294 3.209 20 0 CGADMM COc1nccc(Nc2ccc(F)c(F)c2[O-])c1Cl ZINC001211955723 814960879 /nfs/dbraw/zinc/96/08/79/814960879.db2.gz QDFQUPZJPHGOHL-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CC[C@@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(F)cc1 ZINC001137753383 803767962 /nfs/dbraw/zinc/76/79/62/803767962.db2.gz KFEKPPCSHVWJAC-CYBMUJFWSA-N -1 1 288.322 3.116 20 0 CGADMM CCn1cnc2c1ncnc2-c1c(F)ccc([O-])c1Cl ZINC001245829977 803983907 /nfs/dbraw/zinc/98/39/07/803983907.db2.gz FKBHTASFBSIFEM-UHFFFAOYSA-N -1 1 292.701 3.011 20 0 CGADMM COC(=O)c1ncc(-c2c(F)ccc([O-])c2Cl)cc1F ZINC001245831472 803986081 /nfs/dbraw/zinc/98/60/81/803986081.db2.gz MQMNYWJPFDTHEW-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM CCOC(=O)c1ncccc1-c1c(F)ccc([O-])c1Cl ZINC001245831471 803986398 /nfs/dbraw/zinc/98/63/98/803986398.db2.gz LBIDGBLPNQHIKP-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM Cn1ccc2nc(-c3c(F)ccc([O-])c3Cl)cnc21 ZINC001245832451 803986749 /nfs/dbraw/zinc/98/67/49/803986749.db2.gz YDPXXLCRBBRYKE-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM O=c1ocnc2ccc(-c3c(F)ccc([O-])c3Cl)cc12 ZINC001245832466 803986895 /nfs/dbraw/zinc/98/68/95/803986895.db2.gz YSHBRFXBOHQRPR-UHFFFAOYSA-N -1 1 291.665 3.353 20 0 CGADMM O=c1cc(CC2CCCC2)[n-]n1-c1cccc(F)c1 ZINC001245932046 804060201 /nfs/dbraw/zinc/06/02/01/804060201.db2.gz MSIOZBQHUWEGQM-UHFFFAOYSA-N -1 1 260.312 3.450 20 0 CGADMM COc1cc(-n2[n-]c(CC3CC3)cc2=O)ccc1Cl ZINC001245952770 804088512 /nfs/dbraw/zinc/08/85/12/804088512.db2.gz HBRWQNPEKUQACR-UHFFFAOYSA-N -1 1 278.739 3.192 20 0 CGADMM CCc1ccccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001140652578 804484113 /nfs/dbraw/zinc/48/41/13/804484113.db2.gz LFUVOFIBNVRCMB-UHFFFAOYSA-N -1 1 277.270 3.485 20 0 CGADMM [O-]c1ccc(CN2CC(c3ccccc3)C2)c(F)c1F ZINC001140893419 804544679 /nfs/dbraw/zinc/54/46/79/804544679.db2.gz PRSPDVNUFSCUDX-UHFFFAOYSA-N -1 1 275.298 3.270 20 0 CGADMM Nc1ccc(Cl)cc1Nc1ccnc(Cl)c1[O-] ZINC001212431141 815027464 /nfs/dbraw/zinc/02/74/64/815027464.db2.gz OTUKNQYCXIPCPA-UHFFFAOYSA-N -1 1 270.119 3.420 20 0 CGADMM COCc1cccc(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001141831937 804671641 /nfs/dbraw/zinc/67/16/41/804671641.db2.gz ZKSALUHRMVODGH-UHFFFAOYSA-N -1 1 293.269 3.069 20 0 CGADMM Cc1cncc(/C=C\C(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001142542960 804735796 /nfs/dbraw/zinc/73/57/96/804735796.db2.gz XNVCMODQTQRACR-IHWYPQMZSA-N -1 1 290.269 3.026 20 0 CGADMM O=C([N-][C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)C(F)(F)F ZINC001142771320 804767330 /nfs/dbraw/zinc/76/73/30/804767330.db2.gz XQLMXTWWUXZLAV-LOWDOPEQSA-N -1 1 283.293 3.247 20 0 CGADMM COc1ccccc1CN(C)Cc1c(F)cc([O-])cc1F ZINC001144553779 805004279 /nfs/dbraw/zinc/00/42/79/805004279.db2.gz QFIHHHCMELLBAY-UHFFFAOYSA-N -1 1 293.313 3.311 20 0 CGADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1c([O-])cccc1F ZINC001146710003 805082149 /nfs/dbraw/zinc/08/21/49/805082149.db2.gz LNWKNXIVPQYVEU-VXGBXAGGSA-N -1 1 279.355 3.478 20 0 CGADMM Cc1cccc2c1N(C(=O)c1ccc([O-])cc1F)CC2 ZINC001148333736 805175529 /nfs/dbraw/zinc/17/55/29/805175529.db2.gz ADFHELKYLNEHCT-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM O=C(Nc1cc[nH]n1)c1cccc(-c2ccccc2)c1[O-] ZINC001148861096 805213005 /nfs/dbraw/zinc/21/30/05/805213005.db2.gz LBOIPUVXCIFXOO-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM [O-]c1c(F)cc(CCOc2ccccc2)cc1F ZINC001249935328 805315416 /nfs/dbraw/zinc/31/54/16/805315416.db2.gz KLQVRISYMWKBIX-UHFFFAOYSA-N -1 1 250.244 3.292 20 0 CGADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2F)c(C)n1 ZINC001249958684 805323794 /nfs/dbraw/zinc/32/37/94/805323794.db2.gz PSFXTGNEPOGPLH-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM COC(=O)c1ccccc1Nc1cc([O-])c(F)c(F)c1F ZINC001249962382 805328695 /nfs/dbraw/zinc/32/86/95/805328695.db2.gz FKALLZMZOKVRRZ-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM Nc1ccc2c(ccn2-c2cc([O-])c(F)c(F)c2F)c1 ZINC001249962279 805329515 /nfs/dbraw/zinc/32/95/15/805329515.db2.gz JIIFVBTZTSSGIQ-UHFFFAOYSA-N -1 1 278.233 3.336 20 0 CGADMM CC(=O)c1cc(Nc2cc([O-])c(F)c(F)c2F)ccc1O ZINC001249965140 805333662 /nfs/dbraw/zinc/33/36/62/805333662.db2.gz XKHJLVMHGYJWIU-UHFFFAOYSA-N -1 1 297.232 3.461 20 0 CGADMM [O-]c1cc(F)c(Nc2noc3cccnc32)cc1Cl ZINC001250019134 805369505 /nfs/dbraw/zinc/36/95/05/805369505.db2.gz YPYYAUNDHFJGJF-UHFFFAOYSA-N -1 1 279.658 3.465 20 0 CGADMM Cc1cnn2cc(Nc3cc(Cl)c([O-])cc3F)cnc12 ZINC001250019807 805370858 /nfs/dbraw/zinc/37/08/58/805370858.db2.gz GQCMZJGASBBQOS-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM Cn1cnc2cc(Nc3cc(Cl)c([O-])cc3F)cnc21 ZINC001250021045 805371090 /nfs/dbraw/zinc/37/10/90/805371090.db2.gz XFNMZQLZDZRATB-UHFFFAOYSA-N -1 1 292.701 3.210 20 0 CGADMM CCc1nccnc1Nc1cc(Cl)c([O-])cc1F ZINC001250020542 805371292 /nfs/dbraw/zinc/37/12/92/805371292.db2.gz WQIDUHOOXHTDJA-UHFFFAOYSA-N -1 1 267.691 3.281 20 0 CGADMM CCc1cnc(Nc2cc(Cl)c([O-])cc2F)cn1 ZINC001250020671 805371513 /nfs/dbraw/zinc/37/15/13/805371513.db2.gz PFPNWUSANYWGMN-UHFFFAOYSA-N -1 1 267.691 3.281 20 0 CGADMM [O-]c1cc(F)c(Nc2cnc(Cl)cn2)cc1Cl ZINC001250020841 805372130 /nfs/dbraw/zinc/37/21/30/805372130.db2.gz SYKDUJFYMMSKAO-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM CSc1nccc(Nc2cc(Cl)c([O-])cc2F)n1 ZINC001250020310 805372235 /nfs/dbraw/zinc/37/22/35/805372235.db2.gz JVCXFCLBWBTIFZ-UHFFFAOYSA-N -1 1 285.731 3.440 20 0 CGADMM Cc1ccc(N)c2nn(-c3cc(Cl)c([O-])cc3F)cc21 ZINC001250022918 805372971 /nfs/dbraw/zinc/37/29/71/805372971.db2.gz ZAELSWAFHZAFEX-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM C[C@H](O)c1ccnc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250022577 805373673 /nfs/dbraw/zinc/37/36/73/805373673.db2.gz NQFFMCLNFNIWEU-ZETCQYMHSA-N -1 1 282.702 3.377 20 0 CGADMM CCc1ccc([C@@H](C)NC(=O)c2ncc(C)cc2[O-])cc1 ZINC001153218211 805386877 /nfs/dbraw/zinc/38/68/77/805386877.db2.gz VSPKZOWXKHHALO-GFCCVEGCSA-N -1 1 284.359 3.149 20 0 CGADMM CCn1cc(NC(=O)c2c([O-])ccc3ccccc32)cn1 ZINC001153497616 805400164 /nfs/dbraw/zinc/40/01/64/805400164.db2.gz GGUDUWWWNOJIQP-UHFFFAOYSA-N -1 1 281.315 3.014 20 0 CGADMM Cc1ncnc(C)c1Nc1c(F)ccc([O-])c1Cl ZINC001250229472 805507195 /nfs/dbraw/zinc/50/71/95/805507195.db2.gz JUYYGSVUCLJHSK-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM [O-]c1ccc(F)c(Nc2ccc(O)cc2O)c1Cl ZINC001250234530 805509373 /nfs/dbraw/zinc/50/93/73/805509373.db2.gz QRUJSRCSRMQIJD-UHFFFAOYSA-N -1 1 269.659 3.340 20 0 CGADMM COc1ccc(Cc2c(F)cc([O-])cc2F)cc1 ZINC001250285189 805541147 /nfs/dbraw/zinc/54/11/47/805541147.db2.gz JKCFRVHHKGSBSP-UHFFFAOYSA-N -1 1 250.244 3.270 20 0 CGADMM O=C(Nc1ccc(F)c([O-])c1)c1c[nH]c2cc(=O)ccc-2c1 ZINC001155164083 805546863 /nfs/dbraw/zinc/54/68/63/805546863.db2.gz NRRXIYURTHBYLA-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM O=C(Cc1cc(F)c([O-])cc1F)c1cccs1 ZINC001250306442 805556596 /nfs/dbraw/zinc/55/65/96/805556596.db2.gz AERNSCDNPYGVKT-UHFFFAOYSA-N -1 1 254.257 3.157 20 0 CGADMM O=C(NCC1CC(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC001155283960 805567581 /nfs/dbraw/zinc/56/75/81/805567581.db2.gz BHRVFPOFIGGYQS-UHFFFAOYSA-N -1 1 299.345 3.455 20 0 CGADMM C[C@H]1CCCC[C@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001165807534 807020285 /nfs/dbraw/zinc/02/02/85/807020285.db2.gz NFXGZHUYZAOSJP-GXFFZTMASA-N -1 1 251.301 3.062 20 0 CGADMM [O-]c1cnc(Cl)c(-c2nnc(C3CCCC3)o2)c1 ZINC001257572441 807199517 /nfs/dbraw/zinc/19/95/17/807199517.db2.gz TZDMMVDCZBHMCD-UHFFFAOYSA-N -1 1 265.700 3.148 20 0 CGADMM [O-]c1cccnc1-c1nnc(CCCc2ccccc2)o1 ZINC001257742482 807219593 /nfs/dbraw/zinc/21/95/93/807219593.db2.gz KQHVFXVOORYDAQ-UHFFFAOYSA-N -1 1 281.315 3.013 20 0 CGADMM Cc1cc(CO)cc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001212757663 815128059 /nfs/dbraw/zinc/12/80/59/815128059.db2.gz DVWQCWNRLJMBBE-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cn1 ZINC001259162963 807675263 /nfs/dbraw/zinc/67/52/63/807675263.db2.gz MNOKPQZTOQOCKY-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM CC(=O)c1sccc1[N-]S(=O)(=O)C1CCCCC1 ZINC001259808970 807688500 /nfs/dbraw/zinc/68/85/00/807688500.db2.gz BVOWCDDUYUGBGW-UHFFFAOYSA-N -1 1 287.406 3.025 20 0 CGADMM CC[C@@H](C)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001260739291 807702102 /nfs/dbraw/zinc/70/21/02/807702102.db2.gz HJNYUMYEYMAENO-ZCFIWIBFSA-N -1 1 298.191 3.239 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cccc2ncccc21 ZINC001171632567 808109551 /nfs/dbraw/zinc/10/95/51/808109551.db2.gz GEAMHCXPYRPVRK-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM COc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001173807275 808681228 /nfs/dbraw/zinc/68/12/28/808681228.db2.gz ATRXLORULPDOJR-UHFFFAOYSA-N -1 1 281.315 3.330 20 0 CGADMM CC(=O)Nc1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001173977403 808800675 /nfs/dbraw/zinc/80/06/75/808800675.db2.gz RAGJJOABFSIGSG-UHFFFAOYSA-N -1 1 278.258 3.372 20 0 CGADMM [O-]c1c(Nc2ccc3c(c2)NCC3)ccc(F)c1F ZINC001213158786 815247581 /nfs/dbraw/zinc/24/75/81/815247581.db2.gz QSNSFUMWNKEXEK-UHFFFAOYSA-N -1 1 262.259 3.382 20 0 CGADMM CSc1nc(Nc2ccnc(C(C)(C)C)c2)cc(=O)[n-]1 ZINC001213162542 815247970 /nfs/dbraw/zinc/24/79/70/815247970.db2.gz FREDPTHJHMRFGA-UHFFFAOYSA-N -1 1 290.392 3.340 20 0 CGADMM CSc1nc(Nc2ccc3ncsc3c2)cc(=O)[n-]1 ZINC001174364490 808977730 /nfs/dbraw/zinc/97/77/30/808977730.db2.gz XUECFRJHCRUKNW-UHFFFAOYSA-N -1 1 290.373 3.257 20 0 CGADMM COc1cc(Nc2ccnc(Cl)c2[O-])cc(F)c1F ZINC001174582626 809091495 /nfs/dbraw/zinc/09/14/95/809091495.db2.gz ZCUFHUCNPVVTGX-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cccc2ncccc21 ZINC001174906598 809196635 /nfs/dbraw/zinc/19/66/35/809196635.db2.gz QZKAUPLSHLEKAI-UHFFFAOYSA-N -1 1 299.315 3.161 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1Nc1ccc2nccn2c1 ZINC001174982303 809225559 /nfs/dbraw/zinc/22/55/59/809225559.db2.gz YHPLUINTRZGJEZ-UHFFFAOYSA-N -1 1 267.288 3.085 20 0 CGADMM [O-]c1c(F)cc(Nc2cccc3snnc32)cc1F ZINC001213386710 815275481 /nfs/dbraw/zinc/27/54/81/815275481.db2.gz QXEIOPISMYYLKW-UHFFFAOYSA-N -1 1 279.271 3.419 20 0 CGADMM CCOc1cccc(F)c1Nc1cc(=O)[n-]c(SC)n1 ZINC001175223056 809313944 /nfs/dbraw/zinc/31/39/44/809313944.db2.gz ZCNHQKDQEUNOHJ-UHFFFAOYSA-N -1 1 295.339 3.186 20 0 CGADMM Cn1ncc2cc(Nc3ccnc(Cl)c3[O-])ccc21 ZINC001175419418 809397230 /nfs/dbraw/zinc/39/72/30/809397230.db2.gz IJLPXBLNHLINHV-UHFFFAOYSA-N -1 1 274.711 3.071 20 0 CGADMM CCC(C)(C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001290596675 809410937 /nfs/dbraw/zinc/41/09/37/809410937.db2.gz AOHQJWAUGJBROB-UHFFFAOYSA-N -1 1 273.332 3.169 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2ccc([O-])cn2)c2ccccc21 ZINC001296161781 809499577 /nfs/dbraw/zinc/49/95/77/809499577.db2.gz QNJLEDRSCKVYJG-GFCCVEGCSA-N -1 1 282.343 3.331 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1cc2[nH]ccc2cc1C ZINC001296473884 809504914 /nfs/dbraw/zinc/50/49/14/809504914.db2.gz AZDHCPNIHCNDQV-UHFFFAOYSA-N -1 1 296.326 3.443 20 0 CGADMM Cc1cnc(C(=O)NCC[C@@H](C)c2ccccc2)c([O-])c1 ZINC001297070310 809511627 /nfs/dbraw/zinc/51/16/27/809511627.db2.gz BRAWFIODDUPKGV-CYBMUJFWSA-N -1 1 284.359 3.019 20 0 CGADMM Cc1cnc(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC001299249024 809547351 /nfs/dbraw/zinc/54/73/51/809547351.db2.gz MXEMZHNQMFALAU-NEPJUHHUSA-N -1 1 276.380 3.040 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCCCC1(F)F ZINC001299580542 809552061 /nfs/dbraw/zinc/55/20/61/809552061.db2.gz IHVAABMMYIQEGD-QMMMGPOBSA-N -1 1 291.244 3.434 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1cccc(OC)c1Cl ZINC001175893436 809564957 /nfs/dbraw/zinc/56/49/57/809564957.db2.gz FWOAUCPTULAICM-UHFFFAOYSA-N -1 1 296.710 3.257 20 0 CGADMM Cc1cc(Nc2cc3ccc([O-])cc3oc2=O)cc(C)c1N ZINC001175933469 809574220 /nfs/dbraw/zinc/57/42/20/809574220.db2.gz ZLGGNUNAJJSXPT-UHFFFAOYSA-N -1 1 296.326 3.441 20 0 CGADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccns1 ZINC001302039643 809589202 /nfs/dbraw/zinc/58/92/02/809589202.db2.gz NSBFRERFMILETL-JTQLQIEISA-N -1 1 298.367 3.493 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cccc2ccncc21 ZINC001302486131 809595893 /nfs/dbraw/zinc/59/58/93/809595893.db2.gz ORUHWRSOKGZONI-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM [O-]c1cc(Nc2csc(CO)c2)c(F)cc1Cl ZINC001176369592 809680190 /nfs/dbraw/zinc/68/01/90/809680190.db2.gz FDWGSLPXFUOENK-UHFFFAOYSA-N -1 1 273.716 3.482 20 0 CGADMM COc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ncc1C ZINC001176593001 809726074 /nfs/dbraw/zinc/72/60/74/809726074.db2.gz UMDHNLXFUYMFAW-VMPITWQZSA-N -1 1 284.315 3.240 20 0 CGADMM CC(C)(C)c1nnc([N-]c2cc(O)cc(Cl)c2)o1 ZINC001176620740 809732953 /nfs/dbraw/zinc/73/29/53/809732953.db2.gz LLWYIOLXHHFBSB-UHFFFAOYSA-N -1 1 267.716 3.470 20 0 CGADMM Cn1nc2c(c1Nc1c(F)cc(F)c([O-])c1F)CCCC2 ZINC001176664286 809737884 /nfs/dbraw/zinc/73/78/84/809737884.db2.gz SEIIBUQQWZKHBU-UHFFFAOYSA-N -1 1 297.280 3.165 20 0 CGADMM CSc1ncc(Nc2c(F)cc(F)c([O-])c2F)cn1 ZINC001176664645 809738707 /nfs/dbraw/zinc/73/87/07/809738707.db2.gz WGEJUCFFRWHTEX-UHFFFAOYSA-N -1 1 287.266 3.065 20 0 CGADMM O=c1[nH]c2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2o1 ZINC001176671963 809739607 /nfs/dbraw/zinc/73/96/07/809739607.db2.gz PWLMSKNWPNEILI-UHFFFAOYSA-N -1 1 296.204 3.400 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc(F)c(O)c2)c1F ZINC001176671375 809740093 /nfs/dbraw/zinc/74/00/93/809740093.db2.gz BOKOEFUISSLQFS-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM COc1c(O)cccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671652 809740126 /nfs/dbraw/zinc/74/01/26/809740126.db2.gz ATIVOVKAQPBJNV-UHFFFAOYSA-N -1 1 285.221 3.267 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC001176988893 809773175 /nfs/dbraw/zinc/77/31/75/809773175.db2.gz UEBIVMJLFLFGDP-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM Cc1cc(F)ccc1[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC001177315888 809793247 /nfs/dbraw/zinc/79/32/47/809793247.db2.gz QNJOOUCTIKWLDH-SNVBAGLBSA-N -1 1 291.297 3.470 20 0 CGADMM [O-]c1ccc(CNc2cccc(CCCO)c2)c(F)c1F ZINC001180778697 810022131 /nfs/dbraw/zinc/02/21/31/810022131.db2.gz GYUFMDOZOCSNBK-UHFFFAOYSA-N -1 1 293.313 3.207 20 0 CGADMM CCC1(CC)C[C@@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001181888822 810080808 /nfs/dbraw/zinc/08/08/08/810080808.db2.gz YRQXKBVKQFGELG-CQSZACIVSA-N -1 1 299.374 3.343 20 0 CGADMM O=C(Nc1c[n-][nH]c1=O)c1sccc1-c1ccccc1 ZINC001183550988 810152213 /nfs/dbraw/zinc/15/22/13/810152213.db2.gz UZIDWTYFJOUYSO-UHFFFAOYSA-N -1 1 285.328 3.096 20 0 CGADMM C[C@@H](NC(=O)Nc1cc(Cl)ncc1[O-])c1ccccc1 ZINC001184986052 810227801 /nfs/dbraw/zinc/22/78/01/810227801.db2.gz RISDVRSLSXPMOL-SECBINFHSA-N -1 1 291.738 3.323 20 0 CGADMM Cc1ccc(CNC(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001185409537 810262346 /nfs/dbraw/zinc/26/23/46/810262346.db2.gz JQSXSQREBKAILC-UHFFFAOYSA-N -1 1 292.285 3.301 20 0 CGADMM O=C(Nc1cccnc1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001185694814 810285586 /nfs/dbraw/zinc/28/55/86/810285586.db2.gz JACJSUDGYLKBPY-UHFFFAOYSA-N -1 1 297.236 3.450 20 0 CGADMM CCCC1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC001186218107 810321389 /nfs/dbraw/zinc/32/13/89/810321389.db2.gz DQAAVKCKHAAPDN-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM Cc1nc2c(NC(=O)c3ccc([O-])c(F)c3)cccn2c1C ZINC001186209050 810321770 /nfs/dbraw/zinc/32/17/70/810321770.db2.gz NWZAIWHHNUDNKG-UHFFFAOYSA-N -1 1 299.305 3.048 20 0 CGADMM CCc1ccc(NC(=O)c2ccc([O-])cc2F)c(O)c1 ZINC001186328740 810328924 /nfs/dbraw/zinc/32/89/24/810328924.db2.gz GQTINWYBODBLBP-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM COC(=O)c1c(F)cccc1Nc1ccc(F)c(F)c1[O-] ZINC001214055581 815361789 /nfs/dbraw/zinc/36/17/89/815361789.db2.gz RAKOQOFGDWRSIT-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM O=C(NCC1CCCCC1)Nc1ccc(F)cc1[O-] ZINC001186876207 810368634 /nfs/dbraw/zinc/36/86/34/810368634.db2.gz XXEJHTQBFVXQGU-UHFFFAOYSA-N -1 1 266.316 3.233 20 0 CGADMM CSc1ccc(NC(=O)Nc2ncccc2[O-])cc1 ZINC001188075819 810450717 /nfs/dbraw/zinc/45/07/17/810450717.db2.gz POTINLZHBWYEAX-UHFFFAOYSA-N -1 1 275.333 3.153 20 0 CGADMM O=C(Nc1ccccc1[S-])c1cc(-c2ccccn2)n[nH]1 ZINC001189472603 810572685 /nfs/dbraw/zinc/57/26/85/810572685.db2.gz CLPSKQAWQDKZNJ-UHFFFAOYSA-N -1 1 296.355 3.013 20 0 CGADMM Cc1cccc(CNC(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001190994851 810662285 /nfs/dbraw/zinc/66/22/85/810662285.db2.gz NYKYSGMDCFUSFA-UHFFFAOYSA-N -1 1 292.285 3.301 20 0 CGADMM O=C(NCCCc1ccccc1)Nc1ccc(F)cc1[O-] ZINC001191199577 810688229 /nfs/dbraw/zinc/68/82/29/810688229.db2.gz BSXPGVFJVLBSIS-UHFFFAOYSA-N -1 1 288.322 3.286 20 0 CGADMM O=S(=O)(CC1CCCC1)[N-]c1nccc2ccccc21 ZINC001191476005 810716829 /nfs/dbraw/zinc/71/68/29/810716829.db2.gz CFWPTRBWVKVSGX-UHFFFAOYSA-N -1 1 290.388 3.167 20 0 CGADMM Cc1ccc(O)cc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001214355115 815400095 /nfs/dbraw/zinc/40/00/95/815400095.db2.gz QBTQDXAFLABZFM-UHFFFAOYSA-N -1 1 281.315 3.336 20 0 CGADMM O=c1ccc(Nc2cc(F)c([O-])c(Cl)c2)c[nH]1 ZINC001214480180 815415264 /nfs/dbraw/zinc/41/52/64/815415264.db2.gz NNQHMZWGYMRZBF-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM Nc1cccc2cn(-c3cc(F)c([O-])c(Cl)c3)nc21 ZINC001214488780 815417544 /nfs/dbraw/zinc/41/75/44/815417544.db2.gz LPZMCQRDKZSKAV-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM C=Cc1ccc(CNC(=O)c2cc([O-])cnc2Cl)cc1 ZINC001195312405 811240803 /nfs/dbraw/zinc/24/08/03/811240803.db2.gz FTNFKDXIPXBYLG-UHFFFAOYSA-N -1 1 288.734 3.014 20 0 CGADMM O=C(Nc1ccc2ccncc2c1)c1cc([O-])cnc1Cl ZINC001195308361 811241093 /nfs/dbraw/zinc/24/10/93/811241093.db2.gz BZTBYNXARIMKLQ-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccccc1C(F)F ZINC001195482375 811260461 /nfs/dbraw/zinc/26/04/61/811260461.db2.gz JLEWJAMJDSUXJX-UHFFFAOYSA-N -1 1 274.292 3.067 20 0 CGADMM Cc1cnc([C@@H]([NH2+]Cc2nc(C)ccc2O)C2CC2)s1 ZINC001200802835 811746652 /nfs/dbraw/zinc/74/66/52/811746652.db2.gz KKMYEQGFFLTZJG-AWEZNQCLSA-N -1 1 289.404 3.101 20 0 CGADMM CC(C)(C)NC(=S)Nc1cccc(C(F)(F)F)c1[O-] ZINC001200914001 811764739 /nfs/dbraw/zinc/76/47/39/811764739.db2.gz OTNIVUAGVYWMEZ-UHFFFAOYSA-N -1 1 292.326 3.496 20 0 CGADMM CC(C)(C)NC(=S)Nc1cccc([O-])c1Cl ZINC001200910053 811765018 /nfs/dbraw/zinc/76/50/18/811765018.db2.gz ZAMJPPUULZBJOX-UHFFFAOYSA-N -1 1 258.774 3.131 20 0 CGADMM CCCNC(=O)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001202594789 812131676 /nfs/dbraw/zinc/13/16/76/812131676.db2.gz QYFCZGUBTMGFOV-UHFFFAOYSA-N -1 1 263.124 3.231 20 0 CGADMM Cc1ccc(-c2noc(-c3ccc(O)cc3[O-])n2)c(F)c1 ZINC001215296878 815504541 /nfs/dbraw/zinc/50/45/41/815504541.db2.gz AZPKUJLBMDHICV-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM COCc1cc(C)c(-n2[n-]c(=O)c3ccc(N)cc32)c(C)c1 ZINC001215532468 815531008 /nfs/dbraw/zinc/53/10/08/815531008.db2.gz HEUOSGITBCWTAB-UHFFFAOYSA-N -1 1 297.358 3.077 20 0 CGADMM O=C([O-])c1ccc(Nc2cc3[nH]ncc3c(F)c2)cc1 ZINC001215555102 815533120 /nfs/dbraw/zinc/53/31/20/815533120.db2.gz BQUACERBWJGRLM-UHFFFAOYSA-N -1 1 271.251 3.144 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(OC3COC3)cc2)cc1F ZINC001215574236 815538866 /nfs/dbraw/zinc/53/88/66/815538866.db2.gz NHXJKZPLSJAXQK-UHFFFAOYSA-N -1 1 293.269 3.192 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3nnsc3c2)cc1F ZINC001215576395 815539592 /nfs/dbraw/zinc/53/95/92/815539592.db2.gz YUATYEZTKJSVNQ-UHFFFAOYSA-N -1 1 279.271 3.419 20 0 CGADMM CCOc1ccc([N-]c2nnc(-c3ccco3)o2)c(C)n1 ZINC001215577344 815540559 /nfs/dbraw/zinc/54/05/59/815540559.db2.gz XEYHCTWMCQWPDI-UHFFFAOYSA-N -1 1 286.291 3.175 20 0 CGADMM CC(=O)c1ccc(Nc2c([O-])cc(F)cc2F)cn1 ZINC001210275666 814374872 /nfs/dbraw/zinc/37/48/72/814374872.db2.gz INDMLKSPUUCMPE-UHFFFAOYSA-N -1 1 264.231 3.012 20 0 CGADMM [O-]c1cc(Nc2cnn(C(F)(F)F)c2)cc(F)c1F ZINC001210362159 814422018 /nfs/dbraw/zinc/42/20/18/814422018.db2.gz LHXRFIHAELUOPI-UHFFFAOYSA-N -1 1 279.168 3.087 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cccnc1OC(F)F ZINC001210629033 814563207 /nfs/dbraw/zinc/56/32/07/814563207.db2.gz NXZBXIBFQFDFQP-UHFFFAOYSA-N -1 1 288.200 3.410 20 0 CGADMM CCOc1cncc(Nc2c([O-])cc(F)cc2F)c1 ZINC001210665809 814577720 /nfs/dbraw/zinc/57/77/20/814577720.db2.gz MGSGHOYVNQQJSG-UHFFFAOYSA-N -1 1 266.247 3.208 20 0 CGADMM COC(=O)c1ccc(C)nc1-c1cccc([O-])c1Cl ZINC001242799126 823135914 /nfs/dbraw/zinc/13/59/14/823135914.db2.gz VMKLGATWSKZKRV-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CC(=O)Nc1ccnc(-c2cccc([O-])c2Cl)c1 ZINC001242798384 823135876 /nfs/dbraw/zinc/13/58/76/823135876.db2.gz USYKQGKVCLKLTN-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM [O-]c1c(Cl)cc(Cl)cc1Nc1ccncn1 ZINC001211029823 814712150 /nfs/dbraw/zinc/71/21/50/814712150.db2.gz FVSPQSALBVHMGV-UHFFFAOYSA-N -1 1 256.092 3.233 20 0 CGADMM [O-]c1cccc(-c2ccc(Cn3cncn3)cc2)c1Cl ZINC001242799455 823136447 /nfs/dbraw/zinc/13/64/47/823136447.db2.gz LQMQETVIPJMCKO-UHFFFAOYSA-N -1 1 285.734 3.352 20 0 CGADMM CCCNC(=O)c1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242800623 823136523 /nfs/dbraw/zinc/13/65/23/823136523.db2.gz JJCHWCFWBOVDFN-UHFFFAOYSA-N -1 1 290.750 3.247 20 0 CGADMM Cc1c(CO)cccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001211163307 814838546 /nfs/dbraw/zinc/83/85/46/814838546.db2.gz ISQAPVMTBXZEDA-UHFFFAOYSA-N -1 1 297.310 3.043 20 0 CGADMM CCOC(=O)Cc1cccc(-c2cccc([O-])c2Cl)n1 ZINC001242801722 823137555 /nfs/dbraw/zinc/13/75/55/823137555.db2.gz FGBKPVCEDCDORA-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cnccc1Cl ZINC001211213049 814850733 /nfs/dbraw/zinc/85/07/33/814850733.db2.gz GIWFOQXJHUMQLX-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM CC(=O)N1CCc2cc(-c3cc(F)c([O-])cc3F)ccc21 ZINC001211339968 814882472 /nfs/dbraw/zinc/88/24/72/814882472.db2.gz QVMQLZZOCGEGJO-UHFFFAOYSA-N -1 1 289.281 3.246 20 0 CGADMM Cc1cn2cc(-c3cc(F)c([O-])cc3F)ccc2n1 ZINC001211350535 814883472 /nfs/dbraw/zinc/88/34/72/814883472.db2.gz RXVUQMRCXHNZLJ-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3cncnc32)cc1F ZINC001211349762 814883544 /nfs/dbraw/zinc/88/35/44/814883544.db2.gz GENCFAXQMSWPBN-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cccc(CO)c1F ZINC001211437733 814891964 /nfs/dbraw/zinc/89/19/64/814891964.db2.gz NMIBPFMRJIQERQ-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc(CO)c2F)cc1F ZINC001211442487 814892534 /nfs/dbraw/zinc/89/25/34/814892534.db2.gz ZRJJLPBSHHISPO-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM [O-]c1c(Cl)cc(-c2nc(F)nc3nc[nH]c32)cc1Cl ZINC001242848858 823152199 /nfs/dbraw/zinc/15/21/99/823152199.db2.gz GXQWLEWLRCWNHL-UHFFFAOYSA-N -1 1 299.092 3.123 20 0 CGADMM [O-]c1c(-c2nc(-c3ccccn3)no2)ccc2cccnc21 ZINC001217142702 815911697 /nfs/dbraw/zinc/91/16/97/815911697.db2.gz KQENRAAUFMOLFV-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM CCOC(=O)c1cc(-c2cc(F)c([O-])cc2F)cnc1F ZINC001222083209 816343828 /nfs/dbraw/zinc/34/38/28/816343828.db2.gz TXNUGXMBAORMAT-UHFFFAOYSA-N -1 1 297.232 3.048 20 0 CGADMM CCCCC[C@H](OCc1nn[n-]n1)[C@@H](C)CCC ZINC001223027344 816554170 /nfs/dbraw/zinc/55/41/70/816554170.db2.gz OFBNGGQMVPWIJD-RYUDHWBXSA-N -1 1 254.378 3.101 20 0 CGADMM C[C@@H](OCC[P@](=O)([O-])O)c1cc(Cl)ccc1Cl ZINC001224600864 816831148 /nfs/dbraw/zinc/83/11/48/816831148.db2.gz AXSFPIPHTCADKC-SSDOTTSWSA-N -1 1 299.090 3.249 20 0 CGADMM CN(C)c1nc(-c2ccc(F)c([O-])c2)nc2ccccc21 ZINC001243049154 823225537 /nfs/dbraw/zinc/22/55/37/823225537.db2.gz QCGURFFZCAQMNS-UHFFFAOYSA-N -1 1 283.306 3.208 20 0 CGADMM CCCC/C=C/[C@@H](C)OCCCC[P@](=O)([O-])O ZINC001225018795 816932202 /nfs/dbraw/zinc/93/22/02/816932202.db2.gz HSFKYEICBFFALT-UVMWJGKXSA-N -1 1 264.302 3.096 20 0 CGADMM CC(C)=CCC[C@H](C)OCCCC[P@](=O)([O-])O ZINC001225019177 816933723 /nfs/dbraw/zinc/93/37/23/816933723.db2.gz UHXQHMAJNQAYAO-LBPRGKRZSA-N -1 1 264.302 3.096 20 0 CGADMM Cc1ccc([C@H](C)OCCCC[P@](=O)([O-])O)c(C)c1 ZINC001225019066 816934993 /nfs/dbraw/zinc/93/49/93/816934993.db2.gz PZTTYUIBQAHLMC-ZDUSSCGKSA-N -1 1 286.308 3.339 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1OC1CCCCCC1 ZINC001225674128 817137329 /nfs/dbraw/zinc/13/73/29/817137329.db2.gz CJYBFIWZDYWOSN-UHFFFAOYSA-N -1 1 264.321 3.402 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H](C)c1cccc(C)c1 ZINC001226246249 817310461 /nfs/dbraw/zinc/31/04/61/817310461.db2.gz NXCVLFCXNVWZOU-JTQLQIEISA-N -1 1 276.361 3.222 20 0 CGADMM CCC[C@@H](Oc1cnc[n-]c1=O)C1CCCCC1 ZINC001227049491 817543000 /nfs/dbraw/zinc/54/30/00/817543000.db2.gz VMFNRBBKFGRUTL-GFCCVEGCSA-N -1 1 250.342 3.310 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H](C)CCC(C)C ZINC001227168770 817578431 /nfs/dbraw/zinc/57/84/31/817578431.db2.gz NHKCZFQCFOVITF-LBPRGKRZSA-N -1 1 280.364 3.425 20 0 CGADMM Fc1cnc(=S)[n-]c1O[C@@H]1CCCc2ccccc21 ZINC001227382105 817635363 /nfs/dbraw/zinc/63/53/63/817635363.db2.gz AHRLZQGBDGMMCS-GFCCVEGCSA-N -1 1 276.336 3.361 20 0 CGADMM Cc1ccccc1[C@@H](C)Oc1[n-]c(=S)ncc1F ZINC001227382870 817635693 /nfs/dbraw/zinc/63/56/93/817635693.db2.gz HDIHDSLKLXZOTF-SECBINFHSA-N -1 1 264.325 3.353 20 0 CGADMM C[C@H](Oc1[n-]c(=S)nc2cnccc21)c1cccnc1 ZINC001227881910 817742142 /nfs/dbraw/zinc/74/21/42/817742142.db2.gz RKQKBGYGCQXITC-VIFPVBQESA-N -1 1 284.344 3.222 20 0 CGADMM COc1cc2[nH]cnc2cc1-c1ccc(C(=O)[O-])c(C)c1 ZINC001243214883 823295844 /nfs/dbraw/zinc/29/58/44/823295844.db2.gz JTZZHIVUOFUAEP-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001228556440 817938084 /nfs/dbraw/zinc/93/80/84/817938084.db2.gz OYRFUYAQWMFMJL-ISTVAULSSA-N -1 1 276.332 3.258 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1OC[C@@H]1CCC(C)(C)O1 ZINC001228560245 817939244 /nfs/dbraw/zinc/93/92/44/817939244.db2.gz MDBFYYGJOUDFGB-NSHDSACASA-N -1 1 294.347 3.027 20 0 CGADMM C[C@H]1CC[C@@H](Oc2cccnc2-c2ncccc2[O-])C1 ZINC001231200244 818055806 /nfs/dbraw/zinc/05/58/06/818055806.db2.gz KPPROBCPAXZCIZ-NWDGAFQWSA-N -1 1 270.332 3.417 20 0 CGADMM COC1=CC[C@H](Oc2cccnc2-c2ncccc2[O-])CC1 ZINC001231204110 818057157 /nfs/dbraw/zinc/05/71/57/818057157.db2.gz NUHRWGLJAZXGPK-ZDUSSCGKSA-N -1 1 298.342 3.311 20 0 CGADMM COC[C@H](C)Oc1ccccc1C(=O)c1ccc([O-])cc1 ZINC001231230696 818062377 /nfs/dbraw/zinc/06/23/77/818062377.db2.gz OTIDXKHGUXNDSW-LBPRGKRZSA-N -1 1 286.327 3.037 20 0 CGADMM [O-]c1cc(CN2CCC(F)(F)CC2)ccc1Cl ZINC001231732762 818161114 /nfs/dbraw/zinc/16/11/14/818161114.db2.gz FHCMGYIFXIQNQO-UHFFFAOYSA-N -1 1 261.699 3.277 20 0 CGADMM [O-]c1cc(CN2CCCC[C@@H](F)C2)ccc1Cl ZINC001231730530 818161621 /nfs/dbraw/zinc/16/16/21/818161621.db2.gz BOIGSQJFPJOMCO-LLVKDONJSA-N -1 1 257.736 3.370 20 0 CGADMM Oc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)ccc1Cl ZINC001231730746 818162350 /nfs/dbraw/zinc/16/23/50/818162350.db2.gz FRSFCRHDZPWDJJ-SWLSCSKDSA-N -1 1 281.783 3.047 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@@H](F)C(F)(F)C2)c1F ZINC001232931656 818475296 /nfs/dbraw/zinc/47/52/96/818475296.db2.gz QLWINXUUFDEAAB-SNVBAGLBSA-N -1 1 295.251 3.240 20 0 CGADMM COc1ccc2c(c1)CN(Cc1ccc(F)c([O-])c1F)C2 ZINC001232935247 818477999 /nfs/dbraw/zinc/47/79/99/818477999.db2.gz OOTISHDJTBOBFA-UHFFFAOYSA-N -1 1 291.297 3.195 20 0 CGADMM [O-]c1cc(CN2CCC[C@H]2c2ccncc2)cc(F)c1F ZINC001232970537 818486715 /nfs/dbraw/zinc/48/67/15/818486715.db2.gz GAPPNCFNNUFGLA-AWEZNQCLSA-N -1 1 290.313 3.403 20 0 CGADMM [O-]c1cc(CN2CCC[C@@H](C(F)F)C2)cc(F)c1F ZINC001232973173 818486998 /nfs/dbraw/zinc/48/69/98/818486998.db2.gz PPJYHFXJGYZIAH-SECBINFHSA-N -1 1 277.261 3.148 20 0 CGADMM Cc1ncccc1CN(C)Cc1cc([O-])c(F)c(F)c1 ZINC001232973947 818490273 /nfs/dbraw/zinc/49/02/73/818490273.db2.gz OLKJQXMJZWLKTE-UHFFFAOYSA-N -1 1 278.302 3.006 20 0 CGADMM F[C@@H]1CSC2(CN(Cc3ccc([S-])cc3)C2)C1 ZINC001233262267 818561018 /nfs/dbraw/zinc/56/10/18/818561018.db2.gz YKZIVDLJMBFJCW-NSHDSACASA-N -1 1 269.410 3.005 20 0 CGADMM COc1ncc(-c2ccc([O-])c(F)c2F)c2cc[nH]c21 ZINC001243341626 823355201 /nfs/dbraw/zinc/35/52/01/823355201.db2.gz AWDRQYVROLTENA-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM COc1cc(C)cc(-c2ccc([O-])c(F)c2F)n1 ZINC001243340960 823354763 /nfs/dbraw/zinc/35/47/63/823354763.db2.gz AIFXBVBXXOFDEY-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM [O-]c1ccc(-c2ccc3c(c2)NCCO3)c(F)c1F ZINC001243342056 823355572 /nfs/dbraw/zinc/35/55/72/823355572.db2.gz HYOWSMGZWOSXAH-UHFFFAOYSA-N -1 1 263.243 3.142 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](CC)C(=O)OCC ZINC001233649910 818670285 /nfs/dbraw/zinc/67/02/85/818670285.db2.gz FVGMOMHKJXTGDC-AWEZNQCLSA-N -1 1 294.347 3.096 20 0 CGADMM [O-]c1ccc(-c2ccc3c(c2)[C@@H](O)CCO3)c(F)c1F ZINC001243342532 823357609 /nfs/dbraw/zinc/35/76/09/823357609.db2.gz HPQBKEUIGODURT-NSHDSACASA-N -1 1 278.254 3.153 20 0 CGADMM Cn1ccc2cc(-c3ccc([O-])c(F)c3F)cnc21 ZINC001243342336 823357728 /nfs/dbraw/zinc/35/77/28/823357728.db2.gz HIPDNCGJKLYCRF-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM COCc1cc(OC)ccc1-c1ccc([O-])c(F)c1F ZINC001243344123 823358627 /nfs/dbraw/zinc/35/86/27/823358627.db2.gz XZTDWYQNQYPFKD-UHFFFAOYSA-N -1 1 280.270 3.492 20 0 CGADMM CN1Cc2cccc(-c3ccc([O-])c(F)c3F)c2NC1=O ZINC001243344953 823359951 /nfs/dbraw/zinc/35/99/51/823359951.db2.gz KEHSSSLNNZIHHD-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM CC/C=C(\C)[C@@H](CC)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234606488 818889920 /nfs/dbraw/zinc/88/99/20/818889920.db2.gz DCTVUEOHNRXECD-YPUOHESYSA-N -1 1 297.326 3.227 20 0 CGADMM O=C([O-])c1c(Cl)ccc(-c2ccc3cncn3c2)c1F ZINC001236152537 819347607 /nfs/dbraw/zinc/34/76/07/819347607.db2.gz KIUREOZMQHAWRE-UHFFFAOYSA-N -1 1 290.681 3.492 20 0 CGADMM Cc1ccc(F)c(-c2cnc3ccccc3n2)c1[O-] ZINC001236391278 819447019 /nfs/dbraw/zinc/44/70/19/819447019.db2.gz MEWPJHPFWYKWMU-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM Cc1ccc(F)c(-c2ccnc(C(F)(F)F)n2)c1[O-] ZINC001236394745 819449780 /nfs/dbraw/zinc/44/97/80/819449780.db2.gz ZWKXWRFWIDXTRM-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM CCOC(=O)Cc1ccnc(-c2c(F)ccc(C)c2[O-])c1 ZINC001236402844 819452179 /nfs/dbraw/zinc/45/21/79/819452179.db2.gz OMIKAYMWOLEJGT-UHFFFAOYSA-N -1 1 289.306 3.007 20 0 CGADMM COC(=O)c1ccc(F)c(-c2cc(F)cc(F)c2[O-])c1 ZINC001243502944 823421436 /nfs/dbraw/zinc/42/14/36/823421436.db2.gz CASWUSUCYBEKFH-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM Cc1c(-c2cc(F)cc(F)c2[O-])ccc2nccn21 ZINC001243506800 823424620 /nfs/dbraw/zinc/42/46/20/823424620.db2.gz KWYZAJUVLMVJKK-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM CSc1ncc(-c2cc(F)cc(F)c2[O-])c(C)n1 ZINC001243506692 823424645 /nfs/dbraw/zinc/42/46/45/823424645.db2.gz JEPOUVVYCZONKI-UHFFFAOYSA-N -1 1 268.288 3.158 20 0 CGADMM COC(=O)c1cccc(-c2cc(F)cc(F)c2[O-])c1OC ZINC001243503240 823422298 /nfs/dbraw/zinc/42/22/98/823422298.db2.gz DZWAIYFNHICCMT-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM CC(C)COc1ncc(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243503914 823422697 /nfs/dbraw/zinc/42/26/97/823422697.db2.gz HLSZJUOEVMRTNR-UHFFFAOYSA-N -1 1 280.274 3.162 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc2cncnc2c1 ZINC001243504585 823423030 /nfs/dbraw/zinc/42/30/30/823423030.db2.gz SBWBZMGIMRWLPT-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1ncc(C)cc1-c1cc(F)cc(F)c1[O-] ZINC001243505750 823423110 /nfs/dbraw/zinc/42/31/10/823423110.db2.gz KPXDBKTVQNESND-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM Cc1cn2c(cccc2-c2cc(F)cc(F)c2[O-])n1 ZINC001243504537 823423500 /nfs/dbraw/zinc/42/35/00/823423500.db2.gz QTRRGDVQZHZNTF-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM Nc1noc2cc(-c3cc(F)cc(F)c3[O-])ccc12 ZINC001243506345 823423928 /nfs/dbraw/zinc/42/39/28/823423928.db2.gz TUPFCKANWCXQAD-UHFFFAOYSA-N -1 1 262.215 3.061 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc2ncncc2c1 ZINC001243502275 823421372 /nfs/dbraw/zinc/42/13/72/823421372.db2.gz JOBSCOKEWHIBJH-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cncc(-c2ncco2)c1 ZINC001243506807 823424602 /nfs/dbraw/zinc/42/46/02/823424602.db2.gz LDOJQCJUPQUHBU-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM [O-]c1cc(F)c(CN2C[C@H]3CC[C@@H]2C3)cc1Cl ZINC001238149246 819943088 /nfs/dbraw/zinc/94/30/88/819943088.db2.gz IJBJLGNLZWGOIA-WCBMZHEXSA-N -1 1 255.720 3.169 20 0 CGADMM O=C([O-])c1cc(F)ccc1CN1CC2(C1)CCCCC2 ZINC001238234349 819966749 /nfs/dbraw/zinc/96/67/49/819966749.db2.gz BKDKODYUFARXTL-UHFFFAOYSA-N -1 1 277.339 3.290 20 0 CGADMM CCOC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)nc1 ZINC001243576847 823450983 /nfs/dbraw/zinc/45/09/83/823450983.db2.gz POHKLRBVJQWBAA-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM [O-]c1cc(-c2ncnc3scnc32)ccc1Cl ZINC001243576500 823451124 /nfs/dbraw/zinc/45/11/24/823451124.db2.gz IJSFYVCSETXFDM-UHFFFAOYSA-N -1 1 263.709 3.112 20 0 CGADMM COC(=O)c1nc(-c2ccc(Cl)c([O-])c2)ccc1C ZINC001243576153 823451346 /nfs/dbraw/zinc/45/13/46/823451346.db2.gz IEIGTTYLLNPLNK-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CCOC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243580393 823453620 /nfs/dbraw/zinc/45/36/20/823453620.db2.gz BZCZDXQHCYGEPR-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM Cc1nc2cccnc2c(-c2ccc(Cl)c([O-])c2)n1 ZINC001243578754 823452960 /nfs/dbraw/zinc/45/29/60/823452960.db2.gz KRFIEBGXDIGYSH-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM [O-]c1cc(-c2cnc(N3CCCC3)cn2)ccc1Cl ZINC001243583483 823455067 /nfs/dbraw/zinc/45/50/67/823455067.db2.gz PBLFQWDAUWZELM-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM O=C([O-])c1ccc(-c2cccc3nc[nH]c32)c(F)c1 ZINC001239253587 820240645 /nfs/dbraw/zinc/24/06/45/820240645.db2.gz ADLMLNCBVNONAH-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM CCc1nccc(-c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001243607941 823465738 /nfs/dbraw/zinc/46/57/38/823465738.db2.gz RXQVGXHRDXWYMV-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(C)nc3C)ccc2[n-]1 ZINC001239458459 820313256 /nfs/dbraw/zinc/31/32/56/820313256.db2.gz YISURMITNTWJJD-UHFFFAOYSA-N -1 1 281.315 3.028 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(C)nc3C)cc2[n-]1 ZINC001239458459 820313265 /nfs/dbraw/zinc/31/32/65/820313265.db2.gz YISURMITNTWJJD-UHFFFAOYSA-N -1 1 281.315 3.028 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cccc(OC)c3)ccc2[n-]1 ZINC001239521366 820369696 /nfs/dbraw/zinc/36/96/96/820369696.db2.gz NFYRVGUBCLYWEJ-UHFFFAOYSA-N -1 1 296.326 3.415 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cccc(OC)c3)cc2[n-]1 ZINC001239521366 820369707 /nfs/dbraw/zinc/36/97/07/820369707.db2.gz NFYRVGUBCLYWEJ-UHFFFAOYSA-N -1 1 296.326 3.415 20 0 CGADMM CC(C)(C)c1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1 ZINC001239607014 820453454 /nfs/dbraw/zinc/45/34/54/820453454.db2.gz NOGJJTCVYYYRQT-UHFFFAOYSA-N -1 1 293.366 3.464 20 0 CGADMM CC(C)c1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001239626251 820471762 /nfs/dbraw/zinc/47/17/62/820471762.db2.gz YPJPPYCKEPQJOZ-UHFFFAOYSA-N -1 1 265.320 3.052 20 0 CGADMM CC(C)c1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001239626251 820471768 /nfs/dbraw/zinc/47/17/68/820471768.db2.gz YPJPPYCKEPQJOZ-UHFFFAOYSA-N -1 1 265.320 3.052 20 0 CGADMM CSc1nc(C)cc(-c2cc(F)ccc2[O-])n1 ZINC001240694858 821251676 /nfs/dbraw/zinc/25/16/76/821251676.db2.gz YKDWXPHWXSDZNS-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM Cc1cc2ncccc2nc1-c1cc(F)ccc1[O-] ZINC001240695731 821252518 /nfs/dbraw/zinc/25/25/18/821252518.db2.gz OXUXAXWBBIFSLS-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM [O-]c1ccc(-c2cnc(C(F)(F)F)cn2)cc1F ZINC001240782561 821322268 /nfs/dbraw/zinc/32/22/68/821322268.db2.gz AHRVJMDVEPRNDE-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM [O-]c1ccc(-c2cnc(-c3ccco3)cn2)cc1F ZINC001240783130 821323609 /nfs/dbraw/zinc/32/36/09/821323609.db2.gz LJCVDDITYDGVCQ-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM CSc1cc(-c2ccc([O-])c(F)c2)nc(SC)n1 ZINC001240786161 821327206 /nfs/dbraw/zinc/32/72/06/821327206.db2.gz OSQAYQBSIHNFJW-UHFFFAOYSA-N -1 1 282.365 3.432 20 0 CGADMM CCCCN(C)c1cncc(-c2ccc([O-])c(F)c2)n1 ZINC001240786125 821327499 /nfs/dbraw/zinc/32/74/99/821327499.db2.gz MSQFNNGJLSQOPH-UHFFFAOYSA-N -1 1 275.327 3.225 20 0 CGADMM [O-]c1cc(F)c(-c2cc(OC(F)F)ccn2)c(F)c1 ZINC001241116933 821571699 /nfs/dbraw/zinc/57/16/99/821571699.db2.gz IEUQRWMOXIVDPL-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM Cc1nc(-c2c(F)cc([O-])cc2F)cc(N2CCCC2)n1 ZINC001241116658 821571907 /nfs/dbraw/zinc/57/19/07/821571907.db2.gz DTHRZWBSYFAMQI-UHFFFAOYSA-N -1 1 291.301 3.036 20 0 CGADMM CSc1nc2c(c(-c3c(F)cc([O-])cc3F)n1)CCC2 ZINC001241118222 821573155 /nfs/dbraw/zinc/57/31/55/821573155.db2.gz OIRMGFAJGPLTLN-UHFFFAOYSA-N -1 1 294.326 3.338 20 0 CGADMM COc1ccc(C)nc1-c1c(F)cc([O-])cc1F ZINC001241118276 821573182 /nfs/dbraw/zinc/57/31/82/821573182.db2.gz PUIOTTUWWALCJT-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM [O-]c1cc(F)c(-c2ncnc3c2CCCCC3)c(F)c1 ZINC001241119387 821574560 /nfs/dbraw/zinc/57/45/60/821574560.db2.gz LDCXTRMTLKNZMY-UHFFFAOYSA-N -1 1 276.286 3.396 20 0 CGADMM [O-]c1cc(F)c(-c2ccnc(N3CCCC3)c2)c(F)c1 ZINC001241122731 821579858 /nfs/dbraw/zinc/57/98/58/821579858.db2.gz XKECGRYKFIWDJC-UHFFFAOYSA-N -1 1 276.286 3.333 20 0 CGADMM COc1ccc(-c2c(F)cc([O-])cc2F)cc1NC(C)=O ZINC001241123265 821580206 /nfs/dbraw/zinc/58/02/06/821580206.db2.gz YLZMLAMSXRSXFS-UHFFFAOYSA-N -1 1 293.269 3.304 20 0 CGADMM [O-]c1cc(F)c(-c2cncc(-c3ncco3)c2)c(F)c1 ZINC001241125023 821581165 /nfs/dbraw/zinc/58/11/65/821581165.db2.gz PNHYEBVPGSRBIR-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CC(C)COc1cnc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241124737 821581771 /nfs/dbraw/zinc/58/17/71/821581771.db2.gz LQQHCLRUMMKEPD-UHFFFAOYSA-N -1 1 280.274 3.162 20 0 CGADMM COc1cc2[nH]cnc2cc1-c1ccc(C(=O)[O-])c(F)c1 ZINC001241186023 821622996 /nfs/dbraw/zinc/62/29/96/821622996.db2.gz VTCAFOOTOXZTAV-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM Nc1cc(-c2c(F)ccc([O-])c2F)ncc1C(F)(F)F ZINC001241289799 821706877 /nfs/dbraw/zinc/70/68/77/821706877.db2.gz ZRSQAKNNTSIERC-UHFFFAOYSA-N -1 1 290.191 3.333 20 0 CGADMM COC(=O)[C@@H](C)c1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241291032 821708140 /nfs/dbraw/zinc/70/81/40/821708140.db2.gz HEXGDYLVOHGIAC-QMMMGPOBSA-N -1 1 293.269 3.009 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1nccc2nc[nH]c21 ZINC001242125966 822886524 /nfs/dbraw/zinc/88/65/24/822886524.db2.gz CXBCPQSEDGYXKY-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM Cc1nc(-c2cc(C(F)(F)F)ccc2[O-])nc2nc[nH]c21 ZINC001242131085 822888275 /nfs/dbraw/zinc/88/82/75/822888275.db2.gz ANESKDNLFAVFOT-UHFFFAOYSA-N -1 1 294.236 3.004 20 0 CGADMM CCc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nn1 ZINC001242131529 822888421 /nfs/dbraw/zinc/88/84/21/822888421.db2.gz GRVGEWBOCMUJOF-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM COc1nc(C)cc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242132085 822888923 /nfs/dbraw/zinc/88/89/23/822888923.db2.gz UXLDTVKBKAJJLE-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM CCc1nccc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242132366 822889396 /nfs/dbraw/zinc/88/93/96/822889396.db2.gz UCCXAHUTWVQGOF-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM [O-]c1ccc(-c2nncc3cnccc32)cc1C(F)(F)F ZINC001242152676 822896145 /nfs/dbraw/zinc/89/61/45/822896145.db2.gz JFUWUKSPUNNVJA-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM Cc1cccc(-c2nccc(C(=O)OC(C)(C)C)n2)c1[O-] ZINC001242344639 822957955 /nfs/dbraw/zinc/95/79/55/822957955.db2.gz RLDPKBDBUSOJGQ-UHFFFAOYSA-N -1 1 286.331 3.113 20 0 CGADMM Cc1cccc(-c2ncc(-c3cccnc3)cn2)c1[O-] ZINC001242345631 822958527 /nfs/dbraw/zinc/95/85/27/822958527.db2.gz VXNRLPMTHLFFMI-UHFFFAOYSA-N -1 1 263.300 3.220 20 0 CGADMM [O-]c1c(F)cccc1-c1cc(N2CCCC2)ccn1 ZINC001242349509 822960751 /nfs/dbraw/zinc/96/07/51/822960751.db2.gz SULAEBGYXPBIFG-UHFFFAOYSA-N -1 1 258.296 3.194 20 0 CGADMM Cc1ncc(-c2cccc(F)c2[O-])c(C(F)(F)F)n1 ZINC001242353897 822963198 /nfs/dbraw/zinc/96/31/98/822963198.db2.gz NEBWAHYKKLJCCD-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM O=C1Cc2cccc(-c3cccc(Cl)c3[O-])c2N1 ZINC001242364348 822968426 /nfs/dbraw/zinc/96/84/26/822968426.db2.gz ITPBORWDOPJROP-UHFFFAOYSA-N -1 1 259.692 3.207 20 0 CGADMM CC(C)n1cc(-c2cccc(Cl)c2[O-])ccc1=O ZINC001242366504 822968711 /nfs/dbraw/zinc/96/87/11/822968711.db2.gz YUYSVNFIXOIHMH-UHFFFAOYSA-N -1 1 263.724 3.455 20 0 CGADMM CC(=O)Nc1ncc(C)cc1-c1cccc(Cl)c1[O-] ZINC001242367655 822969830 /nfs/dbraw/zinc/96/98/30/822969830.db2.gz PGTGPUICYUTFJV-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001338360786 936319626 /nfs/dbraw/zinc/31/96/26/936319626.db2.gz BQYYJHYZNKCSMC-GHMZBOCLSA-N -1 1 285.343 3.264 20 0 CGADMM O=C(NCc1cccc(C(F)F)c1)c1cc(F)ccc1[O-] ZINC001338549177 936328177 /nfs/dbraw/zinc/32/81/77/936328177.db2.gz PFGUCZGOFDAAKI-UHFFFAOYSA-N -1 1 295.260 3.399 20 0 CGADMM CC(C)N(Cc1cccs1)Cc1cncc(C(=O)[O-])c1 ZINC000721520201 926792669 /nfs/dbraw/zinc/79/26/69/926792669.db2.gz VVTOEJOXCWVQSN-UHFFFAOYSA-N -1 1 290.388 3.252 20 0 CGADMM O=C(Nc1cccc(C(F)(F)F)c1)Nc1ncccc1[O-] ZINC000001096672 937221202 /nfs/dbraw/zinc/22/12/02/937221202.db2.gz GTKSMUQIFWYTSR-UHFFFAOYSA-N -1 1 297.236 3.450 20 0 CGADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001434246776 937248551 /nfs/dbraw/zinc/24/85/51/937248551.db2.gz VANRXXWMMNEWNI-ZIAGYGMSSA-N -1 1 299.374 3.199 20 0 CGADMM CC(C)c1cc(C(=O)Nc2cc([O-])c(F)cc2F)on1 ZINC001450894512 928577791 /nfs/dbraw/zinc/57/77/91/928577791.db2.gz HRPDHIFWCBQMHJ-UHFFFAOYSA-N -1 1 282.246 3.034 20 0 CGADMM Cc1cnc(SC[C@@H]2CCCC23CCOCC3)[n-]c1=O ZINC001412928983 928722503 /nfs/dbraw/zinc/72/25/03/928722503.db2.gz MVPTVLKUJRQJBW-LBPRGKRZSA-N -1 1 294.420 3.180 20 0 CGADMM CC1(C)C[C@]1([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC001438028889 937301345 /nfs/dbraw/zinc/30/13/45/937301345.db2.gz WKJVQJVRUPEUFX-ZDUSSCGKSA-N -1 1 289.272 3.328 20 0 CGADMM O=C(Nc1cccc(OC2CCCC2)c1)c1ccc([O-])cn1 ZINC001441075375 937336460 /nfs/dbraw/zinc/33/64/60/937336460.db2.gz SKFVYTVVTIAWCU-UHFFFAOYSA-N -1 1 298.342 3.361 20 0 CGADMM COc1ccc([C@H](C)NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001441116154 937336636 /nfs/dbraw/zinc/33/66/36/937336636.db2.gz JGSIKOCKSDFFAE-JTQLQIEISA-N -1 1 289.306 3.031 20 0 CGADMM Cc1cc([C@@H](C)NC(=O)c2ncc(C)cc2[O-])c(C)s1 ZINC001441197216 937336884 /nfs/dbraw/zinc/33/68/84/937336884.db2.gz JGLRTYLILDWNKA-SNVBAGLBSA-N -1 1 290.388 3.265 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCC[C@]2(CC=CCC2)C1 ZINC001443895567 937349060 /nfs/dbraw/zinc/34/90/60/937349060.db2.gz MSRWATALXIATCW-QGZVFWFLSA-N -1 1 289.350 3.494 20 0 CGADMM C[C@@H]1CC(NC(=O)c2ccc(F)c([O-])c2)C[C@@H](C)C1 ZINC001444364059 937351885 /nfs/dbraw/zinc/35/18/85/937351885.db2.gz QXNJOMZMKUWWKP-UWVGGRQHSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)c([O-])c1 ZINC001445163037 937355833 /nfs/dbraw/zinc/35/58/33/937355833.db2.gz ODRINNJCYDSRMN-STQMWFEESA-N -1 1 284.359 3.018 20 0 CGADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C1CCCCCC1 ZINC001447504227 937369079 /nfs/dbraw/zinc/36/90/79/937369079.db2.gz RDVMOPJMXPGYOM-LBPRGKRZSA-N -1 1 289.375 3.050 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)c([O-])c2)C[C@H]1C ZINC001447497028 937369119 /nfs/dbraw/zinc/36/91/19/937369119.db2.gz SJHQLFRKTICGCC-CKYFFXLPSA-N -1 1 265.328 3.086 20 0 CGADMM CSc1ccccc1[C@@H](C)NC(=O)c1ccc([O-])cn1 ZINC001448311182 937374367 /nfs/dbraw/zinc/37/43/67/937374367.db2.gz XWAPYMGVJJEKMX-SNVBAGLBSA-N -1 1 288.372 3.000 20 0 CGADMM C/C(=C\c1cccnc1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001449442649 937379746 /nfs/dbraw/zinc/37/97/46/937379746.db2.gz BHIMGIZVYNHGBS-VQHVLOKHSA-N -1 1 290.269 3.107 20 0 CGADMM C[C@@H](NC(=O)c1cccc([O-])c1F)C1CCCCC1 ZINC001451998987 937393067 /nfs/dbraw/zinc/39/30/67/937393067.db2.gz NAHLPOIYFGEVGD-SNVBAGLBSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc(F)c([O-])c2)c2ccccc21 ZINC001451867091 937392434 /nfs/dbraw/zinc/39/24/34/937392434.db2.gz ZKWVVHDGTXJVGF-JTQLQIEISA-N -1 1 271.291 3.295 20 0 CGADMM Cc1cocc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001456597949 937432798 /nfs/dbraw/zinc/43/27/98/937432798.db2.gz AKUPYMREYZUFGF-UHFFFAOYSA-N -1 1 269.659 3.338 20 0 CGADMM O=C(NC1(C2CCCCC2)CC1)c1ccc(F)c([O-])c1 ZINC001456989705 937437379 /nfs/dbraw/zinc/43/73/79/937437379.db2.gz WVFDSUHXEDZLDV-UHFFFAOYSA-N -1 1 277.339 3.374 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cscc1Cl ZINC001457765763 937445207 /nfs/dbraw/zinc/44/52/07/937445207.db2.gz VLBQPGOUJVDRAK-UHFFFAOYSA-N -1 1 289.143 3.408 20 0 CGADMM [O-]c1c(F)cc(CN2CCOc3ccccc3C2)cc1F ZINC000134095004 931974153 /nfs/dbraw/zinc/97/41/53/931974153.db2.gz RHKFTMIDKJZKPF-UHFFFAOYSA-N -1 1 291.297 3.065 20 0 CGADMM CCOc1ccc([C@H](C)Oc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001225764840 932038993 /nfs/dbraw/zinc/03/89/93/932038993.db2.gz HWAGEWBUSZLQJB-VIFPVBQESA-N -1 1 292.360 3.010 20 0 CGADMM C[C@H]1CC[C@@H](Oc2cc([O-])cc3oc(=O)ccc23)CC1 ZINC001229136240 932102963 /nfs/dbraw/zinc/10/29/63/932102963.db2.gz VDEYWFFBBJRRJR-KLPPZKSPSA-N -1 1 274.316 3.456 20 0 CGADMM C[C@H]1CC[C@@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229136596 932103110 /nfs/dbraw/zinc/10/31/10/932103110.db2.gz WTSCMAHBNUPQGW-GXSJLCMTSA-N -1 1 260.289 3.066 20 0 CGADMM COc1cc2ccc(=O)oc2c(O[C@H](C)C2CCC2)c1[O-] ZINC001229218024 932117120 /nfs/dbraw/zinc/11/71/20/932117120.db2.gz IQNQDWSGFPXBGS-SECBINFHSA-N -1 1 290.315 3.075 20 0 CGADMM CCC(CC)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229218599 932117746 /nfs/dbraw/zinc/11/77/46/932117746.db2.gz OWEHZYYPDSIIKS-UHFFFAOYSA-N -1 1 278.304 3.075 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1CC=C(OC)CC1 ZINC001229476832 932158369 /nfs/dbraw/zinc/15/83/69/932158369.db2.gz KJMBDDRYKPOAAQ-CYBMUJFWSA-N -1 1 276.332 3.447 20 0 CGADMM Cc1ncnc(NCc2ccc([O-])c(Cl)c2)c1C ZINC001307200694 932927679 /nfs/dbraw/zinc/92/76/79/932927679.db2.gz JCHOMOQUTBCASQ-UHFFFAOYSA-N -1 1 263.728 3.065 20 0 CGADMM C[C@H]1CCCC[C@@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001463586959 937676834 /nfs/dbraw/zinc/67/68/34/937676834.db2.gz QJOMGWXPAFNEIK-FZMZJTMJSA-N -1 1 284.359 3.249 20 0 CGADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001463586964 937676923 /nfs/dbraw/zinc/67/69/23/937676923.db2.gz QJOMGWXPAFNEIK-RISCZKNCSA-N -1 1 284.359 3.249 20 0 CGADMM CCC[C@H](CC)NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001464645887 937693711 /nfs/dbraw/zinc/69/37/11/937693711.db2.gz VNQRXMAWNKXVSA-JTQLQIEISA-N -1 1 290.338 3.388 20 0 CGADMM O=C(NCc1cccc(Cl)c1F)c1ccc([O-])cc1F ZINC001465498973 937701343 /nfs/dbraw/zinc/70/13/43/937701343.db2.gz MRUHQHSQYPNZFR-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM Cc1cc(NC(=O)c2ccc([O-])cn2)c2cccnc2c1C ZINC001465559411 937702083 /nfs/dbraw/zinc/70/20/83/937702083.db2.gz HCUTUKNRWMKLSR-UHFFFAOYSA-N -1 1 293.326 3.205 20 0 CGADMM CCc1ccc(C(C)(C)NC(=O)c2ncc(C)cc2[O-])cc1 ZINC001465664973 937702859 /nfs/dbraw/zinc/70/28/59/937702859.db2.gz XILIYYGPDLOXKI-UHFFFAOYSA-N -1 1 298.386 3.323 20 0 CGADMM O=C(NC1(c2ccc(F)cc2)CC1)c1cccc([O-])c1F ZINC001465704565 937702935 /nfs/dbraw/zinc/70/29/35/937702935.db2.gz QEQCSQPFOPQOPI-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM CCCC(CCC)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001319458634 933879512 /nfs/dbraw/zinc/87/95/12/933879512.db2.gz OUIPAFSYXGHQPA-UHFFFAOYSA-N -1 1 294.347 3.040 20 0 CGADMM CC[C@@H](C)CCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001469159833 937735911 /nfs/dbraw/zinc/73/59/11/937735911.db2.gz FMYAMGSMWSECEV-MRVPVSSYSA-N -1 1 257.280 3.435 20 0 CGADMM CCOc1ccc(NC(=O)c2ccc([O-])cc2F)c(F)c1 ZINC001469137921 937735425 /nfs/dbraw/zinc/73/54/25/937735425.db2.gz UHCZALHBXGVVGP-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM O=C(CCc1ccccc1F)Nc1cc(F)cc(F)c1[O-] ZINC001469159556 937735791 /nfs/dbraw/zinc/73/57/91/937735791.db2.gz DCIPGOZPOFFTPN-UHFFFAOYSA-N -1 1 295.260 3.381 20 0 CGADMM C[C@H]1c2ccccc2CN1C(=O)c1cccc([O-])c1F ZINC001470536033 937754839 /nfs/dbraw/zinc/75/48/39/937754839.db2.gz LZJVFVUZTJUCCY-JTQLQIEISA-N -1 1 271.291 3.248 20 0 CGADMM O=C(Cc1cncc2ccccc21)Nc1cccc(F)c1[O-] ZINC001471167821 937762068 /nfs/dbraw/zinc/76/20/68/937762068.db2.gz HTOQSTLSPIDWPH-UHFFFAOYSA-N -1 1 296.301 3.261 20 0 CGADMM CC(C)n1ncc(C(=O)Nc2cccc(F)c2[O-])c1Cl ZINC001471167541 937762110 /nfs/dbraw/zinc/76/21/10/937762110.db2.gz CUBNJYBBRIFROJ-UHFFFAOYSA-N -1 1 297.717 3.214 20 0 CGADMM C[C@H]1CN(C(=O)NCc2ccc([O-])c(Cl)c2)CC[C@@H]1C ZINC001471235987 937763277 /nfs/dbraw/zinc/76/32/77/937763277.db2.gz PHYPGUDSXUWPLX-QWRGUYRKSA-N -1 1 296.798 3.233 20 0 CGADMM CCC[C@@H]1CCC[C@@H]1C(=O)[N-]Oc1ccccc1F ZINC001471718167 937768686 /nfs/dbraw/zinc/76/86/86/937768686.db2.gz GMUHHUDIGCIPKH-NEPJUHHUSA-N -1 1 265.328 3.452 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cscc1Cl ZINC001472535148 937777222 /nfs/dbraw/zinc/77/72/22/937777222.db2.gz QGPAVCKJHJMDQB-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM O=c1nc(Cl)cc(Oc2ccc(Cl)cc2F)[n-]1 ZINC001472639399 937778981 /nfs/dbraw/zinc/77/89/81/937778981.db2.gz VARLWAPRCCBTHP-UHFFFAOYSA-N -1 1 275.066 3.420 20 0 CGADMM Cc1cnc(SCc2ccc3ncccc3c2)[n-]c1=O ZINC001473035283 937790855 /nfs/dbraw/zinc/79/08/55/937790855.db2.gz FQGWZDVZEVBLJK-UHFFFAOYSA-N -1 1 283.356 3.331 20 0 CGADMM COC(=O)c1c[n-]c(S[C@H]2CCc3c2cccc3F)n1 ZINC001326709650 935000671 /nfs/dbraw/zinc/00/06/71/935000671.db2.gz OMIDUYTZTJXLRM-LBPRGKRZSA-N -1 1 292.335 3.115 20 0 CGADMM O=C(N[C@H]1CCC[C@H](F)C1)c1c([O-])cccc1Cl ZINC001332483294 935472993 /nfs/dbraw/zinc/47/29/93/935472993.db2.gz DNFYXBDUWSAZHV-IUCAKERBSA-N -1 1 271.719 3.056 20 0 CGADMM CCc1ocnc1C(=O)[N-]c1cccc(F)c1SC ZINC001528397673 938067203 /nfs/dbraw/zinc/06/72/03/938067203.db2.gz YVDWEZSJXXHCIM-UHFFFAOYSA-N -1 1 280.324 3.350 20 0 CGADMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C)c2)c1 ZINC001538797020 938120812 /nfs/dbraw/zinc/12/08/12/938120812.db2.gz NLKHIFCSIZOWRX-UHFFFAOYSA-N -1 1 296.326 3.077 20 0 CGADMM CN(C(=O)c1ccc([O-])cn1)C1CCC(C(C)(C)C)CC1 ZINC001540685429 938132959 /nfs/dbraw/zinc/13/29/59/938132959.db2.gz NBPRMAYSEVXFCT-UHFFFAOYSA-N -1 1 290.407 3.464 20 0 CGADMM C[C@@H](c1cccs1)N(C)C(=O)c1ccc(F)c([O-])c1 ZINC001541093939 938134585 /nfs/dbraw/zinc/13/45/85/938134585.db2.gz SNHAEQOWLVZXPQ-VIFPVBQESA-N -1 1 279.336 3.426 20 0 CGADMM CCN(C(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001543400516 938139343 /nfs/dbraw/zinc/13/93/43/938139343.db2.gz KNHFWVLTAFWTLG-UHFFFAOYSA-N -1 1 259.280 3.198 20 0 CGADMM CC[C@@](C)(NC(=O)c1ncc(C)cc1[O-])c1ccccc1 ZINC001543734991 938141312 /nfs/dbraw/zinc/14/13/12/938141312.db2.gz HUGOQWSKHNRZJY-QGZVFWFLSA-N -1 1 284.359 3.151 20 0 CGADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1cccc([O-])c1F ZINC001545100417 938148674 /nfs/dbraw/zinc/14/86/74/938148674.db2.gz URHQUZWSNQCYFO-LBPRGKRZSA-N -1 1 265.328 3.182 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H]1C1CCCCC1 ZINC001551759342 938185860 /nfs/dbraw/zinc/18/58/60/938185860.db2.gz PBRWEVCHZBNVAR-AWEZNQCLSA-N -1 1 277.339 3.326 20 0 CGADMM CC[C@@H]1CCN(C(=O)c2cncc([O-])c2)c2ccccc21 ZINC001551915363 938188331 /nfs/dbraw/zinc/18/83/31/938188331.db2.gz HWWFWKGKXCZMMR-GFCCVEGCSA-N -1 1 282.343 3.331 20 0 CGADMM O=C(Nc1ccccc1OC(F)F)c1ccc(F)c([O-])c1 ZINC001556969278 938206916 /nfs/dbraw/zinc/20/69/16/938206916.db2.gz KFJLFZSZPAOKJO-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM Cc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])c(O)c1C ZINC001557087156 938207768 /nfs/dbraw/zinc/20/77/68/938207768.db2.gz WJGLRPQLZSOIIO-UHFFFAOYSA-N -1 1 293.269 3.245 20 0 CGADMM COC/C=C\C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001557587114 938210931 /nfs/dbraw/zinc/21/09/31/938210931.db2.gz UHPLSRDFVYGQGO-DAXSKMNVSA-N -1 1 291.734 3.340 20 0 CGADMM Cc1cc(C)c(O)c(NC(=O)c2ccc(F)c([O-])c2)c1 ZINC001557874208 938212203 /nfs/dbraw/zinc/21/22/03/938212203.db2.gz JXHZFYFCZZIDKK-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM Cc1cccc(C)c1C(=O)Nc1cccc(F)c1[O-] ZINC001557957988 938212735 /nfs/dbraw/zinc/21/27/35/938212735.db2.gz XWCOFTNBOCIQGC-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM FCCn1cc([N-]c2nc(-c3ccccc3)ns2)cn1 ZINC001559238185 938223111 /nfs/dbraw/zinc/22/31/11/938223111.db2.gz YKIJQBPPCDPFFE-UHFFFAOYSA-N -1 1 289.339 3.115 20 0 CGADMM CCN(CC(=O)[O-])Cc1ccc(F)c(Cl)c1Cl ZINC001596226294 960536858 /nfs/dbraw/zinc/53/68/58/960536858.db2.gz NVFXKNWLPSEYGA-UHFFFAOYSA-N -1 1 280.126 3.039 20 0 CGADMM CC1(C)CC[C@H](NC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001564379591 960641694 /nfs/dbraw/zinc/64/16/94/960641694.db2.gz WKVGBVIWXAYUQH-NSHDSACASA-N -1 1 296.798 3.424 20 0 CGADMM O=C([O-])c1occc1CNCc1ccc(F)c(Cl)c1 ZINC000236475820 960660470 /nfs/dbraw/zinc/66/04/70/960660470.db2.gz QXPRMPOUCVOVIW-UHFFFAOYSA-N -1 1 283.686 3.060 20 0 CGADMM O=C([N-]c1ncc(Cl)s1)c1ocnc1C(F)(F)F ZINC001565731839 960810021 /nfs/dbraw/zinc/81/00/21/960810021.db2.gz UMQLQABGNGNXQL-UHFFFAOYSA-N -1 1 297.645 3.056 20 0 CGADMM CCCC1(CNC(=O)c2ccc(F)c([O-])c2)CCC1 ZINC001566393211 960928117 /nfs/dbraw/zinc/92/81/17/960928117.db2.gz XMZCBNCMKJMDET-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM CC[C@H](C)n1ncc(NC(=O)c2cccc([O-])c2F)c1C ZINC001568579299 961613995 /nfs/dbraw/zinc/61/39/95/961613995.db2.gz XNSKJVYYIXYVMY-VIFPVBQESA-N -1 1 291.326 3.260 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H](F)Cc1ccccc1 ZINC001570102320 961908283 /nfs/dbraw/zinc/90/82/83/961908283.db2.gz ZTLJVTVSFXPPSX-GFCCVEGCSA-N -1 1 295.260 3.190 20 0 CGADMM CSc1cc(C)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC001570403433 961958235 /nfs/dbraw/zinc/95/82/35/961958235.db2.gz OBMKSENMGFGOLY-UHFFFAOYSA-N -1 1 289.356 3.380 20 0 CGADMM [O-]c1ccc(CN2CCNc3ccccc32)c(F)c1F ZINC001580888594 962745223 /nfs/dbraw/zinc/74/52/23/962745223.db2.gz QZBJDKFJKDIEBO-UHFFFAOYSA-N -1 1 276.286 3.103 20 0 CGADMM CN(C[Si](C)(C)C)C(=O)c1ccc2ccccc2c1[O-] ZINC001583276011 962788054 /nfs/dbraw/zinc/78/80/54/962788054.db2.gz VLNLHZRHZDIPDW-UHFFFAOYSA-N -1 1 287.435 3.495 20 0 CGADMM Cc1ccc([C@@H](C)NC(=O)c2cccc([O-])c2F)s1 ZINC001583431249 962808780 /nfs/dbraw/zinc/80/87/80/962808780.db2.gz MDWLIADDCHUMHC-SECBINFHSA-N -1 1 279.336 3.392 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)c([O-])c1 ZINC001584637866 962943009 /nfs/dbraw/zinc/94/30/09/962943009.db2.gz NURKSAJJJJQJSS-ZDUSSCGKSA-N -1 1 298.386 3.192 20 0 CGADMM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1ccc([O-])cn1 ZINC001584735560 962951917 /nfs/dbraw/zinc/95/19/17/962951917.db2.gz AGAKKIHSZNQTBQ-OCCSQVGLSA-N -1 1 276.380 3.122 20 0 CGADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001585519333 963018984 /nfs/dbraw/zinc/01/89/84/963018984.db2.gz JRBQKKSXOHSVHD-DGCLKSJQSA-N -1 1 279.355 3.476 20 0 CGADMM Cc1cc(NC(=O)c2ccccc2[O-])cnc1C(F)(F)F ZINC001585851372 963045678 /nfs/dbraw/zinc/04/56/78/963045678.db2.gz PPMQHJYTPRJQST-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM CC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccncc1 ZINC001586674901 963128570 /nfs/dbraw/zinc/12/85/70/963128570.db2.gz LOVQKRUSJPEGNY-CYBMUJFWSA-N -1 1 290.750 3.322 20 0 CGADMM C[C@H](CNC(=O)c1cccc([O-])c1F)Cc1cccs1 ZINC001587151904 963173421 /nfs/dbraw/zinc/17/34/21/963173421.db2.gz ZRYPVRBYFXIZRO-JTQLQIEISA-N -1 1 293.363 3.201 20 0 CGADMM O=C(N[C@]12C[C@H]1CCCC2)c1ccc2ccc(O)cc2c1[O-] ZINC001587274619 963182470 /nfs/dbraw/zinc/18/24/70/963182470.db2.gz YPGSYZBHZWFXIP-KZULUSFZSA-N -1 1 297.354 3.314 20 0 CGADMM COc1c(F)ccc(F)c1C(=O)Nc1cccc(F)c1[O-] ZINC001587389263 963190213 /nfs/dbraw/zinc/19/02/13/963190213.db2.gz DKJCOKJPCHGEFB-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM Cc1cc(Cl)nc(C(=O)Nc2cccc(F)c2[O-])c1 ZINC001587394055 963194841 /nfs/dbraw/zinc/19/48/41/963194841.db2.gz REXHDUNGDLBXRF-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM O=C(Nc1ccc2[nH]ccc2c1)c1ccc(F)c([O-])c1 ZINC001588108749 963247926 /nfs/dbraw/zinc/24/79/26/963247926.db2.gz CXUVBSQRTROISU-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM C[C@H](N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccco1 ZINC001589123530 963340635 /nfs/dbraw/zinc/34/06/35/963340635.db2.gz LIXXCQWUWIIKTQ-LEWSCRJBSA-N -1 1 271.316 3.243 20 0 CGADMM CC(C)(C)[C@H](NCc1oncc1C(=O)[O-])c1ccccc1 ZINC001589719512 964017357 /nfs/dbraw/zinc/01/73/57/964017357.db2.gz IGXKASYIPCEWHV-CQSZACIVSA-N -1 1 288.347 3.250 20 0 CGADMM Cc1ccc2[nH]c(NCc3ccc(C(=O)[O-])s3)nc2c1 ZINC001605309947 973131400 /nfs/dbraw/zinc/13/14/00/973131400.db2.gz XXZVQSCXVSUTPX-UHFFFAOYSA-N -1 1 287.344 3.243 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccsc1Cl)CC2 ZINC000405452900 973883151 /nfs/dbraw/zinc/88/31/51/973883151.db2.gz QJQYLFCPTXQXCR-JTQLQIEISA-N -1 1 285.796 3.088 20 0 CGADMM CCCc1ccc(CN([C@H](C)C(=O)[O-])C2CC2)s1 ZINC001603691716 974079067 /nfs/dbraw/zinc/07/90/67/974079067.db2.gz BYKDMESNTBOMDK-SNVBAGLBSA-N -1 1 267.394 3.138 20 0 CGADMM C[C@@H]1Oc2ccccc2[C@@H]1NCc1cc(C(=O)[O-])cs1 ZINC001594655462 986891301 /nfs/dbraw/zinc/89/13/01/986891301.db2.gz RGZYZHPXXCRAHG-LKFCYVNXSA-N -1 1 289.356 3.058 20 0 CGADMM CCc1[nH]c(CN(C)Cc2cccc(C)c2)cc1C(=O)[O-] ZINC001597380274 987571673 /nfs/dbraw/zinc/57/16/73/987571673.db2.gz CSSMIGLMJKQWCD-UHFFFAOYSA-N -1 1 286.375 3.216 20 0 CGADMM CCc1[nH]c(CN2Cc3ccccc3C[C@H]2C)cc1C(=O)[O-] ZINC001597391328 987621180 /nfs/dbraw/zinc/62/11/80/987621180.db2.gz KRLRAIHYYAQUKR-GFCCVEGCSA-N -1 1 298.386 3.222 20 0 CGADMM CCc1oc(CN2CCC[C@@]3(CC3(F)F)C2)cc1C(=O)[O-] ZINC001597799183 989378852 /nfs/dbraw/zinc/37/88/52/989378852.db2.gz OBPFBKLSDATGHU-CQSZACIVSA-N -1 1 299.317 3.161 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@H](C)C2(CCC2)C1 ZINC001593731709 996304506 /nfs/dbraw/zinc/30/45/06/996304506.db2.gz HYAKKVLNAGXPLS-WDEREUQCSA-N -1 1 294.420 3.414 20 0 CGADMM CC1=CCCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC001594113114 998219669 /nfs/dbraw/zinc/21/96/69/998219669.db2.gz DXOGUWOPGUVOPV-UHFFFAOYSA-N -1 1 265.740 3.190 20 0 CGADMM C[C@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1nc(C(=O)[O-])co1 ZINC001594356751 999348460 /nfs/dbraw/zinc/34/84/60/999348460.db2.gz ZJALSZOKGSPVFK-NOOOWODRSA-N -1 1 280.368 3.238 20 0 CGADMM CCOc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000095572131 185010592 /nfs/dbraw/zinc/01/05/92/185010592.db2.gz VGQQPZCFVDGYTI-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@H]2CCCC(F)(F)C2)n1 ZINC000337779199 214258175 /nfs/dbraw/zinc/25/81/75/214258175.db2.gz ZXNBUXDLNLEWPD-QMMMGPOBSA-N -1 1 290.335 3.114 20 0 CGADMM CC[C@H](F)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000440587143 529440074 /nfs/dbraw/zinc/44/00/74/529440074.db2.gz YRVJJOSDRJVRBC-YFKPBYRVSA-N -1 1 270.251 3.041 20 0 CGADMM CCC(CC)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000622275899 349666763 /nfs/dbraw/zinc/66/67/63/349666763.db2.gz WEOBPXQOUFUVIQ-UHFFFAOYSA-N -1 1 275.270 3.329 20 0 CGADMM CCc1ccc(NC(=O)c2ccccc2[O-])cc1F ZINC000622460348 349681208 /nfs/dbraw/zinc/68/12/08/349681208.db2.gz PCLDEZKDKJJBEM-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM CCc1ccc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)o1 ZINC000417619475 529658051 /nfs/dbraw/zinc/65/80/51/529658051.db2.gz KRADBOMZGIAXMV-HOTGVXAUSA-N -1 1 285.343 3.245 20 0 CGADMM CCc1nc(CNCc2cccc(C)c2C)ccc1C(=O)[O-] ZINC000426666359 529740278 /nfs/dbraw/zinc/74/02/78/529740278.db2.gz QRADRZGJKCVLGG-UHFFFAOYSA-N -1 1 298.386 3.249 20 0 CGADMM CN(CCC1CC1)C(=O)c1ccc(Br)c([O-])c1 ZINC000163583624 529876194 /nfs/dbraw/zinc/87/61/94/529876194.db2.gz OREPBMYJSPMXDD-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM CC(C)c1nnc([N-]C(=O)c2ccc(Cl)o2)s1 ZINC000025323959 344901995 /nfs/dbraw/zinc/90/19/95/344901995.db2.gz MKIUEMZSORJSDP-UHFFFAOYSA-N -1 1 271.729 3.160 20 0 CGADMM Cc1ccc(CN(C)Cc2ccc(F)cc2C(=O)[O-])o1 ZINC000071264753 345402260 /nfs/dbraw/zinc/40/22/60/345402260.db2.gz SBCRJQSYUDSTPQ-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM O=C(NC1CCCCC1)c1ccc(Br)c([O-])c1 ZINC000132818839 232196370 /nfs/dbraw/zinc/19/63/70/232196370.db2.gz GBITVELNXVJBMW-UHFFFAOYSA-N -1 1 298.180 3.217 20 0 CGADMM Cc1cscc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000161598118 232250652 /nfs/dbraw/zinc/25/06/52/232250652.db2.gz FSNJGNBQXDHUPP-UHFFFAOYSA-N -1 1 281.402 3.474 20 0 CGADMM CSCc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000171319827 232268628 /nfs/dbraw/zinc/26/86/28/232268628.db2.gz SBAUNVPISUIOGB-UHFFFAOYSA-N -1 1 289.356 3.213 20 0 CGADMM O=C(c1ncccc1[O-])N1CCCC2(C1)CCCCCC2 ZINC000174731761 232305732 /nfs/dbraw/zinc/30/57/32/232305732.db2.gz KJLWDBDBQBMMDM-UHFFFAOYSA-N -1 1 288.391 3.364 20 0 CGADMM CC1(C)CCC[C@@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC000389147127 346572345 /nfs/dbraw/zinc/57/23/45/346572345.db2.gz QOASQOVJZLTVKM-SNVBAGLBSA-N -1 1 265.328 3.087 20 0 CGADMM Cc1noc(C)c1[N-]C(=O)c1ncoc1-c1ccccc1 ZINC000601446824 347895446 /nfs/dbraw/zinc/89/54/46/347895446.db2.gz NXZBWHYPHNHDSA-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C[C@H]1C ZINC000613162972 348570031 /nfs/dbraw/zinc/57/00/31/348570031.db2.gz RFFQSMHWOIBXEC-VXGBXAGGSA-N -1 1 284.359 3.059 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccc(OCC)cc2)c1=O ZINC000614186892 348656467 /nfs/dbraw/zinc/65/64/67/348656467.db2.gz NXBWZAMEAKNCIE-AWEZNQCLSA-N -1 1 260.337 3.224 20 0 CGADMM Cc1nn(C)c(C)c1[N-]c1nc2cc(F)ccc2o1 ZINC000358212910 233082629 /nfs/dbraw/zinc/08/26/29/233082629.db2.gz OPBZWNHGGXNOGD-UHFFFAOYSA-N -1 1 260.272 3.061 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000616729770 348876115 /nfs/dbraw/zinc/87/61/15/348876115.db2.gz WTCVBJIIUWGEGB-CABZTGNLSA-N -1 1 265.740 3.060 20 0 CGADMM C[C@@H]1N(C(=O)c2cncc([O-])c2)c2ccccc2C1(C)C ZINC000619018442 349195632 /nfs/dbraw/zinc/19/56/32/349195632.db2.gz GRWQSBVWGFHESO-NSHDSACASA-N -1 1 282.343 3.114 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N(CCC1CC1)CC1CC1 ZINC000620631991 349401603 /nfs/dbraw/zinc/40/16/03/349401603.db2.gz SGDCGJKBEKTHJJ-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM CC1(C)CC[C@H](CO)[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625579254 350184936 /nfs/dbraw/zinc/18/49/36/350184936.db2.gz AODKRPOYWPBDKX-GFCCVEGCSA-N -1 1 283.799 3.029 20 0 CGADMM CC(C)(CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CC1 ZINC000629379682 350685288 /nfs/dbraw/zinc/68/52/88/350685288.db2.gz HFNIJDPIXKHOPY-UHFFFAOYSA-N -1 1 299.374 3.343 20 0 CGADMM C/C=C\C[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000629870130 350778367 /nfs/dbraw/zinc/77/83/67/350778367.db2.gz DEMUWJGTXMDOHQ-QUCGXOGASA-N -1 1 295.329 3.489 20 0 CGADMM C/C=C\C[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000629873623 350781482 /nfs/dbraw/zinc/78/14/82/350781482.db2.gz QKFNDQKPMDJREF-ZZKXABKFSA-N -1 1 277.339 3.350 20 0 CGADMM CCc1nc(SCc2cc(Cl)ccn2)[n-]c(=O)c1C ZINC000631017635 350924945 /nfs/dbraw/zinc/92/49/45/350924945.db2.gz RMLFARARBSKBAB-UHFFFAOYSA-N -1 1 295.795 3.394 20 0 CGADMM Cc1nc(SCCOCC2CCC2)[n-]c(=O)c1C1CC1 ZINC000631023330 350927113 /nfs/dbraw/zinc/92/71/13/350927113.db2.gz MTINPVJWIHDWCY-UHFFFAOYSA-N -1 1 294.420 3.277 20 0 CGADMM COC1(CCSc2nc(C)c(C3CC3)c(=O)[n-]2)CCC1 ZINC000631023905 350927598 /nfs/dbraw/zinc/92/75/98/350927598.db2.gz ZKYUQXFMOOIDIS-UHFFFAOYSA-N -1 1 294.420 3.419 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCC1=CCCC1 ZINC000632077666 351165203 /nfs/dbraw/zinc/16/52/03/351165203.db2.gz VHJHKDBLKHZNJJ-UHFFFAOYSA-N -1 1 279.767 3.205 20 0 CGADMM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000632170587 351176590 /nfs/dbraw/zinc/17/65/90/351176590.db2.gz ZDKRWDHSZJROSD-QMMMGPOBSA-N -1 1 293.335 3.074 20 0 CGADMM CN(C[C@@H]1CC=CCC1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632416016 351197050 /nfs/dbraw/zinc/19/70/50/351197050.db2.gz JTLSLLKBBRXXKL-GFCCVEGCSA-N -1 1 293.794 3.403 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H]1C(F)F ZINC000633230039 351261176 /nfs/dbraw/zinc/26/11/76/351261176.db2.gz JNNAWPBJUDIDIV-GFCCVEGCSA-N -1 1 277.270 3.025 20 0 CGADMM O=c1c2c([n-]n1CC(F)(F)C(F)(F)F)CCCCCC2 ZINC000634604543 351538850 /nfs/dbraw/zinc/53/88/50/351538850.db2.gz JLQJQZQLRQOMLG-QMMMGPOBSA-N -1 1 298.255 3.353 20 0 CGADMM CCCc1c(C)[n-]n([C@H]2CCc3c2cccc3F)c1=O ZINC000634632513 351554192 /nfs/dbraw/zinc/55/41/92/351554192.db2.gz SYKKHTWCGIJFCN-NHYWBVRUSA-N -1 1 274.339 3.447 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CC2(CCC2)[C@H]1C1CC1 ZINC000291952452 198115457 /nfs/dbraw/zinc/11/54/57/198115457.db2.gz QPBGWZLSWFHAPU-CQSZACIVSA-N -1 1 293.313 3.075 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2)c(C)s1 ZINC000047982643 137900017 /nfs/dbraw/zinc/90/00/17/137900017.db2.gz DJGHUSUNJYCATE-UHFFFAOYSA-N -1 1 267.375 3.166 20 0 CGADMM Cc1ccc(C[C@H](C)NC(=O)c2ccc([O-])cc2F)s1 ZINC000154912989 188170035 /nfs/dbraw/zinc/17/00/35/188170035.db2.gz DJUUDIDGLLIFFV-VIFPVBQESA-N -1 1 293.363 3.262 20 0 CGADMM CCC[C@H](OC)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000157385737 188313770 /nfs/dbraw/zinc/31/37/70/188313770.db2.gz HWTZOOZZZJRUAS-NSHDSACASA-N -1 1 266.272 3.069 20 0 CGADMM O=C(Nc1ccncc1[O-])c1cnc(-c2ccccc2)s1 ZINC000109890790 138361932 /nfs/dbraw/zinc/36/19/32/138361932.db2.gz WNIJJCMPNVLISB-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM O=C(Nc1ccncc1[O-])c1cccc(Cl)c1Cl ZINC000109891374 138362454 /nfs/dbraw/zinc/36/24/54/138362454.db2.gz WFIDQMYKJYGOAW-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(F)c(F)c2)o1 ZINC000426799921 236315509 /nfs/dbraw/zinc/31/55/09/236315509.db2.gz JYNFMCUAUSDTDJ-ZDUSSCGKSA-N -1 1 295.285 3.172 20 0 CGADMM O=C(Nc1nc2ccsc2s1)c1ccccc1[O-] ZINC000436533829 237125906 /nfs/dbraw/zinc/12/59/06/237125906.db2.gz VYFPQUAYLPXHCR-UHFFFAOYSA-N -1 1 276.342 3.316 20 0 CGADMM Cn1nc(-c2ccsc2)cc1NC(=O)c1ccccc1[O-] ZINC000436716769 237167353 /nfs/dbraw/zinc/16/73/53/237167353.db2.gz QXFBDMPFSFXIGK-UHFFFAOYSA-N -1 1 299.355 3.107 20 0 CGADMM O=C(N[C@H]1CC[C@H](F)C1)c1ccc2ccccc2c1[O-] ZINC000436743589 237169562 /nfs/dbraw/zinc/16/95/62/237169562.db2.gz HOGFICYJNDCBIY-RYUDHWBXSA-N -1 1 273.307 3.166 20 0 CGADMM CN(C(=O)c1ccc([O-])cc1F)[C@H]1CCC(C)(C)C1 ZINC000436913651 237210059 /nfs/dbraw/zinc/21/00/59/237210059.db2.gz JIXMQWCBMAGCPF-JTQLQIEISA-N -1 1 265.328 3.182 20 0 CGADMM CN(C(=O)c1cc(F)ccc1[O-])c1ccc2cc[nH]c2c1 ZINC000436996379 237229521 /nfs/dbraw/zinc/22/95/21/237229521.db2.gz KMXNUTCHEKFAFO-UHFFFAOYSA-N -1 1 284.290 3.289 20 0 CGADMM O=C([O-])Cc1ccccc1CNCc1ccccc1Cl ZINC000167579611 304089455 /nfs/dbraw/zinc/08/94/55/304089455.db2.gz KTJZPVRUNCQSQY-UHFFFAOYSA-N -1 1 289.762 3.257 20 0 CGADMM Cc1cccnc1[C@H]([N-]C(=O)C(F)(F)C(F)F)C(C)C ZINC000176712711 189005573 /nfs/dbraw/zinc/00/55/73/189005573.db2.gz CKJKEPNAGUGYAF-SECBINFHSA-N -1 1 292.276 3.104 20 0 CGADMM COC(C)(C)CS(=O)(=O)[N-]c1cccc2ccccc21 ZINC000439257282 238243615 /nfs/dbraw/zinc/24/36/15/238243615.db2.gz KBRXHGAQXAPWAI-UHFFFAOYSA-N -1 1 293.388 3.007 20 0 CGADMM C[C@H]1c2cc(F)cc(F)c2CCN1CCCCC(=O)[O-] ZINC000262275528 291314498 /nfs/dbraw/zinc/31/44/98/291314498.db2.gz UPTLVTDKNYDGLS-JTQLQIEISA-N -1 1 283.318 3.139 20 0 CGADMM CC(=O)c1[n-]c(=NCc2cc(C)cs2)sc1C ZINC000450721719 240051702 /nfs/dbraw/zinc/05/17/02/240051702.db2.gz YKZKOZIBKYNYGZ-UHFFFAOYSA-N -1 1 266.391 3.058 20 0 CGADMM O=S(=O)([N-]C[C@H]1CC=CCC1)c1sccc1Cl ZINC000451120727 240224114 /nfs/dbraw/zinc/22/41/14/240224114.db2.gz LILKTJYTXXJTCX-VIFPVBQESA-N -1 1 291.825 3.036 20 0 CGADMM O=S(=O)([N-]CCC1=CCCC1)c1sccc1Cl ZINC000451347984 240279862 /nfs/dbraw/zinc/27/98/62/240279862.db2.gz PLYGECMMWUBKJU-UHFFFAOYSA-N -1 1 291.825 3.180 20 0 CGADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000016149047 368708446 /nfs/dbraw/zinc/70/84/46/368708446.db2.gz NQIZVRFQMDUXKO-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC(C)CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000017172551 368728018 /nfs/dbraw/zinc/72/80/18/368728018.db2.gz DWZPDCJYIJRTOK-UHFFFAOYSA-N -1 1 257.333 3.321 20 0 CGADMM CN(CC(F)(F)F)C(=O)c1cc2ccccc2cc1[O-] ZINC000037501975 369087974 /nfs/dbraw/zinc/08/79/74/369087974.db2.gz SKLSDAPZGSDHHE-UHFFFAOYSA-N -1 1 283.249 3.180 20 0 CGADMM CCCN(CC)C(=O)c1ccc2ccccc2c1[O-] ZINC000037023393 369053096 /nfs/dbraw/zinc/05/30/96/369053096.db2.gz KFADZGGPVPSPQH-UHFFFAOYSA-N -1 1 257.333 3.418 20 0 CGADMM Cc1nc(S[C@H](C)c2cccnc2)[n-]c(=O)c1C ZINC000330673509 203102573 /nfs/dbraw/zinc/10/25/73/203102573.db2.gz HJZCQZIUYNADKA-SNVBAGLBSA-N -1 1 261.350 3.047 20 0 CGADMM CCC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000042355868 369215890 /nfs/dbraw/zinc/21/58/90/369215890.db2.gz FFQWWPBCBGAZHO-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM O=C(NCc1ccc(F)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000042354783 369216341 /nfs/dbraw/zinc/21/63/41/369216341.db2.gz QFTQITDAQVKCOH-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM CCCc1nc(CN2CCCC[C@H]2CCC(=O)[O-])cs1 ZINC000050924279 369444300 /nfs/dbraw/zinc/44/43/00/369444300.db2.gz HIEIUWZUHBOGOV-ZDUSSCGKSA-N -1 1 296.436 3.315 20 0 CGADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1cccc2ccccc21 ZINC000109042906 370359286 /nfs/dbraw/zinc/35/92/86/370359286.db2.gz IQISRSQNYDZUGJ-GFCCVEGCSA-N -1 1 292.338 3.431 20 0 CGADMM C[C@H]1CC[C@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000331528079 203935039 /nfs/dbraw/zinc/93/50/39/203935039.db2.gz GDTNLECMWBNFTK-IUCAKERBSA-N -1 1 262.284 3.485 20 0 CGADMM CC1(C)C[C@@H](NC(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000150930376 371550425 /nfs/dbraw/zinc/55/04/25/371550425.db2.gz XQSJXYRJYTYSKP-AWEZNQCLSA-N -1 1 299.370 3.233 20 0 CGADMM COc1ccc(C(=O)N2c3ccccc3CC[C@H]2C)c([O-])c1 ZINC000020260113 541855345 /nfs/dbraw/zinc/85/53/45/541855345.db2.gz XWNRTWTZHZSQKQ-GFCCVEGCSA-N -1 1 297.354 3.382 20 0 CGADMM CC[C@H]1C[C@H](NC(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000421660609 371597363 /nfs/dbraw/zinc/59/73/63/371597363.db2.gz CSQVMXBVRGIGCX-CABCVRRESA-N -1 1 299.370 3.233 20 0 CGADMM Cc1cc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)oc1C(=O)[O-] ZINC000036812792 541859835 /nfs/dbraw/zinc/85/98/35/541859835.db2.gz BXNPQWZERBCMQU-PHIMTYICSA-N -1 1 251.326 3.049 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CC2(C1)CCCCC2 ZINC000290593546 372024435 /nfs/dbraw/zinc/02/44/35/372024435.db2.gz VKNWOJBQNCAPPZ-UHFFFAOYSA-N -1 1 281.302 3.077 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCS[C@H]2CCCC[C@@H]21 ZINC000092426625 296181633 /nfs/dbraw/zinc/18/16/33/296181633.db2.gz DVDXXIWOMAOVJE-JSGCOSHPSA-N -1 1 295.379 3.032 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H]1c1ccccc1 ZINC000436527966 296181792 /nfs/dbraw/zinc/18/17/92/296181792.db2.gz JQPKDWVOOFBMEJ-CQSZACIVSA-N -1 1 271.291 3.119 20 0 CGADMM FC(F)c1nnc([N-]c2ccc(N3CCCCC3)nc2)o1 ZINC000292469523 372192999 /nfs/dbraw/zinc/19/29/99/372192999.db2.gz KTSCEHBQPDGBDN-UHFFFAOYSA-N -1 1 295.293 3.136 20 0 CGADMM CCOc1cc(C(=O)N2CC(C)(CC)C2)cc(Cl)c1[O-] ZINC000292992140 372271614 /nfs/dbraw/zinc/27/16/14/372271614.db2.gz YJFDBIACUMIHOY-UHFFFAOYSA-N -1 1 297.782 3.316 20 0 CGADMM CC(C)C(=O)c1ccc([C@@H](C)C(=O)[N-]OCC2CC2)cc1 ZINC000293704079 372456209 /nfs/dbraw/zinc/45/62/09/372456209.db2.gz DVHUFJAAPGILQD-GFCCVEGCSA-N -1 1 289.375 3.087 20 0 CGADMM C[C@@H]1[C@@H](C)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000294119680 372586795 /nfs/dbraw/zinc/58/67/95/372586795.db2.gz NLEDGBFVKOJZCU-WDEREUQCSA-N -1 1 255.317 3.026 20 0 CGADMM [O-]c1cccc(CN2CCC[C@H]2C(F)F)c1Cl ZINC000353482521 220106202 /nfs/dbraw/zinc/10/62/02/220106202.db2.gz NCWGYPWWHWWKBR-VIFPVBQESA-N -1 1 261.699 3.275 20 0 CGADMM Cc1nc(-c2ccc(N[C@@H]3CCC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000301392188 373769981 /nfs/dbraw/zinc/76/99/81/373769981.db2.gz BIRABBCEGRZVDH-IINYFYTJSA-N -1 1 298.390 3.462 20 0 CGADMM CC[C@@H](C)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000178136306 373747916 /nfs/dbraw/zinc/74/79/16/373747916.db2.gz XLDPLADTJSJZDT-SNVBAGLBSA-N -1 1 282.409 3.202 20 0 CGADMM O=C(Nc1ccccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180336262 373990649 /nfs/dbraw/zinc/99/06/49/373990649.db2.gz XPGRYQDJTXNWNV-UHFFFAOYSA-N -1 1 282.221 3.058 20 0 CGADMM COc1ccc([C@@H](C)N=c2[n-]c(C(C)=O)c(C)s2)cc1 ZINC000450290633 374043941 /nfs/dbraw/zinc/04/39/41/374043941.db2.gz WXDTWOMBHSUAAN-SECBINFHSA-N -1 1 290.388 3.258 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2F)c(C)o1 ZINC000182831209 374332328 /nfs/dbraw/zinc/33/23/28/374332328.db2.gz SNYRLUKOJGOQOH-UHFFFAOYSA-N -1 1 283.324 3.145 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)C2(C)CC2)c1 ZINC000182910212 374341568 /nfs/dbraw/zinc/34/15/68/374341568.db2.gz ZWVQLBOWDNSLTE-UHFFFAOYSA-N -1 1 284.153 3.202 20 0 CGADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)C(C)(F)F ZINC000328208048 374361281 /nfs/dbraw/zinc/36/12/81/374361281.db2.gz UOEFNLJMZHHYEP-ZCFIWIBFSA-N -1 1 263.671 3.275 20 0 CGADMM CN(CCC(F)(F)F)Cc1cccc([O-])c1Cl ZINC000328234321 374363401 /nfs/dbraw/zinc/36/34/01/374363401.db2.gz PDXPGYGMWDJMHB-UHFFFAOYSA-N -1 1 267.678 3.430 20 0 CGADMM CCc1ccc(O)c(C(=O)Nc2c([O-])cccc2F)c1 ZINC000092550497 541976133 /nfs/dbraw/zinc/97/61/33/541976133.db2.gz PJKRGYGWFGFZFY-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM CC[C@H]1C[C@H](CC(=O)Nc2ccc([O-])c(F)c2F)CCO1 ZINC000456791075 374625367 /nfs/dbraw/zinc/62/53/67/374625367.db2.gz XFLWPELDVKWGFE-ZJUUUORDSA-N -1 1 299.317 3.204 20 0 CGADMM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000457297261 374645035 /nfs/dbraw/zinc/64/50/35/374645035.db2.gz SFGXLIUVIAIEIF-UKRRQHHQSA-N -1 1 265.328 3.086 20 0 CGADMM CCc1nc(C)c(C(=O)Nc2ccc(F)cc2[O-])s1 ZINC000334434036 374748487 /nfs/dbraw/zinc/74/84/87/374748487.db2.gz NGMNDZDQGUEXGT-UHFFFAOYSA-N -1 1 280.324 3.111 20 0 CGADMM CCC1(c2ccccc2)CN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000458210413 374722482 /nfs/dbraw/zinc/72/24/82/374722482.db2.gz DWNSTHVPEYATKS-UHFFFAOYSA-N -1 1 299.345 3.335 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccccc2[O-])c2c(O)cccc21 ZINC000186336798 374834861 /nfs/dbraw/zinc/83/48/61/374834861.db2.gz SFMSJMCYRLJPLZ-LLVKDONJSA-N -1 1 283.327 3.252 20 0 CGADMM COC(=O)c1c[n-]c(S[C@H](C)c2cccc(OC)c2)n1 ZINC000187583623 375048730 /nfs/dbraw/zinc/04/87/30/375048730.db2.gz CINOYCQVNOBPFZ-SECBINFHSA-N -1 1 292.360 3.058 20 0 CGADMM CCC[C@@H](C)C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000473662029 375059199 /nfs/dbraw/zinc/05/91/99/375059199.db2.gz VDYWXUQTYGWBOG-SECBINFHSA-N -1 1 293.317 3.152 20 0 CGADMM CCc1cc(=O)[n-]c(SCCCc2ccccc2C)n1 ZINC000188082023 375156140 /nfs/dbraw/zinc/15/61/40/375156140.db2.gz PAFQQZZUXVDDKK-UHFFFAOYSA-N -1 1 288.416 3.366 20 0 CGADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335218369 375237446 /nfs/dbraw/zinc/23/74/46/375237446.db2.gz RZRJZZLUOQLIJH-CLAHSXSESA-N -1 1 269.291 3.291 20 0 CGADMM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000335218358 375238212 /nfs/dbraw/zinc/23/82/12/375238212.db2.gz RPWJEFQNETYBQW-XLKFXECMSA-N -1 1 269.291 3.435 20 0 CGADMM CC(C)c1ncc(C(=O)Nc2nc(Cl)ccc2[O-])s1 ZINC000188348725 375200552 /nfs/dbraw/zinc/20/05/52/375200552.db2.gz BIYLCRIWBKLFKO-UHFFFAOYSA-N -1 1 297.767 3.273 20 0 CGADMM C[C@H]1CCN(Cc2cccc(Cl)c2F)C[C@H]1C(=O)[O-] ZINC000335420710 375278776 /nfs/dbraw/zinc/27/87/76/375278776.db2.gz DFUNEJGEDUNRII-GXSJLCMTSA-N -1 1 285.746 3.022 20 0 CGADMM COc1cc(C(=O)N2CCC(C)=C(C)C2)cc(Cl)c1[O-] ZINC000335698761 375356351 /nfs/dbraw/zinc/35/63/51/375356351.db2.gz HQVUTGQMAQRBBN-UHFFFAOYSA-N -1 1 295.766 3.237 20 0 CGADMM COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc(Cl)c1[O-] ZINC000335838027 375471255 /nfs/dbraw/zinc/47/12/55/375471255.db2.gz OLKTVPVPNAKNOX-NXEZZACHSA-N -1 1 297.782 3.172 20 0 CGADMM Cc1cnc(NC(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000190921481 375550044 /nfs/dbraw/zinc/55/00/44/375550044.db2.gz VIUOCUPZTJZKJS-UHFFFAOYSA-N -1 1 283.740 3.455 20 0 CGADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1F ZINC000336000235 375606438 /nfs/dbraw/zinc/60/64/38/375606438.db2.gz DAXVDLIQIUMPEZ-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]2CCC[C@@H]21 ZINC000336147255 375726575 /nfs/dbraw/zinc/72/65/75/375726575.db2.gz HRQKLHIASAONPM-SKDRFNHKSA-N -1 1 265.740 3.060 20 0 CGADMM CCOc1cc(C(=O)NC2CCCC2)cc(Cl)c1[O-] ZINC000192601164 375769400 /nfs/dbraw/zinc/76/94/00/375769400.db2.gz LXDKJMXCSLYLHT-UHFFFAOYSA-N -1 1 283.755 3.117 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H](C)c2ccccc2C)n1 ZINC000193542861 375893265 /nfs/dbraw/zinc/89/32/65/375893265.db2.gz DHKDCEKTRCLTCK-JTQLQIEISA-N -1 1 276.361 3.358 20 0 CGADMM CCN(Cc1ccc(Cl)s1)C(=O)c1ncccc1[O-] ZINC000194655879 376031831 /nfs/dbraw/zinc/03/18/31/376031831.db2.gz CEHJHUMWQYGSLL-UHFFFAOYSA-N -1 1 296.779 3.164 20 0 CGADMM O=C(NCC1CCCC1)c1ccc(Br)c([O-])c1 ZINC000228316511 376434426 /nfs/dbraw/zinc/43/44/26/376434426.db2.gz RQEGYEHASLKEME-UHFFFAOYSA-N -1 1 298.180 3.075 20 0 CGADMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1ccsc1 ZINC000334300748 206333873 /nfs/dbraw/zinc/33/38/73/206333873.db2.gz VJOJMZJLBMNORV-MRVPVSSYSA-N -1 1 265.309 3.335 20 0 CGADMM CCC(CC)CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153764408 542113761 /nfs/dbraw/zinc/11/37/61/542113761.db2.gz NBDQGHOIRSRASQ-UHFFFAOYSA-N -1 1 285.771 3.220 20 0 CGADMM CCC[C@@H]1CCCC[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000558515240 377016747 /nfs/dbraw/zinc/01/67/47/377016747.db2.gz XYIXPQYQALQZMA-IUODEOHRSA-N -1 1 289.375 3.050 20 0 CGADMM Cc1ccc(C)c(OCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340332201 377011442 /nfs/dbraw/zinc/01/14/42/377011442.db2.gz NJSLNXFDKCBYRK-UHFFFAOYSA-N -1 1 289.306 3.166 20 0 CGADMM Cc1ccc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)nn1 ZINC000561093705 377206818 /nfs/dbraw/zinc/20/68/18/377206818.db2.gz SFDWOHANLMYHQX-UHFFFAOYSA-N -1 1 280.331 3.224 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])[C@H]2CCCC[C@@H]12 ZINC000248393999 377305409 /nfs/dbraw/zinc/30/54/09/377305409.db2.gz XQYCWRWMZVWPDO-OSMZGAPFSA-N -1 1 277.339 3.182 20 0 CGADMM O=C(NCc1ccc(C(F)F)cc1)c1cc(F)ccc1[O-] ZINC000185405448 249056773 /nfs/dbraw/zinc/05/67/73/249056773.db2.gz GJYOIXTUOMAHIQ-UHFFFAOYSA-N -1 1 295.260 3.399 20 0 CGADMM Cc1cnc(S[C@H]2CCc3ccc(F)cc32)[n-]c1=O ZINC000574585591 377683518 /nfs/dbraw/zinc/68/35/18/377683518.db2.gz ZKZIPCMVQDHHBI-LBPRGKRZSA-N -1 1 276.336 3.409 20 0 CGADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1ccsc1Cl ZINC000263071701 377917037 /nfs/dbraw/zinc/91/70/37/377917037.db2.gz PMTQTXYTTFYMTG-PSASIEDQSA-N -1 1 273.785 3.087 20 0 CGADMM O=C([O-])[C@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)C1 ZINC000575413133 377906621 /nfs/dbraw/zinc/90/66/21/377906621.db2.gz YNGPHMFKEXCYLW-LBPRGKRZSA-N -1 1 294.420 3.097 20 0 CGADMM O=C([O-])[C@H]1CCN(Cc2nc(C3CCCCC3)cs2)C1 ZINC000575413133 377906624 /nfs/dbraw/zinc/90/66/24/377906624.db2.gz YNGPHMFKEXCYLW-LBPRGKRZSA-N -1 1 294.420 3.097 20 0 CGADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1ccc(Cl)c(F)c1 ZINC000263057146 377915975 /nfs/dbraw/zinc/91/59/75/377915975.db2.gz LVXABFCZWSFINS-MWLCHTKSSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1nc(CSc2nc(C)c(C)c(=O)[n-]2)c(C)s1 ZINC000346720919 378684492 /nfs/dbraw/zinc/68/44/92/378684492.db2.gz GPWSQGZSYKFDFY-UHFFFAOYSA-N -1 1 281.406 3.165 20 0 CGADMM C[C@H](C(=O)[N-]OCCC(F)(F)F)c1cccc(Cl)c1 ZINC000275076119 378935016 /nfs/dbraw/zinc/93/50/16/378935016.db2.gz MBTVIADMWLLVRT-QMMMGPOBSA-N -1 1 295.688 3.444 20 0 CGADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1c(F)ccc([O-])c1F ZINC000348737500 379035426 /nfs/dbraw/zinc/03/54/26/379035426.db2.gz DIMVPBUHWMKKJC-GARJFASQSA-N -1 1 295.329 3.369 20 0 CGADMM O=C(NC1CC(F)(F)C1)c1ccc2ccccc2c1[O-] ZINC000277200569 379095209 /nfs/dbraw/zinc/09/52/09/379095209.db2.gz CLLVGDRTBNAIBH-UHFFFAOYSA-N -1 1 277.270 3.073 20 0 CGADMM CC[C@@H]1C[C@@H](c2nc(-c3ccc([O-])cc3F)no2)CCO1 ZINC000278228073 379321418 /nfs/dbraw/zinc/32/14/18/379321418.db2.gz RMKDUHDWQHAJSR-GXSJLCMTSA-N -1 1 292.310 3.254 20 0 CGADMM COCCC1(c2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000278252517 379327234 /nfs/dbraw/zinc/32/72/34/379327234.db2.gz TYARTZLEETYEGF-UHFFFAOYSA-N -1 1 294.738 3.164 20 0 CGADMM CSC[C@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278136932 379299630 /nfs/dbraw/zinc/29/96/30/379299630.db2.gz KXHMZCJIXMBVJS-ZETCQYMHSA-N -1 1 268.313 3.048 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ncoc3C3CC3)n2)cc1F ZINC000350566670 379562718 /nfs/dbraw/zinc/56/27/18/379562718.db2.gz OKVGNCMBQJNVRW-UHFFFAOYSA-N -1 1 287.250 3.114 20 0 CGADMM O=C(N=c1[n-]sc2ccccc21)N1CCC[C@@H]1C1CC1 ZINC000640340369 379770989 /nfs/dbraw/zinc/77/09/89/379770989.db2.gz GZPRIGAZENTMNQ-GFCCVEGCSA-N -1 1 287.388 3.125 20 0 CGADMM CN(Cc1ccncc1)Cc1cccc([O-])c1Cl ZINC000352871877 380013844 /nfs/dbraw/zinc/01/38/44/380013844.db2.gz CYOCYXFALFZCEF-UHFFFAOYSA-N -1 1 262.740 3.073 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H](C2CCCC2)C1 ZINC000643359505 380297083 /nfs/dbraw/zinc/29/70/83/380297083.db2.gz HOEYKVOVQBGWON-ZDUSSCGKSA-N -1 1 277.339 3.184 20 0 CGADMM Cc1cnc(CN[C@@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000417600459 380646482 /nfs/dbraw/zinc/64/64/82/380646482.db2.gz JMAKBVOZKXYFSW-ZDUSSCGKSA-N -1 1 290.388 3.147 20 0 CGADMM CC1(C)CN(Cc2cccc([O-])c2Cl)C(C)(C)CO1 ZINC000646088126 380826929 /nfs/dbraw/zinc/82/69/29/380826929.db2.gz ZWSRUTDRKFSUDV-UHFFFAOYSA-N -1 1 283.799 3.435 20 0 CGADMM CO[C@]1(C)CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000279343185 194392999 /nfs/dbraw/zinc/39/29/99/194392999.db2.gz FUGOWGPHKZIZGU-GOSISDBHSA-N -1 1 299.370 3.187 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)nc2C)cc1 ZINC000334855554 207190939 /nfs/dbraw/zinc/19/09/39/207190939.db2.gz ZJHUSCJWBQTUFD-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM CCc1ccc(-c2ccc(CN[C@H](CC)C(=O)[O-])o2)cc1 ZINC000362346673 381951365 /nfs/dbraw/zinc/95/13/65/381951365.db2.gz NPCPPZUSTWFFOC-OAHLLOKOSA-N -1 1 287.359 3.462 20 0 CGADMM Cc1ccc([C@H]2CCN(C(=O)c3ccc([O-])cc3F)C2)cc1 ZINC000363756831 382253516 /nfs/dbraw/zinc/25/35/16/382253516.db2.gz QNSVRXNFHYJNIN-AWEZNQCLSA-N -1 1 299.345 3.469 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)C3=CCCCC3)[nH][n-]2)s1 ZINC000353770263 220318047 /nfs/dbraw/zinc/31/80/47/220318047.db2.gz GWFSJWNLQWFWJD-UHFFFAOYSA-N -1 1 287.388 3.307 20 0 CGADMM CC(=O)[C@H]1C[C@H](CC(=O)Nc2ccc(F)cc2[O-])C1(C)C ZINC000353868763 220377949 /nfs/dbraw/zinc/37/79/49/220377949.db2.gz GPVCSFYGSPIISJ-ZYHUDNBSSA-N -1 1 293.338 3.111 20 0 CGADMM CO[C@H](c1nc(-c2ccc([O-])cc2Cl)no1)C1CC1 ZINC000289090984 197232230 /nfs/dbraw/zinc/23/22/30/197232230.db2.gz NVLFYJMNRTXOBP-NSHDSACASA-N -1 1 280.711 3.193 20 0 CGADMM O=C([O-])C[C@H]1CCCCN1Cc1ccsc1Cl ZINC000308357078 542422259 /nfs/dbraw/zinc/42/22/59/542422259.db2.gz ORLPGOBXZGOQSH-SNVBAGLBSA-N -1 1 273.785 3.231 20 0 CGADMM Cc1ccc(F)c(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000318602337 542437952 /nfs/dbraw/zinc/43/79/52/542437952.db2.gz HJFMHWJNORLKNE-MRXNPFEDSA-N -1 1 299.345 3.318 20 0 CGADMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccn1C ZINC000335232242 542465998 /nfs/dbraw/zinc/46/59/98/542465998.db2.gz OQBGFWQZDVMVRI-UHFFFAOYSA-N -1 1 292.404 3.258 20 0 CGADMM CC[C@H](c1ccc(Cl)cc1)N1CC[C@H](NC(=O)[O-])C1 ZINC000739278897 572540391 /nfs/dbraw/zinc/54/03/91/572540391.db2.gz ONMAQEUGUDUDCZ-QWHCGFSZSA-N -1 1 282.771 3.133 20 0 CGADMM CO[C@H]1CCC[C@@H]1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436603591 533236751 /nfs/dbraw/zinc/23/67/51/533236751.db2.gz MANGIOCEXKMDPY-PBHICJAKSA-N -1 1 299.370 3.090 20 0 CGADMM Cc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])nc1 ZINC000048517796 392002619 /nfs/dbraw/zinc/00/26/19/392002619.db2.gz RBPIKGKTVHPCEO-UHFFFAOYSA-N -1 1 270.332 3.471 20 0 CGADMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)C(C)(F)F ZINC000293061518 392517909 /nfs/dbraw/zinc/51/79/09/392517909.db2.gz BGXHFMCIFUNKPI-LURJTMIESA-N -1 1 272.226 3.340 20 0 CGADMM O=C(c1ncccc1[O-])N1CCC[C@H]1CCc1ccccc1 ZINC000153627946 392523401 /nfs/dbraw/zinc/52/34/01/392523401.db2.gz OCHPNSGKKGVBFB-HNNXBMFYSA-N -1 1 296.370 3.025 20 0 CGADMM CC(C)(C)C[C@@H](O)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000291828683 392489941 /nfs/dbraw/zinc/48/99/41/392489941.db2.gz BOAGBMIYZUZWHP-JTQLQIEISA-N -1 1 285.771 3.171 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](C2CC2)C1 ZINC000372340436 392600234 /nfs/dbraw/zinc/60/02/34/392600234.db2.gz RXVRROXEFJNQDY-OAHLLOKOSA-N -1 1 281.355 3.418 20 0 CGADMM CCc1ccc([C@@H](C)NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000170224431 392612844 /nfs/dbraw/zinc/61/28/44/392612844.db2.gz HSFURPZWTZNNDC-LLVKDONJSA-N -1 1 294.358 3.011 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000647497933 392740871 /nfs/dbraw/zinc/74/08/71/392740871.db2.gz CKBFEDMQBJBJJU-WCQYABFASA-N -1 1 277.339 3.182 20 0 CGADMM CC[C@@H](C)[C@@H](C(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000647816813 392808447 /nfs/dbraw/zinc/80/84/47/392808447.db2.gz WLYHGFUTSYXFQY-ZWNOBZJWSA-N -1 1 287.363 3.192 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2ccccc2C)n1 ZINC000195061909 392954005 /nfs/dbraw/zinc/95/40/05/392954005.db2.gz WWEKZQXIBHDDHG-NSHDSACASA-N -1 1 274.389 3.494 20 0 CGADMM Cc1ccc2nc(-c3ccc(C)c(O)c3)[n-]c(=O)c2c1 ZINC000469044060 393173652 /nfs/dbraw/zinc/17/36/52/393173652.db2.gz RSZUIXDSWSAUPV-UHFFFAOYSA-N -1 1 266.300 3.325 20 0 CGADMM CN(C(=O)c1cncc([O-])c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416299190 393297230 /nfs/dbraw/zinc/29/72/30/393297230.db2.gz ZYNUKVHEGZTJFN-UONOGXRCSA-N -1 1 276.380 3.074 20 0 CGADMM CO[C@H](CC(C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000416181094 393276338 /nfs/dbraw/zinc/27/63/38/393276338.db2.gz RBIIKQFFIKVDJN-GFCCVEGCSA-N -1 1 271.744 3.045 20 0 CGADMM CCC(CC)(CN=c1[n-]c(C(F)(F)F)cs1)OC ZINC000488740601 393549536 /nfs/dbraw/zinc/54/95/36/393549536.db2.gz ANCSHXOKCRVWLH-UHFFFAOYSA-N -1 1 282.331 3.201 20 0 CGADMM Cc1cccc2c(=O)c(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)c[nH]c12 ZINC000430696646 393587448 /nfs/dbraw/zinc/58/74/48/393587448.db2.gz JXFTXANANQZAMU-DGCLKSJQSA-N -1 1 298.386 3.097 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)C(C)C)[nH][n-]2)s1 ZINC000500602162 393833785 /nfs/dbraw/zinc/83/37/85/393833785.db2.gz NPXBWPXDCCQSLR-JTQLQIEISA-N -1 1 277.393 3.099 20 0 CGADMM Cc1cccnc1/C=C/c1nc(-c2ccc([O-])cc2F)no1 ZINC000445460296 393796781 /nfs/dbraw/zinc/79/67/81/393796781.db2.gz PVAPOIRABUFZMD-VOTSOKGWSA-N -1 1 297.289 3.455 20 0 CGADMM CCC[C@@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483495 393798873 /nfs/dbraw/zinc/79/88/73/393798873.db2.gz WKFDXHUTDYCBGJ-MRVPVSSYSA-N -1 1 250.273 3.485 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccsc3)n2)cc1F ZINC000445476911 393799151 /nfs/dbraw/zinc/79/91/51/393799151.db2.gz JVRHFEYGXAGSDZ-UHFFFAOYSA-N -1 1 262.265 3.310 20 0 CGADMM CCCCCC(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000500861650 393841442 /nfs/dbraw/zinc/84/14/42/393841442.db2.gz UDTOVFDXUYOKQY-UHFFFAOYSA-N -1 1 277.393 3.387 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@H]1C1CCC1 ZINC000668137925 542974190 /nfs/dbraw/zinc/97/41/90/542974190.db2.gz QHRBMGYATFZYQH-HNNXBMFYSA-N -1 1 296.370 3.345 20 0 CGADMM C[C@H]1CCC[C@H](C)N1C(=O)c1ncc2ccccc2c1[O-] ZINC000668219317 542991515 /nfs/dbraw/zinc/99/15/15/542991515.db2.gz ISENAYSLKFYABV-RYUDHWBXSA-N -1 1 284.359 3.344 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000671785025 543189831 /nfs/dbraw/zinc/18/98/31/543189831.db2.gz UDGHSQVPJOEBGW-YUMQZZPRSA-N -1 1 291.244 3.448 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC=C(c2ccco2)C1 ZINC000672066847 543195454 /nfs/dbraw/zinc/19/54/54/543195454.db2.gz ONLCYHYRIDYZPC-UHFFFAOYSA-N -1 1 287.290 3.054 20 0 CGADMM C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000388614134 397690878 /nfs/dbraw/zinc/69/08/78/397690878.db2.gz HOQXJGRMLSGZAX-KOLCDFICSA-N -1 1 285.746 3.022 20 0 CGADMM CN(CCC(C)(C)C)C(=O)c1c([O-])cccc1F ZINC000399819638 397698934 /nfs/dbraw/zinc/69/89/34/397698934.db2.gz OVTMWKFDMIAVQF-UHFFFAOYSA-N -1 1 253.317 3.040 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cccc2[nH]ccc21 ZINC000674266132 543278996 /nfs/dbraw/zinc/27/89/96/543278996.db2.gz FRXGOEQYOPSCOD-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM Cc1nc(-c2ccc(N3C[C@@H](C)C[C@H]3C)nc2)[n-]c(=O)c1C ZINC000674933093 543308355 /nfs/dbraw/zinc/30/83/55/543308355.db2.gz UOWDTSPXTIGVHN-WDEREUQCSA-N -1 1 298.390 3.096 20 0 CGADMM C[C@H](CC(=O)Nc1ccc(F)cc1[O-])c1ccncc1 ZINC000676181291 543385637 /nfs/dbraw/zinc/38/56/37/543385637.db2.gz FPKFTWDOJHVQER-SNVBAGLBSA-N -1 1 274.295 3.059 20 0 CGADMM CC(=O)[C@H](C)CCCCC(=O)Nc1c([O-])cccc1F ZINC000676212007 543387217 /nfs/dbraw/zinc/38/72/17/543387217.db2.gz ZDEWPGWHFUUVMT-SNVBAGLBSA-N -1 1 281.327 3.255 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cnc(C3CC3)nc2)c([O-])c1 ZINC000677980288 543475099 /nfs/dbraw/zinc/47/50/99/543475099.db2.gz HRXQRXMDRKGYEP-UHFFFAOYSA-N -1 1 297.358 3.435 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc2ccsc2[nH]1 ZINC000678374700 543519399 /nfs/dbraw/zinc/51/93/99/543519399.db2.gz WKQIZXCMEVDYSP-UHFFFAOYSA-N -1 1 276.292 3.326 20 0 CGADMM O=C(N[C@@H]1CC=CCC1)c1ccc2ccccc2c1[O-] ZINC000080110419 287063242 /nfs/dbraw/zinc/06/32/42/287063242.db2.gz BKHDMAUCNKWAJD-CYBMUJFWSA-N -1 1 267.328 3.384 20 0 CGADMM CSC[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000092762377 165310152 /nfs/dbraw/zinc/31/01/52/165310152.db2.gz DUJHVTHOVNXJJX-SNVBAGLBSA-N -1 1 285.796 3.013 20 0 CGADMM O=C(NC[C@H]1CCCS1)c1cc2ccccc2cc1[O-] ZINC000124043957 287228967 /nfs/dbraw/zinc/22/89/67/287228967.db2.gz YKDZUJKYJJNOFW-CYBMUJFWSA-N -1 1 287.384 3.171 20 0 CGADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000035161615 172021209 /nfs/dbraw/zinc/02/12/09/172021209.db2.gz KTDMZFITOKUNFB-JTQLQIEISA-N -1 1 255.317 3.074 20 0 CGADMM O=C(c1cncc([O-])c1)N(CC1CCC1)c1ccccc1 ZINC000285360048 196260906 /nfs/dbraw/zinc/26/09/06/196260906.db2.gz SNMLSZIAHPLKFN-UHFFFAOYSA-N -1 1 282.343 3.234 20 0 CGADMM O=C(Nc1ccc(F)cc1F)c1cc(F)ccc1[O-] ZINC000128598825 287314407 /nfs/dbraw/zinc/31/44/07/287314407.db2.gz FSEHTGIEEARHTO-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM CCN(Cc1cccs1)C(=O)c1cc(F)ccc1[O-] ZINC000128622168 287315147 /nfs/dbraw/zinc/31/51/47/287315147.db2.gz KBAGIXVJVSPBMY-UHFFFAOYSA-N -1 1 279.336 3.255 20 0 CGADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1c(C)noc1C ZINC000129690325 287337299 /nfs/dbraw/zinc/33/72/99/287337299.db2.gz PTROUJAJCBUKTD-GFCCVEGCSA-N -1 1 292.310 3.017 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ccc(Cl)cn2)n1 ZINC000679182798 543597518 /nfs/dbraw/zinc/59/75/18/543597518.db2.gz AECOUNUEJUIHPH-UHFFFAOYSA-N -1 1 295.795 3.475 20 0 CGADMM O=C(Nc1cc2c(cc1Cl)OCO2)c1ccccc1[O-] ZINC000536712113 288499477 /nfs/dbraw/zinc/49/94/77/288499477.db2.gz KCMBWJGUQZCPMY-UHFFFAOYSA-N -1 1 291.690 3.027 20 0 CGADMM CCCC[C@@H](CC)CNC(=O)c1ccc([O-])c(F)c1 ZINC000681017148 543757487 /nfs/dbraw/zinc/75/74/87/543757487.db2.gz VZTDHAAGABPEKW-LLVKDONJSA-N -1 1 267.344 3.478 20 0 CGADMM CCOc1cc(F)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681018693 543757969 /nfs/dbraw/zinc/75/79/69/543757969.db2.gz IVJGQRCTCFKTDY-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1C1CCCC1 ZINC000681021813 543758304 /nfs/dbraw/zinc/75/83/04/543758304.db2.gz RKZBOZWSTVPZIJ-CQSZACIVSA-N -1 1 277.339 3.326 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1nc(C)cs1 ZINC000681041230 543759427 /nfs/dbraw/zinc/75/94/27/543759427.db2.gz CLGZQTVSKMMHOV-LLVKDONJSA-N -1 1 294.351 3.177 20 0 CGADMM O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccc([O-])c(F)c1 ZINC000681048339 543760096 /nfs/dbraw/zinc/76/00/96/543760096.db2.gz SYVOGIUYNSNRPI-UHFFFAOYSA-N -1 1 289.310 3.164 20 0 CGADMM O=C(Nc1cncc2ccccc21)c1ccc([O-])c(F)c1 ZINC000681058646 543762437 /nfs/dbraw/zinc/76/24/37/543762437.db2.gz BIJSFEANWMPGQY-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM Cc1cccc(F)c1NC(=O)c1ccc([O-])c(F)c1 ZINC000681063847 543762468 /nfs/dbraw/zinc/76/24/68/543762468.db2.gz IRKAZAMYBDRVNS-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000681057739 543762547 /nfs/dbraw/zinc/76/25/47/543762547.db2.gz BURPHZBRUKZSIG-QWRGUYRKSA-N -1 1 265.328 3.040 20 0 CGADMM CC1(C)CCC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000682388779 543839600 /nfs/dbraw/zinc/83/96/00/543839600.db2.gz ZNVKJFGHHRFKLR-LLVKDONJSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@H](CCCC(F)(F)F)NC(=O)c1ccc([O-])c(F)c1 ZINC000683183557 543902412 /nfs/dbraw/zinc/90/24/12/543902412.db2.gz SLWYWVJCOUPJAL-MRVPVSSYSA-N -1 1 293.260 3.382 20 0 CGADMM CC(=O)c1cc(C(=O)Nc2c([O-])cccc2F)ccc1C ZINC000684057215 543963741 /nfs/dbraw/zinc/96/37/41/543963741.db2.gz LBLGMVULNQYYCQ-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1cnoc1 ZINC000684423594 543998836 /nfs/dbraw/zinc/99/88/36/543998836.db2.gz OMBZHQRLVNOBFQ-UHFFFAOYSA-N -1 1 283.287 3.144 20 0 CGADMM C[C@H](C1CC1)N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871397 544034932 /nfs/dbraw/zinc/03/49/32/544034932.db2.gz IRZOMIWANUUPMP-MRVPVSSYSA-N -1 1 287.281 3.282 20 0 CGADMM O=C(CCCC1CCOCC1)Nc1c([O-])cccc1F ZINC000684977414 544049259 /nfs/dbraw/zinc/04/92/59/544049259.db2.gz ZMGGCINUEIULIX-UHFFFAOYSA-N -1 1 281.327 3.067 20 0 CGADMM COc1ccccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000132981262 287414332 /nfs/dbraw/zinc/41/43/32/287414332.db2.gz NSSOPPQFUWXTFX-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM CCCC(C)(C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000652422271 418966857 /nfs/dbraw/zinc/96/68/57/418966857.db2.gz WJJPNSZOCZMUCY-UHFFFAOYSA-N -1 1 257.280 3.435 20 0 CGADMM CC(C)N(CCC(=O)[O-])Cc1ncc(-c2cccs2)o1 ZINC000652478756 418973552 /nfs/dbraw/zinc/97/35/52/418973552.db2.gz WJJUMFCZTGOQAW-UHFFFAOYSA-N -1 1 294.376 3.088 20 0 CGADMM Cc1nc(-c2ccc(NCC3=CCCC3)nc2)[n-]c(=O)c1C ZINC000664541979 418973986 /nfs/dbraw/zinc/97/39/86/418973986.db2.gz JANXEQNOBADUSF-UHFFFAOYSA-N -1 1 296.374 3.383 20 0 CGADMM O=c1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)nc(-c2ccccc2)[nH]1 ZINC000660934832 419216077 /nfs/dbraw/zinc/21/60/77/419216077.db2.gz WBILMLCCZLUYFW-HOCLYGCPSA-N -1 1 295.386 3.224 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(C2CC2)CCOCC1 ZINC000336034292 228180303 /nfs/dbraw/zinc/18/03/03/228180303.db2.gz BFCMWYMKQZNXSS-UHFFFAOYSA-N -1 1 295.766 3.191 20 0 CGADMM CCCOc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000031604845 270026777 /nfs/dbraw/zinc/02/67/77/270026777.db2.gz IROPWHRDIJQNSQ-UHFFFAOYSA-N -1 1 271.316 3.433 20 0 CGADMM O=C(NC1CCCCC1)c1ccc(Br)cc1[O-] ZINC000044490189 270035718 /nfs/dbraw/zinc/03/57/18/270035718.db2.gz FJRFLYJIZOMJLI-UHFFFAOYSA-N -1 1 298.180 3.217 20 0 CGADMM Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3CCC[C@H]3C)n2)o1 ZINC000184038737 270057181 /nfs/dbraw/zinc/05/71/81/270057181.db2.gz IAFFKCHNBXMAMV-KOLCDFICSA-N -1 1 288.351 3.138 20 0 CGADMM C[C@H](CCNC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000229786928 270088513 /nfs/dbraw/zinc/08/85/13/270088513.db2.gz NBKFVLKKJUNDFZ-GFCCVEGCSA-N -1 1 287.334 3.455 20 0 CGADMM C[C@H]1[C@@H](C2CC2)[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000528172511 270156229 /nfs/dbraw/zinc/15/62/29/270156229.db2.gz XWHPAFRAGQWTHR-PAWXDDDFSA-N -1 1 274.295 3.341 20 0 CGADMM C[C@@H]1[C@@H](c2nc(-c3ccc([O-])cc3F)no2)[C@@H]1C1CC1 ZINC000528166879 270156278 /nfs/dbraw/zinc/15/62/78/270156278.db2.gz HWTOAPXKBBKLEZ-WCDAPOTHSA-N -1 1 274.295 3.341 20 0 CGADMM CC(C)[C@@H](CNC(=O)c1cncc([O-])c1)Cc1ccccc1 ZINC000530356289 270199211 /nfs/dbraw/zinc/19/92/11/270199211.db2.gz OSLGLOZZSTWIOE-OAHLLOKOSA-N -1 1 298.386 3.032 20 0 CGADMM COCCCCN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000397135972 288021603 /nfs/dbraw/zinc/02/16/03/288021603.db2.gz VGIMYVNKFZOBTO-UHFFFAOYSA-N -1 1 287.359 3.044 20 0 CGADMM C[C@@H]1C[C@H](NC(=O)c2ccc3ccccc3c2[O-])CS1 ZINC000397982873 288037200 /nfs/dbraw/zinc/03/72/00/288037200.db2.gz SDTUQMWNEYWNNY-PWSUYJOCSA-N -1 1 287.384 3.169 20 0 CGADMM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000111776048 278499565 /nfs/dbraw/zinc/49/95/65/278499565.db2.gz VLCHVAYWGRPOCN-KGLIPLIRSA-N -1 1 276.380 3.122 20 0 CGADMM CC(C)C[C@@H]1COCCN1Cc1cccc([O-])c1Cl ZINC000508516286 279042832 /nfs/dbraw/zinc/04/28/32/279042832.db2.gz LQZNFEQRGPKIPN-CYBMUJFWSA-N -1 1 283.799 3.293 20 0 CGADMM Cc1nc(-c2ccc(N3CCCC[C@H]3C)nc2)[n-]c(=O)c1C ZINC000301525347 279062206 /nfs/dbraw/zinc/06/22/06/279062206.db2.gz IRLFAMWBSPSIJD-LLVKDONJSA-N -1 1 298.390 3.240 20 0 CGADMM Cc1c(C(=O)Nc2cccc(F)c2[O-])cnn1C(C)(C)C ZINC000530005180 288281407 /nfs/dbraw/zinc/28/14/07/288281407.db2.gz GFDFZODANCNBSA-UHFFFAOYSA-N -1 1 291.326 3.044 20 0 CGADMM CCCCn1ncc(C(=O)Nc2cccc(F)c2[O-])c1C ZINC000530005949 288281721 /nfs/dbraw/zinc/28/17/21/288281721.db2.gz OZUYGUNKPBPDBM-UHFFFAOYSA-N -1 1 291.326 3.089 20 0 CGADMM CC(C)(CC(=O)Nc1cccc(F)c1[O-])C1CC1 ZINC000530006369 288282170 /nfs/dbraw/zinc/28/21/70/288282170.db2.gz RKUMJABKFRVSIO-UHFFFAOYSA-N -1 1 251.301 3.296 20 0 CGADMM CC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530007028 288282441 /nfs/dbraw/zinc/28/24/41/288282441.db2.gz YPTHAOCMADLDKH-NXEZZACHSA-N -1 1 251.301 3.296 20 0 CGADMM CCC(CC)n1ccc(C(=O)Nc2cccc(F)c2[O-])n1 ZINC000530007110 288282455 /nfs/dbraw/zinc/28/24/55/288282455.db2.gz XALIOZFRHHATQC-UHFFFAOYSA-N -1 1 291.326 3.341 20 0 CGADMM CC[C@H]1CCC[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530007029 288282472 /nfs/dbraw/zinc/28/24/72/288282472.db2.gz YPTHAOCMADLDKH-UWVGGRQHSA-N -1 1 251.301 3.296 20 0 CGADMM CC(C)(C)c1cc(C(=O)Nc2cccc(F)c2[O-])no1 ZINC000530007142 288282551 /nfs/dbraw/zinc/28/25/51/288282551.db2.gz YHOMECYDZYYIRU-UHFFFAOYSA-N -1 1 278.283 3.069 20 0 CGADMM Cc1ccc([C@H]2CCN(C(=O)c3ncccc3[O-])C2)c(C)c1 ZINC000280199877 280999642 /nfs/dbraw/zinc/99/96/42/280999642.db2.gz WIJLBWADVPUXBT-AWEZNQCLSA-N -1 1 296.370 3.034 20 0 CGADMM C[C@H]1CC(F)(F)CCN1Cc1csc(C(=O)[O-])c1 ZINC000530171552 288292126 /nfs/dbraw/zinc/29/21/26/288292126.db2.gz BUAUBJBGLXYXAA-QMMMGPOBSA-N -1 1 275.320 3.066 20 0 CGADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC(F)(F)CC1 ZINC000530171397 288292135 /nfs/dbraw/zinc/29/21/35/288292135.db2.gz DACWNTNTOBCTCX-NSHDSACASA-N -1 1 289.709 3.197 20 0 CGADMM CC1(C)CC[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000535070201 288437895 /nfs/dbraw/zinc/43/78/95/288437895.db2.gz AJCSYGGWDLGDGW-LBPRGKRZSA-N -1 1 293.388 3.290 20 0 CGADMM CN(C(=O)c1ccc([O-])cc1F)C1CCCCCC1 ZINC000226426815 288921830 /nfs/dbraw/zinc/92/18/30/288921830.db2.gz HFOQEGHGVGMZOH-UHFFFAOYSA-N -1 1 265.328 3.326 20 0 CGADMM O=C(Nc1cccc2cc[nH]c21)c1ccc([O-])cc1F ZINC000547819048 288978243 /nfs/dbraw/zinc/97/82/43/288978243.db2.gz UQCMBZTVPKWRFR-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM CCOc1ccccc1CSc1nc(C)c(C)c(=O)[n-]1 ZINC000558068113 289471594 /nfs/dbraw/zinc/47/15/94/289471594.db2.gz ITSYYYFNIKIBRF-UHFFFAOYSA-N -1 1 290.388 3.490 20 0 CGADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000166848880 297391465 /nfs/dbraw/zinc/39/14/65/297391465.db2.gz AGIZKODKVBABTO-VWYCJHECSA-N -1 1 265.328 3.038 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@H]1C ZINC000153782113 321727178 /nfs/dbraw/zinc/72/71/78/321727178.db2.gz SEXDJHJHCOKDDR-NXEZZACHSA-N -1 1 267.756 3.164 20 0 CGADMM CN(CC1CCC1)C(=O)c1ccc(Br)c([O-])c1 ZINC000155151941 321758464 /nfs/dbraw/zinc/75/84/64/321758464.db2.gz PQMCCIMWCNHGRZ-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM O=C(NC1(CF)CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000566284344 322113995 /nfs/dbraw/zinc/11/39/95/322113995.db2.gz UNVPJKJFLZQWAO-UHFFFAOYSA-N -1 1 291.244 3.033 20 0 CGADMM O=C(NC[C@@H]1CC2CCC1CC2)c1c(F)ccc([O-])c1F ZINC000567354802 322160251 /nfs/dbraw/zinc/16/02/51/322160251.db2.gz NYTPDORLJKBNEB-ILDUYXDCSA-N -1 1 295.329 3.227 20 0 CGADMM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H]1c1ccco1 ZINC000568062796 322191316 /nfs/dbraw/zinc/19/13/16/322191316.db2.gz PSIWTAOLIQKHAA-CQSZACIVSA-N -1 1 289.306 3.454 20 0 CGADMM Cc1cc(-c2noc(-c3ccc([O-])cc3F)n2)ccc1O ZINC000568947582 322228546 /nfs/dbraw/zinc/22/85/46/322228546.db2.gz MDQOUVQVBVEUES-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\[C@@H]3CCOC3)n2)c(Cl)c1 ZINC000569197579 322239002 /nfs/dbraw/zinc/23/90/02/322239002.db2.gz QLKDVCBQOHHDMX-RZXPJHQTSA-N -1 1 292.722 3.145 20 0 CGADMM O=C([O-])c1occc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000569934689 322261121 /nfs/dbraw/zinc/26/11/21/322261121.db2.gz LZMWCNWTDLCHSL-AWEZNQCLSA-N -1 1 289.306 3.454 20 0 CGADMM CCCCc1nc(CN(CCC(=O)[O-])CC(C)C)cs1 ZINC000570338544 322271308 /nfs/dbraw/zinc/27/13/08/322271308.db2.gz XQASGGMGLLTSDA-UHFFFAOYSA-N -1 1 298.452 3.418 20 0 CGADMM CCCCc1nc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cs1 ZINC000570395219 322272431 /nfs/dbraw/zinc/27/24/31/322272431.db2.gz HHIXPBHPTWPFQN-VXGBXAGGSA-N -1 1 296.436 3.171 20 0 CGADMM COc1ccccc1CCCSc1ncc(C)c(=O)[n-]1 ZINC000570464296 322274312 /nfs/dbraw/zinc/27/43/12/322274312.db2.gz OLIIHLMTMNBORD-UHFFFAOYSA-N -1 1 290.388 3.224 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2c(F)ccc([O-])c2F)[C@@H]1C ZINC000571206040 322292989 /nfs/dbraw/zinc/29/29/89/322292989.db2.gz IPOWWLUWNALJEL-GMTAPVOTSA-N -1 1 297.345 3.473 20 0 CGADMM CCc1noc(C)c1CSc1nc(CC)c(C)c(=O)[n-]1 ZINC000571938855 322312579 /nfs/dbraw/zinc/31/25/79/322312579.db2.gz HHURKFZADQHVOS-UHFFFAOYSA-N -1 1 293.392 3.204 20 0 CGADMM Cc1nc(SCC(=O)CC(C)(C)C2CC2)[n-]c(=O)c1C ZINC000572811744 322355997 /nfs/dbraw/zinc/35/59/97/322355997.db2.gz MSKKJSFHEVYUCT-UHFFFAOYSA-N -1 1 294.420 3.287 20 0 CGADMM CCCCc1nc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)cs1 ZINC000584231921 327070986 /nfs/dbraw/zinc/07/09/86/327070986.db2.gz WQPYNAISUITKOG-DGCLKSJQSA-N -1 1 296.436 3.028 20 0 CGADMM CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000583606235 328634738 /nfs/dbraw/zinc/63/47/38/328634738.db2.gz ONTCGIGQMIQOSR-STQMWFEESA-N -1 1 293.388 3.003 20 0 CGADMM [O-]c1ccc(-c2noc(C[C@@H]3C=CCCC3)n2)c(F)c1 ZINC000583051058 329303642 /nfs/dbraw/zinc/30/36/42/329303642.db2.gz XMCBRGTUGAPWKV-SNVBAGLBSA-N -1 1 274.295 3.480 20 0 CGADMM O=C(Nc1ccc(F)cc1F)c1ccc([O-])cc1F ZINC000181830585 335787301 /nfs/dbraw/zinc/78/73/01/335787301.db2.gz JZFLRYTVQVXZIS-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000581761055 336143207 /nfs/dbraw/zinc/14/32/07/336143207.db2.gz WJDKMRYDCKULCW-RYUDHWBXSA-N -1 1 293.388 3.147 20 0 CGADMM Cc1cc(Cl)ccc1NC(=O)c1cncc([O-])c1 ZINC000082324928 533785558 /nfs/dbraw/zinc/78/55/58/533785558.db2.gz VNJBQSVJUDZIBY-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM Cc1c(NC(=O)c2cncc([O-])c2)cccc1-c1ncco1 ZINC000359124546 533920714 /nfs/dbraw/zinc/92/07/14/533920714.db2.gz SLMLBBVTJPVZQT-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM O=C(NC[C@H]1CCCC(F)(F)C1)c1c([O-])cccc1F ZINC000436493360 534636174 /nfs/dbraw/zinc/63/61/74/534636174.db2.gz FOIBNPPXJNRUDK-VIFPVBQESA-N -1 1 287.281 3.087 20 0 CGADMM O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000436843142 534719684 /nfs/dbraw/zinc/71/96/84/534719684.db2.gz GSRGUQFEOZXNCB-JTQLQIEISA-N -1 1 293.672 3.116 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000087777613 526679904 /nfs/dbraw/zinc/67/99/04/526679904.db2.gz KPCCSMCKUHUBQI-GWCFXTLKSA-N -1 1 279.767 3.450 20 0 CGADMM CCOc1ccc(NC(=O)c2ccc([O-])cc2F)c(C)c1 ZINC000162434010 528551744 /nfs/dbraw/zinc/55/17/44/528551744.db2.gz OPZXLDSRYARBRR-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM CCCCOc1ccc(C(=O)Nc2ccccn2)c([O-])c1 ZINC000436971154 528668074 /nfs/dbraw/zinc/66/80/74/528668074.db2.gz ILVIZCZCFXCMRZ-UHFFFAOYSA-N -1 1 286.331 3.218 20 0 CGADMM CCCc1nc(C)c(NC(=O)c2ccc(O)cc2[O-])s1 ZINC000436707626 528741295 /nfs/dbraw/zinc/74/12/95/528741295.db2.gz XZGHAXXAFDCMTH-UHFFFAOYSA-N -1 1 292.360 3.068 20 0 CGADMM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2cncc([O-])c2)C1 ZINC000425118624 529142684 /nfs/dbraw/zinc/14/26/84/529142684.db2.gz LXQQAXUIJNIRQV-INIZCTEOSA-N -1 1 296.370 3.401 20 0 CGADMM CCCN(C(=O)c1ncccc1[O-])[C@H]1CCc2ccccc21 ZINC000494831402 535244676 /nfs/dbraw/zinc/24/46/76/535244676.db2.gz HRKRFMAFSSZJCU-HNNXBMFYSA-N -1 1 296.370 3.327 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2C[C@H]2C2CCCCC2)s[n-]1 ZINC000509540737 536499333 /nfs/dbraw/zinc/49/93/33/536499333.db2.gz IOXXCCREORGMLO-ADEWGFFLSA-N -1 1 281.425 3.048 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H]2C[C@H]2C2CCCCC2)s[n-]1 ZINC000509540739 536500018 /nfs/dbraw/zinc/50/00/18/536500018.db2.gz IOXXCCREORGMLO-USWWRNFRSA-N -1 1 281.425 3.048 20 0 CGADMM CCc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)o1 ZINC000051723642 571887425 /nfs/dbraw/zinc/88/74/25/571887425.db2.gz AXLXKWZROBKCJL-LBPRGKRZSA-N -1 1 279.361 3.209 20 0 CGADMM CC1(C(=O)[O-])CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000161388369 572339036 /nfs/dbraw/zinc/33/90/36/572339036.db2.gz YBGVXYVMPDOFCN-UHFFFAOYSA-N -1 1 285.746 3.166 20 0 CGADMM CN(Cc1ccccc1F)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737492447 572347584 /nfs/dbraw/zinc/34/75/84/572347584.db2.gz SJOKIEGNMNMERK-OAHLLOKOSA-N -1 1 291.297 3.223 20 0 CGADMM CC[C@H](C)CN(C)C(=O)c1c([O-])cccc1Cl ZINC000732291779 572458873 /nfs/dbraw/zinc/45/88/73/572458873.db2.gz NYBXYVIKWYMETF-VIFPVBQESA-N -1 1 255.745 3.164 20 0 CGADMM CCC[C@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736422441 572789355 /nfs/dbraw/zinc/78/93/55/572789355.db2.gz HZXYSIAYBKTFOE-JTQLQIEISA-N -1 1 282.351 3.015 20 0 CGADMM CCC[C@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736422441 572789359 /nfs/dbraw/zinc/78/93/59/572789359.db2.gz HZXYSIAYBKTFOE-JTQLQIEISA-N -1 1 282.351 3.015 20 0 CGADMM O=C(NCc1cccc(F)n1)c1ccc2ccccc2c1[O-] ZINC000749165763 572990230 /nfs/dbraw/zinc/99/02/30/572990230.db2.gz JABHQYIDMGCWQV-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=C([O-])c1cccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)c1 ZINC000821553028 598194284 /nfs/dbraw/zinc/19/42/84/598194284.db2.gz UTFOSIMMCHAKDW-UHFFFAOYSA-N -1 1 291.734 3.034 20 0 CGADMM O=C([O-])[C@@H](c1ccccc1F)N1CC[C@H](c2ccco2)C1 ZINC000833173261 601008109 /nfs/dbraw/zinc/00/81/09/601008109.db2.gz PUJOVPNUKDRVKX-XHDPSFHLSA-N -1 1 289.306 3.034 20 0 CGADMM Cc1[n-]n(-c2ncc(Cl)cc2Cl)c(=O)c1C(C)C ZINC000899346318 620647470 /nfs/dbraw/zinc/64/74/70/620647470.db2.gz JBLVSPFOMGXSPP-SNVBAGLBSA-N -1 1 286.162 3.383 20 0 CGADMM C[C@H]1CN(Cc2c(Cl)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000251531281 601515226 /nfs/dbraw/zinc/51/52/26/601515226.db2.gz AITFSKLAUDSWMV-DTWKUNHWSA-N -1 1 288.174 3.146 20 0 CGADMM C[C@@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828516589 601643247 /nfs/dbraw/zinc/64/32/47/601643247.db2.gz NYGPYRQWUFZRFM-GFCCVEGCSA-N -1 1 299.345 3.471 20 0 CGADMM CN(Cc1ccsc1C(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000830825290 601806566 /nfs/dbraw/zinc/80/65/66/601806566.db2.gz OHUQDMRQSSCJIZ-UHFFFAOYSA-N -1 1 297.326 3.357 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])s1)Cc1cccc(F)c1 ZINC000109601545 601936067 /nfs/dbraw/zinc/93/60/67/601936067.db2.gz YSMOSLRQAQZDBI-UHFFFAOYSA-N -1 1 279.336 3.217 20 0 CGADMM CCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)[O-] ZINC000827099492 603508229 /nfs/dbraw/zinc/50/82/29/603508229.db2.gz OVEQEXDLELFKAX-UHFFFAOYSA-N -1 1 294.370 3.038 20 0 CGADMM CC(C)[C@H]1CCc2[n-]n(C3C[C@@H](C)O[C@H](C)C3)c(=O)c2C1 ZINC000899361412 620667691 /nfs/dbraw/zinc/66/76/91/620667691.db2.gz VMMVERBBDNIYIF-GUIRCDHDSA-N -1 1 292.423 3.213 20 0 CGADMM CCCC[C@H](CCC)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900956262 620823377 /nfs/dbraw/zinc/82/33/77/620823377.db2.gz UWUBFSKERYHJDT-LBPRGKRZSA-N -1 1 291.395 3.148 20 0 CGADMM Cc1ccc(Cl)cc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000899362536 620670029 /nfs/dbraw/zinc/67/00/29/620670029.db2.gz WQEKNJQJIDMWGW-NOZJJQNGSA-N -1 1 262.740 3.397 20 0 CGADMM CC[C@H](C)[C@H](N[C@@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000828739925 604407187 /nfs/dbraw/zinc/40/71/87/604407187.db2.gz SZIQGPWOIFXKIZ-KWBADKCTSA-N -1 1 292.404 3.446 20 0 CGADMM CC(C)C[C@@H](N[C@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000043432426 604407409 /nfs/dbraw/zinc/40/74/09/604407409.db2.gz FUPMCOJHXGPQDE-ZYHUDNBSSA-N -1 1 292.404 3.446 20 0 CGADMM CC(C)N(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1F ZINC000833496942 604534968 /nfs/dbraw/zinc/53/49/68/604534968.db2.gz SGBYSILYMHRFBC-UHFFFAOYSA-N -1 1 290.338 3.263 20 0 CGADMM O=C([O-])Nc1cccc(NCc2[nH]nc3ccccc32)c1 ZINC000833290521 604645561 /nfs/dbraw/zinc/64/55/61/604645561.db2.gz VUTAMYBSRTXTLC-UHFFFAOYSA-N -1 1 282.303 3.265 20 0 CGADMM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccccc1Cl ZINC000827716801 604985256 /nfs/dbraw/zinc/98/52/56/604985256.db2.gz BCEOWEKACSCLLM-QMTHXVAHSA-N -1 1 290.750 3.212 20 0 CGADMM CCC(CC)(CN[C@@H](C)c1nc(C)sc1C)NC(=O)[O-] ZINC000826561396 605510628 /nfs/dbraw/zinc/51/06/28/605510628.db2.gz XTJMXOARWGEQGM-VIFPVBQESA-N -1 1 299.440 3.237 20 0 CGADMM CC[C@@H](C)CSc1snc(Cl)c1-c1nnn[n-]1 ZINC000825067954 608188726 /nfs/dbraw/zinc/18/87/26/608188726.db2.gz OEAUCIWTMNZGKD-RXMQYKEDSA-N -1 1 289.817 3.115 20 0 CGADMM CC[C@@H](C)CSc1snc(Cl)c1-c1nn[n-]n1 ZINC000825067954 608188727 /nfs/dbraw/zinc/18/87/27/608188727.db2.gz OEAUCIWTMNZGKD-RXMQYKEDSA-N -1 1 289.817 3.115 20 0 CGADMM Cc1sc([C@@H](C)NCc2ccc(C)cc2)nc1C(=O)[O-] ZINC000900074978 620755738 /nfs/dbraw/zinc/75/57/38/620755738.db2.gz GURYRZKJTQZSFE-SNVBAGLBSA-N -1 1 290.388 3.309 20 0 CGADMM Cc1ccsc1CN[C@H](C)c1nc(C(=O)[O-])c(C)s1 ZINC000900074986 620755952 /nfs/dbraw/zinc/75/59/52/620755952.db2.gz GZXODOSIJNAQPP-MRVPVSSYSA-N -1 1 296.417 3.370 20 0 CGADMM O=C(NCCc1cccc(F)c1)c1c([O-])cccc1Cl ZINC000049086919 618057494 /nfs/dbraw/zinc/05/74/94/618057494.db2.gz NUVSOTSNTLKBPB-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM Cc1ccc2c(c1)[C@@H]([N-]C(=O)C(F)(F)F)CCC2 ZINC000179371165 618777389 /nfs/dbraw/zinc/77/73/89/618777389.db2.gz SMPHSYBZWULTNB-NSHDSACASA-N -1 1 257.255 3.051 20 0 CGADMM Cc1cc(Cl)ccc1CN1CCSC[C@H]1CC(=O)[O-] ZINC000235786791 618826097 /nfs/dbraw/zinc/82/60/97/618826097.db2.gz TWSYYBGCCWNVGH-CYBMUJFWSA-N -1 1 299.823 3.041 20 0 CGADMM O=C(Nc1ccnn1C1CCCC1)c1cc(F)ccc1[O-] ZINC000094090737 619228763 /nfs/dbraw/zinc/22/87/63/619228763.db2.gz GASNLAQJPNONBH-UHFFFAOYSA-N -1 1 289.310 3.095 20 0 CGADMM CCCC[C@H](CC)C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000067070302 619316176 /nfs/dbraw/zinc/31/61/76/619316176.db2.gz UCGZSNYANUZNAD-JTQLQIEISA-N -1 1 296.440 3.108 20 0 CGADMM C[C@H]1CCCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895462930 619834008 /nfs/dbraw/zinc/83/40/08/619834008.db2.gz YFCKVYNKMWCEDI-NSHDSACASA-N -1 1 285.343 3.266 20 0 CGADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000895464923 619834677 /nfs/dbraw/zinc/83/46/77/619834677.db2.gz KQWVJDHWROTEBE-TXEJJXNPSA-N -1 1 299.370 3.369 20 0 CGADMM CN(CCC(=O)[O-])c1ccnc2cc(C(F)(F)F)ccc21 ZINC000263405413 620316913 /nfs/dbraw/zinc/31/69/13/620316913.db2.gz KLSVXECEXJASNI-UHFFFAOYSA-N -1 1 298.264 3.165 20 0 CGADMM CCSCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000865373026 620395564 /nfs/dbraw/zinc/39/55/64/620395564.db2.gz CGPHDCYSSSAWAH-UHFFFAOYSA-N -1 1 256.396 3.171 20 0 CGADMM CO[C@@H](CN[C@H](C(=O)[O-])c1cccs1)C1CCCCC1 ZINC000901597077 620948509 /nfs/dbraw/zinc/94/85/09/620948509.db2.gz FSKNAZGMKINNJQ-JSGCOSHPSA-N -1 1 297.420 3.059 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CNCc2cc(C(=O)[O-])cs2)o1 ZINC000902108033 621138525 /nfs/dbraw/zinc/13/85/25/621138525.db2.gz IVVLRFPHFLZYSW-ZANVPECISA-N -1 1 291.372 3.453 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CNCc2csc(C(=O)[O-])c2)o1 ZINC000902108849 621138852 /nfs/dbraw/zinc/13/88/52/621138852.db2.gz LXVLGXYXQHNWDV-JOYOIKCWSA-N -1 1 291.372 3.453 20 0 CGADMM CC(C)(C)c1ccc(CNCc2cccc(C(=O)[O-])n2)cc1 ZINC000902097490 621147315 /nfs/dbraw/zinc/14/73/15/621147315.db2.gz MTCRMXAJHVEYPK-UHFFFAOYSA-N -1 1 298.386 3.367 20 0 CGADMM Cc1cccc2c1CC[C@H]2NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902230515 621203373 /nfs/dbraw/zinc/20/33/73/621203373.db2.gz DSVNKUVSXAOZHI-CGQZWFTASA-N -1 1 297.354 3.463 20 0 CGADMM Cc1cccc([C@@H](C)NCc2cccc(C(=O)[O-])n2)c1C ZINC000902268726 621233660 /nfs/dbraw/zinc/23/36/60/621233660.db2.gz HMGNVIVMAQBHOQ-CYBMUJFWSA-N -1 1 284.359 3.247 20 0 CGADMM O=C([O-])c1csc(CN[C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000902340642 621253511 /nfs/dbraw/zinc/25/35/11/621253511.db2.gz HOXZXELEJWELCY-HIFRSBDPSA-N -1 1 291.347 3.173 20 0 CGADMM CC[C@H](NCc1csc(C(=O)[O-])c1)c1c(C)noc1C ZINC000902426495 621313941 /nfs/dbraw/zinc/31/39/41/621313941.db2.gz YNNYVIKSNYWVSZ-NSHDSACASA-N -1 1 294.376 3.292 20 0 CGADMM O=C([O-])c1ccc(CN[C@@H]2C[C@@]2(F)c2ccccc2)s1 ZINC000903690284 621789499 /nfs/dbraw/zinc/78/94/99/621789499.db2.gz ATHNECFKPPQYSG-UKRRQHHQSA-N -1 1 291.347 3.173 20 0 CGADMM CCc1ccc(CN[C@H](CCCC(C)C)C(=O)[O-])o1 ZINC000904038324 621857530 /nfs/dbraw/zinc/85/75/30/621857530.db2.gz IZSYGRFRUBVWCT-CQSZACIVSA-N -1 1 267.369 3.211 20 0 CGADMM Cc1ccsc1CN[C@H](C(=O)[O-])c1cccc(C)c1 ZINC000904263397 621894326 /nfs/dbraw/zinc/89/43/26/621894326.db2.gz WZMNAVRKDYJEAM-AWEZNQCLSA-N -1 1 275.373 3.280 20 0 CGADMM Cc1cc(F)ccc1[C@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000905726808 622100958 /nfs/dbraw/zinc/10/09/58/622100958.db2.gz GWUZESYVBFFXEW-JTQLQIEISA-N -1 1 277.295 3.276 20 0 CGADMM C[C@H]1CC[C@H](C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909985381 622441948 /nfs/dbraw/zinc/44/19/48/622441948.db2.gz JHYNYPBCSBPRQA-YUMQZZPRSA-N -1 1 255.264 3.045 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCCC(F)(F)C1 ZINC000909987011 622442661 /nfs/dbraw/zinc/44/26/61/622442661.db2.gz YOLSJLHDZYEIGF-ZETCQYMHSA-N -1 1 291.244 3.434 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C1CCC(F)(F)CC1 ZINC000909983707 622444992 /nfs/dbraw/zinc/44/49/92/622444992.db2.gz ARRUKGVEHQOLLK-UHFFFAOYSA-N -1 1 291.244 3.434 20 0 CGADMM C[C@]1(C(=O)Nc2cc([O-])c(F)cc2F)CC=CCC1 ZINC000909987891 622445280 /nfs/dbraw/zinc/44/52/80/622445280.db2.gz MYKKZGJVWIHWOF-AWEZNQCLSA-N -1 1 267.275 3.355 20 0 CGADMM O=C(C[C@@H]1CCC2(CCC2)O1)Nc1cc(F)cc(F)c1[O-] ZINC000910990756 622514027 /nfs/dbraw/zinc/51/40/27/622514027.db2.gz KGVQXXCNBGDBLL-JTQLQIEISA-N -1 1 297.301 3.101 20 0 CGADMM CC(C)(C)c1nc(C(=O)Nc2cc(F)cc(F)c2[O-])co1 ZINC000910990799 622514062 /nfs/dbraw/zinc/51/40/62/622514062.db2.gz LXJJSVZNTHFYRO-UHFFFAOYSA-N -1 1 296.273 3.208 20 0 CGADMM CCO[C@H](C(=O)Nc1cc(F)cc(F)c1[O-])C1CCCC1 ZINC000910991389 622514459 /nfs/dbraw/zinc/51/44/59/622514459.db2.gz PRXYWYCYBNMQGV-AWEZNQCLSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1(C2CC2)CCC1 ZINC000913270568 622754586 /nfs/dbraw/zinc/75/45/86/622754586.db2.gz DNDCHBOUUQEWAM-UHFFFAOYSA-N -1 1 297.358 3.097 20 0 CGADMM O=C([O-])c1cccc2c1CCN(Cc1ccsc1)C2 ZINC000168592509 623009295 /nfs/dbraw/zinc/00/92/95/623009295.db2.gz CMLWQGAOODASNY-UHFFFAOYSA-N -1 1 273.357 3.005 20 0 CGADMM O=C(NC[C@@H]1C=CCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000914284142 623701507 /nfs/dbraw/zinc/70/15/07/623701507.db2.gz DQAKNQYHKRSUNA-SECBINFHSA-N -1 1 285.265 3.107 20 0 CGADMM Cc1c(=O)[n-]c(S[C@@H](C)[C@H](C)O)nc1-c1ccccc1 ZINC000917468124 624274537 /nfs/dbraw/zinc/27/45/37/624274537.db2.gz JCYKUWGPLWYRKM-QWRGUYRKSA-N -1 1 290.388 3.019 20 0 CGADMM CCOCCO[N-]C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000184788635 625270125 /nfs/dbraw/zinc/27/01/25/625270125.db2.gz HLCXALSCRAUABP-CYBMUJFWSA-N -1 1 287.359 3.028 20 0 CGADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000866975833 625846042 /nfs/dbraw/zinc/84/60/42/625846042.db2.gz DHQBQJZSVIBUHH-DQDDRIPDSA-N -1 1 274.295 3.341 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(C)=C2CCC2)c1 ZINC000838236699 626202487 /nfs/dbraw/zinc/20/24/87/626202487.db2.gz RUOLSMDEEIGMLS-UHFFFAOYSA-N -1 1 288.343 3.181 20 0 CGADMM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)[N-]OCC(F)F ZINC000754313123 626567184 /nfs/dbraw/zinc/56/71/84/626567184.db2.gz XFLGXUKYPSQPMX-QWRGUYRKSA-N -1 1 283.318 3.289 20 0 CGADMM CC(C)CSCCNC(=O)c1c([O-])cccc1Cl ZINC000756810922 626734281 /nfs/dbraw/zinc/73/42/81/626734281.db2.gz VYEXLEKGKPTUFR-UHFFFAOYSA-N -1 1 287.812 3.165 20 0 CGADMM CCc1ccc([C@H](C)CC(=O)[N-]OCC(F)F)cc1 ZINC000759322040 626887252 /nfs/dbraw/zinc/88/72/52/626887252.db2.gz GXLXJCCJTGAIHN-SNVBAGLBSA-N -1 1 271.307 3.056 20 0 CGADMM C/C(=C\C(=O)Nc1c([O-])cccc1F)C(C)(C)C ZINC000762805708 627125445 /nfs/dbraw/zinc/12/54/45/627125445.db2.gz OJVNHAOQODFTIC-CMDGGOBGSA-N -1 1 251.301 3.462 20 0 CGADMM CCN(CC(C)C)C(=O)c1c([O-])cccc1Cl ZINC000763775577 627177046 /nfs/dbraw/zinc/17/70/46/627177046.db2.gz HZPTUXYUTVXOHB-UHFFFAOYSA-N -1 1 255.745 3.164 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)Cc2ccccc21 ZINC000767295473 627397197 /nfs/dbraw/zinc/39/71/97/627397197.db2.gz JHPYVCDWFGIKAL-LLVKDONJSA-N -1 1 285.318 3.291 20 0 CGADMM CC/C=C\CCOC(=O)c1c([O-])cc(F)cc1F ZINC000767530175 627415719 /nfs/dbraw/zinc/41/57/19/627415719.db2.gz YEWUYGKPWMQMJN-ARJAWSKDSA-N -1 1 256.248 3.184 20 0 CGADMM C[C@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769602430 627568807 /nfs/dbraw/zinc/56/88/07/627568807.db2.gz MSTMSPCIUFEFGY-ONGXEEELSA-N -1 1 267.756 3.354 20 0 CGADMM CCC[C@H](CC)NC(=O)c1c([O-])cccc1Cl ZINC000769727609 627574773 /nfs/dbraw/zinc/57/47/73/627574773.db2.gz LVUAQZNNEGCCOP-VIFPVBQESA-N -1 1 255.745 3.354 20 0 CGADMM O=C(NC1(c2ccccc2)CC1)c1c([O-])cccc1Cl ZINC000769752814 627576044 /nfs/dbraw/zinc/57/60/44/627576044.db2.gz KMIMCLVOFPQZKU-UHFFFAOYSA-N -1 1 287.746 3.465 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)[C@H]1C ZINC000769920275 627589857 /nfs/dbraw/zinc/58/98/57/627589857.db2.gz XNNIFFDUDHHGSN-ZJUUUORDSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCCC2(CC2)C1 ZINC000771658720 627725595 /nfs/dbraw/zinc/72/55/95/627725595.db2.gz UQJKBQXVXNBSDV-UHFFFAOYSA-N -1 1 265.740 3.062 20 0 CGADMM Cc1cccnc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776449606 628212077 /nfs/dbraw/zinc/21/20/77/628212077.db2.gz YUFCIKSKYCJJNY-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM CC[C@H](C)N(OC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776490254 628214521 /nfs/dbraw/zinc/21/45/21/628214521.db2.gz VCVBYXGAQBPQAY-QMMMGPOBSA-N -1 1 291.269 3.213 20 0 CGADMM C[C@H](OC(=O)c1cn[n-]n1)c1ccc(Cl)cc1Cl ZINC000805604733 628341291 /nfs/dbraw/zinc/34/12/91/628341291.db2.gz QBGQVHWOSGFRRP-LURJTMIESA-N -1 1 286.118 3.030 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2occc2[nH]1 ZINC000780992435 628528732 /nfs/dbraw/zinc/52/87/32/628528732.db2.gz UYUZADPYFGUQHH-UHFFFAOYSA-N -1 1 276.679 3.372 20 0 CGADMM CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1c([O-])cccc1F ZINC000793734857 629498882 /nfs/dbraw/zinc/49/88/82/629498882.db2.gz CWVDLAIKZZTMOD-GHMZBOCLSA-N -1 1 283.343 3.047 20 0 CGADMM CO[C@@]1(C)CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000794179088 629520300 /nfs/dbraw/zinc/52/03/00/629520300.db2.gz HLBYOSUSBJEIFM-HNNXBMFYSA-N -1 1 297.782 3.077 20 0 CGADMM O=C(C=C1CCCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863475682 629583176 /nfs/dbraw/zinc/58/31/76/629583176.db2.gz OIBVDFKBXOVQJS-UHFFFAOYSA-N -1 1 283.331 3.017 20 0 CGADMM Cc1sc(C)c2c1[n-]c(Cc1cnccc1C)nc2=O ZINC000864354222 629817951 /nfs/dbraw/zinc/81/79/51/629817951.db2.gz ASHNEASDKPMZMK-UHFFFAOYSA-N -1 1 285.372 3.308 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCSC[C@H]1C1CC1 ZINC000836859778 634817841 /nfs/dbraw/zinc/81/78/41/634817841.db2.gz RRTMKSYTQJEATR-NSHDSACASA-N -1 1 297.807 3.013 20 0 CGADMM CCC[C@@H]1C[C@H]1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000812637031 631287637 /nfs/dbraw/zinc/28/76/37/631287637.db2.gz YVQDIOXASMOALG-UKRRQHHQSA-N -1 1 290.359 3.117 20 0 CGADMM C[C@@H](C(=O)[N-]OC1CCC1)c1ccc(Br)cc1 ZINC000812796760 631314682 /nfs/dbraw/zinc/31/46/82/631314682.db2.gz YXQZYMBNFLXEMZ-SECBINFHSA-N -1 1 298.180 3.153 20 0 CGADMM C[C@@H]1CC/C(=C\C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000837086821 634851888 /nfs/dbraw/zinc/85/18/88/634851888.db2.gz TYFFYSBKMPBHNP-KGOFQHAKSA-N -1 1 267.275 3.355 20 0 CGADMM C[C@H](CC(=O)Nc1ccc([O-])c(F)c1F)C1CC1 ZINC000837087186 634852004 /nfs/dbraw/zinc/85/20/04/634852004.db2.gz JJAISOAGRFOUJC-SSDOTTSWSA-N -1 1 255.264 3.045 20 0 CGADMM O=C(C=C1CCCCC1)Nc1ccc([O-])c(F)c1F ZINC000837087191 634852262 /nfs/dbraw/zinc/85/22/62/634852262.db2.gz KBQJEPIAZHUQPH-UHFFFAOYSA-N -1 1 267.275 3.499 20 0 CGADMM CCOC(=O)[C@@H](NCc1cccc([O-])c1Cl)C(C)(C)C ZINC000816570245 632016245 /nfs/dbraw/zinc/01/62/45/632016245.db2.gz NRTLWNYHQDQZRS-CYBMUJFWSA-N -1 1 299.798 3.113 20 0 CGADMM CC[C@@H](C)CONC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000816975843 632066341 /nfs/dbraw/zinc/06/63/41/632066341.db2.gz QHCUDYGVVDQQRN-MRVPVSSYSA-N -1 1 291.269 3.119 20 0 CGADMM CC[C@@H](C)CONC(=O)c1cc2ccccc2cc1[O-] ZINC000816979777 632068171 /nfs/dbraw/zinc/06/81/71/632068171.db2.gz WXKKDKCXYIPGME-LLVKDONJSA-N -1 1 273.332 3.253 20 0 CGADMM CC[C@@H](C)CONC(=O)c1ccc2ccccc2c1[O-] ZINC000816979126 632068914 /nfs/dbraw/zinc/06/89/14/632068914.db2.gz INYSUQKGGQEGPS-LLVKDONJSA-N -1 1 273.332 3.253 20 0 CGADMM CC(C)Cc1cccc([C@H](C)C(=O)[N-]OCC2CC2)c1 ZINC000817330034 632123164 /nfs/dbraw/zinc/12/31/64/632123164.db2.gz ICTFOMHRWRWINO-ZDUSSCGKSA-N -1 1 275.392 3.446 20 0 CGADMM CON(C(=O)c1ccccc1[O-])[C@@H](C)c1ccccc1C ZINC000820030124 632562237 /nfs/dbraw/zinc/56/22/37/632562237.db2.gz ZWTLGOXDWPKXMP-ZDUSSCGKSA-N -1 1 285.343 3.465 20 0 CGADMM COc1cnc(C=Cc2sccc2Cl)[n-]c1=O ZINC000821007101 632710516 /nfs/dbraw/zinc/71/05/16/632710516.db2.gz CLWWEOCBQNVWEL-IHWYPQMZSA-N -1 1 268.725 3.076 20 0 CGADMM CC(C)(C)c1nc(C(=O)Nc2ccc(F)cc2[O-])co1 ZINC000821344496 632756069 /nfs/dbraw/zinc/75/60/69/632756069.db2.gz UZCAEJXJZFXVEK-UHFFFAOYSA-N -1 1 278.283 3.069 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC2(CCCC2)C1 ZINC000866184980 633021402 /nfs/dbraw/zinc/02/14/02/633021402.db2.gz JZNJRBSYBSDRKZ-UHFFFAOYSA-N -1 1 293.794 3.381 20 0 CGADMM CC(C)[C@H]1C[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])CCO1 ZINC000822971656 633044186 /nfs/dbraw/zinc/04/41/86/633044186.db2.gz HHQTYUPCNGIAAU-NOZJJQNGSA-N -1 1 299.317 3.060 20 0 CGADMM CCC(C)(C)C(=O)COC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869735119 633502031 /nfs/dbraw/zinc/50/20/31/633502031.db2.gz ONXSLJVBABSWLT-UHFFFAOYSA-N -1 1 298.766 3.137 20 0 CGADMM C[C@@H](C(=O)[N-]OCCCC(F)(F)F)c1ccccc1F ZINC000871213704 633729152 /nfs/dbraw/zinc/72/91/52/633729152.db2.gz VNUZJGSPAJFOSL-SECBINFHSA-N -1 1 293.260 3.320 20 0 CGADMM CCc1nc(SC[C@H]2CC3(CCC3)CO2)[n-]c(=O)c1C ZINC000871676538 633820441 /nfs/dbraw/zinc/82/04/41/633820441.db2.gz ZBAFDPZCUOUHCH-LLVKDONJSA-N -1 1 294.420 3.104 20 0 CGADMM CC[C@@H](C)N(OC)C(=O)c1ccc2ccccc2c1[O-] ZINC000830474879 633865497 /nfs/dbraw/zinc/86/54/97/633865497.db2.gz PHZZQTRTLXQLNM-LLVKDONJSA-N -1 1 273.332 3.348 20 0 CGADMM O=C([O-])c1ccccc1-n1[nH]c2c(c1=O)CCCCCC2 ZINC000871948228 633923270 /nfs/dbraw/zinc/92/32/70/633923270.db2.gz LKRZGZDAHWLHCU-LLVKDONJSA-N -1 1 286.331 3.058 20 0 CGADMM CCCCc1cc(=O)n(-c2ccnc(Br)c2)[n-]1 ZINC000871952489 633925691 /nfs/dbraw/zinc/92/56/91/633925691.db2.gz CTDYAOBPUBFXTK-UHFFFAOYSA-N -1 1 296.168 3.127 20 0 CGADMM Cc1[n-]n(-c2ncnc(Cl)c2C(C)C)c(=O)c1C1CC1 ZINC000871957505 633926683 /nfs/dbraw/zinc/92/66/83/633926683.db2.gz VDXPGHCHXJEUQQ-NSHDSACASA-N -1 1 292.770 3.002 20 0 CGADMM CCc1[n-]n(-c2nc(F)ccc2Cl)c(=O)c1C(C)C ZINC000871958845 633928037 /nfs/dbraw/zinc/92/80/37/633928037.db2.gz KZNWRNQSURTCMG-NSHDSACASA-N -1 1 283.734 3.259 20 0 CGADMM CC(C)CCc1cc(=O)n(-c2ccc(C(=O)[O-])cc2F)[nH]1 ZINC000871958518 633928054 /nfs/dbraw/zinc/92/80/54/633928054.db2.gz IANOORJNIDIGPD-UHFFFAOYSA-N -1 1 292.310 3.053 20 0 CGADMM O=c1c2c([n-]n1C[C@@H]1CCCC1(F)F)CCCCC2 ZINC000871962466 633929208 /nfs/dbraw/zinc/92/92/08/633929208.db2.gz CEDGEMJOXILGNR-WDEREUQCSA-N -1 1 270.323 3.200 20 0 CGADMM Cc1c(=O)n(C[C@@H]2CCCC2(F)F)[n-]c1-c1ccccc1 ZINC000871964088 633930933 /nfs/dbraw/zinc/93/09/33/633930933.db2.gz WCBVXUABHFBBFG-AAEUAGOBSA-N -1 1 292.329 3.304 20 0 CGADMM CO[C@H]1CC[C@H](C)N(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000872160744 634070246 /nfs/dbraw/zinc/07/02/46/634070246.db2.gz JDULYRYBMRMUKD-GWCFXTLKSA-N -1 1 297.782 3.038 20 0 CGADMM C/C(=C\CN1CCc2ccc(Cl)c(C)c2C1)C(=O)[O-] ZINC000872166204 634074447 /nfs/dbraw/zinc/07/44/47/634074447.db2.gz UEDTWHWKUJBOOF-BJMVGYQFSA-N -1 1 279.767 3.037 20 0 CGADMM C[C@H]1CC[C@H](C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000834825206 634248016 /nfs/dbraw/zinc/24/80/16/634248016.db2.gz IWEXNQCMBIYILF-ONGXEEELSA-N -1 1 267.756 3.098 20 0 CGADMM CC(C)c1cc(C(=O)NCc2ccc([O-])c(Cl)c2)on1 ZINC000834829602 634250524 /nfs/dbraw/zinc/25/05/24/634250524.db2.gz XRECTAWJPUJANA-UHFFFAOYSA-N -1 1 294.738 3.087 20 0 CGADMM Cc1nc(C(C)C)ncc1C(=O)Nc1c([O-])cccc1F ZINC000878865678 635646452 /nfs/dbraw/zinc/64/64/52/635646452.db2.gz AAIXSISXZDVCNH-UHFFFAOYSA-N -1 1 289.310 3.005 20 0 CGADMM Cc1ccccc1C1([N-]C(=O)C(F)(F)C(F)F)CC1 ZINC000843630761 635725677 /nfs/dbraw/zinc/72/56/77/635725677.db2.gz PMFRKDTUMBDZFT-UHFFFAOYSA-N -1 1 275.245 3.001 20 0 CGADMM CCC[C@@H](C)CCNC(=O)c1ccc([O-])cc1F ZINC000881530185 636132664 /nfs/dbraw/zinc/13/26/64/636132664.db2.gz OQSWNRXOQFOBHL-SNVBAGLBSA-N -1 1 253.317 3.087 20 0 CGADMM CC(C)O[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000846365077 636178951 /nfs/dbraw/zinc/17/89/51/636178951.db2.gz CZGZUXXFKYHZPV-NSHDSACASA-N -1 1 297.782 3.075 20 0 CGADMM Cc1nc(-c2ccc(NC[C@@H]3C=CCC3)nc2)[n-]c(=O)c1C ZINC000882758187 636410754 /nfs/dbraw/zinc/41/07/54/636410754.db2.gz XSPVGJBWQKXPFZ-CYBMUJFWSA-N -1 1 296.374 3.239 20 0 CGADMM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000848313383 636559228 /nfs/dbraw/zinc/55/92/28/636559228.db2.gz RYRFSUKDRWEEHM-MGCOHNPYSA-N -1 1 297.782 3.122 20 0 CGADMM CC[C@H](C)CON=c1cc(Cl)[n-]c([C@H]2CCCO2)n1 ZINC000884513762 637053870 /nfs/dbraw/zinc/05/38/70/637053870.db2.gz QWTFMEFARJDJID-VHSXEESVSA-N -1 1 285.775 3.371 20 0 CGADMM Cc1ccc(CCC(=O)[N-]OCC(F)(F)F)cc1Cl ZINC000135222665 637098035 /nfs/dbraw/zinc/09/80/35/637098035.db2.gz URLIRFPMPRPDLL-UHFFFAOYSA-N -1 1 295.688 3.191 20 0 CGADMM CC(C)[C@@H](F)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678274 637283956 /nfs/dbraw/zinc/28/39/56/637283956.db2.gz LPPSQCSLTZBGAW-SNVBAGLBSA-N -1 1 263.671 3.117 20 0 CGADMM CC(C)[C@H](F)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678273 637284074 /nfs/dbraw/zinc/28/40/74/637284074.db2.gz LPPSQCSLTZBGAW-JTQLQIEISA-N -1 1 263.671 3.117 20 0 CGADMM CCC[C@H](OCC)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680335 637285542 /nfs/dbraw/zinc/28/55/42/637285542.db2.gz PKGYCZHMJQJBQH-LBPRGKRZSA-N -1 1 289.734 3.328 20 0 CGADMM CC(C)COCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674216 638026188 /nfs/dbraw/zinc/02/61/88/638026188.db2.gz KRXIYNBNAPBGGF-UHFFFAOYSA-N -1 1 289.734 3.186 20 0 CGADMM O=C([N-]Oc1ccccc1)[C@H]1CCCC[C@H]1C1CC1 ZINC000854536888 638068170 /nfs/dbraw/zinc/06/81/70/638068170.db2.gz YCWULVDNXQNTCE-GJZGRUSLSA-N -1 1 259.349 3.313 20 0 CGADMM CN(C[C@H]1CC1(C)C)C(=O)c1c([O-])cccc1Cl ZINC000856457716 638361276 /nfs/dbraw/zinc/36/12/76/638361276.db2.gz BXTSXYLQGMJJTQ-SECBINFHSA-N -1 1 267.756 3.164 20 0 CGADMM COc1cc(C(=O)NC2CCC=CCC2)cc(Cl)c1[O-] ZINC000925393356 638498605 /nfs/dbraw/zinc/49/86/05/638498605.db2.gz HVOOIMHSJMOGNZ-UHFFFAOYSA-N -1 1 295.766 3.283 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2nn(C)cc2Cl)c([O-])c1 ZINC000925805131 638617557 /nfs/dbraw/zinc/61/75/57/638617557.db2.gz FYDRFUUPTKWLJA-UHFFFAOYSA-N -1 1 293.754 3.155 20 0 CGADMM CC(C)(C)[C@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858415008 638708509 /nfs/dbraw/zinc/70/85/09/638708509.db2.gz KKWAKSFBCWHAIR-JTQLQIEISA-N -1 1 283.803 3.488 20 0 CGADMM O=c1nc(N[C@H]2C[C@@H]2C2CCCCC2)cc(Cl)[n-]1 ZINC000858424190 638712654 /nfs/dbraw/zinc/71/26/54/638712654.db2.gz VRVVDYBWPVMBIK-ZJUUUORDSA-N -1 1 267.760 3.216 20 0 CGADMM CC(C)CC1CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858445574 638721535 /nfs/dbraw/zinc/72/15/35/638721535.db2.gz NKPDMDPRTIUREH-UHFFFAOYSA-N -1 1 269.776 3.098 20 0 CGADMM C[C@@H]1CCC[C@@H](CNc2cc(Cl)[n-]c(=O)n2)[C@@H]1C ZINC000858525560 638755134 /nfs/dbraw/zinc/75/51/34/638755134.db2.gz ZBVUPLPUVUWYCR-BBBLOLIVSA-N -1 1 269.776 3.320 20 0 CGADMM CCCc1cc(C(=O)[N-]c2c(C)noc2C(C)C)no1 ZINC000928784746 638891640 /nfs/dbraw/zinc/89/16/40/638891640.db2.gz MKRCZCSJHGBMTJ-UHFFFAOYSA-N -1 1 277.324 3.299 20 0 CGADMM C[C@H](CNc1cc(Cl)[n-]c(=O)n1)C1CCCCC1 ZINC000858634395 639005131 /nfs/dbraw/zinc/00/51/31/639005131.db2.gz RJGUNBUBFNKUFM-SECBINFHSA-N -1 1 269.776 3.464 20 0 CGADMM CN(Cc1ccccc1F)C(=O)c1c([O-])cccc1Cl ZINC000049082000 640081456 /nfs/dbraw/zinc/08/14/56/640081456.db2.gz PEFBNVHMXHFVEU-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM C[C@H](C(=O)Nc1nc(Cl)ccc1[O-])c1cccc(F)c1 ZINC000188360394 640132690 /nfs/dbraw/zinc/13/26/90/640132690.db2.gz JHFYHCXGPFPYCM-QMMMGPOBSA-N -1 1 294.713 3.322 20 0 CGADMM CCc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1 ZINC000078776303 640340197 /nfs/dbraw/zinc/34/01/97/640340197.db2.gz TYGUMXJESUKLOQ-UHFFFAOYSA-N -1 1 299.374 3.016 20 0 CGADMM COc1cc2nc(-c3ccccc3C(=O)[O-])[nH]c2cc1F ZINC001250879714 805792453 /nfs/dbraw/zinc/79/24/53/805792453.db2.gz PSOILAJESGNPSD-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM COc1ccc2[nH]c(-c3ccc([O-])c(F)c3F)nc2c1 ZINC001250913089 805797119 /nfs/dbraw/zinc/79/71/19/805797119.db2.gz RVAHALCTDVEDLL-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM [O-]c1ccc(-c2nc3c(cccc3F)[nH]2)c(F)c1F ZINC001250912569 805797444 /nfs/dbraw/zinc/79/74/44/805797444.db2.gz HCZZOKLNBVSBIC-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM Cn1c(-c2ccc([O-])c(F)c2F)nc2cccc(F)c21 ZINC001250915266 805797743 /nfs/dbraw/zinc/79/77/43/805797743.db2.gz VQKXQLXGAQTZIB-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM Cn1c(-c2ccc(F)c([O-])c2)nc2cccc(F)c21 ZINC001251476882 805900136 /nfs/dbraw/zinc/90/01/36/805900136.db2.gz CUJPSILPXJYFNX-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CCOc1cccc2[nH]c(-c3ccc(F)c([O-])c3)nc21 ZINC001251477576 805900413 /nfs/dbraw/zinc/90/04/13/805900413.db2.gz QEGXJRUVMXMZDL-UHFFFAOYSA-N -1 1 272.279 3.473 20 0 CGADMM CCCC[C@@H](O)CNc1cc([O-])c(Cl)cc1F ZINC001252096602 805993145 /nfs/dbraw/zinc/99/31/45/805993145.db2.gz JWQSXZWXLAFHDM-MRVPVSSYSA-N -1 1 261.724 3.148 20 0 CGADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC001252183846 806030067 /nfs/dbraw/zinc/03/00/67/806030067.db2.gz GZKASZIDJFFPOC-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2ccccc2C)cc(Cl)n1 ZINC001254520541 806436072 /nfs/dbraw/zinc/43/60/72/806436072.db2.gz QSDICTBMCUQVOP-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM CC(C)(C)[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000038241327 798886596 /nfs/dbraw/zinc/88/65/96/798886596.db2.gz UXSPAZNGBSXXNG-SNVBAGLBSA-N -1 1 259.271 3.452 20 0 CGADMM CC[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(C)c(F)c1 ZINC000089460560 798950103 /nfs/dbraw/zinc/95/01/03/798950103.db2.gz JSGINVBGJJKANP-OAHLLOKOSA-N -1 1 288.322 3.116 20 0 CGADMM CC(C)CCc1cc(NC(=O)c2ccc(F)c([O-])c2)n[nH]1 ZINC001163405817 806759275 /nfs/dbraw/zinc/75/92/75/806759275.db2.gz FELZZMTWBZITEC-UHFFFAOYSA-N -1 1 291.326 3.095 20 0 CGADMM O=C(NCC1CCC2(CC2)CC1)c1ccc([O-])cc1F ZINC000696253726 799839058 /nfs/dbraw/zinc/83/90/58/799839058.db2.gz JTUODGJYAKANAR-UHFFFAOYSA-N -1 1 277.339 3.232 20 0 CGADMM O=C([O-])C[C@@H]1CCCN1Cc1ccsc1C(F)(F)F ZINC000704328214 799936205 /nfs/dbraw/zinc/93/62/05/799936205.db2.gz XAANEJYRQQSCSF-VIFPVBQESA-N -1 1 293.310 3.206 20 0 CGADMM C[C@@H](c1cccs1)N(C)Cc1cncc(C(=O)[O-])c1 ZINC000721618725 800296892 /nfs/dbraw/zinc/29/68/92/800296892.db2.gz BBYCPAGVZVBASA-JTQLQIEISA-N -1 1 276.361 3.034 20 0 CGADMM CC(C)(/C=C\Cl)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000928943846 800645820 /nfs/dbraw/zinc/64/58/20/800645820.db2.gz UVFRJVPJJNATLK-WAYWQWQTSA-N -1 1 288.174 3.235 20 0 CGADMM C[C@@H]1C[C@@H]1c1nnc(Cc2ccc([O-])c(Cl)c2)o1 ZINC001256611890 806926457 /nfs/dbraw/zinc/92/64/57/806926457.db2.gz ZIVGJAAFQKTKSN-APPZFPTMSA-N -1 1 264.712 3.143 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1cccc(F)c1F ZINC001164564608 806957475 /nfs/dbraw/zinc/95/74/75/806957475.db2.gz BGRAKMUXWOXMRP-UHFFFAOYSA-N -1 1 280.299 3.334 20 0 CGADMM C[C@H](OC1CCCCC1)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001119649418 802689472 /nfs/dbraw/zinc/68/94/72/802689472.db2.gz ZQZJEBIXINJEGT-VIFPVBQESA-N -1 1 299.317 3.347 20 0 CGADMM CC1(C)C(=O)Nc2cc(-c3c([O-])cccc3Cl)ncc21 ZINC001244034472 803152779 /nfs/dbraw/zinc/15/27/79/803152779.db2.gz JYTKOLWWLQVRSY-UHFFFAOYSA-N -1 1 288.734 3.337 20 0 CGADMM CC(=O)Oc1cccc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244097031 803185246 /nfs/dbraw/zinc/18/52/46/803185246.db2.gz MKZDNPGCAYWTRC-UHFFFAOYSA-N -1 1 264.227 3.263 20 0 CGADMM CC1(C)CNc2cc(-c3cc(F)c([O-])c(F)c3)cnc21 ZINC001244097944 803186094 /nfs/dbraw/zinc/18/60/94/803186094.db2.gz BDALCIKNEGSWCP-UHFFFAOYSA-N -1 1 276.286 3.436 20 0 CGADMM Cn1ccc2c1ccnc2-c1ccc(CCC(=O)[O-])cc1 ZINC001244187903 803233249 /nfs/dbraw/zinc/23/32/49/803233249.db2.gz UZWFVBKTBWFAIA-UHFFFAOYSA-N -1 1 280.327 3.258 20 0 CGADMM Cc1cnc(-c2ccc(OC(F)(F)F)cc2[O-])c(N)c1 ZINC001244463408 803380975 /nfs/dbraw/zinc/38/09/75/803380975.db2.gz RHVQRASQRYPUFF-UHFFFAOYSA-N -1 1 284.237 3.243 20 0 CGADMM Cc1cc(-c2ccc3nccnc3n2)cc(Cl)c1[O-] ZINC001244529568 803421577 /nfs/dbraw/zinc/42/15/77/803421577.db2.gz CGTYPWLMBIOZDL-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM Cc1cc(-c2ccc(C(=O)N(C)C)cn2)cc(Cl)c1[O-] ZINC001244532650 803422746 /nfs/dbraw/zinc/42/27/46/803422746.db2.gz ZDVVBTDYRFRQGV-UHFFFAOYSA-N -1 1 290.750 3.118 20 0 CGADMM COC(=O)c1ccncc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244538166 803425218 /nfs/dbraw/zinc/42/52/18/803425218.db2.gz RESDMAQSYOJDMR-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cnc3c(c2)OCCO3)c1F ZINC001244540536 803428538 /nfs/dbraw/zinc/42/85/38/803428538.db2.gz AFEIADXCUSIIDE-UHFFFAOYSA-N -1 1 281.670 3.018 20 0 CGADMM COC(=O)c1ncc(F)cc1-c1c(Cl)ccc([O-])c1F ZINC001244542986 803429061 /nfs/dbraw/zinc/42/90/61/803429061.db2.gz QOZALCYDHBMINC-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM COCCOc1cc(-c2c(Cl)ccc([O-])c2F)ccn1 ZINC001244542629 803429544 /nfs/dbraw/zinc/42/95/44/803429544.db2.gz OEJLMMLCIFKWOB-UHFFFAOYSA-N -1 1 297.713 3.272 20 0 CGADMM COc1ncnc(C)c1-c1cc(C)c([O-])c(Cl)c1 ZINC001244547959 803433241 /nfs/dbraw/zinc/43/32/41/803433241.db2.gz PUXSNWVKZLJUAU-UHFFFAOYSA-N -1 1 264.712 3.128 20 0 CGADMM Cc1cc(-c2cn(C3CCC3)c(=O)cn2)cc(Cl)c1[O-] ZINC001244554597 803435739 /nfs/dbraw/zinc/43/57/39/803435739.db2.gz LGMQZCXOUFEINM-UHFFFAOYSA-N -1 1 290.750 3.303 20 0 CGADMM O=C([O-])c1cc(-c2nccc3[nH]cnc32)c(F)cc1Cl ZINC001244610460 803463624 /nfs/dbraw/zinc/46/36/24/803463624.db2.gz KYYWLCFDFYXLKN-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM [O-]c1c(Cl)ccc(-c2cc3[nH]nnc3cc2F)c1F ZINC001244632398 803475307 /nfs/dbraw/zinc/47/53/07/803475307.db2.gz KHCGCHRUTONQOH-UHFFFAOYSA-N -1 1 281.649 3.262 20 0 CGADMM COc1c([N-]c2nnc(C(C)C)o2)ccc(F)c1F ZINC001211884596 814951036 /nfs/dbraw/zinc/95/10/36/814951036.db2.gz ZZOMGKXZVNWNPL-UHFFFAOYSA-N -1 1 269.251 3.223 20 0 CGADMM Cc1ccc(F)cc1NC(=O)c1ccc(F)c([O-])c1 ZINC001135373012 803590438 /nfs/dbraw/zinc/59/04/38/803590438.db2.gz MLHYQUTXXZIEJQ-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM COCc1cc(-c2cc(Cl)ccc2[O-])nc(SC)n1 ZINC001245049049 803621307 /nfs/dbraw/zinc/62/13/07/803621307.db2.gz KSAKYIVUOFPHPZ-UHFFFAOYSA-N -1 1 296.779 3.371 20 0 CGADMM Cc1cn2cc(-c3cc(Cl)ccc3[O-])ncc2n1 ZINC001245050761 803623093 /nfs/dbraw/zinc/62/30/93/803623093.db2.gz NUKXOMSZVQWFNZ-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM COC(=O)[C@H](C)c1ccc(-c2cc(Cl)ccc2[O-])nc1 ZINC001245050832 803623350 /nfs/dbraw/zinc/62/33/50/803623350.db2.gz NAHJIOSCUGVGDI-SECBINFHSA-N -1 1 291.734 3.384 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N(Cc1cccs1)C1CC1 ZINC001136163035 803634609 /nfs/dbraw/zinc/63/46/09/803634609.db2.gz RCBNFXPHNPJFBV-UHFFFAOYSA-N -1 1 291.347 3.398 20 0 CGADMM Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001136500335 803645513 /nfs/dbraw/zinc/64/55/13/803645513.db2.gz MBLDKESWJPNRPU-AWEZNQCLSA-N -1 1 299.345 3.469 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@@H]2C(C)(C)C)c1 ZINC001137101347 803683525 /nfs/dbraw/zinc/68/35/25/803683525.db2.gz IHSWCTMTUYBWRO-CQSZACIVSA-N -1 1 289.375 3.164 20 0 CGADMM [O-]c1cc(F)c(-c2cc3[nH]nnc3cc2F)cc1Cl ZINC001245672024 803902182 /nfs/dbraw/zinc/90/21/82/803902182.db2.gz PJNCOMCZAFFLIL-UHFFFAOYSA-N -1 1 281.649 3.262 20 0 CGADMM Cc1nc2cccnc2c(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245830558 803984378 /nfs/dbraw/zinc/98/43/78/803984378.db2.gz QSLUNKYGSGBDNO-UHFFFAOYSA-N -1 1 289.697 3.498 20 0 CGADMM COC(=O)c1cc(-c2c(F)ccc([O-])c2Cl)ncc1C ZINC001245830119 803984445 /nfs/dbraw/zinc/98/44/45/803984445.db2.gz HUNBNEAOOLUOSI-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CCc1ncc(F)c(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245830662 803984815 /nfs/dbraw/zinc/98/48/15/803984815.db2.gz SFPMYGHXVBXFHI-UHFFFAOYSA-N -1 1 270.666 3.343 20 0 CGADMM O=C1NCc2cc(-c3c(F)ccc([O-])c3Cl)ccc2N1 ZINC001245831654 803986993 /nfs/dbraw/zinc/98/69/93/803986993.db2.gz HGSFZISJWHQBGZ-UHFFFAOYSA-N -1 1 292.697 3.487 20 0 CGADMM CCc1cc(=O)n(-c2ccnc3cc(Cl)ccc32)[n-]1 ZINC001245918607 804046285 /nfs/dbraw/zinc/04/62/85/804046285.db2.gz ZTXHBGQWPALHPW-UHFFFAOYSA-N -1 1 273.723 3.342 20 0 CGADMM CC(C)Cc1cc(=O)n(-c2cccc3ncccc32)[n-]1 ZINC001245933604 804063895 /nfs/dbraw/zinc/06/38/95/804063895.db2.gz WLUQRBFCRVPSRT-UHFFFAOYSA-N -1 1 267.332 3.325 20 0 CGADMM Cc1ccc(F)cc1-n1[n-]c(CC2CCC2)cc1=O ZINC001245936378 804066498 /nfs/dbraw/zinc/06/64/98/804066498.db2.gz IQYULSPMCAXFOR-UHFFFAOYSA-N -1 1 260.312 3.368 20 0 CGADMM Cc1ccc(Cl)cc1-n1[n-]c(CC2CC2)cc1=O ZINC001245953169 804088633 /nfs/dbraw/zinc/08/86/33/804088633.db2.gz LEVVXMUWSHUYKF-UHFFFAOYSA-N -1 1 262.740 3.492 20 0 CGADMM CCCOc1ccc(F)cc1[N-]c1nnc(C)o1 ZINC001212195316 814992159 /nfs/dbraw/zinc/99/21/59/814992159.db2.gz JQXUQNQDMDQGKG-UHFFFAOYSA-N -1 1 251.261 3.050 20 0 CGADMM C[C@@H]1CCN(Cc2ccc([O-])c(F)c2F)CC1(F)F ZINC001140889897 804542224 /nfs/dbraw/zinc/54/22/24/804542224.db2.gz PIWSOPXQFTWHCZ-MRVPVSSYSA-N -1 1 277.261 3.148 20 0 CGADMM CCCOC1CCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001140894168 804545928 /nfs/dbraw/zinc/54/59/28/804545928.db2.gz TWURMZMFKCIIDQ-UHFFFAOYSA-N -1 1 285.334 3.061 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ccc3[nH]cnc3c2)c1 ZINC001142428723 804721952 /nfs/dbraw/zinc/72/19/52/804721952.db2.gz ZGWUVBQBYUXONC-UHFFFAOYSA-N -1 1 299.355 3.243 20 0 CGADMM [O-]c1cc(F)c(CN2CC3(C2)CCCC3)c(F)c1 ZINC001144544815 805000537 /nfs/dbraw/zinc/00/05/37/805000537.db2.gz IKVTXEZHWRLCFV-UHFFFAOYSA-N -1 1 253.292 3.046 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H]2c2nccs2)c(F)c1 ZINC001144558987 805005168 /nfs/dbraw/zinc/00/51/68/805005168.db2.gz IBTMJXMQUXJKTF-ZDUSSCGKSA-N -1 1 296.342 3.464 20 0 CGADMM Cc1cccc2c1CCN(C(=O)c1cccc([O-])c1F)C2 ZINC001144739678 805047991 /nfs/dbraw/zinc/04/79/91/805047991.db2.gz QYPWBKUUGHLQAV-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM CC(C)(CNC(=O)c1ccc(F)c([O-])c1)c1cccs1 ZINC001146507301 805070915 /nfs/dbraw/zinc/07/09/15/805070915.db2.gz GBPCGGXZJWDGPC-UHFFFAOYSA-N -1 1 293.363 3.300 20 0 CGADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc([O-])c1F ZINC001146669623 805078893 /nfs/dbraw/zinc/07/88/93/805078893.db2.gz WSDZGHBNDOSEGE-SDDRHHMPSA-N -1 1 277.339 3.230 20 0 CGADMM CCc1ccc(C(=O)Nc2cc(C(C)C)on2)c([O-])c1 ZINC001148269572 805172464 /nfs/dbraw/zinc/17/24/64/805172464.db2.gz LWAZQXFTWPQVAE-UHFFFAOYSA-N -1 1 274.320 3.318 20 0 CGADMM O=C(NCC(F)F)c1cccc(-c2ccccc2)c1[O-] ZINC001148861118 805213273 /nfs/dbraw/zinc/21/32/73/805213273.db2.gz MCLPCXJNIXXSHD-UHFFFAOYSA-N -1 1 277.270 3.054 20 0 CGADMM O=C(NC1(CC2CC2)CC1)c1ccc2cccnc2c1[O-] ZINC001149328841 805228194 /nfs/dbraw/zinc/22/81/94/805228194.db2.gz LOKZBXDRHOTOIA-UHFFFAOYSA-N -1 1 282.343 3.003 20 0 CGADMM O=C([O-])c1c(F)ccc(CN2CCCC3(CCC3)C2)c1F ZINC001249780585 805241120 /nfs/dbraw/zinc/24/11/20/805241120.db2.gz XJXXPAYNRRQDEZ-UHFFFAOYSA-N -1 1 295.329 3.429 20 0 CGADMM C[C@H]1CN(Cc2ccc(F)c(C(=O)[O-])c2F)C2(CC2)C1 ZINC001249779737 805241739 /nfs/dbraw/zinc/24/17/39/805241739.db2.gz DOKXBIXGJMNTJI-SECBINFHSA-N -1 1 281.302 3.037 20 0 CGADMM Cc1cnc(C(=O)N[C@H]2CC(C)(C)c3ccccc32)c([O-])c1 ZINC001150038274 805251298 /nfs/dbraw/zinc/25/12/98/805251298.db2.gz PZCMAOUARRDFQG-AWEZNQCLSA-N -1 1 296.370 3.248 20 0 CGADMM COc1nc(C)ccc1Nc1cc([O-])c(F)c(F)c1F ZINC001249957949 805325681 /nfs/dbraw/zinc/32/56/81/805325681.db2.gz HJKMYZWCRPUQEW-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM Cc1cc(N)ccc1Nc1cc([O-])c(F)c(F)c1F ZINC001249962145 805329249 /nfs/dbraw/zinc/32/92/49/805329249.db2.gz AVGKCPLZJOFCNF-UHFFFAOYSA-N -1 1 268.238 3.444 20 0 CGADMM Cc1c(CO)cccc1Nc1cc([O-])c(F)c(F)c1F ZINC001249964043 805331004 /nfs/dbraw/zinc/33/10/04/805331004.db2.gz XCWAKBWMPABIOW-UHFFFAOYSA-N -1 1 283.249 3.354 20 0 CGADMM Cn1cnc2cccc(Nc3cc([O-])c(F)c(F)c3F)c21 ZINC001249965984 805333341 /nfs/dbraw/zinc/33/33/41/805333341.db2.gz VXEHEKOQOQUOAW-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM O=C(NC1(Cc2ccccc2)CC1)c1cccc([O-])c1F ZINC001154674229 805476797 /nfs/dbraw/zinc/47/67/97/805476797.db2.gz GIARDHAHZDAGFR-UHFFFAOYSA-N -1 1 285.318 3.036 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N[C@H]3C[C@@H]3C3CC3)cc2c1 ZINC001154761161 805483470 /nfs/dbraw/zinc/48/34/70/805483470.db2.gz ZBZBDRZTEMKDDE-ZBFHGGJFSA-N -1 1 297.354 3.082 20 0 CGADMM Cc1cnc(Nc2c(F)ccc([O-])c2Cl)c(C)n1 ZINC001250228534 805504872 /nfs/dbraw/zinc/50/48/72/805504872.db2.gz FEFWXOIZLHUMLX-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM Cc1nn(C)c(C)c1Nc1c(F)ccc([O-])c1Cl ZINC001250228304 805505146 /nfs/dbraw/zinc/50/51/46/805505146.db2.gz VSTWYSVHJMENLH-UHFFFAOYSA-N -1 1 269.707 3.279 20 0 CGADMM NC(=O)c1sccc1Nc1c(F)ccc([O-])c1Cl ZINC001250228103 805505208 /nfs/dbraw/zinc/50/52/08/805505208.db2.gz LKSLFTQTHNGBMD-UHFFFAOYSA-N -1 1 286.715 3.089 20 0 CGADMM [O-]c1ccc(F)c(Nc2ncccc2F)c1Cl ZINC001250228020 805505214 /nfs/dbraw/zinc/50/52/14/805505214.db2.gz HPCKOLIYDSYDCF-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM [O-]c1ccc(F)c(Nc2ccc(CO)cc2)c1Cl ZINC001250233560 805508166 /nfs/dbraw/zinc/50/81/66/805508166.db2.gz RWLVLFWDJDJRIV-UHFFFAOYSA-N -1 1 267.687 3.421 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1c(F)ccc(CO)c1F ZINC001250256419 805525916 /nfs/dbraw/zinc/52/59/16/805525916.db2.gz YTLKUZDESVIWIU-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM COc1cccc(Cc2cc(F)c([O-])cc2F)c1 ZINC001250266078 805533705 /nfs/dbraw/zinc/53/37/05/805533705.db2.gz XBCHISWAKMCHNE-UHFFFAOYSA-N -1 1 250.244 3.270 20 0 CGADMM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3ccncc3[O-])o2)cc1 ZINC001257295208 807091076 /nfs/dbraw/zinc/09/10/76/807091076.db2.gz LOJGHRMXYHNYAF-KGLIPLIRSA-N -1 1 293.326 3.417 20 0 CGADMM [O-]c1cc(Nc2cc(F)cc(CO)c2)cc(F)c1F ZINC001212749006 815124622 /nfs/dbraw/zinc/12/46/22/815124622.db2.gz OKFJOANCXLLIQE-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM [O-]c1cc(F)c(Nc2cc(F)cc(CO)c2)cc1F ZINC001212748777 815124689 /nfs/dbraw/zinc/12/46/89/815124689.db2.gz HQEJPWWQBMEWJU-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM [O-]c1cc(-c2nnc(CC3CCCC3)o2)ccc1F ZINC001258691003 807546727 /nfs/dbraw/zinc/54/67/27/807546727.db2.gz LHPRSRSBUJVARA-UHFFFAOYSA-N -1 1 262.284 3.314 20 0 CGADMM CC(=O)OCc1cccc(C)c1[N-]c1nnc(C(C)C)o1 ZINC001212767654 815132545 /nfs/dbraw/zinc/13/25/45/815132545.db2.gz RNLRXPVYIRBGLO-UHFFFAOYSA-N -1 1 289.335 3.308 20 0 CGADMM CCC(=O)c1ccccc1[N-]S(=O)(=O)C1CCCCC1 ZINC001259815681 807689212 /nfs/dbraw/zinc/68/92/12/807689212.db2.gz OOSNPVWUFLMBTQ-UHFFFAOYSA-N -1 1 295.404 3.354 20 0 CGADMM CC(C)CS(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC001259877724 807690263 /nfs/dbraw/zinc/69/02/63/807690263.db2.gz SMTTYITULHULON-UHFFFAOYSA-N -1 1 281.299 3.103 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cccc2cc(=O)[nH]cc21 ZINC001171638043 808108981 /nfs/dbraw/zinc/10/89/81/808108981.db2.gz RYNPUHBEVIGYDP-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM O=C(COc1ccc(Cl)cc1)Nc1cccc(F)c1[O-] ZINC001171632664 808109126 /nfs/dbraw/zinc/10/91/26/808109126.db2.gz JXQSOLWKPADUQL-UHFFFAOYSA-N -1 1 295.697 3.202 20 0 CGADMM C[C@@H]1Cc2cc(C(=O)Nc3cccc(F)c3[O-])ccc2O1 ZINC001171638565 808111228 /nfs/dbraw/zinc/11/12/28/808111228.db2.gz YXFAZJMHLNEBAT-SECBINFHSA-N -1 1 287.290 3.107 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCc2ccccc2C1 ZINC001171638563 808111669 /nfs/dbraw/zinc/11/16/69/808111669.db2.gz YWJAEWXXNQSKSH-CYBMUJFWSA-N -1 1 285.318 3.275 20 0 CGADMM CCOCC[C@@H](C)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001172422479 808303497 /nfs/dbraw/zinc/30/34/97/808303497.db2.gz FGHMLFRHXVYTRO-GFCCVEGCSA-N -1 1 289.379 3.113 20 0 CGADMM CC(=O)Nc1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001173831835 808696944 /nfs/dbraw/zinc/69/69/44/808696944.db2.gz HEHMWQFGDWNXSY-UHFFFAOYSA-N -1 1 278.258 3.372 20 0 CGADMM COc1ccc(Nc2cc(F)c([O-])cc2F)c(OC)c1 ZINC001173892368 808745852 /nfs/dbraw/zinc/74/58/52/808745852.db2.gz UKCFYRGCTYQMAZ-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM COc1cccc(Nc2ccc(F)c(F)c2[O-])c1OC ZINC001174017540 808825367 /nfs/dbraw/zinc/82/53/67/808825367.db2.gz DDSUZSKDWJELMD-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM COc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(F)c1 ZINC001174147364 808891803 /nfs/dbraw/zinc/89/18/03/808891803.db2.gz RYCMLWNYHRYTNH-UHFFFAOYSA-N -1 1 299.305 3.469 20 0 CGADMM Cn1cc(Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001174330129 808954776 /nfs/dbraw/zinc/95/47/76/808954776.db2.gz REAQHNBMYSTNIY-UHFFFAOYSA-N -1 1 258.108 3.176 20 0 CGADMM Cc1nn(C)cc1[N-]c1nc2cc(Cl)ccc2o1 ZINC001174333749 808956576 /nfs/dbraw/zinc/95/65/76/808956576.db2.gz WBJOJFRHJZGKTR-UHFFFAOYSA-N -1 1 262.700 3.267 20 0 CGADMM Cc1nn(C)cc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001174335783 808957602 /nfs/dbraw/zinc/95/76/02/808957602.db2.gz FHPKNZJLLHNJET-UHFFFAOYSA-N -1 1 272.135 3.485 20 0 CGADMM O=c1ccn(-c2ccc(Nc3cccc4[nH]ncc43)cc2)[n-]1 ZINC001174346683 808968806 /nfs/dbraw/zinc/96/88/06/808968806.db2.gz DPYSOQPRSAEAHO-UHFFFAOYSA-N -1 1 291.314 3.198 20 0 CGADMM CCc1nnc([N-]c2c(F)ccc(F)c2OC)s1 ZINC001174660208 809121181 /nfs/dbraw/zinc/12/11/81/809121181.db2.gz KLYOSNMANIMNHA-UHFFFAOYSA-N -1 1 271.292 3.131 20 0 CGADMM O=C(N[C@@H](CF)c1ccc(F)cc1)c1c([O-])cccc1F ZINC001174763526 809158622 /nfs/dbraw/zinc/15/86/22/809158622.db2.gz KBHGDCFCWOAOMZ-LBPRGKRZSA-N -1 1 295.260 3.111 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1Nc1ccnn1-c1ccncc1 ZINC001174982993 809225972 /nfs/dbraw/zinc/22/59/72/809225972.db2.gz BAIAZYOOKFJZIY-UHFFFAOYSA-N -1 1 294.314 3.018 20 0 CGADMM C[S@@](=O)c1ccccc1Nc1cc([O-])c(F)c(F)c1 ZINC001175310222 809349383 /nfs/dbraw/zinc/34/93/83/809349383.db2.gz RCDHHTKPLHJIHQ-LJQANCHMSA-N -1 1 283.299 3.151 20 0 CGADMM C[S@](=O)c1ccccc1Nc1cc([O-])c(F)c(F)c1 ZINC001175310221 809349798 /nfs/dbraw/zinc/34/97/98/809349798.db2.gz RCDHHTKPLHJIHQ-IBGZPJMESA-N -1 1 283.299 3.151 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc(N2CCCC2)nc1 ZINC001175351323 809372251 /nfs/dbraw/zinc/37/22/51/809372251.db2.gz QNCUITKZESAQRI-UHFFFAOYSA-N -1 1 291.301 3.409 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cnc2cccnc2c1 ZINC001175360719 809378324 /nfs/dbraw/zinc/37/83/24/809378324.db2.gz MHCKDZZAQNOKJH-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM C[S@](=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001175479380 809422404 /nfs/dbraw/zinc/42/24/04/809422404.db2.gz PFGVJVFMENNBBB-IBGZPJMESA-N -1 1 283.299 3.151 20 0 CGADMM CCn1ncc2ccc(NC(=O)c3ccc([O-])cc3F)cc21 ZINC001292444860 809432719 /nfs/dbraw/zinc/43/27/19/809432719.db2.gz OECUEANKFRLOOG-UHFFFAOYSA-N -1 1 299.305 3.153 20 0 CGADMM O=C(Nc1scnc1C1CC1)c1ccc(F)c([O-])c1 ZINC001295998330 809496786 /nfs/dbraw/zinc/49/67/86/809496786.db2.gz FGGSPXISIJXSIN-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC001296729336 809508895 /nfs/dbraw/zinc/50/88/95/809508895.db2.gz OYRBZBPGARSAJD-CHWSQXEVSA-N -1 1 276.380 3.122 20 0 CGADMM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001300369173 809567514 /nfs/dbraw/zinc/56/75/14/809567514.db2.gz QFKAPXIAHWSJDX-CMPLNLGQSA-N -1 1 265.328 3.086 20 0 CGADMM [O-]c1ccc(Cl)c(NC2=CCOCC2)c1Cl ZINC001176149102 809637010 /nfs/dbraw/zinc/63/70/10/809637010.db2.gz LXQSNMRCNISKHT-UHFFFAOYSA-N -1 1 260.120 3.415 20 0 CGADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)cc(O)c1C ZINC001176266592 809658433 /nfs/dbraw/zinc/65/84/33/809658433.db2.gz DTHZSWVYBHQBHW-UHFFFAOYSA-N -1 1 293.269 3.245 20 0 CGADMM Cc1cccc2ncc(Nc3ccc(CCC(=O)[O-])cc3)n21 ZINC001213625673 815312493 /nfs/dbraw/zinc/31/24/93/815312493.db2.gz LXXDQUPDVZMSEH-UHFFFAOYSA-N -1 1 295.342 3.404 20 0 CGADMM CSc1nccc(Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176663517 809738380 /nfs/dbraw/zinc/73/83/80/809738380.db2.gz HTZBYLHNDCZNMM-UHFFFAOYSA-N -1 1 287.266 3.065 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc(F)cc2CO)c1F ZINC001176670250 809739553 /nfs/dbraw/zinc/73/95/53/809739553.db2.gz BZVWBJGRPJBFBZ-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc(CO)c(F)c2)c1F ZINC001176674131 809741220 /nfs/dbraw/zinc/74/12/20/809741220.db2.gz QYIMFZYXQVVWHN-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM O=C(NCCc1ccccc1)Nc1cc(F)c([O-])cc1F ZINC001184940700 810224090 /nfs/dbraw/zinc/22/40/90/810224090.db2.gz CARXMVMMCUBRJF-UHFFFAOYSA-N -1 1 292.285 3.035 20 0 CGADMM O=C(Nc1ccc2c(c1)N=NC2)c1ccc([O-])cc1F ZINC001186337881 810329066 /nfs/dbraw/zinc/32/90/66/810329066.db2.gz YGQDVNJCDAIYQA-UHFFFAOYSA-N -1 1 271.251 3.381 20 0 CGADMM COC(=O)c1c(F)cccc1Nc1cc(F)c([O-])cc1F ZINC001214055173 815362047 /nfs/dbraw/zinc/36/20/47/815362047.db2.gz KPOMDCRBBYMOPX-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM Cc1cccc([O-])c1C(=O)Nc1cccc2c1C(=O)CCC2 ZINC001188655621 810500638 /nfs/dbraw/zinc/50/06/38/810500638.db2.gz RHUUCTFHRVDNMI-UHFFFAOYSA-N -1 1 295.338 3.472 20 0 CGADMM O=C(Nc1ccsc1)c1cnc(-c2ccccc2)[n-]c1=O ZINC001190257904 810616003 /nfs/dbraw/zinc/61/60/03/810616003.db2.gz LUDADJYYVKROMJ-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM O=S(=O)(CC1CCC1)[N-]c1cc2c(s1)CCCC2 ZINC001193478938 810894543 /nfs/dbraw/zinc/89/45/43/810894543.db2.gz OHVRYGQLJCNTFF-UHFFFAOYSA-N -1 1 285.434 3.169 20 0 CGADMM [O-]c1c(F)cc(Nc2cnnc(Cl)c2)cc1Cl ZINC001214480173 815415298 /nfs/dbraw/zinc/41/52/98/815415298.db2.gz NIWDASFCOMQGLW-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM CCc1cnc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214482702 815416559 /nfs/dbraw/zinc/41/65/59/815416559.db2.gz JORFZFBVPWGLDL-UHFFFAOYSA-N -1 1 267.691 3.281 20 0 CGADMM Nc1ccc2cnn(-c3cc(F)c([O-])c(Cl)c3)c2c1 ZINC001214486397 815416757 /nfs/dbraw/zinc/41/67/57/815416757.db2.gz DYABFOAPTGZUJR-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM CC[C@@H](C)COC(=O)Nc1ccc([O-])c(F)c1F ZINC001194800084 811137918 /nfs/dbraw/zinc/13/79/18/811137918.db2.gz FEOSQDZBDJFKIS-SSDOTTSWSA-N -1 1 259.252 3.265 20 0 CGADMM COc1ccccc1OC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001195266856 811233602 /nfs/dbraw/zinc/23/36/02/811233602.db2.gz SSFAKZNYNLIRIC-UHFFFAOYSA-N -1 1 295.241 3.290 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2ccc(C3CCC3)nc2)n1 ZINC001195322613 811243160 /nfs/dbraw/zinc/24/31/60/811243160.db2.gz PTAUSGHPVCPDJS-UHFFFAOYSA-N -1 1 283.331 3.010 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1c(C)cc(C)cc1Cl ZINC001195486875 811260556 /nfs/dbraw/zinc/26/05/56/811260556.db2.gz LGBXSLODLGXQJL-UHFFFAOYSA-N -1 1 286.784 3.400 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1c(C)cc(F)cc1Cl ZINC001195491147 811262170 /nfs/dbraw/zinc/26/21/70/811262170.db2.gz SPKOEDUBQGRKCA-UHFFFAOYSA-N -1 1 290.747 3.230 20 0 CGADMM COc1ccc(NC(=S)Nc2cccc(F)c2[O-])cc1 ZINC001195704675 811280845 /nfs/dbraw/zinc/28/08/45/811280845.db2.gz JMESDJVYLNGEET-UHFFFAOYSA-N -1 1 292.335 3.349 20 0 CGADMM Nc1nc2ccccc2n1-c1ccc(Cl)c([O-])c1F ZINC001214791525 815453323 /nfs/dbraw/zinc/45/33/23/815453323.db2.gz WJBQBEIBPPHNMU-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM CCCCCNC(=S)Nc1ccc([O-])c(F)c1F ZINC001200057490 811631621 /nfs/dbraw/zinc/63/16/21/811631621.db2.gz NYGQJFDTUHYKCW-UHFFFAOYSA-N -1 1 274.336 3.147 20 0 CGADMM CCc1nnc([N-]c2cnn(-c3ccccc3)c2C)s1 ZINC001201362293 811819608 /nfs/dbraw/zinc/81/96/08/811819608.db2.gz IHPIXNPEZIHQMA-UHFFFAOYSA-N -1 1 285.376 3.338 20 0 CGADMM O=C(Nc1cc(Cl)ncc1[O-])Nc1c(F)cccc1F ZINC001202033262 812001186 /nfs/dbraw/zinc/00/11/86/812001186.db2.gz ILKSRVATLIDOSE-UHFFFAOYSA-N -1 1 299.664 3.363 20 0 CGADMM O=C(Nc1cccc(F)c1)Nc1cccc(F)c1[O-] ZINC001202230694 812046249 /nfs/dbraw/zinc/04/62/49/812046249.db2.gz HUEPOJOTMIMSKQ-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM COc1ccc(NC(=O)Nc2cc(F)c([O-])cc2F)cc1 ZINC001202394366 812084333 /nfs/dbraw/zinc/08/43/33/812084333.db2.gz NPOYRFFLDQUBHD-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM CC(C)(C)NC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001202484531 812106263 /nfs/dbraw/zinc/10/62/63/812106263.db2.gz OEESBPIESAVXFD-UHFFFAOYSA-N -1 1 276.258 3.331 20 0 CGADMM Cc1nnc(-c2ccc([N-]c3nnc(C(C)C)o3)cc2)o1 ZINC001203086394 812236384 /nfs/dbraw/zinc/23/63/84/812236384.db2.gz IPGAJMOAYDHIDA-UHFFFAOYSA-N -1 1 285.307 3.295 20 0 CGADMM Cc1ccc(Nc2c([O-])cc(F)cc2F)c(C)n1 ZINC001203373309 812330158 /nfs/dbraw/zinc/33/01/58/812330158.db2.gz KKWVXNZKLSFCMP-UHFFFAOYSA-N -1 1 250.248 3.426 20 0 CGADMM [O-]c1cc(F)c(Nc2c(CO)ccc(F)c2F)cc1F ZINC001215576293 815539600 /nfs/dbraw/zinc/53/96/00/815539600.db2.gz TUWVLDQXJASAKI-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc2c(c1)NCCO2 ZINC001209797065 814143618 /nfs/dbraw/zinc/14/36/18/814143618.db2.gz WFRZQJRWCDHKIP-UHFFFAOYSA-N -1 1 278.258 3.218 20 0 CGADMM CO[C@H](C)c1cccc(-n2[n-]c(=O)c3cc(N)ccc32)c1 ZINC001209950460 814210741 /nfs/dbraw/zinc/21/07/41/814210741.db2.gz ILOXQKUEGYRUMN-SNVBAGLBSA-N -1 1 283.331 3.021 20 0 CGADMM CCc1ncccc1Nc1cc([O-])c(F)c(F)c1 ZINC001210467458 814473400 /nfs/dbraw/zinc/47/34/00/814473400.db2.gz HCKKSBBKRFUVHB-UHFFFAOYSA-N -1 1 250.248 3.371 20 0 CGADMM COCOc1ccc(Nc2ccnc(Cl)c2[O-])c(C)c1 ZINC001210492217 814488409 /nfs/dbraw/zinc/48/84/09/814488409.db2.gz RSLJQXHSAOZYHG-UHFFFAOYSA-N -1 1 294.738 3.475 20 0 CGADMM C[C@@H](O)c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001210508724 814497894 /nfs/dbraw/zinc/49/78/94/814497894.db2.gz PTWBZBGMGBGEJM-MRVPVSSYSA-N -1 1 265.259 3.467 20 0 CGADMM Cc1ccc(CO)cc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001210684244 814584574 /nfs/dbraw/zinc/58/45/74/814584574.db2.gz GVYYIJXLAUJMQR-UHFFFAOYSA-N -1 1 295.342 3.122 20 0 CGADMM [O-]c1cc(F)cnc1Nc1ccc2ccccc2n1 ZINC001210812929 814640306 /nfs/dbraw/zinc/64/03/06/814640306.db2.gz DGKVDDTXWKZFNE-UHFFFAOYSA-N -1 1 255.252 3.218 20 0 CGADMM [O-]c1cccc(-c2ccc(-n3cccc3)nn2)c1Cl ZINC001242798712 823135807 /nfs/dbraw/zinc/13/58/07/823135807.db2.gz WPWHMXOTLHZFSF-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM CN(CC1CC1)c1cncc(-c2cccc([O-])c2Cl)n1 ZINC001242800105 823136275 /nfs/dbraw/zinc/13/62/75/823136275.db2.gz DMMFYTSTTYASGB-UHFFFAOYSA-N -1 1 289.766 3.349 20 0 CGADMM CCOc1cc(-c2cccc([O-])c2Cl)nc(C)n1 ZINC001242800110 823136440 /nfs/dbraw/zinc/13/64/40/823136440.db2.gz DZONZYMCGOVJNG-UHFFFAOYSA-N -1 1 264.712 3.210 20 0 CGADMM CNC(=S)Nc1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242801009 823137074 /nfs/dbraw/zinc/13/70/74/823137074.db2.gz MPLOKGXJXNUANH-UHFFFAOYSA-N -1 1 293.779 3.024 20 0 CGADMM COC(=O)c1ccc(Nc2ccnc(Cl)c2[O-])cc1C ZINC001211168517 814840197 /nfs/dbraw/zinc/84/01/97/814840197.db2.gz FJRWBPOMGYEGBT-UHFFFAOYSA-N -1 1 292.722 3.279 20 0 CGADMM [O-]c1cccc(-c2cncc(N3CCCC3)n2)c1Cl ZINC001242801211 823137520 /nfs/dbraw/zinc/13/75/20/823137520.db2.gz QDNGGSYZYIVGAH-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM Cc1nnc2ccc(-c3cccc([O-])c3Cl)cn12 ZINC001242803250 823138564 /nfs/dbraw/zinc/13/85/64/823138564.db2.gz XDSRICBSUWKDOJ-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM Cn1cncc1Nc1ccc([C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001211251346 814861781 /nfs/dbraw/zinc/86/17/81/814861781.db2.gz FWGJXRBYHSKYGG-CQSZACIVSA-N -1 1 287.363 3.378 20 0 CGADMM CCOc1cc(-c2cc(F)c([O-])cc2F)ccn1 ZINC001211338808 814881648 /nfs/dbraw/zinc/88/16/48/814881648.db2.gz KFZVDDLRFXPIPU-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM CN(C)C(=O)c1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211340227 814882065 /nfs/dbraw/zinc/88/20/65/814882065.db2.gz UNGONIBOSWNLPE-UHFFFAOYSA-N -1 1 277.270 3.039 20 0 CGADMM [O-]c1cc(F)c(-c2cc(F)c3nccnc3c2)cc1F ZINC001211352736 814884374 /nfs/dbraw/zinc/88/43/74/814884374.db2.gz OGUBLOPHSYVMKT-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM COC(=O)c1ccc(F)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001211352875 814884646 /nfs/dbraw/zinc/88/46/46/814884646.db2.gz LQOBJCICIVFNNZ-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM COc1cccc(-c2noc(-c3cccc([O-])c3F)n2)c1 ZINC001215989208 815653376 /nfs/dbraw/zinc/65/33/76/815653376.db2.gz UVMAMDHFUTUJON-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM Cc1nc(-c2cc(Cl)c([O-])c(Cl)c2)nc2nc[nH]c21 ZINC001242848626 823152256 /nfs/dbraw/zinc/15/22/56/823152256.db2.gz CSUGBYXBXHPGKN-UHFFFAOYSA-N -1 1 295.129 3.292 20 0 CGADMM Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001218829058 816254585 /nfs/dbraw/zinc/25/45/85/816254585.db2.gz WQHBIZVWXQQBPP-UHFFFAOYSA-N -1 1 296.248 3.246 20 0 CGADMM CC[C@@H](OCCCC[P@](=O)([O-])O)c1ccccc1 ZINC001225023601 816934489 /nfs/dbraw/zinc/93/44/89/816934489.db2.gz ZAGJEQSZPBYFIT-CYBMUJFWSA-N -1 1 272.281 3.112 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CCCc2cccnc21 ZINC001225677079 817138458 /nfs/dbraw/zinc/13/84/58/817138458.db2.gz MWXFTACZULICEW-AWEZNQCLSA-N -1 1 299.326 3.152 20 0 CGADMM C[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1Cl ZINC001225761425 817169739 /nfs/dbraw/zinc/16/97/39/817169739.db2.gz MUDHEZRQPYQLKI-SSDOTTSWSA-N -1 1 282.752 3.264 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H]1CCc2cc(C)ccc21 ZINC001226242547 817308913 /nfs/dbraw/zinc/30/89/13/817308913.db2.gz POQZTMDVIWGINV-GFCCVEGCSA-N -1 1 288.372 3.149 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3CC[C@@H](C)C3)c12 ZINC001226486655 817373626 /nfs/dbraw/zinc/37/36/26/817373626.db2.gz SRMDVJNMQIQUET-BXKDBHETSA-N -1 1 274.316 3.374 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H](C)c3ccncc3)c12 ZINC001226491416 817374425 /nfs/dbraw/zinc/37/44/25/817374425.db2.gz WWMJSIYRHSCMPD-LLVKDONJSA-N -1 1 297.310 3.342 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001227168729 817578004 /nfs/dbraw/zinc/57/80/04/817578004.db2.gz MNWIRLZOFPEEEH-IMRBUKKESA-N -1 1 292.375 3.425 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CCC[C@@H](C)C1 ZINC001227168761 817578042 /nfs/dbraw/zinc/57/80/42/817578042.db2.gz NFFOETNOHXWGAI-DGCLKSJQSA-N -1 1 278.348 3.179 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@H]1CC2CCC1CC2 ZINC001227169419 817578792 /nfs/dbraw/zinc/57/87/92/817578792.db2.gz SZRBNBOBNQOTBI-PPUFBPAQSA-N -1 1 290.359 3.179 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001227168674 817578948 /nfs/dbraw/zinc/57/89/48/817578948.db2.gz KZLIKPVXCJMGSZ-MBNYWOFBSA-N -1 1 292.375 3.425 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@H](C)C1CCCC1 ZINC001227171559 817579464 /nfs/dbraw/zinc/57/94/64/817579464.db2.gz FBWPSMZYEXZLQC-LLVKDONJSA-N -1 1 278.348 3.179 20 0 CGADMM CC(C)N1CC(Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227641343 817685815 /nfs/dbraw/zinc/68/58/15/817685815.db2.gz MTBMBFNUVASUKK-UHFFFAOYSA-N -1 1 276.163 3.170 20 0 CGADMM [O-]c1cc(Cl)c(O[C@@H]2CCOC[C@H]2F)cc1Cl ZINC001227644891 817687137 /nfs/dbraw/zinc/68/71/37/817687137.db2.gz DFZDBCQRLCRJON-PSASIEDQSA-N -1 1 281.110 3.205 20 0 CGADMM C[C@@H]1OCc2c1nc(=O)[n-]c2O[C@H]1CCCc2ccccc21 ZINC001227713396 817700822 /nfs/dbraw/zinc/70/08/22/817700822.db2.gz OGCYPOAJNQUFIM-HZMBPMFUSA-N -1 1 298.342 3.230 20 0 CGADMM Cc1cccc([C@H](C)Oc2[n-]c(=O)nc3c2CO[C@H]3C)c1 ZINC001227716148 817702437 /nfs/dbraw/zinc/70/24/37/817702437.db2.gz LJBCWQRDDFVHCX-QWRGUYRKSA-N -1 1 286.331 3.222 20 0 CGADMM CC[C@@H](Oc1cc(=O)[n-]c(SC)n1)c1ccccc1 ZINC001228090088 817807861 /nfs/dbraw/zinc/80/78/61/817807861.db2.gz IHNUOHJJGIASAE-LLVKDONJSA-N -1 1 276.361 3.434 20 0 CGADMM CSc1nc(O[C@H]2CCCc3ccccc32)cc(=O)[n-]1 ZINC001228091061 817808187 /nfs/dbraw/zinc/80/81/87/817808187.db2.gz SOJIXCWOLJJLQQ-LBPRGKRZSA-N -1 1 288.372 3.361 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCCC[C@H]1F ZINC001228554722 817936438 /nfs/dbraw/zinc/93/64/38/817936438.db2.gz KJHFPSOOZMFFKP-ZWNOBZJWSA-N -1 1 282.311 3.350 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CC=C(OC)CC1 ZINC001228557586 817938436 /nfs/dbraw/zinc/93/84/36/817938436.db2.gz YEMYUTWVJSQYGG-LBPRGKRZSA-N -1 1 292.331 3.152 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(C)c(O)c3)ccc2[n-]1 ZINC001243227090 823302995 /nfs/dbraw/zinc/30/29/95/823302995.db2.gz RVKKOZOTEROVKW-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(C)c(O)c3)cc2[n-]1 ZINC001243227090 823303000 /nfs/dbraw/zinc/30/30/00/823303000.db2.gz RVKKOZOTEROVKW-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM COC1CCC(Oc2[n-]c(=S)nc3ccccc32)CC1 ZINC001228765970 818003014 /nfs/dbraw/zinc/00/30/14/818003014.db2.gz PJKVODVLFFWKIS-UHFFFAOYSA-N -1 1 290.388 3.255 20 0 CGADMM [O-]c1cccnc1-c1ncccc1OC(C1CC1)C1CC1 ZINC001231200940 818056792 /nfs/dbraw/zinc/05/67/92/818056792.db2.gz VLPULWUCJBQCEK-UHFFFAOYSA-N -1 1 282.343 3.417 20 0 CGADMM [O-]c1cc(CN2CC[C@H](CF)C(F)(F)C2)ccc1Cl ZINC001231732882 818162125 /nfs/dbraw/zinc/16/21/25/818162125.db2.gz INSMKWHBGPGYAP-SNVBAGLBSA-N -1 1 293.716 3.472 20 0 CGADMM Oc1cc(C[N@H+]2CC[C@]3(C2)CCCCO3)ccc1Cl ZINC001231731515 818162378 /nfs/dbraw/zinc/16/23/78/818162378.db2.gz NNMGHYDKTYAQCZ-HNNXBMFYSA-N -1 1 281.783 3.191 20 0 CGADMM C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(Cl)c([O-])c1 ZINC001231734672 818164138 /nfs/dbraw/zinc/16/41/38/818164138.db2.gz DCEMMWZMDLVKMG-JTQLQIEISA-N -1 1 299.798 3.208 20 0 CGADMM [O-]c1c(F)ccc(CN2CCc3ccc(F)cc3C2)c1F ZINC001232935017 818477319 /nfs/dbraw/zinc/47/73/19/818477319.db2.gz MVOMSXSSDKDKKF-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1Cc2cccc(F)c2C1 ZINC001233034596 818505579 /nfs/dbraw/zinc/50/55/79/818505579.db2.gz MVAPIQVWMYFRLU-UHFFFAOYSA-N -1 1 278.714 3.096 20 0 CGADMM Cn1ccc2ccnc(-c3ccc([O-])c(F)c3F)c21 ZINC001243339664 823352787 /nfs/dbraw/zinc/35/27/87/823352787.db2.gz PJMHLFLOTFAOHD-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM COCc1ccccc1-c1ccc([O-])c(F)c1F ZINC001243340423 823354326 /nfs/dbraw/zinc/35/43/26/823354326.db2.gz AEZHTGLSGGWNNG-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OC[C@@H]1CCO[C@@H]1C ZINC001233649410 818668566 /nfs/dbraw/zinc/66/85/66/818668566.db2.gz XPROLABGJCCQHF-NEPJUHHUSA-N -1 1 278.348 3.179 20 0 CGADMM C[C@@H]1C(=O)Nc2cc(-c3ccc([O-])c(F)c3F)ccc21 ZINC001243341729 823355086 /nfs/dbraw/zinc/35/50/86/823355086.db2.gz CEYDTBZQERGVQY-ZETCQYMHSA-N -1 1 275.254 3.393 20 0 CGADMM COC(=O)c1c(OC)cccc1-c1ccc([O-])c(F)c1F ZINC001243342861 823356747 /nfs/dbraw/zinc/35/67/47/823356747.db2.gz MYAMVSGXRCBNMV-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM O=C1CCc2cccc(-c3ccc([O-])c(F)c3F)c2N1 ZINC001243342273 823357348 /nfs/dbraw/zinc/35/73/48/823357348.db2.gz CZTNNQVJUOATMO-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM O=C1CSc2cc(-c3ccc([O-])c(F)c3F)ccc2N1 ZINC001243342882 823357695 /nfs/dbraw/zinc/35/76/95/823357695.db2.gz NYKBFGPPSSJPTM-UHFFFAOYSA-N -1 1 293.294 3.382 20 0 CGADMM COc1cc(OC)c(-c2ccc([O-])c(F)c2F)cc1OC ZINC001243342269 823357886 /nfs/dbraw/zinc/35/78/86/823357886.db2.gz CUQUGHYXLPHCIY-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM [O-]c1ccc(-c2ccc(N3CCOCC3)cc2)c(F)c1F ZINC001243342343 823358016 /nfs/dbraw/zinc/35/80/16/823358016.db2.gz LDMYOYYQMWZDSO-UHFFFAOYSA-N -1 1 291.297 3.174 20 0 CGADMM Cc1nc2[nH]ccc2cc1-c1ccc([O-])c(F)c1F ZINC001243343525 823358575 /nfs/dbraw/zinc/35/85/75/823358575.db2.gz ZRVQZXQNTFNBFR-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM COC(=O)c1ccc(F)cc1-c1ccc([O-])c(F)c1F ZINC001243343005 823359652 /nfs/dbraw/zinc/35/96/52/823359652.db2.gz UWUYTKMXMMAPFG-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COC(=O)c1cc(F)c(=O)[n-]c1OC1CCC(C)(C)CC1 ZINC001234610905 818891124 /nfs/dbraw/zinc/89/11/24/818891124.db2.gz WHNVLDIWUOUMBW-UHFFFAOYSA-N -1 1 297.326 3.061 20 0 CGADMM Cc1ccc(F)c(-c2cncc(OCC(C)C)n2)c1[O-] ZINC001236391663 819447700 /nfs/dbraw/zinc/44/77/00/819447700.db2.gz MTHQLOVUTVVBGL-UHFFFAOYSA-N -1 1 276.311 3.332 20 0 CGADMM CCOC(=O)c1ccc(-c2c(F)ccc(C)c2[O-])nc1 ZINC001236391123 819447936 /nfs/dbraw/zinc/44/79/36/819447936.db2.gz LHGNTJWXNJSLOS-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM Cc1ccc(F)c(-c2nccc3ccn(C)c32)c1[O-] ZINC001236390783 819447968 /nfs/dbraw/zinc/44/79/68/819447968.db2.gz KWNHKIITLPNCRH-UHFFFAOYSA-N -1 1 256.280 3.393 20 0 CGADMM Cc1ccc(F)c(-c2cc(OCC3CC3)ncn2)c1[O-] ZINC001236394455 819448435 /nfs/dbraw/zinc/44/84/35/819448435.db2.gz YDCRBYPJBCUOAW-UHFFFAOYSA-N -1 1 274.295 3.086 20 0 CGADMM Cc1ccc(F)c(-c2ccc(-c3ccncc3)nn2)c1[O-] ZINC001236394201 819449017 /nfs/dbraw/zinc/44/90/17/819449017.db2.gz XSERXDZBVIMKIJ-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM Cc1ccc(F)c(-c2nc3cc[nH]c3nc2C)c1[O-] ZINC001236405084 819453205 /nfs/dbraw/zinc/45/32/05/819453205.db2.gz IBDUGUPMVKKHLK-UHFFFAOYSA-N -1 1 257.268 3.086 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cccc2nsnc21 ZINC001243502655 823421407 /nfs/dbraw/zinc/42/14/07/823421407.db2.gz MQICORUGGOQNHE-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM Cn1c(=O)ccc2ccc(-c3cc(F)cc(F)c3[O-])cc21 ZINC001243507070 823424737 /nfs/dbraw/zinc/42/47/37/823424737.db2.gz RSEFJRJUWMNQQX-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM COc1cc(OC)cc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243504177 823422686 /nfs/dbraw/zinc/42/26/86/823422686.db2.gz NDOYJJJLOGKPAH-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM CC(C)c1ncc(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243506856 823424858 /nfs/dbraw/zinc/42/48/58/823424858.db2.gz MAIDIZIEGIPJHJ-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM COCOc1ccc(OC)cc1-c1cc(F)cc(F)c1[O-] ZINC001243506352 823423731 /nfs/dbraw/zinc/42/37/31/823423731.db2.gz TYJNOHOMORDFNZ-UHFFFAOYSA-N -1 1 296.269 3.329 20 0 CGADMM COC(=O)c1c(OC)cccc1-c1cc(F)cc(F)c1[O-] ZINC001243506209 823424091 /nfs/dbraw/zinc/42/40/91/823424091.db2.gz QLMVOGARVPEACD-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM [O-]c1cccc(-c2nccc(-c3ccco3)n2)c1F ZINC001243541061 823435957 /nfs/dbraw/zinc/43/59/57/823435957.db2.gz CSMJGIIJIUTUNK-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM C[C@H]1C[C@H]2CN(Cc3cc(Cl)c([O-])cc3F)CC[C@H]2O1 ZINC001238147387 819942482 /nfs/dbraw/zinc/94/24/82/819942482.db2.gz WETUOYDFOGTNSK-CCUNJIBTSA-N -1 1 299.773 3.184 20 0 CGADMM [O-]c1cc(-c2ncc(OCC3CC3)cn2)ccc1Cl ZINC001243577024 823451260 /nfs/dbraw/zinc/45/12/60/823451260.db2.gz ZALOVTOLXANYAP-UHFFFAOYSA-N -1 1 276.723 3.291 20 0 CGADMM Cc1nc2[nH]cnc2cc1-c1ccc(Cl)c([O-])c1 ZINC001243581053 823453691 /nfs/dbraw/zinc/45/36/91/823453691.db2.gz KUOQWZPORUZJGY-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM COCOc1ccc(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243581892 823453987 /nfs/dbraw/zinc/45/39/87/823453987.db2.gz LQHYLRUYUULMEI-UHFFFAOYSA-N -1 1 265.696 3.090 20 0 CGADMM CN1C(=O)NCc2cccc(-c3ccc(Cl)c([O-])c3)c21 ZINC001243584419 823455591 /nfs/dbraw/zinc/45/55/91/823455591.db2.gz RBMNLGNXNDNNLF-UHFFFAOYSA-N -1 1 288.734 3.372 20 0 CGADMM Cc1cc2[nH]ccc2c(-c2ccc(C(=O)[O-])cc2F)n1 ZINC001239247477 820239262 /nfs/dbraw/zinc/23/92/62/820239262.db2.gz VZHDIEOZCTYMIZ-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1nccc2nc[nH]c21 ZINC001243605090 823464313 /nfs/dbraw/zinc/46/43/13/823464313.db2.gz RESCQFJAFNSJNW-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1cnc2[nH]ccc2n1 ZINC001243607489 823465844 /nfs/dbraw/zinc/46/58/44/823465844.db2.gz BEMKTFWHNMUEGF-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1ccc2nc[nH]c2n1 ZINC001243610070 823466102 /nfs/dbraw/zinc/46/61/02/823466102.db2.gz ZYLXDXFOSUCYLT-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1ncnc2ncccc21 ZINC001243609457 823466117 /nfs/dbraw/zinc/46/61/17/823466117.db2.gz UXAKTFPBRKIAGD-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccccc3OC)cc2[n-]1 ZINC001239539712 820393855 /nfs/dbraw/zinc/39/38/55/820393855.db2.gz LATLJQKVWHDJOI-UHFFFAOYSA-N -1 1 282.299 3.025 20 0 CGADMM COC(=O)c1nc2cc(-c3ccccc3OC)ccc2[n-]1 ZINC001239539712 820393863 /nfs/dbraw/zinc/39/38/63/820393863.db2.gz LATLJQKVWHDJOI-UHFFFAOYSA-N -1 1 282.299 3.025 20 0 CGADMM COc1ccc(C(C)C)cc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001239660489 820497928 /nfs/dbraw/zinc/49/79/28/820497928.db2.gz WSXNXDITYTWDCI-UHFFFAOYSA-N -1 1 295.346 3.061 20 0 CGADMM COc1ccc(C(C)C)cc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001239660489 820497934 /nfs/dbraw/zinc/49/79/34/820497934.db2.gz WSXNXDITYTWDCI-UHFFFAOYSA-N -1 1 295.346 3.061 20 0 CGADMM COCc1cccc(-c2ccc3[n-]c(C(=O)OC)nc3c2)c1 ZINC001239936981 820718174 /nfs/dbraw/zinc/71/81/74/820718174.db2.gz RBVUHEJGLIYHEA-UHFFFAOYSA-N -1 1 296.326 3.163 20 0 CGADMM COCc1cccc(-c2ccc3nc(C(=O)OC)[n-]c3c2)c1 ZINC001239936981 820718178 /nfs/dbraw/zinc/71/81/78/820718178.db2.gz RBVUHEJGLIYHEA-UHFFFAOYSA-N -1 1 296.326 3.163 20 0 CGADMM CCCn1cc(-c2ccc3nc(C(=O)OCC)[n-]c3c2)cn1 ZINC001240133448 820843147 /nfs/dbraw/zinc/84/31/47/820843147.db2.gz OANLDRQCWUSMJP-UHFFFAOYSA-N -1 1 298.346 3.013 20 0 CGADMM CCCn1cc(-c2ccc3[n-]c(C(=O)OCC)nc3c2)cn1 ZINC001240133448 820843158 /nfs/dbraw/zinc/84/31/58/820843158.db2.gz OANLDRQCWUSMJP-UHFFFAOYSA-N -1 1 298.346 3.013 20 0 CGADMM CCOC(=O)/C=C/c1cccnc1-c1cc(F)ccc1[O-] ZINC001240694872 821250798 /nfs/dbraw/zinc/25/07/98/821250798.db2.gz YWTKIWXCFJSWOR-VMPITWQZSA-N -1 1 287.290 3.170 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc(F)c3C)ccc2[n-]1 ZINC001240729622 821282472 /nfs/dbraw/zinc/28/24/72/821282472.db2.gz ZRPHDHBSGKVPEV-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc(F)c3C)cc2[n-]1 ZINC001240729622 821282475 /nfs/dbraw/zinc/28/24/75/821282475.db2.gz ZRPHDHBSGKVPEV-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM [O-]c1ccc(-c2ncnc3cc(F)c(F)cc32)cc1F ZINC001240782634 821320882 /nfs/dbraw/zinc/32/08/82/821320882.db2.gz CGEHFUOWLBMSAB-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM [O-]c1ccc(-c2ncnc3cccc(F)c32)cc1F ZINC001240781556 821321208 /nfs/dbraw/zinc/32/12/08/821321208.db2.gz ALGNQWFVVIOUQR-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CC(C)COc1cncc(-c2ccc([O-])c(F)c2)n1 ZINC001240782944 821321304 /nfs/dbraw/zinc/32/13/04/821321304.db2.gz LJPPRKMLOTWNRO-UHFFFAOYSA-N -1 1 262.284 3.023 20 0 CGADMM COc1ccc2cnc(-c3ccc([O-])c(F)c3)nc2c1 ZINC001240783610 821324107 /nfs/dbraw/zinc/32/41/07/821324107.db2.gz VCONWJIZFMIYNR-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cccc(O)c3)ccc2[n-]1 ZINC001240927200 821421082 /nfs/dbraw/zinc/42/10/82/821421082.db2.gz OQMADXPEDSIGLV-UHFFFAOYSA-N -1 1 282.299 3.112 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cccc(O)c3)cc2[n-]1 ZINC001240927200 821421086 /nfs/dbraw/zinc/42/10/86/821421086.db2.gz OQMADXPEDSIGLV-UHFFFAOYSA-N -1 1 282.299 3.112 20 0 CGADMM [O-]c1cc(F)c(-c2ncnc3ccc(F)cc32)c(F)c1 ZINC001241117438 821571419 /nfs/dbraw/zinc/57/14/19/821571419.db2.gz OKPORBFOSVDHEM-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM CCOC(=O)c1cc(C)nc(-c2c(F)cc([O-])cc2F)c1 ZINC001241119225 821574493 /nfs/dbraw/zinc/57/44/93/821574493.db2.gz ZPICPGQWGIQNAU-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM Cn1ccc2cc(-c3c(F)cc([O-])cc3F)cnc21 ZINC001241120766 821577147 /nfs/dbraw/zinc/57/71/47/821577147.db2.gz KCDJKCJXDJQLIK-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CC(=O)Nc1ccccc1-c1c(F)cc([O-])cc1F ZINC001241120963 821577330 /nfs/dbraw/zinc/57/73/30/821577330.db2.gz VKINGJULRFEIIB-UHFFFAOYSA-N -1 1 263.243 3.296 20 0 CGADMM O=c1cc(-c2c(F)cc([O-])cc2F)ccn1C1CCC1 ZINC001241121617 821577491 /nfs/dbraw/zinc/57/74/91/821577491.db2.gz ODWCOSUHJAKPHB-UHFFFAOYSA-N -1 1 277.270 3.224 20 0 CGADMM CCOc1ncc(-c2c(F)cc([O-])cc2F)cc1C ZINC001241120893 821577601 /nfs/dbraw/zinc/57/76/01/821577601.db2.gz QQAPGWXKXDNPSH-UHFFFAOYSA-N -1 1 265.259 3.440 20 0 CGADMM O=C1CCc2cc(-c3c(F)cc([O-])cc3F)ccc2O1 ZINC001241121685 821578419 /nfs/dbraw/zinc/57/84/19/821578419.db2.gz BKQTUEWZOBBUBP-UHFFFAOYSA-N -1 1 276.238 3.189 20 0 CGADMM CC(C)n1ccc(-c2c(F)cc([O-])cc2F)cc1=O ZINC001241123037 821580366 /nfs/dbraw/zinc/58/03/66/821580366.db2.gz RDZGBABBDKLMDO-UHFFFAOYSA-N -1 1 265.259 3.080 20 0 CGADMM CC1(C)CNc2cc(-c3c(F)cc([O-])cc3F)cnc21 ZINC001241125040 821581273 /nfs/dbraw/zinc/58/12/73/821581273.db2.gz QLAQZYFTWAWPHU-UHFFFAOYSA-N -1 1 276.286 3.436 20 0 CGADMM Cc1ccc(-c2cnnc(-c3cc([O-])cc(F)c3)n2)cc1 ZINC001241255874 821676009 /nfs/dbraw/zinc/67/60/09/821676009.db2.gz GBHYMEIMKPWOSQ-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM [O-]c1cc(F)cc(-c2ncnc(-c3cccc(F)c3)n2)c1 ZINC001241262210 821681604 /nfs/dbraw/zinc/68/16/04/821681604.db2.gz XMQTXUUKOQXIKN-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM COc1ccc2nc(-c3c(F)ccc([O-])c3F)ncc2c1 ZINC001241289557 821707016 /nfs/dbraw/zinc/70/70/16/821707016.db2.gz VNTOEKKKEMVLES-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM [O-]c1ccc(F)c(-c2nc(C3CC3)nc3[nH]ccc32)c1F ZINC001241291437 821707569 /nfs/dbraw/zinc/70/75/69/821707569.db2.gz PBHTUSFQODCGPT-UHFFFAOYSA-N -1 1 287.269 3.438 20 0 CGADMM Cc1cnc(-c2c(F)ccc([O-])c2F)nc1N1CCCC1 ZINC001241290895 821707753 /nfs/dbraw/zinc/70/77/53/821707753.db2.gz QLCAGSCPOLHDFF-UHFFFAOYSA-N -1 1 291.301 3.036 20 0 CGADMM COc1ccc2ncc(-c3c(F)ccc([O-])c3F)nc2c1 ZINC001241291113 821708286 /nfs/dbraw/zinc/70/82/86/821708286.db2.gz FPGKPIUWOHFAES-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM CSc1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241293628 821710986 /nfs/dbraw/zinc/71/09/86/821710986.db2.gz XJYPATNQJUTPAD-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM COc1cccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242132194 822888387 /nfs/dbraw/zinc/88/83/87/822888387.db2.gz YXUCTZHIPZMHJY-UHFFFAOYSA-N -1 1 269.222 3.482 20 0 CGADMM COc1ncc(F)c(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242132186 822888440 /nfs/dbraw/zinc/88/84/40/822888440.db2.gz YRFFOEBIKIVIBQ-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM Cn1cnc2ccc(-c3ccc([O-])c(C(F)(F)F)c3)nc21 ZINC001242150958 822895522 /nfs/dbraw/zinc/89/55/22/822895522.db2.gz BCAWYNHBSOHVLE-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM Cc1cccc(-c2ncc3ncn(C(C)C)c3n2)c1[O-] ZINC001242344808 822957708 /nfs/dbraw/zinc/95/77/08/822957708.db2.gz BINUKPJODCXSID-UHFFFAOYSA-N -1 1 268.320 3.088 20 0 CGADMM COC(=O)c1c(F)ccc(-c2cccc(F)c2[O-])c1F ZINC001242350174 822960706 /nfs/dbraw/zinc/96/07/06/822960706.db2.gz BHARLFACSSMCSM-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COC(=O)c1ccc(-c2cccc(F)c2[O-])c(F)c1 ZINC001242350657 822961082 /nfs/dbraw/zinc/96/10/82/822961082.db2.gz IEEYFMMUKDDRTE-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM C[C@@H]1Oc2ccc(-c3cccc(Cl)c3[O-])cc2NC1=O ZINC001242364114 822968050 /nfs/dbraw/zinc/96/80/50/822968050.db2.gz CJBLCIGMXLPPJZ-QMMMGPOBSA-N -1 1 289.718 3.432 20 0 CGADMM Cn1c(=O)oc2cc(-c3cccc(Cl)c3[O-])ccc21 ZINC001242364876 822968167 /nfs/dbraw/zinc/96/81/67/822968167.db2.gz UIYDVGVXUMBMPX-UHFFFAOYSA-N -1 1 275.691 3.158 20 0 CGADMM O=C1Cc2cc(-c3cccc(Cl)c3[O-])ccc2N1 ZINC001242365143 822968421 /nfs/dbraw/zinc/96/84/21/822968421.db2.gz XOIXSUHMTYWOAS-UHFFFAOYSA-N -1 1 259.692 3.207 20 0 CGADMM [O-]c1c(Cl)cccc1-c1ccc(-c2nn[nH]n2)c(F)c1 ZINC001242365779 822969056 /nfs/dbraw/zinc/96/90/56/822969056.db2.gz KGEFRBPSYFQFHF-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM CCOC(=O)Cc1ccncc1-c1cccc(Cl)c1[O-] ZINC001242368213 822970186 /nfs/dbraw/zinc/97/01/86/822970186.db2.gz YSXXLIBYQICIME-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM O=c1cc(-c2cccc(Cl)c2[O-])cnn1-c1ccccc1 ZINC001242368026 822970348 /nfs/dbraw/zinc/97/03/48/822970348.db2.gz VOCOWMTYSQOUEW-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM Cc1ccc(Cl)cc1C[N-]C(=O)C(F)(F)C(F)F ZINC001339093882 936349586 /nfs/dbraw/zinc/34/95/86/936349586.db2.gz YDZDGLXZJRHIBK-UHFFFAOYSA-N -1 1 283.652 3.165 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCC[C@H](F)C1 ZINC001339541210 936376386 /nfs/dbraw/zinc/37/63/86/936376386.db2.gz ZXWLRHWMYDDKJN-SFYZADRCSA-N -1 1 273.254 3.137 20 0 CGADMM C/C=C/C=C/C(=O)Nc1ccc(Br)c([O-])c1 ZINC001339753246 936384883 /nfs/dbraw/zinc/38/48/83/936384883.db2.gz FWLXZEQPANFADT-MQQKCMAXSA-N -1 1 282.137 3.226 20 0 CGADMM CC(C)c1ccc2c(c1)[C@@H](NCc1cc(C(=O)[O-])n[nH]1)CC2 ZINC001350622141 936996350 /nfs/dbraw/zinc/99/63/50/936996350.db2.gz BLVQJZJVEALQQB-HNNXBMFYSA-N -1 1 299.374 3.008 20 0 CGADMM CC[C@H](C)CN(CC)C(=O)c1ccc([O-])cc1F ZINC000164470245 926705136 /nfs/dbraw/zinc/70/51/36/926705136.db2.gz CHPYNKGGOBPUJV-JTQLQIEISA-N -1 1 253.317 3.040 20 0 CGADMM CCC(C)(C)c1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001364510635 937233691 /nfs/dbraw/zinc/23/36/91/937233691.db2.gz AOIURPDIUKTHBM-UHFFFAOYSA-N -1 1 273.336 3.055 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)c1ccoc1 ZINC001434005262 937248217 /nfs/dbraw/zinc/24/82/17/937248217.db2.gz RXGHUZDUENUXFD-UHFFFAOYSA-N -1 1 282.093 3.000 20 0 CGADMM CSc1c(F)cccc1[N-]C(=O)c1cncs1 ZINC001437586049 937296001 /nfs/dbraw/zinc/29/60/01/937296001.db2.gz DFWRHOVKBJXGEZ-UHFFFAOYSA-N -1 1 268.338 3.256 20 0 CGADMM CC(C)c1cc([N-]C(=O)c2scnc2Cl)no1 ZINC001440299507 937328271 /nfs/dbraw/zinc/32/82/71/937328271.db2.gz YLJBXBMMABNQAI-UHFFFAOYSA-N -1 1 271.729 3.160 20 0 CGADMM O=C(Nc1ccc(-c2ccccc2)cc1)c1cnncc1O ZINC001440488632 937330183 /nfs/dbraw/zinc/33/01/83/937330183.db2.gz MDKAEYOOMBHZOH-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM O=C(Nc1ccc(-c2ccccc2)cc1)c1cnncc1[O-] ZINC001440488632 937330187 /nfs/dbraw/zinc/33/01/87/937330187.db2.gz MDKAEYOOMBHZOH-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM Cc1ccc(O)c(NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC001448617633 937376022 /nfs/dbraw/zinc/37/60/22/937376022.db2.gz FTPGFQMNCFQUKK-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)CC2CCCCC2)c([O-])c1 ZINC001448928172 937377191 /nfs/dbraw/zinc/37/71/91/937377191.db2.gz XQPXYNZUQTYBAR-LBPRGKRZSA-N -1 1 276.380 3.184 20 0 CGADMM CC[C@@H]1C[C@H]1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001449867455 937381988 /nfs/dbraw/zinc/38/19/88/937381988.db2.gz ZANQWVFJCZKPIY-PWSUYJOCSA-N -1 1 285.343 3.027 20 0 CGADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccccn1 ZINC001451787167 937392696 /nfs/dbraw/zinc/39/26/96/937392696.db2.gz FCVBOYRRDNSMPU-LLVKDONJSA-N -1 1 290.750 3.322 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1coc(C(F)F)c1 ZINC001454775186 937412241 /nfs/dbraw/zinc/41/22/41/937412241.db2.gz UXIQWKOSGCOWNX-UHFFFAOYSA-N -1 1 271.194 3.314 20 0 CGADMM O=C(Nc1ccsn1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001455122156 937414592 /nfs/dbraw/zinc/41/45/92/937414592.db2.gz PKKLZCCGWSTAEF-UHFFFAOYSA-N -1 1 288.250 3.120 20 0 CGADMM O=C(Nc1n[nH]cc1-c1ccccc1)c1ccc([O-])c(F)c1 ZINC001456906812 937436172 /nfs/dbraw/zinc/43/61/72/937436172.db2.gz DNJAPGDXKRULRG-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C(NC[C@H]1C[C@@H]1C1CCCC1)c1cc(F)ccc1[O-] ZINC001457309174 937440243 /nfs/dbraw/zinc/44/02/43/937440243.db2.gz KUNPSXZUOWOWKK-DGCLKSJQSA-N -1 1 277.339 3.087 20 0 CGADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001457762317 937445352 /nfs/dbraw/zinc/44/53/52/937445352.db2.gz LMRFJIYZTGJSDR-ZYUZMQFOSA-N -1 1 280.755 3.061 20 0 CGADMM O=c1cc(O[C@@H]2CCc3ccc(Cl)cc32)[nH]c(=S)[n-]1 ZINC001225765458 932039442 /nfs/dbraw/zinc/03/94/42/932039442.db2.gz LDYLMRZFPBXVHS-SNVBAGLBSA-N -1 1 294.763 3.191 20 0 CGADMM COC(C)(C)C[C@@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229130660 932101737 /nfs/dbraw/zinc/10/17/37/932101737.db2.gz BENKWSMCAOBCMP-SNVBAGLBSA-N -1 1 292.331 3.081 20 0 CGADMM COC(=O)c1c[n-]c(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 ZINC001230280009 932551000 /nfs/dbraw/zinc/55/10/00/932551000.db2.gz LBFPTMMSEABUJB-DMDPSCGWSA-N -1 1 280.368 3.036 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC2(CC2)Oc2ccccc21 ZINC001304756559 932855304 /nfs/dbraw/zinc/85/53/04/932855304.db2.gz AFDJJXAPIXTVRB-UHFFFAOYSA-N -1 1 299.301 3.103 20 0 CGADMM Cc1nc(SCCc2c(F)cccc2F)[n-]c(=O)c1C ZINC001307323355 932940864 /nfs/dbraw/zinc/94/08/64/932940864.db2.gz UCCXECDCZXRXGB-UHFFFAOYSA-N -1 1 296.342 3.412 20 0 CGADMM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc([O-])c1F ZINC001464420177 937690323 /nfs/dbraw/zinc/69/03/23/937690323.db2.gz JKABMFVNZQPHTC-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM Cc1cccc2c1CC[C@H]2NC(=O)c1ccc(F)c([O-])c1 ZINC001464982791 937697078 /nfs/dbraw/zinc/69/70/78/937697078.db2.gz AGVCWUKOCKMSKT-OAHLLOKOSA-N -1 1 285.318 3.257 20 0 CGADMM CC[C@@](C)(NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001465190095 937698736 /nfs/dbraw/zinc/69/87/36/937698736.db2.gz JOADQIDYEBJCSS-GOSISDBHSA-N -1 1 297.354 3.017 20 0 CGADMM CC(C)[C@H]1CN(C(=O)c2ccc([O-])cn2)c2ccccc21 ZINC001467702476 937720903 /nfs/dbraw/zinc/72/09/03/937720903.db2.gz KJONNYGIUQOGSH-CQSZACIVSA-N -1 1 282.343 3.187 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)c1ccco1 ZINC001468251855 937726003 /nfs/dbraw/zinc/72/60/03/937726003.db2.gz DPAKHHULYJIVCZ-UHFFFAOYSA-N -1 1 282.093 3.000 20 0 CGADMM CC/C=C/CNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001468429680 937727955 /nfs/dbraw/zinc/72/79/55/937727955.db2.gz UEFAAPVDWNKACM-ONEGZZNKSA-N -1 1 299.326 3.161 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1csc(Cl)n1 ZINC001469162789 937736271 /nfs/dbraw/zinc/73/62/71/937736271.db2.gz YJYRUDOTHXVJBH-UHFFFAOYSA-N -1 1 290.678 3.033 20 0 CGADMM CCCCOc1ccc(C(=O)NOC(C)(C)C)c([O-])c1 ZINC001320691288 934089771 /nfs/dbraw/zinc/08/97/71/934089771.db2.gz ZBUIOEXOTZQNCT-UHFFFAOYSA-N -1 1 281.352 3.031 20 0 CGADMM O=C(N[C@@H]1CCCC12CC2)c1ccc2ccc(O)cc2c1[O-] ZINC001470951538 937759966 /nfs/dbraw/zinc/75/99/66/937759966.db2.gz VFQXKPNNAJWQQN-OAHLLOKOSA-N -1 1 297.354 3.314 20 0 CGADMM COc1cc(C(=O)Nc2cccc(F)c2[O-])ccc1C ZINC001471166429 937762015 /nfs/dbraw/zinc/76/20/15/937762015.db2.gz JPMMFZRBZKSZEJ-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM C[C@H](C(=O)NCc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001471700282 937768499 /nfs/dbraw/zinc/76/84/99/937768499.db2.gz PBSZPLCCHYBTFB-NSHDSACASA-N -1 1 289.762 3.466 20 0 CGADMM CN(C(=O)c1cccc([O-])c1F)[C@H]1CCc2ccccc2C1 ZINC001472355616 937775761 /nfs/dbraw/zinc/77/57/61/937775761.db2.gz AMUULDGAKNSHMV-AWEZNQCLSA-N -1 1 299.345 3.161 20 0 CGADMM CC(=O)Nc1ccc(NCc2cccc([O-])c2Cl)nc1 ZINC001330333816 935285827 /nfs/dbraw/zinc/28/58/27/935285827.db2.gz HZYQRHMANVIIPB-UHFFFAOYSA-N -1 1 291.738 3.011 20 0 CGADMM Cc1ccc(-c2ccc(CN[C@@H](CCF)C(=O)[O-])o2)cc1 ZINC001332844561 935492286 /nfs/dbraw/zinc/49/22/86/935492286.db2.gz VEUHDKJWMBJDSN-AWEZNQCLSA-N -1 1 291.322 3.157 20 0 CGADMM CCc1cc(C(=O)[N-]c2c(C)noc2-c2ccccc2)no1 ZINC001521301687 938031123 /nfs/dbraw/zinc/03/11/23/938031123.db2.gz IOLKRBRUOOMXGK-UHFFFAOYSA-N -1 1 297.314 3.453 20 0 CGADMM C[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)[C@@H](C)C(C)(C)C ZINC001538229932 938116459 /nfs/dbraw/zinc/11/64/59/938116459.db2.gz NGWDUUPRBMMVTB-RNFRBKRXSA-N -1 1 292.305 3.080 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cn1)c1cccc2ccccc21 ZINC001540370779 938130675 /nfs/dbraw/zinc/13/06/75/938130675.db2.gz FDRMGDKLSVQUCB-GFCCVEGCSA-N -1 1 292.338 3.431 20 0 CGADMM O=C(NCc1ccccc1)c1c([O-])cnc2c(F)cccc21 ZINC001540427705 938131114 /nfs/dbraw/zinc/13/11/14/938131114.db2.gz YEPNFFYQGPGNKJ-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=C(NCc1cccc(Cl)c1)c1ccc(F)c([O-])c1 ZINC001540496358 938131520 /nfs/dbraw/zinc/13/15/20/938131520.db2.gz POZDXCIGEYXBCD-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ccc3c[nH]nc3c2)c1 ZINC001540627172 938132521 /nfs/dbraw/zinc/13/25/21/938132521.db2.gz OFKOYQXTXGFPGO-UHFFFAOYSA-N -1 1 299.355 3.243 20 0 CGADMM CC(C)(C)CCCCNC(=O)c1ccc(F)c([O-])c1 ZINC001543205922 938138335 /nfs/dbraw/zinc/13/83/35/938138335.db2.gz XLWALGRMMMRXOF-UHFFFAOYSA-N -1 1 267.344 3.478 20 0 CGADMM O=C(Nc1cccc(F)c1F)c1c(F)ccc([O-])c1F ZINC001544127471 938143595 /nfs/dbraw/zinc/14/35/95/938143595.db2.gz WHYORKGURWOZJI-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM Cc1ccnc(C(=O)N2CC[C@@]2(C)C2CCCCC2)c1[O-] ZINC001550414786 938166657 /nfs/dbraw/zinc/16/66/57/938166657.db2.gz ACGJBEKTVXRGGG-KRWDZBQOSA-N -1 1 288.391 3.281 20 0 CGADMM CC(C)C(CNC(=O)c1ccc(F)c([O-])c1)C(C)C ZINC001556258024 938202800 /nfs/dbraw/zinc/20/28/00/938202800.db2.gz QXLGZQDJYOSBGZ-UHFFFAOYSA-N -1 1 267.344 3.189 20 0 CGADMM CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001556810428 938206001 /nfs/dbraw/zinc/20/60/01/938206001.db2.gz KBNLMBMENCYLOI-AAEUAGOBSA-N -1 1 279.355 3.478 20 0 CGADMM C[C@H](CC(C)(C)C)NC(=O)c1ccc(F)c([O-])c1 ZINC001556940164 938206664 /nfs/dbraw/zinc/20/66/64/938206664.db2.gz GOYDSDLYBDKJFY-SECBINFHSA-N -1 1 253.317 3.086 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@H]1c1ccc(F)cc1 ZINC001557412858 938209794 /nfs/dbraw/zinc/20/97/94/938209794.db2.gz VYQYMCYHTSBVRM-AWEZNQCLSA-N -1 1 289.281 3.258 20 0 CGADMM Cc1ccc(C[C@H](C)C(=O)[N-]Oc2ccc(F)cc2)cc1 ZINC001557412127 938209811 /nfs/dbraw/zinc/20/98/11/938209811.db2.gz CNPFRFMTPBVDOE-ZDUSSCGKSA-N -1 1 287.334 3.423 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cc(C2CC2)on1 ZINC001558643943 938216805 /nfs/dbraw/zinc/21/68/05/938216805.db2.gz OFJKVXULCHAURG-UHFFFAOYSA-N -1 1 296.685 3.302 20 0 CGADMM CCc1ccc2c(c1)CN(C(=O)c1ccc([O-])c(F)c1)CC2 ZINC001558861423 938218057 /nfs/dbraw/zinc/21/80/57/938218057.db2.gz UWJCOFQKKGMAAP-UHFFFAOYSA-N -1 1 299.345 3.292 20 0 CGADMM Cc1cc([C@H](NCc2ccccc2F)C(=O)[O-])ccc1F ZINC000211798637 959697001 /nfs/dbraw/zinc/69/70/01/959697001.db2.gz ZEDWEPMPTIGDRI-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM Cc1oc(CN[C@H](C)c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000235185508 960394615 /nfs/dbraw/zinc/39/46/15/960394615.db2.gz DTTDDLDXLGOGDF-SNVBAGLBSA-N -1 1 284.315 3.009 20 0 CGADMM C[C@H](c1cccc(Cl)c1F)N1CCC[C@@H](C(=O)[O-])C1 ZINC001603286160 972522682 /nfs/dbraw/zinc/52/26/82/972522682.db2.gz DBVHMQXBCAYFMS-NXEZZACHSA-N -1 1 285.746 3.337 20 0 CGADMM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc([O-])cn1 ZINC001565660715 960802617 /nfs/dbraw/zinc/80/26/17/960802617.db2.gz FRENIUOYRSXWSB-ZDUSSCGKSA-N -1 1 284.359 3.228 20 0 CGADMM CC(C)(NC(=O)c1ccc(F)c([O-])c1)c1cccs1 ZINC001565767965 960822874 /nfs/dbraw/zinc/82/28/74/960822874.db2.gz FHPGIJZTOKHMAE-UHFFFAOYSA-N -1 1 279.336 3.258 20 0 CGADMM CCc1ccc(C(=O)Nc2cc([C@@H]3C[C@@H]3C)[nH]n2)c([O-])c1 ZINC001570719344 962057062 /nfs/dbraw/zinc/05/70/62/962057062.db2.gz UEDDPEUKEZOGSA-JOYOIKCWSA-N -1 1 285.347 3.053 20 0 CGADMM CC(C)(CNC(=O)c1cccc([O-])c1F)CC(F)(F)F ZINC001585496143 963013839 /nfs/dbraw/zinc/01/38/39/963013839.db2.gz AOVMDXYFDXRQHF-UHFFFAOYSA-N -1 1 293.260 3.240 20 0 CGADMM C[C@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001585572347 963027427 /nfs/dbraw/zinc/02/74/27/963027427.db2.gz NXRGOOSCMCMLEB-GZMMTYOYSA-N -1 1 287.281 3.329 20 0 CGADMM CCC(CC)(CNC(=O)c1cccc([O-])c1F)SC ZINC001587064076 963162910 /nfs/dbraw/zinc/16/29/10/963162910.db2.gz PPUTWBZTEYTNKI-UHFFFAOYSA-N -1 1 285.384 3.183 20 0 CGADMM C[C@@H](Cc1cccs1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC001587624892 963207364 /nfs/dbraw/zinc/20/73/64/963207364.db2.gz JEVGJGYTFYVDAZ-JTQLQIEISA-N -1 1 293.363 3.296 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cn1)c1c(F)cccc1Cl ZINC001587646733 963208530 /nfs/dbraw/zinc/20/85/30/963208530.db2.gz FTQWPJMFYJXMPP-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM C/C(=C/CN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1)C(=O)[O-] ZINC001588959009 963330213 /nfs/dbraw/zinc/33/02/13/963330213.db2.gz DHVSHDTUKREILK-WASHYIJTSA-N -1 1 299.374 3.039 20 0 CGADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cn1 ZINC001589131172 963352103 /nfs/dbraw/zinc/35/21/03/963352103.db2.gz CZMWXCVAKHGZEB-JTQLQIEISA-N -1 1 290.750 3.284 20 0 CGADMM CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328360864 968052897 /nfs/dbraw/zinc/05/28/97/968052897.db2.gz SSSUVWBBJUYYPV-OAHLLOKOSA-N -1 1 297.782 3.122 20 0 CGADMM CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328360864 968052901 /nfs/dbraw/zinc/05/29/01/968052901.db2.gz SSSUVWBBJUYYPV-OAHLLOKOSA-N -1 1 297.782 3.122 20 0 CGADMM CCCC[C@H](NCc1cc2cc(C)ccc2o1)C(=O)[O-] ZINC001595638270 981943579 /nfs/dbraw/zinc/94/35/79/981943579.db2.gz MKCHBYNUJXAOLK-AWEZNQCLSA-N -1 1 275.348 3.474 20 0 CGADMM CC[C@H](C)N(CC(=O)[O-])Cc1nccc(Cl)c1Cl ZINC001594981850 982774255 /nfs/dbraw/zinc/77/42/55/982774255.db2.gz IWZIELKHGQJFMP-QMMMGPOBSA-N -1 1 291.178 3.074 20 0 CGADMM CCN(CCC(=O)[O-])Cc1csc(Cl)c1Cl ZINC001596316185 983749316 /nfs/dbraw/zinc/74/93/16/983749316.db2.gz ZKJALCJMGMABCO-UHFFFAOYSA-N -1 1 282.192 3.352 20 0 CGADMM C[C@@H]1Oc2ccccc2[C@H]1NCc1csc(C(=O)[O-])c1 ZINC001594655990 986901023 /nfs/dbraw/zinc/90/10/23/986901023.db2.gz ZTGCQGATFFDHIL-XPTSAGLGSA-N -1 1 289.356 3.058 20 0 CGADMM CCc1oc(CN2CC(C)(C)[C@@H]2C2CC2)cc1C(=O)[O-] ZINC001597796417 989354178 /nfs/dbraw/zinc/35/41/78/989354178.db2.gz ONAFEDQEWBFBMO-AWEZNQCLSA-N -1 1 277.364 3.161 20 0 CGADMM C[C@@H](NC/C=C/c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593258215 994539965 /nfs/dbraw/zinc/53/99/65/994539965.db2.gz XTDAXJLOFDPJEC-FZKGZDJFSA-N -1 1 271.316 3.342 20 0 CGADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCC[C@@]2(CC=CCC2)C1 ZINC001593729155 996291313 /nfs/dbraw/zinc/29/13/13/996291313.db2.gz JRNSOKSNUDYJPJ-WBMJQRKESA-N -1 1 290.363 3.256 20 0 CGADMM CC1(C)CN(Cc2ccc(C(=O)[O-])cn2)Cc2ccccc21 ZINC001593942111 996964196 /nfs/dbraw/zinc/96/41/96/996964196.db2.gz DRCKGPPCGJFCGX-UHFFFAOYSA-N -1 1 296.370 3.073 20 0 CGADMM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1cc2c(cn1)CCCC2 ZINC001594184383 998715307 /nfs/dbraw/zinc/71/53/07/998715307.db2.gz JQDROLDYBDGPQK-XUJVJEKNSA-N -1 1 288.391 3.262 20 0 CGADMM CC[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@@H](C)O1 ZINC000350698335 219049053 /nfs/dbraw/zinc/04/90/53/219049053.db2.gz CZULZDHVSYNMKJ-ZYHUDNBSSA-N -1 1 269.772 3.045 20 0 CGADMM CN(Cc1cscn1)Cc1cccc([O-])c1Cl ZINC000350721798 219051224 /nfs/dbraw/zinc/05/12/24/219051224.db2.gz XCBUJQBPGAPGQN-UHFFFAOYSA-N -1 1 268.769 3.134 20 0 CGADMM CC[C@]1(C)CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000175258865 529394490 /nfs/dbraw/zinc/39/44/90/529394490.db2.gz VIHZANVKSRZQHY-OAHLLOKOSA-N -1 1 265.328 3.184 20 0 CGADMM CCc1[nH]nc(NC(=O)c2ccc3ccccc3c2[O-])c1C ZINC000155860507 529470228 /nfs/dbraw/zinc/47/02/28/529470228.db2.gz GZEBEKMSWMSCBY-UHFFFAOYSA-N -1 1 295.342 3.392 20 0 CGADMM O=C(NC1CCCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000622272646 349666483 /nfs/dbraw/zinc/66/64/83/349666483.db2.gz AGOCNWRDBNITHI-UHFFFAOYSA-N -1 1 287.281 3.474 20 0 CGADMM CCc1ccc(C(=O)Nc2ccnn2CC(C)C)c([O-])c1 ZINC000436822302 529610959 /nfs/dbraw/zinc/61/09/59/529610959.db2.gz SYIMGFAUKPEBRC-UHFFFAOYSA-N -1 1 287.363 3.059 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1C ZINC000350897212 529688564 /nfs/dbraw/zinc/68/85/64/529688564.db2.gz OPBWKFVROLVFCM-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM CN(C)c1ccc(Cl)cc1NC(=O)c1ccccc1[O-] ZINC000436545827 529783005 /nfs/dbraw/zinc/78/30/05/529783005.db2.gz NDLNMNMDQNEMRK-UHFFFAOYSA-N -1 1 290.750 3.364 20 0 CGADMM CN(CC1CCC1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436762721 529863164 /nfs/dbraw/zinc/86/31/64/529863164.db2.gz GJVYVKYONICGRL-UHFFFAOYSA-N -1 1 287.281 3.283 20 0 CGADMM C[C@@H]1c2ccsc2CCN1Cc1occc1C(=O)[O-] ZINC000042771633 344987958 /nfs/dbraw/zinc/98/79/58/344987958.db2.gz ZUHHFPYMAPVTSX-SECBINFHSA-N -1 1 277.345 3.159 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(C)cc1 ZINC000051361365 345089222 /nfs/dbraw/zinc/08/92/22/345089222.db2.gz YIMLEQILFHIBAP-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM CC(C)n1c(CNC(=O)C=C2CCCCC2)n[n-]c1=S ZINC000067071839 345313651 /nfs/dbraw/zinc/31/36/51/345313651.db2.gz HNTWXXNENUVZSD-UHFFFAOYSA-N -1 1 294.424 3.028 20 0 CGADMM COc1cccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000074934509 345488194 /nfs/dbraw/zinc/48/81/94/345488194.db2.gz VZEZTJSNMNRPQC-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM CC(C)Cn1cc([N-]c2nc(C(C)C)ns2)cn1 ZINC000092658394 345850424 /nfs/dbraw/zinc/85/04/24/345850424.db2.gz JOQWETFKBNVXJE-UHFFFAOYSA-N -1 1 265.386 3.258 20 0 CGADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1cccnc1 ZINC000172176020 232271509 /nfs/dbraw/zinc/27/15/09/232271509.db2.gz XPVDZVRAHHAGKH-GFCCVEGCSA-N -1 1 292.338 3.431 20 0 CGADMM COc1ccc2oc(C(=O)Nc3ccncc3[O-])c(C)c2c1 ZINC000109890956 345944080 /nfs/dbraw/zinc/94/40/80/345944080.db2.gz UYNOWVLFADQWDI-UHFFFAOYSA-N -1 1 298.298 3.103 20 0 CGADMM O=C(NCc1cccc2cccnc21)c1cc(F)ccc1[O-] ZINC000175208867 232314460 /nfs/dbraw/zinc/31/44/60/232314460.db2.gz LFIKCASEZFQFKQ-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(F)cc1Cl ZINC000128093369 346037216 /nfs/dbraw/zinc/03/72/16/346037216.db2.gz USIFAKGLCIDFBQ-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1F ZINC000147948226 346127079 /nfs/dbraw/zinc/12/70/79/346127079.db2.gz JRLISUFNWQFEAE-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM O=C(NCc1ccccc1Cl)c1ccc([O-])cc1F ZINC000181055267 232409741 /nfs/dbraw/zinc/40/97/41/232409741.db2.gz PURMUHZEIZTSCW-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM C[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229307263 346316884 /nfs/dbraw/zinc/31/68/84/346316884.db2.gz YRPMPVOKKVAZCC-TVQRCGJNSA-N -1 1 285.746 3.164 20 0 CGADMM CN(Cc1ccc[nH]1)Cc1cccc([O-])c1Cl ZINC000351728816 219189047 /nfs/dbraw/zinc/18/90/47/219189047.db2.gz HXZNWSKLLYDCOV-UHFFFAOYSA-N -1 1 250.729 3.006 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(C2CCSCC2)no1 ZINC000350856301 346524952 /nfs/dbraw/zinc/52/49/52/346524952.db2.gz BLUAELHFFMRLJV-UHFFFAOYSA-N -1 1 280.324 3.192 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccco1 ZINC000584845343 346718837 /nfs/dbraw/zinc/71/88/37/346718837.db2.gz SVNOUJMONOFUIS-GFCCVEGCSA-N -1 1 275.304 3.216 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2C)cc1 ZINC000128722566 187386131 /nfs/dbraw/zinc/38/61/31/187386131.db2.gz KREJFTJTIBIYNV-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM O=C(CC1CCCCC1)Nc1c([O-])cccc1F ZINC000605435905 348155052 /nfs/dbraw/zinc/15/50/52/348155052.db2.gz IYKQDKDNDRAYFL-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM Cc1ccc(CCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000605440017 348156005 /nfs/dbraw/zinc/15/60/05/348156005.db2.gz ZSWIMLYGADUDPO-UHFFFAOYSA-N -1 1 273.307 3.411 20 0 CGADMM CCC[C@@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000608078527 348281950 /nfs/dbraw/zinc/28/19/50/348281950.db2.gz FWKWQYOWPOJZQU-SNVBAGLBSA-N -1 1 286.379 3.462 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc2c(c1)CCC2 ZINC000608367285 348302279 /nfs/dbraw/zinc/30/22/79/348302279.db2.gz OIAAZDHDBDRULY-UHFFFAOYSA-N -1 1 271.291 3.272 20 0 CGADMM O=C(N[C@H](CC1CC1)c1ccccc1)c1cncc([O-])c1 ZINC000608470709 348310959 /nfs/dbraw/zinc/31/09/59/348310959.db2.gz FTWHMKNPVDGTLL-MRXNPFEDSA-N -1 1 282.343 3.058 20 0 CGADMM O=C([N-]c1c(F)cc(F)cc1F)c1noc2c1CCCC2 ZINC000608557388 348317104 /nfs/dbraw/zinc/31/71/04/348317104.db2.gz IQKOJZHCFSBPJE-UHFFFAOYSA-N -1 1 296.248 3.223 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1onc2c1CCCC2 ZINC000612758993 348544209 /nfs/dbraw/zinc/54/42/09/348544209.db2.gz FNGNQPQKJVVRSY-UHFFFAOYSA-N -1 1 292.722 3.165 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C2CCCC2)cc1 ZINC000615221053 348723878 /nfs/dbraw/zinc/72/38/78/348723878.db2.gz XPVAUENRQUEQBD-UHFFFAOYSA-N -1 1 285.347 3.334 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H]1C(F)(F)F ZINC000615032139 348709750 /nfs/dbraw/zinc/70/97/50/348709750.db2.gz DZKQVADYRVKYKT-GFCCVEGCSA-N -1 1 295.260 3.322 20 0 CGADMM C[C@@]1(CNC(=O)c2cc3ccccc3cc2[O-])CC1(F)F ZINC000618604975 349119989 /nfs/dbraw/zinc/11/99/89/349119989.db2.gz UDTUSZYQFUGBNH-HNNXBMFYSA-N -1 1 291.297 3.321 20 0 CGADMM CCOc1cc(C(=O)N[C@H](CC)C2CC2)cc(Cl)c1[O-] ZINC000618862275 349165526 /nfs/dbraw/zinc/16/55/26/349165526.db2.gz UFRGXFFPTLASQC-GFCCVEGCSA-N -1 1 297.782 3.363 20 0 CGADMM O=C(NCC1=CCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000620007744 349306244 /nfs/dbraw/zinc/30/62/44/349306244.db2.gz GWAXMKIDZBNRFP-UHFFFAOYSA-N -1 1 285.265 3.251 20 0 CGADMM CN(C[C@H]1CCc2ccccc21)C(=O)c1ccc([O-])cc1F ZINC000620686889 349411169 /nfs/dbraw/zinc/41/11/69/349411169.db2.gz KODLFGLGJPZSGS-CYBMUJFWSA-N -1 1 299.345 3.333 20 0 CGADMM C[C@@H]1CC=CC[C@@H]1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000352217442 219368425 /nfs/dbraw/zinc/36/84/25/219368425.db2.gz JUQJZAJPUUVPEH-MNOVXSKESA-N -1 1 287.388 3.101 20 0 CGADMM O=C(CNC(=O)c1cc2ccccc2cc1[O-])C1CCCC1 ZINC000628996080 350633209 /nfs/dbraw/zinc/63/32/09/350633209.db2.gz IXICYOSBXGOROU-UHFFFAOYSA-N -1 1 297.354 3.035 20 0 CGADMM CCC[C@@H](C)CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629376199 350683320 /nfs/dbraw/zinc/68/33/20/350683320.db2.gz GEOIGISFOMDLHJ-GFCCVEGCSA-N -1 1 287.363 3.343 20 0 CGADMM CC1(CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCCC1 ZINC000629379653 350685261 /nfs/dbraw/zinc/68/52/61/350685261.db2.gz GSFJIVMIYPGHKQ-UHFFFAOYSA-N -1 1 299.374 3.487 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC1CCCCC1 ZINC000630395047 350833357 /nfs/dbraw/zinc/83/33/57/350833357.db2.gz NRSHUSOLKWWFPC-UHFFFAOYSA-N -1 1 267.756 3.037 20 0 CGADMM Cc1nc(SCc2ccncc2F)[n-]c(=O)c1C1CC1 ZINC000631023508 350926479 /nfs/dbraw/zinc/92/64/79/350926479.db2.gz UQCHAORYPSUWPE-UHFFFAOYSA-N -1 1 291.351 3.194 20 0 CGADMM Cc1nc(SCC(=O)C2CCCC2)[n-]c(=O)c1C1CC1 ZINC000631022906 350926685 /nfs/dbraw/zinc/92/66/85/350926685.db2.gz CYQYAMWHNPDLIB-UHFFFAOYSA-N -1 1 292.404 3.219 20 0 CGADMM Cc1nc(SCc2cccc(N)c2)[n-]c(=O)c1C1CC1 ZINC000631022890 350926705 /nfs/dbraw/zinc/92/67/05/350926705.db2.gz CMGLLZRYCRVZSP-UHFFFAOYSA-N -1 1 287.388 3.243 20 0 CGADMM COC(C)(C)CCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023188 350926761 /nfs/dbraw/zinc/92/67/61/350926761.db2.gz KOIOAKXKXHLNBF-UHFFFAOYSA-N -1 1 282.409 3.275 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1CC12CCCC2 ZINC000632759784 351213080 /nfs/dbraw/zinc/21/30/80/351213080.db2.gz JXYGLWQGUNXRSH-CYBMUJFWSA-N -1 1 279.767 3.037 20 0 CGADMM C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@H](C)C1 ZINC000633489724 351310640 /nfs/dbraw/zinc/31/06/40/351310640.db2.gz GKIVEOJSKHYAPM-GHMZBOCLSA-N -1 1 281.783 3.235 20 0 CGADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])[C@@H]1c1ccco1 ZINC000633790718 351374882 /nfs/dbraw/zinc/37/48/82/351374882.db2.gz AFMTWEPGMAHSRR-CQSZACIVSA-N -1 1 289.306 3.348 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(Br)cc3)c(=O)c21 ZINC000634588095 351526712 /nfs/dbraw/zinc/52/67/12/351526712.db2.gz JERQFELAIVRLSN-PELKAZGASA-N -1 1 293.164 3.198 20 0 CGADMM O=c1c2c([n-]n1Cc1ccc(C(F)(F)F)cc1)CCC2 ZINC000634591175 351527932 /nfs/dbraw/zinc/52/79/32/351527932.db2.gz VQINDUFAYDTOTE-LLVKDONJSA-N -1 1 282.265 3.204 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccc(F)c(F)c2F)c1=O ZINC000634594871 351531336 /nfs/dbraw/zinc/53/13/36/351531336.db2.gz JKTHQAZOLHGJTE-MRVPVSSYSA-N -1 1 270.254 3.243 20 0 CGADMM O=c1c2c([n-]n1CC(F)(F)C(F)(F)F)CCCCCC2 ZINC000634604542 351538667 /nfs/dbraw/zinc/53/86/67/351538667.db2.gz JLQJQZQLRQOMLG-MRVPVSSYSA-N -1 1 298.255 3.353 20 0 CGADMM Cc1cnccc1-n1[n-]c2c(c1=O)CCCc1ccccc1-2 ZINC000634606451 351539888 /nfs/dbraw/zinc/53/98/88/351539888.db2.gz SNIUWTGOGKDHQD-OAHLLOKOSA-N -1 1 291.354 3.093 20 0 CGADMM CCCc1c(C)[n-]n(-c2cc(F)c(F)c(F)c2)c1=O ZINC000634614014 351543839 /nfs/dbraw/zinc/54/38/39/351543839.db2.gz OVFSURVCKPDVHZ-VIFPVBQESA-N -1 1 270.254 3.243 20 0 CGADMM Cc1[n-]n(-c2nc3ccccc3cc2C)c(=O)c1C1CC1 ZINC000634615852 351545229 /nfs/dbraw/zinc/54/52/29/351545229.db2.gz TVTQMVSVACAALF-HNNXBMFYSA-N -1 1 279.343 3.292 20 0 CGADMM CCCc1c(C)[n-]n(Cc2cnc3ccccc3c2)c1=O ZINC000634617901 351545922 /nfs/dbraw/zinc/54/59/22/351545922.db2.gz AHBLWGNXZJWQKL-OAHLLOKOSA-N -1 1 281.359 3.369 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(Br)c(F)c2)c1=O ZINC000634616667 351546054 /nfs/dbraw/zinc/54/60/54/351546054.db2.gz TUBLFKNJRINZAZ-VIFPVBQESA-N -1 1 299.143 3.337 20 0 CGADMM CC(C)[C@@H]1CCc2[n-]n([C@H]3CCOC(C)(C)C3)c(=O)c2C1 ZINC000634621293 351548100 /nfs/dbraw/zinc/54/81/00/351548100.db2.gz DSZZWOUOWPKTNA-HZSPNIEDSA-N -1 1 292.423 3.215 20 0 CGADMM CCCc1[n-]n([C@@H](C)c2ccncc2)c(=O)c1CC ZINC000634626503 351550004 /nfs/dbraw/zinc/55/00/04/351550004.db2.gz GHRJCWVAGJPHRG-WCQYABFASA-N -1 1 259.353 3.167 20 0 CGADMM CCc1nc([C@@H](C)NC(=O)c2c([O-])cccc2F)cs1 ZINC000124064238 187120974 /nfs/dbraw/zinc/12/09/74/187120974.db2.gz WMLWRRAPPAQEDS-MRVPVSSYSA-N -1 1 294.351 3.041 20 0 CGADMM CC[C@@H](NC(=O)c1c([O-])cccc1F)c1nc(C)cs1 ZINC000123374594 187087564 /nfs/dbraw/zinc/08/75/64/187087564.db2.gz CMZIHMALCYHQRL-SNVBAGLBSA-N -1 1 294.351 3.177 20 0 CGADMM O=C([O-])c1ccc(CNCc2cc(Cl)ccc2F)cc1 ZINC000426695311 236307043 /nfs/dbraw/zinc/30/70/43/236307043.db2.gz IUCRWUHMTKKZNL-UHFFFAOYSA-N -1 1 293.725 3.467 20 0 CGADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(C)c2)o1 ZINC000426800210 236315426 /nfs/dbraw/zinc/31/54/26/236315426.db2.gz NPGUQCLRZISLHN-AWEZNQCLSA-N -1 1 273.332 3.202 20 0 CGADMM Cc1cc(C)cc([C@H](NCc2ccccc2F)C(=O)[O-])c1 ZINC000426757678 236312098 /nfs/dbraw/zinc/31/20/98/236312098.db2.gz PVVHBFZVMNIJGC-INIZCTEOSA-N -1 1 287.334 3.358 20 0 CGADMM Cc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1Cl ZINC000436667496 237156105 /nfs/dbraw/zinc/15/61/05/237156105.db2.gz YRCORPFYXTVSSJ-UHFFFAOYSA-N -1 1 289.718 3.175 20 0 CGADMM COc1ccnc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436564806 237131873 /nfs/dbraw/zinc/13/18/73/237131873.db2.gz TUJANEBKNZTCFB-UHFFFAOYSA-N -1 1 286.331 3.172 20 0 CGADMM CS[C@H](CNC(=O)c1cc(F)ccc1[O-])C(C)(C)C ZINC000436826487 237190697 /nfs/dbraw/zinc/19/06/97/237190697.db2.gz ADUBWAPOSLVHMZ-GFCCVEGCSA-N -1 1 285.384 3.039 20 0 CGADMM Cc1cc(C(=O)[N-]c2csnc2-c2ccccc2)on1 ZINC000436720056 237166481 /nfs/dbraw/zinc/16/64/81/237166481.db2.gz IJNQUUVMFFRIOJ-UHFFFAOYSA-N -1 1 285.328 3.359 20 0 CGADMM CN(C(=O)c1cc(Br)ccc1[O-])[C@@H]1CC1(C)C ZINC000436728868 237169523 /nfs/dbraw/zinc/16/95/23/237169523.db2.gz OMSNHPUMCYWAEB-LLVKDONJSA-N -1 1 298.180 3.025 20 0 CGADMM O=C(NC[C@H]1CCC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000436898948 237204822 /nfs/dbraw/zinc/20/48/22/237204822.db2.gz IIXFPRWCLDVDHP-QMMMGPOBSA-N -1 1 289.709 3.211 20 0 CGADMM CCC(CC)(CC)NC(=O)c1ccc([O-])cc1F ZINC000181999070 189311704 /nfs/dbraw/zinc/31/17/04/189311704.db2.gz LJJTXPBHIVGCIK-UHFFFAOYSA-N -1 1 253.317 3.230 20 0 CGADMM Cc1nsc([N-]c2cnn(CCC(C)C)c2C)n1 ZINC000301970209 201281175 /nfs/dbraw/zinc/28/11/75/201281175.db2.gz CZSHPFSHTXBPAY-UHFFFAOYSA-N -1 1 265.386 3.141 20 0 CGADMM CC(=O)c1ccc(CSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000450902247 240145743 /nfs/dbraw/zinc/14/57/43/240145743.db2.gz JTBRYQMKPDKLBE-UHFFFAOYSA-N -1 1 288.372 3.294 20 0 CGADMM COc1cc(C(=O)NC(C)(C)C2CCC2)cc(Cl)c1[O-] ZINC000456146061 241366662 /nfs/dbraw/zinc/36/66/62/241366662.db2.gz MRSFSKIMDYGRPL-UHFFFAOYSA-N -1 1 297.782 3.363 20 0 CGADMM CCc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)s1 ZINC000343057557 216643575 /nfs/dbraw/zinc/64/35/75/216643575.db2.gz WDUAGYQPKHNLNR-UHFFFAOYSA-N -1 1 297.326 3.224 20 0 CGADMM CSCCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000463261469 242391252 /nfs/dbraw/zinc/39/12/52/242391252.db2.gz IIOKCTWGUCZXHY-UHFFFAOYSA-N -1 1 284.328 3.046 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCC[C@@H](F)C1 ZINC000335515381 212201276 /nfs/dbraw/zinc/20/12/76/212201276.db2.gz RAKQSBJXOYJTRI-JGVFFNPUSA-N -1 1 273.254 3.137 20 0 CGADMM O=C([O-])[C@H]1CCCCN1Cc1cccc(Cl)c1Cl ZINC000003754682 368519946 /nfs/dbraw/zinc/51/99/46/368519946.db2.gz KHLNPHNQAULBBB-LLVKDONJSA-N -1 1 288.174 3.433 20 0 CGADMM COc1ccc(C(=O)Nc2cc(C)cc(C)c2)c([O-])c1 ZINC000019839811 368771751 /nfs/dbraw/zinc/77/17/51/368771751.db2.gz DRAUMJJMASKDDQ-UHFFFAOYSA-N -1 1 271.316 3.270 20 0 CGADMM CCc1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000019839968 368772229 /nfs/dbraw/zinc/77/22/29/368772229.db2.gz DWIAARHHJKQDIN-UHFFFAOYSA-N -1 1 271.316 3.216 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1 ZINC000034396949 368973930 /nfs/dbraw/zinc/97/39/30/368973930.db2.gz HBJPBMSSLGYDCR-UHFFFAOYSA-N -1 1 286.356 3.277 20 0 CGADMM Cc1n[nH]c(C)c1NC(=O)c1cc2ccccc2cc1[O-] ZINC000036819340 369031168 /nfs/dbraw/zinc/03/11/68/369031168.db2.gz NNWVBBSNMUFZCO-UHFFFAOYSA-N -1 1 281.315 3.138 20 0 CGADMM CC(C)N(CC1CC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000048185928 369336707 /nfs/dbraw/zinc/33/67/07/369336707.db2.gz JTXSBVNSZVHYGU-UHFFFAOYSA-N -1 1 267.756 3.306 20 0 CGADMM CC(C)CCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000063242598 369644773 /nfs/dbraw/zinc/64/47/73/369644773.db2.gz AAFJMIBQGROGCY-UHFFFAOYSA-N -1 1 255.745 3.212 20 0 CGADMM CCCc1cnc(NC(=O)c2ccccc2[O-])s1 ZINC000064479764 369653402 /nfs/dbraw/zinc/65/34/02/369653402.db2.gz JFLNPNGZRHQKSO-UHFFFAOYSA-N -1 1 262.334 3.054 20 0 CGADMM O=C(Nc1cccc(-c2nccs2)c1)c1cncc([O-])c1 ZINC000111775402 370406719 /nfs/dbraw/zinc/40/67/19/370406719.db2.gz IENKZADCQUYHEB-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM COC[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000113435586 370474293 /nfs/dbraw/zinc/47/42/93/370474293.db2.gz IBSNEJDNLPCOFR-ZDUSSCGKSA-N -1 1 299.370 3.044 20 0 CGADMM CCN(Cc1cccc(Cl)c1)C(=O)c1ncccc1[O-] ZINC000135368443 371420774 /nfs/dbraw/zinc/42/07/74/371420774.db2.gz YTHGDPQUKOWNFM-UHFFFAOYSA-N -1 1 290.750 3.103 20 0 CGADMM CCC[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000137773664 371500768 /nfs/dbraw/zinc/50/07/68/371500768.db2.gz QHYXLYILCXVWDC-NSHDSACASA-N -1 1 265.328 3.184 20 0 CGADMM CN(Cc1ccc(Cl)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000149001007 371526120 /nfs/dbraw/zinc/52/61/20/371526120.db2.gz BYBUZMIYSYEZIN-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(Cl)cc2O)c([O-])c1 ZINC000153469803 371771883 /nfs/dbraw/zinc/77/18/83/371771883.db2.gz HTOWOQWOVHDYAU-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM Cc1ncc(Cl)c(C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000153515273 371775058 /nfs/dbraw/zinc/77/50/58/371775058.db2.gz ZZCQKSOYHMAAGS-UHFFFAOYSA-N -1 1 298.129 3.050 20 0 CGADMM Cc1nc(CSc2nc(C(F)F)cc(=O)[n-]2)oc1C ZINC000289620949 371775983 /nfs/dbraw/zinc/77/59/83/371775983.db2.gz VBPQSTOOFSWBNX-UHFFFAOYSA-N -1 1 287.291 3.017 20 0 CGADMM CS[C@H]1CCCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000154315876 371836109 /nfs/dbraw/zinc/83/61/09/371836109.db2.gz TXWGYKCVTSLFJW-NSHDSACASA-N -1 1 299.823 3.403 20 0 CGADMM Oc1cc(F)cc(C[N@H+]2CCCc3occc3C2)c1 ZINC000290264254 371950233 /nfs/dbraw/zinc/95/02/33/371950233.db2.gz XCNFDUDRZQFPJJ-UHFFFAOYSA-N -1 1 261.296 3.073 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCCc2ccccc2CC1 ZINC000456314223 296181380 /nfs/dbraw/zinc/18/13/80/296181380.db2.gz OWDHZWKTVVPXRR-UHFFFAOYSA-N -1 1 299.345 3.162 20 0 CGADMM FC(F)(F)c1csc(=N[C@H]2CC23CCCC3)[n-]1 ZINC000428683542 372251603 /nfs/dbraw/zinc/25/16/03/372251603.db2.gz UDGVTHRORWZQEB-ZETCQYMHSA-N -1 1 262.300 3.328 20 0 CGADMM CO[C@@H]1CCCC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000293131886 372306579 /nfs/dbraw/zinc/30/65/79/372306579.db2.gz JBIRESDDCVHGAK-DGCLKSJQSA-N -1 1 292.310 3.254 20 0 CGADMM C[C@@H](C(=O)[N-]OCC1CC1)c1cccc(Br)c1 ZINC000293776018 372477458 /nfs/dbraw/zinc/47/74/58/372477458.db2.gz NEQKTPIOXRHYSL-SECBINFHSA-N -1 1 298.180 3.010 20 0 CGADMM C[C@H](C(=O)[N-]OCC1CC1)c1ccc2ccccc2c1 ZINC000293745235 372466775 /nfs/dbraw/zinc/46/67/75/372466775.db2.gz JOQHVJYHOMFSCJ-LBPRGKRZSA-N -1 1 269.344 3.401 20 0 CGADMM CC[C@H]1CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000293858960 372504054 /nfs/dbraw/zinc/50/40/54/372504054.db2.gz CHVSNIDESPHFOX-LBPRGKRZSA-N -1 1 255.317 3.170 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1CF ZINC000294092352 372578540 /nfs/dbraw/zinc/57/85/40/372578540.db2.gz NWUAWKXMQWVLDT-LBPRGKRZSA-N -1 1 273.307 3.120 20 0 CGADMM CC(C)O[N-]C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000295454205 372787244 /nfs/dbraw/zinc/78/72/44/372787244.db2.gz BJDRTWAWPAZNDP-LBPRGKRZSA-N -1 1 257.333 3.400 20 0 CGADMM COc1cc(C(=O)Nc2csc(C)n2)cc(Cl)c1[O-] ZINC000442796805 373086637 /nfs/dbraw/zinc/08/66/37/373086637.db2.gz GYLNKXXONANLDZ-UHFFFAOYSA-N -1 1 298.751 3.071 20 0 CGADMM Cc1cc(NC(=O)c2cncc([O-])c2)ccc1OC(C)C ZINC000173379722 373133441 /nfs/dbraw/zinc/13/34/41/373133441.db2.gz CGNGHHKMBHVPJP-UHFFFAOYSA-N -1 1 286.331 3.135 20 0 CGADMM Cc1ccc(F)c(-c2cc(=NC(=O)C[C@@H]3C=CCC3)[nH][n-]2)c1 ZINC000444813318 373280182 /nfs/dbraw/zinc/28/01/82/373280182.db2.gz NKDMLMDJOINGFD-GFCCVEGCSA-N -1 1 299.349 3.241 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2c([O-])cccc2F)[C@H](C)C1 ZINC000300241780 373622441 /nfs/dbraw/zinc/62/24/41/373622441.db2.gz QNPWGFWQJNFHFJ-FOGDFJRCSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000176671301 373622978 /nfs/dbraw/zinc/62/29/78/373622978.db2.gz FRNVTJFJRKZNAN-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM O=c1cc(C(F)F)nc(SCCC(F)(F)F)[n-]1 ZINC000289552275 197399700 /nfs/dbraw/zinc/39/97/00/197399700.db2.gz OUSMZNQQUCRIQA-UHFFFAOYSA-N -1 1 274.214 3.164 20 0 CGADMM CCCN(c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)C1CC1 ZINC000302798284 373967522 /nfs/dbraw/zinc/96/75/22/373967522.db2.gz BBCRDYQDYRWIOV-UHFFFAOYSA-N -1 1 298.390 3.240 20 0 CGADMM C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000180330393 373991015 /nfs/dbraw/zinc/99/10/15/373991015.db2.gz MLTKRRNRMBGZGB-VIFPVBQESA-N -1 1 287.281 3.283 20 0 CGADMM O=C(N[C@H](c1ccccc1)C1CC1)c1ccc([O-])cc1F ZINC000181106762 374081106 /nfs/dbraw/zinc/08/11/06/374081106.db2.gz OAAVUQRNLKDUEZ-MRXNPFEDSA-N -1 1 285.318 3.412 20 0 CGADMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)cc1F ZINC000181056457 374074527 /nfs/dbraw/zinc/07/45/27/374074527.db2.gz BAGIIMIAHTVHQR-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@H](c1cccs1)N(C)C(=O)c1ccc([O-])cc1F ZINC000181149509 374087201 /nfs/dbraw/zinc/08/72/01/374087201.db2.gz LQOWVERXGKDXMA-SECBINFHSA-N -1 1 279.336 3.426 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC2(CCC2)CC1 ZINC000308718900 374175373 /nfs/dbraw/zinc/17/53/73/374175373.db2.gz AJYSGANHGNLTBA-UHFFFAOYSA-N -1 1 279.767 3.452 20 0 CGADMM Cc1ccc2c(c1)N(C(=O)c1cc(F)ccc1[O-])CC2 ZINC000080022368 541921993 /nfs/dbraw/zinc/92/19/93/541921993.db2.gz JXFKYEYDUBQJSE-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM C[C@@H]1CC[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000331508731 374538558 /nfs/dbraw/zinc/53/85/58/374538558.db2.gz CLCTXRWEPIUYRD-PSASIEDQSA-N -1 1 262.284 3.485 20 0 CGADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000092939159 541977323 /nfs/dbraw/zinc/97/73/23/541977323.db2.gz UTXYKCUOECUIEN-PSASIEDQSA-N -1 1 288.174 3.288 20 0 CGADMM CCOc1cc(C(=O)NCC(C)(C)C)cc(Cl)c1[O-] ZINC000186688601 374898294 /nfs/dbraw/zinc/89/82/94/374898294.db2.gz ANPKENIUUSFLIQ-UHFFFAOYSA-N -1 1 285.771 3.220 20 0 CGADMM CC1([N-]S(=O)(=O)c2c(F)cccc2Cl)CCCC1 ZINC000463669025 374847083 /nfs/dbraw/zinc/84/70/83/374847083.db2.gz XDXUUMSCEPQPGI-UHFFFAOYSA-N -1 1 291.775 3.090 20 0 CGADMM CCOc1cc(C(=O)NCC2(C)CCC2)cc(Cl)c1[O-] ZINC000186853073 374929105 /nfs/dbraw/zinc/92/91/05/374929105.db2.gz UYRDOULJAJZJPR-UHFFFAOYSA-N -1 1 297.782 3.364 20 0 CGADMM CC[C@](C)(NC(=O)c1c([O-])cccc1F)c1nccs1 ZINC000186916238 374938419 /nfs/dbraw/zinc/93/84/19/374938419.db2.gz NUJFWYUDUOVSDH-AWEZNQCLSA-N -1 1 294.351 3.043 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2cccc(OC)c2)n1 ZINC000188107694 375158988 /nfs/dbraw/zinc/15/89/88/375158988.db2.gz DPEVLJRMLULGOD-JTQLQIEISA-N -1 1 290.388 3.194 20 0 CGADMM CC1(C)CN(C(=O)c2cncc([O-])c2)[C@H]1c1cccs1 ZINC000335796767 375437860 /nfs/dbraw/zinc/43/78/60/375437860.db2.gz KEMYBZLOLYXFCW-ZDUSSCGKSA-N -1 1 288.372 3.072 20 0 CGADMM CCc1ccc(C(=O)N2CCc3cc(OC)ccc32)c([O-])c1 ZINC000190647387 375526895 /nfs/dbraw/zinc/52/68/95/375526895.db2.gz VJWDPSDAKSRJOC-UHFFFAOYSA-N -1 1 297.354 3.166 20 0 CGADMM CCCn1nccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192184380 375707558 /nfs/dbraw/zinc/70/75/58/375707558.db2.gz RMDNCGXOOIOPQD-UHFFFAOYSA-N -1 1 294.742 3.296 20 0 CGADMM C[C@@H]1C[C@H](C)N1C(=O)c1cc2ccccc2cc1[O-] ZINC000336157523 375734316 /nfs/dbraw/zinc/73/43/16/375734316.db2.gz CTJDTUGPICFRGM-PHIMTYICSA-N -1 1 255.317 3.168 20 0 CGADMM COc1cc(C(=O)N2CCC[C@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000336170875 375747263 /nfs/dbraw/zinc/74/72/63/375747263.db2.gz IBBKZKVIFHUAFA-VHSXEESVSA-N -1 1 297.782 3.315 20 0 CGADMM CC(C)(C)OC(=O)CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192438619 375749328 /nfs/dbraw/zinc/74/93/28/375749328.db2.gz SMXTUFFQFNLRFY-UHFFFAOYSA-N -1 1 299.754 3.106 20 0 CGADMM Cc1cc(=O)[n-]c([C@H](C)[N@H+](C)CC2(c3ccccc3)CC2)n1 ZINC000192803323 375790938 /nfs/dbraw/zinc/79/09/38/375790938.db2.gz GGJPRIKRSQSCPM-AWEZNQCLSA-N -1 1 297.402 3.215 20 0 CGADMM CCN(C[C@H]1CCCO1)C(=O)c1ccc2ccccc2c1[O-] ZINC000194305877 375980490 /nfs/dbraw/zinc/98/04/90/375980490.db2.gz NQTRMHIGDQIYJK-CQSZACIVSA-N -1 1 299.370 3.187 20 0 CGADMM CC(C)(NC(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000537398563 376167275 /nfs/dbraw/zinc/16/72/75/376167275.db2.gz MRUKKOZOGUZTPN-UHFFFAOYSA-N -1 1 287.281 3.329 20 0 CGADMM CC(C)N(C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCOC1 ZINC000334298789 206330294 /nfs/dbraw/zinc/33/02/94/206330294.db2.gz OQWWOPDTVRPEJJ-CQSZACIVSA-N -1 1 299.370 3.185 20 0 CGADMM C[C@H]1CC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000235632107 376646728 /nfs/dbraw/zinc/64/67/28/376646728.db2.gz NFNIHAIHQOOZBH-WCBMZHEXSA-N -1 1 298.180 3.073 20 0 CGADMM Cc1ccc(F)c(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000235906366 376653239 /nfs/dbraw/zinc/65/32/39/376653239.db2.gz MCNCIRPUCWSYMX-OAHLLOKOSA-N -1 1 273.307 3.050 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)s1 ZINC000339118557 376692845 /nfs/dbraw/zinc/69/28/45/376692845.db2.gz IXUWRTKSBMDVQQ-UHFFFAOYSA-N -1 1 299.355 3.405 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cccc(C)n2)n1 ZINC000339744545 376832788 /nfs/dbraw/zinc/83/27/88/376832788.db2.gz FZQKVTMYRZIDDW-UHFFFAOYSA-N -1 1 275.377 3.130 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(OC(F)F)c1 ZINC000340328734 377005837 /nfs/dbraw/zinc/00/58/37/377005837.db2.gz QSPGIIJENPIHQZ-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM O=C(NC[C@H]1CCC[C@H]1c1ccccc1)c1cncc([O-])c1 ZINC000562744551 377355354 /nfs/dbraw/zinc/35/53/54/377355354.db2.gz YPYAIBMXGFJOME-PBHICJAKSA-N -1 1 296.370 3.101 20 0 CGADMM O=C(NCc1ccc(C(F)F)cc1)c1ccc([O-])cc1F ZINC000185402443 249056831 /nfs/dbraw/zinc/05/68/31/249056831.db2.gz KWYNGRAATQMZFE-UHFFFAOYSA-N -1 1 295.260 3.399 20 0 CGADMM O=C(NCCOCC1CCC1)c1ccc2ccccc2c1[O-] ZINC000514765712 249188822 /nfs/dbraw/zinc/18/88/22/249188822.db2.gz GUSJUMNHMLGWSF-UHFFFAOYSA-N -1 1 299.370 3.092 20 0 CGADMM COc1ccc(Cl)c(CN2CCC(CC(=O)[O-])CC2)c1 ZINC000517161388 249258748 /nfs/dbraw/zinc/25/87/48/249258748.db2.gz UGOJPXWPQAVZRS-UHFFFAOYSA-N -1 1 297.782 3.035 20 0 CGADMM Cc1cnc(C(=O)N([C@H](C)c2ccccc2)C2CC2)c([O-])c1 ZINC000342692830 377739617 /nfs/dbraw/zinc/73/96/17/377739617.db2.gz RRDJEXDEKSYFMT-CYBMUJFWSA-N -1 1 296.370 3.461 20 0 CGADMM O=C([O-])[C@H]1CCCN(Cc2cscc2C(F)(F)F)C1 ZINC000263431741 377936218 /nfs/dbraw/zinc/93/62/18/377936218.db2.gz SLBPOGAKTBCXHC-QMMMGPOBSA-N -1 1 293.310 3.064 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(C(=O)[O-])cc2)o1 ZINC000263508838 377942887 /nfs/dbraw/zinc/94/28/87/377942887.db2.gz YDJOPMRZJZCTMI-NHYWBVRUSA-N -1 1 285.343 3.391 20 0 CGADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(F)cc1Cl ZINC000263508259 377943301 /nfs/dbraw/zinc/94/33/01/377943301.db2.gz MNWVOAFZVLWHEZ-ONGXEEELSA-N -1 1 285.746 3.164 20 0 CGADMM COc1cc(C(=O)NC[C@@H]2CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000343890747 378126428 /nfs/dbraw/zinc/12/64/28/378126428.db2.gz XVBKYQIDJIDCNG-UWVGGRQHSA-N -1 1 297.782 3.220 20 0 CGADMM CC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCCC1 ZINC000581014221 378275599 /nfs/dbraw/zinc/27/55/99/378275599.db2.gz KPYWEHNIQICGOS-UHFFFAOYSA-N -1 1 285.347 3.301 20 0 CGADMM O=C([O-])c1ccc(CN2CCc3ccsc3C2)s1 ZINC000581016786 378276548 /nfs/dbraw/zinc/27/65/48/378276548.db2.gz FUWANYCWXRPSET-UHFFFAOYSA-N -1 1 279.386 3.066 20 0 CGADMM CC[C@@H](C)c1nc(-c2ccc([O-])c(C(N)=O)c2)cs1 ZINC000345764474 378364088 /nfs/dbraw/zinc/36/40/88/378364088.db2.gz XBKNHERJLZFJFA-MRVPVSSYSA-N -1 1 276.361 3.128 20 0 CGADMM CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H](CC(C)C)C2)n1 ZINC000345857055 378388132 /nfs/dbraw/zinc/38/81/32/378388132.db2.gz AVVBGNBHXXGRJM-ZDUSSCGKSA-N -1 1 277.412 3.003 20 0 CGADMM CC1(C)CC[C@@H](NC(=O)c2cncc([O-])c2)c2ccccc21 ZINC000346604043 378641707 /nfs/dbraw/zinc/64/17/07/378641707.db2.gz OYUCMFUYEYRKLG-MRXNPFEDSA-N -1 1 296.370 3.330 20 0 CGADMM C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])CC1(C)C ZINC000274252138 378797505 /nfs/dbraw/zinc/79/75/05/378797505.db2.gz SYMQKEZTLDIPQK-JTQLQIEISA-N -1 1 265.328 3.040 20 0 CGADMM Cc1ccnc(-c2nc3cccc(C)c3c(=O)[n-]2)c1 ZINC000349277805 379213376 /nfs/dbraw/zinc/21/33/76/379213376.db2.gz AYVKULLZYXAIFO-UHFFFAOYSA-N -1 1 251.289 3.014 20 0 CGADMM CC(C)N(CC1CCC1)C(=O)c1cc(F)ccc1[O-] ZINC000278154784 379304907 /nfs/dbraw/zinc/30/49/07/379304907.db2.gz OPTYUBZTWYQHRK-UHFFFAOYSA-N -1 1 265.328 3.182 20 0 CGADMM COc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccn1 ZINC000352496009 379836396 /nfs/dbraw/zinc/83/63/96/379836396.db2.gz QWLWMCZFOJGMHK-UHFFFAOYSA-N -1 1 293.710 3.093 20 0 CGADMM Cc1ccccc1C1=CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000378612021 379847085 /nfs/dbraw/zinc/84/70/85/379847085.db2.gz QXDOXGHHSJMREP-UHFFFAOYSA-N -1 1 297.329 3.379 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(F)c(Cl)c1)CC2 ZINC000405360130 379984191 /nfs/dbraw/zinc/98/41/91/379984191.db2.gz CEGCIUBBFKSUIR-NSHDSACASA-N -1 1 297.757 3.166 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H]2CCCCCC2=O)n1 ZINC000641888302 380119222 /nfs/dbraw/zinc/11/92/22/380119222.db2.gz MPORUHNPLYEBGX-GFCCVEGCSA-N -1 1 280.393 3.129 20 0 CGADMM CN(C(=O)c1cc(Br)ccc1[O-])C(C)(C)C ZINC000334799440 207098530 /nfs/dbraw/zinc/09/85/30/207098530.db2.gz BTTKNYVQJAAXRH-UHFFFAOYSA-N -1 1 286.169 3.025 20 0 CGADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361386617 381726990 /nfs/dbraw/zinc/72/69/90/381726990.db2.gz MWGBQZIQLQHCJH-SUMWQHHRSA-N -1 1 299.374 3.403 20 0 CGADMM O=S(=O)(Cc1cc2ccccc2o1)c1ccc([O-])cc1 ZINC000362883526 382137620 /nfs/dbraw/zinc/13/76/20/382137620.db2.gz RRMDVEOELTYXJI-UHFFFAOYSA-N -1 1 288.324 3.112 20 0 CGADMM COc1cccc(Cl)c1C[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000228805340 542298933 /nfs/dbraw/zinc/29/89/33/542298933.db2.gz RWYJIAKWKHVLNP-HNNXBMFYSA-N -1 1 297.782 3.035 20 0 CGADMM Cc1ccc([C@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000363746168 382252672 /nfs/dbraw/zinc/25/26/72/382252672.db2.gz KEKMWEWPLWYUFB-AWEZNQCLSA-N -1 1 299.345 3.469 20 0 CGADMM C[C@@H](NC(=O)Nc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000288799075 197168307 /nfs/dbraw/zinc/16/83/07/197168307.db2.gz KSCKRIALVLBNNM-RXMQYKEDSA-N -1 1 282.649 3.118 20 0 CGADMM CSCCCN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000281300917 195187957 /nfs/dbraw/zinc/18/79/57/195187957.db2.gz OQQWKIYLTRQOBX-UHFFFAOYSA-N -1 1 289.400 3.371 20 0 CGADMM CN(C(=O)c1c(F)ccc([O-])c1F)C1CCCCC1 ZINC000281304617 195189938 /nfs/dbraw/zinc/18/99/38/195189938.db2.gz ZABRXWYXZCJTKH-UHFFFAOYSA-N -1 1 269.291 3.075 20 0 CGADMM COCc1nc(=N[C@H](C)CCC2CCCCC2)s[n-]1 ZINC000426885127 533274212 /nfs/dbraw/zinc/27/42/12/533274212.db2.gz YPVWTIPNZQTFOR-LLVKDONJSA-N -1 1 283.441 3.267 20 0 CGADMM COc1cc(C(=O)Nc2ccccc2O)cc(Cl)c1[O-] ZINC000358970768 533559362 /nfs/dbraw/zinc/55/93/62/533559362.db2.gz XYCQZIYDQVFBRS-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM C[C@@H]1CN(Cc2cc(Cl)ccc2F)CC[C@@H]1C(=O)[O-] ZINC000388843679 542605665 /nfs/dbraw/zinc/60/56/65/542605665.db2.gz XSEJYOVSVVIFOZ-SKDRFNHKSA-N -1 1 285.746 3.022 20 0 CGADMM CCOc1cccc(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000048442474 392000147 /nfs/dbraw/zinc/00/01/47/392000147.db2.gz LIHHCSFLLXGKFY-UHFFFAOYSA-N -1 1 287.315 3.052 20 0 CGADMM C[C@@H](c1cccs1)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000049727583 392059022 /nfs/dbraw/zinc/05/90/22/392059022.db2.gz RLIBCKRSCWYGJL-VIFPVBQESA-N -1 1 265.334 3.232 20 0 CGADMM Cc1csc([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000070939462 392186225 /nfs/dbraw/zinc/18/62/25/392186225.db2.gz UBUWWYUSDSQWGC-QMMMGPOBSA-N -1 1 296.779 3.302 20 0 CGADMM C[C@@H](CC(F)(F)F)C(=O)Nc1ccc(F)cc1[O-] ZINC000457683561 392731471 /nfs/dbraw/zinc/73/14/71/392731471.db2.gz YGVXZNYAYGYPHS-LURJTMIESA-N -1 1 265.206 3.058 20 0 CGADMM CO[C@H](C)c1nc(=NCCCCC2CCCC2)s[n-]1 ZINC000509557113 392759219 /nfs/dbraw/zinc/75/92/19/392759219.db2.gz ZDTROHVHFPWWSM-LLVKDONJSA-N -1 1 283.441 3.440 20 0 CGADMM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC(C)(C(=O)[O-])CC1 ZINC000647375929 392712372 /nfs/dbraw/zinc/71/23/72/392712372.db2.gz JIMWUGSTTGDTGQ-LLVKDONJSA-N -1 1 294.395 3.220 20 0 CGADMM CCN(Cc1cccc(C(=O)[O-])c1Cl)C[C@@H]1CCCO1 ZINC000381555056 392908714 /nfs/dbraw/zinc/90/87/14/392908714.db2.gz GTARFTDQSZYUDG-LBPRGKRZSA-N -1 1 297.782 3.039 20 0 CGADMM CCOC1CCN(Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000381628431 392911440 /nfs/dbraw/zinc/91/14/40/392911440.db2.gz UUTADDSZBCDWGA-UHFFFAOYSA-N -1 1 297.782 3.039 20 0 CGADMM CCOc1cc(C(=O)NC(CC)CC)cc(Cl)c1[O-] ZINC000192602555 392855760 /nfs/dbraw/zinc/85/57/60/392855760.db2.gz POXANWNPHRBICL-UHFFFAOYSA-N -1 1 285.771 3.363 20 0 CGADMM Cc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])o2)o1 ZINC000521257724 542739173 /nfs/dbraw/zinc/73/91/73/542739173.db2.gz OXPXDBWYCSWGEQ-LBPRGKRZSA-N -1 1 275.304 3.216 20 0 CGADMM C[C@H](CNC(=O)c1cc(Cl)ccc1[O-])CC(F)F ZINC000648470382 393041998 /nfs/dbraw/zinc/04/19/98/393041998.db2.gz OTZIQZRITPXMCU-ZETCQYMHSA-N -1 1 277.698 3.067 20 0 CGADMM CCCc1cc(=O)[n-]c(SCC(=O)CCC(C)C)n1 ZINC000466741800 393054587 /nfs/dbraw/zinc/05/45/87/393054587.db2.gz BSGHKKHYSQVMDU-UHFFFAOYSA-N -1 1 282.409 3.232 20 0 CGADMM CCCS(=O)(=O)[N-]c1ccc2cccc(Cl)c2n1 ZINC000355272682 393284982 /nfs/dbraw/zinc/28/49/82/393284982.db2.gz WWQKVIFZMLFBNZ-UHFFFAOYSA-N -1 1 284.768 3.040 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)[C@H]1CC1(C)C ZINC000416276234 393289041 /nfs/dbraw/zinc/28/90/41/393289041.db2.gz MFQHRYYBNSVDJZ-DGCLKSJQSA-N -1 1 265.328 3.086 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2cc(F)ccc2[O-])CC12CC=CC2 ZINC000649139630 393355036 /nfs/dbraw/zinc/35/50/36/393355036.db2.gz FJWDQZOUOIRKGS-OAHLLOKOSA-N -1 1 289.350 3.348 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@H]1C1CCC1 ZINC000649197705 393371304 /nfs/dbraw/zinc/37/13/04/393371304.db2.gz SLVPDFMHLQKCHE-AWEZNQCLSA-N -1 1 277.339 3.326 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccc(C)cc2Cl)n1 ZINC000432673623 393626969 /nfs/dbraw/zinc/62/69/69/393626969.db2.gz XMKDFRAWTQJQPB-UHFFFAOYSA-N -1 1 296.779 3.450 20 0 CGADMM COc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445452608 393794976 /nfs/dbraw/zinc/79/49/76/393794976.db2.gz DWKXOWSASVXWTI-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM COc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445488500 393799939 /nfs/dbraw/zinc/79/99/39/393799939.db2.gz WKYJNTBSSQWKPX-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM [O-]c1ccc(-c2noc(COc3ccccc3)n2)cc1F ZINC000445486853 393800131 /nfs/dbraw/zinc/80/01/31/393800131.db2.gz PSARKVOADUKOJU-UHFFFAOYSA-N -1 1 286.262 3.160 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCCCC1(F)F ZINC000450141080 393984799 /nfs/dbraw/zinc/98/47/99/393984799.db2.gz HVBHSUMZTIOUIU-SECBINFHSA-N -1 1 273.254 3.295 20 0 CGADMM CC[C@@H]1CCC[C@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000452526492 394079015 /nfs/dbraw/zinc/07/90/15/394079015.db2.gz KAHVTUCOHWQHJU-ZJUUUORDSA-N -1 1 283.318 3.227 20 0 CGADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(C(C)(C)C)[nH]n1 ZINC000650185625 397799328 /nfs/dbraw/zinc/79/93/28/397799328.db2.gz NUPKCJLWZDYJNS-JTQLQIEISA-N -1 1 287.429 3.028 20 0 CGADMM CC[C@H](C(=O)[O-])N(C)Cc1csc(Cl)c1Cl ZINC000650806327 397927326 /nfs/dbraw/zinc/92/73/26/397927326.db2.gz WXNHHDYRXVRRBI-SSDOTTSWSA-N -1 1 282.192 3.350 20 0 CGADMM Cc1nc(-c2ccc(N3C[C@H](C)C[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000674933089 543308240 /nfs/dbraw/zinc/30/82/40/543308240.db2.gz UOWDTSPXTIGVHN-MNOVXSKESA-N -1 1 298.390 3.096 20 0 CGADMM C[C@@H](Sc1ccccn1)C(=O)Nc1c([O-])cccc1F ZINC000675600944 543348131 /nfs/dbraw/zinc/34/81/31/543348131.db2.gz OLFLTRJITIZGQV-SECBINFHSA-N -1 1 292.335 3.046 20 0 CGADMM COc1cccnc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000678306778 543513727 /nfs/dbraw/zinc/51/37/27/543513727.db2.gz LUMJKLTZQJPKEP-UHFFFAOYSA-N -1 1 286.331 3.172 20 0 CGADMM Cc1ccccc1NCCC(=O)Nc1c([O-])cccc1F ZINC000678374719 543519127 /nfs/dbraw/zinc/51/91/27/543519127.db2.gz XFTFAKHCVMCSTA-UHFFFAOYSA-N -1 1 288.322 3.280 20 0 CGADMM CC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1nccs1 ZINC000080305652 287064543 /nfs/dbraw/zinc/06/45/43/287064543.db2.gz TZWZIEOOZSOQQE-SNVBAGLBSA-N -1 1 296.779 3.383 20 0 CGADMM C[C@@H]1CC(C(=O)Nc2ccc([O-])c(Cl)c2)C[C@@H](C)O1 ZINC000094069372 287121385 /nfs/dbraw/zinc/12/13/85/287121385.db2.gz RTGJLXJFWPYOMT-RKDXNWHRSA-N -1 1 283.755 3.188 20 0 CGADMM O=C(Nc1ccc(F)cn1)c1cc2ccccc2cc1[O-] ZINC000112667940 287143272 /nfs/dbraw/zinc/14/32/72/287143272.db2.gz OUDCJECGNXNRBG-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(NCCc1ccc(Cl)s1)c1c([O-])cccc1F ZINC000119948091 287175518 /nfs/dbraw/zinc/17/55/18/287175518.db2.gz FVOAWMIWBXMDQB-UHFFFAOYSA-N -1 1 299.754 3.219 20 0 CGADMM C[C@H]1CC(NC(=O)c2cc3ccccc3cc2[O-])C[C@H](C)O1 ZINC000120442929 287182196 /nfs/dbraw/zinc/18/21/96/287182196.db2.gz MEJIPARZVDAQML-RYUDHWBXSA-N -1 1 299.370 3.231 20 0 CGADMM CC(C)(CNC(=O)c1cc(F)ccc1[O-])c1cccs1 ZINC000124059859 287229011 /nfs/dbraw/zinc/22/90/11/287229011.db2.gz HANNEMMYELMLTJ-UHFFFAOYSA-N -1 1 293.363 3.300 20 0 CGADMM O=C(NCCc1ccc(F)cc1)c1ccc(Cl)cc1[O-] ZINC000021518115 171314009 /nfs/dbraw/zinc/31/40/09/171314009.db2.gz ZJXXHOHRPKNSRK-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM CN(Cc1ccsc1)Cc1ccc(C(=O)[O-])cc1 ZINC000035719453 172373964 /nfs/dbraw/zinc/37/39/64/172373964.db2.gz GYEAEGYOLSQNJU-UHFFFAOYSA-N -1 1 261.346 3.078 20 0 CGADMM O=C([O-])CC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000043585848 175071629 /nfs/dbraw/zinc/07/16/29/175071629.db2.gz WBBKBIZRMGJCIS-NSHDSACASA-N -1 1 283.318 3.042 20 0 CGADMM CN(C(=O)c1ccc(Br)cc1[O-])C1CCCC1 ZINC000044490599 175180451 /nfs/dbraw/zinc/18/04/51/175180451.db2.gz BTDRCXBHMYXMCN-UHFFFAOYSA-N -1 1 298.180 3.169 20 0 CGADMM CN(C(=O)c1cn[nH]c1-c1ccc(F)cc1)c1ccccc1 ZINC000073562792 416494463 /nfs/dbraw/zinc/49/44/63/416494463.db2.gz ASNOSRFGECAUGE-UHFFFAOYSA-N -1 1 295.317 3.492 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccccc2[O-])c2ccccc21 ZINC000130015207 287343367 /nfs/dbraw/zinc/34/33/67/287343367.db2.gz AKIKKRQNTXKQRB-LLVKDONJSA-N -1 1 253.301 3.156 20 0 CGADMM O=C(Nc1cccc(OC(F)F)c1)c1ccc([O-])c(F)c1 ZINC000681018946 543757437 /nfs/dbraw/zinc/75/74/37/543757437.db2.gz ALNCPBFFKPANDX-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM Cc1ccc(CNC(=O)c2ccc([O-])c(F)c2)c(C)c1 ZINC000681017209 543757877 /nfs/dbraw/zinc/75/78/77/543757877.db2.gz IXKMEABCXSKONA-UHFFFAOYSA-N -1 1 273.307 3.078 20 0 CGADMM O=C(NCCc1cc2ccccc2o1)c1ccc([O-])c(F)c1 ZINC000681048927 543760718 /nfs/dbraw/zinc/76/07/18/543760718.db2.gz SKWDZZLYUFXOPX-UHFFFAOYSA-N -1 1 299.301 3.250 20 0 CGADMM COc1cc(F)c(NC(=O)c2ccc([O-])c(F)c2)cc1F ZINC000681055626 543762357 /nfs/dbraw/zinc/76/23/57/543762357.db2.gz NFFXDXSFCDKMSG-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1c([O-])cccc1F ZINC000681059125 543762494 /nfs/dbraw/zinc/76/24/94/543762494.db2.gz JTYFWMGJQKPLOA-BXUZGUMPSA-N -1 1 295.354 3.455 20 0 CGADMM Cc1cc(Cl)cc(NC(=O)c2ccc([O-])c(F)c2)c1O ZINC000681059550 543762512 /nfs/dbraw/zinc/76/25/12/543762512.db2.gz XFNHZTTYQAERLJ-UHFFFAOYSA-N -1 1 295.697 3.451 20 0 CGADMM C[C@@]1(CNC(=O)c2cc(Cl)ccc2[O-])CCCS1 ZINC000130668216 287360796 /nfs/dbraw/zinc/36/07/96/287360796.db2.gz SNZNACQCDRIHAE-ZDUSSCGKSA-N -1 1 285.796 3.061 20 0 CGADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000682813124 543870465 /nfs/dbraw/zinc/87/04/65/543870465.db2.gz DNNYJGQOZYRHRB-OUAUKWLOSA-N -1 1 265.328 3.038 20 0 CGADMM CC(=O)C(C)(C)CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000683593200 543927638 /nfs/dbraw/zinc/92/76/38/543927638.db2.gz IEAWMSZIQWTQET-UHFFFAOYSA-N -1 1 292.310 3.129 20 0 CGADMM O=C([N-]c1c(F)cc(Cl)cc1F)c1nccs1 ZINC000683755121 543938400 /nfs/dbraw/zinc/93/84/00/543938400.db2.gz LVACNFQMNSINMB-UHFFFAOYSA-N -1 1 274.679 3.327 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1cc(F)c(F)cc1F ZINC000133121581 287417348 /nfs/dbraw/zinc/41/73/48/287417348.db2.gz ZKSNIEHSTVAMQU-UHFFFAOYSA-N -1 1 284.237 3.215 20 0 CGADMM COc1cc(CN2CCC(CC(=O)[O-])CC2)ccc1Cl ZINC000652465707 418971726 /nfs/dbraw/zinc/97/17/26/418971726.db2.gz MUKXKFDGIDBZJS-UHFFFAOYSA-N -1 1 297.782 3.035 20 0 CGADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000652496793 418976042 /nfs/dbraw/zinc/97/60/42/418976042.db2.gz DSOGEOCEPPPVOQ-GRYCIOLGSA-N -1 1 294.395 3.076 20 0 CGADMM Cc1cc([C@H]2CCCN2Cc2ccc(C(=O)[O-])s2)on1 ZINC000652396991 418961052 /nfs/dbraw/zinc/96/10/52/418961052.db2.gz JQJKAQUVMCHVEV-LLVKDONJSA-N -1 1 292.360 3.080 20 0 CGADMM [O-]c1ccc(-c2noc(C3CC4(CC4)C3)n2)c(F)c1 ZINC000664850598 419014188 /nfs/dbraw/zinc/01/41/88/419014188.db2.gz VSYYPUVTBPFFOM-UHFFFAOYSA-N -1 1 260.268 3.239 20 0 CGADMM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000652758544 418989861 /nfs/dbraw/zinc/98/98/61/418989861.db2.gz ZTMWGRBTSWMMFY-CMPLNLGQSA-N -1 1 265.328 3.086 20 0 CGADMM CC(C)(C)n1ccc(C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000654966305 419011829 /nfs/dbraw/zinc/01/18/29/419011829.db2.gz SCTBXSUJINYMKA-UHFFFAOYSA-N -1 1 293.754 3.249 20 0 CGADMM CCN(CC(C)C)C(=O)c1ncc2ccccc2c1[O-] ZINC000666182861 419195709 /nfs/dbraw/zinc/19/57/09/419195709.db2.gz AIGSFEJMQXBPSA-UHFFFAOYSA-N -1 1 272.348 3.059 20 0 CGADMM [O-]c1cccc(CN2CC(CC(F)(F)F)C2)c1Cl ZINC000656688400 419202126 /nfs/dbraw/zinc/20/21/26/419202126.db2.gz NLHDEGSRJVTKHY-UHFFFAOYSA-N -1 1 279.689 3.430 20 0 CGADMM O=C([O-])C12CC(C1)CN2Cc1c(Cl)cccc1Cl ZINC000656760721 419210897 /nfs/dbraw/zinc/21/08/97/419210897.db2.gz YIKJPURHTOMDQO-UHFFFAOYSA-N -1 1 286.158 3.042 20 0 CGADMM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000656766565 419212618 /nfs/dbraw/zinc/21/26/18/419212618.db2.gz YUSMYFAMLITRLU-MNOVXSKESA-N -1 1 297.782 3.038 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2cc(C3CC3)no2)[n-]1 ZINC000657258927 419238762 /nfs/dbraw/zinc/23/87/62/419238762.db2.gz YJZKCAQYMGVTGO-UHFFFAOYSA-N -1 1 289.360 3.217 20 0 CGADMM CC(C)c1cccc(CNCc2cc(C(=O)[O-])co2)c1 ZINC000663259361 419536057 /nfs/dbraw/zinc/53/60/57/419536057.db2.gz ZSFFPLARIXPWJF-UHFFFAOYSA-N -1 1 273.332 3.391 20 0 CGADMM CSc1ccc([O-])c(-c2nc([C@H]3C[C@H]3C)no2)c1 ZINC000663307946 419546984 /nfs/dbraw/zinc/54/69/84/419546984.db2.gz ITBZGEGIRHNVDE-APPZFPTMSA-N -1 1 262.334 3.288 20 0 CGADMM O=C(NC1CCC(F)(F)CC1)c1ccc(Cl)cc1[O-] ZINC000390525164 262205961 /nfs/dbraw/zinc/20/59/61/262205961.db2.gz VLKBFSQEULHCRY-UHFFFAOYSA-N -1 1 289.709 3.353 20 0 CGADMM CCc1cc(=O)[n-]c(SCCCc2ccccc2)n1 ZINC000041626189 270031340 /nfs/dbraw/zinc/03/13/40/270031340.db2.gz MTSYNMJCQQGPRK-UHFFFAOYSA-N -1 1 274.389 3.057 20 0 CGADMM Cc1cccnc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000103713073 270046219 /nfs/dbraw/zinc/04/62/19/270046219.db2.gz RKCXWTJSFQBYEH-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM CCc1ccccc1CNC(=O)c1c([O-])cccc1F ZINC000228854093 270088220 /nfs/dbraw/zinc/08/82/20/270088220.db2.gz ABTFURVBQJNJBG-UHFFFAOYSA-N -1 1 273.307 3.024 20 0 CGADMM CCc1cccnc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000230229147 270088920 /nfs/dbraw/zinc/08/89/20/270088920.db2.gz QSUKNTZBVDAKRM-UHFFFAOYSA-N -1 1 285.278 3.206 20 0 CGADMM CCC[C@H](OCC)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000528166841 270156385 /nfs/dbraw/zinc/15/63/85/270156385.db2.gz BKTFAFPHXUIDNS-LBPRGKRZSA-N -1 1 280.299 3.459 20 0 CGADMM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(F)cc1[O-] ZINC000532267126 270214699 /nfs/dbraw/zinc/21/46/99/270214699.db2.gz IIALVZFRABQEST-JTQLQIEISA-N -1 1 291.297 3.488 20 0 CGADMM CC(C)CC[C@@H]1CCCCN1C(=O)c1cncc([O-])c1 ZINC000339907326 277361238 /nfs/dbraw/zinc/36/12/38/277361238.db2.gz AWUNMASMVYCUFR-AWEZNQCLSA-N -1 1 276.380 3.218 20 0 CGADMM COc1ccc(C(=O)N2CCCc3cc(C)ccc32)c([O-])c1 ZINC000020260253 277400908 /nfs/dbraw/zinc/40/09/08/277400908.db2.gz GBJDPPRFJQKPNT-UHFFFAOYSA-N -1 1 297.354 3.302 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@@H](C)[C@H](C)O1 ZINC000438420040 288023793 /nfs/dbraw/zinc/02/37/93/288023793.db2.gz VQKBDVGXRVKLJI-AGIUHOORSA-N -1 1 299.370 3.183 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1C ZINC000091439005 288041880 /nfs/dbraw/zinc/04/18/80/288041880.db2.gz MFJSGDMXSKCIMA-VXGBXAGGSA-N -1 1 269.344 3.273 20 0 CGADMM O=C(NC[C@H]1CC2CCC1CC2)c1ccc([O-])cc1F ZINC000400033137 288054840 /nfs/dbraw/zinc/05/48/40/288054840.db2.gz GZFHHHLQQKMXSR-HTAVTVPLSA-N -1 1 277.339 3.087 20 0 CGADMM COc1cc(-c2nc(C(C)C)no2)cc(Cl)c1[O-] ZINC000526949402 288152789 /nfs/dbraw/zinc/15/27/89/288152789.db2.gz IDRPLGDIQANANP-UHFFFAOYSA-N -1 1 268.700 3.228 20 0 CGADMM CCC[C@@H]1C[C@H](C(=O)Nc2cccc(F)c2[O-])CCO1 ZINC000530006853 288282058 /nfs/dbraw/zinc/28/20/58/288282058.db2.gz WBWIGQVJKJJVMC-GHMZBOCLSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1cccc(F)c1[O-] ZINC000530006497 288282151 /nfs/dbraw/zinc/28/21/51/288282151.db2.gz SRELPIZGSLLZNT-VHSXEESVSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@@H]1Cc2ccccc2CN1C(=O)c1cc(F)ccc1[O-] ZINC000179614123 288810190 /nfs/dbraw/zinc/81/01/90/288810190.db2.gz KNUFIQALVNTWBM-LLVKDONJSA-N -1 1 285.318 3.118 20 0 CGADMM CC[C@@H](N=c1nc(C(F)(F)F)[n-]s1)C(C)(C)C ZINC000553044140 289206603 /nfs/dbraw/zinc/20/66/03/289206603.db2.gz XOMYOMUYZWLWJR-ZCFIWIBFSA-N -1 1 267.320 3.215 20 0 CGADMM C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([O-])cc1 ZINC000154263323 321738752 /nfs/dbraw/zinc/73/87/52/321738752.db2.gz XCNNATKJKGDRDF-SECBINFHSA-N -1 1 298.310 3.205 20 0 CGADMM CCSc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000172200578 321938659 /nfs/dbraw/zinc/93/86/59/321938659.db2.gz RJSBLGAXOSIODB-UHFFFAOYSA-N -1 1 274.345 3.152 20 0 CGADMM O=C(Nc1c(O)cccc1Cl)c1ccc([O-])cc1F ZINC000569466895 322247974 /nfs/dbraw/zinc/24/79/74/322247974.db2.gz NHCQBCMIVJRLMT-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM CCc1nc(S[C@@H]2CCOC(C)(C)C2)[n-]c(=O)c1C ZINC000584422161 329466500 /nfs/dbraw/zinc/46/65/00/329466500.db2.gz OOACCAQEKNRTDA-SNVBAGLBSA-N -1 1 282.409 3.103 20 0 CGADMM CCc1coc(NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000576414996 335201394 /nfs/dbraw/zinc/20/13/94/335201394.db2.gz XLVGWBVQOVVWIW-UHFFFAOYSA-N -1 1 282.299 3.348 20 0 CGADMM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000581761053 336143104 /nfs/dbraw/zinc/14/31/04/336143104.db2.gz WJDKMRYDCKULCW-NEPJUHHUSA-N -1 1 293.388 3.147 20 0 CGADMM COc1ccc(-c2nc(Cc3ccc(C)cc3)no2)c([O-])c1 ZINC000387158893 336186600 /nfs/dbraw/zinc/18/66/00/336186600.db2.gz UJSLGNUTVWCQDL-UHFFFAOYSA-N -1 1 296.326 3.350 20 0 CGADMM C[C@@H]1CCC[C@H](C(=O)N=c2cc(-c3cccs3)[n-][nH]2)C1 ZINC000439115834 533817738 /nfs/dbraw/zinc/81/77/38/533817738.db2.gz GAYGIKPMVRUROD-MNOVXSKESA-N -1 1 289.404 3.325 20 0 CGADMM CSc1ccc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])s1 ZINC000424420808 534206474 /nfs/dbraw/zinc/20/64/74/534206474.db2.gz QYKGTUBABNULRA-JOYOIKCWSA-N -1 1 285.434 3.155 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@H](C)C(C)(C)C)c1 ZINC000436504128 534230925 /nfs/dbraw/zinc/23/09/25/534230925.db2.gz IVVDWRQWEIGKJE-JTQLQIEISA-N -1 1 293.363 3.190 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)c2cc(C)cc(C)c2)c1 ZINC000436513353 534231753 /nfs/dbraw/zinc/23/17/53/534231753.db2.gz MVMKBVURSVUIDS-UHFFFAOYSA-N -1 1 299.326 3.048 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccc4cc[nH]c4n3)n2)cc1F ZINC000436879435 534449240 /nfs/dbraw/zinc/44/92/40/534449240.db2.gz NOEKYWPFGWYYSP-UHFFFAOYSA-N -1 1 296.261 3.125 20 0 CGADMM [O-]c1ccc(-c2noc(C3Cc4ccccc4C3)n2)c(F)c1 ZINC000436871815 534451738 /nfs/dbraw/zinc/45/17/38/534451738.db2.gz IPJTYHOVSQGRFI-UHFFFAOYSA-N -1 1 296.301 3.464 20 0 CGADMM Cc1cncc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445455908 534677133 /nfs/dbraw/zinc/67/71/33/534677133.db2.gz GSMYMAYMZGGLBI-GORDUTHDSA-N -1 1 297.289 3.455 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1ccc(Cl)o1 ZINC000089397319 523059897 /nfs/dbraw/zinc/05/98/97/523059897.db2.gz YVJVRWVLZLEUOT-UHFFFAOYSA-N -1 1 254.673 3.044 20 0 CGADMM O=C(c1ccccc1[O-])N1CCc2c1cccc2Cl ZINC000155658197 534750026 /nfs/dbraw/zinc/75/00/26/534750026.db2.gz YRKIQFOTTIKKJG-UHFFFAOYSA-N -1 1 273.719 3.249 20 0 CGADMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438806425 534825712 /nfs/dbraw/zinc/82/57/12/534825712.db2.gz DNJOHPHMRCSBHP-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM O=C(Nc1ccc(Cl)cc1F)c1ccc(O)cc1[O-] ZINC000192659827 534829453 /nfs/dbraw/zinc/82/94/53/534829453.db2.gz KLRKCWRDYSATHE-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM O=C(Nc1ccc(OCC2CC2)cc1)c1ccccc1[O-] ZINC000436546257 534837331 /nfs/dbraw/zinc/83/73/31/534837331.db2.gz JMTQOKXGGIYYRN-UHFFFAOYSA-N -1 1 283.327 3.433 20 0 CGADMM CC(=O)c1cc(NC(=O)c2cc(F)ccc2[O-])ccc1F ZINC000436856757 527215979 /nfs/dbraw/zinc/21/59/79/527215979.db2.gz NOLOUGKJFVAEII-UHFFFAOYSA-N -1 1 291.253 3.125 20 0 CGADMM CCO[C@@H](CCNC(=O)c1cc(Cl)ccc1[O-])C(C)C ZINC000436588971 527727934 /nfs/dbraw/zinc/72/79/34/527727934.db2.gz NXLMHDZVAWTSSY-AWEZNQCLSA-N -1 1 299.798 3.227 20 0 CGADMM CC(C)CCOCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436251881 527759807 /nfs/dbraw/zinc/75/98/07/527759807.db2.gz JYIDYTAUXWDGOJ-UHFFFAOYSA-N -1 1 282.409 3.214 20 0 CGADMM CCOc1cc(C(=O)N(C)[C@@H]2CC2(C)C)cc(Cl)c1[O-] ZINC000428194240 528209071 /nfs/dbraw/zinc/20/90/71/528209071.db2.gz FDMMHMGBTZCRCS-GFCCVEGCSA-N -1 1 297.782 3.315 20 0 CGADMM CCC[C@@H](C)C[C@H](NCc1ccc(CC)o1)C(=O)[O-] ZINC000426815863 528882301 /nfs/dbraw/zinc/88/23/01/528882301.db2.gz MOTAXFSCTCHJGS-RISCZKNCSA-N -1 1 267.369 3.211 20 0 CGADMM CCC1(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)CCC1 ZINC000434238991 528990300 /nfs/dbraw/zinc/99/03/00/528990300.db2.gz YUBOCFKZRFAEHF-UHFFFAOYSA-N -1 1 275.377 3.079 20 0 CGADMM CC1(C)CC[C@@H](C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000359359546 529018678 /nfs/dbraw/zinc/01/86/78/529018678.db2.gz JHQFETIIPDJBNY-SECBINFHSA-N -1 1 251.301 3.296 20 0 CGADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000436865507 529226498 /nfs/dbraw/zinc/22/64/98/529226498.db2.gz SAPZSUAXOQRBPY-AAEUAGOBSA-N -1 1 297.395 3.325 20 0 CGADMM O=C(Nc1cccc(-n2cccc2)c1)c1ccccc1[O-] ZINC000731459477 572413459 /nfs/dbraw/zinc/41/34/59/572413459.db2.gz OAXGKLGDXOIBRH-UHFFFAOYSA-N -1 1 278.311 3.435 20 0 CGADMM C[C@H](NC(=O)c1cncc([O-])c1)c1csc2ccccc21 ZINC000732289796 572459235 /nfs/dbraw/zinc/45/92/35/572459235.db2.gz WYQICYFOPOMBPP-JTQLQIEISA-N -1 1 298.367 3.493 20 0 CGADMM CC(C)(C)c1cccc(OCC[N-]C(=O)C(F)(F)F)c1 ZINC000733782224 572604935 /nfs/dbraw/zinc/60/49/35/572604935.db2.gz SGDNNPLTFBHMLL-UHFFFAOYSA-N -1 1 289.297 3.041 20 0 CGADMM Cc1ccc(N(C)C(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1 ZINC000747216082 572919145 /nfs/dbraw/zinc/91/91/45/572919145.db2.gz GNPQYZFNUJCIIC-UHFFFAOYSA-N -1 1 299.374 3.199 20 0 CGADMM CCCCOc1ccc(CC[N-]C(=O)C(F)(F)F)cc1 ZINC000750670777 573160608 /nfs/dbraw/zinc/16/06/08/573160608.db2.gz WPUCTWCIEJBCPQ-UHFFFAOYSA-N -1 1 289.297 3.087 20 0 CGADMM CC(C)(C)c1n[nH]c(SCc2ccc(C(=O)[O-])cc2)n1 ZINC000713477835 597297049 /nfs/dbraw/zinc/29/70/49/597297049.db2.gz UBNUWINNHYRNBI-UHFFFAOYSA-N -1 1 291.376 3.093 20 0 CGADMM CC(C)(C)c1nc(SCc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000713477835 597297054 /nfs/dbraw/zinc/29/70/54/597297054.db2.gz UBNUWINNHYRNBI-UHFFFAOYSA-N -1 1 291.376 3.093 20 0 CGADMM CCc1noc(C)c1[C@@H](C)NCc1cccc(C(=O)[O-])c1 ZINC000820503778 598192712 /nfs/dbraw/zinc/19/27/12/598192712.db2.gz AMGIGAZLFROIEC-SNVBAGLBSA-N -1 1 288.347 3.094 20 0 CGADMM O=C([O-])c1cccc(CNCc2cscc2Cl)c1 ZINC000821552324 598194167 /nfs/dbraw/zinc/19/41/67/598194167.db2.gz ILSFBUFGSVWONH-UHFFFAOYSA-N -1 1 281.764 3.390 20 0 CGADMM CC[C@H](NCc1cccc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000263446350 598203451 /nfs/dbraw/zinc/20/34/51/598203451.db2.gz YAEAUXAUKADSID-ZDUSSCGKSA-N -1 1 290.388 3.391 20 0 CGADMM CCCc1c(C)[n-]n(C2CCC(F)(F)CC2)c1=O ZINC000899367298 620676039 /nfs/dbraw/zinc/67/60/39/620676039.db2.gz ZGGOXHMHACDVHF-NSHDSACASA-N -1 1 258.312 3.199 20 0 CGADMM C[C@@H](c1ccncc1)N(C)Cc1ccsc1C(=O)[O-] ZINC000384016355 604718834 /nfs/dbraw/zinc/71/88/34/604718834.db2.gz YUHYLIGMPPRMJU-JTQLQIEISA-N -1 1 276.361 3.034 20 0 CGADMM C[C@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccco1 ZINC000825397379 605117803 /nfs/dbraw/zinc/11/78/03/605117803.db2.gz KYGFRSJWQWDYPI-RYUDHWBXSA-N -1 1 288.347 3.459 20 0 CGADMM Cc1ccccc1[C@H](C)Nc1nc(-c2nn[n-]n2)ccc1C ZINC000826306254 608543872 /nfs/dbraw/zinc/54/38/72/608543872.db2.gz UNUSJHZIZLBMNC-LBPRGKRZSA-N -1 1 294.362 3.052 20 0 CGADMM C[C@@H]1CC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C[C@H]1C ZINC000858482474 617623617 /nfs/dbraw/zinc/62/36/17/617623617.db2.gz ZBJCJBSQCZWKIU-IWSPIJDZSA-N -1 1 255.749 3.072 20 0 CGADMM C[C@@H]1CC=CC[C@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000890764984 617821500 /nfs/dbraw/zinc/82/15/00/617821500.db2.gz KBYTWQHDAZHZMX-ZWNOBZJWSA-N -1 1 279.767 3.059 20 0 CGADMM CCc1ccccc1CNCc1cc(C(=O)[O-])c(C)o1 ZINC000234121552 617988018 /nfs/dbraw/zinc/98/80/18/617988018.db2.gz HSAUHYKYXLUNMF-UHFFFAOYSA-N -1 1 273.332 3.138 20 0 CGADMM COCc1nc(N[C@H](C)c2cc(C)sc2C)cc(=O)[n-]1 ZINC000891747386 618274375 /nfs/dbraw/zinc/27/43/75/618274375.db2.gz IECDGWOFAQGEIN-SECBINFHSA-N -1 1 293.392 3.180 20 0 CGADMM CC[C@@H](NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000228170842 619281989 /nfs/dbraw/zinc/28/19/89/619281989.db2.gz JZQUWUARASAYOP-CQSZACIVSA-N -1 1 259.305 3.219 20 0 CGADMM CN(Cc1ccc(F)cc1)C(=O)c1c([O-])cccc1Cl ZINC000049082735 619681389 /nfs/dbraw/zinc/68/13/89/619681389.db2.gz YLGDJARCWDMJGB-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM CCCCN(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895524540 619843921 /nfs/dbraw/zinc/84/39/21/619843921.db2.gz NMLRNIRXAAGITN-UHFFFAOYSA-N -1 1 273.332 3.123 20 0 CGADMM c1nn(C2CCCC2)cc1[N-]c1nc(C2CC2)ns1 ZINC000895885933 619901163 /nfs/dbraw/zinc/90/11/63/619901163.db2.gz HMMRXNIJKYEOEF-UHFFFAOYSA-N -1 1 275.381 3.471 20 0 CGADMM Cc1noc(C(C)C)c1[N-]C(=O)c1ncoc1C1CC1 ZINC000928785280 620219240 /nfs/dbraw/zinc/21/92/40/620219240.db2.gz VTUIMBLYQMSBBO-UHFFFAOYSA-N -1 1 275.308 3.224 20 0 CGADMM CC(=O)c1ccc(C(=O)[N-]c2c(C)noc2C(C)C)o1 ZINC000928786324 620219302 /nfs/dbraw/zinc/21/93/02/620219302.db2.gz BJOUVQIXJXOHAK-UHFFFAOYSA-N -1 1 276.292 3.154 20 0 CGADMM CCc1c(C)[n-]n(-c2cccc(F)c2Br)c1=O ZINC000871964764 620272462 /nfs/dbraw/zinc/27/24/62/620272462.db2.gz ZJOUBEOEUZRRFL-MRVPVSSYSA-N -1 1 299.143 3.337 20 0 CGADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(F)cc1Cl ZINC000235360617 620302390 /nfs/dbraw/zinc/30/23/90/620302390.db2.gz MNXJCGAPDCRFBA-NXEZZACHSA-N -1 1 285.746 3.164 20 0 CGADMM O=C([O-])[C@@H]1CCCCN1Cc1cscc1C(F)(F)F ZINC000263380831 620315169 /nfs/dbraw/zinc/31/51/69/620315169.db2.gz BOSDRSKKYHIPGJ-JTQLQIEISA-N -1 1 293.310 3.206 20 0 CGADMM COCc1c(C)cc(C)c(C=C2SC(=O)[N-]C2=O)c1C ZINC000901555721 620926610 /nfs/dbraw/zinc/92/66/10/620926610.db2.gz ZDXNKVIMYHUNNI-MLPAPPSSSA-N -1 1 291.372 3.082 20 0 CGADMM O=c1cc(-c2ccccc2)nc(SC[C@H]2CCCO2)[n-]1 ZINC000901616561 620954712 /nfs/dbraw/zinc/95/47/12/620954712.db2.gz OVOIDUWMEHXRNS-GFCCVEGCSA-N -1 1 288.372 3.120 20 0 CGADMM O=c1cc(-c2ccccc2)nc(S[C@H]2CCSC2)[n-]1 ZINC000901616605 620954910 /nfs/dbraw/zinc/95/49/10/620954910.db2.gz PYGVVBILWBJLKV-NSHDSACASA-N -1 1 290.413 3.447 20 0 CGADMM CC(C)c1cnc(CN2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000901996181 621089535 /nfs/dbraw/zinc/08/95/35/621089535.db2.gz GJLNRLZUTDNDBJ-LBPRGKRZSA-N -1 1 296.436 3.486 20 0 CGADMM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000902019761 621106197 /nfs/dbraw/zinc/10/61/97/621106197.db2.gz SKZRVYUWKYQMQK-UBHSHLNASA-N -1 1 279.380 3.334 20 0 CGADMM CSc1ccc(CN2CCCCC[C@H]2C(=O)[O-])s1 ZINC000902039458 621110609 /nfs/dbraw/zinc/11/06/09/621110609.db2.gz UPASOTSSGFYAEC-NSHDSACASA-N -1 1 285.434 3.299 20 0 CGADMM Cc1oc(CN[C@H]2CCc3cc(C)ccc32)cc1C(=O)[O-] ZINC000902175679 621184618 /nfs/dbraw/zinc/18/46/18/621184618.db2.gz SSGHBXXETUFVPR-INIZCTEOSA-N -1 1 285.343 3.372 20 0 CGADMM O=C([O-])COc1ccc(CN2CC[C@H]2c2ccccc2)cc1 ZINC000902512849 621352172 /nfs/dbraw/zinc/35/21/72/621352172.db2.gz PNPSIAXNGYTUGP-KRWDZBQOSA-N -1 1 297.354 3.097 20 0 CGADMM Cc1ccc(F)c(CN2CCCC[C@@H]2CC(=O)[O-])c1F ZINC000903409271 621732980 /nfs/dbraw/zinc/73/29/80/621732980.db2.gz UBYTVRPBJZQNBJ-LLVKDONJSA-N -1 1 283.318 3.102 20 0 CGADMM CC[C@@H](NCc1ccc(C(=O)[O-])s1)c1c(C)noc1C ZINC000903681145 621787972 /nfs/dbraw/zinc/78/79/72/621787972.db2.gz SOVZHBLJUHRDIV-LLVKDONJSA-N -1 1 294.376 3.292 20 0 CGADMM CCc1ccc(CNCc2ccc(C(=O)[O-])c(C)n2)s1 ZINC000903993207 621848584 /nfs/dbraw/zinc/84/85/84/621848584.db2.gz NYQXIKKROXVXLU-UHFFFAOYSA-N -1 1 290.388 3.002 20 0 CGADMM Cc1[n-]n(-c2ccc(Cl)c(C)c2)c(=O)c1C1CC1 ZINC000905021705 622030908 /nfs/dbraw/zinc/03/09/08/622030908.db2.gz AJWQZOSGTHZCNT-CYBMUJFWSA-N -1 1 262.740 3.397 20 0 CGADMM COc1cnc(C=Cc2cccc3c2OC(C)(C)C3)[n-]c1=O ZINC000905076671 622037538 /nfs/dbraw/zinc/03/75/38/622037538.db2.gz KDURFTCTGXEYFC-FPLPWBNLSA-N -1 1 298.342 3.075 20 0 CGADMM COc1ccc([C@H](C)NCc2cc(C(=O)[O-])co2)cc1C ZINC000905726889 622101145 /nfs/dbraw/zinc/10/11/45/622101145.db2.gz JKMXDDWMHTUIRT-NSHDSACASA-N -1 1 289.331 3.146 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N1[N-]C(=O)C(F)(F)Cc1ccccc1 ZINC000907996967 622321191 /nfs/dbraw/zinc/32/11/91/622321191.db2.gz OCQAJAFBOWDXSA-CHWSQXEVSA-N -1 1 296.361 3.159 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)[C@H]1C[C@@H]1C1CC1 ZINC000908708090 622369150 /nfs/dbraw/zinc/36/91/50/622369150.db2.gz PAFSWOCRXDOAGK-BDAKNGLRSA-N -1 1 296.164 3.139 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C1C[C@H]2CC[C@@H](C1)S2 ZINC000909972370 622440311 /nfs/dbraw/zinc/44/03/11/622440311.db2.gz LRPORQNJDHUSMO-CBLAIPOGSA-N -1 1 299.342 3.283 20 0 CGADMM O=C(C[C@@H]1CCC(F)(F)C1)Nc1cc([O-])c(F)cc1F ZINC000909986248 622443430 /nfs/dbraw/zinc/44/34/30/622443430.db2.gz DVSIKYOBBYBNRC-ZETCQYMHSA-N -1 1 291.244 3.434 20 0 CGADMM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909981453 622444325 /nfs/dbraw/zinc/44/43/25/622444325.db2.gz QFNACGXGKWVFDU-NXEZZACHSA-N -1 1 299.317 3.204 20 0 CGADMM CC1(C)CC[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910987749 622513202 /nfs/dbraw/zinc/51/32/02/622513202.db2.gz VLXGVXGWOXTEGK-QMMMGPOBSA-N -1 1 255.264 3.045 20 0 CGADMM O=C(NCCC1CCC1)c1cc2ccccc2cc1[O-] ZINC000156788541 622843822 /nfs/dbraw/zinc/84/38/22/622843822.db2.gz SVVARNFSHFGJOE-UHFFFAOYSA-N -1 1 269.344 3.465 20 0 CGADMM CSc1ccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000226605362 622985524 /nfs/dbraw/zinc/98/55/24/622985524.db2.gz YCRLOUJSXWTBPI-SSDOTTSWSA-N -1 1 295.301 3.486 20 0 CGADMM O=C(CCc1ccc2ccccc2c1)[N-]OCC(F)F ZINC000759328826 623527697 /nfs/dbraw/zinc/52/76/97/623527697.db2.gz RLOYNHXZMHXUEN-UHFFFAOYSA-N -1 1 279.286 3.085 20 0 CGADMM Cc1ccc(N(C)C(=O)c2ccccc2[O-])cc1C ZINC000917808061 624311853 /nfs/dbraw/zinc/31/18/53/624311853.db2.gz XJATXEBDWPMTQZ-UHFFFAOYSA-N -1 1 255.317 3.286 20 0 CGADMM C[C@H](C(=O)[N-]OCc1ccccc1)c1ccsc1 ZINC000155073598 624421863 /nfs/dbraw/zinc/42/18/63/624421863.db2.gz WYNQZUHVSUYKGJ-NSHDSACASA-N -1 1 261.346 3.100 20 0 CGADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccnc(Cl)c2)c1 ZINC000180242385 624730228 /nfs/dbraw/zinc/73/02/28/624730228.db2.gz XRMQXRZRDQDAPO-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000867006712 626325547 /nfs/dbraw/zinc/32/55/47/626325547.db2.gz NDSQUYUCBKBZOK-RKDXNWHRSA-N -1 1 251.301 3.152 20 0 CGADMM CCO[N-]C(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000751308933 626384595 /nfs/dbraw/zinc/38/45/95/626384595.db2.gz ZFHXJJLQIVAQPC-ZETCQYMHSA-N -1 1 262.136 3.165 20 0 CGADMM CCc1ccc(C(C)(C)[N-]C(=O)C(F)(F)F)cc1 ZINC000751434719 626390287 /nfs/dbraw/zinc/39/02/87/626390287.db2.gz KQUTYOSGYKEDCG-UHFFFAOYSA-N -1 1 259.271 3.163 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CNCc2ccccc2C(=O)[O-])o1 ZINC000874042636 634508435 /nfs/dbraw/zinc/50/84/35/634508435.db2.gz CUUFOIMPVGLYHW-IAQYHMDHSA-N -1 1 285.343 3.391 20 0 CGADMM COc1ccc(/C=C\C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000759701025 626916592 /nfs/dbraw/zinc/91/65/92/626916592.db2.gz JAIANLOWKGZSFP-WTKPLQERSA-N -1 1 287.290 3.192 20 0 CGADMM CCC[C@@H](C)c1noc(-c2ccc(OC)cc2[O-])n1 ZINC000761848693 627066588 /nfs/dbraw/zinc/06/65/88/627066588.db2.gz OPWQZAHVWJFXAT-SECBINFHSA-N -1 1 262.309 3.354 20 0 CGADMM C[C@H](CC(=O)[N-]OCC(F)(F)F)CC(C)(C)C ZINC000766772092 627359992 /nfs/dbraw/zinc/35/99/92/627359992.db2.gz VSWJQYMRCZSMQV-MRVPVSSYSA-N -1 1 255.280 3.059 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccnn2CC2CC2)c([O-])c1 ZINC000770021908 627598753 /nfs/dbraw/zinc/59/87/53/627598753.db2.gz YIRFXNXDOMHZBC-UHFFFAOYSA-N -1 1 299.374 3.374 20 0 CGADMM CC(C)c1nsc([N-]C(=O)c2csc(Cl)n2)n1 ZINC000874694292 634594013 /nfs/dbraw/zinc/59/40/13/634594013.db2.gz LTHMWWQPHSDGAT-UHFFFAOYSA-N -1 1 288.785 3.024 20 0 CGADMM Cc1cnc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(C)c1 ZINC000771223005 627691499 /nfs/dbraw/zinc/69/14/99/627691499.db2.gz TZICZWICHWWETI-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(F)CCCC1 ZINC000773455362 627885186 /nfs/dbraw/zinc/88/51/86/627885186.db2.gz GZXAJBMAOOYMCT-UHFFFAOYSA-N -1 1 257.692 3.266 20 0 CGADMM C[C@@H]1CCCC[C@@H]1OCCOC(=O)c1ccc([O-])cc1F ZINC000773566948 627897241 /nfs/dbraw/zinc/89/72/41/627897241.db2.gz RARMEKKFXZASCW-ABAIWWIYSA-N -1 1 296.338 3.283 20 0 CGADMM CCC[C@H](C)c1noc(-c2ccc([O-])cc2F)n1 ZINC000776881810 628237859 /nfs/dbraw/zinc/23/78/59/628237859.db2.gz KKSVSQQNDICOAU-QMMMGPOBSA-N -1 1 250.273 3.485 20 0 CGADMM COc1cccc([C@H](C)C(=O)[N-]OC2CCCCC2)c1 ZINC000777960343 628314842 /nfs/dbraw/zinc/31/48/42/628314842.db2.gz DAZFTAOEOCOOTQ-LBPRGKRZSA-N -1 1 277.364 3.179 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2csc(-c3cccs3)n2)S1 ZINC000874927320 634652665 /nfs/dbraw/zinc/65/26/65/634652665.db2.gz GTDQNSQAMCQYGL-YWEYNIOJSA-N -1 1 294.382 3.196 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cccc(-c3ccccn3)c2)S1 ZINC000874929330 634653674 /nfs/dbraw/zinc/65/36/74/634653674.db2.gz ZGZFULRZIMIXEE-LCYFTJDESA-N -1 1 282.324 3.073 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cccc(CC3CCC3)c2)S1 ZINC000874929492 634654302 /nfs/dbraw/zinc/65/43/02/634654302.db2.gz FEIJTZPRQNULNL-LCYFTJDESA-N -1 1 273.357 3.353 20 0 CGADMM COCC1(N(C)C(=O)c2ccc3ccccc3c2[O-])CCC1 ZINC000874937165 634656115 /nfs/dbraw/zinc/65/61/15/634656115.db2.gz LYGLZYUTMUGMAC-UHFFFAOYSA-N -1 1 299.370 3.187 20 0 CGADMM Cc1cc(F)cc(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000790048050 629179761 /nfs/dbraw/zinc/17/97/61/629179761.db2.gz PPRWRMRNWJFPHI-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccsc1 ZINC000790047573 629180025 /nfs/dbraw/zinc/18/00/25/629180025.db2.gz JUKNQXSMHKKQAK-SSDOTTSWSA-N -1 1 282.752 3.244 20 0 CGADMM CC[C@@H](CO)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000862295963 629341843 /nfs/dbraw/zinc/34/18/43/629341843.db2.gz XFXOSHRJDVYSNP-VIFPVBQESA-N -1 1 293.750 3.156 20 0 CGADMM CC1(C)CN(C(=O)c2c([O-])cccc2Cl)[C@H]1C1CC1 ZINC000793409928 629457924 /nfs/dbraw/zinc/45/79/24/629457924.db2.gz CNPZEANVMVOXKW-ZDUSSCGKSA-N -1 1 279.767 3.306 20 0 CGADMM O=C(C=C1CCCCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863476192 629583366 /nfs/dbraw/zinc/58/33/66/629583366.db2.gz WQOOQQFFKDVLBJ-UHFFFAOYSA-N -1 1 297.358 3.407 20 0 CGADMM O=C(/C=C\C1CCCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863477164 629584837 /nfs/dbraw/zinc/58/48/37/629584837.db2.gz HSJUTHCSVVBJLL-YHYXMXQVSA-N -1 1 297.358 3.263 20 0 CGADMM O=c1nc(NCC2CCC3(CC3)CC2)cc(Cl)[n-]1 ZINC000864090325 629765859 /nfs/dbraw/zinc/76/58/59/629765859.db2.gz AOQIEDLWIXSDGE-UHFFFAOYSA-N -1 1 267.760 3.218 20 0 CGADMM CCO[N-]C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000120420922 630020937 /nfs/dbraw/zinc/02/09/37/630020937.db2.gz CGALWYIPMGQHSY-ZDUSSCGKSA-N -1 1 297.354 3.089 20 0 CGADMM O=c1cc(C(F)F)nc(SCc2coc(C3CC3)n2)[n-]1 ZINC000865369018 630079415 /nfs/dbraw/zinc/07/94/15/630079415.db2.gz ZMHUIONYCUPBTI-UHFFFAOYSA-N -1 1 299.302 3.278 20 0 CGADMM Cc1cc(C)nc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000801179213 630326770 /nfs/dbraw/zinc/32/67/70/630326770.db2.gz SJDASCUZECJULJ-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM O=C(OCCCCF)c1ccc(Br)c([O-])c1 ZINC000803402790 630473368 /nfs/dbraw/zinc/47/33/68/630473368.db2.gz NUFIAFOIRKVDCX-UHFFFAOYSA-N -1 1 291.116 3.061 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@]12C[C@@H]1CCCC2 ZINC000876397909 634826665 /nfs/dbraw/zinc/82/66/65/634826665.db2.gz AJSLDQSRBOKMRH-NHYWBVRUSA-N -1 1 294.782 3.178 20 0 CGADMM CCN(C(=O)NCc1ccc([O-])c(Cl)c1)C1CCC1 ZINC000876393957 634826906 /nfs/dbraw/zinc/82/69/06/634826906.db2.gz OCXLZSCAHUKSIX-UHFFFAOYSA-N -1 1 282.771 3.130 20 0 CGADMM CC[C@H](C)CONC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000816976329 632066287 /nfs/dbraw/zinc/06/62/87/632066287.db2.gz BJOHVINNBGDINA-QMMMGPOBSA-N -1 1 291.269 3.119 20 0 CGADMM CC[C@H](C)CONC(=O)c1ccc2ccccc2c1[O-] ZINC000816979127 632068243 /nfs/dbraw/zinc/06/82/43/632068243.db2.gz INYSUQKGGQEGPS-NSHDSACASA-N -1 1 273.332 3.253 20 0 CGADMM CCCO[N-]C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000844084930 635817258 /nfs/dbraw/zinc/81/72/58/635817258.db2.gz JPANRKVOJDSYSY-GFCCVEGCSA-N -1 1 257.333 3.401 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C=Cc1ccc(C(C)(C)C)cc1 ZINC000820403523 632619549 /nfs/dbraw/zinc/61/95/49/632619549.db2.gz VHHOAQMUNKTXTQ-JXMROGBWSA-N -1 1 299.374 3.373 20 0 CGADMM CC[C@@](O)(CC(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000840426154 632738770 /nfs/dbraw/zinc/73/87/70/632738770.db2.gz MAHJALJHMVYNEY-QGZVFWFLSA-N -1 1 291.391 3.055 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)[C@]12C[C@H]1CCC2 ZINC000821374364 632759258 /nfs/dbraw/zinc/75/92/58/632759258.db2.gz DXELYHACTHCSIL-AMIZOPFISA-N -1 1 296.164 3.283 20 0 CGADMM Cc1cccc(-c2nc(=NOCCOC(C)C)s[n-]2)c1 ZINC000865822988 632901382 /nfs/dbraw/zinc/90/13/82/632901382.db2.gz PWDPZQKKCPKLKS-UHFFFAOYSA-N -1 1 293.392 3.282 20 0 CGADMM CC1(C)CC[C@@H](COC(=O)Cc2ccc([O-])c(Cl)c2)O1 ZINC000869736333 633502262 /nfs/dbraw/zinc/50/22/62/633502262.db2.gz GXQWBSRQFQSIIB-NSHDSACASA-N -1 1 298.766 3.089 20 0 CGADMM CCc1[n-]n(-c2cc(Cl)ccc2Cl)c(=O)c1F ZINC000871947697 633922963 /nfs/dbraw/zinc/92/29/63/633922963.db2.gz BSSVRQFWXKQXIY-JTQLQIEISA-N -1 1 275.110 3.444 20 0 CGADMM CCCc1c(C)[n-]n(C[C@H]2CCCC2(F)F)c1=O ZINC000871962557 633929123 /nfs/dbraw/zinc/92/91/23/633929123.db2.gz DQWSHVDSJHQDDK-MNOVXSKESA-N -1 1 258.312 3.056 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000873040552 634236674 /nfs/dbraw/zinc/23/66/74/634236674.db2.gz DFRKTSMICDOSHA-NTZNESFSSA-N -1 1 294.782 3.033 20 0 CGADMM CC(C)(C(=O)NCc1ccc([O-])c(Cl)c1)C1CCC1 ZINC000834823128 634248267 /nfs/dbraw/zinc/24/82/67/634248267.db2.gz TXUTZGFNOFTREQ-UHFFFAOYSA-N -1 1 281.783 3.488 20 0 CGADMM C[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834823665 634248525 /nfs/dbraw/zinc/24/85/25/634248525.db2.gz ZOCXILKHVVRPEF-ZUZCIYMTSA-N -1 1 281.783 3.488 20 0 CGADMM O=C(CCC(F)(F)F)NCc1ccc([O-])c(Cl)c1 ZINC000834829007 634250154 /nfs/dbraw/zinc/25/01/54/634250154.db2.gz HTEYGJWFPJXGOW-UHFFFAOYSA-N -1 1 281.661 3.004 20 0 CGADMM CCn1ccc(C(=O)NCc2ccc([O-])c(Cl)c2)c1C ZINC000834834103 634252844 /nfs/dbraw/zinc/25/28/44/634252844.db2.gz WPHNFZLXKIQSGV-UHFFFAOYSA-N -1 1 292.766 3.105 20 0 CGADMM O=C1N[C@H](c2cccc([O-])c2Cl)Nc2cc(F)ccc21 ZINC000877847896 635239577 /nfs/dbraw/zinc/23/95/77/635239577.db2.gz FFYFNUTXPZIMTD-CYBMUJFWSA-N -1 1 292.697 3.039 20 0 CGADMM O=C(COC1CC1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000880806372 636052133 /nfs/dbraw/zinc/05/21/33/636052133.db2.gz PXDPFTXSCRGJMC-UHFFFAOYSA-N -1 1 291.734 3.316 20 0 CGADMM CC1(C)CC[C@H](CC(=O)Nc2cccc(F)c2[O-])OC1 ZINC000880853469 636053574 /nfs/dbraw/zinc/05/35/74/636053574.db2.gz FUVDSAKERJTMOU-SNVBAGLBSA-N -1 1 281.327 3.065 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCCC(C)(C)O2)n1 ZINC000882159230 636273237 /nfs/dbraw/zinc/27/32/37/636273237.db2.gz UWASKJNEEBNXFL-NSHDSACASA-N -1 1 282.409 3.184 20 0 CGADMM O=C(C[C@@H]1OCc2cc(Cl)ccc21)[N-]OC1CCCC1 ZINC000847661243 636415025 /nfs/dbraw/zinc/41/50/25/636415025.db2.gz BACAZNWRUVYLKK-AWEZNQCLSA-N -1 1 295.766 3.292 20 0 CGADMM CC[C@@H](C)CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000849425990 636822846 /nfs/dbraw/zinc/82/28/46/636822846.db2.gz FQGYJEZTYAHUTK-LLVKDONJSA-N -1 1 281.377 3.147 20 0 CGADMM CC1(C)CC[C@@H](C(=O)Nc2cc(F)c([O-])cc2Cl)O1 ZINC000885678450 637283753 /nfs/dbraw/zinc/28/37/53/637283753.db2.gz PRUJFTZUPNOQHU-NSHDSACASA-N -1 1 287.718 3.081 20 0 CGADMM COCCC[C@@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676675 637284305 /nfs/dbraw/zinc/28/43/05/637284305.db2.gz RNSCHWOIIBIOML-MRVPVSSYSA-N -1 1 289.734 3.186 20 0 CGADMM O=c1c2c([n-]n1C1CCSCC1)CCCCCC2 ZINC000887292835 637790684 /nfs/dbraw/zinc/79/06/84/637790684.db2.gz HVBXPDFXIPHGIO-GFCCVEGCSA-N -1 1 266.410 3.051 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H]1C1CCCC1 ZINC000889406934 638023793 /nfs/dbraw/zinc/02/37/93/638023793.db2.gz FQIWEEXCUKIOEA-LLVKDONJSA-N -1 1 281.302 3.075 20 0 CGADMM CCC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CC1 ZINC000885675872 638036828 /nfs/dbraw/zinc/03/68/28/638036828.db2.gz CYTRGTGCJYGTOO-UHFFFAOYSA-N -1 1 257.692 3.313 20 0 CGADMM COC[C@@H](C)[C@@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678900 638049179 /nfs/dbraw/zinc/04/91/79/638049179.db2.gz XIOKOKZIMVVSJC-HTQZYQBOSA-N -1 1 289.734 3.042 20 0 CGADMM CSCC1(CCNC(=O)c2c([O-])cccc2Cl)CC1 ZINC000855398279 638186645 /nfs/dbraw/zinc/18/66/45/638186645.db2.gz WEAXABRMIPCUCU-UHFFFAOYSA-N -1 1 299.823 3.309 20 0 CGADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1c([O-])cccc1Cl ZINC000856243628 638327144 /nfs/dbraw/zinc/32/71/44/638327144.db2.gz PNBIZPYJSBFCNN-FGWVZKOKSA-N -1 1 279.767 3.449 20 0 CGADMM CC(C)(C)CCCCNc1cc(Cl)[n-]c(=O)n1 ZINC000858395114 638702892 /nfs/dbraw/zinc/70/28/92/638702892.db2.gz HFMLQJQUVCLEPL-UHFFFAOYSA-N -1 1 257.765 3.464 20 0 CGADMM C[C@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCCCC1 ZINC000858422269 638712451 /nfs/dbraw/zinc/71/24/51/638712451.db2.gz RWDMKICDQADANO-QMMMGPOBSA-N -1 1 255.749 3.216 20 0 CGADMM CC(C)CC(C)(C)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858440013 638719975 /nfs/dbraw/zinc/71/99/75/638719975.db2.gz VXLKNXNVIJVNNB-UHFFFAOYSA-N -1 1 257.765 3.320 20 0 CGADMM CC(C)C[C@@H]1CCCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858442887 638720167 /nfs/dbraw/zinc/72/01/67/638720167.db2.gz BUZYAKAHIXIYIM-JTQLQIEISA-N -1 1 269.776 3.241 20 0 CGADMM CCC(CC)[C@@H]1C[C@@H](Nc2cc(Cl)[n-]c(=O)n2)CCO1 ZINC000858468545 638726926 /nfs/dbraw/zinc/72/69/26/638726926.db2.gz HOZNQKYDTNYCOS-QWRGUYRKSA-N -1 1 299.802 3.231 20 0 CGADMM C[C@H]1CCC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858507311 638749205 /nfs/dbraw/zinc/74/92/05/638749205.db2.gz HIFXSVHLPVVFJC-DTWKUNHWSA-N -1 1 255.749 3.216 20 0 CGADMM CC(C)[C@@H]1N(c2cc(Cl)[n-]c(=O)n2)CC12CCCC2 ZINC000858565398 638762527 /nfs/dbraw/zinc/76/25/27/638762527.db2.gz OKEYEGJLNAKVTP-LBPRGKRZSA-N -1 1 281.787 3.241 20 0 CGADMM C[C@@H]1CC(CNc2cc(Cl)[n-]c(=O)n2)C[C@@H](C)C1 ZINC000858622894 639004506 /nfs/dbraw/zinc/00/45/06/639004506.db2.gz BYEGACZHTGYHOU-IUCAKERBSA-N -1 1 269.776 3.320 20 0 CGADMM C[C@H](CN(C)c1cc(Cl)[n-]c(=O)n1)C1CCCCC1 ZINC000858786740 639021448 /nfs/dbraw/zinc/02/14/48/639021448.db2.gz UGOUWMBXZLNWIY-SNVBAGLBSA-N -1 1 283.803 3.488 20 0 CGADMM COc1cnc([C@@H]2CCC[N@H+]2CCCC(C)(C)C)[nH]c1=O ZINC000934275090 639570299 /nfs/dbraw/zinc/57/02/99/639570299.db2.gz ZEWOJLYQVQTJOJ-LBPRGKRZSA-N -1 1 293.411 3.154 20 0 CGADMM COc1ccc(C)cc1C=C1SC(=S)[N-]C1=O ZINC000047832977 640028601 /nfs/dbraw/zinc/02/86/01/640028601.db2.gz NLYKTTZSNWMXGP-POHAHGRESA-N -1 1 265.359 3.333 20 0 CGADMM CC(C)c1nc(C(=O)Nc2nc(Cl)ccc2[O-])cs1 ZINC000188368980 640134185 /nfs/dbraw/zinc/13/41/85/640134185.db2.gz YOYYDQPGAPLQPL-UHFFFAOYSA-N -1 1 297.767 3.273 20 0 CGADMM Cc1ccc2ccc(C(=O)N(C)C3CC(C)C3)c([O-])c2n1 ZINC001155653453 805600282 /nfs/dbraw/zinc/60/02/82/805600282.db2.gz IEQQEGZOOJUGHY-UHFFFAOYSA-N -1 1 284.359 3.119 20 0 CGADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC001155831566 805613627 /nfs/dbraw/zinc/61/36/27/805613627.db2.gz HRNVIAJYSQOYBK-HPAJIGNASA-N -1 1 281.355 3.320 20 0 CGADMM Cn1c2ccc(F)cc2nc1-c1cccc(F)c1[O-] ZINC001250681559 805754812 /nfs/dbraw/zinc/75/48/12/805754812.db2.gz YLSFOXKJRZRTLB-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CCOc1ccc2nc(-c3ccccc3C(=O)[O-])[nH]c2c1 ZINC001250879119 805790903 /nfs/dbraw/zinc/79/09/03/805790903.db2.gz JFODGSXOSQMSPV-UHFFFAOYSA-N -1 1 282.299 3.327 20 0 CGADMM Cc1[nH]c(-c2nc3ccc(F)cc3[nH]2)c(C)c1C(=O)[O-] ZINC001250876824 805791174 /nfs/dbraw/zinc/79/11/74/805791174.db2.gz PJZNNQOZWNLPMC-UHFFFAOYSA-N -1 1 273.267 3.012 20 0 CGADMM Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001251141416 805854416 /nfs/dbraw/zinc/85/44/16/805854416.db2.gz TUHBRNJBYAJESZ-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM COc1cc2nc(-c3ccc(F)c(F)c3[O-])[nH]c2cc1F ZINC001251258808 805873661 /nfs/dbraw/zinc/87/36/61/805873661.db2.gz LXMDTWRCTYFPOV-UHFFFAOYSA-N -1 1 294.232 3.361 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C)cc1 ZINC001252178488 806028597 /nfs/dbraw/zinc/02/85/97/806028597.db2.gz LNMGATUNQCKFEP-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=C(Nc1cccc(C2CC2)n1)c1ccc(F)c([O-])c1 ZINC001159039241 806035983 /nfs/dbraw/zinc/03/59/83/806035983.db2.gz UUSOANTYUGOGAS-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM CCc1ccc(-c2nnc(-c3ccncc3[O-])o2)cc1 ZINC001253002379 806150965 /nfs/dbraw/zinc/15/09/65/806150965.db2.gz TZRKDCVHGQNRCJ-UHFFFAOYSA-N -1 1 267.288 3.067 20 0 CGADMM CCc1c(Cl)cc(NS(=O)(=O)CC)c([O-])c1Cl ZINC001253361596 806210212 /nfs/dbraw/zinc/21/02/12/806210212.db2.gz VEWQJDRTPSHGBH-UHFFFAOYSA-N -1 1 298.191 3.023 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1Nc1ccc2nc[nH]c2c1 ZINC001160224327 806238500 /nfs/dbraw/zinc/23/85/00/806238500.db2.gz QDTCKPCVMJWEHV-UHFFFAOYSA-N -1 1 267.288 3.313 20 0 CGADMM [O-]c1cccc(-c2nnc(Cc3ccccc3)o2)c1F ZINC001253579483 806263808 /nfs/dbraw/zinc/26/38/08/806263808.db2.gz FAJQQWDMDRPACS-UHFFFAOYSA-N -1 1 270.263 3.172 20 0 CGADMM CC(=O)c1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001160918158 806321784 /nfs/dbraw/zinc/32/17/84/806321784.db2.gz ZSDBJFPNSZWDQH-UHFFFAOYSA-N -1 1 291.253 3.125 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1nnc(C2CC2)o1 ZINC001254048141 806333413 /nfs/dbraw/zinc/33/34/13/806333413.db2.gz GLEPLUCSLQKCOU-UHFFFAOYSA-N -1 1 270.210 3.338 20 0 CGADMM CCc1nnc(-c2ccccc2C(=O)c2ccc([O-])cc2)o1 ZINC001255138128 806552006 /nfs/dbraw/zinc/55/20/06/806552006.db2.gz LCKMNJMNKMPJOA-UHFFFAOYSA-N -1 1 294.310 3.236 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)cc(C)c1F ZINC001255642693 806689764 /nfs/dbraw/zinc/68/97/64/806689764.db2.gz QHQLNGSSYHCGQZ-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161389757 799079052 /nfs/dbraw/zinc/07/90/52/799079052.db2.gz ZPZAUQFMFJRDCX-CQSZACIVSA-N -1 1 285.746 3.166 20 0 CGADMM C[C@H]1CCC[C@@H](CNC(=O)c2c([O-])cccc2F)C1 ZINC000235685092 799144477 /nfs/dbraw/zinc/14/44/77/799144477.db2.gz FZQWBFUOANWELX-WDEREUQCSA-N -1 1 265.328 3.087 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2ccc3ncccc3c2)no1 ZINC000316185671 799241330 /nfs/dbraw/zinc/24/13/30/799241330.db2.gz ZYHWSZGHLHHGGD-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](C(F)(F)F)C1 ZINC000382155446 799393816 /nfs/dbraw/zinc/39/38/16/799393816.db2.gz KOVFAVZLYNWTKT-SSDOTTSWSA-N -1 1 293.672 3.070 20 0 CGADMM C[C@]1(NC(=O)c2ccc(Cl)cc2[O-])CC=CCC1 ZINC000398313464 799529843 /nfs/dbraw/zinc/52/98/43/799529843.db2.gz CYRMPCGFOJUCFJ-AWEZNQCLSA-N -1 1 265.740 3.274 20 0 CGADMM Cc1cc(C(=O)Nc2cccc(F)c2[O-])cc(Cl)n1 ZINC000707951968 799982220 /nfs/dbraw/zinc/98/22/20/799982220.db2.gz SDWFGHYIDHXVHS-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@@](C)(C(F)(F)F)C1 ZINC000708929722 800001208 /nfs/dbraw/zinc/00/12/08/800001208.db2.gz UVSUDYMHXJHJIF-GFCCVEGCSA-N -1 1 291.269 3.061 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1csc(C)c1 ZINC000710839093 800041100 /nfs/dbraw/zinc/04/11/00/800041100.db2.gz NFBGBBXRBHUBAL-UHFFFAOYSA-N -1 1 263.318 3.023 20 0 CGADMM [O-]c1ccc(-c2noc(CCNc3ccccc3)n2)c(F)c1 ZINC001255961406 806799950 /nfs/dbraw/zinc/79/99/50/806799950.db2.gz WADXSTCKTURUGK-UHFFFAOYSA-N -1 1 299.305 3.236 20 0 CGADMM CC(C)[C@@H](F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000809471386 800439753 /nfs/dbraw/zinc/43/97/53/800439753.db2.gz RHDLHIZIXAADOA-SNVBAGLBSA-N -1 1 254.236 3.248 20 0 CGADMM CCCOc1ccc(-c2nnc(-c3ncccc3[O-])o2)cc1 ZINC001256234717 806852969 /nfs/dbraw/zinc/85/29/69/806852969.db2.gz AHEATXFWDXNKEF-UHFFFAOYSA-N -1 1 297.314 3.293 20 0 CGADMM O=Cc1cc(Cl)cc(Oc2cc(Cl)nc(=O)[n-]2)c1 ZINC001164357440 806939119 /nfs/dbraw/zinc/93/91/19/806939119.db2.gz BSHITLYJPOHTHW-UHFFFAOYSA-N -1 1 285.086 3.094 20 0 CGADMM COC(=O)c1cc(C)cc(-c2c([O-])cccc2Cl)n1 ZINC001244036033 803154067 /nfs/dbraw/zinc/15/40/67/803154067.db2.gz PFEYWXWALCQSEG-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Nc1ccc2cc(-c3cc(F)c([O-])c(F)c3)ccc2n1 ZINC001244097820 803185778 /nfs/dbraw/zinc/18/57/78/803185778.db2.gz RRFZYYKCDSSYAA-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM O=C1Cc2cc(-c3ccc4sccc4c3)ccc2C(=O)[N-]1 ZINC001244301295 803286277 /nfs/dbraw/zinc/28/62/77/803286277.db2.gz TYONOMNLKMXLNQ-UHFFFAOYSA-N -1 1 293.347 3.381 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cc(F)ccc3N)ccc2[n-]1 ZINC001244401226 803349205 /nfs/dbraw/zinc/34/92/05/803349205.db2.gz QNICCSBOIJOTNM-UHFFFAOYSA-N -1 1 299.305 3.128 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cc(F)ccc3N)cc2[n-]1 ZINC001244401226 803349216 /nfs/dbraw/zinc/34/92/16/803349216.db2.gz QNICCSBOIJOTNM-UHFFFAOYSA-N -1 1 299.305 3.128 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1cnc2cc[nH]c2n1 ZINC001244464595 803380799 /nfs/dbraw/zinc/38/07/99/803380799.db2.gz UBARQRJPNOCOTJ-UHFFFAOYSA-N -1 1 295.220 3.229 20 0 CGADMM Cc1nc2c(ccn2C)c(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244538478 803427096 /nfs/dbraw/zinc/42/70/96/803427096.db2.gz LNJFOJKIKJUJHZ-UHFFFAOYSA-N -1 1 291.713 3.442 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccn3ccnc3c2)c1F ZINC001244539783 803428239 /nfs/dbraw/zinc/42/82/39/803428239.db2.gz HYCUKCIUNMAINF-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM [O-]c1ccc(Cl)c(-c2nnc3ccccc3n2)c1F ZINC001244540381 803428414 /nfs/dbraw/zinc/42/84/14/803428414.db2.gz NAQHRYFTOFKOFF-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM O=C1Cc2cccc(-c3c(Cl)ccc([O-])c3F)c2N1 ZINC001244539749 803428530 /nfs/dbraw/zinc/42/85/30/803428530.db2.gz GCPLQTGFBISSDF-UHFFFAOYSA-N -1 1 277.682 3.346 20 0 CGADMM COc1cnccc1-c1c(Cl)ccc([O-])c1F ZINC001244540931 803428709 /nfs/dbraw/zinc/42/87/09/803428709.db2.gz JWYIZNPKJGCACS-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM O=C([O-])c1cc(-c2cccn3cncc23)c(F)cc1Cl ZINC001244612184 803464079 /nfs/dbraw/zinc/46/40/79/803464079.db2.gz HZISUIQVOWOREE-UHFFFAOYSA-N -1 1 290.681 3.492 20 0 CGADMM O=[P@@]([O-])(O)c1ccc(-c2ccc(C3CCC3)cc2)cc1 ZINC001244942933 803585284 /nfs/dbraw/zinc/58/52/84/803585284.db2.gz QAIQIZZMKIRVRS-UHFFFAOYSA-N -1 1 288.283 3.424 20 0 CGADMM O=[P@]([O-])(O)c1ccc(-c2ccc(C3CCC3)cc2)cc1 ZINC001244942933 803585285 /nfs/dbraw/zinc/58/52/85/803585285.db2.gz QAIQIZZMKIRVRS-UHFFFAOYSA-N -1 1 288.283 3.424 20 0 CGADMM Cc1cc(F)cc(Cl)c1-c1ccc(-c2nnn[n-]2)nc1 ZINC001245059812 803626118 /nfs/dbraw/zinc/62/61/18/803626118.db2.gz OZBZGLOSWZAHJA-UHFFFAOYSA-N -1 1 289.701 3.030 20 0 CGADMM Cc1cc(F)cc(Cl)c1-c1ccc(-c2nn[n-]n2)nc1 ZINC001245059812 803626120 /nfs/dbraw/zinc/62/61/20/803626120.db2.gz OZBZGLOSWZAHJA-UHFFFAOYSA-N -1 1 289.701 3.030 20 0 CGADMM CC(C)(C)CCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001136191461 803636030 /nfs/dbraw/zinc/63/60/30/803636030.db2.gz NPPQJKOTGOVIJL-UHFFFAOYSA-N -1 1 290.338 3.246 20 0 CGADMM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001136967048 803663232 /nfs/dbraw/zinc/66/32/32/803663232.db2.gz QXWRWNKNOSHEEG-VHSXEESVSA-N -1 1 253.317 3.086 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cncc2[nH]ccc21 ZINC001137674106 803756683 /nfs/dbraw/zinc/75/66/83/803756683.db2.gz FZRSZCRVAMIXSE-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM Cc1cc(-c2cc(Cl)c(O)cc2F)cnc1C(=O)[O-] ZINC001245670373 803900043 /nfs/dbraw/zinc/90/00/43/803900043.db2.gz GSYOOPRXODHQHK-UHFFFAOYSA-N -1 1 281.670 3.253 20 0 CGADMM CCN(CC)c1cc(-c2c(F)ccc([O-])c2Cl)ncn1 ZINC001245830589 803984076 /nfs/dbraw/zinc/98/40/76/803984076.db2.gz SPKXEGPIAIRUNM-UHFFFAOYSA-N -1 1 295.745 3.488 20 0 CGADMM COc1nc(C)nc(-c2c(F)ccc([O-])c2Cl)c1C ZINC001245830660 803985038 /nfs/dbraw/zinc/98/50/38/803985038.db2.gz SEFQNAINYIDZBB-UHFFFAOYSA-N -1 1 282.702 3.267 20 0 CGADMM Cc1cnc(-c2c(F)ccc([O-])c2Cl)cc1N ZINC001245830359 803985091 /nfs/dbraw/zinc/98/50/91/803985091.db2.gz MNUUQXMPQQLWIL-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM COc1cnc(F)c(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245833371 803988811 /nfs/dbraw/zinc/98/88/11/803988811.db2.gz YWRKBRNVBOKZTQ-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM COc1cc(-n2[n-]c(CC(C)(C)C)cc2=O)ccc1F ZINC001245932389 804061705 /nfs/dbraw/zinc/06/17/05/804061705.db2.gz NDEJHNGYFNBCMM-UHFFFAOYSA-N -1 1 278.327 3.314 20 0 CGADMM C[C@H](c1ccccc1)n1[n-]c(-c2ccc(N)cc2)cc1=O ZINC001245936236 804067616 /nfs/dbraw/zinc/06/76/16/804067616.db2.gz IFSJTDMPNKINIE-GFCCVEGCSA-N -1 1 279.343 3.447 20 0 CGADMM C[C@@H](n1[n-]c(-c2ccc(N(C)C)cc2)cc1=O)C(F)(F)F ZINC001245944148 804077079 /nfs/dbraw/zinc/07/70/79/804077079.db2.gz NSYNGIRVDQXPIJ-SECBINFHSA-N -1 1 299.296 3.445 20 0 CGADMM CC1CCC(C)(CNC(=O)c2ccc(F)c([O-])c2)CC1 ZINC001139967439 804336916 /nfs/dbraw/zinc/33/69/16/804336916.db2.gz PZPVUAKTQOZPBS-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM Cc1[nH]c(CN(C)Cc2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC001140493831 804447187 /nfs/dbraw/zinc/44/71/87/804447187.db2.gz LYBPLVFNFJPXPV-UHFFFAOYSA-N -1 1 290.338 3.101 20 0 CGADMM COC[C@@H]1CCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140835110 804531970 /nfs/dbraw/zinc/53/19/70/804531970.db2.gz LZFSTXYUPBPDAK-SECBINFHSA-N -1 1 290.190 3.167 20 0 CGADMM [O-]c1ccc(CN2CCC[C@@H](C(F)(F)F)C2)c(F)c1F ZINC001140890766 804543018 /nfs/dbraw/zinc/54/30/18/804543018.db2.gz LCWLHWLRYNEKQL-SECBINFHSA-N -1 1 295.251 3.445 20 0 CGADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)c(F)c1F ZINC001165750917 807018034 /nfs/dbraw/zinc/01/80/34/807018034.db2.gz FBSHJPWJGRLASM-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CCOc1ccccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001141287392 804628170 /nfs/dbraw/zinc/62/81/70/804628170.db2.gz UTEPLMKXEUUDTK-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM COc1cc(F)c(F)cc1NC(=O)c1ccc(F)c([O-])c1 ZINC001141793287 804669770 /nfs/dbraw/zinc/66/97/70/804669770.db2.gz LJYUFPMOEJQVQS-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001141926695 804679347 /nfs/dbraw/zinc/67/93/47/804679347.db2.gz SCZSRLJYZQWKIF-WDEREUQCSA-N -1 1 287.281 3.185 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccc(F)cc1F ZINC001142537680 804733419 /nfs/dbraw/zinc/73/34/19/804733419.db2.gz QFPLJQGIZPJXBR-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM Cc1nc(SC[C@H]2CCC3(CCC3)CO2)[n-]c(=O)c1C ZINC001165917306 807026985 /nfs/dbraw/zinc/02/69/85/807026985.db2.gz JYVWKNZUSRJZOT-GFCCVEGCSA-N -1 1 294.420 3.240 20 0 CGADMM O=c1ccn(-c2ccc(Nc3cc4cccnc4[nH]3)cc2)[n-]1 ZINC001248730925 804979910 /nfs/dbraw/zinc/97/99/10/804979910.db2.gz FMZDXBUVPGOSNC-UHFFFAOYSA-N -1 1 291.314 3.198 20 0 CGADMM O=C(N[C@@H]1CC12CCC2)c1ccc(C(F)(F)F)cc1[O-] ZINC001148806570 805211275 /nfs/dbraw/zinc/21/12/75/805211275.db2.gz YGUQPNDGURDQIK-LLVKDONJSA-N -1 1 285.265 3.083 20 0 CGADMM O=C(N[C@@H]1CC=CCC1)c1cc2cccc(O)c2cc1[O-] ZINC001149656643 805241084 /nfs/dbraw/zinc/24/10/84/805241084.db2.gz MCLMLNLIRXREHN-GFCCVEGCSA-N -1 1 283.327 3.090 20 0 CGADMM COc1ccccc1C(=O)Cc1c(F)cc([O-])cc1F ZINC001249887155 805279864 /nfs/dbraw/zinc/27/98/64/805279864.db2.gz BOKUEBBKKUQUQL-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM Cn1c2ccccc2nc1Nc1cc([O-])c(F)c(F)c1F ZINC001249958689 805324359 /nfs/dbraw/zinc/32/43/59/805324359.db2.gz PVPAKLBRSMVKGN-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM [O-]c1cc(Nc2ccc(F)cn2)c(F)c(F)c1F ZINC001249958399 805324672 /nfs/dbraw/zinc/32/46/72/805324672.db2.gz MUBFNWZMGXAPBG-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM [O-]c1cc(Nc2cnc(F)c(F)c2)c(F)c(F)c1F ZINC001249961117 805329833 /nfs/dbraw/zinc/32/98/33/805329833.db2.gz GMBUCGDTBLZGNQ-UHFFFAOYSA-N -1 1 276.164 3.226 20 0 CGADMM COc1ccc(CO)c(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249965927 805333399 /nfs/dbraw/zinc/33/33/99/805333399.db2.gz SKRMSGXWTZNCEU-UHFFFAOYSA-N -1 1 299.248 3.054 20 0 CGADMM Cc1cnc(Nc2cc(Cl)c([O-])cc2F)cn1 ZINC001250018157 805369360 /nfs/dbraw/zinc/36/93/60/805369360.db2.gz OIFKPYNZQYSQLL-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM Cc1nnc2ccc(Nc3cc(Cl)c([O-])cc3F)cn12 ZINC001250023087 805373212 /nfs/dbraw/zinc/37/32/12/805373212.db2.gz BWGBEUKYRPAJFS-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM Cc1cc(NC(=O)Cc2ccc([O-])c(Cl)c2)cnc1C ZINC001153427484 805395678 /nfs/dbraw/zinc/39/56/78/805395678.db2.gz DYKHKBAXSAZSJH-UHFFFAOYSA-N -1 1 290.750 3.239 20 0 CGADMM O=C(NCc1ccncc1F)c1c([O-])ccc2ccccc21 ZINC001153503816 805400305 /nfs/dbraw/zinc/40/03/05/805400305.db2.gz GZUYIJGLQCMONY-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=C(Nc1ccccc1CO)c1c([O-])ccc2ccccc21 ZINC001153506541 805400498 /nfs/dbraw/zinc/40/04/98/805400498.db2.gz WKQRLTYOVDUHRJ-UHFFFAOYSA-N -1 1 293.322 3.290 20 0 CGADMM O=C(Nc1cccnc1F)c1c([O-])ccc2ccccc21 ZINC001153498441 805400575 /nfs/dbraw/zinc/40/05/75/805400575.db2.gz RERZTXJNDHUZAA-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(NCCC1CC=CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001154452620 805456331 /nfs/dbraw/zinc/45/63/31/805456331.db2.gz HMTOUIQYJATYLQ-UHFFFAOYSA-N -1 1 299.292 3.497 20 0 CGADMM [O-]c1ccc(F)c(Nc2cncc(Cl)n2)c1Cl ZINC001250227906 805504761 /nfs/dbraw/zinc/50/47/61/805504761.db2.gz BUPHSOZSMKFTBF-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM Cn1ncc(Cl)c1Nc1c(F)ccc([O-])c1Cl ZINC001250229846 805506614 /nfs/dbraw/zinc/50/66/14/805506614.db2.gz POFKPIPGFQVHEB-UHFFFAOYSA-N -1 1 276.098 3.315 20 0 CGADMM NC(=O)c1ccccc1Nc1c(F)ccc([O-])c1Cl ZINC001250232746 805507966 /nfs/dbraw/zinc/50/79/66/805507966.db2.gz BEYPVYQFZMIDNP-UHFFFAOYSA-N -1 1 280.686 3.027 20 0 CGADMM C[C@@H]1CCCC[C@@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001165807535 807020219 /nfs/dbraw/zinc/02/02/19/807020219.db2.gz NFXGZHUYZAOSJP-MFKMUULPSA-N -1 1 251.301 3.062 20 0 CGADMM [O-]c1ccc(F)cc1-c1nnc(CC2CCCC2)o1 ZINC001258685131 807541678 /nfs/dbraw/zinc/54/16/78/807541678.db2.gz CEWOLFBRMSAIPN-UHFFFAOYSA-N -1 1 262.284 3.314 20 0 CGADMM C=Cc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC001259188824 807676119 /nfs/dbraw/zinc/67/61/19/807676119.db2.gz PQTBYIXVAHHDTO-UHFFFAOYSA-N -1 1 289.356 3.139 20 0 CGADMM Cc1csc([N-]S(=O)(=O)CCc2ccccc2)c1 ZINC001259732620 807683325 /nfs/dbraw/zinc/68/33/25/807683325.db2.gz CBQXCROGINCBBN-UHFFFAOYSA-N -1 1 281.402 3.041 20 0 CGADMM Cc1csc([N-]S(=O)(=O)C2CCCCC2)c1 ZINC001259809351 807688221 /nfs/dbraw/zinc/68/82/21/807688221.db2.gz YEDBUMJHNPIYBD-UHFFFAOYSA-N -1 1 259.396 3.131 20 0 CGADMM CC[C@H]([N-]S(=O)(=O)C(F)F)c1cccc2ccccc21 ZINC001259961366 807695004 /nfs/dbraw/zinc/69/50/04/807695004.db2.gz GYCGTOPBKBAJMV-ZDUSSCGKSA-N -1 1 299.342 3.433 20 0 CGADMM Cc1ccc2ccc(Nc3[n-]c(=O)nc4nc[nH]c43)cc2c1 ZINC001170228583 807797913 /nfs/dbraw/zinc/79/79/13/807797913.db2.gz HVNYRUPBOZIJBY-UHFFFAOYSA-N -1 1 291.314 3.264 20 0 CGADMM COc1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001173804017 808678494 /nfs/dbraw/zinc/67/84/94/808678494.db2.gz CMLVSOWTTKLKLT-UHFFFAOYSA-N -1 1 250.685 3.193 20 0 CGADMM COc1ccc(Nc2ccnc(Cl)c2[O-])c(OC)c1 ZINC001173890421 808745253 /nfs/dbraw/zinc/74/52/53/808745253.db2.gz INAPFCBJRWKVGE-UHFFFAOYSA-N -1 1 280.711 3.201 20 0 CGADMM CC(=O)Nc1ccccc1Nc1cc(F)c([O-])cc1F ZINC001173995243 808810319 /nfs/dbraw/zinc/81/03/19/808810319.db2.gz SKFMRYKCKKULKU-UHFFFAOYSA-N -1 1 278.258 3.372 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cnc2ccccc2c1 ZINC001174000825 808814328 /nfs/dbraw/zinc/81/43/28/808814328.db2.gz KZALRKAOIKYSAL-UHFFFAOYSA-N -1 1 299.315 3.161 20 0 CGADMM O=c1ccn(-c2ccc(Nc3ccc4c(c3)CCO4)cc2)[n-]1 ZINC001174013230 808822247 /nfs/dbraw/zinc/82/22/47/808822247.db2.gz BLTXTTYAYRCBMD-UHFFFAOYSA-N -1 1 293.326 3.256 20 0 CGADMM COCc1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001174096264 808862259 /nfs/dbraw/zinc/86/22/59/808862259.db2.gz NJMASCZJFVEQFG-UHFFFAOYSA-N -1 1 295.342 3.468 20 0 CGADMM COc1ccc(F)c(Nc2ccnc(Cl)c2[O-])c1 ZINC001174211433 808902225 /nfs/dbraw/zinc/90/22/25/808902225.db2.gz WUDBWVALMLLQKJ-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM [O-]c1cc(Nc2ccnc3[nH]ccc32)cc(F)c1F ZINC001174414638 809009238 /nfs/dbraw/zinc/00/92/38/809009238.db2.gz ZEGCIZONIWDSBV-UHFFFAOYSA-N -1 1 261.231 3.242 20 0 CGADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccsc2C)c1 ZINC001174460002 809022177 /nfs/dbraw/zinc/02/21/77/809022177.db2.gz QOGYIUKEKJTJMO-UHFFFAOYSA-N -1 1 297.401 3.299 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1cc(F)ccc1O ZINC001174626147 809108224 /nfs/dbraw/zinc/10/82/24/809108224.db2.gz PWWISKNNGGFCFE-UHFFFAOYSA-N -1 1 287.246 3.087 20 0 CGADMM CN(C)c1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001174966496 809220028 /nfs/dbraw/zinc/22/00/28/809220028.db2.gz DNGKMOSBAKNCIL-UHFFFAOYSA-N -1 1 264.275 3.480 20 0 CGADMM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(F)c([O-])c1 ZINC001290498545 809408675 /nfs/dbraw/zinc/40/86/75/809408675.db2.gz RCLAOOJYNVQRNJ-SNVBAGLBSA-N -1 1 271.291 3.123 20 0 CGADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc(F)ccc1[O-] ZINC001293449494 809448544 /nfs/dbraw/zinc/44/85/44/809448544.db2.gz QIZQDKLKIJKNPR-NQBHXWOUSA-N -1 1 277.339 3.230 20 0 CGADMM CN1CCC=C(Nc2cc(Cl)ccc2[S-])C1 ZINC001175576251 809457677 /nfs/dbraw/zinc/45/76/77/809457677.db2.gz HVJAAPFZBSAPCV-UHFFFAOYSA-N -1 1 254.786 3.260 20 0 CGADMM CC1(CCC(=O)Nc2nc(Br)ccc2[O-])CC1 ZINC001296612267 809506548 /nfs/dbraw/zinc/50/65/48/809506548.db2.gz DLVYLXASUTWOOB-UHFFFAOYSA-N -1 1 299.168 3.069 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cc3ccccn3n2)c1 ZINC001297724340 809522234 /nfs/dbraw/zinc/52/22/34/809522234.db2.gz LTJNROPJGWNAOE-UHFFFAOYSA-N -1 1 299.355 3.014 20 0 CGADMM C[C@@H](CC(=O)Nc1ccc([O-])c(F)c1F)c1ccncc1 ZINC001297821415 809524110 /nfs/dbraw/zinc/52/41/10/809524110.db2.gz RFFZOWANMDLXKU-VIFPVBQESA-N -1 1 292.285 3.198 20 0 CGADMM CCC1(NC(=O)c2ncc3ccccc3c2[O-])CCCC1 ZINC001298190964 809529103 /nfs/dbraw/zinc/52/91/03/809529103.db2.gz CFUDRYXRALXMAS-UHFFFAOYSA-N -1 1 284.359 3.393 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c([O-])c1 ZINC001299059598 809544024 /nfs/dbraw/zinc/54/40/24/809544024.db2.gz CXXMZCKJLWWKGT-JTQLQIEISA-N -1 1 290.750 3.240 20 0 CGADMM CCCn1nc(C)cc1Nc1ccc(F)c(F)c1[O-] ZINC001175805817 809549284 /nfs/dbraw/zinc/54/92/84/809549284.db2.gz OCIIYADNULUYBC-UHFFFAOYSA-N -1 1 267.279 3.329 20 0 CGADMM O=C(CCOc1ccc(F)cc1)Nc1cccc(F)c1[O-] ZINC001302486589 809595166 /nfs/dbraw/zinc/59/51/66/809595166.db2.gz QSKIBYDIOHXXDM-UHFFFAOYSA-N -1 1 293.269 3.078 20 0 CGADMM CCc1ccc(F)cc1C(=O)Nc1cccc(F)c1[O-] ZINC001302484945 809595224 /nfs/dbraw/zinc/59/52/24/809595224.db2.gz GFQFSUHTFZQTKN-UHFFFAOYSA-N -1 1 277.270 3.485 20 0 CGADMM Nc1c(Cl)cccc1C(=O)Nc1cccc(F)c1[O-] ZINC001302487773 809595956 /nfs/dbraw/zinc/59/59/56/809595956.db2.gz XZMQDDHNEIRZBC-UHFFFAOYSA-N -1 1 280.686 3.019 20 0 CGADMM CCC[C@@H](C)CCNC(=O)c1cccc([O-])c1F ZINC001303149057 809605593 /nfs/dbraw/zinc/60/55/93/809605593.db2.gz OIRRGQDMJUWVIC-SNVBAGLBSA-N -1 1 253.317 3.087 20 0 CGADMM [O-]c1cc(F)cnc1Nc1c(F)cc(F)c(F)c1F ZINC001176349506 809675131 /nfs/dbraw/zinc/67/51/31/809675131.db2.gz IQRFFURVPNGNCB-UHFFFAOYSA-N -1 1 276.164 3.226 20 0 CGADMM CC(C)(C)Oc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1 ZINC001176641335 809736423 /nfs/dbraw/zinc/73/64/23/809736423.db2.gz URGKYRROWAGMBI-UHFFFAOYSA-N -1 1 297.358 3.491 20 0 CGADMM COc1ncc(Nc2c(F)cc(F)c([O-])c2F)cc1C ZINC001176664410 809738166 /nfs/dbraw/zinc/73/81/66/809738166.db2.gz YDQAOEYTCMZIEJ-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cc(Cl)ncc2O)c1F ZINC001176664716 809738404 /nfs/dbraw/zinc/73/84/04/809738404.db2.gz YLSCMZIZKQPFIP-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM Cc1cnn(CC2CC2)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663843 809738732 /nfs/dbraw/zinc/73/87/32/809738732.db2.gz NITRTROLOZFOPB-UHFFFAOYSA-N -1 1 297.280 3.468 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccnn2CC2CC2)c1F ZINC001176663616 809738886 /nfs/dbraw/zinc/73/88/86/809738886.db2.gz GKMCTMSTLSTBGI-UHFFFAOYSA-N -1 1 283.253 3.160 20 0 CGADMM C[C@@H](O)c1ccnc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176669976 809739679 /nfs/dbraw/zinc/73/96/79/809739679.db2.gz PWZLRCNZLGIMNG-ZCFIWIBFSA-N -1 1 284.237 3.001 20 0 CGADMM COc1ccc(N)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672155 809740178 /nfs/dbraw/zinc/74/01/78/809740178.db2.gz FTZAQHWRBWIRGC-UHFFFAOYSA-N -1 1 284.237 3.144 20 0 CGADMM Cn1cnc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc21 ZINC001176673680 809740945 /nfs/dbraw/zinc/74/09/45/809740945.db2.gz WBARRCNSZWCCFU-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM C[C@H]1CCCC[C@@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178784682 809888089 /nfs/dbraw/zinc/88/80/89/809888089.db2.gz BMUMIAGOMVGESF-JQWIXIFHSA-N -1 1 297.345 3.155 20 0 CGADMM O=c1ccc2cc(Nc3ccnc(Cl)c3[O-])ccc2[nH]1 ZINC001213771986 815330279 /nfs/dbraw/zinc/33/02/79/815330279.db2.gz ONANHBQDOTWMSP-UHFFFAOYSA-N -1 1 287.706 3.026 20 0 CGADMM CC(C)COCC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001180753020 810021268 /nfs/dbraw/zinc/02/12/68/810021268.db2.gz ARUGDUUWZJTAMN-UHFFFAOYSA-N -1 1 291.269 3.022 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cnccc1C1CC1 ZINC001213872927 815342036 /nfs/dbraw/zinc/34/20/36/815342036.db2.gz IXKHBERUTWMENY-UHFFFAOYSA-N -1 1 261.712 3.457 20 0 CGADMM C[C@@H]1CCC[C@@H](C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC001184504353 810204616 /nfs/dbraw/zinc/20/46/16/810204616.db2.gz UVNSSWNLXZZKGI-CHWSQXEVSA-N -1 1 299.374 3.343 20 0 CGADMM Cc1c(C)c([N-]S(=O)(=O)c2ccsc2)ccc1F ZINC001185390099 810260616 /nfs/dbraw/zinc/26/06/16/810260616.db2.gz BUVXIKFBQSFACM-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM Cc1csc(NC(=O)c2ccc([O-])cc2F)c1 ZINC001186319743 810327644 /nfs/dbraw/zinc/32/76/44/810327644.db2.gz ZQAGEJAKMGFLEQ-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM O=C(Nc1cnc2ccc(O)cc2c1)c1ccc([O-])cc1F ZINC001186318266 810327693 /nfs/dbraw/zinc/32/76/93/810327693.db2.gz FMQMPHXKKBBGRL-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM C=Cc1ccc(CNC(=O)c2ccc([O-])cc2F)cc1 ZINC001186337193 810329182 /nfs/dbraw/zinc/32/91/82/810329182.db2.gz DXMDPULBDLHDHK-UHFFFAOYSA-N -1 1 271.291 3.104 20 0 CGADMM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)C1CCC1 ZINC001188105314 810454042 /nfs/dbraw/zinc/45/40/42/810454042.db2.gz ZKCOVUXZETWTPI-UHFFFAOYSA-N -1 1 288.372 3.043 20 0 CGADMM O=S(=O)([N-]c1cc(F)ccc1C(F)(F)F)C1CCC1 ZINC001188137404 810455745 /nfs/dbraw/zinc/45/57/45/810455745.db2.gz CHEDHFDDXXRFSV-UHFFFAOYSA-N -1 1 297.273 3.139 20 0 CGADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1F)c1ccoc1 ZINC001188609933 810492910 /nfs/dbraw/zinc/49/29/10/810492910.db2.gz DNBAJSBNHQQXTA-UHFFFAOYSA-N -1 1 293.678 3.012 20 0 CGADMM C[C@@H](NC(=O)c1ccncc1[O-])c1cccc(Cl)c1F ZINC001188637040 810496835 /nfs/dbraw/zinc/49/68/35/810496835.db2.gz LZHLUCKUXVKYCL-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM O=C(Nc1ccccn1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001191345354 810704256 /nfs/dbraw/zinc/70/42/56/810704256.db2.gz MJTVMYOIRPHXLC-UHFFFAOYSA-N -1 1 297.236 3.450 20 0 CGADMM Cc1csc(NC(=O)c2cc([O-])cc(F)c2F)c1 ZINC001192651749 810813555 /nfs/dbraw/zinc/81/35/55/810813555.db2.gz LMWTZCNYIKPFDY-UHFFFAOYSA-N -1 1 269.272 3.293 20 0 CGADMM CCCOc1ccccc1[N-]S(=O)(=O)CC1CCC1 ZINC001193515388 810902112 /nfs/dbraw/zinc/90/21/12/810902112.db2.gz NLINLYNNMUGTGO-UHFFFAOYSA-N -1 1 283.393 3.017 20 0 CGADMM Cc1nccnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214479879 815415032 /nfs/dbraw/zinc/41/50/32/815415032.db2.gz HYIRMJBNNYEUBT-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM [O-]c1c(F)cc(Nc2cc(F)ccn2)cc1Cl ZINC001214480466 815415368 /nfs/dbraw/zinc/41/53/68/815415368.db2.gz RHLBFPJRGHWASG-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM [O-]c1c(F)cc(Nc2cnc(Cl)cn2)cc1Cl ZINC001214480502 815415512 /nfs/dbraw/zinc/41/55/12/815415512.db2.gz SYFZEBHAXJMIPG-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM Cc1cnn(C2COC2)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214486311 815416254 /nfs/dbraw/zinc/41/62/54/815416254.db2.gz ANJDWMUIUSGTQW-UHFFFAOYSA-N -1 1 297.717 3.005 20 0 CGADMM CCc1nccnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482756 815416448 /nfs/dbraw/zinc/41/64/48/815416448.db2.gz MBPJRAQQTVJENZ-UHFFFAOYSA-N -1 1 267.691 3.281 20 0 CGADMM O=c1[nH]ncc(Nc2cc(F)c([O-])c(Cl)c2)c1Cl ZINC001214482757 815416591 /nfs/dbraw/zinc/41/65/91/815416591.db2.gz MBVBVYCRUVXYPB-UHFFFAOYSA-N -1 1 290.081 3.077 20 0 CGADMM COc1cncc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214482681 815416679 /nfs/dbraw/zinc/41/66/79/815416679.db2.gz ILRLKUVUICLBNN-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM CC(C)(C)COC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001194355219 811058787 /nfs/dbraw/zinc/05/87/87/811058787.db2.gz GXJZNKDCCZQZIC-UHFFFAOYSA-N -1 1 289.335 3.173 20 0 CGADMM Cc1ccc(OC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC001194460086 811078551 /nfs/dbraw/zinc/07/85/51/811078551.db2.gz ZVTGKRLYDDZLIO-UHFFFAOYSA-N -1 1 261.252 3.451 20 0 CGADMM CC[C@H](C)COC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001194807201 811141539 /nfs/dbraw/zinc/14/15/39/811141539.db2.gz POEFNNKYODQBGZ-ZETCQYMHSA-N -1 1 259.252 3.265 20 0 CGADMM COC(=O)c1cccc(Nc2ccc(F)c(F)c2[O-])c1F ZINC001214582975 815427380 /nfs/dbraw/zinc/42/73/80/815427380.db2.gz IDXPTFROPYNDFR-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM COc1ccc(C)c(F)c1Nc1cc(=O)[n-]c(SC)n1 ZINC001214624823 815434025 /nfs/dbraw/zinc/43/40/25/815434025.db2.gz ITVXYKNUWITJAG-UHFFFAOYSA-N -1 1 295.339 3.104 20 0 CGADMM [O-]c1cnc(Cl)cc1NC(=S)Nc1ccccc1F ZINC001195745119 811285451 /nfs/dbraw/zinc/28/54/51/811285451.db2.gz KOBSMGBNFAHZEM-UHFFFAOYSA-N -1 1 297.742 3.389 20 0 CGADMM [O-]c1cnc(Cl)cc1NC(=S)Nc1ccc(F)cc1 ZINC001196916726 811382219 /nfs/dbraw/zinc/38/22/19/811382219.db2.gz XPFMFHRXYGQWKX-UHFFFAOYSA-N -1 1 297.742 3.389 20 0 CGADMM [O-]c1cc(F)ccc1NC(=S)Nc1cccc(F)c1 ZINC001197638744 811440542 /nfs/dbraw/zinc/44/05/42/811440542.db2.gz ULGQCXQJLIAEFI-UHFFFAOYSA-N -1 1 280.299 3.479 20 0 CGADMM Cc1cc(CO)cc(C)c1Nc1ccnc(Cl)c1[O-] ZINC001214951884 815468699 /nfs/dbraw/zinc/46/86/99/815468699.db2.gz KTHZMGZXAGJFHV-UHFFFAOYSA-N -1 1 278.739 3.293 20 0 CGADMM [O-]c1cc(NC(=S)Nc2ccccc2)c(F)cc1F ZINC001200839109 811752573 /nfs/dbraw/zinc/75/25/73/811752573.db2.gz WASMJBPFQYKEJA-UHFFFAOYSA-N -1 1 280.299 3.479 20 0 CGADMM CCCCCCNC(=S)Nc1cc(Cl)ncc1[O-] ZINC001200944944 811770606 /nfs/dbraw/zinc/77/06/06/811770606.db2.gz TZJXKGYFHHCBBU-UHFFFAOYSA-N -1 1 287.816 3.307 20 0 CGADMM COc1ccccc1NC(=O)Nc1ccc(F)cc1[O-] ZINC001202124849 812020760 /nfs/dbraw/zinc/02/07/60/812020760.db2.gz MCMGKXLFMIPERE-UHFFFAOYSA-N -1 1 276.267 3.184 20 0 CGADMM Cc1cncc(-c2noc(-c3ccc([O-])cc3Cl)n2)c1 ZINC001215345723 815508203 /nfs/dbraw/zinc/50/82/03/815508203.db2.gz GJFIYCLHSAMTAM-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM [O-]c1cc(O)ccc1-c1nc(-c2cc(F)ccc2F)no1 ZINC001215299962 815504016 /nfs/dbraw/zinc/50/40/16/815504016.db2.gz JVDUQYIIBWUNDK-UHFFFAOYSA-N -1 1 290.225 3.093 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc(F)c2n[nH]cc21 ZINC001215373492 815510863 /nfs/dbraw/zinc/51/08/63/815510863.db2.gz OCBMDFCWNSSETA-UHFFFAOYSA-N -1 1 278.674 3.200 20 0 CGADMM Cc1cc(O)cc(Nc2cc(F)c([O-])cc2F)c1 ZINC001215517990 815527907 /nfs/dbraw/zinc/52/79/07/815527907.db2.gz SYASLRFAUZZTQN-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM COc1cc(F)c([N-]c2noc(C(C)(C)C)n2)cc1OC ZINC001215716574 815564269 /nfs/dbraw/zinc/56/42/69/815564269.db2.gz IGTPLNPITSLAGY-UHFFFAOYSA-N -1 1 295.314 3.267 20 0 CGADMM COc1cncc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1C ZINC001215735925 815568985 /nfs/dbraw/zinc/56/89/85/815568985.db2.gz KLZLVDDOANYNOE-UHFFFAOYSA-N -1 1 296.330 3.034 20 0 CGADMM Cn1ccc2cc(Nc3ccnc(Cl)c3[O-])cnc21 ZINC001205705274 813056519 /nfs/dbraw/zinc/05/65/19/813056519.db2.gz BVBRRPMVUASDKP-UHFFFAOYSA-N -1 1 274.711 3.071 20 0 CGADMM C[C@@H](O)c1cc(NCc2ccc([O-])c(F)c2F)ccc1F ZINC001205734405 813064053 /nfs/dbraw/zinc/06/40/53/813064053.db2.gz BJFCSJFFBTZDIG-MRVPVSSYSA-N -1 1 297.276 3.475 20 0 CGADMM Cc1ccc(-c2cc([N-]c3cnn4cccnc34)on2)cc1 ZINC001205945724 813143338 /nfs/dbraw/zinc/14/33/38/813143338.db2.gz HLIXTNGYIPNIBZ-UHFFFAOYSA-N -1 1 291.314 3.436 20 0 CGADMM COc1cc(SC)c(Nc2ccnc(Cl)c2[O-])cn1 ZINC001215810693 815603333 /nfs/dbraw/zinc/60/33/33/815603333.db2.gz GOEAEKNSSZELAR-UHFFFAOYSA-N -1 1 297.767 3.310 20 0 CGADMM Cc1cc(Nc2cc([O-])c(F)c(F)c2)ccc1O ZINC001209976791 814227458 /nfs/dbraw/zinc/22/74/58/814227458.db2.gz QGOBNGROKJBLMS-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM [O-]c1cc(Nc2ccc(F)cc2O)cc(F)c1F ZINC001210016099 814245611 /nfs/dbraw/zinc/24/56/11/814245611.db2.gz CTMKABVVVIWPHH-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(F)cc2O)cc1F ZINC001210019789 814247846 /nfs/dbraw/zinc/24/78/46/814247846.db2.gz VDBIUKKKUZZIRF-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM CC(=O)c1ccc(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001210277013 814375873 /nfs/dbraw/zinc/37/58/73/814375873.db2.gz SVEWKQUMTWIBKU-UHFFFAOYSA-N -1 1 264.231 3.012 20 0 CGADMM COc1ccc(-c2noc(-c3ccc(F)c([O-])c3)n2)cc1 ZINC001215842130 815612204 /nfs/dbraw/zinc/61/22/04/815612204.db2.gz BWXQKRLOMVSRHJ-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM CC(C)Oc1ccnc(-c2cccc([O-])c2Cl)n1 ZINC001242796811 823135395 /nfs/dbraw/zinc/13/53/95/823135395.db2.gz ALWIUGOWNBXVHT-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM Nc1cccc(C(=S)Nc2cccc([O-])c2Cl)c1 ZINC001210860559 814655348 /nfs/dbraw/zinc/65/53/48/814655348.db2.gz YBEAMWNBMVOXLT-UHFFFAOYSA-N -1 1 278.764 3.415 20 0 CGADMM [O-]c1cccc(-c2cc3nccnc3cn2)c1Cl ZINC001242798705 823135848 /nfs/dbraw/zinc/13/58/48/823135848.db2.gz WFFBNJYRCBQFMD-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM Cn1cc(Nc2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001210923035 814676726 /nfs/dbraw/zinc/67/67/26/814676726.db2.gz JIWBQBGSZUJRJC-UHFFFAOYSA-N -1 1 258.108 3.176 20 0 CGADMM CCOC(=O)Cc1cccnc1-c1cccc([O-])c1Cl ZINC001242797317 823135161 /nfs/dbraw/zinc/13/51/61/823135161.db2.gz AAEUPZXFNBHYDH-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM Fc1nc(F)c(Cl)c([N-]c2nccs2)c1F ZINC001210989478 814700047 /nfs/dbraw/zinc/70/00/47/814700047.db2.gz IRPQCRMKDYWGOH-UHFFFAOYSA-N -1 1 265.647 3.352 20 0 CGADMM [O-]c1cccc(-c2cncc3cc(CO)oc32)c1Cl ZINC001242799738 823136234 /nfs/dbraw/zinc/13/62/34/823136234.db2.gz ZUEORJIIBGEPCM-UHFFFAOYSA-N -1 1 275.691 3.346 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cnn2ccccc12 ZINC001211098816 814745069 /nfs/dbraw/zinc/74/50/69/814745069.db2.gz LFLIZYRRNPHTKV-UHFFFAOYSA-N -1 1 261.231 3.062 20 0 CGADMM CN1C(=O)NCc2cc(-c3cccc([O-])c3Cl)ccc21 ZINC001242801918 823137283 /nfs/dbraw/zinc/13/72/83/823137283.db2.gz GNIAUZYNAUFNPI-UHFFFAOYSA-N -1 1 288.734 3.372 20 0 CGADMM Cc1ccc(-c2cccc([O-])c2Cl)cc1S(C)(=O)=O ZINC001242801180 823137446 /nfs/dbraw/zinc/13/74/46/823137446.db2.gz YTASEQHZZXNNBE-UHFFFAOYSA-N -1 1 296.775 3.425 20 0 CGADMM Cc1nc2[nH]ccc2nc1-c1cccc([O-])c1Cl ZINC001242801365 823137451 /nfs/dbraw/zinc/13/74/51/823137451.db2.gz YUZVZDFFXCLPSF-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM C[C@@H]1C(=O)Nc2ccc(-c3cc(F)c([O-])cc3F)cc21 ZINC001211340889 814882096 /nfs/dbraw/zinc/88/20/96/814882096.db2.gz ZNKNMIRIESEJDC-ZETCQYMHSA-N -1 1 275.254 3.393 20 0 CGADMM [O-]c1cc(F)c(-c2cnc(N3CCCCC3)nc2)cc1F ZINC001211349875 814883146 /nfs/dbraw/zinc/88/31/46/814883146.db2.gz KGVAEWUIJBMLRL-UHFFFAOYSA-N -1 1 291.301 3.118 20 0 CGADMM Cn1c(=O)ccc2cc(-c3cc(F)c([O-])cc3F)ccc21 ZINC001211350854 814883686 /nfs/dbraw/zinc/88/36/86/814883686.db2.gz VVVBTDNZDYYAOV-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM CCOc1ccc(-c2cc(F)c([O-])cc2F)c(C)n1 ZINC001211353058 814884828 /nfs/dbraw/zinc/88/48/28/814884828.db2.gz ROMSAVVUMHFTMZ-UHFFFAOYSA-N -1 1 265.259 3.440 20 0 CGADMM Nc1noc2cc(-c3cc(F)c([O-])cc3F)ccc12 ZINC001211359766 814886474 /nfs/dbraw/zinc/88/64/74/814886474.db2.gz LDDIBMPMFCHZFY-UHFFFAOYSA-N -1 1 262.215 3.061 20 0 CGADMM COC(=O)c1cncc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001211460352 814894479 /nfs/dbraw/zinc/89/44/79/814894479.db2.gz HBNUXGAIFSICRL-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM Cc1cc(C)nc(Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001211592323 814913995 /nfs/dbraw/zinc/91/39/95/814913995.db2.gz UBJUQEKBSQYQET-UHFFFAOYSA-N -1 1 256.305 3.449 20 0 CGADMM [O-]c1cccc(-c2nc(-c3ccccc3)no2)c1F ZINC001215984019 815651074 /nfs/dbraw/zinc/65/10/74/815651074.db2.gz GMLGZXIEVXUKIH-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM Cc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc(O)c1F ZINC001216082979 815687061 /nfs/dbraw/zinc/68/70/61/815687061.db2.gz IUVILMYPOXTTCP-UHFFFAOYSA-N -1 1 299.305 3.475 20 0 CGADMM CSc1nc(Nc2cc(C)cc(Cl)c2N)cc(=O)[n-]1 ZINC001216091352 815689045 /nfs/dbraw/zinc/68/90/45/815689045.db2.gz IMHMAGRICNNBKW-UHFFFAOYSA-N -1 1 296.783 3.192 20 0 CGADMM O=C([O-])c1cc(Nc2ccncc2)c(Cl)cc1Cl ZINC001216358506 815799106 /nfs/dbraw/zinc/79/91/06/815799106.db2.gz WCIVPDNWDIDKFN-UHFFFAOYSA-N -1 1 283.114 3.252 20 0 CGADMM CN1CCc2c(F)cc(-c3ccccc3C(=O)[O-])cc2C1 ZINC001242881545 823163784 /nfs/dbraw/zinc/16/37/84/823163784.db2.gz KCIOXJGGAUNCNA-UHFFFAOYSA-N -1 1 285.318 3.179 20 0 CGADMM Nc1cccc(NC(=O)c2c(O)cc3ccccc3c2[O-])c1 ZINC001218828872 816253997 /nfs/dbraw/zinc/25/39/97/816253997.db2.gz OEUQTLKLDBMHHB-UHFFFAOYSA-N -1 1 294.310 3.086 20 0 CGADMM CCc1nc(OC)ccc1-c1cc(F)c([O-])cc1F ZINC001222083155 816342989 /nfs/dbraw/zinc/34/29/89/816342989.db2.gz QINFCCMGZZNRET-UHFFFAOYSA-N -1 1 265.259 3.303 20 0 CGADMM O=c1cc(-c2cc(F)c([O-])cc2F)ccn1-c1ccccc1 ZINC001222082845 816343373 /nfs/dbraw/zinc/34/33/73/816343373.db2.gz JJKIOSJDWHFHQL-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM [O-]c1cc(-c2nncc3ccc(F)cc32)ccc1F ZINC001243054807 823229721 /nfs/dbraw/zinc/22/97/21/823229721.db2.gz UGSWHMSIFLMPGQ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CC[C@H](C)C[C@H](CC)OCCCC[P@](=O)([O-])O ZINC001225022023 816933897 /nfs/dbraw/zinc/93/38/97/816933897.db2.gz LOEBVIMTMGMAMV-RYUDHWBXSA-N -1 1 266.318 3.176 20 0 CGADMM O=[P@]([O-])(O)CCCCO[C@H]1CCCc2ccccc21 ZINC001225019844 816934999 /nfs/dbraw/zinc/93/49/99/816934999.db2.gz BBQCGGLCMIYWMP-AWEZNQCLSA-N -1 1 284.292 3.039 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)c1cccnc1F ZINC001225617942 817114260 /nfs/dbraw/zinc/11/42/60/817114260.db2.gz AVYIKGNXZJAENE-JTQLQIEISA-N -1 1 275.279 3.269 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](c1cccnc1)C1CC1 ZINC001225678447 817137969 /nfs/dbraw/zinc/13/79/69/817137969.db2.gz HVADVDCNPBYVLX-QGZVFWFLSA-N -1 1 299.326 3.226 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCCC[C@H]1C ZINC001225680430 817139701 /nfs/dbraw/zinc/13/97/01/817139701.db2.gz ZVHUGONCMLUGQW-NOZJJQNGSA-N -1 1 264.321 3.258 20 0 CGADMM O=c1cc(O[C@H]2Cc3cccc4cccc2c34)[nH]c(=S)[n-]1 ZINC001225766720 817171391 /nfs/dbraw/zinc/17/13/91/817171391.db2.gz WLCLYONUGASATO-LBPRGKRZSA-N -1 1 296.351 3.300 20 0 CGADMM COC1=CC[C@H](Oc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC001226185150 817292429 /nfs/dbraw/zinc/29/24/29/817292429.db2.gz OUEJYUCZVMDYES-AWEZNQCLSA-N -1 1 298.342 3.311 20 0 CGADMM C[C@@H](Oc1cc(N)nc2ccccc21)C1=CC=C[CH]1 ZINC001226423583 817353265 /nfs/dbraw/zinc/35/32/65/817353265.db2.gz YXJMMKSBETZWIO-LLVKDONJSA-N -1 1 251.309 3.285 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H](C)C(C)C)c12 ZINC001226486139 817372773 /nfs/dbraw/zinc/37/27/73/817372773.db2.gz PTIRMGSNZPOZJQ-SNVBAGLBSA-N -1 1 262.305 3.230 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@H](C)CC(C)C ZINC001227169764 817578144 /nfs/dbraw/zinc/57/81/44/817578144.db2.gz ZMBOYHBQQJDBCE-LLVKDONJSA-N -1 1 266.337 3.035 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC001227169385 817578512 /nfs/dbraw/zinc/57/85/12/817578512.db2.gz SNNUUSNWPLRARM-MQIPJXDCSA-N -1 1 292.375 3.425 20 0 CGADMM COc1ccc([C@@H](C)Oc2[n-]c(=S)ncc2F)c(F)c1 ZINC001227387192 817636503 /nfs/dbraw/zinc/63/65/03/817636503.db2.gz UWCLRRXSGRYYCA-SSDOTTSWSA-N -1 1 298.314 3.192 20 0 CGADMM C[C@H](Oc1[n-]c(=S)ncc1F)c1cccc(N(C)C)c1 ZINC001227387517 817638437 /nfs/dbraw/zinc/63/84/37/817638437.db2.gz YWRXZUFQBHXPFD-VIFPVBQESA-N -1 1 293.367 3.110 20 0 CGADMM CC1=C[C@@H](Oc2cc(Cl)c([O-])cc2Cl)CC(=O)O1 ZINC001227640784 817686475 /nfs/dbraw/zinc/68/64/75/817686475.db2.gz GOAOUZYWGHGNAM-SSDOTTSWSA-N -1 1 289.114 3.297 20 0 CGADMM Cc1ccc2c(c1)[C@@H](Oc1[n-]c(=O)nc3c1CO[C@@H]3C)CC2 ZINC001227710672 817700386 /nfs/dbraw/zinc/70/03/86/817700386.db2.gz OWPDSSGEWQUKJI-YGRLFVJLSA-N -1 1 298.342 3.148 20 0 CGADMM Cc1ccc(-c2nccc3[nH]ccc32)cc1C(=O)[O-] ZINC001243193616 823283347 /nfs/dbraw/zinc/28/33/47/823283347.db2.gz YKEZVTAAJACCSB-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM FC1(F)CC[C@@H](Oc2[n-]c(=S)nc3cnccc32)C1 ZINC001227883525 817742611 /nfs/dbraw/zinc/74/26/11/817742611.db2.gz KEKJAJRDUQNVGV-SSDOTTSWSA-N -1 1 283.303 3.254 20 0 CGADMM CSc1nc(O[C@H]2CCc3ccc(C)cc32)cc(=O)[n-]1 ZINC001228091417 817810406 /nfs/dbraw/zinc/81/04/06/817810406.db2.gz YWXCNEYFSQDFKV-LBPRGKRZSA-N -1 1 288.372 3.279 20 0 CGADMM COc1cccc([C@H](C)Oc2cc(=O)[n-]c(SC)n2)c1 ZINC001228091444 817810681 /nfs/dbraw/zinc/81/06/81/817810681.db2.gz ZOVUNORZBOLTHO-VIFPVBQESA-N -1 1 292.360 3.053 20 0 CGADMM COC1=CC[C@@H](Oc2cccnc2-c2ncccc2[O-])CC1 ZINC001231204109 818058171 /nfs/dbraw/zinc/05/81/71/818058171.db2.gz NUHRWGLJAZXGPK-CYBMUJFWSA-N -1 1 298.342 3.311 20 0 CGADMM O=C1CCN(Cc2ccc(Cl)c([O-])c2)[C@H]2CCCC[C@@H]12 ZINC001231733452 818162227 /nfs/dbraw/zinc/16/22/27/818162227.db2.gz UWOAAXVVIRBVOV-OCCSQVGLSA-N -1 1 293.794 3.379 20 0 CGADMM CCN(CC(=O)OC(C)(C)C)Cc1ccc(Cl)c([O-])c1 ZINC001231736250 818163016 /nfs/dbraw/zinc/16/30/16/818163016.db2.gz GNKXGMGLFFKXFU-UHFFFAOYSA-N -1 1 299.798 3.209 20 0 CGADMM [O-]c1cccc(CN2CCC(F)(F)[C@H](F)C2)c1Cl ZINC001232784276 818439305 /nfs/dbraw/zinc/43/93/05/818439305.db2.gz JKDZVBAIHMLDFU-SNVBAGLBSA-N -1 1 279.689 3.225 20 0 CGADMM [O-]c1c(F)ccc(CN2CC[C@@H](F)C(F)(F)CC2)c1F ZINC001232930959 818475398 /nfs/dbraw/zinc/47/53/98/818475398.db2.gz HPONISOLGAWOFI-SNVBAGLBSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@@H]2c2nccs2)c1F ZINC001232936613 818476989 /nfs/dbraw/zinc/47/69/89/818476989.db2.gz DRWDQQRFLZEDMQ-LLVKDONJSA-N -1 1 296.342 3.464 20 0 CGADMM C[C@@H]1c2cccn2CCN1Cc1ccc([S-])cc1 ZINC001233261730 818559067 /nfs/dbraw/zinc/55/90/67/818559067.db2.gz BNKYLMYZIKQIOL-GFCCVEGCSA-N -1 1 258.390 3.354 20 0 CGADMM COC(=O)Cc1ccc(-c2ccc([O-])c(F)c2F)cc1F ZINC001243341865 823355327 /nfs/dbraw/zinc/35/53/27/823355327.db2.gz ZCPHMVIDLJEZBE-UHFFFAOYSA-N -1 1 296.244 3.192 20 0 CGADMM CCCc1cncnc1-c1ccc([O-])c(F)c1F ZINC001243338408 823353378 /nfs/dbraw/zinc/35/33/78/823353378.db2.gz ISATYNDIBFNUAI-UHFFFAOYSA-N -1 1 250.248 3.080 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1CCOC[C@@H]1C ZINC001233653352 818671555 /nfs/dbraw/zinc/67/15/55/818671555.db2.gz KEQBQOMQNOGRID-XHDPSFHLSA-N -1 1 278.348 3.179 20 0 CGADMM COC(=O)Cc1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243343092 823359260 /nfs/dbraw/zinc/35/92/60/823359260.db2.gz WWZYMVIFACEOGD-UHFFFAOYSA-N -1 1 278.254 3.053 20 0 CGADMM c1cc2[n-]c(O[C@@H]3COCc4ccccc43)nc2s1 ZINC001234849135 818933559 /nfs/dbraw/zinc/93/35/59/818933559.db2.gz YOFUSEGHIURWFH-GFCCVEGCSA-N -1 1 272.329 3.275 20 0 CGADMM CC(C)C[C@H](Oc1nc2sccc2[n-]1)C(=O)OC(C)C ZINC001234852461 818934604 /nfs/dbraw/zinc/93/46/04/818934604.db2.gz WNOWOSQYMGEMNL-NSHDSACASA-N -1 1 296.392 3.370 20 0 CGADMM Cc1nc2ccc(-c3c(F)ccc(C)c3[O-])nc2n1C ZINC001236391112 819447006 /nfs/dbraw/zinc/44/70/06/819447006.db2.gz HRJHIMXVNMTZMU-UHFFFAOYSA-N -1 1 271.295 3.097 20 0 CGADMM Cc1nc2[nH]ccc2cc1-c1cc(F)cc(F)c1[O-] ZINC001243504353 823422253 /nfs/dbraw/zinc/42/22/53/823422253.db2.gz MLJNGQLURMUBRF-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM CCOc1cc(-c2cc(F)cc(F)c2[O-])cnc1F ZINC001243506868 823424801 /nfs/dbraw/zinc/42/48/01/823424801.db2.gz MLFOLCAGRDPGBN-UHFFFAOYSA-N -1 1 269.222 3.270 20 0 CGADMM CC(C)Cn1cccc(-c2cc(F)cc(F)c2[O-])c1=O ZINC001243505362 823423157 /nfs/dbraw/zinc/42/31/57/823423157.db2.gz RKROYOXCSFLHBS-UHFFFAOYSA-N -1 1 279.286 3.155 20 0 CGADMM COC(=O)CCc1cccc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243506548 823424076 /nfs/dbraw/zinc/42/40/76/823424076.db2.gz YIIXEYSOTLRYLO-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM CSc1cc(C)nc(-c2cccc([O-])c2F)n1 ZINC001243542573 823436283 /nfs/dbraw/zinc/43/62/83/823436283.db2.gz PGFNQPKMEYVMFR-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM CC[C@@H]1CCN(Cc2cc(Cl)c([O-])cc2F)C1 ZINC001238153476 819945859 /nfs/dbraw/zinc/94/58/59/819945859.db2.gz NYYHAQKLGWWKBC-SECBINFHSA-N -1 1 257.736 3.417 20 0 CGADMM COC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)nc1F ZINC001243576912 823451157 /nfs/dbraw/zinc/45/11/57/823451157.db2.gz XIBGEOKQANRFMT-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM Cc1cc(-c2ccc(Cl)c([O-])c2)nc2[nH]cnc21 ZINC001243578085 823451924 /nfs/dbraw/zinc/45/19/24/823451924.db2.gz AAHAALSQBGFZPA-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM O=C1Cc2ccc(-c3ccc(Cl)c([O-])c3)cc2N1 ZINC001243578509 823452994 /nfs/dbraw/zinc/45/29/94/823452994.db2.gz QNICYSPRXAZVET-UHFFFAOYSA-N -1 1 259.692 3.207 20 0 CGADMM CCOC(=O)c1cc(-c2ccc(Cl)c([O-])c2)cnc1F ZINC001243581596 823454373 /nfs/dbraw/zinc/45/43/73/823454373.db2.gz JSKSUOTZGLSTFT-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM COc1nc(SC)ncc1-c1ccc(Cl)c([O-])c1 ZINC001243581239 823454391 /nfs/dbraw/zinc/45/43/91/823454391.db2.gz NGNRRCJIPRLZIQ-UHFFFAOYSA-N -1 1 282.752 3.233 20 0 CGADMM CN1CCc2cc(-c3ccc(Cl)c([O-])c3)ccc2C1=O ZINC001243582657 823454677 /nfs/dbraw/zinc/45/46/77/823454677.db2.gz BXPZBXCHDSXMAZ-UHFFFAOYSA-N -1 1 287.746 3.341 20 0 CGADMM Cc1nc2cc(-c3ccc(C(=O)[O-])cc3F)ccc2[nH]1 ZINC001239256060 820241082 /nfs/dbraw/zinc/24/10/82/820241082.db2.gz IYDMOYJSPBVLAX-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM CC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2[O-])nc1 ZINC001243608580 823466399 /nfs/dbraw/zinc/46/63/99/823466399.db2.gz UDYUBIWACJRGDL-UHFFFAOYSA-N -1 1 296.248 3.431 20 0 CGADMM O=C([O-])C=Cc1cccc(-c2nccc3[nH]ccc32)c1 ZINC001240547994 821134704 /nfs/dbraw/zinc/13/47/04/821134704.db2.gz IZXDGHOOEITHCL-SNAWJCMRSA-N -1 1 264.284 3.328 20 0 CGADMM Cc1[nH]c2ncnc(-c3cc(F)ccc3[O-])c2c1C ZINC001240693563 821248634 /nfs/dbraw/zinc/24/86/34/821248634.db2.gz FPEUFOACFBQPKO-UHFFFAOYSA-N -1 1 257.268 3.086 20 0 CGADMM [O-]c1ccc(F)cc1-c1ncnc2cc(F)ccc21 ZINC001240693088 821249952 /nfs/dbraw/zinc/24/99/52/821249952.db2.gz BGGKHBXUCQYFDB-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCCCN(C)c1cncc(-c2cc(F)ccc2[O-])n1 ZINC001240695133 821251416 /nfs/dbraw/zinc/25/14/16/821251416.db2.gz BNPDSIXRYPGFFV-UHFFFAOYSA-N -1 1 275.327 3.225 20 0 CGADMM CCCSc1ncnc(-c2cc(F)ccc2[O-])c1OC ZINC001240696634 821252122 /nfs/dbraw/zinc/25/21/22/821252122.db2.gz UQSNQHVRPGXDFB-UHFFFAOYSA-N -1 1 294.351 3.499 20 0 CGADMM Cc1cc(-c2ccc(CC(=O)[O-])cc2)cc2nc[nH]c21 ZINC001240973974 821458244 /nfs/dbraw/zinc/45/82/44/821458244.db2.gz SRQRDGMBXOABQF-UHFFFAOYSA-N -1 1 266.300 3.165 20 0 CGADMM CCOC(=O)c1cc(C)cc(-c2c(F)cc([O-])cc2F)n1 ZINC001241117428 821572034 /nfs/dbraw/zinc/57/20/34/821572034.db2.gz ODNUBRPUTZARMN-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM [O-]c1cc(F)c(-c2nc(C3CC3)nc3c2CCC3)c(F)c1 ZINC001241118718 821574540 /nfs/dbraw/zinc/57/45/40/821574540.db2.gz FDCVTLGRGSKKPT-UHFFFAOYSA-N -1 1 288.297 3.494 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3cncnc32)c(F)c1 ZINC001241120624 821575367 /nfs/dbraw/zinc/57/53/67/821575367.db2.gz DCMOUHMOPLPHIU-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(F)c(-c2cnc3scnc3c2)c(F)c1 ZINC001241120619 821575624 /nfs/dbraw/zinc/57/56/24/821575624.db2.gz CYBAYTHAKAAZOX-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(-c3ccccn3)nn2)c(F)c1 ZINC001241120305 821576026 /nfs/dbraw/zinc/57/60/26/821576026.db2.gz ZFBKXCODRMFTAP-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(OC(F)F)nc2)c(F)c1 ZINC001241120827 821576916 /nfs/dbraw/zinc/57/69/16/821576916.db2.gz NASLXEMFIWSKCD-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM Cc1c(-c2c(F)cc([O-])cc2F)ccc2nccn21 ZINC001241124722 821581197 /nfs/dbraw/zinc/58/11/97/821581197.db2.gz KZMPBCIGMWVBPR-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM CCOC(=O)c1cc(C)c(-c2c(F)cc([O-])cc2F)cn1 ZINC001241125403 821581254 /nfs/dbraw/zinc/58/12/54/821581254.db2.gz VAHKJZRVRRUFQF-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM [O-]c1ccc(F)c(-c2nccnc2OC2CCC2)c1F ZINC001241290767 821707714 /nfs/dbraw/zinc/70/77/14/821707714.db2.gz FVRZWMXMJLJPTA-UHFFFAOYSA-N -1 1 278.258 3.059 20 0 CGADMM Cc1noc(-c2ccc(-c3c(F)ccc([O-])c3F)nc2)n1 ZINC001241290929 821708258 /nfs/dbraw/zinc/70/82/58/821708258.db2.gz XNSWVCVYUFVDOS-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cn1c(=O)c(-c2c(F)ccc([O-])c2F)cc2ccccc21 ZINC001241292510 821709525 /nfs/dbraw/zinc/70/95/25/821709525.db2.gz CWOZAGJLPRCCFR-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM CC(C)COc1cnc(-c2c(F)ccc([O-])c2F)cn1 ZINC001241294184 821712594 /nfs/dbraw/zinc/71/25/94/821712594.db2.gz MUTGFADFNBNGQY-UHFFFAOYSA-N -1 1 280.274 3.162 20 0 CGADMM Cc1ncnc(-c2cc(C(F)(F)F)ccc2[O-])c1F ZINC001242131617 822888219 /nfs/dbraw/zinc/88/82/19/822888219.db2.gz NMKBBOGUMBTTKE-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM Cc1ncnc(-c2ccc([O-])c(C(F)(F)F)c2)c1F ZINC001242151217 822895512 /nfs/dbraw/zinc/89/55/12/822895512.db2.gz HSLMWPPHGUVENY-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM [O-]c1ccc(-c2cc3nccnc3cn2)cc1C(F)(F)F ZINC001242151415 822895974 /nfs/dbraw/zinc/89/59/74/822895974.db2.gz NBAABYCFUBUANY-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM [O-]c1ccc(-c2cn3ncnc3cc2F)cc1C(F)(F)F ZINC001242168285 822900667 /nfs/dbraw/zinc/90/06/67/822900667.db2.gz LGAUVAJYGUCZIP-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM COC(=O)c1cc(F)c(-c2ccc(F)cc2[O-])cc1F ZINC001242219116 822915459 /nfs/dbraw/zinc/91/54/59/822915459.db2.gz YAHHIMXYRLLAIW-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COC(=O)c1ccc(-c2ccc(F)cc2[O-])c(F)c1F ZINC001242219747 822916288 /nfs/dbraw/zinc/91/62/88/822916288.db2.gz OQVYSJROXAHONM-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM Cc1cc(NC2CC2)nc(-c2cccc(C)c2[O-])n1 ZINC001242343069 822957020 /nfs/dbraw/zinc/95/70/20/822957020.db2.gz NQBFTKYBSBLTIK-UHFFFAOYSA-N -1 1 255.321 3.040 20 0 CGADMM Cc1cccc(-c2ncc(C)c(NC3CC3)n2)c1[O-] ZINC001242343587 822957282 /nfs/dbraw/zinc/95/72/82/822957282.db2.gz ZOHUTTKVWPDLJB-UHFFFAOYSA-N -1 1 255.321 3.040 20 0 CGADMM O=c1c(-c2cccc(F)c2[O-])cccn1-c1cccc(F)c1 ZINC001242353189 822962794 /nfs/dbraw/zinc/96/27/94/822962794.db2.gz WIIFYFRFJRNCRP-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM O=c1cc(-c2cccc(Cl)c2[O-])ccn1-c1ccncc1 ZINC001242365373 822968631 /nfs/dbraw/zinc/96/86/31/822968631.db2.gz BJPHJSIJIAOBRK-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM CSc1ncc(-c2cccc(Cl)c2[O-])cn1 ZINC001242366312 822968772 /nfs/dbraw/zinc/96/87/72/822968772.db2.gz JQZKLJYLGSRUJS-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM O=C1NCc2cccc(-c3cccc(Cl)c3[O-])c2N1 ZINC001242366479 822968783 /nfs/dbraw/zinc/96/87/83/822968783.db2.gz YFSLMXBIGDPIEB-UHFFFAOYSA-N -1 1 274.707 3.348 20 0 CGADMM O=c1ccc(-c2cccc(Cl)c2[O-])cn1CC1CC1 ZINC001242366786 822969503 /nfs/dbraw/zinc/96/95/03/822969503.db2.gz COJWWLZPAKQLFY-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM O=C1NCc2c(cccc2-c2cccc(Cl)c2[O-])N1 ZINC001242366762 822969538 /nfs/dbraw/zinc/96/95/38/822969538.db2.gz BUMZBGVETIFVKZ-UHFFFAOYSA-N -1 1 274.707 3.348 20 0 CGADMM COC(=O)c1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001242366737 822969838 /nfs/dbraw/zinc/96/98/38/822969838.db2.gz SSAVUBIIYBANFQ-UHFFFAOYSA-N -1 1 262.692 3.499 20 0 CGADMM O=c1ccc(-c2cccc(Cl)c2[O-])cn1-c1ccncc1 ZINC001242366764 822969845 /nfs/dbraw/zinc/96/98/45/822969845.db2.gz BVJJLYRMGMFERS-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM CCN(C)c1ccc(CSc2ncc(C)c(=O)[n-]2)cc1 ZINC001327180527 935041631 /nfs/dbraw/zinc/04/16/31/935041631.db2.gz BDMSZYKLJLLXCO-UHFFFAOYSA-N -1 1 289.404 3.239 20 0 CGADMM CC(C)CO[N-]C(=O)Cc1cc2cc(Cl)ccc2[nH]1 ZINC001345042782 936798461 /nfs/dbraw/zinc/79/84/61/936798461.db2.gz MNPJTIGHQOUXDX-UHFFFAOYSA-N -1 1 280.755 3.068 20 0 CGADMM CCCOC1(CNc2cc(Cl)[n-]c(=O)n2)CCCCC1 ZINC001364174816 937232197 /nfs/dbraw/zinc/23/21/97/937232197.db2.gz QSSYHGNVYULLMR-UHFFFAOYSA-N -1 1 299.802 3.377 20 0 CGADMM CCC[C@H](C(=O)Nc1c[n-][nH]c1=O)c1cccc(Cl)c1 ZINC001364158168 937232579 /nfs/dbraw/zinc/23/25/79/937232579.db2.gz ZICPOVQPFDWBMJ-NSHDSACASA-N -1 1 293.754 3.291 20 0 CGADMM CC(C)CC[C@H](C)NC(=O)c1ncc2ccccc2c1[O-] ZINC001440893055 937334355 /nfs/dbraw/zinc/33/43/55/937334355.db2.gz YKGMUYCFQTXDDC-LBPRGKRZSA-N -1 1 286.375 3.495 20 0 CGADMM C[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc([O-])cn1 ZINC001441174443 937337288 /nfs/dbraw/zinc/33/72/88/937337288.db2.gz DTCZWZYIKZHCMJ-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM O=C(Nc1ccc2ccccc2n1)c1ccc(F)c([O-])c1 ZINC001441462817 937338455 /nfs/dbraw/zinc/33/84/55/937338455.db2.gz XVUMWIVQRMAUAF-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(CCCc1nccs1)Nc1ccc([O-])c(Cl)c1 ZINC001545951210 937344063 /nfs/dbraw/zinc/34/40/63/937344063.db2.gz JLNRBYGFYJQEHS-UHFFFAOYSA-N -1 1 296.779 3.464 20 0 CGADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccn1 ZINC001545951488 937344195 /nfs/dbraw/zinc/34/41/95/937344195.db2.gz VQFAFCZXVVBGNB-VIFPVBQESA-N -1 1 276.723 3.183 20 0 CGADMM CCS[C@@H]1CCCCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001443775833 937348539 /nfs/dbraw/zinc/34/85/39/937348539.db2.gz WGRHHSZZYVBAEZ-GFCCVEGCSA-N -1 1 297.395 3.279 20 0 CGADMM Cc1cccc([C@@H](C)CNC(=O)c2ccc(F)c([O-])c2)c1 ZINC001444517340 937352576 /nfs/dbraw/zinc/35/25/76/937352576.db2.gz RJMLKPPJUOCXTB-LBPRGKRZSA-N -1 1 287.334 3.373 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c([O-])c1 ZINC001445163029 937355892 /nfs/dbraw/zinc/35/58/92/937355892.db2.gz ODRINNJCYDSRMN-OLZOCXBDSA-N -1 1 284.359 3.018 20 0 CGADMM CC(C)CSCCCNC(=O)c1ccc(F)c([O-])c1 ZINC001446247571 937362700 /nfs/dbraw/zinc/36/27/00/937362700.db2.gz ZOOAEHSYYLVVOQ-UHFFFAOYSA-N -1 1 285.384 3.040 20 0 CGADMM CC1=CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001448499353 937375232 /nfs/dbraw/zinc/37/52/32/937375232.db2.gz WIIMEJITGXHSMQ-UHFFFAOYSA-N -1 1 285.265 3.203 20 0 CGADMM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1ccc(F)c([O-])c1 ZINC001450586542 937385981 /nfs/dbraw/zinc/38/59/81/937385981.db2.gz KMOORIOTGKATIG-NWDGAFQWSA-N -1 1 295.354 3.361 20 0 CGADMM CC1(C2(NC(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)CC1 ZINC001449449891 937379658 /nfs/dbraw/zinc/37/96/58/937379658.db2.gz IRMJZFVAWZPALS-UHFFFAOYSA-N -1 1 299.292 3.474 20 0 CGADMM O=C(Cc1ccc(F)cc1F)Nc1cc([O-])c(F)cc1F ZINC001450897361 937387823 /nfs/dbraw/zinc/38/78/23/937387823.db2.gz MXDMDJJYVZZCDL-UHFFFAOYSA-N -1 1 299.223 3.130 20 0 CGADMM CC[C@H]1CC[C@H](C(=O)[N-]Oc2ccc(F)cc2)CC1 ZINC001453039131 937400423 /nfs/dbraw/zinc/40/04/23/937400423.db2.gz VBTPTMPTAKMVPU-HAQNSBGRSA-N -1 1 265.328 3.452 20 0 CGADMM CSc1cc(Cl)ccc1NC(=O)c1cncc([O-])c1 ZINC001453215420 937401245 /nfs/dbraw/zinc/40/12/45/937401245.db2.gz RFHNJHUXTFGDBB-UHFFFAOYSA-N -1 1 294.763 3.415 20 0 CGADMM COc1ccc(CCC(=O)Nc2cccc(F)c2[O-])cc1 ZINC001454759456 937412113 /nfs/dbraw/zinc/41/21/13/937412113.db2.gz UGHZFDFRKQZAPX-UHFFFAOYSA-N -1 1 289.306 3.111 20 0 CGADMM Cc1sccc1CC(=O)Nc1cccc(F)c1[O-] ZINC001454756718 937412175 /nfs/dbraw/zinc/41/21/75/937412175.db2.gz MIMVWKLCYMCZCL-UHFFFAOYSA-N -1 1 265.309 3.082 20 0 CGADMM O=C(NCC[C@H]1CCCC1(F)F)c1ccc(F)c([O-])c1 ZINC001455204680 937415879 /nfs/dbraw/zinc/41/58/79/937415879.db2.gz UTSNHBMBZSPSEJ-SNVBAGLBSA-N -1 1 287.281 3.087 20 0 CGADMM C[C@H]1CCC[C@H](C(=O)[N-]Oc2ccccc2F)C1 ZINC001455475686 937417832 /nfs/dbraw/zinc/41/78/32/937417832.db2.gz LGUQZTXBGSIIIN-QWRGUYRKSA-N -1 1 251.301 3.062 20 0 CGADMM Cc1ccnc(SCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC001459250962 937483147 /nfs/dbraw/zinc/48/31/47/937483147.db2.gz BRGOCVHWWPPXDJ-UHFFFAOYSA-N -1 1 299.351 3.494 20 0 CGADMM CCCCOC[C@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135150 932102843 /nfs/dbraw/zinc/10/28/43/932102843.db2.gz KVJZERBUYGKHIN-NSHDSACASA-N -1 1 292.331 3.083 20 0 CGADMM COC(=O)C1CC(Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229411871 932147288 /nfs/dbraw/zinc/14/72/88/932147288.db2.gz VXNFTZPUPHSSSI-UHFFFAOYSA-N -1 1 291.130 3.029 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)c1cnn(C)c1C ZINC001229475230 932157429 /nfs/dbraw/zinc/15/74/29/932157429.db2.gz RJEKYKONVNWUAO-LLVKDONJSA-N -1 1 288.347 3.167 20 0 CGADMM Cc1noc([C@@H](NCc2cccc([O-])c2Cl)C(C)C)n1 ZINC001461838621 937601222 /nfs/dbraw/zinc/60/12/22/937601222.db2.gz NYEHLCHXZQRNKW-ZDUSSCGKSA-N -1 1 295.770 3.224 20 0 CGADMM O=C(N[C@@H]1CCSC2(CCC2)C1)c1ccc(F)c([O-])c1 ZINC001304420877 932849778 /nfs/dbraw/zinc/84/97/78/932849778.db2.gz SSXUZSJUZGYJLD-LLVKDONJSA-N -1 1 295.379 3.079 20 0 CGADMM [O-]c1ccc(CN[C@@H]2C[C@@]2(F)c2ccccc2)c(F)c1F ZINC001462366115 937635550 /nfs/dbraw/zinc/63/55/50/937635550.db2.gz WEFBRSPEWVRMJL-CZUORRHYSA-N -1 1 293.288 3.397 20 0 CGADMM CO/C(=C\c1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC001306783026 932887002 /nfs/dbraw/zinc/88/70/02/932887002.db2.gz MYQCZJFVPBYZQN-DHDCSXOGSA-N -1 1 287.290 3.157 20 0 CGADMM O=C(CC1CCC(c2ccccc2)CC1)Nc1c[n-][nH]c1=O ZINC001306847859 932890016 /nfs/dbraw/zinc/89/00/16/932890016.db2.gz BSTSEHRZVZBSNP-UHFFFAOYSA-N -1 1 299.374 3.418 20 0 CGADMM O=C(N[C@@H](CC1CC1)c1ccccc1)c1ncccc1[O-] ZINC001465217923 937698975 /nfs/dbraw/zinc/69/89/75/937698975.db2.gz AISIOWPQUNVFJK-AWEZNQCLSA-N -1 1 282.343 3.058 20 0 CGADMM O=C(NC1(C2CC2)CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001465765075 937703542 /nfs/dbraw/zinc/70/35/42/937703542.db2.gz LPYFKRQBXFZZQI-UHFFFAOYSA-N -1 1 285.265 3.083 20 0 CGADMM C[C@H](NC(=O)c1ncccc1[O-])c1ccc2c(c1)CCCC2 ZINC001466719688 937711644 /nfs/dbraw/zinc/71/16/44/937711644.db2.gz IIXBYKOLQYVQKC-LBPRGKRZSA-N -1 1 296.370 3.157 20 0 CGADMM CC1(C)CCC[C@@H]1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001468348202 937727052 /nfs/dbraw/zinc/72/70/52/937727052.db2.gz QXOABUHSPCIIAL-CYBMUJFWSA-N -1 1 298.386 3.497 20 0 CGADMM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC001468927325 937733403 /nfs/dbraw/zinc/73/34/03/937733403.db2.gz HWKIAYVMJFSSED-ZYHUDNBSSA-N -1 1 279.355 3.476 20 0 CGADMM COC[C@@H](CC(C)(C)C)NC(=O)c1ccc(Cl)cc1[O-] ZINC001469522290 937740166 /nfs/dbraw/zinc/74/01/66/937740166.db2.gz XAHLINLUYKVMHX-LLVKDONJSA-N -1 1 299.798 3.227 20 0 CGADMM Cc1sccc1C(=O)Nc1c([O-])cccc1F ZINC001469929567 937745698 /nfs/dbraw/zinc/74/56/98/937745698.db2.gz TUUDKOVNSYHTND-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM C[C@H](CC1CCCC1)C(=O)[N-]Oc1ccc(F)cc1 ZINC001469938584 937746121 /nfs/dbraw/zinc/74/61/21/937746121.db2.gz WLOWPXYWSHWTSW-LLVKDONJSA-N -1 1 265.328 3.452 20 0 CGADMM C[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)C[C@H]1C ZINC001471235983 937763305 /nfs/dbraw/zinc/76/33/05/937763305.db2.gz PHYPGUDSXUWPLX-GHMZBOCLSA-N -1 1 296.798 3.233 20 0 CGADMM Cc1nn(C)c(C)c1[N-]c1nc2cccc(C)c2o1 ZINC001325182082 934892761 /nfs/dbraw/zinc/89/27/61/934892761.db2.gz ZBLLVWZLQWOTGF-UHFFFAOYSA-N -1 1 256.309 3.230 20 0 CGADMM O=C([O-])[C@H](c1ccccc1Cl)N1CCC(F)(F)CC1 ZINC001331841274 935414075 /nfs/dbraw/zinc/41/40/75/935414075.db2.gz TYBCKADQLFQJGW-NSHDSACASA-N -1 1 289.709 3.197 20 0 CGADMM Cc1c2ccccc2oc1[C@H](C)NCc1cc(C(=O)[O-])n[nH]1 ZINC001332433685 935469276 /nfs/dbraw/zinc/46/92/76/935469276.db2.gz XCNJYXBWQQNFAJ-JTQLQIEISA-N -1 1 299.330 3.013 20 0 CGADMM CCc1nc(CN[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)cs1 ZINC001333143925 935514015 /nfs/dbraw/zinc/51/40/15/935514015.db2.gz FZHHEASPOARMNJ-PWSUYJOCSA-N -1 1 296.436 3.075 20 0 CGADMM CCCCN(C(=O)c1cnncc1[O-])[C@H](C)c1ccccc1 ZINC001335741442 936158013 /nfs/dbraw/zinc/15/80/13/936158013.db2.gz IRCRSQWTHPKARR-CYBMUJFWSA-N -1 1 299.374 3.186 20 0 CGADMM Cc1nocc1[N-]C(=O)c1ncoc1-c1ccc(C)cc1 ZINC001530847153 938079765 /nfs/dbraw/zinc/07/97/65/938079765.db2.gz RDWKIYMCFANPJC-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM CC(C)[C@H]1CCCCN1C(=O)c1cccc([O-])c1F ZINC001543545509 938140216 /nfs/dbraw/zinc/14/02/16/938140216.db2.gz MEQJZILJFVZPIM-GFCCVEGCSA-N -1 1 265.328 3.182 20 0 CGADMM O=C(NC[C@@H]1CC=CCC1)c1ncc2ccccc2c1[O-] ZINC001544221501 938144040 /nfs/dbraw/zinc/14/40/40/938144040.db2.gz NLPKCLNQNPDTEQ-GFCCVEGCSA-N -1 1 282.343 3.027 20 0 CGADMM O=C([N-]c1c(F)ccnc1F)c1sccc1Cl ZINC001544857618 938147464 /nfs/dbraw/zinc/14/74/64/938147464.db2.gz BSPRUTDRMCHBIU-UHFFFAOYSA-N -1 1 274.679 3.327 20 0 CGADMM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001545601397 938149998 /nfs/dbraw/zinc/14/99/98/938149998.db2.gz BZSNINZDOUGDNV-DTORHVGOSA-N -1 1 287.281 3.424 20 0 CGADMM Cc1ccnc(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)c1[O-] ZINC001550370241 938166440 /nfs/dbraw/zinc/16/64/40/938166440.db2.gz DAJGYJKABKBTND-OAHLLOKOSA-N -1 1 288.391 3.136 20 0 CGADMM COC/C=C/C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001557587116 938210950 /nfs/dbraw/zinc/21/09/50/938210950.db2.gz UHPLSRDFVYGQGO-QPJJXVBHSA-N -1 1 291.734 3.340 20 0 CGADMM C[C@@H](C(=O)Nc1cccc(F)c1[O-])c1ccsc1 ZINC001557957153 938212729 /nfs/dbraw/zinc/21/27/29/938212729.db2.gz SQBYSBPFFPQOLX-MRVPVSSYSA-N -1 1 265.309 3.335 20 0 CGADMM C[C@H]1CCCC[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001558209595 938214212 /nfs/dbraw/zinc/21/42/12/938214212.db2.gz VQZLCGICIZBZLW-JQWIXIFHSA-N -1 1 281.783 3.488 20 0 CGADMM CCC(C)(C)CC[N-]S(=O)(=O)c1cccc(F)c1F ZINC001561817266 938296728 /nfs/dbraw/zinc/29/67/28/938296728.db2.gz MGHMOTSYXSTODN-UHFFFAOYSA-N -1 1 291.363 3.069 20 0 CGADMM Cc1cc(F)c(CN2CCC[C@@H](CCC(=O)[O-])C2)c(F)c1 ZINC001600226262 970778838 /nfs/dbraw/zinc/77/88/38/970778838.db2.gz OIQJRAJXRNNGTK-LBPRGKRZSA-N -1 1 297.345 3.350 20 0 CGADMM O=C([O-])CC[C@H]1CCCCN1C/C(Cl)=C/Cl ZINC000086000698 949054111 /nfs/dbraw/zinc/05/41/11/949054111.db2.gz NXSOYFWDTHZANA-UJICNMFASA-N -1 1 266.168 3.025 20 0 CGADMM CN(Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1F ZINC000062750532 957607980 /nfs/dbraw/zinc/60/79/80/957607980.db2.gz HGHAFNFZNMWREY-UHFFFAOYSA-N -1 1 273.307 3.156 20 0 CGADMM C[C@H](c1cc(F)ccc1F)N1CCC(CC(=O)[O-])CC1 ZINC000093682094 958256250 /nfs/dbraw/zinc/25/62/50/958256250.db2.gz QSFHHLBHQDUXJI-SNVBAGLBSA-N -1 1 283.318 3.213 20 0 CGADMM CCC(CC)(NCc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000094242714 958280265 /nfs/dbraw/zinc/28/02/65/958280265.db2.gz PZJHPHRVRDWLCL-UHFFFAOYSA-N -1 1 288.347 3.075 20 0 CGADMM Cc1cccc(F)c1CNCc1ccc(C(=O)[O-])cc1 ZINC001594404939 958895427 /nfs/dbraw/zinc/89/54/27/958895427.db2.gz LFACSYPTINSQDO-UHFFFAOYSA-N -1 1 273.307 3.122 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)NCC1=CCCCC1 ZINC001564851564 960700783 /nfs/dbraw/zinc/70/07/83/960700783.db2.gz NVXKJICDDJJLNO-UHFFFAOYSA-N -1 1 294.782 3.345 20 0 CGADMM CCN(Cc1ccc(C(=O)[O-])s1)Cc1occc1C ZINC001573880781 962285827 /nfs/dbraw/zinc/28/58/27/962285827.db2.gz FYSPUGZFWQAHPH-UHFFFAOYSA-N -1 1 279.361 3.370 20 0 CGADMM CN(Cc1ccoc1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001583052674 962768763 /nfs/dbraw/zinc/76/87/63/962768763.db2.gz SBIZDZQITZAJJS-UHFFFAOYSA-N -1 1 297.310 3.116 20 0 CGADMM CC1(C)CCC[C@H]1CCNC(=O)c1ccc(F)c([O-])c1 ZINC001585391918 963011278 /nfs/dbraw/zinc/01/12/78/963011278.db2.gz OSPZWLBBUQXFBM-LBPRGKRZSA-N -1 1 279.355 3.478 20 0 CGADMM CCC(C)(C)CCNC(=O)c1ccc(F)c([O-])c1 ZINC001586999733 963161175 /nfs/dbraw/zinc/16/11/75/963161175.db2.gz LAHOQCKQLRCIEY-UHFFFAOYSA-N -1 1 253.317 3.087 20 0 CGADMM CC(C)(C)c1cccc(Oc2ncccc2-c2nn[n-]n2)c1 ZINC001589232482 963353951 /nfs/dbraw/zinc/35/39/51/963353951.db2.gz RSSOPOIDAAOHHQ-UHFFFAOYSA-N -1 1 295.346 3.352 20 0 CGADMM Cc1ccoc1CN(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000312550194 963574176 /nfs/dbraw/zinc/57/41/76/963574176.db2.gz RSYIVZJSLOUSEV-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM CC(C)=CCSc1cccc(F)c1-c1nn[n-]n1 ZINC001589380311 963986584 /nfs/dbraw/zinc/98/65/84/963986584.db2.gz SLLFPQUQGINGRF-UHFFFAOYSA-N -1 1 264.329 3.064 20 0 CGADMM CC(C)c1[nH]c(CN[C@@H](C)c2cccnc2)cc1C(=O)[O-] ZINC001591916041 976361819 /nfs/dbraw/zinc/36/18/19/976361819.db2.gz GDGRCTCTUJAMBK-NSHDSACASA-N -1 1 287.363 3.082 20 0 CGADMM Cc1[nH]c(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC001599961418 985788267 /nfs/dbraw/zinc/78/82/67/985788267.db2.gz FQDZIEMOTIHUFR-PJODQICGSA-N -1 1 290.407 3.422 20 0 CGADMM C[C@H]1CN(CCC(C)(C)C(=O)[O-])C[C@H](c2ccsc2)O1 ZINC001594529032 986107373 /nfs/dbraw/zinc/10/73/73/986107373.db2.gz UAFVCTMRPWQGPB-WCQYABFASA-N -1 1 297.420 3.011 20 0 CGADMM CCc1cc(CN[C@H](C)c2ccc(C(=O)[O-])cc2C)on1 ZINC001597478071 987956058 /nfs/dbraw/zinc/95/60/58/987956058.db2.gz ADGBBZANJCDAOD-LLVKDONJSA-N -1 1 288.347 3.094 20 0 CGADMM CCc1ncc(CN[C@H](C)c2ccc(C(=O)[O-])cc2C)o1 ZINC001597701145 988925105 /nfs/dbraw/zinc/92/51/05/988925105.db2.gz ZCZFLMAVODERAV-LLVKDONJSA-N -1 1 288.347 3.094 20 0 CGADMM CC(C)C[C@@H]1CCN([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591211062 992050812 /nfs/dbraw/zinc/05/08/12/992050812.db2.gz ONALDXSKRMUKFP-MNOVXSKESA-N -1 1 282.409 3.270 20 0 CGADMM COC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC001599203019 997350280 /nfs/dbraw/zinc/35/02/80/997350280.db2.gz JVSJFVJOLQNWQJ-ZDUSSCGKSA-N -1 1 297.782 3.039 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@H]1C1CCCC1 ZINC000651586311 398256146 /nfs/dbraw/zinc/25/61/46/398256146.db2.gz XIZLPGFEWYVBMY-WDEREUQCSA-N -1 1 263.312 3.296 20 0 CGADMM O=S(=O)([N-]C1(C2CCC2)CC1)c1sccc1Cl ZINC000651871802 398298994 /nfs/dbraw/zinc/29/89/94/398298994.db2.gz DPNSWAMJPSTIGH-UHFFFAOYSA-N -1 1 291.825 3.013 20 0 CGADMM CN(Cc1ccc2ccccc2c1)C(=O)c1ncccc1[O-] ZINC000338034285 214371771 /nfs/dbraw/zinc/37/17/71/214371771.db2.gz BCHVAWAALZBGPA-UHFFFAOYSA-N -1 1 292.338 3.213 20 0 CGADMM CC[C@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1F ZINC000436948471 529430367 /nfs/dbraw/zinc/43/03/67/529430367.db2.gz WPVKGORYPPBXSS-CYBMUJFWSA-N -1 1 287.334 3.282 20 0 CGADMM CCc1ncc(CNC(=O)c2cc3ccccc3cc2[O-])o1 ZINC000622655060 349693267 /nfs/dbraw/zinc/69/32/67/349693267.db2.gz BDLVNYCNEJSFLU-UHFFFAOYSA-N -1 1 296.326 3.026 20 0 CGADMM CC(=O)c1cccc(-c2nc3cccc(F)c3c(=O)[n-]2)c1 ZINC000591726249 346933641 /nfs/dbraw/zinc/93/36/41/346933641.db2.gz GYTNXEFUTUPXQZ-UHFFFAOYSA-N -1 1 282.274 3.344 20 0 CGADMM CC(C)N(Cc1cccs1)Cc1occc1C(=O)[O-] ZINC000042318979 344981931 /nfs/dbraw/zinc/98/19/31/344981931.db2.gz ITHJVKGBJIWCEM-UHFFFAOYSA-N -1 1 279.361 3.450 20 0 CGADMM Cc1ccccc1[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000080022885 345662293 /nfs/dbraw/zinc/66/22/93/345662293.db2.gz KJLCATFPQNLYFT-ZDUSSCGKSA-N -1 1 299.345 3.469 20 0 CGADMM Cc1oc(CN2CCC(C(F)(F)F)CC2)cc1C(=O)[O-] ZINC000088422714 345760858 /nfs/dbraw/zinc/76/08/58/345760858.db2.gz KGDOWMWWSDDCSL-UHFFFAOYSA-N -1 1 291.269 3.061 20 0 CGADMM O=C(NCCSc1ccccc1)c1c([O-])cccc1F ZINC000163642108 232258878 /nfs/dbraw/zinc/25/88/78/232258878.db2.gz QTBZOYFRJARUTR-UHFFFAOYSA-N -1 1 291.347 3.053 20 0 CGADMM O=c1cc(C(F)(F)F)nc(SC2CCCC2)[n-]1 ZINC000126968976 346028246 /nfs/dbraw/zinc/02/82/46/346028246.db2.gz KAYIDXCCIJTISA-UHFFFAOYSA-N -1 1 264.272 3.236 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc([O-])cc2F)[C@H]1c1ccccc1 ZINC000181244442 290772740 /nfs/dbraw/zinc/77/27/40/290772740.db2.gz HHLYVMHNVQQVSP-MEDUHNTESA-N -1 1 285.318 3.365 20 0 CGADMM CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000232783233 346328273 /nfs/dbraw/zinc/32/82/73/346328273.db2.gz BEHGFHVPLZQDTL-CYBMUJFWSA-N -1 1 287.812 3.334 20 0 CGADMM CSCC1(Cc2noc(-c3cc(F)ccc3[O-])n2)CC1 ZINC000596610016 347488700 /nfs/dbraw/zinc/48/87/00/347488700.db2.gz YCDDXMBWBLRURL-UHFFFAOYSA-N -1 1 294.351 3.267 20 0 CGADMM O=C(CCc1ccc(F)cc1)Nc1c([O-])cccc1F ZINC000605436563 348155307 /nfs/dbraw/zinc/15/53/07/348155307.db2.gz KPGBLDJAJZFWOJ-UHFFFAOYSA-N -1 1 277.270 3.242 20 0 CGADMM O=[S@](C=C([O-])c1ccc[nH]1)Cc1cccc2ccccc21 ZINC000609372704 348343176 /nfs/dbraw/zinc/34/31/76/348343176.db2.gz IJKANRNGLXFHTD-NRFANRHFSA-N -1 1 297.379 3.300 20 0 CGADMM CSCCCCC(=O)Nc1c([O-])cccc1F ZINC000610339666 348375700 /nfs/dbraw/zinc/37/57/00/348375700.db2.gz DDUPZCSJVBNNIA-UHFFFAOYSA-N -1 1 257.330 3.003 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccccc2Cl)c1=O ZINC000614185376 348656845 /nfs/dbraw/zinc/65/68/45/348656845.db2.gz PMYRHCWALJHTQN-SNVBAGLBSA-N -1 1 250.729 3.479 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccccc2Cl)c1=O ZINC000614185375 348656958 /nfs/dbraw/zinc/65/69/58/348656958.db2.gz PMYRHCWALJHTQN-JTQLQIEISA-N -1 1 250.729 3.479 20 0 CGADMM C[C@H](CC(F)(F)F)NC(=O)c1ncc2ccccc2c1[O-] ZINC000613561515 348618481 /nfs/dbraw/zinc/61/84/81/348618481.db2.gz QQPJOMZBPIPXPE-MRVPVSSYSA-N -1 1 298.264 3.011 20 0 CGADMM O=C(NCCC1CSC1)c1cc2ccccc2cc1[O-] ZINC000616402999 348817209 /nfs/dbraw/zinc/81/72/09/348817209.db2.gz ADCKZFFMSSEMGC-UHFFFAOYSA-N -1 1 287.384 3.028 20 0 CGADMM COc1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)cc1OC ZINC000339568397 215246727 /nfs/dbraw/zinc/24/67/27/215246727.db2.gz LSVPOCFOYJYDOM-UHFFFAOYSA-N -1 1 296.326 3.328 20 0 CGADMM CCOc1cc(C(=O)N(CC)CC2CC2)cc(Cl)c1[O-] ZINC000273967980 192383288 /nfs/dbraw/zinc/38/32/88/192383288.db2.gz QPLFYUTXGSSYQI-UHFFFAOYSA-N -1 1 297.782 3.316 20 0 CGADMM CCC(CC)CCCN(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000620197555 349334351 /nfs/dbraw/zinc/33/43/51/349334351.db2.gz SPTOSYWTPJAPNH-UHFFFAOYSA-N -1 1 291.391 3.250 20 0 CGADMM O=S(=O)(Cc1cccc(C(F)F)c1)c1ccc([O-])cc1 ZINC000359166616 233272413 /nfs/dbraw/zinc/27/24/13/233272413.db2.gz KDRZRSYUPOPTTK-UHFFFAOYSA-N -1 1 298.310 3.304 20 0 CGADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc[nH]c1C1CC1 ZINC000352216324 219367774 /nfs/dbraw/zinc/36/77/74/219367774.db2.gz GXHBDYGCQYKGFC-UHFFFAOYSA-N -1 1 298.371 3.018 20 0 CGADMM COCCC1(C(=O)Nc2cccc(F)c2[O-])CCCC1 ZINC000628960302 350626524 /nfs/dbraw/zinc/62/65/24/350626524.db2.gz CCYRZFWTGMRSMJ-UHFFFAOYSA-N -1 1 281.327 3.067 20 0 CGADMM CCc1nc(SCc2ncccc2Cl)[n-]c(=O)c1C ZINC000629183896 350665115 /nfs/dbraw/zinc/66/51/15/350665115.db2.gz GSMAXXVMWKCFFN-UHFFFAOYSA-N -1 1 295.795 3.394 20 0 CGADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1=CCCCCC1 ZINC000629378639 350684924 /nfs/dbraw/zinc/68/49/24/350684924.db2.gz HGWFMIXQJIGBTP-UHFFFAOYSA-N -1 1 297.358 3.407 20 0 CGADMM C[C@@H]1CC=C(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000629380152 350685956 /nfs/dbraw/zinc/68/59/56/350685956.db2.gz LHOLXAJRROGEEK-GFCCVEGCSA-N -1 1 297.358 3.263 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCCC2(CC2)CC1 ZINC000629654504 350731132 /nfs/dbraw/zinc/73/11/32/350731132.db2.gz QFPMYXPWHAQYEN-UHFFFAOYSA-N -1 1 279.767 3.452 20 0 CGADMM Cn1c(C2CC2)n[n-]c1=NCc1ccc(F)c2ccccc12 ZINC000630955263 350916167 /nfs/dbraw/zinc/91/61/67/350916167.db2.gz YAMWJIVWZJLPIU-UHFFFAOYSA-N -1 1 296.349 3.019 20 0 CGADMM Cc1nc(SCc2cc(Cl)ccn2)[n-]c(=O)c1C ZINC000631014841 350924415 /nfs/dbraw/zinc/92/44/15/350924415.db2.gz KOWMMHWONWAILG-UHFFFAOYSA-N -1 1 281.768 3.140 20 0 CGADMM Cc1nc(SCC2CC=CC2)[n-]c(=O)c1C1CC1 ZINC000631023176 350926484 /nfs/dbraw/zinc/92/64/84/350926484.db2.gz KIUWHCGGDQCUEO-UHFFFAOYSA-N -1 1 262.378 3.426 20 0 CGADMM Cc1noc(C)c1CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023136 350926607 /nfs/dbraw/zinc/92/66/07/350926607.db2.gz JGDDOUWDSBFYGQ-UHFFFAOYSA-N -1 1 291.376 3.265 20 0 CGADMM CC[C@@H](C)C(=O)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023074 350926638 /nfs/dbraw/zinc/92/66/38/350926638.db2.gz GTENIOSAURKAHW-MRVPVSSYSA-N -1 1 280.393 3.075 20 0 CGADMM Cc1nc(SCCC(F)(F)F)[n-]c(=O)c1C1CC1 ZINC000631023333 350926810 /nfs/dbraw/zinc/92/68/10/350926810.db2.gz MUSZHPBPOFFELM-UHFFFAOYSA-N -1 1 278.299 3.413 20 0 CGADMM CC1(C)CCC[C@@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631653344 351107205 /nfs/dbraw/zinc/10/72/05/351107205.db2.gz ZMCLZFCQAZKTNE-ZDUSSCGKSA-N -1 1 281.783 3.283 20 0 CGADMM Cc1ccc(Cn2[n-]c3c(c2=O)C[C@@H](C)CC3)cc1 ZINC000634589241 351527956 /nfs/dbraw/zinc/52/79/56/351527956.db2.gz SJYNTUDQZMJWHG-GXTWGEPZSA-N -1 1 256.349 3.129 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3cccc4cccnc43)c(=O)c2C1 ZINC000634592870 351528917 /nfs/dbraw/zinc/52/89/17/351528917.db2.gz XHANUFSHVJYIPP-DOMZBBRYSA-N -1 1 293.370 3.369 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(F)c(Cl)c3)c(=O)c21 ZINC000634596759 351533312 /nfs/dbraw/zinc/53/33/12/351533312.db2.gz QDMDXHFEBRDDEM-JMCQJSRRSA-N -1 1 266.703 3.228 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(OC(F)F)cc2)[n-]1 ZINC000634602275 351536820 /nfs/dbraw/zinc/53/68/20/351536820.db2.gz LPSJPGQLJJXXGG-UHFFFAOYSA-N -1 1 268.263 3.181 20 0 CGADMM COc1ccc(CCn2[n-]c3c(c2=O)CCCCC3)cc1 ZINC000634612528 351542174 /nfs/dbraw/zinc/54/21/74/351542174.db2.gz AWCFJVTXGMZVGD-OAHLLOKOSA-N -1 1 286.375 3.016 20 0 CGADMM CCCc1[nH]n(-c2ccc(C(=O)[O-])c(F)c2)c(=O)c1CC ZINC000634631666 351553964 /nfs/dbraw/zinc/55/39/64/351553964.db2.gz ZZXSMZSVCNKVAW-JTQLQIEISA-N -1 1 292.310 3.053 20 0 CGADMM C[C@@H](CN(C)Cc1cc(Cl)cc(Cl)c1F)C(=O)[O-] ZINC000635016274 351631844 /nfs/dbraw/zinc/63/18/44/351631844.db2.gz LKFXQIKTUQZISQ-ZETCQYMHSA-N -1 1 294.153 3.285 20 0 CGADMM CCC1(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)CC1 ZINC000339846110 215362974 /nfs/dbraw/zinc/36/29/74/215362974.db2.gz JUKZLMCMMUKNKL-UHFFFAOYSA-N -1 1 295.795 3.342 20 0 CGADMM CC1(C)CN(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1C1CC1 ZINC000291992416 198128006 /nfs/dbraw/zinc/12/80/06/198128006.db2.gz WMQZTJAFKPLGEJ-CYBMUJFWSA-N -1 1 279.767 3.306 20 0 CGADMM CS[C@@H]1CCCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000154278718 188133443 /nfs/dbraw/zinc/13/34/43/188133443.db2.gz DVKFODNHKHGLSO-LLVKDONJSA-N -1 1 299.823 3.403 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1C1CC1 ZINC000377545595 234865460 /nfs/dbraw/zinc/86/54/60/234865460.db2.gz RZERJMQUJRRYMC-LBPRGKRZSA-N -1 1 265.740 3.060 20 0 CGADMM O=C([O-])CCCCCN1CCc2[nH]c3ccccc3c2C1 ZINC000516301231 304046394 /nfs/dbraw/zinc/04/63/94/304046394.db2.gz OSEONFCSKPQRHZ-UHFFFAOYSA-N -1 1 286.375 3.171 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC000088717872 138342675 /nfs/dbraw/zinc/34/26/75/138342675.db2.gz ACIBSFGGXVZQOK-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CCC1(CC)CN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000294530221 199074651 /nfs/dbraw/zinc/07/46/51/199074651.db2.gz UWFGGJYJQWANGY-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM CCOc1cc(C(=O)N2CCC=C(C)C2)cc(Cl)c1[O-] ZINC000336208186 213032230 /nfs/dbraw/zinc/03/22/30/213032230.db2.gz UKMHPYAYVDEIKN-UHFFFAOYSA-N -1 1 295.766 3.237 20 0 CGADMM O=C(NC1CC(C(F)(F)F)C1)c1cc(Cl)ccc1[O-] ZINC000436735483 237169662 /nfs/dbraw/zinc/16/96/62/237169662.db2.gz CJNUUCUUUBLCPW-UHFFFAOYSA-N -1 1 293.672 3.116 20 0 CGADMM CN(C(=O)c1ccc2ccccc2c1[O-])[C@H]1CC1(C)C ZINC000436727594 237170120 /nfs/dbraw/zinc/17/01/20/237170120.db2.gz AGMDBAAUCGFCRY-AWEZNQCLSA-N -1 1 269.344 3.416 20 0 CGADMM O=C(Nc1cccc2ccccc21)C(=O)c1ccc([O-])cc1 ZINC000436733518 237171132 /nfs/dbraw/zinc/17/11/32/237171132.db2.gz WGYZEALJNBGMJP-UHFFFAOYSA-N -1 1 291.306 3.367 20 0 CGADMM Cc1nc2ccc(NC(=O)c3cc(F)ccc3[O-])cc2o1 ZINC000436753212 237173644 /nfs/dbraw/zinc/17/36/44/237173644.db2.gz CVQVNICQFJKYQL-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1c(F)cccc1F ZINC000436761653 237178276 /nfs/dbraw/zinc/17/82/76/237178276.db2.gz MTQVZDUSQKFFKC-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM CN(C(=O)c1cncc([O-])c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297433720 200188498 /nfs/dbraw/zinc/18/84/98/200188498.db2.gz ZVHVKWJUJPQZPC-IAGOWNOFSA-N -1 1 296.370 3.196 20 0 CGADMM O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc([O-])cc1F ZINC000181227613 189291145 /nfs/dbraw/zinc/29/11/45/189291145.db2.gz ASILDMKNGZUSJT-QGZVFWFLSA-N -1 1 299.345 3.282 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCCC2(CC2)C1 ZINC000184108438 189376605 /nfs/dbraw/zinc/37/66/05/189376605.db2.gz RSJCAMFDARLEQE-UHFFFAOYSA-N -1 1 265.740 3.062 20 0 CGADMM CCc1cc(CCCSc2nc(CC)cc(=O)[n-]2)on1 ZINC000450907048 240147282 /nfs/dbraw/zinc/14/72/82/240147282.db2.gz JHGBOEVVYHSBMQ-UHFFFAOYSA-N -1 1 293.392 3.020 20 0 CGADMM CCC[C@@H](CC)[N-]S(=O)(=O)c1sccc1Cl ZINC000451123583 240223804 /nfs/dbraw/zinc/22/38/04/240223804.db2.gz AWWFTYQZYSFWMY-MRVPVSSYSA-N -1 1 281.830 3.259 20 0 CGADMM CCC1(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000451288755 240265287 /nfs/dbraw/zinc/26/52/87/240265287.db2.gz IRHRXWQABQYDEU-UHFFFAOYSA-N -1 1 297.351 3.040 20 0 CGADMM Cc1cccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000476281994 243004423 /nfs/dbraw/zinc/00/44/23/243004423.db2.gz ZYKFIFFOKQTAMX-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM O=C(NCc1ccc(Cl)c(Cl)c1)c1ncccc1[O-] ZINC000033816986 368967595 /nfs/dbraw/zinc/96/75/95/368967595.db2.gz FCXXZGQDDLXVAQ-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM CCCN(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000037097619 369061507 /nfs/dbraw/zinc/06/15/07/369061507.db2.gz WLHOGGBTXZBUHX-UHFFFAOYSA-N -1 1 253.729 3.060 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@H](C(C)(C)C)C[C@H]2C)c([O-])c1 ZINC000493106841 244098840 /nfs/dbraw/zinc/09/88/40/244098840.db2.gz PWIRVUABBFBQDN-OLZOCXBDSA-N -1 1 290.407 3.382 20 0 CGADMM CC(C)c1nc(=N[C@@H](C)CCCC(F)(F)F)o[n-]1 ZINC000493550746 244185460 /nfs/dbraw/zinc/18/54/60/244185460.db2.gz RMUORACYSBQUDE-QMMMGPOBSA-N -1 1 265.279 3.148 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000075910742 369920846 /nfs/dbraw/zinc/92/08/46/369920846.db2.gz QHDFJXMBDZCFLX-JTQLQIEISA-N -1 1 259.280 3.022 20 0 CGADMM Cc1ccsc1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000084079820 370010487 /nfs/dbraw/zinc/01/04/87/370010487.db2.gz COLFPJPMVVJPJI-UHFFFAOYSA-N -1 1 281.764 3.346 20 0 CGADMM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1cncc([O-])c1 ZINC000109041414 370359959 /nfs/dbraw/zinc/35/99/59/370359959.db2.gz IULPKFUVJGRKJM-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM [O-]c1cccc(CN2CCOc3ccccc32)c1Cl ZINC000512326137 245033201 /nfs/dbraw/zinc/03/32/01/245033201.db2.gz ZTSDFICZYMIQCN-UHFFFAOYSA-N -1 1 275.735 3.445 20 0 CGADMM C[C@H]1C[C@H](c2nc(-c3ccc([O-])cc3F)no2)CCC1=O ZINC000331599184 204001651 /nfs/dbraw/zinc/00/16/51/204001651.db2.gz CMFLHCUWHJKNOR-DTWKUNHWSA-N -1 1 290.294 3.054 20 0 CGADMM C[C@H]1C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCC1=O ZINC000331667535 204057803 /nfs/dbraw/zinc/05/78/03/204057803.db2.gz NIVPUWJZVMUKAP-WPRPVWTQSA-N -1 1 290.294 3.054 20 0 CGADMM CC[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000134976982 371381460 /nfs/dbraw/zinc/38/14/60/371381460.db2.gz GXTQNSFFTLOHEG-SECBINFHSA-N -1 1 298.180 3.027 20 0 CGADMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1c(F)ccc([O-])c1F ZINC000289644525 371781992 /nfs/dbraw/zinc/78/19/92/371781992.db2.gz XUIABBCONHYLPN-PWSUYJOCSA-N -1 1 295.329 3.369 20 0 CGADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)C1CCOCC1 ZINC000154776934 371878498 /nfs/dbraw/zinc/87/84/98/371878498.db2.gz BXWJFGVNCGPCCL-SECBINFHSA-N -1 1 283.755 3.047 20 0 CGADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc([O-])cc2F)C1 ZINC000154943007 371890999 /nfs/dbraw/zinc/89/09/99/371890999.db2.gz XRBMRQXEJGKJFN-CMPLNLGQSA-N -1 1 297.395 3.278 20 0 CGADMM C[C@@H]1CCCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000161147414 372306106 /nfs/dbraw/zinc/30/61/06/372306106.db2.gz FWJBOVJZVHGOCY-SECBINFHSA-N -1 1 298.180 3.169 20 0 CGADMM CC(C)c1nc(=NC[C@@H](c2ccccc2)C2CC2)o[n-]1 ZINC000431496467 372479929 /nfs/dbraw/zinc/47/99/29/372479929.db2.gz NQOYYUYYTCUOLC-AWEZNQCLSA-N -1 1 271.364 3.221 20 0 CGADMM C[C@@]1(C(=O)[O-])CCCN(Cc2cccc(Cl)c2F)C1 ZINC000167041750 372586763 /nfs/dbraw/zinc/58/67/63/372586763.db2.gz BTKKLRYRTAWXLI-CQSZACIVSA-N -1 1 285.746 3.166 20 0 CGADMM Cc1csc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000344558213 217231415 /nfs/dbraw/zinc/23/14/15/217231415.db2.gz MDYKIGYUPXTNCI-UHFFFAOYSA-N -1 1 299.355 3.405 20 0 CGADMM O=C(Nc1ncc(-c2ccccc2)s1)c1cncc([O-])c1 ZINC000171863041 372844375 /nfs/dbraw/zinc/84/43/75/372844375.db2.gz HEARXHNWHHBTGO-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM CC1(C)CCCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000438493052 372963972 /nfs/dbraw/zinc/96/39/72/372963972.db2.gz BUQZOKFUBCWTIT-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(F)(F)C1 ZINC000313315731 296195083 /nfs/dbraw/zinc/19/50/83/296195083.db2.gz KTXBRQNLFHXGPC-UHFFFAOYSA-N -1 1 277.270 3.027 20 0 CGADMM [O-]c1ccc(-c2nc(C3CC(F)(F)C3)no2)c(F)c1 ZINC000296329671 373091659 /nfs/dbraw/zinc/09/16/59/373091659.db2.gz GHAFPIFJPOBZJE-UHFFFAOYSA-N -1 1 270.210 3.094 20 0 CGADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1c1ccccc1 ZINC000174231045 373271364 /nfs/dbraw/zinc/27/13/64/373271364.db2.gz GVEOVPMDJLQCBK-UKRRQHHQSA-N -1 1 296.370 3.053 20 0 CGADMM CCCCCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301347389 373753931 /nfs/dbraw/zinc/75/39/31/373753931.db2.gz IMAVUVLPPQDNOG-UHFFFAOYSA-N -1 1 286.379 3.463 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC(C2CCC2)C1 ZINC000436863857 296206150 /nfs/dbraw/zinc/20/61/50/296206150.db2.gz JYJCTLRAAGYKCG-UHFFFAOYSA-N -1 1 299.292 3.283 20 0 CGADMM C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C)(F)F ZINC000449802475 373930852 /nfs/dbraw/zinc/93/08/52/373930852.db2.gz KYIRDQLYNBHQQI-MRVPVSSYSA-N -1 1 295.289 3.012 20 0 CGADMM Cc1cnc(CCCC(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000450291477 374044669 /nfs/dbraw/zinc/04/46/69/374044669.db2.gz FWEPYTPGRWKLHJ-UHFFFAOYSA-N -1 1 294.738 3.303 20 0 CGADMM C[C@H]1C[C@H](NC(=O)c2c(F)ccc([O-])c2F)C[C@@H](C)C1 ZINC000289516372 197385803 /nfs/dbraw/zinc/38/58/03/197385803.db2.gz OYOJFYRASBLCFN-MYJAWHEDSA-N -1 1 283.318 3.225 20 0 CGADMM O=C(NCc1ccc(Cl)cn1)c1ccc(Cl)cc1[O-] ZINC000182139565 374224720 /nfs/dbraw/zinc/22/47/20/374224720.db2.gz LYHQYKYNCCVUMX-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM CCOCc1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000277806070 193764339 /nfs/dbraw/zinc/76/43/39/193764339.db2.gz GGPJVMREUXQPNC-UHFFFAOYSA-N -1 1 298.726 3.031 20 0 CGADMM O=C([O-])CCC1CCN(Cc2c(F)cccc2F)CC1 ZINC000086756218 541941168 /nfs/dbraw/zinc/94/11/68/541941168.db2.gz JPTJXQYRATZLEY-UHFFFAOYSA-N -1 1 283.318 3.042 20 0 CGADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H]1CCCOC1 ZINC000332499527 374579080 /nfs/dbraw/zinc/57/90/80/374579080.db2.gz QUHMBVSYFBQBNH-OCCSQVGLSA-N -1 1 299.370 3.090 20 0 CGADMM C[C@H](CC(F)(F)F)N=c1[n-]c(C(F)(F)F)cs1 ZINC000463747766 374848809 /nfs/dbraw/zinc/84/88/09/374848809.db2.gz RCCWEQNNHDGQPC-SCSAIBSYSA-N -1 1 278.221 3.337 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H]1C1CC1 ZINC000334667042 374954474 /nfs/dbraw/zinc/95/44/74/374954474.db2.gz SUJKPKMRTMEBDE-HNNXBMFYSA-N -1 1 267.328 3.170 20 0 CGADMM Cn1ccc2cccc(NC(=O)c3ccccc3[O-])c21 ZINC000189000636 375307822 /nfs/dbraw/zinc/30/78/22/375307822.db2.gz DGSHODKXHZHMQB-UHFFFAOYSA-N -1 1 266.300 3.136 20 0 CGADMM CC(C)n1cnc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000335817410 375455912 /nfs/dbraw/zinc/45/59/12/375455912.db2.gz DUDHRSGTJOCCOZ-UHFFFAOYSA-N -1 1 279.727 3.075 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(F)cc1F ZINC000335933174 375549061 /nfs/dbraw/zinc/54/90/61/375549061.db2.gz NEZKLSPQQNRSHH-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM CO[C@H](C)c1nc(=NCC[C@H]2CCC[C@@H](C)C2)s[n-]1 ZINC000336810390 375962713 /nfs/dbraw/zinc/96/27/13/375962713.db2.gz ZTUAYCAILKFZAH-IJLUTSLNSA-N -1 1 283.441 3.296 20 0 CGADMM CCCc1occc1C(=O)Nc1ccc(F)cc1[O-] ZINC000336963785 376044333 /nfs/dbraw/zinc/04/43/33/376044333.db2.gz GZGDFKZNFMQLIV-UHFFFAOYSA-N -1 1 263.268 3.329 20 0 CGADMM CCc1cccc2c1N(C(=O)c1cc(F)ccc1[O-])CC2 ZINC000539840197 376341354 /nfs/dbraw/zinc/34/13/54/376341354.db2.gz IESLFRFOKLQWHN-UHFFFAOYSA-N -1 1 285.318 3.297 20 0 CGADMM CC(C)CCC[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000226267740 376348154 /nfs/dbraw/zinc/34/81/54/376348154.db2.gz SHQJFALQVCOQSP-NSHDSACASA-N -1 1 267.344 3.476 20 0 CGADMM O=C(Cc1cnc2ccccc2c1)Nc1c([O-])cccc1F ZINC000133132004 542078810 /nfs/dbraw/zinc/07/88/10/542078810.db2.gz UMTIPTKIHLHYBX-UHFFFAOYSA-N -1 1 296.301 3.261 20 0 CGADMM COCc1cccc(CSc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000540717642 376392844 /nfs/dbraw/zinc/39/28/44/376392844.db2.gz NNLPGLAVSUBSCC-UHFFFAOYSA-N -1 1 290.388 3.238 20 0 CGADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])c1ccsc1 ZINC000334300749 206333780 /nfs/dbraw/zinc/33/37/80/206333780.db2.gz VJOJMZJLBMNORV-QMMMGPOBSA-N -1 1 265.309 3.335 20 0 CGADMM CC1(C)CCC([N-]S(=O)(=O)c2sccc2F)CC1 ZINC000338912818 376569792 /nfs/dbraw/zinc/56/97/92/376569792.db2.gz MPHJWSBUPKIAGT-UHFFFAOYSA-N -1 1 291.413 3.134 20 0 CGADMM Cc1cc2cc(CNC3(C(=O)[O-])CCC3)oc2cc1C ZINC000340684148 377214857 /nfs/dbraw/zinc/21/48/57/377214857.db2.gz SSBQDYZBNXUFGL-UHFFFAOYSA-N -1 1 273.332 3.147 20 0 CGADMM CCC[C@@H](NC(=O)c1cncc([O-])c1)C1CCCCC1 ZINC000518457178 249281213 /nfs/dbraw/zinc/28/12/13/249281213.db2.gz NVCCDNNPYPGAMI-OAHLLOKOSA-N -1 1 276.380 3.266 20 0 CGADMM O=C(/C=C\c1cncc(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000255757423 377779862 /nfs/dbraw/zinc/77/98/62/377779862.db2.gz VAXCXQARGVOAKO-RJRFIUFISA-N -1 1 292.697 3.232 20 0 CGADMM C[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000263389201 377930688 /nfs/dbraw/zinc/93/06/88/377930688.db2.gz DTOHYRFJZYUJON-JTQLQIEISA-N -1 1 293.363 3.459 20 0 CGADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000263432304 377936080 /nfs/dbraw/zinc/93/60/80/377936080.db2.gz SPNWFNAVWYNTDZ-SNVBAGLBSA-N -1 1 293.363 3.459 20 0 CGADMM C[C@@H](CN(C)Cc1csc(Cl)c1Cl)C(=O)[O-] ZINC000263452315 377938971 /nfs/dbraw/zinc/93/89/71/377938971.db2.gz AFTWUHGMIZVUIO-LURJTMIESA-N -1 1 282.192 3.207 20 0 CGADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cccc(Cl)c1F ZINC000263455032 377939311 /nfs/dbraw/zinc/93/93/11/377939311.db2.gz APZVZQGYZFAKHI-ONGXEEELSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc(Cl)c1F ZINC000263455001 377939652 /nfs/dbraw/zinc/93/96/52/377939652.db2.gz APZVZQGYZFAKHI-GXSJLCMTSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1nc(-c2ccc(N[C@@H]3CC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000343808351 378099926 /nfs/dbraw/zinc/09/99/26/378099926.db2.gz NXOPPZMWSKUDIN-TVQRCGJNSA-N -1 1 284.363 3.071 20 0 CGADMM CC(C)CO[C@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000579792975 378194686 /nfs/dbraw/zinc/19/46/86/378194686.db2.gz IFFRBXOJQTWWQP-SECBINFHSA-N -1 1 280.299 3.315 20 0 CGADMM CCc1nc(SCCc2ccccc2)[n-]c(=O)c1C ZINC000582252638 378297425 /nfs/dbraw/zinc/29/74/25/378297425.db2.gz NFIDUVFTIAWJLB-UHFFFAOYSA-N -1 1 274.389 3.388 20 0 CGADMM C[C@H]1SCCN(Cc2c(Cl)cccc2C(=O)[O-])[C@@H]1C ZINC000582306482 378301628 /nfs/dbraw/zinc/30/16/28/378301628.db2.gz QVMPRHKKAWFADD-NXEZZACHSA-N -1 1 299.823 3.364 20 0 CGADMM CC(C)OCCS(=O)(=O)[N-]c1csc2ccccc12 ZINC000272194360 378582347 /nfs/dbraw/zinc/58/23/47/378582347.db2.gz FQGDEEXKBVQHDZ-UHFFFAOYSA-N -1 1 299.417 3.068 20 0 CGADMM CC[C@@H]1C[C@H](c2nc(-c3ccc([O-])cc3F)no2)CCO1 ZINC000278228078 379320860 /nfs/dbraw/zinc/32/08/60/379320860.db2.gz RMKDUHDWQHAJSR-MWLCHTKSSA-N -1 1 292.310 3.254 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CC3(Cl)Cl)n2)c(F)c1 ZINC000278329629 379350671 /nfs/dbraw/zinc/35/06/71/379350671.db2.gz ZLZBDNPACOZABE-SSDOTTSWSA-N -1 1 289.093 3.243 20 0 CGADMM CC[C@@H]1C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCO1 ZINC000350826478 379592176 /nfs/dbraw/zinc/59/21/76/379592176.db2.gz XACRBNWRGUBPHK-WDEREUQCSA-N -1 1 292.310 3.254 20 0 CGADMM COC1(Cc2nc(-c3ccc([O-])cc3Cl)no2)CCC1 ZINC000350580025 379564953 /nfs/dbraw/zinc/56/49/53/379564953.db2.gz OOBXYGPQJJXACT-UHFFFAOYSA-N -1 1 294.738 3.207 20 0 CGADMM CN(CC(C)(C)C)C(=O)N=c1[n-]sc2ccccc21 ZINC000640341144 379770205 /nfs/dbraw/zinc/77/02/05/379770205.db2.gz RUOLJNRIMBITON-UHFFFAOYSA-N -1 1 277.393 3.228 20 0 CGADMM CC1=C(C)CN(C(=O)N=c2[n-]sc3ccccc32)CC1 ZINC000640338945 379770717 /nfs/dbraw/zinc/77/07/17/379770717.db2.gz INOCDKFZWVWVDS-UHFFFAOYSA-N -1 1 287.388 3.292 20 0 CGADMM CC(C)[C@H]1CCCN1C(=O)N=c1[n-]sc2ccccc21 ZINC000640341044 379770765 /nfs/dbraw/zinc/77/07/65/379770765.db2.gz QQWNVQZVJZSXBX-GFCCVEGCSA-N -1 1 289.404 3.371 20 0 CGADMM CCO[C@H]1C[C@H](NCc2c(F)ccc(O)c2F)C12CCC2 ZINC000352570324 379862499 /nfs/dbraw/zinc/86/24/99/379862499.db2.gz FZDBSAFVNPDKRP-KBPBESRZSA-N -1 1 297.345 3.108 20 0 CGADMM CC[C@@H](CNC(=O)c1cc(F)ccc1[O-])CC(F)(F)F ZINC000402477032 379965966 /nfs/dbraw/zinc/96/59/66/379965966.db2.gz MQOJYFVWVUEYDL-MRVPVSSYSA-N -1 1 293.260 3.240 20 0 CGADMM CC(C)=CCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000283797274 380091359 /nfs/dbraw/zinc/09/13/59/380091359.db2.gz GJCGRVAIFWAXLI-UHFFFAOYSA-N -1 1 280.393 3.122 20 0 CGADMM CCCc1nc(C(=O)Nc2ccc([O-])c(Cl)c2)co1 ZINC000353992676 380268998 /nfs/dbraw/zinc/26/89/98/380268998.db2.gz KHMSKFAUZSQQPY-UHFFFAOYSA-N -1 1 280.711 3.238 20 0 CGADMM CC[C@@H](NCc1ccc(-c2ccc(F)cc2C)o1)C(=O)[O-] ZINC000414670905 380362490 /nfs/dbraw/zinc/36/24/90/380362490.db2.gz AAFHXCAOWWGMJW-CQSZACIVSA-N -1 1 291.322 3.347 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1c[nH]c(C(F)(F)F)c1 ZINC000645926869 380780704 /nfs/dbraw/zinc/78/07/04/380780704.db2.gz FAMGEPDKZDRFNV-UHFFFAOYSA-N -1 1 288.200 3.131 20 0 CGADMM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cncc([O-])c3)C2)cc1 ZINC000279262699 194357344 /nfs/dbraw/zinc/35/73/44/194357344.db2.gz MLAKMRIPWYQTGF-CJNGLKHVSA-N -1 1 296.370 3.114 20 0 CGADMM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361398201 381730904 /nfs/dbraw/zinc/73/09/04/381730904.db2.gz QYMZAKHELPLGRQ-QWHCGFSZSA-N -1 1 285.347 3.013 20 0 CGADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000188237885 533055448 /nfs/dbraw/zinc/05/54/48/533055448.db2.gz XSCIQKQSTHTMDJ-UHFFFAOYSA-N -1 1 297.376 3.348 20 0 CGADMM CC(=O)[C@H]1C[C@@H](CC(=O)Nc2ccc(F)cc2[O-])C1(C)C ZINC000353868761 220376975 /nfs/dbraw/zinc/37/69/75/220376975.db2.gz GPVCSFYGSPIISJ-CMPLNLGQSA-N -1 1 293.338 3.111 20 0 CGADMM CC[C@@](C)(OC)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289061511 197224100 /nfs/dbraw/zinc/22/41/00/197224100.db2.gz LPMGTAJLYQYTKO-CYBMUJFWSA-N -1 1 282.727 3.367 20 0 CGADMM Cc1ccc(C(F)(F)C(=O)[N-][C@@H](C)C(F)(F)F)cc1 ZINC000288757328 197159210 /nfs/dbraw/zinc/15/92/10/197159210.db2.gz ZSKXKPLTNPXUPY-QMMMGPOBSA-N -1 1 281.224 3.154 20 0 CGADMM COc1ccc(-c2nc(-c3ccoc3C)no2)c([O-])c1 ZINC000165729681 533190394 /nfs/dbraw/zinc/19/03/94/533190394.db2.gz BDESOCOUPFCROT-UHFFFAOYSA-N -1 1 272.260 3.019 20 0 CGADMM CN(C(=O)c1cc2ccccc2cc1[O-])[C@@H]1CCSC1 ZINC000036819335 391976762 /nfs/dbraw/zinc/97/67/62/391976762.db2.gz XQNBOWYQCMEFJT-CYBMUJFWSA-N -1 1 287.384 3.123 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1cccc(F)c1 ZINC000051361366 392069582 /nfs/dbraw/zinc/06/95/82/392069582.db2.gz FLAYHORJEYQALE-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])[C@H](C)C1 ZINC000051746439 392073577 /nfs/dbraw/zinc/07/35/77/392073577.db2.gz WINJTWCBIVYWHC-NXEZZACHSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCCSCC1 ZINC000048896338 392023904 /nfs/dbraw/zinc/02/39/04/392023904.db2.gz OCSDRBOGFAXIPR-UHFFFAOYSA-N -1 1 287.384 3.125 20 0 CGADMM CSCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000069455975 392174756 /nfs/dbraw/zinc/17/47/56/392174756.db2.gz WRDXZNRORAOINW-UHFFFAOYSA-N -1 1 275.373 3.028 20 0 CGADMM COc1cc(C(=O)Nc2cccc(O)c2)cc(Cl)c1[O-] ZINC000153474255 392519465 /nfs/dbraw/zinc/51/94/65/392519465.db2.gz JINBTZVVGLUZLY-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1ccoc1C(F)(F)F ZINC000291816502 392488155 /nfs/dbraw/zinc/48/81/55/392488155.db2.gz SACLJLSWSAGPDL-UHFFFAOYSA-N -1 1 288.225 3.410 20 0 CGADMM CO[C@H](C)c1nc(=NC[C@@H]2CCC[C@@H](C)[C@H]2C)s[n-]1 ZINC000509857259 392775080 /nfs/dbraw/zinc/77/50/80/392775080.db2.gz ZSEPZEXYELRXNC-KKOKHZNYSA-N -1 1 283.441 3.152 20 0 CGADMM C[C@H](NCc1cccc([O-])c1Cl)c1nccs1 ZINC000393250776 392931458 /nfs/dbraw/zinc/93/14/58/392931458.db2.gz WZJMBVMZBKJPDF-QMMMGPOBSA-N -1 1 268.769 3.353 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc3c(c2)CCC3)n1 ZINC000195067964 392954085 /nfs/dbraw/zinc/95/40/85/392954085.db2.gz XEGRAFDEKJEUKZ-UHFFFAOYSA-N -1 1 286.400 3.113 20 0 CGADMM CC(C)[C@H]1CN(C(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC000278305704 393317325 /nfs/dbraw/zinc/31/73/25/393317325.db2.gz JQXVRYQQGQSQPP-OAHLLOKOSA-N -1 1 297.354 3.498 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000646412959 393280623 /nfs/dbraw/zinc/28/06/23/393280623.db2.gz KFVHSIIMUJJTSJ-KOLCDFICSA-N -1 1 279.384 3.215 20 0 CGADMM Cc1csc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)c1 ZINC000647278601 393422319 /nfs/dbraw/zinc/42/23/19/393422319.db2.gz NDGCBDHFFBDGIW-UHFFFAOYSA-N -1 1 299.421 3.012 20 0 CGADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000443396414 393755714 /nfs/dbraw/zinc/75/57/14/393755714.db2.gz ASVSGJOFCXXQMK-UHFFFAOYSA-N -1 1 295.335 3.025 20 0 CGADMM CC(C)(c1nc(-c2ccc([O-])cc2F)no1)c1cccnc1 ZINC000445456343 393796397 /nfs/dbraw/zinc/79/63/97/393796397.db2.gz NWFVOFYHMCLXSJ-UHFFFAOYSA-N -1 1 299.305 3.302 20 0 CGADMM [O-]c1ccc(-c2noc(Cc3ccccc3F)n2)c(F)c1 ZINC000445460723 393796730 /nfs/dbraw/zinc/79/67/30/393796730.db2.gz COAPYUFCUKKLPX-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM CCC[C@@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445464461 393797888 /nfs/dbraw/zinc/79/78/88/393797888.db2.gz SZMJTTKNYGAVRH-MRVPVSSYSA-N -1 1 250.273 3.485 20 0 CGADMM CCC[C@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483496 393798588 /nfs/dbraw/zinc/79/85/88/393798588.db2.gz WKFDXHUTDYCBGJ-QMMMGPOBSA-N -1 1 250.273 3.485 20 0 CGADMM Cc1ccncc1/C=C\c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445479117 393798931 /nfs/dbraw/zinc/79/89/31/393798931.db2.gz FKCIOKGNIZJVID-HYXAFXHYSA-N -1 1 297.289 3.455 20 0 CGADMM CC[C@@]1(C)C[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483855 393800034 /nfs/dbraw/zinc/80/00/34/393800034.db2.gz VPQAIUAIDHVQAP-XPTSAGLGSA-N -1 1 262.284 3.485 20 0 CGADMM [O-]c1ccc(-c2noc(Cc3ccccc3F)n2)cc1F ZINC000445485342 393800204 /nfs/dbraw/zinc/80/02/04/393800204.db2.gz ZKCLQSIYGRYVDU-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCc2csc(C)n2)n1 ZINC000502318856 393872834 /nfs/dbraw/zinc/87/28/34/393872834.db2.gz MYOQXDSYRKNZMB-UHFFFAOYSA-N -1 1 295.433 3.234 20 0 CGADMM COc1ccc(C(=O)N2CC(C)(C)c3ccccc32)c([O-])c1 ZINC000675114345 543315863 /nfs/dbraw/zinc/31/58/63/543315863.db2.gz QEJUMVPRXMKHGL-UHFFFAOYSA-N -1 1 297.354 3.339 20 0 CGADMM C[C@H]1CC[C@@H](CC(=O)Nc2c([O-])cccc2F)C1 ZINC000675228279 543323815 /nfs/dbraw/zinc/32/38/15/543323815.db2.gz OETGGJPWKLRAEE-VHSXEESVSA-N -1 1 251.301 3.296 20 0 CGADMM CCC(CC)(CC)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000675514800 543345055 /nfs/dbraw/zinc/34/50/55/543345055.db2.gz KHDYEWQRHGYYPU-UHFFFAOYSA-N -1 1 287.367 3.022 20 0 CGADMM O=C(CNc1ccccc1Cl)Nc1ccc(F)cc1[O-] ZINC000676054965 543379899 /nfs/dbraw/zinc/37/98/99/543379899.db2.gz BDYSTVYURIRINL-UHFFFAOYSA-N -1 1 294.713 3.235 20 0 CGADMM COc1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000416321011 286199810 /nfs/dbraw/zinc/19/98/10/286199810.db2.gz QFMUMUPVWORYCU-IVZWLZJFSA-N -1 1 297.782 3.171 20 0 CGADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H](C)S1 ZINC000070387726 286989078 /nfs/dbraw/zinc/98/90/78/286989078.db2.gz HAMGHBKRKPKQMQ-IUCAKERBSA-N -1 1 285.796 3.012 20 0 CGADMM CN(CCCc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000080011994 287062409 /nfs/dbraw/zinc/06/24/09/287062409.db2.gz GATDIFVOJOKDFN-UHFFFAOYSA-N -1 1 287.334 3.236 20 0 CGADMM COc1ccsc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082192808 165168937 /nfs/dbraw/zinc/16/89/37/165168937.db2.gz IIHKIFPBKJXGIH-UHFFFAOYSA-N -1 1 283.736 3.368 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(Cl)c[nH]1 ZINC000082192587 165169049 /nfs/dbraw/zinc/16/90/49/165169049.db2.gz QVKSHSDACNGFGI-UHFFFAOYSA-N -1 1 271.103 3.279 20 0 CGADMM CN(CCCC(=O)[O-])Cc1cc(Cl)ccc1Cl ZINC000087761513 165191711 /nfs/dbraw/zinc/19/17/11/165191711.db2.gz HWWMZMKEZXLEAI-UHFFFAOYSA-N -1 1 276.163 3.290 20 0 CGADMM O=C(NC[C@@H]1CCCS1)c1ccc2ccccc2c1[O-] ZINC000124043311 287228824 /nfs/dbraw/zinc/22/88/24/287228824.db2.gz DLMZVNKRVMOPEN-LBPRGKRZSA-N -1 1 287.384 3.171 20 0 CGADMM O=C(NC[C@H]1CCCS1)c1ccc2ccccc2c1[O-] ZINC000124043480 287229033 /nfs/dbraw/zinc/22/90/33/287229033.db2.gz DLMZVNKRVMOPEN-GFCCVEGCSA-N -1 1 287.384 3.171 20 0 CGADMM O=C(Nc1ccccc1)c1cc(Br)ccc1[O-] ZINC000006096837 170176109 /nfs/dbraw/zinc/17/61/09/170176109.db2.gz RIFLOVCLRMLWFW-UHFFFAOYSA-N -1 1 292.132 3.407 20 0 CGADMM CN(Cc1cccc(F)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000020293401 171134052 /nfs/dbraw/zinc/13/40/52/171134052.db2.gz RHRKJEYOSHUTNG-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM O=C(Nc1ccccc1Cl)c1cc(F)ccc1[O-] ZINC000128597034 287314394 /nfs/dbraw/zinc/31/43/94/287314394.db2.gz VSEOLYFRRQKRFF-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM Cc1cccc(NC(=O)c2cc(F)ccc2[O-])c1C ZINC000128602772 287314719 /nfs/dbraw/zinc/31/47/19/287314719.db2.gz UPSHTRAMEZWHOA-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM C[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc([O-])cc1F ZINC000308733485 287320483 /nfs/dbraw/zinc/32/04/83/287320483.db2.gz WLOXNMGQUQRDBZ-BMIGLBTASA-N -1 1 265.328 3.230 20 0 CGADMM CC1(C)CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000075235624 176676295 /nfs/dbraw/zinc/67/62/95/176676295.db2.gz RESVIZPCKWEOAX-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM C[C@@H]1CN(Cc2cc(F)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000311500550 416531813 /nfs/dbraw/zinc/53/18/13/416531813.db2.gz YEYATQSPQHZPLJ-BXKDBHETSA-N -1 1 285.746 3.022 20 0 CGADMM COCc1cccc(-c2nc3cccc(C)c3c(=O)[n-]2)c1 ZINC000340096882 416540684 /nfs/dbraw/zinc/54/06/84/416540684.db2.gz ZGDNMUUPCHWOKT-UHFFFAOYSA-N -1 1 280.327 3.457 20 0 CGADMM CC[C@@H]1CN(Cc2cccc([O-])c2Cl)[C@@H](C)CO1 ZINC000403755401 416549446 /nfs/dbraw/zinc/54/94/46/416549446.db2.gz DDKQZXJALQTVCH-CMPLNLGQSA-N -1 1 269.772 3.045 20 0 CGADMM O=C([O-])C[C@@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC000124451839 416507309 /nfs/dbraw/zinc/50/73/09/416507309.db2.gz ZPHCLQORUSDTBX-LBPRGKRZSA-N -1 1 285.746 3.308 20 0 CGADMM CCOc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681015790 543756364 /nfs/dbraw/zinc/75/63/64/543756364.db2.gz RAECNXLHSPAHFB-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM CN(Cc1ccccc1Cl)C(=O)c1ccc([O-])c(F)c1 ZINC000681014111 543756452 /nfs/dbraw/zinc/75/64/52/543756452.db2.gz AAKHNFDYMDNNLW-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccc([O-])c(F)c2)o1 ZINC000681017765 543757772 /nfs/dbraw/zinc/75/77/72/543757772.db2.gz AWMUGOIHJJOCEN-JOYOIKCWSA-N -1 1 289.306 3.178 20 0 CGADMM CSc1ccc(CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681023974 543758219 /nfs/dbraw/zinc/75/82/19/543758219.db2.gz FVEFGTMQTZLAFM-UHFFFAOYSA-N -1 1 291.347 3.183 20 0 CGADMM CCCCN(CC(F)(F)F)C(=O)c1ccc([O-])c(F)c1 ZINC000681020882 543758940 /nfs/dbraw/zinc/75/89/40/543758940.db2.gz FLWHJZMAMYRPCX-UHFFFAOYSA-N -1 1 293.260 3.336 20 0 CGADMM CC(C)C[C@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681037677 543759359 /nfs/dbraw/zinc/75/93/59/543759359.db2.gz NYPLSWKLZPDSAD-GFCCVEGCSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1ccc(CC[C@H](C)NC(=O)c2ccc([O-])c(F)c2)o1 ZINC000681051025 543761212 /nfs/dbraw/zinc/76/12/12/543761212.db2.gz XYXIJZINQAXCKF-JTQLQIEISA-N -1 1 291.322 3.184 20 0 CGADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1c([O-])cccc1F ZINC000681121853 543769333 /nfs/dbraw/zinc/76/93/33/543769333.db2.gz QDCTVPIACRYHER-ZJUUUORDSA-N -1 1 251.301 3.296 20 0 CGADMM COc1ccc2[nH]c(NC(=O)c3ccccc3[O-])cc2c1 ZINC000683358518 543910536 /nfs/dbraw/zinc/91/05/36/543910536.db2.gz VEQMGJUXDCKSMD-UHFFFAOYSA-N -1 1 282.299 3.134 20 0 CGADMM CN(C(=O)c1ccc([O-])c(F)c1)c1ccc2cc[nH]c2c1 ZINC000684338190 543981751 /nfs/dbraw/zinc/98/17/51/543981751.db2.gz SDOZTPKBQNMXSF-UHFFFAOYSA-N -1 1 284.290 3.289 20 0 CGADMM CC1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCC1 ZINC000684877733 544035005 /nfs/dbraw/zinc/03/50/05/544035005.db2.gz WHTYFOWSCJWJES-UHFFFAOYSA-N -1 1 273.254 3.083 20 0 CGADMM O=C(NCc1ccccc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868893 544035240 /nfs/dbraw/zinc/03/52/40/544035240.db2.gz IZBCJPBFAKTGTQ-UHFFFAOYSA-N -1 1 295.260 3.341 20 0 CGADMM CSc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000192662065 227261026 /nfs/dbraw/zinc/26/10/26/227261026.db2.gz QPMZXXUQWJELPW-UHFFFAOYSA-N -1 1 275.329 3.072 20 0 CGADMM CCCCc1nc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)cs1 ZINC000652496971 418976217 /nfs/dbraw/zinc/97/62/17/418976217.db2.gz HRUWVQMRTIGUSS-AAEUAGOBSA-N -1 1 296.436 3.028 20 0 CGADMM CCN(Cc1ccoc1)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000652408259 418962564 /nfs/dbraw/zinc/96/25/64/418962564.db2.gz QWXOCEOIYWXHDB-NSHDSACASA-N -1 1 277.320 3.462 20 0 CGADMM CCCC[C@H](CC)CCNCc1nocc1C(=O)[O-] ZINC000653508119 419039083 /nfs/dbraw/zinc/03/90/83/419039083.db2.gz YMRQTQQTWVKVIH-NSHDSACASA-N -1 1 268.357 3.069 20 0 CGADMM [O-]c1ccc(-c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)c(F)c1 ZINC000656046951 419135668 /nfs/dbraw/zinc/13/56/68/419135668.db2.gz CUEKYAWUKBNQTF-UISBYWKRSA-N -1 1 274.295 3.485 20 0 CGADMM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000665666712 419146442 /nfs/dbraw/zinc/14/64/42/419146442.db2.gz FQIMLTONCHAJHR-AAEUAGOBSA-N -1 1 279.355 3.476 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CNCc2cccc(C(=O)[O-])c2)o1 ZINC000666573412 419226873 /nfs/dbraw/zinc/22/68/73/419226873.db2.gz MVZZDENIBGSXQL-ABAIWWIYSA-N -1 1 285.343 3.391 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H](c2ccccc2)C1 ZINC000080022355 260177411 /nfs/dbraw/zinc/17/74/11/260177411.db2.gz DOUDROQULBRFQO-ZDUSSCGKSA-N -1 1 285.318 3.161 20 0 CGADMM COC1(CCNC(=O)c2cc3ccccc3cc2[O-])CCC1 ZINC000319868573 262376312 /nfs/dbraw/zinc/37/63/12/262376312.db2.gz WFWCLGKIAJXKKV-UHFFFAOYSA-N -1 1 299.370 3.234 20 0 CGADMM CCOCc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000102274993 270044949 /nfs/dbraw/zinc/04/49/49/270044949.db2.gz GNYFRAPNNKLGIF-UHFFFAOYSA-N -1 1 271.316 3.181 20 0 CGADMM Cc1cc(C)cc([C@H]2CCN(C(=O)c3cncc([O-])c3)C2)c1 ZINC000182914639 270054685 /nfs/dbraw/zinc/05/46/85/270054685.db2.gz VRAOUHKWXFYPLB-AWEZNQCLSA-N -1 1 296.370 3.034 20 0 CGADMM CC(C)CC[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000228834387 270087938 /nfs/dbraw/zinc/08/79/38/270087938.db2.gz LCGKNIDJYOEMFK-JTQLQIEISA-N -1 1 253.317 3.086 20 0 CGADMM CC1(CNC(=O)c2ccc([O-])cc2F)CCCCC1 ZINC000229789766 270088652 /nfs/dbraw/zinc/08/86/52/270088652.db2.gz CTLMGCCNTHQZOS-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM C[C@@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)C(C)(C)C ZINC000522410353 270106006 /nfs/dbraw/zinc/10/60/06/270106006.db2.gz UJKPYUUIJNDKJC-VIFPVBQESA-N -1 1 277.393 3.181 20 0 CGADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])C1CCCCC1 ZINC000530039461 270193746 /nfs/dbraw/zinc/19/37/46/270193746.db2.gz OUXCGHYTABBHNG-LBPRGKRZSA-N -1 1 276.380 3.076 20 0 CGADMM C[C@@H]1CSC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000397826181 288031643 /nfs/dbraw/zinc/03/16/43/288031643.db2.gz BBUDGBAYRAACLL-QMTHXVAHSA-N -1 1 287.384 3.027 20 0 CGADMM CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](CC)O1 ZINC000398647829 288047097 /nfs/dbraw/zinc/04/70/97/288047097.db2.gz AJPFCZKOUDQMLM-RYUDHWBXSA-N -1 1 297.782 3.075 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@@H](C)[C@H]1C ZINC000399559553 288052485 /nfs/dbraw/zinc/05/24/85/288052485.db2.gz LACZQSFERNWPGP-UTLUCORTSA-N -1 1 267.756 3.162 20 0 CGADMM CC1CCC(OCC(=O)Nc2cccc(F)c2[O-])CC1 ZINC000530004099 288280817 /nfs/dbraw/zinc/28/08/17/288280817.db2.gz AKDVGBFQPBKFIN-UHFFFAOYSA-N -1 1 281.327 3.065 20 0 CGADMM O=C(CC1CCCCC1)Nc1cccc(F)c1[O-] ZINC000530004656 288281060 /nfs/dbraw/zinc/28/10/60/288281060.db2.gz CQUPAGCDAAEGHG-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM CCn1c(C)cc(C(=O)Nc2cccc(F)c2[O-])c1C ZINC000530007228 288282548 /nfs/dbraw/zinc/28/25/48/288282548.db2.gz RSQZCVUAXABVDT-UHFFFAOYSA-N -1 1 276.311 3.222 20 0 CGADMM CC1(C)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180506322 280987377 /nfs/dbraw/zinc/98/73/77/280987377.db2.gz YINAMJXKGQHNPS-UHFFFAOYSA-N -1 1 287.281 3.426 20 0 CGADMM Cc1cccc2nc(-c3ccc4c(c3)OCO4)[n-]c(=O)c12 ZINC000356327909 281316009 /nfs/dbraw/zinc/31/60/09/281316009.db2.gz QKPRQSBMCMJRDH-UHFFFAOYSA-N -1 1 280.283 3.040 20 0 CGADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000531009167 288324107 /nfs/dbraw/zinc/32/41/07/288324107.db2.gz FFZNICQRKXMRPP-AULYBMBSSA-N -1 1 293.388 3.290 20 0 CGADMM C[C@@H]1c2ccccc2CCN1C(=O)c1cc(F)ccc1[O-] ZINC000094123276 289075147 /nfs/dbraw/zinc/07/51/47/289075147.db2.gz MUIKRLQGWKNPOB-LLVKDONJSA-N -1 1 285.318 3.291 20 0 CGADMM CC1(C)CCC[C@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000561986597 289665358 /nfs/dbraw/zinc/66/53/58/289665358.db2.gz LDLSXWCAHYYIAI-VIFPVBQESA-N -1 1 283.318 3.369 20 0 CGADMM Cc1cnc(C(=O)N([C@@H](C)c2ccccc2)C2CC2)c([O-])c1 ZINC000342692831 302331511 /nfs/dbraw/zinc/33/15/11/302331511.db2.gz RRDJEXDEKSYFMT-ZDUSSCGKSA-N -1 1 296.370 3.461 20 0 CGADMM COc1cc(C)cnc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436723437 533696738 /nfs/dbraw/zinc/69/67/38/533696738.db2.gz NWMWERBPMIEKNJ-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM O=C([O-])CC1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000164540565 321902118 /nfs/dbraw/zinc/90/21/18/321902118.db2.gz NAZSVXMVOJPHFL-UHFFFAOYSA-N -1 1 285.746 3.166 20 0 CGADMM C[C@@H](c1ccc(F)cc1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405361887 321971281 /nfs/dbraw/zinc/97/12/81/321971281.db2.gz PRHJOBAMMVBLNS-GWCFXTLKSA-N -1 1 295.329 3.213 20 0 CGADMM C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000563886746 322014252 /nfs/dbraw/zinc/01/42/52/322014252.db2.gz XTCUETPCXKZNFB-GYSYKLTISA-N -1 1 281.783 3.444 20 0 CGADMM C[C@@H]1[C@H](C)SCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000565103132 322059912 /nfs/dbraw/zinc/05/99/12/322059912.db2.gz JVKBVNIUAYAZPL-ZJUUUORDSA-N -1 1 299.823 3.364 20 0 CGADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000565692118 322087030 /nfs/dbraw/zinc/08/70/30/322087030.db2.gz UNJCPDGUACJGRG-HZMBPMFUSA-N -1 1 279.355 3.476 20 0 CGADMM O=C([O-])c1ccc(CNCc2cnc(C3CC3)s2)cc1 ZINC000566666073 322133660 /nfs/dbraw/zinc/13/36/60/322133660.db2.gz RWQFRMNYMOXFBZ-UHFFFAOYSA-N -1 1 288.372 3.009 20 0 CGADMM CCc1nc(SCc2ccc(Cl)cn2)[n-]c(=O)c1C ZINC000567124858 322151381 /nfs/dbraw/zinc/15/13/81/322151381.db2.gz UZUOBNXOQFXBIY-UHFFFAOYSA-N -1 1 295.795 3.394 20 0 CGADMM Cc1nsc(C)c1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000567750536 322176045 /nfs/dbraw/zinc/17/60/45/322176045.db2.gz AZVOHDYHYMVFBE-UHFFFAOYSA-N -1 1 293.417 3.425 20 0 CGADMM C[N@@H+](CCCCc1ccccc1)Cc1ccc(C(=O)[O-])cn1 ZINC000568520591 322212391 /nfs/dbraw/zinc/21/23/91/322212391.db2.gz HUVALKLMGHHWJT-UHFFFAOYSA-N -1 1 298.386 3.235 20 0 CGADMM O=C([O-])C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000568604894 322215349 /nfs/dbraw/zinc/21/53/49/322215349.db2.gz HFWFFTSUXOAGHD-LLVKDONJSA-N -1 1 299.773 3.208 20 0 CGADMM Cc1cc(CN2CCc3ccccc3[C@H]2C)oc1C(=O)[O-] ZINC000568772168 322222286 /nfs/dbraw/zinc/22/22/86/322222286.db2.gz OFKIUBXYTLKONP-GFCCVEGCSA-N -1 1 285.343 3.406 20 0 CGADMM O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1cncc([O-])c1 ZINC000582317569 328960405 /nfs/dbraw/zinc/96/04/05/328960405.db2.gz XSZNJUKDLSMDDB-ZBFHGGJFSA-N -1 1 296.370 3.243 20 0 CGADMM Cc1occc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350829679 335538151 /nfs/dbraw/zinc/53/81/51/335538151.db2.gz AUYFRJHVEJDCPP-UHFFFAOYSA-N -1 1 260.224 3.150 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C[C@@H]1C ZINC000579776242 335881433 /nfs/dbraw/zinc/88/14/33/335881433.db2.gz CUJMKOOBXKJNOE-KXUCPTDWSA-N -1 1 283.318 3.225 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2nc3ccccc3[nH]2)[n-]1 ZINC000195081839 336044564 /nfs/dbraw/zinc/04/45/64/336044564.db2.gz DXDWBKBDVIEVNR-UHFFFAOYSA-N -1 1 298.371 3.228 20 0 CGADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000162940525 533807502 /nfs/dbraw/zinc/80/75/02/533807502.db2.gz JIRFCQCEGCEXFQ-NWDGAFQWSA-N -1 1 269.344 3.416 20 0 CGADMM C[C@@H](CNC(=O)c1cc(F)ccc1[O-])Cc1cccs1 ZINC000436591764 534034363 /nfs/dbraw/zinc/03/43/63/534034363.db2.gz YCUCSFMTLUVCDE-SNVBAGLBSA-N -1 1 293.363 3.201 20 0 CGADMM COC(=O)c1cnc(/C=C\c2ccc([O-])c(Cl)c2)s1 ZINC000436723875 534305526 /nfs/dbraw/zinc/30/55/26/534305526.db2.gz PHLCFEJPUWNNTD-HYXAFXHYSA-N -1 1 295.747 3.459 20 0 CGADMM Cc1ccoc1CN[C@H](C(=O)[O-])C(C1CCC1)C1CCC1 ZINC000417663380 534450371 /nfs/dbraw/zinc/45/03/71/534450371.db2.gz WLZNWJOOLZGOSR-INIZCTEOSA-N -1 1 291.391 3.347 20 0 CGADMM O=C([O-])C[C@@H](NCc1ccc(F)c(F)c1)c1ccsc1 ZINC000426696693 534502641 /nfs/dbraw/zinc/50/26/41/534502641.db2.gz SXJFMFAUTKZYEV-CYBMUJFWSA-N -1 1 297.326 3.332 20 0 CGADMM O=C([O-])c1coc(CNCc2csc3ccccc23)c1 ZINC000426700207 534550457 /nfs/dbraw/zinc/55/04/57/534550457.db2.gz OUCJSISBFMTKDQ-UHFFFAOYSA-N -1 1 287.340 3.482 20 0 CGADMM CO[C@@H](C)c1nc(=NCC2(CC(C)C)CCC2)s[n-]1 ZINC000337880437 523457140 /nfs/dbraw/zinc/45/71/40/523457140.db2.gz UFRYZTPGBZZTJI-NSHDSACASA-N -1 1 283.441 3.296 20 0 CGADMM O=C(Nc1ccc(Cl)cc1O)c1cc(F)ccc1[O-] ZINC000436739179 534830350 /nfs/dbraw/zinc/83/03/50/534830350.db2.gz NELUSZRVBOIXMC-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM CC(C)(NC(=O)c1c([O-])cccc1F)c1cccs1 ZINC000437005092 527283108 /nfs/dbraw/zinc/28/31/08/527283108.db2.gz WGYZCSLCTLSDIF-UHFFFAOYSA-N -1 1 279.336 3.258 20 0 CGADMM CC(C)=CCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436997869 527441170 /nfs/dbraw/zinc/44/11/70/527441170.db2.gz JCWIGRDYHOZZHO-UHFFFAOYSA-N -1 1 273.254 3.107 20 0 CGADMM CCO[C@@H](CCNC(=O)c1ccc(Cl)cc1[O-])C(C)C ZINC000436584456 527727311 /nfs/dbraw/zinc/72/73/11/527727311.db2.gz JEIFIGPYNYNUTD-AWEZNQCLSA-N -1 1 299.798 3.227 20 0 CGADMM CCC[C@@H]1C[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436658102 527867949 /nfs/dbraw/zinc/86/79/49/527867949.db2.gz NJUQSJSOXAGARG-PSASIEDQSA-N -1 1 262.284 3.485 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccc(N(C)C)cn2)c([O-])c1 ZINC000436742708 528079168 /nfs/dbraw/zinc/07/91/68/528079168.db2.gz XEGANKOKXYBBFP-UHFFFAOYSA-N -1 1 299.374 3.229 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cnn(C(F)F)c2)c([O-])c1 ZINC000436771463 528081650 /nfs/dbraw/zinc/08/16/50/528081650.db2.gz VTGMAPYKPBEPHL-UHFFFAOYSA-N -1 1 295.289 3.360 20 0 CGADMM CC1=C[C@H](C)CN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436996910 528138647 /nfs/dbraw/zinc/13/86/47/528138647.db2.gz LVGQOGKMIUJFSP-VIFPVBQESA-N -1 1 265.740 3.084 20 0 CGADMM CC1CCC(C)(NC(=O)c2c([O-])cccc2F)CC1 ZINC000436949757 528172624 /nfs/dbraw/zinc/17/26/24/528172624.db2.gz ZEGFACYTRPUIKH-UHFFFAOYSA-N -1 1 265.328 3.230 20 0 CGADMM CCCCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000132812804 528214033 /nfs/dbraw/zinc/21/40/33/528214033.db2.gz BXOUJWYQOAAZSR-UHFFFAOYSA-N -1 1 286.169 3.075 20 0 CGADMM CCN(CC1CCC1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436922072 528344529 /nfs/dbraw/zinc/34/45/29/528344529.db2.gz WELKYHDVTUXSHA-UHFFFAOYSA-N -1 1 297.782 3.316 20 0 CGADMM CC(C)C[C@H]1CCCCCN1C(=O)c1ncccc1[O-] ZINC000127482761 528583372 /nfs/dbraw/zinc/58/33/72/528583372.db2.gz XAPCRSOACCAQNM-CYBMUJFWSA-N -1 1 276.380 3.218 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(C)c(Cl)c2)c1=O ZINC000104742333 529193138 /nfs/dbraw/zinc/19/31/38/529193138.db2.gz HXRVCCXIYLCGKS-LLVKDONJSA-N -1 1 250.729 3.397 20 0 CGADMM CCc1cc(=O)[n-]c(SC2CC(OC(C)(C)C)C2)n1 ZINC000450915193 536155053 /nfs/dbraw/zinc/15/50/53/536155053.db2.gz ZAVVRNLXTLRECY-UHFFFAOYSA-N -1 1 282.409 3.183 20 0 CGADMM CC(C)(C)SCCNC(=O)c1c([O-])cccc1Cl ZINC000727489388 571751544 /nfs/dbraw/zinc/75/15/44/571751544.db2.gz VZVCWTNVHUXGMS-UHFFFAOYSA-N -1 1 287.812 3.307 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)c1cccc(O)c1 ZINC000738957135 572397860 /nfs/dbraw/zinc/39/78/60/572397860.db2.gz HZPYMLFKVZLHOW-JTQLQIEISA-N -1 1 289.331 3.185 20 0 CGADMM O=C(c1ncccc1[O-])N1CCC(C2CCCCC2)CC1 ZINC000725886932 572479675 /nfs/dbraw/zinc/47/96/75/572479675.db2.gz VQJZJROCJJFUGO-UHFFFAOYSA-N -1 1 288.391 3.220 20 0 CGADMM CCCCSCC(=O)Nc1c([O-])cccc1F ZINC000743415798 572658504 /nfs/dbraw/zinc/65/85/04/572658504.db2.gz LNFYRPISHDFHGN-UHFFFAOYSA-N -1 1 257.330 3.003 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@@H](C)C2CC2)c1 ZINC000744868433 572779943 /nfs/dbraw/zinc/77/99/43/572779943.db2.gz XYFOVBHNVSEGTE-LLVKDONJSA-N -1 1 290.359 3.117 20 0 CGADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC000736368917 572784620 /nfs/dbraw/zinc/78/46/20/572784620.db2.gz IQINGSMPICPHBO-GFCCVEGCSA-N -1 1 286.383 3.033 20 0 CGADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC000736368917 572784624 /nfs/dbraw/zinc/78/46/24/572784624.db2.gz IQINGSMPICPHBO-GFCCVEGCSA-N -1 1 286.383 3.033 20 0 CGADMM CCC[C@](C)(NCc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000036807908 600155399 /nfs/dbraw/zinc/15/53/99/600155399.db2.gz VSPINADHBCENLJ-INIZCTEOSA-N -1 1 288.347 3.075 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1cccc2ncccc21 ZINC000899347727 620645526 /nfs/dbraw/zinc/64/55/26/620645526.db2.gz CFTUZLQYOPQJES-UHFFFAOYSA-N -1 1 265.316 3.128 20 0 CGADMM C[C@@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[O-] ZINC000212717123 600985413 /nfs/dbraw/zinc/98/54/13/600985413.db2.gz UNOMGZVVCXTCTH-RXMQYKEDSA-N -1 1 290.266 3.147 20 0 CGADMM C[C@H](c1cccc(O)c1)N(C)Cc1ccsc1C(=O)[O-] ZINC000827941560 601825753 /nfs/dbraw/zinc/82/57/53/601825753.db2.gz LQHHOUPCADUYRC-SNVBAGLBSA-N -1 1 291.372 3.345 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccc[nH]2)s1 ZINC000833313084 601944204 /nfs/dbraw/zinc/94/42/04/601944204.db2.gz OBUXCWQDIKRRAN-GFCCVEGCSA-N -1 1 276.361 3.112 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccccn2)s1 ZINC000833313500 601958673 /nfs/dbraw/zinc/95/86/73/601958673.db2.gz XOTBNBXJTFPIDD-CYBMUJFWSA-N -1 1 288.372 3.178 20 0 CGADMM C[C@@H]1C[C@@H](n2[n-]c3c(c2=O)CCCCCC3)C[C@H](C)O1 ZINC000899361006 620665277 /nfs/dbraw/zinc/66/52/77/620665277.db2.gz RMEXMMKSTHVZMK-XJFOESAGSA-N -1 1 278.396 3.111 20 0 CGADMM CC(C)[C@H]1CCc2[n-]n(C3C[C@@H](C)O[C@H](C)C3)c(=O)c2C1 ZINC000899361411 620667273 /nfs/dbraw/zinc/66/72/73/620667273.db2.gz VMMVERBBDNIYIF-CXTNEJHOSA-N -1 1 292.423 3.213 20 0 CGADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H]1c1ccccc1 ZINC000833546471 605042851 /nfs/dbraw/zinc/04/28/51/605042851.db2.gz GOUTYPDNKNYQAI-WCQYABFASA-N -1 1 271.316 3.486 20 0 CGADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCCC1CCC1 ZINC000823798223 606728900 /nfs/dbraw/zinc/72/89/00/606728900.db2.gz VKAREULTVHTFLJ-UHFFFAOYSA-N -1 1 294.362 3.017 20 0 CGADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCCC1CCC1 ZINC000823798223 606728901 /nfs/dbraw/zinc/72/89/01/606728901.db2.gz VKAREULTVHTFLJ-UHFFFAOYSA-N -1 1 294.362 3.017 20 0 CGADMM Cc1cc(C)cc(N(C)Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000826264238 609174217 /nfs/dbraw/zinc/17/42/17/609174217.db2.gz GVTTXNPWAJJLSF-UHFFFAOYSA-N -1 1 299.403 3.181 20 0 CGADMM CN(C(=O)c1c([O-])cnc2c(F)cccc21)C1CCCC1 ZINC000900071877 620756053 /nfs/dbraw/zinc/75/60/53/620756053.db2.gz SQCHZRUZRKQGGH-UHFFFAOYSA-N -1 1 288.322 3.094 20 0 CGADMM Cc1sc([C@@H](C)NCc2ccccc2C)nc1C(=O)[O-] ZINC000900074945 620756097 /nfs/dbraw/zinc/75/60/97/620756097.db2.gz FTRALJBZJKZFEE-SNVBAGLBSA-N -1 1 290.388 3.309 20 0 CGADMM CC(C)CCC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900096971 620761936 /nfs/dbraw/zinc/76/19/36/620761936.db2.gz XCRWEYWIWGDZDZ-LLVKDONJSA-N -1 1 291.395 3.004 20 0 CGADMM C[C@H](C(=O)[N-]OCCC(F)(F)F)c1ccc(Cl)cc1 ZINC000845960057 618060997 /nfs/dbraw/zinc/06/09/97/618060997.db2.gz HBYSMLIVBCCZNB-QMMMGPOBSA-N -1 1 295.688 3.444 20 0 CGADMM CCCCN(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@@H](C)CC ZINC000900631531 620804405 /nfs/dbraw/zinc/80/44/05/620804405.db2.gz MMWHETNGJYGDNS-NSHDSACASA-N -1 1 291.395 3.100 20 0 CGADMM Cc1c2ccccc2oc1C[N-]C(=O)C(F)(F)C(F)F ZINC000176711770 618647241 /nfs/dbraw/zinc/64/72/41/618647241.db2.gz XLTKHQDEZVZYKC-UHFFFAOYSA-N -1 1 289.228 3.258 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(O)c1O ZINC000182869538 618764204 /nfs/dbraw/zinc/76/42/04/618764204.db2.gz NXHOFFHUWVUUCR-UHFFFAOYSA-N -1 1 293.706 3.018 20 0 CGADMM C/C(=C/C(=O)[N-]O[C@H]1CCCCO1)c1ccccc1Cl ZINC000066645446 618863476 /nfs/dbraw/zinc/86/34/76/618863476.db2.gz KFKVGJHYBXJFMH-WOLCWHLNSA-N -1 1 295.766 3.318 20 0 CGADMM O=C([O-])c1ccc(CN2CCCCC2)cc1Br ZINC000258009630 619196005 /nfs/dbraw/zinc/19/60/05/619196005.db2.gz AUHLKWLZTIMBDP-UHFFFAOYSA-N -1 1 298.180 3.133 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc2ccccc2c1[O-] ZINC000318067775 619259043 /nfs/dbraw/zinc/25/90/43/619259043.db2.gz JVJDMWJKXSGJQZ-CHWSQXEVSA-N -1 1 298.386 3.453 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc([C@@H]2CC2(Cl)Cl)no1 ZINC000896805429 620066734 /nfs/dbraw/zinc/06/67/34/620066734.db2.gz AWYZDXFZJPZFND-ZETCQYMHSA-N -1 1 289.093 3.243 20 0 CGADMM COCC1(c2noc(-c3ccc4ccccc4c3[O-])n2)CC1 ZINC000897047340 620125956 /nfs/dbraw/zinc/12/59/56/620125956.db2.gz WCMZDBSJYMKJDO-UHFFFAOYSA-N -1 1 296.326 3.273 20 0 CGADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1c(F)cccc1Cl ZINC000235358281 620302360 /nfs/dbraw/zinc/30/23/60/620302360.db2.gz OZPIZWVLVNYTGN-NXEZZACHSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@@]1(c2noc(Cc3ccc([O-])c(Cl)c3)n2)CCCO1 ZINC000866957275 620310319 /nfs/dbraw/zinc/31/03/19/620310319.db2.gz KKBXZRPDXSKUIO-AWEZNQCLSA-N -1 1 294.738 3.045 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)c(F)c1 ZINC000263475031 620321400 /nfs/dbraw/zinc/32/14/00/620321400.db2.gz FEXLHMOASCZJDH-KOLCDFICSA-N -1 1 285.746 3.164 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)S2 ZINC000899141636 620621827 /nfs/dbraw/zinc/62/18/27/620621827.db2.gz MUQYLLVRORPMHG-PBINXNQUSA-N -1 1 281.352 3.144 20 0 CGADMM Cc1cc2cc(CN3CC[C@@](F)(C(=O)[O-])C3)oc2cc1C ZINC000901520572 620911912 /nfs/dbraw/zinc/91/19/12/620911912.db2.gz WXHCYBGDPBGKBX-INIZCTEOSA-N -1 1 291.322 3.048 20 0 CGADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000901552577 620936219 /nfs/dbraw/zinc/93/62/19/620936219.db2.gz DANHYCLQEOOSRY-JTQLQIEISA-N -1 1 271.744 3.010 20 0 CGADMM CC[C@H](C)C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000901672550 620978475 /nfs/dbraw/zinc/97/84/75/620978475.db2.gz JURXSXASCHQWDD-VTPLQMEGSA-N -1 1 279.380 3.382 20 0 CGADMM C[C@H](N[C@H](CC1CC1)C(=O)[O-])c1cc2ccccc2o1 ZINC000901788671 621027050 /nfs/dbraw/zinc/02/70/50/621027050.db2.gz DCLLUEVRDOVJBX-GXFFZTMASA-N -1 1 273.332 3.337 20 0 CGADMM O=C([O-])CCCN(Cc1ccns1)Cc1ccccc1 ZINC000901802470 621033223 /nfs/dbraw/zinc/03/32/23/621033223.db2.gz XHLHFQMBZGDPRP-UHFFFAOYSA-N -1 1 290.388 3.010 20 0 CGADMM Cc1cc(CNCc2ccc(C)cc2C)oc1C(=O)[O-] ZINC000901941893 621072022 /nfs/dbraw/zinc/07/20/22/621072022.db2.gz FOODZWHJBQMKRX-UHFFFAOYSA-N -1 1 273.332 3.193 20 0 CGADMM CSc1ccc(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])s1 ZINC000902018602 621104545 /nfs/dbraw/zinc/10/45/45/621104545.db2.gz VDSKJNWKFWMZFF-GXSJLCMTSA-N -1 1 285.434 3.155 20 0 CGADMM O=C([O-])[C@@H]1CCCCCN1Cc1cnc(C2CCC2)s1 ZINC000902032515 621123216 /nfs/dbraw/zinc/12/32/16/621123216.db2.gz BAQDKTNGOMUXOX-ZDUSSCGKSA-N -1 1 294.420 3.240 20 0 CGADMM Cc1cc(CN[C@H]2CCc3c2cccc3C)oc1C(=O)[O-] ZINC000902231852 621204477 /nfs/dbraw/zinc/20/44/77/621204477.db2.gz SRGRMBJIMPSYOJ-HNNXBMFYSA-N -1 1 285.343 3.372 20 0 CGADMM Cc1oc(CNCCOC2CCCCCC2)cc1C(=O)[O-] ZINC000902255336 621210636 /nfs/dbraw/zinc/21/06/36/621210636.db2.gz CQFILWYBKPQWTE-UHFFFAOYSA-N -1 1 295.379 3.115 20 0 CGADMM CCSc1ccc(CNCc2ccoc2C(=O)[O-])cc1 ZINC000902335728 621270169 /nfs/dbraw/zinc/27/01/69/621270169.db2.gz IPLZKKVAFRGKTJ-UHFFFAOYSA-N -1 1 291.372 3.380 20 0 CGADMM O=C([O-])c1ccc(CNC2(c3cccc(F)c3)CCC2)o1 ZINC000902372936 621277163 /nfs/dbraw/zinc/27/71/63/621277163.db2.gz MUEZEUZWASEXEM-UHFFFAOYSA-N -1 1 289.306 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/nfs/dbraw/zinc/35/82/65/626358265.db2.gz LWPUXEMQUZNQGN-UHFFFAOYSA-N -1 1 282.752 3.317 20 0 CGADMM CC(C)(C)OCCCOC(=O)c1c([O-])cc(F)cc1F ZINC000757062140 626751933 /nfs/dbraw/zinc/75/19/33/626751933.db2.gz DMHUITQDWLEYJT-UHFFFAOYSA-N -1 1 288.290 3.032 20 0 CGADMM O=C(CCc1ccc(-c2ccccc2)o1)[N-]OCC(F)F ZINC000759328157 626887909 /nfs/dbraw/zinc/88/79/09/626887909.db2.gz NWWZAUYOEPMXND-UHFFFAOYSA-N -1 1 295.285 3.192 20 0 CGADMM C[C@H]1C[C@H](CC(=O)[N-]OCC(F)(F)F)CC(C)(C)C1 ZINC000766774347 627359863 /nfs/dbraw/zinc/35/98/63/627359863.db2.gz OTCQTUMFMIMDNU-VHSXEESVSA-N -1 1 281.318 3.449 20 0 CGADMM Cc1cc(Cl)ncc1NC(=O)c1ccc([O-])c(F)c1 ZINC000768277354 627472174 /nfs/dbraw/zinc/47/21/74/627472174.db2.gz QIXMBJVWPGDREE-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc([O-])c(F)c1 ZINC000768711256 627495086 /nfs/dbraw/zinc/49/50/86/627495086.db2.gz LPYWVXDRPLTJRQ-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM C[C@@H](c1ccncc1)N(C)C(=O)c1c([O-])cccc1Cl 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O=C(c1ccc([O-])cc1F)N(CCc1ccccc1)C1CC1 ZINC000776184212 628177154 /nfs/dbraw/zinc/17/71/54/628177154.db2.gz QKWDXCXQAGXEGU-UHFFFAOYSA-N -1 1 299.345 3.379 20 0 CGADMM Cc1nc(SC[C@H]2CC2(Cl)Cl)[n-]c(=O)c1C ZINC000776867067 628237907 /nfs/dbraw/zinc/23/79/07/628237907.db2.gz DKLAAPMZDBPHRM-SSDOTTSWSA-N -1 1 279.192 3.085 20 0 CGADMM C[C@@H](C(=O)[N-]OC1CCCCC1)c1cccc(F)c1 ZINC000777964455 628316285 /nfs/dbraw/zinc/31/62/85/628316285.db2.gz IXDXGHUIIKBTKN-LLVKDONJSA-N -1 1 265.328 3.310 20 0 CGADMM O=C(Cc1c(F)cccc1Cl)[N-]OC1CCCCC1 ZINC000777962876 628316343 /nfs/dbraw/zinc/31/63/43/628316343.db2.gz RARRZKJBUWORBG-UHFFFAOYSA-N -1 1 285.746 3.402 20 0 CGADMM CCC(=CC(=O)Nc1nc(Br)ccc1[O-])CC ZINC000783900558 628756318 /nfs/dbraw/zinc/75/63/18/628756318.db2.gz LBMJIBXAOUIFRC-UHFFFAOYSA-N -1 1 299.168 3.235 20 0 CGADMM O=C(OC[C@@H]1CCC2(CCCC2)O1)c1ccc([O-])cc1F ZINC000784514836 628818409 /nfs/dbraw/zinc/81/84/09/628818409.db2.gz AGQQCPOHFOSJLH-LBPRGKRZSA-N -1 1 294.322 3.180 20 0 CGADMM O=C(CCC1CCCC1)Nc1nc(Cl)ccc1[O-] ZINC000789930174 629174698 /nfs/dbraw/zinc/17/46/98/629174698.db2.gz DXWPFEUSNKGIMR-UHFFFAOYSA-N -1 1 268.744 3.350 20 0 CGADMM C[C@H]1CC[C@@H](CC(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000790051206 629180332 /nfs/dbraw/zinc/18/03/32/629180332.db2.gz NKZCFGAAAQOVDJ-DTWKUNHWSA-N -1 1 268.744 3.205 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc2cnccc21 ZINC000790051744 629180652 /nfs/dbraw/zinc/18/06/52/629180652.db2.gz SYBXRHMTEVRQHF-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H]1C(F)(F)F ZINC000875930607 634752807 /nfs/dbraw/zinc/75/28/07/634752807.db2.gz ZBCVWIWKUFVYPO-JTQLQIEISA-N -1 1 293.672 3.213 20 0 CGADMM CC(C)=CC[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000864529637 629855453 /nfs/dbraw/zinc/85/54/53/629855453.db2.gz ZAXRVIIUZPTABD-CQSZACIVSA-N -1 1 273.332 3.332 20 0 CGADMM Cc1ccc(CC(=O)Nc2c([O-])cccc2F)c(Cl)n1 ZINC000806869142 630577990 /nfs/dbraw/zinc/57/79/90/630577990.db2.gz KZRKFMAMPOAXED-UHFFFAOYSA-N -1 1 294.713 3.069 20 0 CGADMM CC(C)N(C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000876393179 634826591 /nfs/dbraw/zinc/82/65/91/634826591.db2.gz DODLTQISOKQTFX-UHFFFAOYSA-N -1 1 282.771 3.128 20 0 CGADMM O=c1cc(C(F)F)nc(SCCCCCCCO)[n-]1 ZINC000809986998 630823898 /nfs/dbraw/zinc/82/38/98/630823898.db2.gz RIVNJHBTXRQVEU-UHFFFAOYSA-N -1 1 292.351 3.155 20 0 CGADMM O=C(Cc1csc(C2CC2)n1)Nc1ccc(F)cc1[O-] ZINC000821344070 632756089 /nfs/dbraw/zinc/75/60/89/632756089.db2.gz GCIIYDKXRGMHRP-UHFFFAOYSA-N -1 1 292.335 3.046 20 0 CGADMM Cc1cccc(CO[N-]C(=O)[C@@H](C)c2ccccc2C)n1 ZINC000825566621 633364951 /nfs/dbraw/zinc/36/49/51/633364951.db2.gz ZEDQVYUKCBOWGF-AWEZNQCLSA-N -1 1 284.359 3.050 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)OC1CCCC1 ZINC000869737008 633502550 /nfs/dbraw/zinc/50/25/50/633502550.db2.gz YJZUUFYBDIOKKR-UHFFFAOYSA-N -1 1 254.713 3.074 20 0 CGADMM CC[C@H](C)N(OC)C(=O)c1ccc2ccccc2c1[O-] ZINC000830474907 633865584 /nfs/dbraw/zinc/86/55/84/633865584.db2.gz PHZZQTRTLXQLNM-NSHDSACASA-N -1 1 273.332 3.348 20 0 CGADMM CCc1c(=O)n(-c2ccc(Cl)nc2)[n-]c1C(C)C ZINC000871954111 633925952 /nfs/dbraw/zinc/92/59/52/633925952.db2.gz LEUFFQWKBREPAL-JTQLQIEISA-N -1 1 265.744 3.120 20 0 CGADMM CC1(C)CCc2c([n-]n(C[C@H]3CCCC3(F)F)c2=O)C1 ZINC000871962299 633929032 /nfs/dbraw/zinc/92/90/32/633929032.db2.gz AEISRTXEKGIWIV-GHMZBOCLSA-N -1 1 284.350 3.446 20 0 CGADMM CCCc1c(C)[n-]n([C@@H]2CCOC3(CCCC3)C2)c1=O ZINC000871963308 633930917 /nfs/dbraw/zinc/93/09/17/633930917.db2.gz GDJYXDAKMFKDSX-ZIAGYGMSSA-N -1 1 278.396 3.113 20 0 CGADMM O=C(NCCC[C@H]1C=CCC1)c1ccc([O-])c(F)c1 ZINC000834327133 634143429 /nfs/dbraw/zinc/14/34/29/634143429.db2.gz PVEOTRBPRTYGHL-NSHDSACASA-N -1 1 263.312 3.008 20 0 CGADMM C[C@H](CC(=O)NCc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000834819547 634246893 /nfs/dbraw/zinc/24/68/93/634246893.db2.gz YWLJMFDCFXOAKX-SSDOTTSWSA-N -1 1 295.688 3.250 20 0 CGADMM C[C@H](Cc1ccco1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821534 634248335 /nfs/dbraw/zinc/24/83/35/634248335.db2.gz AQDAHPDDNHHXKQ-SNVBAGLBSA-N -1 1 293.750 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285.334 3.011 20 0 CGADMM CC(C)=C(C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885677014 638039568 /nfs/dbraw/zinc/03/95/68/638039568.db2.gz YVPXNVKGUUACJR-UHFFFAOYSA-N -1 1 257.692 3.480 20 0 CGADMM CSC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CC1 ZINC000885678977 638049975 /nfs/dbraw/zinc/04/99/75/638049975.db2.gz ZUKKGAUTQPRJOW-UHFFFAOYSA-N -1 1 275.732 3.019 20 0 CGADMM CC(C)(C)CCC1(O)CC(C(=O)[N-]Oc2ccccc2)C1 ZINC000854536815 638068633 /nfs/dbraw/zinc/06/86/33/638068633.db2.gz WJERLNALRVESRL-UHFFFAOYSA-N -1 1 291.391 3.064 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc2ccc(C(C)C)cc2[nH]1 ZINC000854634926 638079795 /nfs/dbraw/zinc/07/97/95/638079795.db2.gz JHNOJXVYTMNRAE-UHFFFAOYSA-N -1 1 298.346 3.281 20 0 CGADMM CCC(F)(F)C(=O)[N-][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000854845342 638109986 /nfs/dbraw/zinc/10/99/86/638109986.db2.gz CLRKIXOQWYOYTQ-MRVPVSSYSA-N -1 1 293.235 3.253 20 0 CGADMM C[C@@H]1CCC[C@@H](CNc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858361316 638691878 /nfs/dbraw/zinc/69/18/78/638691878.db2.gz MZLXZYJJRNLAPT-RKDXNWHRSA-N -1 1 255.749 3.074 20 0 CGADMM O=c1nc(N(CCC(F)(F)F)CC2CC2)cc(Cl)[n-]1 ZINC000858440493 638719868 /nfs/dbraw/zinc/71/98/68/638719868.db2.gz WEKVUQQPZFKJMF-UHFFFAOYSA-N -1 1 295.692 3.004 20 0 CGADMM CCC[C@@H](C)[C@@H]1CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858450421 638722672 /nfs/dbraw/zinc/72/26/72/638722672.db2.gz HENORBDIUNYILU-ZJUUUORDSA-N -1 1 269.776 3.241 20 0 CGADMM O=c1nc(NCCC2Cc3ccccc3C2)cc(Cl)[n-]1 ZINC000858457068 638724647 /nfs/dbraw/zinc/72/46/47/638724647.db2.gz FVZTXPMJWWEJFL-UHFFFAOYSA-N -1 1 289.766 3.053 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC[C@@H]1C[C@H]1C1CC1 ZINC000927403629 638857791 /nfs/dbraw/zinc/85/77/91/638857791.db2.gz JPBKAIPTFUNLBS-OLZOCXBDSA-N -1 1 293.794 3.141 20 0 CGADMM COc1cnc([C@H]2CCC[N@H+]2CCCC(C)(C)C)[nH]c1=O ZINC000934275087 639570104 /nfs/dbraw/zinc/57/01/04/639570104.db2.gz ZEWOJLYQVQTJOJ-GFCCVEGCSA-N -1 1 293.411 3.154 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000935100010 639748314 /nfs/dbraw/zinc/74/83/14/639748314.db2.gz LPDNXTBLWZBYHC-GARJFASQSA-N -1 1 263.312 3.296 20 0 CGADMM C[C@H]1C[C@H](C)N1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000935736131 639851146 /nfs/dbraw/zinc/85/11/46/639851146.db2.gz FOECNYQHCBIYNN-QWRGUYRKSA-N -1 1 299.326 3.088 20 0 CGADMM CSc1ccccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000193195361 640440776 /nfs/dbraw/zinc/44/07/76/640440776.db2.gz FLBYDUXEYFKISO-UHFFFAOYSA-N -1 1 294.763 3.415 20 0 CGADMM CCn1c(CNC(=O)CCCCCC(C)C)n[n-]c1=S ZINC000081411954 640534236 /nfs/dbraw/zinc/53/42/36/640534236.db2.gz FNLLMLVIECRYEU-UHFFFAOYSA-N -1 1 298.456 3.183 20 0 CGADMM Cc1ccc2ccc(C(=O)N(C)C[C@@H]3CC3(C)C)c([O-])c2n1 ZINC001155652606 805599640 /nfs/dbraw/zinc/59/96/40/805599640.db2.gz AMUGVKYMWPFKKJ-ZDUSSCGKSA-N -1 1 298.386 3.367 20 0 CGADMM Cc1cccc(Cc2c(F)ccc([O-])c2Cl)n1 ZINC001250425356 805606360 /nfs/dbraw/zinc/60/63/60/805606360.db2.gz WHWPYCRTZCAHDT-UHFFFAOYSA-N -1 1 251.688 3.479 20 0 CGADMM COc1ccc(-c2ccc([O-])c(F)c2F)c(OC)c1 ZINC001250618731 805729861 /nfs/dbraw/zinc/72/98/61/805729861.db2.gz NWEHDWYNCYGJKZ-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM Cc1ccc2nc(-c3ccc(OCC(=O)[O-])cc3)[nH]c2c1C ZINC001250735480 805767664 /nfs/dbraw/zinc/76/76/64/805767664.db2.gz JOTQSMXBJMARPJ-UHFFFAOYSA-N -1 1 296.326 3.310 20 0 CGADMM COc1cc2[nH]c(-c3cc(F)c(F)cc3[O-])nc2cc1F ZINC001250967345 805811108 /nfs/dbraw/zinc/81/11/08/805811108.db2.gz MYPAUOQBGQBMFE-UHFFFAOYSA-N -1 1 294.232 3.361 20 0 CGADMM COc1cc2nc(-c3cc(F)c(F)cc3[O-])[nH]c2cc1F ZINC001250967345 805811131 /nfs/dbraw/zinc/81/11/31/805811131.db2.gz MYPAUOQBGQBMFE-UHFFFAOYSA-N -1 1 294.232 3.361 20 0 CGADMM COc1cccc2[nH]c(-c3cc(F)c([O-])cc3F)nc21 ZINC001251011403 805827563 /nfs/dbraw/zinc/82/75/63/805827563.db2.gz NEQYPQTUHWIDOX-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM O=S(=O)([N-]c1ccccc1C(F)F)c1ccccc1 ZINC001251136857 805853941 /nfs/dbraw/zinc/85/39/41/805853941.db2.gz BKKDUEXALQLAJA-UHFFFAOYSA-N -1 1 283.299 3.425 20 0 CGADMM Cn1c(-c2cc(Cl)ncc2[O-])nc2cccc(F)c21 ZINC001251252402 805871942 /nfs/dbraw/zinc/87/19/42/805871942.db2.gz VPIKFDSJNWQOJI-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM CC(=O)c1ccc2[nH]c(-c3cc(Cl)ncc3[O-])nc2c1 ZINC001251251435 805872452 /nfs/dbraw/zinc/87/24/52/805872452.db2.gz FFGTUBKVZKHVBX-UHFFFAOYSA-N -1 1 287.706 3.187 20 0 CGADMM COc1cccc2[nH]c(-c3c([O-])ccc(F)c3F)nc21 ZINC001251319166 805881938 /nfs/dbraw/zinc/88/19/38/805881938.db2.gz QSVOOKXAIDFSPG-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM Cc1cc(F)ncc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001157899236 805900876 /nfs/dbraw/zinc/90/08/76/805900876.db2.gz CYKOPHLBQSJBJY-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM CCc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1OC ZINC001158273404 805934098 /nfs/dbraw/zinc/93/40/98/805934098.db2.gz CMUGVYRJIYSPLL-UHFFFAOYSA-N -1 1 289.306 3.355 20 0 CGADMM [O-]c1ccc(F)c(-c2nnc(Cc3ccccc3)o2)c1F ZINC001253589620 806266944 /nfs/dbraw/zinc/26/69/44/806266944.db2.gz UNHOPXQSALLEFL-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM CCCc1nnc(-c2ccc3ccc(C)nc3c2[O-])o1 ZINC001253957856 806323807 /nfs/dbraw/zinc/32/38/07/806323807.db2.gz STJMKETTYFKHID-UHFFFAOYSA-N -1 1 269.304 3.251 20 0 CGADMM CC1(C)CCC[C@H](CNC(=O)c2ccc([O-])cc2F)C1 ZINC001161932031 806485824 /nfs/dbraw/zinc/48/58/24/806485824.db2.gz FJJTXJLEGIPTTE-NSHDSACASA-N -1 1 279.355 3.478 20 0 CGADMM Cc1cc(=O)n(-c2ccc(-c3nnc(C4CCC4)o3)cc2)[n-]1 ZINC001255161433 806559163 /nfs/dbraw/zinc/55/91/63/806559163.db2.gz MISFPQLQSKRKCU-UHFFFAOYSA-N -1 1 296.330 3.117 20 0 CGADMM O=S(=O)([N-]c1ccc2c(c1)N=NC2)c1cccc(F)c1 ZINC001255661213 806697420 /nfs/dbraw/zinc/69/74/20/806697420.db2.gz KEKFHJDSIAZXTE-UHFFFAOYSA-N -1 1 291.307 3.224 20 0 CGADMM CCN(Cc1ccncc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000042272080 798888261 /nfs/dbraw/zinc/88/82/61/798888261.db2.gz TYAFFRQXRGQJOZ-UHFFFAOYSA-N -1 1 290.750 3.103 20 0 CGADMM CC(C)(C)c1nsc([N-]c2cnn(CC3CC3)c2)n1 ZINC000188936986 799120692 /nfs/dbraw/zinc/12/06/92/799120692.db2.gz BXWQMPMNPUXZNA-UHFFFAOYSA-N -1 1 277.397 3.186 20 0 CGADMM Cc1nc(-c2ccc(NC(=O)c3cncc([O-])c3)cc2)co1 ZINC000387318901 799445910 /nfs/dbraw/zinc/44/59/10/799445910.db2.gz SKCFSQMIJPGSOR-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CNCc1csc(C)c1C ZINC000399808247 799542141 /nfs/dbraw/zinc/54/21/41/799542141.db2.gz KTEBMFZZMSEVAW-UHFFFAOYSA-N -1 1 279.361 3.254 20 0 CGADMM CC[C@]1(C(=O)[O-])CCCN(Cc2csc(C3CC3)n2)C1 ZINC000694823202 799824314 /nfs/dbraw/zinc/82/43/14/799824314.db2.gz PQKILKCIVNXQPW-HNNXBMFYSA-N -1 1 294.420 3.097 20 0 CGADMM C[C@H]1C[C@H](NC(=O)c2ccc([O-])cc2F)CC(C)(C)C1 ZINC000709396291 800008261 /nfs/dbraw/zinc/00/82/61/800008261.db2.gz ZCDSUFFBZLRQGI-QWRGUYRKSA-N -1 1 279.355 3.476 20 0 CGADMM C[C@H](c1ccco1)N(C)Cc1cc(C(=O)[O-])cs1 ZINC000711378974 800052472 /nfs/dbraw/zinc/05/24/72/800052472.db2.gz JCFXKNBHCLQWFG-SECBINFHSA-N -1 1 265.334 3.232 20 0 CGADMM O=C(NCc1cccc(Cl)c1F)c1c([O-])cccc1F ZINC001116637990 802390370 /nfs/dbraw/zinc/39/03/70/802390370.db2.gz ISMBDGZSRHEQPG-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM CSc1nc(Nc2ccc(F)cc2C)cc(=O)[n-]1 ZINC001173966180 808792529 /nfs/dbraw/zinc/79/25/29/808792529.db2.gz VIMAKBQGVYFRHN-UHFFFAOYSA-N -1 1 265.313 3.095 20 0 CGADMM C[C@@H]1[C@@H](C(=O)Nc2cc(F)c([O-])cc2Cl)C1(F)F ZINC001123959951 802985198 /nfs/dbraw/zinc/98/51/98/802985198.db2.gz KJYBKECCRIDPSH-MOFOKWOHSA-N -1 1 279.645 3.024 20 0 CGADMM CCOC(=O)Cc1ccc(-c2c([O-])cccc2Cl)nc1 ZINC001244030856 803150874 /nfs/dbraw/zinc/15/08/74/803150874.db2.gz KCWARRXTJYPFKZ-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM [O-]c1cccc(Cl)c1-c1cnc(N2CCCC2)cn1 ZINC001244048784 803160694 /nfs/dbraw/zinc/16/06/94/803160694.db2.gz TXMYRFQNDZDBPE-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM COC(=N)c1cccc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244096419 803183586 /nfs/dbraw/zinc/18/35/86/803183586.db2.gz IWFZWKWKVIVPGL-UHFFFAOYSA-N -1 1 263.243 3.309 20 0 CGADMM CN1Cc2c(cccc2-c2cc(F)c([O-])c(F)c2)NC1=O ZINC001244097072 803185421 /nfs/dbraw/zinc/18/54/21/803185421.db2.gz SFWDSUJVILGYKT-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM Cc1cnc2[nH]ccc2c1-c1cc(F)c([O-])c(F)c1 ZINC001244098651 803186852 /nfs/dbraw/zinc/18/68/52/803186852.db2.gz OWBYQLDNIUDBNQ-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM COc1cc(C(=O)[O-])cc(-c2ccc3nc(C)[nH]c3c2)c1 ZINC001244177003 803226958 /nfs/dbraw/zinc/22/69/58/803226958.db2.gz HBOVWUJXKLRADZ-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM COc1cc2cnc(-c3cc(C)ccc3[O-])nc2cc1OC ZINC001244403496 803351318 /nfs/dbraw/zinc/35/13/18/803351318.db2.gz YWMNVCDAACWGDT-UHFFFAOYSA-N -1 1 296.326 3.328 20 0 CGADMM Cc1ccc([O-])c(-c2ncc(-c3cccnc3)cn2)c1 ZINC001244403684 803353090 /nfs/dbraw/zinc/35/30/90/803353090.db2.gz YKPFBTIBQQFDGV-UHFFFAOYSA-N -1 1 263.300 3.220 20 0 CGADMM COC(=O)c1cccnc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244530452 803421648 /nfs/dbraw/zinc/42/16/48/803421648.db2.gz OCWYXACFZSUGLQ-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM COc1nnc(-c2cc(C)c([O-])c(Cl)c2)cc1C ZINC001244531667 803422574 /nfs/dbraw/zinc/42/25/74/803422574.db2.gz OWPNFFQHOCPRAZ-UHFFFAOYSA-N -1 1 264.712 3.128 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncnc3cc[nH]c32)c1F ZINC001244537311 803424216 /nfs/dbraw/zinc/42/42/16/803424216.db2.gz AADMLOPQBJFSRK-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncc(OCC3CC3)cn2)c1F ZINC001244537278 803424424 /nfs/dbraw/zinc/42/44/24/803424424.db2.gz ACLWKQSKORTSGT-UHFFFAOYSA-N -1 1 294.713 3.431 20 0 CGADMM CCN(C)c1cc(-c2c(Cl)ccc([O-])c2F)ncn1 ZINC001244539469 803426237 /nfs/dbraw/zinc/42/62/37/803426237.db2.gz XGIVDKUAAVEOFD-UHFFFAOYSA-N -1 1 281.718 3.098 20 0 CGADMM CC(C)Oc1nccnc1-c1c(Cl)ccc([O-])c1F ZINC001244540352 803428659 /nfs/dbraw/zinc/42/86/59/803428659.db2.gz LLXLNAXNYVMEDO-UHFFFAOYSA-N -1 1 282.702 3.429 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cc(F)cn3ncnc23)c1F ZINC001244540979 803428674 /nfs/dbraw/zinc/42/86/74/803428674.db2.gz KNIGINASXHYHDH-UHFFFAOYSA-N -1 1 281.649 3.034 20 0 CGADMM NC(=O)c1cc(-c2c(F)c([O-])ccc2Cl)ccc1F ZINC001244542760 803429624 /nfs/dbraw/zinc/42/96/24/803429624.db2.gz MAARTXDELKTXFR-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM O=C1Cc2cc(F)c(-c3c(Cl)ccc([O-])c3F)cc2N1 ZINC001244541661 803429736 /nfs/dbraw/zinc/42/97/36/803429736.db2.gz FOADBIHRUOKBDI-UHFFFAOYSA-N -1 1 295.672 3.485 20 0 CGADMM Cc1ncnc(C)c1-c1c(Cl)ccc([O-])c1F ZINC001244541844 803429805 /nfs/dbraw/zinc/42/98/05/803429805.db2.gz UPKYRUPHSVXVEI-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM O=C1NCCc2cc(-c3c(Cl)ccc([O-])c3F)ccc21 ZINC001244542778 803429923 /nfs/dbraw/zinc/42/99/23/803429923.db2.gz MLABGSBKSZKIFK-UHFFFAOYSA-N -1 1 291.709 3.138 20 0 CGADMM CCn1cccc(-c2c(F)c([O-])ccc2Cl)c1=O ZINC001244543357 803430524 /nfs/dbraw/zinc/43/05/24/803430524.db2.gz TYFUHVPVNBAIAE-UHFFFAOYSA-N -1 1 267.687 3.033 20 0 CGADMM COc1nc(-c2cc(C)c([O-])c(Cl)c2)cn2ccnc12 ZINC001244547460 803432125 /nfs/dbraw/zinc/43/21/25/803432125.db2.gz LYKCQHNLDHQBFC-UHFFFAOYSA-N -1 1 289.722 3.072 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1cc(-c2ncc[nH]2)ccn1 ZINC001245049180 803622186 /nfs/dbraw/zinc/62/21/86/803622186.db2.gz RHOJNAVNKPSEJX-UHFFFAOYSA-N -1 1 271.707 3.498 20 0 CGADMM CCOc1cc(C)ccc1NC(=O)c1ccc([O-])cc1F ZINC001136315812 803638776 /nfs/dbraw/zinc/63/87/76/803638776.db2.gz KCLSYMNPSWAFQD-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM CCn1ncc2ccc(NC(=O)c3ccc(F)c([O-])c3)cc21 ZINC001136500251 803645375 /nfs/dbraw/zinc/64/53/75/803645375.db2.gz IXOZABYNGLYFOE-UHFFFAOYSA-N -1 1 299.305 3.153 20 0 CGADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC001137134872 803687298 /nfs/dbraw/zinc/68/72/98/803687298.db2.gz MYEISCYVIFYVNY-RYUDHWBXSA-N -1 1 287.334 3.453 20 0 CGADMM Cc1c2[nH]cnc2ccc1-c1cc(CC(=O)[O-])ccc1F ZINC001245318553 803699773 /nfs/dbraw/zinc/69/97/73/803699773.db2.gz NAWRIRQJVHVDMO-UHFFFAOYSA-N -1 1 284.290 3.305 20 0 CGADMM O=C([O-])c1ccc(-c2cccc3cncn32)c(Cl)c1 ZINC001245373697 803718570 /nfs/dbraw/zinc/71/85/70/803718570.db2.gz IPAHOVBDKSCVMN-UHFFFAOYSA-N -1 1 272.691 3.353 20 0 CGADMM COc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)ncc1C ZINC001211962669 814962088 /nfs/dbraw/zinc/96/20/88/814962088.db2.gz KPRCIJWDLSRJLE-UHFFFAOYSA-N -1 1 292.722 3.494 20 0 CGADMM CSc1cccnc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001137674069 803756401 /nfs/dbraw/zinc/75/64/01/803756401.db2.gz CXPCNROKFGSMOY-UHFFFAOYSA-N -1 1 294.763 3.415 20 0 CGADMM [O-]c1cc(F)c(-c2cccn3cncc23)cc1Cl ZINC001245670600 803899644 /nfs/dbraw/zinc/89/96/44/803899644.db2.gz KPHXMFDLECSAID-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM CC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])[C@@H]1C ZINC001138447304 803939695 /nfs/dbraw/zinc/93/96/95/803939695.db2.gz PXQUNKSCQGKUKB-NXEZZACHSA-N -1 1 267.756 3.306 20 0 CGADMM CC(C)Oc1nccnc1-c1c(F)ccc([O-])c1Cl ZINC001245830855 803984687 /nfs/dbraw/zinc/98/46/87/803984687.db2.gz WOLRORLQYIDOHJ-UHFFFAOYSA-N -1 1 282.702 3.429 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3n[nH]nc3c2)c1Cl ZINC001245832350 803986285 /nfs/dbraw/zinc/98/62/85/803986285.db2.gz VKXCDLOXPVYCAS-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM CC(C)Cn1cc(-c2c(F)ccc([O-])c2Cl)cnc1=O ZINC001245835012 803988573 /nfs/dbraw/zinc/98/85/73/803988573.db2.gz LDEKQURJPCYSTJ-UHFFFAOYSA-N -1 1 296.729 3.064 20 0 CGADMM Cc1ccc(C(=S)n2[n-]c(C(C)C)cc2=O)cc1 ZINC001245917765 804044375 /nfs/dbraw/zinc/04/43/75/804044375.db2.gz PXAWEEIXBAHIHB-UHFFFAOYSA-N -1 1 260.362 3.244 20 0 CGADMM O=c1cc(CC2CCC2)[n-]n1-c1cccc2ncccc21 ZINC001245935788 804064351 /nfs/dbraw/zinc/06/43/51/804064351.db2.gz BQPBAMOZMNVLRI-UHFFFAOYSA-N -1 1 279.343 3.469 20 0 CGADMM Nc1ccc(-c2cc(=O)n([C@H]3CCc4ccccc43)[n-]2)cc1 ZINC001245938243 804070725 /nfs/dbraw/zinc/07/07/25/804070725.db2.gz VUJDVJDVUUPJOL-KRWDZBQOSA-N -1 1 291.354 3.374 20 0 CGADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc([O-])c2F)C1 ZINC001139048315 804117573 /nfs/dbraw/zinc/11/75/73/804117573.db2.gz CDSWPXFJPMSRLJ-LLVKDONJSA-N -1 1 279.355 3.430 20 0 CGADMM Cc1ccc(O)c(NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC001139457671 804190900 /nfs/dbraw/zinc/19/09/00/804190900.db2.gz WOOMIAPSCCAWLB-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM O=c1cc(Nc2cc([O-])c(Cl)cc2F)cc[nH]1 ZINC001212276400 815000235 /nfs/dbraw/zinc/00/02/35/815000235.db2.gz PJZXOBWVMJINFP-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc([O-])cn1 ZINC001140102337 804378367 /nfs/dbraw/zinc/37/83/67/804378367.db2.gz HWNICBDCYZGUMZ-GJZGRUSLSA-N -1 1 296.370 3.243 20 0 CGADMM Cc1cnccc1/C=C/C(=O)Nc1ccc([O-])c(F)c1F ZINC001140657123 804485636 /nfs/dbraw/zinc/48/56/36/804485636.db2.gz KIYLXTFLKDPGBA-GORDUTHDSA-N -1 1 290.269 3.026 20 0 CGADMM [O-]c1ccc(CN2Cc3ccccc3C2)c(F)c1F ZINC001140889877 804543239 /nfs/dbraw/zinc/54/32/39/804543239.db2.gz OKFYBPPLVWACCK-UHFFFAOYSA-N -1 1 261.271 3.186 20 0 CGADMM CN(Cc1ccccc1F)Cc1ccc([O-])c(F)c1F ZINC001140894092 804545879 /nfs/dbraw/zinc/54/58/79/804545879.db2.gz PVFKVMCFGRBMBG-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H]1c1ccc(F)cc1 ZINC001165780873 807019081 /nfs/dbraw/zinc/01/90/81/807019081.db2.gz ZTHUWEDRRDGGPP-OAHLLOKOSA-N -1 1 289.281 3.258 20 0 CGADMM C[C@@]1(F)CCCCN(Cc2cc(F)c([O-])c(F)c2)C1 ZINC001140988153 804563873 /nfs/dbraw/zinc/56/38/73/804563873.db2.gz PNMIMHDOKXQWRR-CQSZACIVSA-N -1 1 273.298 3.385 20 0 CGADMM [O-]c1c(F)cc(CN2CCOC3(CCCCC3)C2)cc1F ZINC001140991024 804564615 /nfs/dbraw/zinc/56/46/15/804564615.db2.gz VAIBQJVCYYBEPP-UHFFFAOYSA-N -1 1 297.345 3.206 20 0 CGADMM Cc1ccc2nc(NC(=O)c3c(C)cccc3O)[nH]c2c1 ZINC001141481750 804645156 /nfs/dbraw/zinc/64/51/56/804645156.db2.gz BFIUIAGKFJFOPK-UHFFFAOYSA-N -1 1 281.315 3.138 20 0 CGADMM CN(C(=O)c1ccc(F)c([O-])c1)C1CCC(F)(F)CC1 ZINC001141795987 804669848 /nfs/dbraw/zinc/66/98/48/804669848.db2.gz YZKOLHKVPKUMLX-UHFFFAOYSA-N -1 1 287.281 3.181 20 0 CGADMM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1cncc([O-])c1 ZINC001142234076 804705856 /nfs/dbraw/zinc/70/58/56/804705856.db2.gz PUFMTKLXMJUTAP-OLZOCXBDSA-N -1 1 276.380 3.124 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2cc(F)ccc2Cl)no1 ZINC001212480767 815035057 /nfs/dbraw/zinc/03/50/57/815035057.db2.gz HNJQWRNVMLDPSJ-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2cc(Cl)ccc2F)no1 ZINC001212481074 815036109 /nfs/dbraw/zinc/03/61/09/815036109.db2.gz YZWHZIZSBQIXPD-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM Cc1cnc(Cl)c(C(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001142545425 804736065 /nfs/dbraw/zinc/73/60/65/804736065.db2.gz BJIDGDGAXNQQAM-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM Cc1nc(Cl)ccc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142542534 804736131 /nfs/dbraw/zinc/73/61/31/804736131.db2.gz REVAZKJCTHQNSB-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM Cc1c(Cl)cccc1-c1noc(-c2ncccc2[O-])n1 ZINC001212481029 815036345 /nfs/dbraw/zinc/03/63/45/815036345.db2.gz WGYURPGGOKJZNG-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM COc1c(C)cccc1[N-]c1nnc(-c2ccco2)o1 ZINC001248513691 804939524 /nfs/dbraw/zinc/93/95/24/804939524.db2.gz GPJUQTZDKRBLBQ-UHFFFAOYSA-N -1 1 271.276 3.390 20 0 CGADMM C[C@H]1CCCC[C@H]1CCNC(=O)c1cc(F)ccc1[O-] ZINC001146709338 805083293 /nfs/dbraw/zinc/08/32/93/805083293.db2.gz JVXRBOFGHYCWMQ-RYUDHWBXSA-N -1 1 279.355 3.478 20 0 CGADMM CC[C@@]1(C)CCCN(C(=O)c2cccc([O-])c2F)C1 ZINC001147875921 805155369 /nfs/dbraw/zinc/15/53/69/805155369.db2.gz YXVDVLIKKWHGHM-HNNXBMFYSA-N -1 1 265.328 3.184 20 0 CGADMM CCCC[C@@H](CC)CCCN(C)C(=O)c1cnncc1O ZINC001148041874 805160128 /nfs/dbraw/zinc/16/01/28/805160128.db2.gz UFRBFWMGEZHBBT-CYBMUJFWSA-N -1 1 293.411 3.251 20 0 CGADMM CCCC[C@@H](CC)CCCN(C)C(=O)c1cnncc1[O-] ZINC001148041874 805160132 /nfs/dbraw/zinc/16/01/32/805160132.db2.gz UFRBFWMGEZHBBT-CYBMUJFWSA-N -1 1 293.411 3.251 20 0 CGADMM CC(=O)c1ccc(NC(=O)c2ccc(C)cc2[O-])c(F)c1 ZINC001148500033 805191001 /nfs/dbraw/zinc/19/10/01/805191001.db2.gz HUMSRAOTENWPFU-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM O=C(NCc1cccc(F)c1F)c1ccc(Cl)cc1[O-] ZINC001149949510 805249093 /nfs/dbraw/zinc/24/90/93/805249093.db2.gz VOZRHANVYYQDHB-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM O=C(Cc1ccc(Cl)s1)Nc1cccc(F)c1[O-] ZINC001151779396 805311933 /nfs/dbraw/zinc/31/19/33/805311933.db2.gz AWEPMEHHOYRYPD-UHFFFAOYSA-N -1 1 285.727 3.427 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cncc2ccccc21 ZINC001151771177 805312825 /nfs/dbraw/zinc/31/28/25/805312825.db2.gz CNLJZXVKQFIVNV-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM Cc1ccncc1Nc1cc([O-])c(F)c(F)c1F ZINC001249959134 805326910 /nfs/dbraw/zinc/32/69/10/805326910.db2.gz WSQMGANMLYNAEX-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM [O-]c1cc(Nc2ccc(F)nc2F)c(F)c(F)c1F ZINC001249960934 805328377 /nfs/dbraw/zinc/32/83/77/805328377.db2.gz XOUJGQPMKASLFZ-UHFFFAOYSA-N -1 1 276.164 3.226 20 0 CGADMM COc1cc(Nc2cc([O-])c(F)c(F)c2F)c(C)cn1 ZINC001249961909 805328770 /nfs/dbraw/zinc/32/87/70/805328770.db2.gz ZDOCOMMLESEFGI-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM O=C1OCc2cc(Nc3cc([O-])c(F)c(F)c3F)ccc21 ZINC001249961778 805329084 /nfs/dbraw/zinc/32/90/84/805329084.db2.gz FGTJEFRSJGCEHN-UHFFFAOYSA-N -1 1 295.216 3.224 20 0 CGADMM Nc1cccc2c1ccn2-c1cc([O-])c(F)c(F)c1F ZINC001249963338 805331019 /nfs/dbraw/zinc/33/10/19/805331019.db2.gz MZYAIBOHIJLOCF-UHFFFAOYSA-N -1 1 278.233 3.336 20 0 CGADMM CN(c1cccc(N)c1)c1cc([O-])c(F)c(F)c1F ZINC001249966847 805332464 /nfs/dbraw/zinc/33/24/64/805332464.db2.gz MVJPMZSODYYSOA-UHFFFAOYSA-N -1 1 268.238 3.160 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)c2ccc(Cl)s2)c([O-])c1 ZINC001152484952 805350848 /nfs/dbraw/zinc/35/08/48/805350848.db2.gz ISISVKYWAIPXEB-MRVPVSSYSA-N -1 1 296.779 3.302 20 0 CGADMM Cc1nc(Br)ccc1[N-]c1nonc1C1CC1 ZINC001212563117 815070382 /nfs/dbraw/zinc/07/03/82/815070382.db2.gz FBUPFXIWJOZMBQ-UHFFFAOYSA-N -1 1 295.140 3.157 20 0 CGADMM NC(=O)c1ccc(F)cc1Nc1cc(Cl)c([O-])cc1F ZINC001250023909 805374428 /nfs/dbraw/zinc/37/44/28/805374428.db2.gz HNGOAKRHLJHYPW-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM Nc1cccc2c1N(c1cc(Cl)c([O-])cc1F)CC2 ZINC001250027122 805378587 /nfs/dbraw/zinc/37/85/87/805378587.db2.gz XPEFBWKNKGQRDT-UHFFFAOYSA-N -1 1 278.714 3.461 20 0 CGADMM O=C(N[C@H]1C[C@H]1C1CC1)c1c([O-])ccc2ccccc21 ZINC001153513011 805401574 /nfs/dbraw/zinc/40/15/74/805401574.db2.gz XMGDDGLSOILQSN-KBPBESRZSA-N -1 1 267.328 3.074 20 0 CGADMM O=C([O-])c1cc(Cl)c(CCN2CCCC2)c(Cl)c1 ZINC001250166527 805454747 /nfs/dbraw/zinc/45/47/47/805454747.db2.gz QBUNETCLPXLKNA-UHFFFAOYSA-N -1 1 288.174 3.330 20 0 CGADMM [O-]c1ccc(C[C@H]2COc3ccccc3O2)c(F)c1F ZINC001250177264 805465605 /nfs/dbraw/zinc/46/56/05/805465605.db2.gz YRQPSBYWLQVQGT-JTQLQIEISA-N -1 1 278.254 3.053 20 0 CGADMM COC(=O)c1cccc(Cc2cc(F)c([O-])cc2F)c1 ZINC001250193407 805481963 /nfs/dbraw/zinc/48/19/63/805481963.db2.gz LPTQHKBXTJAHRI-UHFFFAOYSA-N -1 1 278.254 3.048 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N[C@@H]3CC=CCC3)cc2c1 ZINC001154755859 805482906 /nfs/dbraw/zinc/48/29/06/805482906.db2.gz CONCPTRGSAVQCH-CQSZACIVSA-N -1 1 297.354 3.393 20 0 CGADMM NC(=O)c1cc(F)cc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250232895 805508199 /nfs/dbraw/zinc/50/81/99/805508199.db2.gz YHNOPLKMEBGUMZ-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM NC(=O)c1c(F)cccc1Nc1c(F)ccc([O-])c1Cl ZINC001250233229 805508269 /nfs/dbraw/zinc/50/82/69/805508269.db2.gz LHTBHLGRJFJANG-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM Cc1cc(N)cc2cnn(-c3c(F)ccc([O-])c3Cl)c21 ZINC001250237586 805513937 /nfs/dbraw/zinc/51/39/37/805513937.db2.gz KHRJQKCFRJYMEU-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@H]1CCCSC1 ZINC001257667602 807210085 /nfs/dbraw/zinc/21/00/85/807210085.db2.gz HUCDXGHPVDBMCE-LBPRGKRZSA-N -1 1 289.404 3.194 20 0 CGADMM Cc1cccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1 ZINC001212689603 815104504 /nfs/dbraw/zinc/10/45/04/815104504.db2.gz KRQGRVAEOQDWBC-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM Cc1cccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1 ZINC001212689603 815104505 /nfs/dbraw/zinc/10/45/05/815104505.db2.gz KRQGRVAEOQDWBC-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2cc(Cl)ccc2F)no1 ZINC001212721567 815114222 /nfs/dbraw/zinc/11/42/22/815114222.db2.gz WWRVFMNLFLSWSX-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM [O-]c1ccc(F)cc1-c1nnc(Cc2cccc(F)c2)o1 ZINC001258570869 807493626 /nfs/dbraw/zinc/49/36/26/807493626.db2.gz ALXQWMPAKIMVET-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM CCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001259452838 807678702 /nfs/dbraw/zinc/67/87/02/807678702.db2.gz YKODXZJVNVWSBI-UHFFFAOYSA-N -1 1 293.791 3.338 20 0 CGADMM O=S(=O)([N-][C@H](c1ccccc1)C1CCCC1)C(F)F ZINC001259961329 807694938 /nfs/dbraw/zinc/69/49/38/807694938.db2.gz FMYIOCOEEVSCLZ-GFCCVEGCSA-N -1 1 289.347 3.060 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC001260722850 807699053 /nfs/dbraw/zinc/69/90/53/807699053.db2.gz CPRVTZDBJOMVPE-MRVPVSSYSA-N -1 1 297.298 3.125 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1cccc(F)c1C(F)(F)F ZINC001260740636 807703253 /nfs/dbraw/zinc/70/32/53/807703253.db2.gz SMUIKCPVFHRJJF-ZETCQYMHSA-N -1 1 299.289 3.385 20 0 CGADMM O=c1nc2nc[nH]c2c(Nc2cccc(C3CCC3)c2)[n-]1 ZINC001170229811 807798256 /nfs/dbraw/zinc/79/82/56/807798256.db2.gz DCCDRYJZDHOGJN-UHFFFAOYSA-N -1 1 281.319 3.070 20 0 CGADMM CCCC[C@@H](C)N(CCCC)C(=O)c1cnncc1[O-] ZINC001262626257 807880250 /nfs/dbraw/zinc/88/02/50/807880250.db2.gz JNTBPRZXXGTPIB-GFCCVEGCSA-N -1 1 279.384 3.003 20 0 CGADMM O=C([N-]c1noc2c1CCCC2)c1c(F)ccc(F)c1F ZINC001262813943 807912489 /nfs/dbraw/zinc/91/24/89/807912489.db2.gz RLUQRCRSYFCJKG-UHFFFAOYSA-N -1 1 296.248 3.223 20 0 CGADMM COCOc1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001212900248 815180675 /nfs/dbraw/zinc/18/06/75/815180675.db2.gz TXVCABIYTZNTAM-UHFFFAOYSA-N -1 1 281.258 3.397 20 0 CGADMM CN1CCOc2cc(Nc3c([O-])cc(F)cc3F)ccc21 ZINC001213043637 815210992 /nfs/dbraw/zinc/21/09/92/815210992.db2.gz NNXOMJFYRHMEHH-UHFFFAOYSA-N -1 1 292.285 3.243 20 0 CGADMM O=c1ccn(-c2ccc(Nc3cccc(F)c3)cc2)[n-]1 ZINC001173839521 808703105 /nfs/dbraw/zinc/70/31/05/808703105.db2.gz XVKMCCRSEPMIKT-UHFFFAOYSA-N -1 1 269.279 3.461 20 0 CGADMM COc1ccc(Nc2ccc(F)c(F)c2[O-])c(OC)c1 ZINC001173891969 808746031 /nfs/dbraw/zinc/74/60/31/808746031.db2.gz IRZNSLNABJEYDT-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM CC(=O)Nc1ccccc1Nc1ccc(F)c(F)c1[O-] ZINC001173995393 808810282 /nfs/dbraw/zinc/81/02/82/808810282.db2.gz AWUUODDHAWOYPI-UHFFFAOYSA-N -1 1 278.258 3.372 20 0 CGADMM CSc1nc(Nc2cncc3ccccc32)cc(=O)[n-]1 ZINC001174098756 808864140 /nfs/dbraw/zinc/86/41/40/808864140.db2.gz WILGFSZOVIZPKH-UHFFFAOYSA-N -1 1 284.344 3.196 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc2n[nH]cc2c1 ZINC001174275473 808921440 /nfs/dbraw/zinc/92/14/40/808921440.db2.gz XKRFKINISOXAOA-UHFFFAOYSA-N -1 1 293.282 3.119 20 0 CGADMM CSc1nc(Nc2ccsc2C)cc(=O)[n-]1 ZINC001174459072 809022781 /nfs/dbraw/zinc/02/27/81/809022781.db2.gz WXFDWURSIHEPOP-UHFFFAOYSA-N -1 1 253.352 3.018 20 0 CGADMM Nc1cc(F)cc(F)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213379269 815273054 /nfs/dbraw/zinc/27/30/54/815273054.db2.gz KAHWEXMJMDDTDL-UHFFFAOYSA-N -1 1 272.201 3.274 20 0 CGADMM CSc1nc(Nc2c(F)ccc(F)c2F)cc(=O)[n-]1 ZINC001175025395 809244218 /nfs/dbraw/zinc/24/42/18/809244218.db2.gz HEASAEFOSYNKIH-UHFFFAOYSA-N -1 1 287.266 3.065 20 0 CGADMM Nc1ccccc1C(=S)Nc1cc(F)c([O-])c(F)c1 ZINC001213384378 815274730 /nfs/dbraw/zinc/27/47/30/815274730.db2.gz JHWOWDFLFSPGQU-UHFFFAOYSA-N -1 1 280.299 3.040 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1c(F)cc(O)cc1F ZINC001175099248 809269619 /nfs/dbraw/zinc/26/96/19/809269619.db2.gz YVCRMOJAGFZJRD-UHFFFAOYSA-N -1 1 272.638 3.168 20 0 CGADMM COc1cc([N-]c2nnc(C(C)(C)C)o2)cc(OC)c1 ZINC001175102763 809273275 /nfs/dbraw/zinc/27/32/75/809273275.db2.gz GJVQPJVKAYQUJP-UHFFFAOYSA-N -1 1 277.324 3.128 20 0 CGADMM CC(=O)c1ccccc1[N-]c1noc(C(C)(C)C)n1 ZINC001175172271 809297363 /nfs/dbraw/zinc/29/73/63/809297363.db2.gz IHNINKCOYZJCLE-UHFFFAOYSA-N -1 1 259.309 3.313 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc2nccnc2c1 ZINC001175487821 809427509 /nfs/dbraw/zinc/42/75/09/809427509.db2.gz HMJDNOHOMVZFHZ-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM C[C@H]1CCCN(C(=O)c2ccc([O-])cn2)c2ccccc21 ZINC001296161783 809499251 /nfs/dbraw/zinc/49/92/51/809499251.db2.gz QNJLEDRSCKVYJG-LBPRGKRZSA-N -1 1 282.343 3.331 20 0 CGADMM C[C@H]1CCC[C@H](C)C1NC(=O)c1cc(F)ccc1[O-] ZINC001297671661 809521780 /nfs/dbraw/zinc/52/17/80/809521780.db2.gz USUPNTPMESNRQE-UWVGGRQHSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1ncccc1/C=C\C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001299581301 809552038 /nfs/dbraw/zinc/55/20/38/809552038.db2.gz ORQMIABLYGYXQB-PLNGDYQASA-N -1 1 290.269 3.026 20 0 CGADMM CC(=O)c1cc(NC(=O)c2ccccc2[O-])ccc1C ZINC001300005755 809558578 /nfs/dbraw/zinc/55/85/78/809558578.db2.gz HXZULUABTBJZAF-UHFFFAOYSA-N -1 1 269.300 3.156 20 0 CGADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)c([O-])c1)CC2 ZINC001300227810 809564203 /nfs/dbraw/zinc/56/42/03/809564203.db2.gz XRMYHOSLBKWYDA-HNNXBMFYSA-N -1 1 285.318 3.257 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc(O)cc1F ZINC001176413443 809690160 /nfs/dbraw/zinc/69/01/60/809690160.db2.gz PXQZHSVPDWVDCF-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM Cc1ncccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176662757 809736843 /nfs/dbraw/zinc/73/68/43/809736843.db2.gz WHICCIQRGNUKKN-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM COc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(C)n1 ZINC001176663656 809738521 /nfs/dbraw/zinc/73/85/21/809738521.db2.gz JYNHZDKITDOBDA-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cn(C3CCC3)cn2)c1F ZINC001176664618 809738877 /nfs/dbraw/zinc/73/88/77/809738877.db2.gz VLTBFDLXOYWGBK-UHFFFAOYSA-N -1 1 283.253 3.475 20 0 CGADMM Nc1ccc2c(ccn2-c2c(F)cc(F)c([O-])c2F)c1 ZINC001176670081 809739574 /nfs/dbraw/zinc/73/95/74/809739574.db2.gz QMWJTHLUBHNBFC-UHFFFAOYSA-N -1 1 278.233 3.336 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cccc(F)c1F ZINC001176987643 809773587 /nfs/dbraw/zinc/77/35/87/809773587.db2.gz AHCWGKQFMQZUAS-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM CCC(CC)[C@@H](C)C(=O)[N-]Oc1ccccc1F ZINC001177109434 809781436 /nfs/dbraw/zinc/78/14/36/809781436.db2.gz IHYPURMBKTXFBV-SNVBAGLBSA-N -1 1 253.317 3.308 20 0 CGADMM CC(C)(C)c1coc(NC(=O)c2ccc(F)c([O-])c2)n1 ZINC001180596356 810012835 /nfs/dbraw/zinc/01/28/35/810012835.db2.gz OXPKWRORNOUUOM-UHFFFAOYSA-N -1 1 278.283 3.069 20 0 CGADMM Cc1[nH]nc2cc(NC(=O)Cc3ccc([S-])cc3)ccc12 ZINC001183187694 810138629 /nfs/dbraw/zinc/13/86/29/810138629.db2.gz BTJQFCXMIZXYBF-UHFFFAOYSA-N -1 1 297.383 3.341 20 0 CGADMM CC[C@@H]1CCC[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183218913 810141095 /nfs/dbraw/zinc/14/10/95/810141095.db2.gz QQBJYZYAMFPJGP-RKDXNWHRSA-N -1 1 268.744 3.205 20 0 CGADMM O=C(Nc1cc([O-])c(Cl)cc1F)NC1CCCC1 ZINC001185895150 810300553 /nfs/dbraw/zinc/30/05/53/810300553.db2.gz LPOUSYVLLPMNFH-UHFFFAOYSA-N -1 1 272.707 3.249 20 0 CGADMM Cc1cc(N)ccc1Nc1cc([O-])c(F)c(F)c1 ZINC001214119132 815371268 /nfs/dbraw/zinc/37/12/68/815371268.db2.gz JFDSHVZZPSQLAU-UHFFFAOYSA-N -1 1 250.248 3.305 20 0 CGADMM O=S(=O)([N-]c1ccc(F)c(Cl)c1F)c1ccoc1 ZINC001188609827 810492437 /nfs/dbraw/zinc/49/24/37/810492437.db2.gz BXKICRKEASBKQO-UHFFFAOYSA-N -1 1 293.678 3.012 20 0 CGADMM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccncc1 ZINC001190846563 810652268 /nfs/dbraw/zinc/65/22/68/810652268.db2.gz OSPVXVUJTFSKQC-GFCCVEGCSA-N -1 1 290.388 3.396 20 0 CGADMM COCOc1ccc(C)cc1Nc1ccnc(Cl)c1[O-] ZINC001214240067 815390504 /nfs/dbraw/zinc/39/05/04/815390504.db2.gz XIRSJTKFJIZJDF-UHFFFAOYSA-N -1 1 294.738 3.475 20 0 CGADMM CCCC[C@@H](CC)C[C@H](C)OCC[P@](=O)([O-])O ZINC001224601317 816831590 /nfs/dbraw/zinc/83/15/90/816831590.db2.gz GGZKVWYYBKAHJQ-NWDGAFQWSA-N -1 1 266.318 3.176 20 0 CGADMM CCn1cnc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214486628 815416229 /nfs/dbraw/zinc/41/62/29/815416229.db2.gz PWTFAENHGRVPES-UHFFFAOYSA-N -1 1 255.680 3.145 20 0 CGADMM O=C(Nc1cc(F)c(F)cc1[O-])Oc1ccccc1 ZINC001194254042 811042407 /nfs/dbraw/zinc/04/24/07/811042407.db2.gz PIDBNGBOQZHGQR-UHFFFAOYSA-N -1 1 265.215 3.281 20 0 CGADMM Nc1ccc2c(cnn2-c2cc(F)c([O-])c(Cl)c2)c1 ZINC001214486733 815416537 /nfs/dbraw/zinc/41/65/37/815416537.db2.gz XAXVEGUDPBMWLI-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM COc1ccc(OC(=O)Nc2c(F)cc([O-])cc2F)cc1 ZINC001194540552 811087998 /nfs/dbraw/zinc/08/79/98/811087998.db2.gz JFKIBNBZFZUHGN-UHFFFAOYSA-N -1 1 295.241 3.290 20 0 CGADMM Cc1csc(NC(=O)c2c[n-]c(C(F)(F)F)n2)c1 ZINC001194770453 811129454 /nfs/dbraw/zinc/12/94/54/811129454.db2.gz JJMBBYSVYCLCRO-UHFFFAOYSA-N -1 1 275.255 3.051 20 0 CGADMM Cc1cc(O)cc(C)c1NC(=O)c1c[n-]c(C(F)(F)F)n1 ZINC001194783160 811131807 /nfs/dbraw/zinc/13/18/07/811131807.db2.gz GXZUDXWXFMYZCA-UHFFFAOYSA-N -1 1 299.252 3.003 20 0 CGADMM Cc1ccc([O-])c(C(=O)N2Cc3ccccc3C(C)(C)C2)n1 ZINC001195325177 811242664 /nfs/dbraw/zinc/24/26/64/811242664.db2.gz ZCUZQJHFEKXCSH-UHFFFAOYSA-N -1 1 296.370 3.029 20 0 CGADMM [O-]c1cc(NC(=S)NC2CCCC2)c(F)cc1Cl ZINC001198549883 811514486 /nfs/dbraw/zinc/51/44/86/811514486.db2.gz YLWBHJGIYOSTGV-UHFFFAOYSA-N -1 1 288.775 3.414 20 0 CGADMM CC[C@H](C)CNC(=S)Nc1cc(F)cc(F)c1[O-] ZINC001200258059 811655578 /nfs/dbraw/zinc/65/55/78/811655578.db2.gz REBMARHLVRVZHK-ZETCQYMHSA-N -1 1 274.336 3.003 20 0 CGADMM O=C(Nc1c([O-])cccc1F)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201933917 811976446 /nfs/dbraw/zinc/97/64/46/811976446.db2.gz LVECJDFKFNWPKM-WCQYABFASA-N -1 1 286.306 3.209 20 0 CGADMM O=C(Nc1ccccc1F)Nc1cc(Cl)ncc1[O-] ZINC001201987604 811989711 /nfs/dbraw/zinc/98/97/11/811989711.db2.gz IYASYSOSQZCPOF-UHFFFAOYSA-N -1 1 281.674 3.224 20 0 CGADMM CCOc1ccc(-c2nc(-c3cc(C)ccn3)no2)c([O-])c1 ZINC001215241415 815498174 /nfs/dbraw/zinc/49/81/74/815498174.db2.gz WKTAAPPYEUAFIX-UHFFFAOYSA-N -1 1 297.314 3.211 20 0 CGADMM COc1ccc(C)cc1NC(=O)Nc1ccc(F)cc1[O-] ZINC001202866520 812189424 /nfs/dbraw/zinc/18/94/24/812189424.db2.gz REBWDZWLTCWAFF-UHFFFAOYSA-N -1 1 290.294 3.492 20 0 CGADMM [O-]c1c(Cl)cc(Br)cc1NC1=CCOC1 ZINC001203397637 812341369 /nfs/dbraw/zinc/34/13/69/812341369.db2.gz BIHFGRIKKGGJBL-UHFFFAOYSA-N -1 1 290.544 3.134 20 0 CGADMM O=C([O-])c1ccc(CN2CCc3ccc(F)cc3C2)cc1 ZINC001204156020 812558229 /nfs/dbraw/zinc/55/82/29/812558229.db2.gz ZCBITNSPZMUCFI-UHFFFAOYSA-N -1 1 285.318 3.082 20 0 CGADMM Nc1ccccc1C(=S)Nc1cc(F)c([O-])cc1F ZINC001215573898 815538579 /nfs/dbraw/zinc/53/85/79/815538579.db2.gz KBIBTOBVOSNNGV-UHFFFAOYSA-N -1 1 280.299 3.040 20 0 CGADMM COc1ccc(Nc2c([O-])cc(F)cc2F)c2c[nH]nc21 ZINC001215750235 815573529 /nfs/dbraw/zinc/57/35/29/815573529.db2.gz AGYYRWWRJLRZPZ-UHFFFAOYSA-N -1 1 291.257 3.299 20 0 CGADMM COc1cccc(NCc2ccc([O-])c(F)c2F)c1OC ZINC001207535652 813589717 /nfs/dbraw/zinc/58/97/17/813589717.db2.gz KVBJZSKJCQYDKS-UHFFFAOYSA-N -1 1 295.285 3.300 20 0 CGADMM C=Cc1cccc(Nc2cc(=O)[n-]c(SC)n2)c1 ZINC001209914471 814197914 /nfs/dbraw/zinc/19/79/14/814197914.db2.gz GDRSLEHTNKZALV-UHFFFAOYSA-N -1 1 259.334 3.291 20 0 CGADMM CC(C)n1nccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001210517185 814503992 /nfs/dbraw/zinc/50/39/92/814503992.db2.gz QWMPPPAXWHCAGN-UHFFFAOYSA-N -1 1 285.303 3.020 20 0 CGADMM CSc1nccc(-c2cccc([O-])c2Cl)n1 ZINC001242799225 823135922 /nfs/dbraw/zinc/13/59/22/823135922.db2.gz ZVPPUAUGUDFOQU-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM CNC(=O)Cc1ccccc1-c1cccc([O-])c1Cl ZINC001242799248 823135802 /nfs/dbraw/zinc/13/58/02/823135802.db2.gz AVOZVHOKLYCRHE-UHFFFAOYSA-N -1 1 275.735 3.001 20 0 CGADMM NC(=O)Nc1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242799440 823135929 /nfs/dbraw/zinc/13/59/29/823135929.db2.gz LAOKCOLSKZERFK-UHFFFAOYSA-N -1 1 262.696 3.203 20 0 CGADMM CCNC(=O)c1ccccc1-c1cccc([O-])c1Cl ZINC001242799433 823135699 /nfs/dbraw/zinc/13/56/99/823135699.db2.gz KRILVOHTOYUMMS-UHFFFAOYSA-N -1 1 275.735 3.462 20 0 CGADMM Cc1c[nH]c2nc(-c3cccc([O-])c3Cl)ncc12 ZINC001242797784 823135248 /nfs/dbraw/zinc/13/52/48/823135248.db2.gz LWUYBUJOYQUXAY-UHFFFAOYSA-N -1 1 259.696 3.244 20 0 CGADMM COC(=O)Cc1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242800247 823136812 /nfs/dbraw/zinc/13/68/12/823136812.db2.gz KJTXJJTVNRLMEG-UHFFFAOYSA-N -1 1 276.719 3.428 20 0 CGADMM CC1(c2cccc(-c3cccc([O-])c3Cl)n2)OCCO1 ZINC001242800384 823136834 /nfs/dbraw/zinc/13/68/34/823136834.db2.gz HGGGHRIOVGDIKQ-UHFFFAOYSA-N -1 1 291.734 3.327 20 0 CGADMM [O-]c1cccc(-c2cccc3c2OCCO3)c1Cl ZINC001242800691 823136837 /nfs/dbraw/zinc/13/68/37/823136837.db2.gz REKDQRKNAUDXQA-UHFFFAOYSA-N -1 1 262.692 3.484 20 0 CGADMM [O-]c1cccc(-c2ccc3c(n2)CCOC3)c1Cl ZINC001242801163 823137249 /nfs/dbraw/zinc/13/72/49/823137249.db2.gz PPHUJSPGJQVZIW-UHFFFAOYSA-N -1 1 261.708 3.180 20 0 CGADMM CS(=O)(=O)Cc1cccc(-c2cccc([O-])c2Cl)c1 ZINC001242801726 823137271 /nfs/dbraw/zinc/13/72/71/823137271.db2.gz FGNOESOTBHHQHV-UHFFFAOYSA-N -1 1 296.775 3.257 20 0 CGADMM COc1ccc(-c2cccc([O-])c2Cl)nc1F ZINC001242801265 823137375 /nfs/dbraw/zinc/13/73/75/823137375.db2.gz VSCASRYJGSWSMO-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM CCOC(=O)c1c(F)cncc1-c1cccc([O-])c1Cl ZINC001242802233 823137957 /nfs/dbraw/zinc/13/79/57/823137957.db2.gz BVLSLMYXPNGRCC-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM COC(=O)c1ccc(C)cc1-c1cc(F)c([O-])cc1F ZINC001211339058 814882447 /nfs/dbraw/zinc/88/24/47/814882447.db2.gz KRPZXKHOBCKABU-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM C[S@@](=O)c1ccccc1-c1cc(F)c([O-])cc1F ZINC001211350486 814883518 /nfs/dbraw/zinc/88/35/18/814883518.db2.gz PIHMVADXVOUWMY-GOSISDBHSA-N -1 1 268.284 3.075 20 0 CGADMM O=C1Nc2cc(-c3cc(F)c([O-])cc3F)ccc2C12CC2 ZINC001211360826 814886091 /nfs/dbraw/zinc/88/60/91/814886091.db2.gz XAJYMJWBBSSVPP-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM COc1cc(Nc2ccc(C)c(C(=O)[O-])c2)ncc1C ZINC001211601749 814915988 /nfs/dbraw/zinc/91/59/88/814915988.db2.gz IZFOOFXCYHMGBT-UHFFFAOYSA-N -1 1 272.304 3.149 20 0 CGADMM Cc1nsc([N-]c2ccc(Cl)c3c[nH]nc32)n1 ZINC001216054762 815674921 /nfs/dbraw/zinc/67/49/21/815674921.db2.gz VENDYAUBDFUMNR-UHFFFAOYSA-N -1 1 265.729 3.120 20 0 CGADMM COc1cc(Nc2cc([O-])c(Cl)cc2F)ccc1CO ZINC001216114475 815701266 /nfs/dbraw/zinc/70/12/66/815701266.db2.gz WDRWZDYMIDVXNM-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM Cc1ccc2nc(N)n(-c3cc(C)c(C(=O)[O-])c(C)c3)c2c1 ZINC001216307493 815773290 /nfs/dbraw/zinc/77/32/90/815773290.db2.gz DENAONGZDLLAGO-UHFFFAOYSA-N -1 1 295.342 3.231 20 0 CGADMM COc1cc([O-])c(-c2nc(-c3ccccc3)no2)c(OC)c1 ZINC001216757076 815895947 /nfs/dbraw/zinc/89/59/47/815895947.db2.gz DJBFEUULRJFOJD-UHFFFAOYSA-N -1 1 298.298 3.126 20 0 CGADMM Cc1ccncc1-c1noc(-c2cc([O-])cc(F)c2F)n1 ZINC001216924416 815901450 /nfs/dbraw/zinc/90/14/50/815901450.db2.gz JBRFWXLNULETNS-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM C=CC(=O)Oc1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001222083056 816343043 /nfs/dbraw/zinc/34/30/43/816343043.db2.gz LFGHQXJWOQTBED-UHFFFAOYSA-N -1 1 276.238 3.429 20 0 CGADMM Cc1nc2c[nH]cc(-c3ccc(C4(C(=O)[O-])CC4)cc3)c-2n1 ZINC001222694272 816501451 /nfs/dbraw/zinc/50/14/51/816501451.db2.gz JSFSWKKPEAKSRR-UHFFFAOYSA-N -1 1 293.326 3.050 20 0 CGADMM Cc1nc2c(cncc2-c2ccc(C3(C(=O)[O-])CC3)cc2)[nH]1 ZINC001222694272 816501454 /nfs/dbraw/zinc/50/14/54/816501454.db2.gz JSFSWKKPEAKSRR-UHFFFAOYSA-N -1 1 293.326 3.050 20 0 CGADMM CCCCCC[C@H](CCC)OCC[P@](=O)([O-])O ZINC001224602717 816831539 /nfs/dbraw/zinc/83/15/39/816831539.db2.gz SQSKBVNPXLKSBM-LBPRGKRZSA-N -1 1 266.318 3.320 20 0 CGADMM C[C@@H](OCCCC[P@](=O)([O-])O)c1cccc(Cl)c1 ZINC001225018734 816933012 /nfs/dbraw/zinc/93/30/12/816933012.db2.gz GTVKMZXJFYFRJO-SNVBAGLBSA-N -1 1 292.699 3.376 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1OC1CCC(F)(F)CC1 ZINC001225679411 817138651 /nfs/dbraw/zinc/13/86/51/817138651.db2.gz PSLRGLVSVPXTOP-UHFFFAOYSA-N -1 1 286.274 3.257 20 0 CGADMM C[C@H](Oc1cc(N)nc2ccccc21)C1=CC=C[CH]1 ZINC001226423585 817353407 /nfs/dbraw/zinc/35/34/07/817353407.db2.gz YXJMMKSBETZWIO-NSHDSACASA-N -1 1 251.309 3.285 20 0 CGADMM CC1=C(Oc2cc(Cl)c([O-])cc2Cl)C(=O)O[C@H]1C ZINC001227641571 817685957 /nfs/dbraw/zinc/68/59/57/817685957.db2.gz PHQWPEPXLCZWKL-LURJTMIESA-N -1 1 289.114 3.297 20 0 CGADMM [O-]c1cc(Cl)c(O[C@H]2CCOC[C@H]2F)cc1Cl ZINC001227644894 817687287 /nfs/dbraw/zinc/68/72/87/817687287.db2.gz DFZDBCQRLCRJON-SCZZXKLOSA-N -1 1 281.110 3.205 20 0 CGADMM CCC[C@@H](Oc1[n-]c(=O)nc2c1COC2)c1ccccc1 ZINC001227686027 817692936 /nfs/dbraw/zinc/69/29/36/817692936.db2.gz DNVBXSPHTJQHBT-CQSZACIVSA-N -1 1 286.331 3.133 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)nc2cnccc21)C1CCC1 ZINC001227880804 817742184 /nfs/dbraw/zinc/74/21/84/817742184.db2.gz FLDLTGOHFVVLAC-MRVPVSSYSA-N -1 1 261.350 3.255 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1-c1ccc2nc[nH]c2c1 ZINC001243203655 823289401 /nfs/dbraw/zinc/28/94/01/823289401.db2.gz BGJBDZUCXFTFGE-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCOC(C)(C)C1 ZINC001228553309 817936868 /nfs/dbraw/zinc/93/68/68/817936868.db2.gz ANWSVWRIAYKMOQ-NSHDSACASA-N -1 1 294.347 3.027 20 0 CGADMM CCC[C@H](Oc1cnnc(=S)[n-]1)c1ccc(OC)cc1 ZINC001228636326 817958487 /nfs/dbraw/zinc/95/84/87/817958487.db2.gz LOYCPOFUFAFUHM-LBPRGKRZSA-N -1 1 291.376 3.089 20 0 CGADMM [O-]c1cc(CN2Cc3ncsc3C2)ccc1Cl ZINC001231733956 818161537 /nfs/dbraw/zinc/16/15/37/818161537.db2.gz ACHGKSJLNDTOOK-UHFFFAOYSA-N -1 1 266.753 3.018 20 0 CGADMM C[C@H]1c2cccn2CCN1Cc1ccc(Cl)c([O-])c1 ZINC001231737421 818162747 /nfs/dbraw/zinc/16/27/47/818162747.db2.gz QJDAZOCWMJIEPN-NSHDSACASA-N -1 1 276.767 3.424 20 0 CGADMM C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(F)c([O-])c1F ZINC001232935677 818477172 /nfs/dbraw/zinc/47/71/72/818477172.db2.gz VKJAVKICILDFFK-UHFFFAOYSA-N -1 1 295.304 3.484 20 0 CGADMM CCN(Cc1ccc(F)c([O-])c1F)CC(F)(F)F ZINC001232936899 818477741 /nfs/dbraw/zinc/47/77/41/818477741.db2.gz ICIHQWLJDQTWPS-UHFFFAOYSA-N -1 1 269.213 3.055 20 0 CGADMM [O-]c1c(F)ccc(CN2Cc3cnc(Cl)cc3C2)c1F ZINC001232938502 818478011 /nfs/dbraw/zinc/47/80/11/818478011.db2.gz DWAMPANPLYDNJW-UHFFFAOYSA-N -1 1 296.704 3.235 20 0 CGADMM [O-]c1cc(CN2CC[C@@H](F)C(F)(F)CC2)cc(F)c1F ZINC001232968242 818485943 /nfs/dbraw/zinc/48/59/43/818485943.db2.gz GIYRYGTUZXYYPK-LLVKDONJSA-N -1 1 295.251 3.240 20 0 CGADMM CN(Cc1cccc(O)c1)Cc1cc([O-])c(F)c(F)c1 ZINC001232971212 818487336 /nfs/dbraw/zinc/48/73/36/818487336.db2.gz YFIXJDNUMXULKU-UHFFFAOYSA-N -1 1 279.286 3.008 20 0 CGADMM [O-]c1cc(CN2CCC(C(F)(F)F)CC2)cc(F)c1F ZINC001232971080 818487348 /nfs/dbraw/zinc/48/73/48/818487348.db2.gz SZPHCQLDVCFCSV-UHFFFAOYSA-N -1 1 295.251 3.445 20 0 CGADMM CCN(Cc1cccnc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232971818 818488970 /nfs/dbraw/zinc/48/89/70/818488970.db2.gz PKSIXKCKTVZDEN-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM [O-]c1ccc(-c2cc3[nH]cnc3c(F)c2)c(F)c1F ZINC001243341672 823355754 /nfs/dbraw/zinc/35/57/54/823355754.db2.gz WMINLFAMGQRNPJ-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM COc1ncc(C)cc1-c1ccc([O-])c(F)c1F ZINC001243343141 823358735 /nfs/dbraw/zinc/35/87/35/823358735.db2.gz QLPFGMCSSNOVPY-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COC(=O)c1ccc(-c2ccc([O-])c(F)c2F)cc1C ZINC001243343304 823359071 /nfs/dbraw/zinc/35/90/71/823359071.db2.gz ZQDRLZIEZDOHER-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM COCOc1cc(-c2ccc([O-])c(F)c2F)ccc1F ZINC001243343467 823359566 /nfs/dbraw/zinc/35/95/66/823359566.db2.gz CUCUVRMSGXDYCL-UHFFFAOYSA-N -1 1 284.233 3.459 20 0 CGADMM CC[C@H](C)[C@@H](C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234045398 818766383 /nfs/dbraw/zinc/76/63/83/818766383.db2.gz UEUPZOYAYGSFLD-VHSXEESVSA-N -1 1 276.336 3.163 20 0 CGADMM CC[C@H](C)[C@@H](C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234045398 818766385 /nfs/dbraw/zinc/76/63/85/818766385.db2.gz UEUPZOYAYGSFLD-VHSXEESVSA-N -1 1 276.336 3.163 20 0 CGADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H]1CCCC(C)(C)C1 ZINC001234607102 818891071 /nfs/dbraw/zinc/89/10/71/818891071.db2.gz XSFXCZJHIKUCTD-VIFPVBQESA-N -1 1 297.326 3.061 20 0 CGADMM C[C@H](CCC1CC1)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001235358081 819077694 /nfs/dbraw/zinc/07/76/94/819077694.db2.gz HSFHBCXGRSSBMA-SNVBAGLBSA-N -1 1 296.798 3.424 20 0 CGADMM Cc1ccc(F)c(-c2cc3c(nn2)CC[C@H](C)C3)c1[O-] ZINC001236389422 819446396 /nfs/dbraw/zinc/44/63/96/819446396.db2.gz CMEAABZOLLQXSK-VIFPVBQESA-N -1 1 272.323 3.422 20 0 CGADMM Cc1ccc(F)c(-c2cncc(OC(C)C)n2)c1[O-] ZINC001236393910 819448410 /nfs/dbraw/zinc/44/84/10/819448410.db2.gz VEFXDTJQEIXQLM-UHFFFAOYSA-N -1 1 262.284 3.084 20 0 CGADMM Cc1cc(C)c(Cl)c(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001236548568 819534005 /nfs/dbraw/zinc/53/40/05/819534005.db2.gz KEIDGXYSJYTZSA-UHFFFAOYSA-N -1 1 285.738 3.199 20 0 CGADMM Cc1cc(C)c(Cl)c(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001236548568 819534009 /nfs/dbraw/zinc/53/40/09/819534009.db2.gz KEIDGXYSJYTZSA-UHFFFAOYSA-N -1 1 285.738 3.199 20 0 CGADMM COC(=O)c1cccc(-c2cc(F)cc(F)c2[O-])c1C ZINC001243502932 823421677 /nfs/dbraw/zinc/42/16/77/823421677.db2.gz BUHOOTYRLLUGBW-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM COC(=O)c1cc(OC)ccc1-c1cc(F)cc(F)c1[O-] ZINC001243504207 823422642 /nfs/dbraw/zinc/42/26/42/823422642.db2.gz KGHVOCMYTUYZNN-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc2nnccc2c1 ZINC001243503229 823422655 /nfs/dbraw/zinc/42/26/55/823422655.db2.gz DTJIANKFGBRDRI-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COC(=N)c1cccc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243505013 823423088 /nfs/dbraw/zinc/42/30/88/823423088.db2.gz FDAIWKSOADOJRQ-UHFFFAOYSA-N -1 1 263.243 3.309 20 0 CGADMM CC(C)Cn1ccc(-c2cc(F)cc(F)c2[O-])cc1=O ZINC001243505719 823423142 /nfs/dbraw/zinc/42/31/42/823423142.db2.gz VKNTYWQTBZVWQD-UHFFFAOYSA-N -1 1 279.286 3.155 20 0 CGADMM CC(=O)Nc1ccc(F)c(-c2cc(F)cc(F)c2[O-])c1 ZINC001243505858 823423837 /nfs/dbraw/zinc/42/38/37/823423837.db2.gz LONRNPWDSXZSMV-UHFFFAOYSA-N -1 1 281.233 3.435 20 0 CGADMM [O-]c1c(CN2CCC3(CC3)C2)cc(Cl)nc1Cl ZINC001237517618 819769431 /nfs/dbraw/zinc/76/94/31/819769431.db2.gz DCJDWZPZAAIXNE-UHFFFAOYSA-N -1 1 273.163 3.080 20 0 CGADMM Cc1ccc2nc(-c3cccc([O-])c3F)ncc2c1 ZINC001243543643 823436293 /nfs/dbraw/zinc/43/62/93/823436293.db2.gz VMHICUSMQVHDCO-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM [O-]c1c(F)cc(CN2C3CCC2CC3)cc1Cl ZINC001237990823 819904669 /nfs/dbraw/zinc/90/46/69/819904669.db2.gz YSJBHPGGUSZPNY-UHFFFAOYSA-N -1 1 255.720 3.312 20 0 CGADMM [O-]c1c(F)cc(CN2CC[C@@]3(CC3(F)F)C2)cc1Cl ZINC001237997598 819907662 /nfs/dbraw/zinc/90/76/62/819907662.db2.gz MUBJJLGVCDRHRS-GFCCVEGCSA-N -1 1 291.700 3.416 20 0 CGADMM CN(CCc1ccccn1)Cc1cc(Cl)c([O-])cc1F ZINC001238142591 819941117 /nfs/dbraw/zinc/94/11/17/819941117.db2.gz HHHMBMXOLHWHSC-UHFFFAOYSA-N -1 1 294.757 3.254 20 0 CGADMM COC(=O)c1cnc(-c2ccc(Cl)c([O-])c2)c(C)c1 ZINC001243577018 823451092 /nfs/dbraw/zinc/45/10/92/823451092.db2.gz QTVVZSXNLANJCZ-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM [O-]c1cc(-c2nccc(C(F)F)n2)ccc1Cl ZINC001243579260 823452593 /nfs/dbraw/zinc/45/25/93/823452593.db2.gz QYNNYOZZKLESRG-UHFFFAOYSA-N -1 1 256.639 3.440 20 0 CGADMM Cc1c(C(N)=O)cccc1-c1ccc(Cl)c([O-])c1 ZINC001243581706 823454071 /nfs/dbraw/zinc/45/40/71/823454071.db2.gz RYYJWCZULHVXQD-UHFFFAOYSA-N -1 1 261.708 3.120 20 0 CGADMM CC(=O)Nc1ncc(-c2ccc(Cl)c([O-])c2)cc1C ZINC001243581402 823454135 /nfs/dbraw/zinc/45/41/35/823454135.db2.gz BONPEGFLDSMYRC-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM [O-]c1cc(-c2cnc(OCC3CC3)nc2)ccc1Cl ZINC001243583100 823454711 /nfs/dbraw/zinc/45/47/11/823454711.db2.gz ILCDJTDSEOHIAJ-UHFFFAOYSA-N -1 1 276.723 3.291 20 0 CGADMM CCc1ccc(-c2ccc(C(F)(F)F)cc2[O-])nn1 ZINC001243607956 823465667 /nfs/dbraw/zinc/46/56/67/823465667.db2.gz SAHFHZDEMLTBDL-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1ncnc2c1CCC2 ZINC001243608054 823465707 /nfs/dbraw/zinc/46/57/07/823465707.db2.gz GCVVPNOZHVOGNP-UHFFFAOYSA-N -1 1 280.249 3.357 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1ccc2c(n1)NCCO2 ZINC001243610850 823467200 /nfs/dbraw/zinc/46/72/00/823467200.db2.gz ASFANXPLFDNEOU-UHFFFAOYSA-N -1 1 296.248 3.277 20 0 CGADMM [O-]c1ccc(F)cc1-c1cnc2ccc(F)cc2n1 ZINC001240693284 821248885 /nfs/dbraw/zinc/24/88/85/821248885.db2.gz LBMIAEGSJQIJAL-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Cc1cccc2ncnc(-c3cc(F)ccc3[O-])c12 ZINC001240693816 821249427 /nfs/dbraw/zinc/24/94/27/821249427.db2.gz IPIVTKYZHNPOHW-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM [O-]c1cc(F)c(-c2cc(-c3ncc[nH]3)ccn2)c(F)c1 ZINC001241118046 821573079 /nfs/dbraw/zinc/57/30/79/821573079.db2.gz DOSPXTNYTZTHFJ-UHFFFAOYSA-N -1 1 273.242 3.123 20 0 CGADMM CCOC(=O)c1ccc(C)c(-c2c(F)cc([O-])cc2F)n1 ZINC001241117868 821573133 /nfs/dbraw/zinc/57/31/33/821573133.db2.gz VDXVMUNSFOJGIW-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM CSc1cccnc1-c1c(F)cc([O-])cc1F ZINC001241118015 821573232 /nfs/dbraw/zinc/57/32/32/821573232.db2.gz CFOFRVWXYQEQHP-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM [O-]c1cc(F)c(-c2ncnc3cccc(F)c32)c(F)c1 ZINC001241118042 821573559 /nfs/dbraw/zinc/57/35/59/821573559.db2.gz DLNRXQHPYNOYOY-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM Cc1nc(-c2ccncc2)cc(-c2c(F)cc([O-])cc2F)n1 ZINC001241120143 821576107 /nfs/dbraw/zinc/57/61/07/821576107.db2.gz VDAOGCBCPVNVHG-UHFFFAOYSA-N -1 1 299.280 3.498 20 0 CGADMM CCOc1cncc(-c2c(F)cc([O-])cc2F)c1 ZINC001241122378 821578213 /nfs/dbraw/zinc/57/82/13/821578213.db2.gz BJOSYVWSKALVGX-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM [O-]c1cc(F)c(-c2cnc3ccncc3c2)c(F)c1 ZINC001241122628 821579967 /nfs/dbraw/zinc/57/99/67/821579967.db2.gz IPQHPURJRANGGL-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Cc1nc2c(ncc(-c3c(F)cc([O-])cc3F)c2C)[nH]1 ZINC001241125444 821581383 /nfs/dbraw/zinc/58/13/83/821581383.db2.gz XABPODTVDQWRAB-UHFFFAOYSA-N -1 1 275.258 3.226 20 0 CGADMM COc1cc(F)c(-c2c(F)cc([O-])cc2F)cc1OC ZINC001241125046 821581513 /nfs/dbraw/zinc/58/15/13/821581513.db2.gz QPFLSMJLDMBYMH-UHFFFAOYSA-N -1 1 284.233 3.494 20 0 CGADMM CN(C)Cc1cccc(-c2ccc(C(=O)[O-])c(F)c2)c1F ZINC001241187697 821625100 /nfs/dbraw/zinc/62/51/00/821625100.db2.gz TZIPQPWSSULANS-UHFFFAOYSA-N -1 1 291.297 3.392 20 0 CGADMM [O-]c1ccc(F)c(-c2ncc3sccc3n2)c1F ZINC001241289561 821706028 /nfs/dbraw/zinc/70/60/28/821706028.db2.gz BERPTFWTUHEHLJ-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc(C(F)F)n2)c1F ZINC001241289130 821706166 /nfs/dbraw/zinc/70/61/66/821706166.db2.gz LTSNAUKBECTWHH-UHFFFAOYSA-N -1 1 258.174 3.065 20 0 CGADMM CCOC(=O)c1ccc(C)c(-c2c(F)ccc([O-])c2F)n1 ZINC001241290044 821706237 /nfs/dbraw/zinc/70/62/37/821706237.db2.gz HPNUIHAAVGUAHB-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM [O-]c1ccc(F)c(-c2ncc(-c3cccnc3)cn2)c1F ZINC001241289524 821706652 /nfs/dbraw/zinc/70/66/52/821706652.db2.gz ADBWSIHEGCLNKA-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc(OC(F)(F)F)cn2)c1F ZINC001241290583 821706837 /nfs/dbraw/zinc/70/68/37/821706837.db2.gz AIPJNKAXWXSTAX-UHFFFAOYSA-N -1 1 292.163 3.026 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3ccsc32)c1F ZINC001241291019 821708052 /nfs/dbraw/zinc/70/80/52/821708052.db2.gz UCNVQFJQZSMUFX-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM CN(C)Cc1cccc(-c2cc(F)cc(C(=O)[O-])c2)c1F ZINC001241837369 822172667 /nfs/dbraw/zinc/17/26/67/822172667.db2.gz RWNSJBIMYMYWFJ-UHFFFAOYSA-N -1 1 291.297 3.392 20 0 CGADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(C2=CCOCC2)cc1 ZINC001242079465 822339221 /nfs/dbraw/zinc/33/92/21/822339221.db2.gz HEPVNNOONMIKDT-JTQLQIEISA-N -1 1 299.292 3.230 20 0 CGADMM COc1ccnc(-c2cc(C(F)(F)F)ccc2[O-])c1 ZINC001242125912 822886135 /nfs/dbraw/zinc/88/61/35/822886135.db2.gz ADPUPYOBEHOLDI-UHFFFAOYSA-N -1 1 269.222 3.482 20 0 CGADMM Nc1cccc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242131340 822888503 /nfs/dbraw/zinc/88/85/03/822888503.db2.gz HVSNTURZJBESRN-UHFFFAOYSA-N -1 1 254.211 3.055 20 0 CGADMM CCc1cncnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242131096 822888586 /nfs/dbraw/zinc/88/85/86/822888586.db2.gz BDNWFOOLDFMRJS-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM COCc1cc(-c2cc(C(F)(F)F)ccc2[O-])nc(C)n1 ZINC001242131494 822888594 /nfs/dbraw/zinc/88/85/94/822888594.db2.gz LVYVEJWMPBGNFO-UHFFFAOYSA-N -1 1 298.264 3.323 20 0 CGADMM Nc1cc(-c2cc(C(F)(F)F)ccc2[O-])ncc1F ZINC001242132638 822889272 /nfs/dbraw/zinc/88/92/72/822889272.db2.gz XCQIORACIPHDDE-UHFFFAOYSA-N -1 1 272.201 3.194 20 0 CGADMM COc1cccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242151384 822895832 /nfs/dbraw/zinc/89/58/32/822895832.db2.gz LFXGPFHYWWCGMF-UHFFFAOYSA-N -1 1 269.222 3.482 20 0 CGADMM CCOc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ncn1 ZINC001242153151 822896685 /nfs/dbraw/zinc/89/66/85/822896685.db2.gz SEGONKWMGMHYOF-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM [O-]c1ccc(-c2nccn3ccnc23)cc1C(F)(F)F ZINC001242162044 822900144 /nfs/dbraw/zinc/90/01/44/822900144.db2.gz JWWMKQMSFWWTSV-UHFFFAOYSA-N -1 1 279.221 3.121 20 0 CGADMM CCOC(=O)c1ccc(OC)cc1-c1ccc(F)cc1[O-] ZINC001242219428 822915710 /nfs/dbraw/zinc/91/57/10/822915710.db2.gz STCKUQQYSBOKMN-UHFFFAOYSA-N -1 1 290.290 3.384 20 0 CGADMM COC(=O)c1ccc(F)c(-c2cccc(F)c2[O-])c1 ZINC001242350426 822960601 /nfs/dbraw/zinc/96/06/01/822960601.db2.gz FHGBCBAVPAAQSE-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM COC(=O)c1cccc(F)c1-c1cccc(F)c1[O-] ZINC001242352007 822961660 /nfs/dbraw/zinc/96/16/60/822961660.db2.gz HKJJWWNBPIPVGE-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM CS(=O)(=O)c1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242364330 822967975 /nfs/dbraw/zinc/96/79/75/822967975.db2.gz HXTPKAAIHBOJKK-UHFFFAOYSA-N -1 1 282.748 3.116 20 0 CGADMM COc1ccc(C(=O)[O-])cc1-c1cc2nc[nH]c2cc1C ZINC001242390230 822978688 /nfs/dbraw/zinc/97/86/88/822978688.db2.gz AGUZPBDSCYKJPK-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM COc1ccc(C(=O)[O-])cc1-c1ccc2nc(C)[nH]c2c1 ZINC001242390495 822978779 /nfs/dbraw/zinc/97/87/79/822978779.db2.gz PNIUMXBJYMQWDF-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM CC(C)C1(CNC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000232643721 928208173 /nfs/dbraw/zinc/20/81/73/928208173.db2.gz GICQGRWSHWOGFY-UHFFFAOYSA-N -1 1 267.756 3.212 20 0 CGADMM C[C@H](C1CC1)N(C(=O)c1cc(Cl)ccc1[O-])C1CC1 ZINC001442631853 937343555 /nfs/dbraw/zinc/34/35/55/937343555.db2.gz HLDFKDLBOLJOIQ-SECBINFHSA-N -1 1 279.767 3.449 20 0 CGADMM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001443161689 937345903 /nfs/dbraw/zinc/34/59/03/937345903.db2.gz LQFIZYWHPYHSOA-STQMWFEESA-N -1 1 276.380 3.122 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)CCC(C)(C)C)c([O-])c1 ZINC001444289756 937351436 /nfs/dbraw/zinc/35/14/36/937351436.db2.gz DBBNZYHTJCAZFP-NSHDSACASA-N -1 1 264.369 3.040 20 0 CGADMM Cc1cnc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1C ZINC001446465525 937363238 /nfs/dbraw/zinc/36/32/38/937363238.db2.gz CGCDCVDFMZIWJY-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM Cc1nc(Cl)ccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001448733078 937376829 /nfs/dbraw/zinc/37/68/29/937376829.db2.gz VSLWIUFLQOOISR-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM Cc1csc([C@H](C)C(=O)Nc2cc(F)cc(F)c2[O-])n1 ZINC001451751060 937391707 /nfs/dbraw/zinc/39/17/07/937391707.db2.gz GZQGHLKTJWHBPU-SSDOTTSWSA-N -1 1 298.314 3.178 20 0 CGADMM O=C(N[C@H](C1CCC1)C1CCCCC1)c1ccc([O-])cn1 ZINC001452183805 937394739 /nfs/dbraw/zinc/39/47/39/937394739.db2.gz HQAKZYIHMQFHDS-INIZCTEOSA-N -1 1 288.391 3.266 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1C[C@H]2CCCC[C@H]21 ZINC001452893739 937399000 /nfs/dbraw/zinc/39/90/00/937399000.db2.gz DLKCELPTHXUQIY-ZYHUDNBSSA-N -1 1 299.292 3.426 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cccc(F)c2[O-])nc1 ZINC001454767189 937412184 /nfs/dbraw/zinc/41/21/84/937412184.db2.gz HCFBNTVILCLRAS-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM CCc1cnc(NC(=O)c2ccc(C(C)C)cc2[O-])o1 ZINC001456486039 937431419 /nfs/dbraw/zinc/43/14/19/937431419.db2.gz ILKCJGWVJJYJGK-UHFFFAOYSA-N -1 1 274.320 3.318 20 0 CGADMM C[C@@H](Oc1cc([O-])cc2oc(=O)ccc12)c1ccco1 ZINC001229130688 932102003 /nfs/dbraw/zinc/10/20/03/932102003.db2.gz BTEVMMHWYRPMNP-SECBINFHSA-N -1 1 272.256 3.232 20 0 CGADMM C[C@@H]1CCC[C@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229132955 932102152 /nfs/dbraw/zinc/10/21/52/932102152.db2.gz ZARAPDAPMDTRNH-PWSUYJOCSA-N -1 1 274.316 3.456 20 0 CGADMM C[C@H](Oc1cc([O-])cc2oc(=O)ccc12)c1ccccn1 ZINC001229135532 932103322 /nfs/dbraw/zinc/10/33/22/932103322.db2.gz NESRTLSIHAKFEO-JTQLQIEISA-N -1 1 283.283 3.034 20 0 CGADMM [O-]c1cc(O[C@@H]2CCOC[C@@H]2F)c(Cl)cc1Cl ZINC001229406444 932146097 /nfs/dbraw/zinc/14/60/97/932146097.db2.gz VIJWZLGNPNDYBQ-WCBMZHEXSA-N -1 1 281.110 3.205 20 0 CGADMM O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1c([O-])cccc1Cl ZINC001303697661 932832002 /nfs/dbraw/zinc/83/20/02/932832002.db2.gz FUNPPNLKOUMQCU-HBNTYKKESA-N -1 1 279.767 3.212 20 0 CGADMM [O-]c1ccc(CN[C@H]2C[C@@]2(F)c2ccccc2)c(F)c1F ZINC001462366117 937635622 /nfs/dbraw/zinc/63/56/22/937635622.db2.gz WEFBRSPEWVRMJL-XJKSGUPXSA-N -1 1 293.288 3.397 20 0 CGADMM C[C@H]1CC[C@H](C)N(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001313237206 933436971 /nfs/dbraw/zinc/43/69/71/933436971.db2.gz SCEWUNOOBLSRLY-QWRGUYRKSA-N -1 1 296.798 3.376 20 0 CGADMM CCN(C(=O)c1ccc([O-])cn1)c1cc(C)cc(C)c1 ZINC001464371827 937689704 /nfs/dbraw/zinc/68/97/04/937689704.db2.gz JGFHXZXSXLTNJK-UHFFFAOYSA-N -1 1 270.332 3.071 20 0 CGADMM C[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001465409194 937700767 /nfs/dbraw/zinc/70/07/67/937700767.db2.gz OQVDWVWQJKXRNY-MRVPVSSYSA-N -1 1 273.254 3.036 20 0 CGADMM CCCC1(CNC(=O)c2ncc3ccccc3c2[O-])CC1 ZINC001465994426 937705642 /nfs/dbraw/zinc/70/56/42/937705642.db2.gz CATSRCVRYIUVST-UHFFFAOYSA-N -1 1 284.359 3.251 20 0 CGADMM CC1(C)CCC(CNC(=O)c2ccc(F)c([O-])c2)CC1 ZINC001466652741 937711055 /nfs/dbraw/zinc/71/10/55/937711055.db2.gz QWGFGRWMJXBXOL-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM O=C(NCC=C(Cl)Cl)Nc1ccc([O-])c(Cl)c1 ZINC001467328675 937717418 /nfs/dbraw/zinc/71/74/18/937717418.db2.gz LYGOSCGLUZZFMU-UHFFFAOYSA-N -1 1 295.553 3.486 20 0 CGADMM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc([O-])cn2)C1 ZINC001467869009 937723239 /nfs/dbraw/zinc/72/32/39/937723239.db2.gz HNMJTAZNAUMCCY-WBMJQRKESA-N -1 1 282.343 3.011 20 0 CGADMM Cc1csc(CCC(=O)Nc2ccc([O-])c(F)c2F)n1 ZINC001468002862 937723882 /nfs/dbraw/zinc/72/38/82/937723882.db2.gz BDXCMTCSXOSYGN-UHFFFAOYSA-N -1 1 298.314 3.007 20 0 CGADMM Cc1ccc(F)c(CC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001468748260 937731345 /nfs/dbraw/zinc/73/13/45/937731345.db2.gz UUEPWNRDDBANEL-UHFFFAOYSA-N -1 1 295.260 3.299 20 0 CGADMM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC001469658116 937741898 /nfs/dbraw/zinc/74/18/98/937741898.db2.gz IPDRXFGFOSFQAE-XYPYZODXSA-N -1 1 297.782 3.122 20 0 CGADMM Cc1occc1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001320783604 934103310 /nfs/dbraw/zinc/10/33/10/934103310.db2.gz WAVVRORPYOPIBZ-UHFFFAOYSA-N -1 1 296.120 3.308 20 0 CGADMM C[C@@H]1Cc2cc(C(=O)Nc3c([O-])cccc3F)ccc2O1 ZINC001469929556 937745906 /nfs/dbraw/zinc/74/59/06/937745906.db2.gz STUHABQPTSYOSO-SECBINFHSA-N -1 1 287.290 3.107 20 0 CGADMM Cc1cnc(C(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)c([O-])c1 ZINC001470384784 937752163 /nfs/dbraw/zinc/75/21/63/937752163.db2.gz HJAUHCGHUHYGDA-HOCLYGCPSA-N -1 1 296.370 3.018 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N1C[C@H]2CCCC[C@H]21 ZINC001471236675 937763409 /nfs/dbraw/zinc/76/34/09/937763409.db2.gz XWMLRUMWDZVTAZ-DGCLKSJQSA-N -1 1 294.782 3.130 20 0 CGADMM COc1ccc(C(=O)Nc2c[nH]c3ccccc23)c([O-])c1 ZINC001472087957 937772541 /nfs/dbraw/zinc/77/25/41/937772541.db2.gz ZPPQIFBFCLRCLH-UHFFFAOYSA-N -1 1 282.299 3.134 20 0 CGADMM CC(F)(F)C[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001324454626 934507040 /nfs/dbraw/zinc/50/70/40/934507040.db2.gz QOOPAVOEIXGNRO-UHFFFAOYSA-N -1 1 283.652 3.203 20 0 CGADMM Cc1nc(-c2ccc(NC/C=C/C3CC3)nc2)[n-]c(=O)c1C ZINC001324475490 934511842 /nfs/dbraw/zinc/51/18/42/934511842.db2.gz KYYYTKARMNJOLG-ONEGZZNKSA-N -1 1 296.374 3.239 20 0 CGADMM O=C([N-]c1c(F)ccnc1F)c1cc(F)c(F)cc1F ZINC001324630021 934535411 /nfs/dbraw/zinc/53/54/11/934535411.db2.gz NOCKZVNZQLDZRE-UHFFFAOYSA-N -1 1 288.175 3.029 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CC2CCC1CC2 ZINC001472546307 937777320 /nfs/dbraw/zinc/77/73/20/937777320.db2.gz MGQLAZMEMAMZNH-UDNWOFFPSA-N -1 1 280.755 3.205 20 0 CGADMM CC(C)(C)C1CCC(CC(=O)Nc2c[n-][nH]c2=O)CC1 ZINC001472570968 937777970 /nfs/dbraw/zinc/77/79/70/937777970.db2.gz XLRMXTGEEDHQKM-UHFFFAOYSA-N -1 1 279.384 3.296 20 0 CGADMM Cc1cnc(SCc2cc(-c3ccccc3)on2)[n-]c1=O ZINC001473035709 937790833 /nfs/dbraw/zinc/79/08/33/937790833.db2.gz KMTVRCOQRANQGL-UHFFFAOYSA-N -1 1 299.355 3.438 20 0 CGADMM CC(C)[C@@H](C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001326931675 935016629 /nfs/dbraw/zinc/01/66/29/935016629.db2.gz UFAVYYXDDWXUOX-MRVPVSSYSA-N -1 1 286.169 3.385 20 0 CGADMM CC(C)(C)CC[C@@H](NCc1cc2cccnc2o1)C(=O)[O-] ZINC001331931652 935423559 /nfs/dbraw/zinc/42/35/59/935423559.db2.gz JBZUJFOKDZDQKT-CYBMUJFWSA-N -1 1 290.363 3.197 20 0 CGADMM CCC[C@H](C)C[C@@H](NCc1cc2cccnc2o1)C(=O)[O-] ZINC001332473031 935472951 /nfs/dbraw/zinc/47/29/51/935472951.db2.gz CNJVXSMSIKYCBJ-SMDDNHRTSA-N -1 1 290.363 3.197 20 0 CGADMM Cc1noc(C(F)F)c1C(=O)[N-]c1noc2c1CCCC2 ZINC001337723813 936283535 /nfs/dbraw/zinc/28/35/35/936283535.db2.gz XSRSXPHYLZQEKU-UHFFFAOYSA-N -1 1 297.261 3.040 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1C(F)F ZINC001514966648 938004088 /nfs/dbraw/zinc/00/40/88/938004088.db2.gz PNESUOPTVZUZGW-ZDUSSCGKSA-N -1 1 291.297 3.415 20 0 CGADMM CC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC001538344554 938117448 /nfs/dbraw/zinc/11/74/48/938117448.db2.gz NRTGTYLVTHTTNE-SECBINFHSA-N -1 1 281.224 3.236 20 0 CGADMM CCCCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001538705394 938120164 /nfs/dbraw/zinc/12/01/64/938120164.db2.gz ITKBPHGIXOZNDT-UHFFFAOYSA-N -1 1 275.270 3.331 20 0 CGADMM CSc1c(F)cccc1[N-]C(=O)c1coc(C)n1 ZINC001538802382 938120665 /nfs/dbraw/zinc/12/06/65/938120665.db2.gz JUWFIRZJNBILBQ-UHFFFAOYSA-N -1 1 266.297 3.096 20 0 CGADMM Cc1nc2ccc(NC(=O)c3ccc(F)c([O-])c3)cc2o1 ZINC001540727479 938133410 /nfs/dbraw/zinc/13/34/10/938133410.db2.gz VFUURRPNZYYFKT-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM CC(C)C[C@H]1CCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001542754619 938136837 /nfs/dbraw/zinc/13/68/37/938136837.db2.gz RLAPMQXFTLHDOU-GFCCVEGCSA-N -1 1 265.328 3.182 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCCCC2(CCC2)C1 ZINC001551632076 938183089 /nfs/dbraw/zinc/18/30/89/938183089.db2.gz NGDHZLVCAVENQG-UHFFFAOYSA-N -1 1 277.339 3.328 20 0 CGADMM CCc1nc(C)c(C(=O)Nc2cc([O-])c(F)cc2F)s1 ZINC001556919920 938206476 /nfs/dbraw/zinc/20/64/76/938206476.db2.gz WGZBDLIEZQCKKH-UHFFFAOYSA-N -1 1 298.314 3.250 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cccc(F)c2[O-])c(=O)[nH]1 ZINC001557957161 938212787 /nfs/dbraw/zinc/21/27/87/938212787.db2.gz RYPOQHOAQOPRJT-UHFFFAOYSA-N -1 1 290.294 3.008 20 0 CGADMM Cc1ccc([C@@H](C)NCc2cccc(C(=O)[O-])n2)cc1F ZINC000235216700 960399015 /nfs/dbraw/zinc/39/90/15/960399015.db2.gz WAMGMAGDTXPMIU-LLVKDONJSA-N -1 1 288.322 3.078 20 0 CGADMM Cn1c(=O)ccc2cc(-c3cc(F)c([O-])c(F)c3)ccc21 ZINC001244093584 960417264 /nfs/dbraw/zinc/41/72/64/960417264.db2.gz JACGORRMZSZXRB-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM O=C([O-])[C@@H](NC/C=C\C1CC1)c1c(F)cccc1Cl ZINC001601672609 960541922 /nfs/dbraw/zinc/54/19/22/960541922.db2.gz VOAPAPMQCLFSQE-ZRMMWKCHSA-N -1 1 283.730 3.161 20 0 CGADMM C[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001564637948 960585618 /nfs/dbraw/zinc/58/56/18/960585618.db2.gz OGEDPDBZQLYEBD-ZYHUDNBSSA-N -1 1 296.798 3.281 20 0 CGADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc([O-])c2F)C1 ZINC001565660382 960800759 /nfs/dbraw/zinc/80/07/59/960800759.db2.gz VMONSXVUJJEQIQ-RYUDHWBXSA-N -1 1 279.355 3.476 20 0 CGADMM CC[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)[C@@H]1C ZINC001567819140 961431435 /nfs/dbraw/zinc/43/14/35/961431435.db2.gz WJUGOXMTCSKMBV-ZJUUUORDSA-N -1 1 267.756 3.306 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc2c(cccc2F)s1 ZINC001569835850 961851281 /nfs/dbraw/zinc/85/12/81/961851281.db2.gz HBWGAKSTMNBJSA-UHFFFAOYSA-N -1 1 291.307 3.030 20 0 CGADMM Cc1c(Cl)cc(NC(=O)c2cnncc2[O-])cc1Cl ZINC001569999291 961881786 /nfs/dbraw/zinc/88/17/86/961881786.db2.gz GQJDROKOTPTTLV-UHFFFAOYSA-N -1 1 298.129 3.050 20 0 CGADMM CC[C@H](C(=O)[O-])N(C)Cc1cc(C(C)(C)C)oc1C ZINC001573768963 962276248 /nfs/dbraw/zinc/27/62/48/962276248.db2.gz XIZZMSUJZGVDMG-GFCCVEGCSA-N -1 1 267.369 3.181 20 0 CGADMM Cc1cccc([C@@H](NCc2cc(F)ccc2F)C(=O)[O-])c1 ZINC001574394818 962300516 /nfs/dbraw/zinc/30/05/16/962300516.db2.gz FGJKCHFJVZYJSS-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM CC1(C)CC[C@H](NC(=O)c2ccc([O-])cn2)c2ccccc21 ZINC001583707752 962850268 /nfs/dbraw/zinc/85/02/68/962850268.db2.gz DREQLCMJFRYWDS-HNNXBMFYSA-N -1 1 296.370 3.330 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2cccc([O-])c2F)[C@H](C)C1 ZINC001586187428 963075907 /nfs/dbraw/zinc/07/59/07/963075907.db2.gz FUCWZXSWPRAQEJ-CKYFFXLPSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(Nc1ccc2occc2c1)c1ccc(O)cc1[O-] ZINC001587385034 963192079 /nfs/dbraw/zinc/19/20/79/963192079.db2.gz GCACFRBUSBTORX-UHFFFAOYSA-N -1 1 269.256 3.096 20 0 CGADMM O=C([O-])c1ccc(F)c(CN2CCC(C(F)F)CC2)c1 ZINC000307874574 963236918 /nfs/dbraw/zinc/23/69/18/963236918.db2.gz PJTZIHIKMWKAHZ-UHFFFAOYSA-N -1 1 287.281 3.001 20 0 CGADMM C/C(=C\C(=O)[O-])CN1CC[C@H]1c1ccc(Cl)cc1 ZINC001588949401 963332671 /nfs/dbraw/zinc/33/26/71/963332671.db2.gz QYEYAAHXUGKDII-FROQITRMSA-N -1 1 265.740 3.118 20 0 CGADMM CC(C)C[C@@H](C)CSCc1nc(-c2nnn[n-]2)cs1 ZINC001589549908 964000068 /nfs/dbraw/zinc/00/00/68/964000068.db2.gz LIWTYOSBNUKXQN-SECBINFHSA-N -1 1 297.453 3.239 20 0 CGADMM CC(C)C[C@@H](C)CSCc1nc(-c2nn[n-]n2)cs1 ZINC001589549908 964000075 /nfs/dbraw/zinc/00/00/75/964000075.db2.gz LIWTYOSBNUKXQN-SECBINFHSA-N -1 1 297.453 3.239 20 0 CGADMM Cc1c(Cl)ccc(CN(C)CCC(=O)[O-])c1Cl ZINC001605082158 972721870 /nfs/dbraw/zinc/72/18/70/972721870.db2.gz UMIPCDVKRSFWSS-UHFFFAOYSA-N -1 1 276.163 3.208 20 0 CGADMM CC[C@@H]1CN(Cc2cc(C(=O)[O-])sc2C)C[C@@H](CC)O1 ZINC000398620043 973158657 /nfs/dbraw/zinc/15/86/57/973158657.db2.gz GEQPUYQJMFFGFT-CHWSQXEVSA-N -1 1 297.420 3.144 20 0 CGADMM CC(C)O[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001591737129 975732658 /nfs/dbraw/zinc/73/26/58/975732658.db2.gz IFUVPCJHOQRNMJ-GFCCVEGCSA-N -1 1 297.782 3.038 20 0 CGADMM CC[C@@H](NCc1cccc(F)n1)c1ccc(C(=O)[O-])cc1 ZINC001595301001 980436210 /nfs/dbraw/zinc/43/62/10/980436210.db2.gz VEQUOCXYSHOHDO-CQSZACIVSA-N -1 1 288.322 3.160 20 0 CGADMM CC[C@@H]1COC(C)(C)CN1Cc1ccc(C)c(C(=O)[O-])c1 ZINC001595497790 981258424 /nfs/dbraw/zinc/25/84/24/981258424.db2.gz IYMGWHYZJZBRAE-CQSZACIVSA-N -1 1 291.391 3.083 20 0 CGADMM CC[C@@H]1c2ccccc2CCN1Cc1cccc(C(=O)[O-])n1 ZINC001595505174 981282222 /nfs/dbraw/zinc/28/22/22/981282222.db2.gz ZVKHWHJJJHCYIV-QGZVFWFLSA-N -1 1 296.370 3.289 20 0 CGADMM CCCc1nc(C)cc(OCc2nccs2)c1C(=O)[O-] ZINC001596090333 983415477 /nfs/dbraw/zinc/41/54/77/983415477.db2.gz ZLKQGSSWABSDFG-UHFFFAOYSA-N -1 1 292.360 3.076 20 0 CGADMM C[C@@H](N[C@H](C)c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593196318 994154505 /nfs/dbraw/zinc/15/45/05/994154505.db2.gz HHOXAGDZBQMJBH-GHMZBOCLSA-N -1 1 259.305 3.390 20 0 CGADMM C[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1ccsc1 ZINC001593295834 994692212 /nfs/dbraw/zinc/69/22/12/994692212.db2.gz HRDSYCVDPIMKSW-ORAHPGNNSA-N -1 1 277.345 3.290 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CCCC(C)(C)C1 ZINC001593732531 996313896 /nfs/dbraw/zinc/31/38/96/996313896.db2.gz WHAPLAOJPRODSU-SECBINFHSA-N -1 1 268.382 3.024 20 0 CGADMM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+]Cc1ccc([O-])c(Cl)c1 ZINC001594185686 998719732 /nfs/dbraw/zinc/71/97/32/998719732.db2.gz RCDIQEZNLIFNMQ-CDMKHQONSA-N -1 1 297.782 3.025 20 0 CGADMM CO[C@H](CN[C@H](C(=O)[O-])c1ccsc1)C1CCCCC1 ZINC001599053739 999207639 /nfs/dbraw/zinc/20/76/39/999207639.db2.gz MRNXLIWHLDYAKH-KGLIPLIRSA-N -1 1 297.420 3.059 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1)c1cc(F)ccc1[O-] ZINC000095598270 185015120 /nfs/dbraw/zinc/01/51/20/185015120.db2.gz NCRQKKRSBVCLCR-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cncc(Cl)c2)n1 ZINC000621994723 349619391 /nfs/dbraw/zinc/61/93/91/349619391.db2.gz DOWQGYACFKNKAL-UHFFFAOYSA-N -1 1 281.768 3.085 20 0 CGADMM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(F)cc2[O-])c1C ZINC000358605847 529441565 /nfs/dbraw/zinc/44/15/65/529441565.db2.gz BAUMEJQHAVEGAQ-SECBINFHSA-N -1 1 291.326 3.260 20 0 CGADMM CC[C@@H](C)n1ncc(NC(=O)c2cc(F)ccc2[O-])c1C ZINC000436581932 529443783 /nfs/dbraw/zinc/44/37/83/529443783.db2.gz HCBLMRDUALYJJR-SECBINFHSA-N -1 1 291.326 3.260 20 0 CGADMM O=C(NC1(c2ccccc2)CCC1)c1cc(F)ccc1[O-] ZINC000622297375 349669648 /nfs/dbraw/zinc/66/96/48/349669648.db2.gz WGZBNNFTVLWPJY-UHFFFAOYSA-N -1 1 285.318 3.341 20 0 CGADMM Cc1cc(-c2nc3cccc(F)c3c(=O)[n-]2)ccc1F ZINC000591726060 346933649 /nfs/dbraw/zinc/93/36/49/346933649.db2.gz DHAWKIVTSGRQAY-UHFFFAOYSA-N -1 1 272.254 3.177 20 0 CGADMM CC(C)O[N-]C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000295516968 199543077 /nfs/dbraw/zinc/54/30/77/199543077.db2.gz IEEXCWKIJBOEFB-LBPRGKRZSA-N -1 1 277.364 3.085 20 0 CGADMM CN(CC[C@H]1CCCO1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436792606 529932165 /nfs/dbraw/zinc/93/21/65/529932165.db2.gz OFZRVDBZOTXMLC-OAHLLOKOSA-N -1 1 299.370 3.187 20 0 CGADMM Cc1ccc(C[N@@H+](CC(=O)[O-])Cc2ccccc2)cc1 ZINC000032117264 344929803 /nfs/dbraw/zinc/92/98/03/344929803.db2.gz QNBPBIXFJYAGJD-UHFFFAOYSA-N -1 1 269.344 3.082 20 0 CGADMM Cc1ccc(CN(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000032117264 344929807 /nfs/dbraw/zinc/92/98/07/344929807.db2.gz QNBPBIXFJYAGJD-UHFFFAOYSA-N -1 1 269.344 3.082 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(F)cc1 ZINC000051361524 345088979 /nfs/dbraw/zinc/08/89/79/345088979.db2.gz MXYLMQXYVBNYRO-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000155010053 232222078 /nfs/dbraw/zinc/22/20/78/232222078.db2.gz FLWZFFNPTYBGBO-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)NC1CCCCC1 ZINC000085204567 345745023 /nfs/dbraw/zinc/74/50/23/345745023.db2.gz NBVPSHQNHIZYOE-UHFFFAOYSA-N -1 1 268.744 3.500 20 0 CGADMM O=C([O-])C[C@@H]1CCCN1Cc1cc(Cl)ccc1Cl ZINC000087761503 345757041 /nfs/dbraw/zinc/75/70/41/345757041.db2.gz LXMGSRVUEPPSQA-NSHDSACASA-N -1 1 288.174 3.433 20 0 CGADMM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1cccs1 ZINC000091780468 345823334 /nfs/dbraw/zinc/82/33/34/345823334.db2.gz UKDVPXPIMRYSJY-VIFPVBQESA-N -1 1 265.334 3.232 20 0 CGADMM O=c1c2c([n-]n1Cc1cccc(F)c1)CCCCC2 ZINC000107892836 345935910 /nfs/dbraw/zinc/93/59/10/345935910.db2.gz HTKFIVAKNSKJQI-CYBMUJFWSA-N -1 1 260.312 3.104 20 0 CGADMM O=C(c1ccccc1[O-])N(CC1CC1)c1ccccc1 ZINC000175387761 232318456 /nfs/dbraw/zinc/31/84/56/232318456.db2.gz YKWMTTHIMPRCGB-UHFFFAOYSA-N -1 1 267.328 3.449 20 0 CGADMM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)cc2F)C1 ZINC000162550817 346178594 /nfs/dbraw/zinc/17/85/94/346178594.db2.gz JOQXAKVRIPKJAD-CQSZACIVSA-N -1 1 285.746 3.166 20 0 CGADMM COc1cc(C(=O)N[C@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000153813880 346146702 /nfs/dbraw/zinc/14/67/02/346146702.db2.gz GZKZIAKMGNAMFJ-MRVPVSSYSA-N -1 1 285.771 3.219 20 0 CGADMM CCCc1[n-]n(-c2ccccc2C(=O)OC)c(=O)c1CC ZINC000601951141 347928658 /nfs/dbraw/zinc/92/86/58/347928658.db2.gz ZTADHHGMUKAZRA-NSHDSACASA-N -1 1 288.347 3.002 20 0 CGADMM O=C(CCc1ccsc1)Nc1c([O-])cccc1F ZINC000605436939 348155094 /nfs/dbraw/zinc/15/50/94/348155094.db2.gz NPWYHFLVYCMXAS-UHFFFAOYSA-N -1 1 265.309 3.164 20 0 CGADMM CCOc1ccc(CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000605437733 348155282 /nfs/dbraw/zinc/15/52/82/348155282.db2.gz PUFCNNYDUKIJOJ-UHFFFAOYSA-N -1 1 289.306 3.111 20 0 CGADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)s1 ZINC000605438076 348155661 /nfs/dbraw/zinc/15/56/61/348155661.db2.gz CIRVFCSNTSQWCQ-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000608365928 348301592 /nfs/dbraw/zinc/30/15/92/348301592.db2.gz VVFNIYNVKRBEOO-RYUDHWBXSA-N -1 1 289.281 3.413 20 0 CGADMM Cc1ccc(F)c(C(=O)Nc2c([O-])cccc2F)c1 ZINC000608365188 348301604 /nfs/dbraw/zinc/30/16/04/348301604.db2.gz ARDGLYFNCWTJAE-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CSc1ccc(C(=O)Nc2c([O-])cccc2F)o1 ZINC000608365237 348301638 /nfs/dbraw/zinc/30/16/38/348301638.db2.gz CUXYSJOGEIGXTA-UHFFFAOYSA-N -1 1 267.281 3.099 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc(Cl)o1 ZINC000608367152 348302502 /nfs/dbraw/zinc/30/25/02/348302502.db2.gz VIPSZSSRZBGXNX-UHFFFAOYSA-N -1 1 255.632 3.030 20 0 CGADMM CC(C)C[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000611729196 348472455 /nfs/dbraw/zinc/47/24/55/348472455.db2.gz LEVSZZVEZQNCLV-ZDUSSCGKSA-N -1 1 298.386 3.449 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H]1C(F)(F)F ZINC000615032141 348709870 /nfs/dbraw/zinc/70/98/70/348709870.db2.gz DZKQVADYRVKYKT-LBPRGKRZSA-N -1 1 295.260 3.322 20 0 CGADMM CC(C)(NC(=O)c1ncc2ccccc2c1[O-])C(F)(F)F ZINC000616205067 348798161 /nfs/dbraw/zinc/79/81/61/348798161.db2.gz FVQQJUYDBLLCME-UHFFFAOYSA-N -1 1 298.264 3.011 20 0 CGADMM CCC[C@@H](C(=O)Nc1c([O-])cccc1F)c1ccccn1 ZINC000618032574 349039738 /nfs/dbraw/zinc/03/97/38/349039738.db2.gz MOOVBMHUBIDZEB-LLVKDONJSA-N -1 1 288.322 3.449 20 0 CGADMM CCOc1cc(C(=O)N(CC)C(C)C)cc(Cl)c1[O-] ZINC000273971402 192384777 /nfs/dbraw/zinc/38/47/77/192384777.db2.gz ROJPSAFSAUPXDX-UHFFFAOYSA-N -1 1 285.771 3.315 20 0 CGADMM Cc1cnc(C(=O)N(Cc2ccccc2)C(C)C)c([O-])c1 ZINC000358902430 233211697 /nfs/dbraw/zinc/21/16/97/233211697.db2.gz JVNCTXVXXMYCFQ-UHFFFAOYSA-N -1 1 284.359 3.146 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]2CC[C@@H](C1)S2 ZINC000628656010 350586024 /nfs/dbraw/zinc/58/60/24/350586024.db2.gz SPHVEYRZWKLOAP-MNOVXSKESA-N -1 1 297.807 3.156 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCC2(CC2)C1 ZINC000628959991 350625623 /nfs/dbraw/zinc/62/56/23/350625623.db2.gz HEKVLHIIBIAIMK-SNVBAGLBSA-N -1 1 263.312 3.440 20 0 CGADMM CCCC(O)(CCC)CC(=O)Nc1cccc(F)c1[O-] ZINC000628960822 350626481 /nfs/dbraw/zinc/62/64/81/350626481.db2.gz ZCSGOSQRKNRGCF-UHFFFAOYSA-N -1 1 283.343 3.191 20 0 CGADMM CCOCCC1(C(=O)Nc2cccc(F)c2[O-])CCC1 ZINC000628960559 350626504 /nfs/dbraw/zinc/62/65/04/350626504.db2.gz NFHCZVOMTAUJJU-UHFFFAOYSA-N -1 1 281.327 3.067 20 0 CGADMM Cc1oc(CN(C)Cc2ccc(C)c(F)c2)cc1C(=O)[O-] ZINC000629360654 350677453 /nfs/dbraw/zinc/67/74/53/350677453.db2.gz XJOATIGEHFEONA-UHFFFAOYSA-N -1 1 291.322 3.366 20 0 CGADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H]1CCCC12CC2 ZINC000629379522 350685079 /nfs/dbraw/zinc/68/50/79/350685079.db2.gz DTKJWRXNBGOOGK-CQSZACIVSA-N -1 1 297.358 3.097 20 0 CGADMM C[C@H]1CCC[C@H](C)N1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630923704 350910635 /nfs/dbraw/zinc/91/06/35/350910635.db2.gz IZYKNVRVCBDMCX-QWRGUYRKSA-N -1 1 281.783 3.378 20 0 CGADMM Cc1nc(S[C@@H]2CCOC(C)(C)C2)[n-]c(=O)c1C1CC1 ZINC000631022929 350926933 /nfs/dbraw/zinc/92/69/33/350926933.db2.gz FETFRTYWUCYUJQ-LLVKDONJSA-N -1 1 294.420 3.418 20 0 CGADMM CC(C)N(C(=O)Cc1ccc([O-])c(Cl)c1)C1CCC1 ZINC000631442185 351041130 /nfs/dbraw/zinc/04/11/30/351041130.db2.gz IKEGVDHMUCHPNB-UHFFFAOYSA-N -1 1 281.783 3.378 20 0 CGADMM CC(C)(C)CCC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632016837 351158385 /nfs/dbraw/zinc/15/83/85/351158385.db2.gz FOBXTEDYILXNHY-UHFFFAOYSA-N -1 1 295.351 3.322 20 0 CGADMM CC[C@H]1CC[C@H](C)N1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632281338 351190487 /nfs/dbraw/zinc/19/04/87/351190487.db2.gz XPIFGYXFQYIPPX-JQWIXIFHSA-N -1 1 281.783 3.378 20 0 CGADMM CC1(C)CN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@@H]1C1CC1 ZINC000633139801 351246802 /nfs/dbraw/zinc/24/68/02/351246802.db2.gz BPGITJXUSHKHRS-OAHLLOKOSA-N -1 1 293.794 3.235 20 0 CGADMM CN(C[C@H]1CC=CCC1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632416017 351197159 /nfs/dbraw/zinc/19/71/59/351197159.db2.gz JTLSLLKBBRXXKL-LBPRGKRZSA-N -1 1 293.794 3.403 20 0 CGADMM CCCc1[n-]n(-c2cccc(OC)c2)c(=O)c1CC ZINC000634586032 351524724 /nfs/dbraw/zinc/52/47/24/351524724.db2.gz ZTCPSVYGOHPYAL-CYBMUJFWSA-N -1 1 260.337 3.224 20 0 CGADMM Cc1[n-]n(-c2ccccc2Br)c(=O)c1C1CC1 ZINC000634587225 351526292 /nfs/dbraw/zinc/52/62/92/351526292.db2.gz IDAFJWFPOVHJHJ-LBPRGKRZSA-N -1 1 293.164 3.198 20 0 CGADMM Cc1ccc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)c(Cl)c1 ZINC000634593812 351529511 /nfs/dbraw/zinc/52/95/11/351529511.db2.gz AOGWQBFNTBXEAP-TVQRCGJNSA-N -1 1 262.740 3.397 20 0 CGADMM CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1CC ZINC000634593479 351530207 /nfs/dbraw/zinc/53/02/07/351530207.db2.gz POYVGWNLSDFHNX-ZDUSSCGKSA-N -1 1 260.337 3.224 20 0 CGADMM CCc1c(=O)n(-c2ccncc2C)[n-]c1-c1cccc(C)c1 ZINC000634606034 351538731 /nfs/dbraw/zinc/53/87/31/351538731.db2.gz FDTDOOMYLYKUDC-HNNXBMFYSA-N -1 1 293.370 3.476 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(Cl)c(F)c3)c(=O)c21 ZINC000634616117 351544567 /nfs/dbraw/zinc/54/45/67/351544567.db2.gz BDHULGLYZAQGBO-MADCSZMMSA-N -1 1 266.703 3.228 20 0 CGADMM C[C@@H](n1[n-]c2c(c1=O)CCCc1ccccc1-2)C(F)(F)F ZINC000634630632 351552733 /nfs/dbraw/zinc/55/27/33/351552733.db2.gz AWWNQMRJVJIIIH-BXKDBHETSA-N -1 1 296.292 3.136 20 0 CGADMM CCCCc1[nH]n(-c2ccc(C(=O)[O-])cc2F)c(=O)c1C ZINC000634619422 351546739 /nfs/dbraw/zinc/54/67/39/351546739.db2.gz YLHTVXOPUOBMFU-SECBINFHSA-N -1 1 292.310 3.053 20 0 CGADMM CCCc1c(C)[n-]n([C@@H]2CCc3c2cccc3F)c1=O ZINC000634632512 351554082 /nfs/dbraw/zinc/55/40/82/351554082.db2.gz SYKKHTWCGIJFCN-IAQYHMDHSA-N -1 1 274.339 3.447 20 0 CGADMM C[C@@H]1CCc2[n-]n([C@@H]3CCc4c3cccc4F)c(=O)c2C1 ZINC000634632559 351554359 /nfs/dbraw/zinc/55/43/59/351554359.db2.gz UVCBMNCTDNBUCF-CKUKBARFSA-N -1 1 286.350 3.447 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC2(CCC2)[C@H]1C1CC1 ZINC000291909153 198102667 /nfs/dbraw/zinc/10/26/67/198102667.db2.gz LWIDDLVACNHZBZ-CQSZACIVSA-N -1 1 291.778 3.450 20 0 CGADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000336405544 213263730 /nfs/dbraw/zinc/26/37/30/213263730.db2.gz XNDSOKAZWMZHNG-GXSJLCMTSA-N -1 1 297.782 3.457 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000336380300 213234625 /nfs/dbraw/zinc/23/46/25/213234625.db2.gz PAZAZSZJCWVYDU-FDMDGMSGSA-N -1 1 294.354 3.105 20 0 CGADMM O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1c(F)ccc([O-])c1F ZINC000412456061 235170657 /nfs/dbraw/zinc/17/06/57/235170657.db2.gz ARTAWYWKOKCOPN-QWRGUYRKSA-N -1 1 295.329 3.227 20 0 CGADMM O=S(=O)(CCC1=CCCCC1)c1ccc([O-])cc1 ZINC000414215019 235365809 /nfs/dbraw/zinc/36/58/09/235365809.db2.gz WSVHYEOUVKZAOI-UHFFFAOYSA-N -1 1 266.362 3.056 20 0 CGADMM CC(C)=CCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451467243 535356857 /nfs/dbraw/zinc/35/68/57/535356857.db2.gz YEVIDTFMWTXWLM-UHFFFAOYSA-N -1 1 297.351 3.207 20 0 CGADMM CS[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000294401755 199026846 /nfs/dbraw/zinc/02/68/46/199026846.db2.gz LKGNSKUUJUQDEF-GFCCVEGCSA-N -1 1 287.384 3.123 20 0 CGADMM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1ccc([O-])cc1F ZINC000425145171 236216960 /nfs/dbraw/zinc/21/69/60/236216960.db2.gz FQJBATLSVFNUKY-NWDGAFQWSA-N -1 1 277.339 3.230 20 0 CGADMM O=C([O-])c1ccc(CNCc2ccc(Cl)cc2F)cc1 ZINC000426686626 236306552 /nfs/dbraw/zinc/30/65/52/236306552.db2.gz NIUQNMDLXUAAGT-UHFFFAOYSA-N -1 1 293.725 3.467 20 0 CGADMM O=C([O-])C[C@H](NCc1cccs1)c1ccc(F)cc1F ZINC000426827415 236317282 /nfs/dbraw/zinc/31/72/82/236317282.db2.gz IJEYNIUYUNFMIA-ZDUSSCGKSA-N -1 1 297.326 3.332 20 0 CGADMM Cc1cc(N[C@H](C(=O)[O-])C(C)C)c2cc(F)ccc2n1 ZINC000263499928 138574278 /nfs/dbraw/zinc/57/42/78/138574278.db2.gz KOAAMSOVRCWCRV-AWEZNQCLSA-N -1 1 276.311 3.203 20 0 CGADMM O=C([N-]c1cc(F)cc(F)c1F)c1snnc1C1CC1 ZINC000294761620 199170680 /nfs/dbraw/zinc/17/06/80/199170680.db2.gz ZZIKUJUWLVUXGE-UHFFFAOYSA-N -1 1 299.277 3.085 20 0 CGADMM CC(C)[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000336182999 213002561 /nfs/dbraw/zinc/00/25/61/213002561.db2.gz QEDKNRHSGSDELT-NSHDSACASA-N -1 1 291.420 3.265 20 0 CGADMM O=C([O-])[C@H]1C=C[C@@H](NCc2c(Cl)cccc2Cl)C1 ZINC000310836015 295988136 /nfs/dbraw/zinc/98/81/36/295988136.db2.gz JVINMMORGGQADW-DTWKUNHWSA-N -1 1 286.158 3.112 20 0 CGADMM Cc1cc(C)c(NC(=O)C(=O)c2ccc([O-])cc2)c(C)c1 ZINC000436675690 237157402 /nfs/dbraw/zinc/15/74/02/237157402.db2.gz WQFASUNKFLZOEJ-UHFFFAOYSA-N -1 1 283.327 3.139 20 0 CGADMM O=C(N[C@@H]1CCCC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000436601929 237140897 /nfs/dbraw/zinc/14/08/97/237140897.db2.gz IPKJASPCQFMLPE-SECBINFHSA-N -1 1 289.709 3.353 20 0 CGADMM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(Cl)cc1[O-] ZINC000436597675 237142424 /nfs/dbraw/zinc/14/24/24/237142424.db2.gz QTNXUPVWYIOXJC-VNQPRFMTSA-N -1 1 299.757 3.114 20 0 CGADMM CS[C@H](CNC(=O)c1c([O-])cccc1F)C(C)(C)C ZINC000436987355 237226272 /nfs/dbraw/zinc/22/62/72/237226272.db2.gz JEFXIONBHJAOIK-LLVKDONJSA-N -1 1 285.384 3.039 20 0 CGADMM Cn1ccc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000436880594 237201001 /nfs/dbraw/zinc/20/10/01/237201001.db2.gz RXLAYQRGPZJRRI-DJWKRKHSSA-N -1 1 285.278 3.090 20 0 CGADMM CN(C(=O)c1ccc([O-])cc1F)[C@@H]1CCC(C)(C)C1 ZINC000436913653 237209426 /nfs/dbraw/zinc/20/94/26/237209426.db2.gz JIXMQWCBMAGCPF-SNVBAGLBSA-N -1 1 265.328 3.182 20 0 CGADMM C[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])[C@H]1C ZINC000177092013 189027847 /nfs/dbraw/zinc/02/78/47/189027847.db2.gz CXGNXQYDZUTQQP-IUCAKERBSA-N -1 1 298.180 3.025 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cccc(O)c3)n2)c(Cl)c1 ZINC000445456157 238706106 /nfs/dbraw/zinc/70/61/06/238706106.db2.gz SINREUDBWXPCIT-UHFFFAOYSA-N -1 1 288.690 3.468 20 0 CGADMM COc1ccc(N(CC2CC2)C(=O)c2ccccc2[O-])cc1 ZINC000456183221 241374800 /nfs/dbraw/zinc/37/48/00/241374800.db2.gz UYCNXSNTPWCREP-UHFFFAOYSA-N -1 1 297.354 3.458 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456278676 241390739 /nfs/dbraw/zinc/39/07/39/241390739.db2.gz LRTKOUUIXVOODM-UKRRQHHQSA-N -1 1 291.778 3.306 20 0 CGADMM CC[N@H+](Cc1cccc(O)c1Br)CC1CC1 ZINC000459352396 242085826 /nfs/dbraw/zinc/08/58/26/242085826.db2.gz QOWHBXWTFBPCQQ-UHFFFAOYSA-N -1 1 284.197 3.387 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCC[C@H](F)C1 ZINC000335515383 212201825 /nfs/dbraw/zinc/20/18/25/212201825.db2.gz RAKQSBJXOYJTRI-YUMQZZPRSA-N -1 1 273.254 3.137 20 0 CGADMM CC(C)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000017172490 368728174 /nfs/dbraw/zinc/72/81/74/368728174.db2.gz UEGBFGQAXSPVBK-UHFFFAOYSA-N -1 1 257.333 3.321 20 0 CGADMM CCS(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000014221170 368679621 /nfs/dbraw/zinc/67/96/21/368679621.db2.gz QFKAPQZIBBFQDP-UHFFFAOYSA-N -1 1 287.690 3.120 20 0 CGADMM COc1ccc(C(=O)Nc2cc(C)ccc2C)c([O-])c1 ZINC000019840453 368772264 /nfs/dbraw/zinc/77/22/64/368772264.db2.gz AESXAGJEBLFUIO-UHFFFAOYSA-N -1 1 271.316 3.270 20 0 CGADMM Cc1c(Cl)c(CN(C)CCC(=O)[O-])nc2ccccc12 ZINC000037932657 369126338 /nfs/dbraw/zinc/12/63/38/369126338.db2.gz UGHDNZRTVVMDEA-UHFFFAOYSA-N -1 1 292.766 3.103 20 0 CGADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000043321968 369249241 /nfs/dbraw/zinc/24/92/41/369249241.db2.gz QMCCCEFEBQTKEW-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM Cc1nc(CN(C)C(=O)c2ccc(Cl)cc2[O-])cs1 ZINC000044609901 369265498 /nfs/dbraw/zinc/26/54/98/369265498.db2.gz QVZWDUFDFWIKOP-UHFFFAOYSA-N -1 1 296.779 3.083 20 0 CGADMM C[C@@H](C1CC1)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000044490740 369262833 /nfs/dbraw/zinc/26/28/33/369262833.db2.gz KJARJBBYMXNSOK-QMMMGPOBSA-N -1 1 298.180 3.025 20 0 CGADMM CCOCCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000055498018 369519332 /nfs/dbraw/zinc/51/93/32/369519332.db2.gz HKKCWSALJPVNOV-UHFFFAOYSA-N -1 1 287.359 3.092 20 0 CGADMM CC(C)c1ccc2nc(-c3ccc(O)cc3)[n-]c(=O)c2c1 ZINC000057771974 369547109 /nfs/dbraw/zinc/54/71/09/369547109.db2.gz RERPCKDJJIWSFH-UHFFFAOYSA-N -1 1 280.327 3.419 20 0 CGADMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000086752422 370022381 /nfs/dbraw/zinc/02/23/81/370022381.db2.gz AJXMZEOBNXANLU-GMXVVIOVSA-N -1 1 265.353 3.088 20 0 CGADMM CC(C)CCN(CCC(C)C)C(=O)c1cncc([O-])c1 ZINC000109042373 370359462 /nfs/dbraw/zinc/35/94/62/370359462.db2.gz DIXIKXWDCNREJN-UHFFFAOYSA-N -1 1 278.396 3.322 20 0 CGADMM CC[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000130805064 371060083 /nfs/dbraw/zinc/06/00/83/371060083.db2.gz VCTWNFGVKVLYEO-SECBINFHSA-N -1 1 298.180 3.027 20 0 CGADMM CCCCN(CCCC)C(=O)C(=O)c1ccc([O-])cc1 ZINC000287373854 371645190 /nfs/dbraw/zinc/64/51/90/371645190.db2.gz RBQKSYMOESXOTK-UHFFFAOYSA-N -1 1 277.364 3.004 20 0 CGADMM COc1cc(C(=O)NCCC2=CCCC2)cc(Cl)c1[O-] ZINC000154022077 371810715 /nfs/dbraw/zinc/81/07/15/371810715.db2.gz YOONTVLPCFANMC-UHFFFAOYSA-N -1 1 295.766 3.284 20 0 CGADMM Cc1c(F)cccc1NC(=O)c1ccc([O-])cc1F ZINC000154955207 371893093 /nfs/dbraw/zinc/89/30/93/371893093.db2.gz SRQVIFLXVKWSKH-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM Cn1nc(NCc2cccc([O-])c2Cl)cc1C1CC1 ZINC000293070170 372292111 /nfs/dbraw/zinc/29/21/11/372292111.db2.gz VJNCWFKDTDWPJS-UHFFFAOYSA-N -1 1 277.755 3.269 20 0 CGADMM CC(C)c1nnc([C@H](C)NCc2cccc([O-])c2Cl)[nH]1 ZINC000293309069 372352586 /nfs/dbraw/zinc/35/25/86/372352586.db2.gz QCJIJMMQBJSNCF-VIFPVBQESA-N -1 1 294.786 3.138 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000433802268 372633501 /nfs/dbraw/zinc/63/35/01/372633501.db2.gz OVYFNVGJSXXBAL-UHFFFAOYSA-N -1 1 275.373 3.358 20 0 CGADMM C[C@@]1(F)CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000295413692 372772057 /nfs/dbraw/zinc/77/20/57/372772057.db2.gz CCMHQHXJMADWPM-CYBMUJFWSA-N -1 1 271.719 3.010 20 0 CGADMM CC(C)=CCC[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000295561743 372826045 /nfs/dbraw/zinc/82/60/45/372826045.db2.gz IHIMPBLJRGTJQJ-LLVKDONJSA-N -1 1 265.328 3.396 20 0 CGADMM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc([O-])c(Cl)c2)O1 ZINC000173379570 373133308 /nfs/dbraw/zinc/13/33/08/373133308.db2.gz FBQLWVRRMPVWFL-MWLCHTKSSA-N -1 1 283.755 3.332 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1C[C@@H]1C1CC1 ZINC000175525781 373481993 /nfs/dbraw/zinc/48/19/93/373481993.db2.gz XBGQYOYOVHVRDX-ZJUUUORDSA-N -1 1 251.713 3.030 20 0 CGADMM C[C@H](NC(=O)c1cncc([O-])c1)c1c(F)cccc1Cl ZINC000175861410 373530097 /nfs/dbraw/zinc/53/00/97/373530097.db2.gz ZVSUDVGGHWQQDX-QMMMGPOBSA-N -1 1 294.713 3.071 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000180704659 296206454 /nfs/dbraw/zinc/20/64/54/296206454.db2.gz USBKCSJSAWCQCK-NXEZZACHSA-N -1 1 299.292 3.283 20 0 CGADMM C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C(=O)[O-])[C@H](C)C1 ZINC000071264832 541895817 /nfs/dbraw/zinc/89/58/17/541895817.db2.gz YEEHXIOCOCLQMB-GHMZBOCLSA-N -1 1 265.328 3.144 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)c2cc[nH]c2)c1 ZINC000182903571 374340872 /nfs/dbraw/zinc/34/08/72/374340872.db2.gz QBGFNDGXNUQCKM-UHFFFAOYSA-N -1 1 295.136 3.044 20 0 CGADMM CC(C)c1[nH]ncc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000334142133 206058972 /nfs/dbraw/zinc/05/89/72/206058972.db2.gz MDTWKNYIGQGJOT-UHFFFAOYSA-N -1 1 297.717 3.284 20 0 CGADMM O=C(N[C@H]1CCC12CCCC2)c1c(F)ccc([O-])c1F ZINC000334147731 374648713 /nfs/dbraw/zinc/64/87/13/374648713.db2.gz 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CO[C@@H](C)c1nc(=N[C@@H]2C[C@H]2C2CCCCC2)s[n-]1 ZINC000509909846 392776402 /nfs/dbraw/zinc/77/64/02/392776402.db2.gz IOXXCCREORGMLO-ZMLRMANQSA-N -1 1 281.425 3.048 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H](C)CC2CCCCC2)s[n-]1 ZINC000509867496 392776924 /nfs/dbraw/zinc/77/69/24/392776924.db2.gz GVSUEWKXCNUEKL-WDEREUQCSA-N -1 1 283.441 3.438 20 0 CGADMM CC(C)N(Cc1ccco1)Cc1ccsc1C(=O)[O-] ZINC000515856405 392862753 /nfs/dbraw/zinc/86/27/53/392862753.db2.gz SVZWJMZQMYFHKM-UHFFFAOYSA-N -1 1 279.361 3.450 20 0 CGADMM CC(C)c1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1 ZINC000491605429 542718185 /nfs/dbraw/zinc/71/81/85/542718185.db2.gz VSYYQPLHNWUDGC-UHFFFAOYSA-N -1 1 265.316 3.109 20 0 CGADMM COc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)c([O-])c1 ZINC000194807299 392938380 /nfs/dbraw/zinc/93/83/80/392938380.db2.gz JMFAJMRHUVAYBF-UHFFFAOYSA-N -1 1 282.299 3.134 20 0 CGADMM Cc1cnc(-c2nc(=O)c3c(C)c(C)sc3[n-]2)s1 ZINC000416410201 393309116 /nfs/dbraw/zinc/30/91/16/393309116.db2.gz DYKUMIJODSWYNC-UHFFFAOYSA-N -1 1 277.374 3.446 20 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20 0 CGADMM C[C@H](Cc1nc(-c2ccc([O-])cc2F)no1)c1cccnc1 ZINC000445465153 393797838 /nfs/dbraw/zinc/79/78/38/393797838.db2.gz XWRHIJWSQWPQJL-SNVBAGLBSA-N -1 1 299.305 3.323 20 0 CGADMM CC(C)N(C(=O)C(=O)c1ccc([O-])cc1)C1CC(C)(C)C1 ZINC000457075497 394316975 /nfs/dbraw/zinc/31/69/75/394316975.db2.gz OYBLVGALGJCEEE-UHFFFAOYSA-N -1 1 289.375 3.001 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2ccncc2)cc1CC ZINC000158005844 397657520 /nfs/dbraw/zinc/65/75/20/397657520.db2.gz GTZZOTZQALUEKU-UHFFFAOYSA-N -1 1 290.388 3.007 20 0 CGADMM CC(C)C1CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000677127979 543434354 /nfs/dbraw/zinc/43/43/54/543434354.db2.gz VMRBUKMJXBIBMA-UHFFFAOYSA-N -1 1 269.344 3.273 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cccc2cccnc21 ZINC000678374728 543519226 /nfs/dbraw/zinc/51/92/26/543519226.db2.gz XNDDFKNETHBQKG-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM Cc1ccc2c(c1)CN(Cc1ccc(C(=O)[O-])cc1)CCO2 ZINC000263387667 292326516 /nfs/dbraw/zinc/32/65/16/292326516.db2.gz DJTOWXHWFQYBLS-UHFFFAOYSA-N -1 1 297.354 3.088 20 0 CGADMM CC(C)[C@@H](C)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000081066875 287070317 /nfs/dbraw/zinc/07/03/17/287070317.db2.gz ZTBZFZXUJNTHLI-VIFPVBQESA-N -1 1 255.745 3.068 20 0 CGADMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084937054 287081609 /nfs/dbraw/zinc/08/16/09/287081609.db2.gz MQJLBSYAUBGCJV-WDEREUQCSA-N -1 1 281.377 3.146 20 0 CGADMM CO[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000070333873 165057668 /nfs/dbraw/zinc/05/76/68/165057668.db2.gz MBYGJTKXWJHCFQ-AWEZNQCLSA-N -1 1 291.734 3.372 20 0 CGADMM Cc1noc([N-]C(=O)c2cc(F)c(Cl)cc2Cl)n1 ZINC000078946429 165138727 /nfs/dbraw/zinc/13/87/27/165138727.db2.gz AQZHXNLVSYFUKW-UHFFFAOYSA-N -1 1 290.081 3.076 20 0 CGADMM O=C(CSCC(F)(F)F)Nc1ccc([O-])c(Cl)c1 ZINC000090370070 165232981 /nfs/dbraw/zinc/23/29/81/165232981.db2.gz VZMWLPPEJRTVMU-UHFFFAOYSA-N -1 1 299.701 3.280 20 0 CGADMM COc1ccc(-c2nc(-c3cccc(C)c3)no2)c([O-])c1 ZINC000111687179 287135985 /nfs/dbraw/zinc/13/59/85/287135985.db2.gz PRRKWEWLPKLUBW-UHFFFAOYSA-N -1 1 282.299 3.426 20 0 CGADMM CC[C@H](NC(=O)c1c([O-])cccc1F)c1cccs1 ZINC000120443869 287182177 /nfs/dbraw/zinc/18/21/77/287182177.db2.gz OEYKCGROHUKBLO-JTQLQIEISA-N -1 1 279.336 3.474 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2F)c(F)c1 ZINC000007428127 170284422 /nfs/dbraw/zinc/28/44/22/170284422.db2.gz QOLQGDXEBBJSDM-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM CCCCN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000035160276 172018749 /nfs/dbraw/zinc/01/87/49/172018749.db2.gz HQISLEJFQOZGGI-UHFFFAOYSA-N -1 1 257.333 3.418 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1C ZINC000128622811 287315169 /nfs/dbraw/zinc/31/51/69/287315169.db2.gz CZSSIPPBSFTOLD-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)n1 ZINC000128749572 287317651 /nfs/dbraw/zinc/31/76/51/287317651.db2.gz DDPLPTQYNCXTPQ-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM CCC(CC)n1ccc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])n1 ZINC000069996962 416489292 /nfs/dbraw/zinc/48/92/92/416489292.db2.gz NRSUACKZVKQYNC-HNNXBMFYSA-N -1 1 293.411 3.073 20 0 CGADMM CCC(CC)n1ccc(CN2CCCC[C@H]2CC(=O)[O-])n1 ZINC000069996962 416489298 /nfs/dbraw/zinc/48/92/98/416489298.db2.gz NRSUACKZVKQYNC-HNNXBMFYSA-N -1 1 293.411 3.073 20 0 CGADMM CCc1ccc(C(=O)CSc2ncc(C)c(=O)[n-]2)cc1 ZINC000312604937 416534534 /nfs/dbraw/zinc/53/45/34/416534534.db2.gz SRCWEUNZNQKDAF-UHFFFAOYSA-N -1 1 288.372 3.028 20 0 CGADMM CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])[C@H](CC)CO1 ZINC000403954684 416550855 /nfs/dbraw/zinc/55/08/55/416550855.db2.gz ZHWWUOPBZPUYES-VXGBXAGGSA-N -1 1 297.782 3.075 20 0 CGADMM C[C@H]1CN(C(=O)c2ccccc2[O-])c2ccccc21 ZINC000130015408 287343325 /nfs/dbraw/zinc/34/33/25/287343325.db2.gz AKIKKRQNTXKQRB-NSHDSACASA-N -1 1 253.301 3.156 20 0 CGADMM CC[C@@H]1C[C@@H](CC(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679812724 543661803 /nfs/dbraw/zinc/66/18/03/543661803.db2.gz PBYKGDNTDOPLDQ-WDEREUQCSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@H]1CCN(C(=O)c2cncc([O-])c2)CC12CCCCC2 ZINC000680941940 543748307 /nfs/dbraw/zinc/74/83/07/543748307.db2.gz RGKZNVGVPQQKOL-ZDUSSCGKSA-N -1 1 288.391 3.220 20 0 CGADMM O=C(NCCCCc1ccccc1)c1ccc([O-])c(F)c1 ZINC000681016162 543756569 /nfs/dbraw/zinc/75/65/69/543756569.db2.gz PWDULMOAEGVXKO-UHFFFAOYSA-N -1 1 287.334 3.284 20 0 CGADMM Cc1nc2ccc(NC(=O)c3ccc([O-])c(F)c3)cc2o1 ZINC000681016802 543757614 /nfs/dbraw/zinc/75/76/14/543757614.db2.gz IACKOJPGWRMYSH-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM CC(C)CCC[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681016741 543757743 /nfs/dbraw/zinc/75/77/43/543757743.db2.gz DWTMVTOFNPEUEO-NSHDSACASA-N -1 1 267.344 3.476 20 0 CGADMM C[C@H](N(C)C(=O)c1ccc([O-])c(F)c1)C(C)(C)C ZINC000681017287 543758038 /nfs/dbraw/zinc/75/80/38/543758038.db2.gz OBVSNVLGWMXRBJ-VIFPVBQESA-N -1 1 253.317 3.038 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)[C@H]1c1ccccc1 ZINC000681049175 543760696 /nfs/dbraw/zinc/76/06/96/543760696.db2.gz CBXCUYOOSAWDER-MEDUHNTESA-N -1 1 285.318 3.365 20 0 CGADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1c([O-])cccc1F ZINC000681059127 543762137 /nfs/dbraw/zinc/76/21/37/543762137.db2.gz JTYFWMGJQKPLOA-RISCZKNCSA-N -1 1 295.354 3.455 20 0 CGADMM Cc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1F ZINC000681064893 543762768 /nfs/dbraw/zinc/76/27/68/543762768.db2.gz YCAYCLYVJMUNEN-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC000681069531 543763380 /nfs/dbraw/zinc/76/33/80/543763380.db2.gz GMBXIDRHYWUEPZ-SNVBAGLBSA-N -1 1 265.328 3.040 20 0 CGADMM Cc1ccc2c(c1)CCN(C(=O)c1ccc([O-])c(F)c1)C2 ZINC000682942646 543880107 /nfs/dbraw/zinc/88/01/07/543880107.db2.gz KSIPHPVAIVHJDS-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2c([O-])cccc2F)C1 ZINC000684469508 544005492 /nfs/dbraw/zinc/00/54/92/544005492.db2.gz BEGIKDCQFIWINN-MNOVXSKESA-N -1 1 281.327 3.065 20 0 CGADMM CCN(C(=O)c1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC000132886422 287412772 /nfs/dbraw/zinc/41/27/72/287412772.db2.gz JTTAVBKUZCUFHB-UHFFFAOYSA-N -1 1 277.270 3.337 20 0 CGADMM CCO[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000652394938 418961160 /nfs/dbraw/zinc/96/11/60/418961160.db2.gz PFWKOHRXTXFEDC-CYBMUJFWSA-N -1 1 297.782 3.039 20 0 CGADMM CCN(C(=O)c1ccc([O-])c(F)c1)[C@H](C)C(C)C ZINC000655090554 419020928 /nfs/dbraw/zinc/02/09/28/419020928.db2.gz IGZAXQAHXKNHPQ-SNVBAGLBSA-N -1 1 253.317 3.038 20 0 CGADMM CCN(Cc1c(Cl)cccc1C(=O)[O-])[C@H]1CCCOC1 ZINC000652506816 418977362 /nfs/dbraw/zinc/97/73/62/418977362.db2.gz KSHIHHNGXRJLJN-NSHDSACASA-N -1 1 297.782 3.039 20 0 CGADMM CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000654505059 418980117 /nfs/dbraw/zinc/98/01/17/418980117.db2.gz IPSRUMLWGZEKIE-NSHDSACASA-N -1 1 279.355 3.430 20 0 CGADMM CC[C@H](CNC(=O)c1ccc([O-])c(F)c1)CC(F)(F)F ZINC000665649557 419144215 /nfs/dbraw/zinc/14/42/15/419144215.db2.gz KHJOZYFUCLHNQB-QMMMGPOBSA-N -1 1 293.260 3.240 20 0 CGADMM CN(C(=O)c1ncc2ccccc2c1[O-])C1CCCCC1 ZINC000665853621 419166418 /nfs/dbraw/zinc/16/64/18/419166418.db2.gz QZCGYGDKXQTQEH-UHFFFAOYSA-N -1 1 284.359 3.345 20 0 CGADMM CCc1ccc(CN[C@@H](C(=O)[O-])[C@H](C)c2ccccc2)o1 ZINC000656569404 419184501 /nfs/dbraw/zinc/18/45/01/419184501.db2.gz PSVSZZACACEYEZ-MLGOLLRUSA-N -1 1 287.359 3.189 20 0 CGADMM CC[C@H](C(=O)[O-])N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656759053 419210532 /nfs/dbraw/zinc/21/05/32/419210532.db2.gz VECIMSVMVOBMOF-LLVKDONJSA-N -1 1 288.174 3.215 20 0 CGADMM CC(C)(C)CN(CC(=O)[O-])Cc1c(F)cccc1Cl ZINC000662229197 419366528 /nfs/dbraw/zinc/36/65/28/419366528.db2.gz RAYKSGVJTQYDNN-UHFFFAOYSA-N -1 1 287.762 3.412 20 0 CGADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC000180468146 260103509 /nfs/dbraw/zinc/10/35/09/260103509.db2.gz FXMAKEDSKORFKH-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Cc1ccc(F)c([N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000186913120 270067416 /nfs/dbraw/zinc/06/74/16/270067416.db2.gz ZUJAZWHHRMCTAK-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000187164782 270068036 /nfs/dbraw/zinc/06/80/36/270068036.db2.gz PCRJQRKHCUJKOX-UHFFFAOYSA-N -1 1 279.336 3.189 20 0 CGADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000229426887 270088365 /nfs/dbraw/zinc/08/83/65/270088365.db2.gz AGIZKODKVBABTO-GMTAPVOTSA-N -1 1 265.328 3.038 20 0 CGADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1ccc([O-])cc1F ZINC000519798007 270097961 /nfs/dbraw/zinc/09/79/61/270097961.db2.gz VXBNTGPLYXFREW-HNNXBMFYSA-N -1 1 289.281 3.088 20 0 CGADMM C[C@@H]1[C@@H](c2nc(-c3ccc([O-])cc3F)no2)[C@H]1C1CC1 ZINC000528166866 270156332 /nfs/dbraw/zinc/15/63/32/270156332.db2.gz HWTOAPXKBBKLEZ-HAGUPOPPSA-N -1 1 274.295 3.341 20 0 CGADMM CC1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CCCC1 ZINC000531247966 270205522 /nfs/dbraw/zinc/20/55/22/270205522.db2.gz CQEBMQOGKWDXIS-UHFFFAOYSA-N -1 1 293.388 3.291 20 0 CGADMM CC1(C)CC(C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000354215079 276100338 /nfs/dbraw/zinc/10/03/38/276100338.db2.gz BCQBMBKBCGGFNC-UHFFFAOYSA-N -1 1 253.729 3.420 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@@H]1C ZINC000177069858 277748154 /nfs/dbraw/zinc/74/81/54/277748154.db2.gz HFFDPQQDFRTKDB-VXGBXAGGSA-N -1 1 269.344 3.416 20 0 CGADMM CC1=C[C@@H](C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000437001399 278504739 /nfs/dbraw/zinc/50/47/39/278504739.db2.gz PCIJXLCXCWIODM-SECBINFHSA-N -1 1 299.292 3.449 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCCC[C@H]1Cc1ccccc1 ZINC000267923645 280231546 /nfs/dbraw/zinc/23/15/46/280231546.db2.gz DBFKCXPYGHSQAI-INIZCTEOSA-N -1 1 296.370 3.025 20 0 CGADMM CC(C)Cc1c[nH]c(C(=O)Nc2cccc(F)c2[O-])c1 ZINC000530004306 288280823 /nfs/dbraw/zinc/28/08/23/288280823.db2.gz JPPSIVPOTPTMMZ-UHFFFAOYSA-N -1 1 276.311 3.310 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1C[C@@]12CCc1ccccc12 ZINC000530004618 288281066 /nfs/dbraw/zinc/28/10/66/288281066.db2.gz FDPDCHFZOOTGIQ-SCLBCKFNSA-N -1 1 297.329 3.374 20 0 CGADMM CC(C)[C@@H](C(=O)Nc1cccc(F)c1[O-])c1cccnc1 ZINC000530005887 288281750 /nfs/dbraw/zinc/28/17/50/288281750.db2.gz NHSXMGOEFCIELW-CQSZACIVSA-N -1 1 288.322 3.305 20 0 CGADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(F)c1[O-] ZINC000530007140 288282565 /nfs/dbraw/zinc/28/25/65/288282565.db2.gz YHGPTSXFRNWKJI-RISCZKNCSA-N -1 1 295.354 3.455 20 0 CGADMM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(F)cc1[O-] ZINC000532012741 288349866 /nfs/dbraw/zinc/34/98/66/288349866.db2.gz FAEJJHAMVLLAKO-JTQLQIEISA-N -1 1 291.297 3.488 20 0 CGADMM Cc1cccc(CC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532012709 288350008 /nfs/dbraw/zinc/35/00/08/288350008.db2.gz UVNSBTJLFBAZNT-UHFFFAOYSA-N -1 1 259.280 3.021 20 0 CGADMM CC[C@H](C)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000540857066 288673417 /nfs/dbraw/zinc/67/34/17/288673417.db2.gz BFISBQWGFPREMS-LURJTMIESA-N -1 1 266.288 3.339 20 0 CGADMM O=C(c1ncccc1[O-])N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000554549641 289290865 /nfs/dbraw/zinc/29/08/65/289290865.db2.gz LAQDSAPMMBTAGQ-INIZCTEOSA-N -1 1 294.354 3.155 20 0 CGADMM COc1cccc2c(C(=O)Nc3ccc(C)cc3C)n[nH]c21 ZINC000554777093 289308770 /nfs/dbraw/zinc/30/87/70/289308770.db2.gz DRJIBUVJURWFAS-UHFFFAOYSA-N -1 1 295.342 3.441 20 0 CGADMM O=c1cc(C(F)(F)F)nc(SCCCCCF)[n-]1 ZINC000556323909 289386395 /nfs/dbraw/zinc/38/63/95/289386395.db2.gz HJWCXJGJIJZSBY-UHFFFAOYSA-N -1 1 284.278 3.433 20 0 CGADMM FC(F)(F)c1nc(=NC2CCC3(CC3)CC2)s[n-]1 ZINC000343210331 303120567 /nfs/dbraw/zinc/12/05/67/303120567.db2.gz YQLCIKMTLXTQEH-UHFFFAOYSA-N -1 1 277.315 3.114 20 0 CGADMM C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CCCC1 ZINC000582103646 327855706 /nfs/dbraw/zinc/85/57/06/327855706.db2.gz QZZGKEOEPCLZRW-NSHDSACASA-N -1 1 293.388 3.290 20 0 CGADMM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000565692121 322086996 /nfs/dbraw/zinc/08/69/96/322086996.db2.gz UNJCPDGUACJGRG-QMTHXVAHSA-N -1 1 279.355 3.476 20 0 CGADMM CCc1nc(SCc2cnc(C)s2)[n-]c(=O)c1C ZINC000566021066 322100985 /nfs/dbraw/zinc/10/09/85/322100985.db2.gz MEWSZGAIKHZUCD-UHFFFAOYSA-N -1 1 281.406 3.110 20 0 CGADMM C[C@@H](c1ccc(F)cc1)N(C)Cc1ccoc1C(=O)[O-] ZINC000566357984 322117734 /nfs/dbraw/zinc/11/77/34/322117734.db2.gz PXCINEOSSHLGKE-JTQLQIEISA-N -1 1 277.295 3.310 20 0 CGADMM Cc1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])cn2)cc1C ZINC000568290675 322203932 /nfs/dbraw/zinc/20/39/32/322203932.db2.gz OQBXNUDGNLWDJW-UHFFFAOYSA-N -1 1 284.359 3.029 20 0 CGADMM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])cn2)cc1C ZINC000568290675 322203934 /nfs/dbraw/zinc/20/39/34/322203934.db2.gz OQBXNUDGNLWDJW-UHFFFAOYSA-N -1 1 284.359 3.029 20 0 CGADMM CC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000192605757 335286291 /nfs/dbraw/zinc/28/62/91/335286291.db2.gz RGZMKWPYLWIZTK-WFASDCNBSA-N -1 1 263.385 3.064 20 0 CGADMM CCc1nc(S[C@@H](C)C(=O)c2ccco2)[n-]c(=O)c1C ZINC000577296728 335336786 /nfs/dbraw/zinc/33/67/86/335336786.db2.gz LRTRFEMGMSCCMI-VIFPVBQESA-N -1 1 292.360 3.010 20 0 CGADMM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000577689376 335389010 /nfs/dbraw/zinc/38/90/10/335389010.db2.gz PZEBEMARFYXUEX-YPMHNXCESA-N -1 1 293.388 3.147 20 0 CGADMM O=S(=O)([N-]CC1=CCCCC1)c1cc2ccccc2o1 ZINC000578955924 335692772 /nfs/dbraw/zinc/69/27/72/335692772.db2.gz PBFMTWNWTFUDAL-UHFFFAOYSA-N -1 1 291.372 3.212 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)[C@@H]1CC2CCC1CC2 ZINC000381548410 336068281 /nfs/dbraw/zinc/06/82/81/336068281.db2.gz UBPYAPBKBMBDIK-QZLRTXKQSA-N -1 1 291.366 3.476 20 0 CGADMM C[C@H](CC(F)F)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000411393883 533750245 /nfs/dbraw/zinc/75/02/45/533750245.db2.gz AZCFFNQESBFDSM-MRVPVSSYSA-N -1 1 295.289 3.012 20 0 CGADMM C[C@H](CCCC(F)(F)F)NC(=O)c1cc(F)ccc1[O-] ZINC000436820660 533837656 /nfs/dbraw/zinc/83/76/56/533837656.db2.gz IFRRGIHUNSXYKE-MRVPVSSYSA-N -1 1 293.260 3.382 20 0 CGADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1F ZINC000426788684 534086222 /nfs/dbraw/zinc/08/62/22/534086222.db2.gz ORLOLROWXKZDEV-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@H](C)CC(C)C)c1 ZINC000436508360 534231030 /nfs/dbraw/zinc/23/10/30/534231030.db2.gz ZGWSUBMTNHXPEW-LLVKDONJSA-N -1 1 293.363 3.190 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccc(C)cc2C)n1 ZINC000413006839 534307360 /nfs/dbraw/zinc/30/73/60/534307360.db2.gz QHWQGEDWNNRISD-UHFFFAOYSA-N -1 1 276.361 3.105 20 0 CGADMM O=C(NCCc1cc2ccccc2o1)c1c([O-])cccc1F ZINC000436950143 534444243 /nfs/dbraw/zinc/44/42/43/534444243.db2.gz NYLTZSUJMFDGGC-UHFFFAOYSA-N -1 1 299.301 3.250 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccc4cc[nH]c4n3)n2)c(F)c1 ZINC000436876908 534449436 /nfs/dbraw/zinc/44/94/36/534449436.db2.gz CFRFTBWAOQQJDQ-UHFFFAOYSA-N -1 1 296.261 3.125 20 0 CGADMM Cc1ccoc1CN[C@H](C(=O)[O-])C1(C)CCCCC1 ZINC000426733369 534449156 /nfs/dbraw/zinc/44/91/56/534449156.db2.gz XSIJEECXRGHHRT-CYBMUJFWSA-N -1 1 265.353 3.101 20 0 CGADMM O=C(NCCc1ccccc1Cl)c1c([O-])cccc1F ZINC000436946951 534478662 /nfs/dbraw/zinc/47/86/62/534478662.db2.gz PYRNVYMGRLHYDQ-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM CCS[C@H]1CCCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000081959331 521730355 /nfs/dbraw/zinc/73/03/55/521730355.db2.gz QLPDTSMZGZGQFE-LBPRGKRZSA-N -1 1 297.395 3.279 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCCC[C@@H]1C(F)F ZINC000436512330 534660167 /nfs/dbraw/zinc/66/01/67/534660167.db2.gz KFFPXGZFBFIWAH-SNVBAGLBSA-N -1 1 289.709 3.305 20 0 CGADMM O=C(N[C@@H]1CCc2c1cccc2F)c1cc(F)ccc1[O-] ZINC000436536212 534776183 /nfs/dbraw/zinc/77/61/83/534776183.db2.gz AHPDHOPSLZEPLU-CQSZACIVSA-N -1 1 289.281 3.088 20 0 CGADMM C=Cc1ccc(CCNC(=O)c2ccc([O-])cc2F)cc1 ZINC000436642047 526273333 /nfs/dbraw/zinc/27/33/33/526273333.db2.gz ZCIVZRQGGNQMJQ-UHFFFAOYSA-N -1 1 285.318 3.147 20 0 CGADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000436921712 526652870 /nfs/dbraw/zinc/65/28/70/526652870.db2.gz KUGDJIZOJILACZ-LLVKDONJSA-N -1 1 279.355 3.430 20 0 CGADMM CCCN(CC1CC1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436748333 528022210 /nfs/dbraw/zinc/02/22/10/528022210.db2.gz FRGCHGLUVBHFRV-UHFFFAOYSA-N -1 1 297.782 3.316 20 0 CGADMM CCCC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C1CCC1 ZINC000436944619 528972436 /nfs/dbraw/zinc/97/24/36/528972436.db2.gz QWFWIOOGJAXHQL-HNNXBMFYSA-N -1 1 289.375 3.050 20 0 CGADMM CC/C=C/COC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000727044350 571706894 /nfs/dbraw/zinc/70/68/94/571706894.db2.gz SOHJGLVVJCVGRG-SNAWJCMRSA-N -1 1 260.293 3.101 20 0 CGADMM CN(CC(C)(C)C)C(=O)c1c([O-])cccc1Cl ZINC000726983778 571697430 /nfs/dbraw/zinc/69/74/30/571697430.db2.gz ASRCJTDUVGPRBU-UHFFFAOYSA-N -1 1 255.745 3.164 20 0 CGADMM Cc1cccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)c1C ZINC000737389482 572339570 /nfs/dbraw/zinc/33/95/70/572339570.db2.gz OZZKIJZIPUBKIM-LBPRGKRZSA-N -1 1 294.362 3.052 20 0 CGADMM Cc1cccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)c1C ZINC000737389482 572339574 /nfs/dbraw/zinc/33/95/74/572339574.db2.gz OZZKIJZIPUBKIM-LBPRGKRZSA-N -1 1 294.362 3.052 20 0 CGADMM CN(CC1CCN(Cc2ccccc2Cl)CC1)C(=O)[O-] ZINC000739665057 572422045 /nfs/dbraw/zinc/42/20/45/572422045.db2.gz JDFDZWYSKILCRD-UHFFFAOYSA-N -1 1 296.798 3.162 20 0 CGADMM Cc1ccc(CCNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000734864813 572689938 /nfs/dbraw/zinc/68/99/38/572689938.db2.gz IHRZXKNEOYQOQM-UHFFFAOYSA-N -1 1 289.762 3.327 20 0 CGADMM O=C(NC(C1CCCC1)C1CCCC1)c1cncc([O-])c1 ZINC000735521988 572729684 /nfs/dbraw/zinc/72/96/84/572729684.db2.gz KBAYZNCSCNXSMJ-UHFFFAOYSA-N -1 1 288.391 3.266 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C\C(C)(C)C)c1 ZINC000745003021 572787513 /nfs/dbraw/zinc/78/75/13/572787513.db2.gz ZLRSQAOPSKGQAS-CLFYSBASSA-N -1 1 290.359 3.283 20 0 CGADMM C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000736839879 572820735 /nfs/dbraw/zinc/82/07/35/572820735.db2.gz HFKZNYAKDXUNKV-ZDUSSCGKSA-N -1 1 297.354 3.340 20 0 CGADMM C[C@H]1c2ccccc2OCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000736839879 572820740 /nfs/dbraw/zinc/82/07/40/572820740.db2.gz HFKZNYAKDXUNKV-ZDUSSCGKSA-N -1 1 297.354 3.340 20 0 CGADMM C[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC000228156180 599844549 /nfs/dbraw/zinc/84/45/49/599844549.db2.gz WRXHRDKLSVQIPQ-SECBINFHSA-N -1 1 279.723 3.482 20 0 CGADMM Cc1ccc(Oc2cccc(-c3nnn[n-]3)n2)c(Cl)c1 ZINC000826293081 607900019 /nfs/dbraw/zinc/90/00/19/607900019.db2.gz ZWLRVWRKAQKEPP-UHFFFAOYSA-N -1 1 287.710 3.016 20 0 CGADMM Cc1ccc(Oc2cccc(-c3nn[n-]n3)n2)c(Cl)c1 ZINC000826293081 607900020 /nfs/dbraw/zinc/90/00/20/607900020.db2.gz ZWLRVWRKAQKEPP-UHFFFAOYSA-N -1 1 287.710 3.016 20 0 CGADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000211388426 600747161 /nfs/dbraw/zinc/74/71/61/600747161.db2.gz WKVSVSQURSGBLW-IAQYHMDHSA-N -1 1 273.307 3.302 20 0 CGADMM CCN(Cc1occc1C(=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000829734932 601007285 /nfs/dbraw/zinc/00/72/85/601007285.db2.gz VJTVVCFETLEKLP-NSHDSACASA-N -1 1 289.331 3.267 20 0 CGADMM C[C@H]1CN(Cc2ccoc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000828462019 601179383 /nfs/dbraw/zinc/17/93/83/601179383.db2.gz FYPOGRSMBXCYLT-SMDDNHRTSA-N -1 1 271.316 3.171 20 0 CGADMM O=C([O-])c1ccc(CN2CC[C@H]2c2cccc(F)c2)cc1 ZINC000833312865 601183370 /nfs/dbraw/zinc/18/33/70/601183370.db2.gz INSKFIVDIWTPER-INIZCTEOSA-N -1 1 285.318 3.471 20 0 CGADMM CC[C@@H](c1ccc(Cl)cc1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000829020926 601444805 /nfs/dbraw/zinc/44/48/05/601444805.db2.gz NGEOWVBKIYRDPN-JSGCOSHPSA-N -1 1 285.746 3.290 20 0 CGADMM Cc1[n-]n(-c2cccc(C(F)(F)F)n2)c(=O)c1C(C)C ZINC000899352575 620649102 /nfs/dbraw/zinc/64/91/02/620649102.db2.gz LPDHVBRPBHQYPK-NSHDSACASA-N -1 1 285.269 3.095 20 0 CGADMM C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000251838501 601505773 /nfs/dbraw/zinc/50/57/73/601505773.db2.gz QFWDYLCJZNFJCG-WCBMZHEXSA-N -1 1 288.174 3.146 20 0 CGADMM CN(CCF)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830781126 602326248 /nfs/dbraw/zinc/32/62/48/602326248.db2.gz JUCPZCVRJNBPKT-JTQLQIEISA-N -1 1 280.126 3.020 20 0 CGADMM CCc1c(=O)n(-c2ccc(F)c(F)c2)[n-]c1C(C)C ZINC000899361467 620665789 /nfs/dbraw/zinc/66/57/89/620665789.db2.gz ZRMPRTMWAGGLHR-JTQLQIEISA-N -1 1 266.291 3.350 20 0 CGADMM Cc1ccc([C@H](C)NCc2ccc(C(=O)[O-])o2)s1 ZINC000071396169 604329581 /nfs/dbraw/zinc/32/95/81/604329581.db2.gz CJDBIQYVBHHGFV-VIFPVBQESA-N -1 1 265.334 3.199 20 0 CGADMM Cc1ccnc(NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000830611065 604348370 /nfs/dbraw/zinc/34/83/70/604348370.db2.gz FIIHDDSNZZWPAQ-UHFFFAOYSA-N -1 1 271.320 3.135 20 0 CGADMM Cc1ccsc1CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000086760039 604464805 /nfs/dbraw/zinc/46/48/05/604464805.db2.gz SAFPHFYRQLWEFO-AWEZNQCLSA-N -1 1 287.384 3.068 20 0 CGADMM CC(C)(C)c1ccc(CN2CC[C@@](F)(C(=O)[O-])C2)s1 ZINC000833449138 604681783 /nfs/dbraw/zinc/68/17/83/604681783.db2.gz NTUFPRGYPYFOLR-AWEZNQCLSA-N -1 1 285.384 3.044 20 0 CGADMM C[C@H](c1c(F)cccc1F)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833828455 605885855 /nfs/dbraw/zinc/88/58/55/605885855.db2.gz DVSOTFCGPPKJFM-GMTAPVOTSA-N -1 1 298.333 3.004 20 0 CGADMM S=c1[n-]nc(Cc2cccs2)n1CN1CCCCC1 ZINC000049516080 617613047 /nfs/dbraw/zinc/61/30/47/617613047.db2.gz UAKJSOWZWPYFAV-UHFFFAOYSA-N -1 1 294.449 3.036 20 0 CGADMM Cc1ccsc1CN[C@@H](C)c1nc(C(=O)[O-])c(C)s1 ZINC000900074987 620756079 /nfs/dbraw/zinc/75/60/79/620756079.db2.gz GZXODOSIJNAQPP-QMMMGPOBSA-N -1 1 296.417 3.370 20 0 CGADMM C[C@H](C(=O)[N-]OCC(F)(F)F)c1ccc(Cl)cc1 ZINC000845831830 618049606 /nfs/dbraw/zinc/04/96/06/618049606.db2.gz TXEAUEOPSHOUTR-ZETCQYMHSA-N -1 1 281.661 3.054 20 0 CGADMM O=C(NCCc1ccccc1F)c1c([O-])cccc1Cl ZINC000049085130 618058182 /nfs/dbraw/zinc/05/81/82/618058182.db2.gz XSLQWHVNCVRGFQ-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM CCC1=NO[C@H](c2nc(=O)c3c(C(C)C)csc3[n-]2)C1 ZINC000084735412 618247764 /nfs/dbraw/zinc/24/77/64/618247764.db2.gz ITCQCGKWZFLJMF-JTQLQIEISA-N -1 1 291.376 3.335 20 0 CGADMM Cc1ccc(F)c(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000188358375 619251044 /nfs/dbraw/zinc/25/10/44/619251044.db2.gz NJAFAXZWYPPJMG-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM CC(C)N(CC1CC1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000896312083 619991352 /nfs/dbraw/zinc/99/13/52/619991352.db2.gz ZZFWFXMXXYOQDX-UHFFFAOYSA-N -1 1 296.798 3.376 20 0 CGADMM CC[C@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896945513 620110106 /nfs/dbraw/zinc/11/01/06/620110106.db2.gz ZDGAUTPHPIOEEW-NSHDSACASA-N -1 1 285.343 3.123 20 0 CGADMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(C(C)C)on1 ZINC000928786823 620219649 /nfs/dbraw/zinc/21/96/49/620219649.db2.gz XAUFWQTXRPNBSN-UHFFFAOYSA-N -1 1 277.324 3.470 20 0 CGADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2F)C1 ZINC000263043477 620287111 /nfs/dbraw/zinc/28/71/11/620287111.db2.gz JJPCRUNFIDFJSH-KOLCDFICSA-N -1 1 285.746 3.022 20 0 CGADMM O=C(C[C@@H]1CCC2(CCC2)O1)Nc1ccc([O-])c(F)c1F ZINC000897930413 620450637 /nfs/dbraw/zinc/45/06/37/620450637.db2.gz ATUUJIXNMAEFBX-VIFPVBQESA-N -1 1 297.301 3.101 20 0 CGADMM COc1ccsc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000901591351 620938614 /nfs/dbraw/zinc/93/86/14/620938614.db2.gz VZYLGEQOXDKDOZ-UHFFFAOYSA-N -1 1 291.372 3.087 20 0 CGADMM CCC[C@H](O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901615487 620954323 /nfs/dbraw/zinc/95/43/23/620954323.db2.gz FEXXFRBXCSYSSX-LBPRGKRZSA-N -1 1 290.388 3.102 20 0 CGADMM CC[C@H](Sc1nc(-c2ccccc2)cc(=O)[n-]1)C(C)=O ZINC000901616131 620954794 /nfs/dbraw/zinc/95/47/94/620954794.db2.gz LCMHKWPMWUWHJF-ZDUSSCGKSA-N -1 1 288.372 3.309 20 0 CGADMM CC[C@H](C)C[C@@H](N[C@H](C)c1cc2cnccc2o1)C(=O)[O-] ZINC000901675655 620964881 /nfs/dbraw/zinc/96/48/81/620964881.db2.gz NNPCMVRNQCDADR-DMDPSCGWSA-N -1 1 290.363 3.368 20 0 CGADMM O=C([O-])c1ccc2c(c1)CCN(Cc1ccsc1)C2 ZINC000901668389 620975985 /nfs/dbraw/zinc/97/59/85/620975985.db2.gz FGDZKVXHYWYKKJ-UHFFFAOYSA-N -1 1 273.357 3.005 20 0 CGADMM CC[C@H](C)C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000901672549 620978363 /nfs/dbraw/zinc/97/83/63/620978363.db2.gz JURXSXASCHQWDD-UNJBNNCHSA-N -1 1 279.380 3.382 20 0 CGADMM CCCCC[C@H](NCc1ccc(SC)o1)C(=O)[O-] ZINC000901727038 621000553 /nfs/dbraw/zinc/00/05/53/621000553.db2.gz QPJAHIIYISRRLR-NSHDSACASA-N -1 1 271.382 3.125 20 0 CGADMM C[C@@H]1CCN(Cc2cc3cc(F)ccc3o2)[C@@H](C(=O)[O-])C1 ZINC000902011849 621099320 /nfs/dbraw/zinc/09/93/20/621099320.db2.gz NFXIKIPMGSNHMI-QMTHXVAHSA-N -1 1 291.322 3.257 20 0 CGADMM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000902019760 621105568 /nfs/dbraw/zinc/10/55/68/621105568.db2.gz SKZRVYUWKYQMQK-BNOWGMLFSA-N -1 1 279.380 3.334 20 0 CGADMM Cc1ccc(CN(C)Cc2ccc(/C=C\C(=O)[O-])o2)s1 ZINC000902220164 621197384 /nfs/dbraw/zinc/19/73/84/621197384.db2.gz ATSXDJWBMYPQCQ-VURMDHGXSA-N -1 1 291.372 3.379 20 0 CGADMM C[C@@H](C[N@@H+](C)Cc1cc(C(=O)[O-])no1)C1CCCCC1 ZINC000902324516 621262431 /nfs/dbraw/zinc/26/24/31/621262431.db2.gz FTPGEZWNFDXUOK-NSHDSACASA-N -1 1 280.368 3.021 20 0 CGADMM O=C([O-])c1occc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000902362201 621290938 /nfs/dbraw/zinc/29/09/38/621290938.db2.gz BDYXGFMLSQWTHO-UHFFFAOYSA-N -1 1 291.734 3.410 20 0 CGADMM COc1ccc(C(=O)[O-])cc1C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000903608069 621771127 /nfs/dbraw/zinc/77/11/27/621771127.db2.gz XCFPXXLZRNKFJS-SNVBAGLBSA-N -1 1 299.317 3.013 20 0 CGADMM COc1ccc(C(=O)[O-])cc1CN1CCC(F)(F)C[C@H]1C ZINC000903608069 621771129 /nfs/dbraw/zinc/77/11/29/621771129.db2.gz XCFPXXLZRNKFJS-SNVBAGLBSA-N -1 1 299.317 3.013 20 0 CGADMM O=C([O-])c1ccoc1CN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000903621132 621776495 /nfs/dbraw/zinc/77/64/95/621776495.db2.gz QCBAKYTWQSNMAM-NHYWBVRUSA-N -1 1 283.327 3.412 20 0 CGADMM CCC[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccccn1 ZINC000903677578 621787373 /nfs/dbraw/zinc/78/73/73/621787373.db2.gz VJTGDGDICUITER-GFCCVEGCSA-N -1 1 290.388 3.472 20 0 CGADMM C[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1Br ZINC000903892271 621823097 /nfs/dbraw/zinc/82/30/97/621823097.db2.gz ZSDYEIAUTJIQNG-VIFPVBQESA-N -1 1 298.180 3.132 20 0 CGADMM C[C@@H]1C[C@@H](C)N(Cc2occ(C(F)(F)F)c2C(=O)[O-])C1 ZINC000903893789 621827849 /nfs/dbraw/zinc/82/78/49/621827849.db2.gz IIDRUXNXWJWMCE-HTQZYQBOSA-N -1 1 291.269 3.227 20 0 CGADMM C[C@@H]1CC[C@@H](C)N1Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903898976 621830182 /nfs/dbraw/zinc/83/01/82/621830182.db2.gz TXSVMDVZLLRDJO-HTQZYQBOSA-N -1 1 291.269 3.369 20 0 CGADMM Cc1cccc(C)c1CN(C)Cc1cncc(C(=O)[O-])c1 ZINC000903946338 621839849 /nfs/dbraw/zinc/83/98/49/621839849.db2.gz FBUODHRJJFBSHY-UHFFFAOYSA-N -1 1 284.359 3.029 20 0 CGADMM CC(C)c1cnc(CN2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)o1 ZINC000903954111 621842258 /nfs/dbraw/zinc/84/22/58/621842258.db2.gz WRGYEOFVVSNDFI-YFCNSXCBSA-N -1 1 294.395 3.118 20 0 CGADMM CCCc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)s1 ZINC000905076691 622037281 /nfs/dbraw/zinc/03/72/81/622037281.db2.gz KNDKRWMUYGHHOV-FPLPWBNLSA-N -1 1 276.361 3.375 20 0 CGADMM COc1cnc(C=Cc2ncc(C(C)(C)C)s2)[n-]c1=O ZINC000905076469 622037646 /nfs/dbraw/zinc/03/76/46/622037646.db2.gz IARKKHQPOJZMNY-AATRIKPKSA-N -1 1 291.376 3.115 20 0 CGADMM Cc1cc(F)ccc1[C@@H](C)NCc1cccc(C(=O)[O-])n1 ZINC000905730407 622101635 /nfs/dbraw/zinc/10/16/35/622101635.db2.gz XJELFEDBGPPUGG-LLVKDONJSA-N -1 1 288.322 3.078 20 0 CGADMM Cc1cc(-c2cc(C(F)(F)F)n[nH]2)c(CC(=O)[O-])s1 ZINC000906241771 622204618 /nfs/dbraw/zinc/20/46/18/622204618.db2.gz VQQOORNIXKBXBS-UHFFFAOYSA-N -1 1 290.266 3.093 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N(CC(F)(F)F)C1CC1 ZINC000908271337 622338877 /nfs/dbraw/zinc/33/88/77/622338877.db2.gz IWXSKGXNINFQSD-UHFFFAOYSA-N -1 1 293.672 3.213 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C(F)=C1CCCC1 ZINC000909985104 622440971 /nfs/dbraw/zinc/44/09/71/622440971.db2.gz WVNXOHOHLLRBLC-UHFFFAOYSA-N -1 1 271.238 3.407 20 0 CGADMM O=C(C[C@H]1C=CCCC1)Nc1cc([O-])c(F)cc1F ZINC000909985542 622442125 /nfs/dbraw/zinc/44/21/25/622442125.db2.gz LHQXHTZERUBURR-VIFPVBQESA-N -1 1 267.275 3.355 20 0 CGADMM O=C(C=C1CCCC1)Nc1cc(F)cc(F)c1[O-] ZINC000910983288 622513411 /nfs/dbraw/zinc/51/34/11/622513411.db2.gz GUFRDUNGEMHOOV-UHFFFAOYSA-N -1 1 253.248 3.109 20 0 CGADMM O=C(CCCC(F)(F)F)Nc1cc(F)cc(F)c1[O-] ZINC000910983865 622513640 /nfs/dbraw/zinc/51/36/40/622513640.db2.gz SSOQPUGQKGPETO-UHFFFAOYSA-N -1 1 283.196 3.342 20 0 CGADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cc(F)cc(F)c1[O-] ZINC000910987018 622513677 /nfs/dbraw/zinc/51/36/77/622513677.db2.gz IWWLATUTLKPYIJ-OYNCUSHFSA-N -1 1 267.275 3.045 20 0 CGADMM C[C@H]1c2ccsc2CCN1C(=O)c1ccc([O-])cc1F ZINC000232385510 623382600 /nfs/dbraw/zinc/38/26/00/623382600.db2.gz VTJPGXAIAQENDX-VIFPVBQESA-N -1 1 291.347 3.352 20 0 CGADMM C[C@@H](C(=O)[N-]OCC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000759322099 623525596 /nfs/dbraw/zinc/52/55/96/623525596.db2.gz HJZILWGHGKTZGX-ZCFIWIBFSA-N -1 1 298.116 3.410 20 0 CGADMM CCc1nc(SC[C@@H]2CC[C@@H](C3CC3)O2)[n-]c(=O)c1C ZINC000917842932 624315314 /nfs/dbraw/zinc/31/53/14/624315314.db2.gz LUBWLNVPOCOIFT-AAEUAGOBSA-N -1 1 294.420 3.103 20 0 CGADMM Cc1cc(Cl)ccc1C=C1SC(=S)[N-]C1=O ZINC000184745200 625267003 /nfs/dbraw/zinc/26/70/03/625267003.db2.gz UHPUOMXIQLSEJH-UITAMQMPSA-N -1 1 269.778 3.137 20 0 CGADMM Cc1cccc(C(=O)Nc2nc(Cl)ccc2[O-])c1F ZINC000194577886 625268848 /nfs/dbraw/zinc/26/88/48/625268848.db2.gz QQJBQZZGSJHDOZ-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM CC(C)c1ccc(C(=O)N2C[C@H](C)Cn3nccc32)c([O-])c1 ZINC000922204821 625983564 /nfs/dbraw/zinc/98/35/64/625983564.db2.gz GBLIBINTLIAAIM-LBPRGKRZSA-N -1 1 299.374 3.009 20 0 CGADMM FC(F)(F)c1ccc(=NOC[C@H]2CCOC2)[n-]c1Cl ZINC000788082388 626094885 /nfs/dbraw/zinc/09/48/85/626094885.db2.gz CVJONYICZLIDCU-ZETCQYMHSA-N -1 1 296.676 3.134 20 0 CGADMM O=C(NC1(C2CCC2)CCC1)c1c([O-])cccc1Cl ZINC000838178650 626199103 /nfs/dbraw/zinc/19/91/03/626199103.db2.gz OODQQJLVJQQYPU-UHFFFAOYSA-N -1 1 279.767 3.498 20 0 CGADMM C[C@H](C(=O)[N-]OCC(F)F)c1ccc2ccccc2c1 ZINC000759339189 626888704 /nfs/dbraw/zinc/88/87/04/626888704.db2.gz OYSUDEFKPWYNLZ-JTQLQIEISA-N -1 1 279.286 3.256 20 0 CGADMM CCC(=CC(=O)OCCc1cc(C(C)=O)ccc1[O-])CC ZINC000759457095 626899901 /nfs/dbraw/zinc/89/99/01/626899901.db2.gz IIJVRQRXMSMBRD-UHFFFAOYSA-N -1 1 290.359 3.427 20 0 CGADMM C[C@@H]1CCC(=CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000762792735 627124271 /nfs/dbraw/zinc/12/42/71/627124271.db2.gz DPWFPNXRZPHZSY-LWMMSDEHSA-N -1 1 297.358 3.467 20 0 CGADMM C[C@@H]1C[C@@H](CC(=O)[N-]OCC(F)(F)F)CC(C)(C)C1 ZINC000766774350 627360039 /nfs/dbraw/zinc/36/00/39/627360039.db2.gz OTCQTUMFMIMDNU-ZJUUUORDSA-N -1 1 281.318 3.449 20 0 CGADMM O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccc([O-])c(F)c1 ZINC000768360974 627475837 /nfs/dbraw/zinc/47/58/37/627475837.db2.gz PEKDMSVQHXIALR-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM C[C@@H]1[C@@H](C)CCCN1C(=O)c1c([O-])cccc1Cl ZINC000769920273 627589533 /nfs/dbraw/zinc/58/95/33/627589533.db2.gz XNNIFFDUDHHGSN-VHSXEESVSA-N -1 1 267.756 3.306 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccc(O)cc2)c([O-])c1 ZINC000770000080 627596956 /nfs/dbraw/zinc/59/69/56/627596956.db2.gz NFUHZOXGRUHSON-UHFFFAOYSA-N -1 1 271.316 3.474 20 0 CGADMM O=C(OCC1CCCCC1)c1ccc([O-])cc1F ZINC000773583931 627898131 /nfs/dbraw/zinc/89/81/31/627898131.db2.gz REUFGJSGNAGKQW-UHFFFAOYSA-N -1 1 252.285 3.268 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2ccc(C3CCC3)cc2)S1 ZINC000874927431 634652342 /nfs/dbraw/zinc/65/23/42/634652342.db2.gz CJQDXXGCDLEJFN-XYOKQWHBSA-N -1 1 259.330 3.278 20 0 CGADMM O=C(C[C@@H](O)c1ccc(Cl)cc1)[N-]OC1CCCCC1 ZINC000779320601 628407565 /nfs/dbraw/zinc/40/75/65/628407565.db2.gz OLZWYLAFYHBCCS-CQSZACIVSA-N -1 1 297.782 3.144 20 0 CGADMM Cc1ccc(F)c(C(=O)Nc2nc(Cl)ccc2[O-])c1F ZINC000790047926 629179669 /nfs/dbraw/zinc/17/96/69/629179669.db2.gz MPJZNPALSLASGD-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM CCn1ccc(CN(C)C(=O)c2c([O-])cccc2Cl)c1 ZINC000790996353 629248017 /nfs/dbraw/zinc/24/80/17/629248017.db2.gz OBDPNIJZQKCYHW-UHFFFAOYSA-N -1 1 292.766 3.139 20 0 CGADMM CCc1nc(SCSC(C)C)[n-]c(=O)c1C ZINC000863345831 629540471 /nfs/dbraw/zinc/54/04/71/629540471.db2.gz NTDSUEZDEHHEQB-UHFFFAOYSA-N -1 1 258.412 3.244 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H]2CCC(C)(C)CO2)n1 ZINC000865364029 630075271 /nfs/dbraw/zinc/07/52/71/630075271.db2.gz ZIDUVIRVZIOLGF-LLVKDONJSA-N -1 1 282.409 3.042 20 0 CGADMM COCCCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000803341031 630465572 /nfs/dbraw/zinc/46/55/72/630465572.db2.gz GEFZZIXZRMTSFE-UHFFFAOYSA-N -1 1 293.146 3.282 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@H]2C[C@H]21 ZINC000804289711 630516086 /nfs/dbraw/zinc/51/60/86/630516086.db2.gz BYVSRKTZCBGXJT-GZMMTYOYSA-N -1 1 285.265 3.036 20 0 CGADMM CCC1(NC(=O)NCc2ccc([O-])c(Cl)c2)CCC1 ZINC000876393930 634826775 /nfs/dbraw/zinc/82/67/75/634826775.db2.gz MVMAESSFVVJPIR-UHFFFAOYSA-N -1 1 282.771 3.178 20 0 CGADMM CC1(CC(=O)Nc2nc(Cl)ccc2[O-])CCCC1 ZINC000809795554 630811884 /nfs/dbraw/zinc/81/18/84/630811884.db2.gz RRLCHJXYZFVUJC-UHFFFAOYSA-N -1 1 268.744 3.350 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])C1(F)CCCCC1 ZINC000811395397 631062415 /nfs/dbraw/zinc/06/24/15/631062415.db2.gz DLDXOZLLQRYBFL-UHFFFAOYSA-N -1 1 272.707 3.052 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCCc2occc2C1 ZINC000811568305 631086757 /nfs/dbraw/zinc/08/67/57/631086757.db2.gz KRGHGUXRHAMQLG-UHFFFAOYSA-N -1 1 291.734 3.227 20 0 CGADMM CCc1ccc([C@H](C)C(=O)[N-]OC/C=C/Cl)cc1 ZINC000812401688 631245907 /nfs/dbraw/zinc/24/59/07/631245907.db2.gz NJUPBKFNQGIFQU-VKJYCEFSSA-N -1 1 267.756 3.153 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc[nH]c1C1CCC1 ZINC000813533059 631433885 /nfs/dbraw/zinc/43/38/85/631433885.db2.gz JPHMNBDTPUBTMO-UHFFFAOYSA-N -1 1 291.738 3.289 20 0 CGADMM Cc1ccoc1CN(C)C(=O)c1c([O-])cccc1Cl ZINC000817026845 632072751 /nfs/dbraw/zinc/07/27/51/632072751.db2.gz WFNGWSLRCKDXQE-UHFFFAOYSA-N -1 1 279.723 3.219 20 0 CGADMM CCCO[N-]C(=O)Cc1sc(C)nc1-c1cccs1 ZINC000844084044 635817172 /nfs/dbraw/zinc/81/71/72/635817172.db2.gz ZKLGGDUYAOQJMA-UHFFFAOYSA-N -1 1 296.417 3.180 20 0 CGADMM O=C(C[C@@H]1CCCC1(F)F)Nc1ccc([O-])c(F)c1F ZINC000821980300 632851387 /nfs/dbraw/zinc/85/13/87/632851387.db2.gz MYLLREQBWQBJAT-ZETCQYMHSA-N -1 1 291.244 3.434 20 0 CGADMM O=C(C[C@H]1CCCC1(F)F)Nc1ccc([O-])c(F)c1F ZINC000821980299 632851604 /nfs/dbraw/zinc/85/16/04/632851604.db2.gz MYLLREQBWQBJAT-SSDOTTSWSA-N -1 1 291.244 3.434 20 0 CGADMM CC(C)[C@H]1C[C@H](C(=O)Nc2ccc([O-])c(F)c2F)CCO1 ZINC000821980289 632851704 /nfs/dbraw/zinc/85/17/04/632851704.db2.gz MRVWFXXEGSVDNA-BXKDBHETSA-N -1 1 299.317 3.060 20 0 CGADMM CC[C@H](CC(=O)[N-]OCC(F)(F)F)C(C)(C)C ZINC000866733189 633237482 /nfs/dbraw/zinc/23/74/82/633237482.db2.gz FTSXWODBUIGRTR-MRVPVSSYSA-N -1 1 255.280 3.059 20 0 CGADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000828851555 633660922 /nfs/dbraw/zinc/66/09/22/633660922.db2.gz YWKPMZGXPDHMEM-OJAKKHQRSA-N -1 1 293.794 3.344 20 0 CGADMM CC1(C)CCc2c([n-]n(Cc3ccc(F)cc3F)c2=O)C1 ZINC000871949901 633923939 /nfs/dbraw/zinc/92/39/39/633923939.db2.gz PVQHEFHKSVTJMF-LBPRGKRZSA-N -1 1 292.329 3.489 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3cc(Cl)ccc3F)c(=O)c21 ZINC000871963268 633930701 /nfs/dbraw/zinc/93/07/01/633930701.db2.gz MTZFZZAPRZAHNW-JMCQJSRRSA-N -1 1 266.703 3.228 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1CC12CCCC2 ZINC000872985739 634227757 /nfs/dbraw/zinc/22/77/57/634227757.db2.gz DWSPDFPZKZDRQG-CYBMUJFWSA-N -1 1 294.782 3.178 20 0 CGADMM CCC1=C(C(=O)NCc2ccc([O-])c(Cl)c2)CCCO1 ZINC000834826019 634249411 /nfs/dbraw/zinc/24/94/11/634249411.db2.gz PTXBWCCZUJSDRM-UHFFFAOYSA-N -1 1 295.766 3.136 20 0 CGADMM CCO[C@H](CC(=O)NCc1ccc([O-])c(Cl)c1)C(C)C ZINC000834829129 634250930 /nfs/dbraw/zinc/25/09/30/634250930.db2.gz LJBVZJFYWQPTAQ-CQSZACIVSA-N -1 1 299.798 3.113 20 0 CGADMM C[C@H]1[C@@H](C)N(C(=O)c2c([O-])cccc2Cl)C[C@H]1C ZINC000841459738 635178802 /nfs/dbraw/zinc/17/88/02/635178802.db2.gz FMWSQIKUGLZHCI-OPRDCNLKSA-N -1 1 267.756 3.162 20 0 CGADMM CC1(C)CC[C@H](CC(=O)Nc2c([O-])cccc2F)OC1 ZINC000878867660 635646140 /nfs/dbraw/zinc/64/61/40/635646140.db2.gz VSWOUPQJBCYOSP-SNVBAGLBSA-N -1 1 281.327 3.065 20 0 CGADMM O=C([N-]CCF)C(F)(F)c1cccc(Cl)c1Cl ZINC000843588626 635714620 /nfs/dbraw/zinc/71/46/20/635714620.db2.gz ISYLNDPNMLEDNP-UHFFFAOYSA-N -1 1 286.080 3.171 20 0 CGADMM CCc1nc(SC/C(Cl)=C\Cl)[n-]c(=O)c1C ZINC000849922179 636909025 /nfs/dbraw/zinc/90/90/25/636909025.db2.gz ZVBRBJCWWVKRQL-QPJJXVBHSA-N -1 1 279.192 3.464 20 0 CGADMM CCc1nc(SCCSC(C)C)[n-]c(=O)c1C ZINC000849921252 636909121 /nfs/dbraw/zinc/90/91/21/636909121.db2.gz IXGOMTBMHFSBMY-UHFFFAOYSA-N -1 1 272.439 3.287 20 0 CGADMM Cc1cc(NC(=O)c2cc(F)ccc2[O-])cnc1Cl ZINC000220125856 637619448 /nfs/dbraw/zinc/61/94/48/637619448.db2.gz LGMMFBGVYPGKFF-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM CC(C)[C@@H]1CCc2[n-]n(C3CCSCC3)c(=O)c2C1 ZINC000887292830 637790324 /nfs/dbraw/zinc/79/03/24/637790324.db2.gz HRLIUGUGLPHIFP-YPMHNXCESA-N -1 1 280.437 3.153 20 0 CGADMM CCC/C=C\C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674145 638023890 /nfs/dbraw/zinc/02/38/90/638023890.db2.gz IPMQOYYBLGXBIP-PLNGDYQASA-N -1 1 257.692 3.480 20 0 CGADMM CC(C)[C@@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676952 638038770 /nfs/dbraw/zinc/03/87/70/638038770.db2.gz XSFRKZZLKXQIEC-SSDOTTSWSA-N -1 1 259.708 3.415 20 0 CGADMM C[C@@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCCCO1 ZINC000885678791 638049109 /nfs/dbraw/zinc/04/91/09/638049109.db2.gz VZMLGKKPMCIARM-ZDUSSCGKSA-N -1 1 287.718 3.082 20 0 CGADMM O=C([N-]Oc1ccccc1)C1CC(OCc2ccccc2)C1 ZINC000854537030 638068593 /nfs/dbraw/zinc/06/85/93/638068593.db2.gz NSCMSLKBVSJTMB-UHFFFAOYSA-N -1 1 297.354 3.092 20 0 CGADMM CC(C)[C@@H](NC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000856123082 638302845 /nfs/dbraw/zinc/30/28/45/638302845.db2.gz LEJQIGMROVICDL-CYBMUJFWSA-N -1 1 267.756 3.210 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(C)CC=CC2)c1 ZINC000924200446 638313588 /nfs/dbraw/zinc/31/35/88/638313588.db2.gz DTODWPGJXDNAMN-UHFFFAOYSA-N -1 1 288.343 3.037 20 0 CGADMM O=c1nc(NCCC2=CCCCC2)cc(Cl)[n-]1 ZINC000858310622 638677958 /nfs/dbraw/zinc/67/79/58/638677958.db2.gz PHUBCYUOJQHUDI-UHFFFAOYSA-N -1 1 253.733 3.138 20 0 CGADMM CC1(c2ccccc2)CC(Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858401397 638704015 /nfs/dbraw/zinc/70/40/15/638704015.db2.gz PZPRHGAXOREDDI-UHFFFAOYSA-N -1 1 289.766 3.368 20 0 CGADMM C[C@H]1CCC[C@H](CCNc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858413761 638707810 /nfs/dbraw/zinc/70/78/10/638707810.db2.gz VYAPVUHPMAAMRF-VHSXEESVSA-N -1 1 269.776 3.464 20 0 CGADMM O=c1nc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc(Cl)[n-]1 ZINC000858426845 638714277 /nfs/dbraw/zinc/71/42/77/638714277.db2.gz UOXJUEGDXJVXFM-IVZWLZJFSA-N -1 1 267.760 3.216 20 0 CGADMM CC(C)(CCNc1cc(Cl)[n-]c(=O)n1)C1CC1 ZINC000858555418 638761137 /nfs/dbraw/zinc/76/11/37/638761137.db2.gz DBHNSZMJMHNTNA-UHFFFAOYSA-N -1 1 255.749 3.074 20 0 CGADMM O=c1nc(NC[C@@H]2CCCCC2(F)F)cc(Cl)[n-]1 ZINC000858557186 638761275 /nfs/dbraw/zinc/76/12/75/638761275.db2.gz JUYPHLVNQLWLGA-ZETCQYMHSA-N -1 1 277.702 3.073 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@]12C[C@H]1CCCC2 ZINC000927463495 638861363 /nfs/dbraw/zinc/86/13/63/638861363.db2.gz PLWCEOUEOCAXEP-WBMJQRKESA-N -1 1 293.794 3.285 20 0 CGADMM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000928383613 638879297 /nfs/dbraw/zinc/87/92/97/638879297.db2.gz IQLOZTSHXIVCLM-ZFWWWQNUSA-N -1 1 296.370 3.196 20 0 CGADMM O=C([N-]CCc1c[nH]c2c1cccc2Cl)C(F)(F)F ZINC000859432854 639140169 /nfs/dbraw/zinc/14/01/69/639140169.db2.gz BHNBRUWNWGVILH-UHFFFAOYSA-N -1 1 290.672 3.042 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@]12CCO[C@@H]1CCCC2 ZINC000935020637 639732975 /nfs/dbraw/zinc/73/29/75/639732975.db2.gz GVOZXPMODBDCHF-UKRRQHHQSA-N -1 1 295.766 3.333 20 0 CGADMM Cc1ccc2ccc(C(=O)N[C@H](C)C(C)C)c([O-])c2n1 ZINC001155652260 805600359 /nfs/dbraw/zinc/60/03/59/805600359.db2.gz OYEVMKJYHVTPNF-LLVKDONJSA-N -1 1 272.348 3.023 20 0 CGADMM Cc1cccc(Cc2cc([O-])c(F)c(F)c2F)n1 ZINC001250425817 805608113 /nfs/dbraw/zinc/60/81/13/805608113.db2.gz UMZXILCQEWCIFM-UHFFFAOYSA-N -1 1 253.223 3.104 20 0 CGADMM COc1ccc(-c2cc(F)c([O-])cc2F)cc1F ZINC001250621001 805731235 /nfs/dbraw/zinc/73/12/35/805731235.db2.gz PZHWYQZBYVSKPV-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CN(C)c1ccc2nc(-c3cc(C(=O)[O-])ccc3F)[nH]c2c1 ZINC001251014752 805829162 /nfs/dbraw/zinc/82/91/62/805829162.db2.gz JIBNZQOSULEKEF-UHFFFAOYSA-N -1 1 299.305 3.133 20 0 CGADMM [O-]c1cc(-c2nc3cc4c(cc3[nH]2)OCO4)ccc1Cl ZINC001251036379 805834984 /nfs/dbraw/zinc/83/49/84/805834984.db2.gz AZVYPXXERAJHLW-UHFFFAOYSA-N -1 1 288.690 3.318 20 0 CGADMM Cc1cc(F)cc2nc(-c3cc(Cl)ncc3[O-])[nH]c21 ZINC001251251431 805872820 /nfs/dbraw/zinc/87/28/20/805872820.db2.gz FBBHMLFGAUOJGO-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM Cc1cc(F)cc2[nH]c(-c3cc(Cl)ncc3[O-])nc21 ZINC001251251431 805872837 /nfs/dbraw/zinc/87/28/37/805872837.db2.gz FBBHMLFGAUOJGO-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM Cc1ccc2nc(-c3ccc(F)cc3C(=O)[O-])[nH]c2c1 ZINC001251724774 805924880 /nfs/dbraw/zinc/92/48/80/805924880.db2.gz NTOIOLBBYYIHJU-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM O=C(CCOc1ccccc1)Nc1cc([O-])c(F)cc1F ZINC001160910258 806318939 /nfs/dbraw/zinc/31/89/39/806318939.db2.gz ZOXPTCBGOYGIFI-UHFFFAOYSA-N -1 1 293.269 3.078 20 0 CGADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC001161047280 806341787 /nfs/dbraw/zinc/34/17/87/806341787.db2.gz ZAXKPCIOILDVIY-SUMWQHHRSA-N -1 1 285.318 3.448 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C)cc(O)c2)cc1 ZINC001255081401 806537008 /nfs/dbraw/zinc/53/70/08/806537008.db2.gz ZSCPQDKILSHDGB-UHFFFAOYSA-N -1 1 291.372 3.064 20 0 CGADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001162292648 806549220 /nfs/dbraw/zinc/54/92/20/806549220.db2.gz VLRZOFIPVJFCES-ZANVPECISA-N -1 1 299.317 3.204 20 0 CGADMM CCCCCNC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000169061210 799087256 /nfs/dbraw/zinc/08/72/56/799087256.db2.gz FQMHNNBCXPXTCT-UHFFFAOYSA-N -1 1 256.733 3.357 20 0 CGADMM Cc1cc([C@@H](C)NCc2cccc(C(=O)[O-])n2)c(C)s1 ZINC000235216582 799144506 /nfs/dbraw/zinc/14/45/06/799144506.db2.gz VYDKSCSZHPCJQV-SNVBAGLBSA-N -1 1 290.388 3.309 20 0 CGADMM CC(C)(CNC(=O)c1cc(F)ccc1[O-])C1=CCCC1 ZINC000312269482 799227328 /nfs/dbraw/zinc/22/73/28/799227328.db2.gz ZXBOYVWLSMNQNE-UHFFFAOYSA-N -1 1 277.339 3.398 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2ccc3ccccc3n2)no1 ZINC000387452266 799447098 /nfs/dbraw/zinc/44/70/98/799447098.db2.gz AEOFUJCTHDUJKS-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1cc(Cl)cs1)CC2 ZINC000405420700 799585282 /nfs/dbraw/zinc/58/52/82/799585282.db2.gz SFBHENCYGZRYKH-NSHDSACASA-N -1 1 285.796 3.088 20 0 CGADMM CSCC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000719312823 800235590 /nfs/dbraw/zinc/23/55/90/800235590.db2.gz JHPFQFVMNBYCHC-UHFFFAOYSA-N -1 1 299.823 3.261 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ncc(Cl)s1 ZINC001256303314 806857824 /nfs/dbraw/zinc/85/78/24/806857824.db2.gz ZVZQOAOGHKDLLM-UHFFFAOYSA-N -1 1 289.143 3.408 20 0 CGADMM O=C(C=C1CCC1)Nc1ccc(Br)c([O-])c1 ZINC001116902700 802427661 /nfs/dbraw/zinc/42/76/61/802427661.db2.gz REKKOFHCLJJYQX-UHFFFAOYSA-N -1 1 282.137 3.204 20 0 CGADMM CCc1ccc2c(c1)CCN2C(=O)c1c([O-])cccc1OC ZINC001180439891 810002096 /nfs/dbraw/zinc/00/20/96/810002096.db2.gz MUMDCXQFUFFORX-UHFFFAOYSA-N -1 1 297.354 3.166 20 0 CGADMM Cc1cccnc1[C@@H](NC(=O)c1cncc([O-])c1)C(C)(C)C ZINC001119994297 802722418 /nfs/dbraw/zinc/72/24/18/802722418.db2.gz CVVPQDZNIBZYOB-OAHLLOKOSA-N -1 1 299.374 3.008 20 0 CGADMM CC[C@@H](F)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC001120716800 802766868 /nfs/dbraw/zinc/76/68/68/802766868.db2.gz MLZMGKSMALHTQS-MRVPVSSYSA-N -1 1 290.132 3.150 20 0 CGADMM CCOC(=O)Cc1ccnc(-c2c([O-])cccc2Cl)c1 ZINC001244033831 803153277 /nfs/dbraw/zinc/15/32/77/803153277.db2.gz SIQPMKWJXRFTSC-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM O=C1OCc2cc(-c3cc(F)c([O-])c(F)c3)ccc21 ZINC001244096001 803184025 /nfs/dbraw/zinc/18/40/25/803184025.db2.gz GWTZSTAJOWBZSJ-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM CCOc1ncc(-c2cc(F)c([O-])c(F)c2)cc1C ZINC001244095955 803184064 /nfs/dbraw/zinc/18/40/64/803184064.db2.gz FFAMREVUTSIDOA-UHFFFAOYSA-N -1 1 265.259 3.440 20 0 CGADMM CCOC(=O)c1cc(-c2cc(F)c([O-])c(F)c2)cnc1C ZINC001244097658 803185206 /nfs/dbraw/zinc/18/52/06/803185206.db2.gz RXXTYGGJHVGNFK-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COc1cc2[nH]cnc2cc1-c1ccc(CCC(=O)[O-])cc1 ZINC001244191183 803235169 /nfs/dbraw/zinc/23/51/69/803235169.db2.gz NODYUWLPJZFKFW-UHFFFAOYSA-N -1 1 296.326 3.256 20 0 CGADMM O=C([O-])CCc1ccc(-c2cccn3cncc23)cc1 ZINC001244191620 803236582 /nfs/dbraw/zinc/23/65/82/803236582.db2.gz SDFQOYOZSVAIDU-UHFFFAOYSA-N -1 1 266.300 3.019 20 0 CGADMM Cc1cc(C2CC2)ccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001244278593 803275257 /nfs/dbraw/zinc/27/52/57/803275257.db2.gz HXXHAFYYCSBQJZ-UHFFFAOYSA-N -1 1 288.283 3.342 20 0 CGADMM Cc1cc(C2CC2)ccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001244278593 803275260 /nfs/dbraw/zinc/27/52/60/803275260.db2.gz HXXHAFYYCSBQJZ-UHFFFAOYSA-N -1 1 288.283 3.342 20 0 CGADMM COc1nc(-c2cc(C)ccc2[O-])nc2ccsc21 ZINC001244403477 803351856 /nfs/dbraw/zinc/35/18/56/803351856.db2.gz YIMJZQSTQSWAAR-UHFFFAOYSA-N -1 1 272.329 3.381 20 0 CGADMM Cc1ncc(F)c(-c2cc(OC(F)(F)F)ccc2[O-])n1 ZINC001244457322 803379400 /nfs/dbraw/zinc/37/94/00/803379400.db2.gz ZKRDSMNVJAQJJM-UHFFFAOYSA-N -1 1 288.200 3.195 20 0 CGADMM Cc1nccc(-c2ccc(OC(F)(F)F)cc2[O-])n1 ZINC001244464074 803381167 /nfs/dbraw/zinc/38/11/67/803381167.db2.gz ONVOULZKGQZKCP-UHFFFAOYSA-N -1 1 270.210 3.056 20 0 CGADMM [O-]c1c(F)cc(-c2cc3[nH]nnc3cc2F)cc1Cl ZINC001244502398 803409082 /nfs/dbraw/zinc/40/90/82/803409082.db2.gz MNKDNSHXEPJMOE-UHFFFAOYSA-N -1 1 281.649 3.262 20 0 CGADMM Cc1cc(-c2ncc(F)c(C)n2)cc(Cl)c1[O-] ZINC001244531434 803422611 /nfs/dbraw/zinc/42/26/11/803422611.db2.gz KASDKBKNGHADHC-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM Cc1cc(-c2ccc3c(n2)CCOC3)cc(Cl)c1[O-] ZINC001244537037 803424264 /nfs/dbraw/zinc/42/42/64/803424264.db2.gz SOYCYODRFBDNOU-UHFFFAOYSA-N -1 1 275.735 3.489 20 0 CGADMM CC(=O)Nc1cccc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244537415 803425053 /nfs/dbraw/zinc/42/50/53/803425053.db2.gz DUYHWTUHFAVAOD-UHFFFAOYSA-N -1 1 280.686 3.205 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cncc(N3CCCC3)n2)c1F ZINC001244537575 803425108 /nfs/dbraw/zinc/42/51/08/803425108.db2.gz BAMQOACVBBERPV-UHFFFAOYSA-N -1 1 293.729 3.242 20 0 CGADMM CCN(C)c1nc(-c2c(Cl)ccc([O-])c2F)ncc1C ZINC001244539114 803426331 /nfs/dbraw/zinc/42/63/31/803426331.db2.gz XGDGRLBZWAEZNV-UHFFFAOYSA-N -1 1 295.745 3.406 20 0 CGADMM COC(=O)c1ccc(F)c(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244539413 803426590 /nfs/dbraw/zinc/42/65/90/803426590.db2.gz UUERNDOAYATISG-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM Cc1nc2c(-c3cc(C)c([O-])c(Cl)c3)cccn2n1 ZINC001244538859 803426633 /nfs/dbraw/zinc/42/66/33/803426633.db2.gz YOKJTMOGGINPQG-UHFFFAOYSA-N -1 1 273.723 3.372 20 0 CGADMM CCn1cnc2c1ncnc2-c1c(Cl)ccc([O-])c1F ZINC001244540424 803428321 /nfs/dbraw/zinc/42/83/21/803428321.db2.gz OLMHZZJPXNLHHG-UHFFFAOYSA-N -1 1 292.701 3.011 20 0 CGADMM NC(=O)Nc1ccc(-c2c(Cl)ccc([O-])c2F)cc1 ZINC001244540194 803428559 /nfs/dbraw/zinc/42/85/59/803428559.db2.gz SJOGGAVCZVGKPI-UHFFFAOYSA-N -1 1 280.686 3.342 20 0 CGADMM COCOc1cncc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244541326 803429128 /nfs/dbraw/zinc/42/91/28/803429128.db2.gz ATBYQXNKZVULNU-UHFFFAOYSA-N -1 1 283.686 3.229 20 0 CGADMM O=C([O-])c1cc(-c2ccc3[nH]nnc3c2)c(F)cc1Cl ZINC001244611731 803464315 /nfs/dbraw/zinc/46/43/15/803464315.db2.gz CSJHKNQSTNPKTN-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM O=C([O-])c1cc(-c2ccc3nn[nH]c3c2)c(F)cc1Cl ZINC001244611731 803464318 /nfs/dbraw/zinc/46/43/18/803464318.db2.gz CSJHKNQSTNPKTN-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM O=C1Cc2cc(-c3ccc(F)c4ccoc43)ccc2C(=O)[N-]1 ZINC001244931257 803581654 /nfs/dbraw/zinc/58/16/54/803581654.db2.gz BEVYOAJGNKFZFH-UHFFFAOYSA-N -1 1 295.269 3.051 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cccc(O)c3C)ccc2[n-]1 ZINC001244958887 803592564 /nfs/dbraw/zinc/59/25/64/803592564.db2.gz LFCLDPIVJPWGSR-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cccc(O)c3C)cc2[n-]1 ZINC001244958887 803592566 /nfs/dbraw/zinc/59/25/66/803592566.db2.gz LFCLDPIVJPWGSR-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM O=C(NC[C@@H]1CCCc2ccccc21)c1cccc([O-])c1F ZINC001136167193 803634296 /nfs/dbraw/zinc/63/42/96/803634296.db2.gz KOXGIJRCXZGBLI-ZDUSSCGKSA-N -1 1 299.345 3.381 20 0 CGADMM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc([O-])cn1 ZINC001136181955 803635024 /nfs/dbraw/zinc/63/50/24/803635024.db2.gz DZEUZHQEOHKPDD-QWHCGFSZSA-N -1 1 276.380 3.122 20 0 CGADMM O=C(Nc1cccc(-c2cnco2)c1)c1cccc([O-])c1F ZINC001136321908 803640127 /nfs/dbraw/zinc/64/01/27/803640127.db2.gz UOWIJQXVSOVOJU-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCCc2sccc2C1 ZINC001136687195 803650434 /nfs/dbraw/zinc/65/04/34/803650434.db2.gz GPDGECXMCVDNRV-UHFFFAOYSA-N -1 1 291.347 3.181 20 0 CGADMM CSc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC001138015155 803824925 /nfs/dbraw/zinc/82/49/25/803824925.db2.gz SKDHAMOPAGWIHV-UHFFFAOYSA-N -1 1 294.763 3.415 20 0 CGADMM COC(=O)c1c(C)ccnc1-c1c(F)ccc([O-])c1Cl ZINC001245828659 803982898 /nfs/dbraw/zinc/98/28/98/803982898.db2.gz XIBXHULOYGVRRA-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COc1cccnc1-c1c(F)ccc([O-])c1Cl ZINC001245828549 803983223 /nfs/dbraw/zinc/98/32/23/803983223.db2.gz VATPZEQLZVUALH-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM CN(C)c1ncccc1-c1c(F)ccc([O-])c1Cl ZINC001245831044 803987115 /nfs/dbraw/zinc/98/71/15/803987115.db2.gz AMUAYLUDUQUOGR-UHFFFAOYSA-N -1 1 266.703 3.313 20 0 CGADMM NC(=O)CCc1cccc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245832447 803987393 /nfs/dbraw/zinc/98/73/93/803987393.db2.gz WLOOJAMEHJXDRZ-UHFFFAOYSA-N -1 1 293.725 3.270 20 0 CGADMM O=c1cnc(-c2c(F)ccc([O-])c2Cl)cn1C1CCC1 ZINC001245835055 803987875 /nfs/dbraw/zinc/98/78/75/803987875.db2.gz NGAIDQUJCXBCSP-UHFFFAOYSA-N -1 1 294.713 3.133 20 0 CGADMM CNc1cc(-c2c(F)ccc([O-])c2Cl)ccn1 ZINC001245835622 803988445 /nfs/dbraw/zinc/98/84/45/803988445.db2.gz UYCQPCBBQQWNHW-UHFFFAOYSA-N -1 1 252.676 3.288 20 0 CGADMM O=C1COc2cc(-c3c(F)ccc([O-])c3Cl)ccc2N1 ZINC001245832622 803988691 /nfs/dbraw/zinc/98/86/91/803988691.db2.gz QYBIUAIHQKIRDQ-UHFFFAOYSA-N -1 1 293.681 3.183 20 0 CGADMM CCc1cc(=O)n(-c2cc(Br)ccc2C)[n-]1 ZINC001245918481 804046415 /nfs/dbraw/zinc/04/64/15/804046415.db2.gz XTZDUVOATFKHOY-UHFFFAOYSA-N -1 1 281.153 3.211 20 0 CGADMM CN(C)c1ccc(-c2cc(=O)n(C3CCC3)[n-]2)cc1 ZINC001245944247 804075908 /nfs/dbraw/zinc/07/59/08/804075908.db2.gz LZINASHHJRJMNZ-UHFFFAOYSA-N -1 1 257.337 3.047 20 0 CGADMM Nc1cc(Nc2c([O-])cc(F)cc2F)ccc1F ZINC001212338990 815007284 /nfs/dbraw/zinc/00/72/84/815007284.db2.gz BNVAGGSZDWPJQS-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM CCC(C)(C)c1ccc(NC(=O)C2=C([O-])C(C)N=N2)cc1 ZINC001139994136 804345905 /nfs/dbraw/zinc/34/59/05/804345905.db2.gz CDBVNFZUNLDOAD-UHFFFAOYSA-N -1 1 287.363 3.364 20 0 CGADMM [O-]c1ccc(CN2CCC(C(F)F)CC2)c(F)c1F ZINC001140893312 804544296 /nfs/dbraw/zinc/54/42/96/804544296.db2.gz NQVYMJVPFLVKNE-UHFFFAOYSA-N -1 1 277.261 3.148 20 0 CGADMM C[C@H]1c2cccn2CCN1Cc1ccc([O-])c(F)c1F ZINC001140893190 804546185 /nfs/dbraw/zinc/54/61/85/804546185.db2.gz KEWVKQLLDWUFRO-JTQLQIEISA-N -1 1 278.302 3.049 20 0 CGADMM [O-]c1c(F)cc(CN2CCCC(F)(F)[C@@H](F)C2)cc1F ZINC001140987718 804561241 /nfs/dbraw/zinc/56/12/41/804561241.db2.gz AQTHJUTZXPUAKF-NSHDSACASA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1c(F)cc(CN2CC[C@H](CF)C(F)(F)C2)cc1F ZINC001140988378 804562976 /nfs/dbraw/zinc/56/29/76/804562976.db2.gz YLBLPYPCTXOCPH-SECBINFHSA-N -1 1 295.251 3.097 20 0 CGADMM [O-]c1c(F)cc(CN2CCc3ccsc3C2)cc1F ZINC001140990865 804563817 /nfs/dbraw/zinc/56/38/17/804563817.db2.gz AUTTWFJMIRDBDG-UHFFFAOYSA-N -1 1 281.327 3.290 20 0 CGADMM O=C(Nc1cc(C2CC2)ccn1)c1cccc([O-])c1F ZINC001141670960 804662724 /nfs/dbraw/zinc/66/27/24/804662724.db2.gz ICTWXIABROSRKJ-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM C[C@@H](Cc1ccccc1)C(=O)Nc1cc([O-])c(F)cc1F ZINC001141834192 804671297 /nfs/dbraw/zinc/67/12/97/804671297.db2.gz WCQWSSCXUNLRLJ-JTQLQIEISA-N -1 1 291.297 3.488 20 0 CGADMM Cc1ccc(-c2noc(-c3ncccc3[O-])n2)cc1Cl ZINC001212480687 815035135 /nfs/dbraw/zinc/03/51/35/815035135.db2.gz CMEHJYVQRHSHAS-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM C[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])c1ccsc1 ZINC001142542305 804736380 /nfs/dbraw/zinc/73/63/80/804736380.db2.gz POHYYKUDGOQXJY-SSDOTTSWSA-N -1 1 283.299 3.474 20 0 CGADMM [O-]c1cc(Nc2cc(F)cc(F)c2O)cc(F)c1F ZINC001212487721 815038676 /nfs/dbraw/zinc/03/86/76/815038676.db2.gz WQZBODJOAFXGKM-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM [O-]c1cc(F)c(CN2C[C@H]3CC[C@@H](C2)C3(F)F)cc1F ZINC001144647192 805022206 /nfs/dbraw/zinc/02/22/06/805022206.db2.gz CHAKTTCIFMJIOD-AOOOYVTPSA-N -1 1 289.272 3.148 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1ccc(F)s1 ZINC001144820496 805057508 /nfs/dbraw/zinc/05/75/08/805057508.db2.gz JBISVCOVDSRAOW-UHFFFAOYSA-N -1 1 268.338 3.256 20 0 CGADMM Cc1c(N)c(F)ccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001249644675 805199529 /nfs/dbraw/zinc/19/95/29/805199529.db2.gz IJUWEOMQZLGVIJ-UHFFFAOYSA-N -1 1 298.321 3.351 20 0 CGADMM CC[C@H](C)CN(CC)C(=O)c1ccc(F)c([O-])c1 ZINC001148851045 805212342 /nfs/dbraw/zinc/21/23/42/805212342.db2.gz KCUTVFYGSVEOCI-JTQLQIEISA-N -1 1 253.317 3.040 20 0 CGADMM CCc1ccc(NC(=O)c2ccc3cccnc3c2[O-])cn1 ZINC001149315095 805228965 /nfs/dbraw/zinc/22/89/65/805228965.db2.gz VBPFNVAUKMALRE-UHFFFAOYSA-N -1 1 293.326 3.150 20 0 CGADMM Cc1nc(Cl)cc(Nc2cc([O-])c(F)c(F)c2F)n1 ZINC001249959143 805326856 /nfs/dbraw/zinc/32/68/56/805326856.db2.gz WVVXKODYPHIUEK-UHFFFAOYSA-N -1 1 289.644 3.305 20 0 CGADMM [O-]c1cc(Nc2cccc(F)n2)c(F)c(F)c1F ZINC001249959235 805326986 /nfs/dbraw/zinc/32/69/86/805326986.db2.gz YNWXDYKGHXNERT-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM CC(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2F)n1 ZINC001249961207 805328464 /nfs/dbraw/zinc/32/84/64/805328464.db2.gz KSOXLJNURLESEY-UHFFFAOYSA-N -1 1 282.221 3.151 20 0 CGADMM Cn1cc2c(cccc2Nc2cc([O-])c(F)c(F)c2F)n1 ZINC001249963620 805331299 /nfs/dbraw/zinc/33/12/99/805331299.db2.gz QIUBUMMOEKTVFR-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM Cc1cc(F)nc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249962766 805331315 /nfs/dbraw/zinc/33/13/15/805331315.db2.gz NNZIZTOPKZWMKJ-UHFFFAOYSA-N -1 1 272.201 3.396 20 0 CGADMM Cn1cnc2ccc(Nc3cc([O-])c(F)c(F)c3F)cc21 ZINC001249962811 805331468 /nfs/dbraw/zinc/33/14/68/805331468.db2.gz GVXALHNCOKPLGL-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM CC[C@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(F)cc1 ZINC001152049861 805332873 /nfs/dbraw/zinc/33/28/73/805332873.db2.gz KFEKPPCSHVWJAC-ZDUSSCGKSA-N -1 1 288.322 3.116 20 0 CGADMM CNC(=O)c1ccc(Nc2cc(Cl)c([O-])cc2F)cc1 ZINC001250022037 805374326 /nfs/dbraw/zinc/37/43/26/805374326.db2.gz DVCCVDXFEACEOX-UHFFFAOYSA-N -1 1 294.713 3.288 20 0 CGADMM CNC(=O)c1ccccc1Nc1cc(Cl)c([O-])cc1F ZINC001250024354 805374825 /nfs/dbraw/zinc/37/48/25/805374825.db2.gz ZPBUNJCOCUIPLS-UHFFFAOYSA-N -1 1 294.713 3.288 20 0 CGADMM COc1ccc(Nc2cc(Cl)c([O-])cc2F)c(CO)c1 ZINC001250023974 805375062 /nfs/dbraw/zinc/37/50/62/805375062.db2.gz KRSLLZFTVOIYAO-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM CN(C(=O)c1c([O-])ccc2ccccc21)c1ccccc1N ZINC001153505894 805400135 /nfs/dbraw/zinc/40/01/35/805400135.db2.gz OLNASLHGOBAZSW-UHFFFAOYSA-N -1 1 292.338 3.404 20 0 CGADMM [O-]c1c(F)cc(F)c(C[C@@H]2COc3ccccc3O2)c1F ZINC001250173419 805459980 /nfs/dbraw/zinc/45/99/80/805459980.db2.gz HXMCPAOENZEAKU-MRVPVSSYSA-N -1 1 296.244 3.192 20 0 CGADMM CC[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])[C@H]1C ZINC001154795069 805488308 /nfs/dbraw/zinc/48/83/08/805488308.db2.gz ZUQUGLXVLYQGRD-UWVGGRQHSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(OCCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001250213722 805495466 /nfs/dbraw/zinc/49/54/66/805495466.db2.gz NFBYHSRCBHRGAF-UHFFFAOYSA-N -1 1 276.719 3.445 20 0 CGADMM COC(=O)c1occc1Nc1c(F)ccc([O-])c1Cl ZINC001250228850 805504898 /nfs/dbraw/zinc/50/48/98/805504898.db2.gz NJJMMEVPNRVFES-UHFFFAOYSA-N -1 1 285.658 3.308 20 0 CGADMM [O-]c1ccc(F)c(Nc2cnc(Cl)nc2)c1Cl ZINC001250228197 805505628 /nfs/dbraw/zinc/50/56/28/805505628.db2.gz PSTIQQSXIYLMJC-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM [O-]c1ccc(F)c(Nc2cccc(CO)c2)c1Cl ZINC001250233864 805507885 /nfs/dbraw/zinc/50/78/85/805507885.db2.gz XQEHYOXVUOGKRP-UHFFFAOYSA-N -1 1 267.687 3.421 20 0 CGADMM CNC(=O)c1ccc(Nc2c(F)ccc([O-])c2Cl)cc1 ZINC001250234213 805508019 /nfs/dbraw/zinc/50/80/19/805508019.db2.gz LIGOFJIXQZLYBK-UHFFFAOYSA-N -1 1 294.713 3.288 20 0 CGADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(C)nc2C)c1 ZINC001259515747 807680136 /nfs/dbraw/zinc/68/01/36/807680136.db2.gz AXUQTOTUAUMGIC-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM O=S(=O)([N-]c1cccc2cncc(F)c21)C1CCCC1 ZINC001259802140 807686803 /nfs/dbraw/zinc/68/68/03/807686803.db2.gz ZNZXGJBKIPTARY-UHFFFAOYSA-N -1 1 294.351 3.058 20 0 CGADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2C)c1 ZINC001260991570 807708659 /nfs/dbraw/zinc/70/86/59/807708659.db2.gz LYYREFFRFFVHBI-UHFFFAOYSA-N -1 1 275.373 3.413 20 0 CGADMM CCOc1cc(C(=O)[N-]c2cccc(Cl)c2F)on1 ZINC001264174458 808042566 /nfs/dbraw/zinc/04/25/66/808042566.db2.gz FAXGNAHDBJRUDE-UHFFFAOYSA-N -1 1 284.674 3.118 20 0 CGADMM CO[C@H]1CC=C(Nc2ccc(F)c(F)c2[O-])CC1 ZINC001212884387 815175160 /nfs/dbraw/zinc/17/51/60/815175160.db2.gz BZPUQUJOZSOGMS-VIFPVBQESA-N -1 1 255.264 3.165 20 0 CGADMM CCOc1ccc(Nc2cc(=O)[n-]c(SC)n2)cc1 ZINC001173851418 808712934 /nfs/dbraw/zinc/71/29/34/808712934.db2.gz MBZHNGWBDXVYHV-UHFFFAOYSA-N -1 1 277.349 3.046 20 0 CGADMM Cc1cccc(C)c1Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001173876100 808732423 /nfs/dbraw/zinc/73/24/23/808732423.db2.gz JTZXKWOEOKFAER-UHFFFAOYSA-N -1 1 291.372 3.156 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc2c(c1)OCCO2 ZINC001173877893 808733811 /nfs/dbraw/zinc/73/38/11/808733811.db2.gz ISUJXMQQLDSXPQ-UHFFFAOYSA-N -1 1 279.242 3.185 20 0 CGADMM COc1cc(O)ccc1Nc1cc([O-])c(F)c(F)c1 ZINC001213097255 815232910 /nfs/dbraw/zinc/23/29/10/815232910.db2.gz DUZVJVZNRDRTDE-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM COc1cc(F)ccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001174131450 808882302 /nfs/dbraw/zinc/88/23/02/808882302.db2.gz LLIMCOOBXQXYSY-UHFFFAOYSA-N -1 1 299.305 3.469 20 0 CGADMM CC(C)c1nnc([N-]c2cccc3cnccc32)o1 ZINC001174134723 808884129 /nfs/dbraw/zinc/88/41/29/808884129.db2.gz PQNJPXCYSJBDQM-UHFFFAOYSA-N -1 1 254.293 3.485 20 0 CGADMM COC(=O)c1cccc(F)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213381834 815274700 /nfs/dbraw/zinc/27/47/00/815274700.db2.gz KCRQLSOGFAADHM-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1c(F)cc(O)cc1F ZINC001175100424 809272063 /nfs/dbraw/zinc/27/20/63/809272063.db2.gz UAFNSNONHOJTHB-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1c(F)ccc(O)c1F ZINC001175265841 809330582 /nfs/dbraw/zinc/33/05/82/809330582.db2.gz QHTFZEAQKLJXNG-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc(N2CCCC2)nc1 ZINC001175348342 809370891 /nfs/dbraw/zinc/37/08/91/809370891.db2.gz FCQVUEQBXSGRQP-UHFFFAOYSA-N -1 1 291.301 3.409 20 0 CGADMM COc1ncc([N-]c2cc(CC(C)(C)C)no2)s1 ZINC001175387319 809386938 /nfs/dbraw/zinc/38/69/38/809386938.db2.gz QKZCSCZWZCDMHR-UHFFFAOYSA-N -1 1 267.354 3.472 20 0 CGADMM CCc1cccc(NC(=O)c2ccc(F)c([O-])c2)c1 ZINC001290028979 809399128 /nfs/dbraw/zinc/39/91/28/809399128.db2.gz SKFKBIZQDOLPED-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM Cc1ccc2[nH]ncc2c1[N-]c1nnc(C(C)(C)C)o1 ZINC001175526461 809443852 /nfs/dbraw/zinc/44/38/52/809443852.db2.gz WIGAFLJYVYOFIQ-UHFFFAOYSA-N -1 1 271.324 3.295 20 0 CGADMM CC(C)C[C@H]1CCCN(C(=O)c2cccc([O-])c2F)C1 ZINC001294957770 809477980 /nfs/dbraw/zinc/47/79/80/809477980.db2.gz CUMSUYQQUWYABA-GFCCVEGCSA-N -1 1 279.355 3.430 20 0 CGADMM Cc1cc(C)c2c(c1)CN(C(=O)c1cccc([O-])c1F)CC2 ZINC001296584605 809505727 /nfs/dbraw/zinc/50/57/27/809505727.db2.gz IHHFLVUFFJVWQX-UHFFFAOYSA-N -1 1 299.345 3.347 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)CC2CCCCC2)c([O-])c1 ZINC001297131394 809513136 /nfs/dbraw/zinc/51/31/36/809513136.db2.gz XQPXYNZUQTYBAR-GFCCVEGCSA-N -1 1 276.380 3.184 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccc([O-])c(F)c2F)cn1 ZINC001297820010 809523950 /nfs/dbraw/zinc/52/39/50/809523950.db2.gz LINMOOIQJSOPPR-UHFFFAOYSA-N -1 1 292.285 3.441 20 0 CGADMM CC[C@@H]1CCC[C@H]1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001298061123 809527136 /nfs/dbraw/zinc/52/71/36/809527136.db2.gz WQYXNYQPEKDMGU-OLZOCXBDSA-N -1 1 298.386 3.497 20 0 CGADMM CC[C@H](CC(=O)n1[n-]c(=O)c2ccc(OC)cc21)C(C)C ZINC001298721846 809537759 /nfs/dbraw/zinc/53/77/59/809537759.db2.gz VXKLKACLQCBIKT-LLVKDONJSA-N -1 1 290.363 3.463 20 0 CGADMM CC[C@@H](CC(=O)n1[n-]c(=O)c2ccc(OC)cc21)C(C)C ZINC001298721847 809538241 /nfs/dbraw/zinc/53/82/41/809538241.db2.gz VXKLKACLQCBIKT-NSHDSACASA-N -1 1 290.363 3.463 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1C[C@H]1C1CCCC1 ZINC001300516785 809569481 /nfs/dbraw/zinc/56/94/81/809569481.db2.gz FERFASSKPRROOT-KBPBESRZSA-N -1 1 263.312 3.062 20 0 CGADMM CC1(NC(=O)c2ccc(F)c([O-])c2)CCC(F)(F)CC1 ZINC001300865856 809574768 /nfs/dbraw/zinc/57/47/68/809574768.db2.gz MSLPUONDDHYDIA-UHFFFAOYSA-N -1 1 287.281 3.229 20 0 CGADMM Cc1cc(F)c(C(=O)Nc2cccc(F)c2[O-])c(F)c1 ZINC001302486177 809595253 /nfs/dbraw/zinc/59/52/53/809595253.db2.gz OTJRMINBNZFJEF-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM [O-]c1c(Nc2cccc3c2OCC3)ccc(F)c1F ZINC001176079519 809617312 /nfs/dbraw/zinc/61/73/12/809617312.db2.gz VJDHAPSCLJGYIC-UHFFFAOYSA-N -1 1 263.243 3.349 20 0 CGADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)n(CC2CC2)n1 ZINC001176662963 809737233 /nfs/dbraw/zinc/73/72/33/809737233.db2.gz FHQRDSREYWVPDY-UHFFFAOYSA-N -1 1 297.280 3.468 20 0 CGADMM Nc1ccc(N(c2c(F)cc(F)c([O-])c2F)C2CC2)nc1 ZINC001176662938 809737439 /nfs/dbraw/zinc/73/74/39/809737439.db2.gz CYIBBPBZWOKXAH-UHFFFAOYSA-N -1 1 295.264 3.087 20 0 CGADMM COc1cc(O)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176670808 809739859 /nfs/dbraw/zinc/73/98/59/809739859.db2.gz LRVDVYBMRWGKAX-UHFFFAOYSA-N -1 1 285.221 3.267 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccc3c2OCCO3)c1F ZINC001176671561 809740214 /nfs/dbraw/zinc/74/02/14/809740214.db2.gz GUXNDZWZDLLUFI-UHFFFAOYSA-N -1 1 297.232 3.324 20 0 CGADMM COc1cc(F)ncc1Nc1c(F)cc(F)c([O-])c1F ZINC001176669962 809740233 /nfs/dbraw/zinc/74/02/33/809740233.db2.gz PQPFEYOGOAFDCU-UHFFFAOYSA-N -1 1 288.200 3.096 20 0 CGADMM CC(=O)c1cccc(Nc2c(F)cc(F)c([O-])c2F)c1O ZINC001176672871 809741157 /nfs/dbraw/zinc/74/11/57/809741157.db2.gz MLSHCVVGUPLUBG-UHFFFAOYSA-N -1 1 297.232 3.461 20 0 CGADMM O=C1Cc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2C1 ZINC001176673611 809741172 /nfs/dbraw/zinc/74/11/72/809741172.db2.gz XWJWOHYZLDOFHQ-UHFFFAOYSA-N -1 1 293.244 3.221 20 0 CGADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc(Cl)cc2)c1 ZINC001176729531 809752850 /nfs/dbraw/zinc/75/28/50/809752850.db2.gz GMZLOPRIJDSBDS-UHFFFAOYSA-N -1 1 297.763 3.193 20 0 CGADMM Cc1ccc(-c2noc(-c3cc([O-])cnc3Cl)n2)cc1 ZINC001213697821 815323231 /nfs/dbraw/zinc/32/32/31/815323231.db2.gz FNEHKTAASPGWKB-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc([O-])cn1 ZINC001178524405 809873719 /nfs/dbraw/zinc/87/37/19/809873719.db2.gz UIRBIEGMVVUPBA-GUYCJALGSA-N -1 1 296.370 3.196 20 0 CGADMM C[C@H]1Cc2cc(NC(=O)c3cc(F)ccc3[O-])ccc2O1 ZINC001179509806 809926618 /nfs/dbraw/zinc/92/66/18/809926618.db2.gz LAQLDNLDBAXDBQ-VIFPVBQESA-N -1 1 287.290 3.107 20 0 CGADMM O=c1ccc2cc(Nc3c([O-])cc(F)cc3F)ccc2[nH]1 ZINC001213776367 815330720 /nfs/dbraw/zinc/33/07/20/815330720.db2.gz XNJXAFHHVFDUSW-UHFFFAOYSA-N -1 1 288.253 3.256 20 0 CGADMM C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc([O-])c(F)c1F ZINC001182172507 810096958 /nfs/dbraw/zinc/09/69/58/810096958.db2.gz CQYGVDBIJAIBBU-JDNHERCYSA-N -1 1 291.297 3.282 20 0 CGADMM CC[C@H]1CCC[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183218909 810140982 /nfs/dbraw/zinc/14/09/82/810140982.db2.gz QQBJYZYAMFPJGP-DTWKUNHWSA-N -1 1 268.744 3.205 20 0 CGADMM Cc1noc(C)c1NC(=O)Nc1cccc([O-])c1Cl ZINC001185183510 810242921 /nfs/dbraw/zinc/24/29/21/810242921.db2.gz PWGGOCYSHAZJSG-UHFFFAOYSA-N -1 1 281.699 3.294 20 0 CGADMM O=C(NCc1cccc(F)c1)Nc1cc(F)c(F)cc1[O-] ZINC001185826023 810295666 /nfs/dbraw/zinc/29/56/66/810295666.db2.gz ZTSDUYWYYNWVQW-UHFFFAOYSA-N -1 1 296.248 3.131 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)CCC1(F)F ZINC001186209061 810322166 /nfs/dbraw/zinc/32/21/66/810322166.db2.gz OBFGJHHGFVTUOC-SECBINFHSA-N -1 1 287.281 3.039 20 0 CGADMM O=C(Nc1cccc2[nH]c(=O)ccc12)c1ccc([O-])cc1F ZINC001186328519 810329739 /nfs/dbraw/zinc/32/97/39/810329739.db2.gz FKZCDHRILGRNOI-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM CC(C)[C@H](NC(=O)c1ccc([O-])cc1F)c1cccnc1 ZINC001186348450 810330628 /nfs/dbraw/zinc/33/06/28/810330628.db2.gz NUDWISWUBQBVTA-HNNXBMFYSA-N -1 1 288.322 3.053 20 0 CGADMM CC(C)c1cccc([N-]S(=O)(=O)c2ccncc2)c1 ZINC001190845845 810652806 /nfs/dbraw/zinc/65/28/06/810652806.db2.gz KEJYYABZCSZYRO-UHFFFAOYSA-N -1 1 276.361 3.006 20 0 CGADMM Cc1ncc(NC(=O)c2ccc(C(C)(C)C)cc2[O-])nc1C ZINC001192313332 810786738 /nfs/dbraw/zinc/78/67/38/810786738.db2.gz BBBWKVFIUVPUQF-UHFFFAOYSA-N -1 1 299.374 3.349 20 0 CGADMM [O-]c1c(F)cc(Nc2ccc(F)nc2)cc1Cl ZINC001214480133 815415028 /nfs/dbraw/zinc/41/50/28/815415028.db2.gz LWXLQIZWWNITCV-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)Oc1ccccc1 ZINC001194251036 811041168 /nfs/dbraw/zinc/04/11/68/811041168.db2.gz GDDVXACRCJEPDD-UHFFFAOYSA-N -1 1 265.215 3.281 20 0 CGADMM C[C@@H](O)c1ccnc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214486791 815416482 /nfs/dbraw/zinc/41/64/82/815416482.db2.gz ZJGUBTZSLOTIQJ-SSDOTTSWSA-N -1 1 282.702 3.377 20 0 CGADMM COc1cc(CO)ccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214490211 815417532 /nfs/dbraw/zinc/41/75/32/815417532.db2.gz QWRLYEQFAJMNJP-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2ccccc2-c2cnco2)n1 ZINC001195325339 811242945 /nfs/dbraw/zinc/24/29/45/811242945.db2.gz BASIQHZHWVSPCL-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(F)c(Cl)c1F ZINC001195486728 811260257 /nfs/dbraw/zinc/26/02/57/811260257.db2.gz KFPCBLZVWWNBCF-UHFFFAOYSA-N -1 1 294.710 3.061 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc2sccc2c1 ZINC001195490817 811261977 /nfs/dbraw/zinc/26/19/77/811261977.db2.gz MPELYOUWUFZHFX-UHFFFAOYSA-N -1 1 280.374 3.344 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccccc1CC(C)C ZINC001195493170 811262030 /nfs/dbraw/zinc/26/20/30/811262030.db2.gz YNAVENPYVPPMMO-UHFFFAOYSA-N -1 1 280.393 3.328 20 0 CGADMM [O-]c1cnc(Cl)cc1NC(=S)Nc1cccc(F)c1 ZINC001197615496 811437314 /nfs/dbraw/zinc/43/73/14/811437314.db2.gz CEHWQFCYVWQZJK-UHFFFAOYSA-N -1 1 297.742 3.389 20 0 CGADMM CCCCNC(=S)Nc1cccc(C(F)(F)F)c1[O-] ZINC001200457612 811692721 /nfs/dbraw/zinc/69/27/21/811692721.db2.gz XJBOJWBKIZOACY-UHFFFAOYSA-N -1 1 292.326 3.498 20 0 CGADMM CC[C@H](C)NC(=S)Nc1cc([O-])c(Cl)cc1F ZINC001200482376 811702525 /nfs/dbraw/zinc/70/25/25/811702525.db2.gz MQFBIILUBXRJBY-LURJTMIESA-N -1 1 276.764 3.270 20 0 CGADMM O=C(Nc1ccc([N-]c2nnco2)cc1)c1ccccc1 ZINC001201305029 811810242 /nfs/dbraw/zinc/81/02/42/811810242.db2.gz KJXKAIIDUAIDMI-UHFFFAOYSA-N -1 1 280.287 3.066 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])Nc1ccccc1F ZINC001202001269 811994050 /nfs/dbraw/zinc/99/40/50/811994050.db2.gz NXIZRVDZDAEMFU-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM [O-]c1cc(Nc2cccc(CCO)c2)c(F)cc1Cl ZINC001203116295 812244818 /nfs/dbraw/zinc/24/48/18/812244818.db2.gz XTUUVINKDYLTQB-UHFFFAOYSA-N -1 1 281.714 3.463 20 0 CGADMM Fc1ccc(-c2cc([N-]c3cnoc3)on2)cc1F ZINC001203231445 812273597 /nfs/dbraw/zinc/27/35/97/812273597.db2.gz JBBZHUGTLLSFCQ-UHFFFAOYSA-N -1 1 263.203 3.351 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc3nsnc32)cc1F ZINC001215572715 815538452 /nfs/dbraw/zinc/53/84/52/815538452.db2.gz RICVOEMOMXRFDU-UHFFFAOYSA-N -1 1 279.271 3.419 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc3snnc32)cc1F ZINC001215575902 815538656 /nfs/dbraw/zinc/53/86/56/815538656.db2.gz FSZGPAJJYQWIRK-UHFFFAOYSA-N -1 1 279.271 3.419 20 0 CGADMM O=C1NCc2cc(Nc3cc(F)c([O-])cc3F)ccc2N1 ZINC001215576906 815540126 /nfs/dbraw/zinc/54/01/26/815540126.db2.gz MXHZHJRFLRVWJJ-UHFFFAOYSA-N -1 1 291.257 3.049 20 0 CGADMM Oc1ccc(-c2ccc([N-]c3nnco3)cc2)cc1 ZINC001205129107 812878458 /nfs/dbraw/zinc/87/84/58/812878458.db2.gz NQMWMQMYZDXLEB-UHFFFAOYSA-N -1 1 253.261 3.186 20 0 CGADMM CN(C)Cc1cc(-c2ccsc2C(=O)[O-])ccc1F ZINC001205614812 813025001 /nfs/dbraw/zinc/02/50/01/813025001.db2.gz RDKGAAQMHSIXNA-UHFFFAOYSA-N -1 1 279.336 3.314 20 0 CGADMM [O-]c1c(Nc2ccc3c(c2)OCC3)ccc(F)c1F ZINC001206700006 813401286 /nfs/dbraw/zinc/40/12/86/813401286.db2.gz BFZKIZNYUMGEKS-UHFFFAOYSA-N -1 1 263.243 3.349 20 0 CGADMM Cc1ccc(N)c2nn(-c3cccc(Cl)c3[O-])cc21 ZINC001210220385 814348060 /nfs/dbraw/zinc/34/80/60/814348060.db2.gz UFOHBFLUCNUUFD-UHFFFAOYSA-N -1 1 273.723 3.275 20 0 CGADMM Cc1ccc(Nc2c([O-])cc(F)cc2F)cc1CO ZINC001210249847 814365499 /nfs/dbraw/zinc/36/54/99/814365499.db2.gz ZTRQAAGOWMUOCV-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM CC(C)n1ccc(Nc2cc([O-])c(F)c(F)c2)n1 ZINC001210344073 814413752 /nfs/dbraw/zinc/41/37/52/814413752.db2.gz SOOYRACUPIPIMP-UHFFFAOYSA-N -1 1 253.252 3.191 20 0 CGADMM Nc1cncc(Nc2ccc(Cl)c(Cl)c2[O-])c1 ZINC001210441007 814457785 /nfs/dbraw/zinc/45/77/85/814457785.db2.gz ABFBJLMVAFWALA-UHFFFAOYSA-N -1 1 270.119 3.420 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3ncncc3c2)cc1F ZINC001210459185 814469619 /nfs/dbraw/zinc/46/96/19/814469619.db2.gz FMYBGCKFIGOTPY-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cccc2c1OCO2 ZINC001210559754 814526794 /nfs/dbraw/zinc/52/67/94/814526794.db2.gz MFTYWBUKTPCRRS-UHFFFAOYSA-N -1 1 265.215 3.143 20 0 CGADMM c1cc2cc([N-]c3nonc3C3CC3)cnc2s1 ZINC001210693161 814587315 /nfs/dbraw/zinc/58/73/15/814587315.db2.gz SSXCKAQUHANMPL-UHFFFAOYSA-N -1 1 258.306 3.300 20 0 CGADMM CCC(C)=Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001210795058 814630004 /nfs/dbraw/zinc/63/00/04/814630004.db2.gz QUFDDQMKVPOLEN-YCRREMRBSA-N -1 1 293.344 3.128 20 0 CGADMM COC(=O)c1ccnc(-c2cccc([O-])c2Cl)c1F ZINC001242797358 823135387 /nfs/dbraw/zinc/13/53/87/823135387.db2.gz GXRCQPKCKILRBE-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM [O-]c1cc(Nc2c[nH]c3ncccc23)cc(F)c1F ZINC001210941859 814683838 /nfs/dbraw/zinc/68/38/38/814683838.db2.gz IWEHOLSGKXUCQC-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM C=C(Nc1ccc(S(=O)(=O)[O-])cc1)c1ccccc1 ZINC001210989235 814699410 /nfs/dbraw/zinc/69/94/10/814699410.db2.gz JYONEAWAWVNLIV-UHFFFAOYSA-N -1 1 275.329 3.016 20 0 CGADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cncc(CO)c1 ZINC001211102580 814745941 /nfs/dbraw/zinc/74/59/41/814745941.db2.gz MBCBXIJIDQXSEV-UHFFFAOYSA-N -1 1 285.130 3.330 20 0 CGADMM COC(=O)c1cc(C)c(-c2cccc([O-])c2Cl)cn1 ZINC001242799897 823136489 /nfs/dbraw/zinc/13/64/89/823136489.db2.gz HLIXGTDILNUKCD-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM [O-]c1cccc(-c2ncnc3sncc32)c1Cl ZINC001242801883 823137327 /nfs/dbraw/zinc/13/73/27/823137327.db2.gz ZTIJTBOCUOZUAS-UHFFFAOYSA-N -1 1 263.709 3.112 20 0 CGADMM COC(=O)COc1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242802200 823137961 /nfs/dbraw/zinc/13/79/61/823137961.db2.gz AHEASJPSGQQFAQ-UHFFFAOYSA-N -1 1 292.718 3.264 20 0 CGADMM O=C1CCc2cc(-c3cc(F)c([O-])cc3F)ccc2N1 ZINC001211337996 814882009 /nfs/dbraw/zinc/88/20/09/814882009.db2.gz AUYLAIXQOHBXDK-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM [O-]c1cc(F)c(-c2cnc3[nH]cc(F)c3c2)cc1F ZINC001211352984 814884463 /nfs/dbraw/zinc/88/44/63/814884463.db2.gz QBYUIVQJCOOCDE-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM COC(=O)c1ccc(OC)c(-c2cc(F)c([O-])cc2F)c1 ZINC001211352142 814884538 /nfs/dbraw/zinc/88/45/38/814884538.db2.gz IEVLMQYPULXGMP-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM Cc1cc(Nc2cnc3cccc(C)n23)cc(C(=O)[O-])c1 ZINC001211539201 814903533 /nfs/dbraw/zinc/90/35/33/814903533.db2.gz LAQTUEBABOHUNE-UHFFFAOYSA-N -1 1 281.315 3.393 20 0 CGADMM Cc1ccc(Nc2ccnn2-c2ccncc2)cc1C(=O)[O-] ZINC001211599743 814914813 /nfs/dbraw/zinc/91/48/13/814914813.db2.gz UQXUODRYHDIRNT-UHFFFAOYSA-N -1 1 294.314 3.018 20 0 CGADMM COc1cc(Nc2cc(C)c(C(=O)[O-])c(C)c2)ncc1C ZINC001216308985 815774256 /nfs/dbraw/zinc/77/42/56/815774256.db2.gz JIBLYQUMIVLBTJ-UHFFFAOYSA-N -1 1 286.331 3.457 20 0 CGADMM COc1c(F)ccc([N-]c2nnc(C(C)C)o2)c1OC ZINC001216389407 815809499 /nfs/dbraw/zinc/80/94/99/815809499.db2.gz DHWHOOLYGPRFQH-UHFFFAOYSA-N -1 1 281.287 3.093 20 0 CGADMM CCOc1cc(Nc2c([O-])cc(F)cc2F)ccn1 ZINC001216626659 815881381 /nfs/dbraw/zinc/88/13/81/815881381.db2.gz BGISTIMNIYKSDI-UHFFFAOYSA-N -1 1 266.247 3.208 20 0 CGADMM COc1c(C(=O)[O-])cccc1-c1cccc2nc(C)[nH]c21 ZINC001242923345 823173719 /nfs/dbraw/zinc/17/37/19/823173719.db2.gz KBDJELLLDPGRQP-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM Cc1ccc2ncc([O-])c(C(=O)Nc3cccc(N)c3)c2c1 ZINC001218828385 816253938 /nfs/dbraw/zinc/25/39/38/816253938.db2.gz FIZFNCFACTWOFZ-UHFFFAOYSA-N -1 1 293.326 3.083 20 0 CGADMM CC(C)C[C@@H](C)C[C@H](CC(C)C)OCc1nn[n-]n1 ZINC001223028903 816553668 /nfs/dbraw/zinc/55/36/68/816553668.db2.gz FLOTVJGKBLRXLM-OLZOCXBDSA-N -1 1 268.405 3.203 20 0 CGADMM C(=C/[C@@H](OCc1nn[n-]n1)c1ccccc1)\c1ccccc1 ZINC001223028230 816553895 /nfs/dbraw/zinc/55/38/95/816553895.db2.gz YYXWUSPSJVLQSW-LPQFERQCSA-N -1 1 292.342 3.171 20 0 CGADMM CC(C)C[C@H](C[C@@H](C)CC(C)C)OCc1nn[n-]n1 ZINC001223028904 816554379 /nfs/dbraw/zinc/55/43/79/816554379.db2.gz FLOTVJGKBLRXLM-QWHCGFSZSA-N -1 1 268.405 3.203 20 0 CGADMM CC[C@H](C)Oc1nccnc1-c1ccc(F)c([O-])c1 ZINC001243050695 823227988 /nfs/dbraw/zinc/22/79/88/823227988.db2.gz QRHKHYLJEDHHIK-VIFPVBQESA-N -1 1 262.284 3.166 20 0 CGADMM O=[P@]([O-])(O)CCO[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC001224602181 816830902 /nfs/dbraw/zinc/83/09/02/816830902.db2.gz OUXHMVLJTABFQA-UONOGXRCSA-N -1 1 290.340 3.320 20 0 CGADMM [O-]c1cc(-c2ncc(-c3cccnc3)cn2)ccc1F ZINC001243050687 823227897 /nfs/dbraw/zinc/22/78/97/823227897.db2.gz QQAVNVABVWDWCS-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM O=[P@]([O-])(O)CCCCO[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001225018540 816932629 /nfs/dbraw/zinc/93/26/29/816932629.db2.gz AFJXZXKQQWPZLC-MGPQQGTHSA-N -1 1 290.340 3.320 20 0 CGADMM CC(C)C[C@@H](OCCCC[P@](=O)([O-])O)C(C)C ZINC001225018804 816932650 /nfs/dbraw/zinc/93/26/50/816932650.db2.gz IBTYZPANBKVAIJ-GFCCVEGCSA-N -1 1 266.318 3.032 20 0 CGADMM CC1(C)[C@H](OCCCC[P@](=O)([O-])O)[C@]2(C)CC[C@H]1C2 ZINC001225019238 816934370 /nfs/dbraw/zinc/93/43/70/816934370.db2.gz VDFTYWHJOPDZNW-SGMGOOAPSA-N -1 1 290.340 3.176 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C)c1ccc(C)nc1 ZINC001225678267 817138409 /nfs/dbraw/zinc/13/84/09/817138409.db2.gz DNORKDFMAGPEPJ-NSHDSACASA-N -1 1 287.315 3.144 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC001225806331 817184341 /nfs/dbraw/zinc/18/43/41/817184341.db2.gz AHMAZOXVGKKUQS-QGZVFWFLSA-N -1 1 298.338 3.181 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccc(O[C@@H]2CCCOC2)cc1 ZINC001225806803 817184664 /nfs/dbraw/zinc/18/46/64/817184664.db2.gz DFLZXPPQUMHDHA-QGZVFWFLSA-N -1 1 298.338 3.181 20 0 CGADMM CC[C@@H](Oc1nc(=O)[n-]cc1C(C)=O)C1CCCCC1 ZINC001226240979 817308179 /nfs/dbraw/zinc/30/81/79/817308179.db2.gz QMIAYVCYXLNCOM-CYBMUJFWSA-N -1 1 278.352 3.123 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H](C)CCC=C(C)C ZINC001226245477 817309553 /nfs/dbraw/zinc/30/95/53/817309553.db2.gz JXVWFHKSOACCBR-SNVBAGLBSA-N -1 1 268.382 3.288 20 0 CGADMM CC/C=C(\C)[C@H](CC)Oc1[n-]c(=S)ncc1OC ZINC001226246298 817309931 /nfs/dbraw/zinc/30/99/31/817309931.db2.gz PEQBKIFQGZEIIK-PCYYEKQGSA-N -1 1 268.382 3.288 20 0 CGADMM CC[C@H](Oc1cc([O-])ccc1C(=O)COC)C(C)(C)C ZINC001227169030 817578541 /nfs/dbraw/zinc/57/85/41/817578541.db2.gz OZAXRGIQEKRJIN-HNNXBMFYSA-N -1 1 280.364 3.425 20 0 CGADMM Cc1cc(C(=O)[O-])cc(-c2cccn3cncc23)c1 ZINC001243178060 823275234 /nfs/dbraw/zinc/27/52/34/823275234.db2.gz MTBIOQJBPPJNRJ-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM Cc1ccccc1OC[C@@H](C)Oc1[n-]c(=S)ncc1F ZINC001227386256 817636710 /nfs/dbraw/zinc/63/67/10/817636710.db2.gz ORAHDHFOLAWSNG-SNVBAGLBSA-N -1 1 294.351 3.059 20 0 CGADMM CCCC/C=C/[C@@H](C)Oc1[n-]c(=S)ncc1F ZINC001227387534 817638226 /nfs/dbraw/zinc/63/82/26/817638226.db2.gz ZESOSLYKHUCLHD-XCODYQFDSA-N -1 1 256.346 3.418 20 0 CGADMM Cc1ccccc1[C@@H](C)Oc1[n-]c(=O)nc2c1CO[C@@H]2C ZINC001227709642 817699411 /nfs/dbraw/zinc/69/94/11/817699411.db2.gz FAOUOWJZLZSYME-GHMZBOCLSA-N -1 1 286.331 3.222 20 0 CGADMM CSc1nc(O[C@@H](c2ccccc2)C2CC2)cc(=O)[n-]1 ZINC001228090073 817808543 /nfs/dbraw/zinc/80/85/43/817808543.db2.gz HWKNPCUUYCLMDC-AWEZNQCLSA-N -1 1 288.372 3.434 20 0 CGADMM O=C(c1ccccc1)c1ccc([O-])cc1OC[C@@H]1CCCO1 ZINC001228185881 817834098 /nfs/dbraw/zinc/83/40/98/817834098.db2.gz LLESKZFXOOSDGQ-HNNXBMFYSA-N -1 1 298.338 3.181 20 0 CGADMM O=C([O-])c1ccc(F)c(CN2CCC[C@@H](C(F)F)C2)c1 ZINC001231458338 818102107 /nfs/dbraw/zinc/10/21/07/818102107.db2.gz HMXURQDQUWGXBS-SNVBAGLBSA-N -1 1 287.281 3.001 20 0 CGADMM [O-]c1cc(CN2CCCC[C@H](F)C2)ccc1Cl ZINC001231730531 818160759 /nfs/dbraw/zinc/16/07/59/818160759.db2.gz BOIGSQJFPJOMCO-NSHDSACASA-N -1 1 257.736 3.370 20 0 CGADMM Cc1nc2c(s1)CN(Cc1ccc(Cl)c([O-])c1)C2 ZINC001231736057 818163052 /nfs/dbraw/zinc/16/30/52/818163052.db2.gz YXYBKAWDDIDYBP-UHFFFAOYSA-N -1 1 280.780 3.326 20 0 CGADMM CN(Cc1cscn1)Cc1ccc(Cl)c([O-])c1 ZINC001231737478 818163771 /nfs/dbraw/zinc/16/37/71/818163771.db2.gz RNMKPSPMWNNBIY-UHFFFAOYSA-N -1 1 268.769 3.134 20 0 CGADMM Cc1cccc2c1CN(Cc1ccc(F)c([O-])c1F)C2 ZINC001232932319 818475590 /nfs/dbraw/zinc/47/55/90/818475590.db2.gz XYCDXGKLMAYSCL-UHFFFAOYSA-N -1 1 275.298 3.495 20 0 CGADMM [O-]c1c(F)ccc(CN2CCCCC(F)(F)C2)c1F ZINC001232931263 818475894 /nfs/dbraw/zinc/47/58/94/818475894.db2.gz LGNCOTSQKOTCIV-UHFFFAOYSA-N -1 1 277.261 3.292 20 0 CGADMM [O-]c1c(F)ccc(CN2CC3(C2)CCCCC3)c1F ZINC001232936778 818477763 /nfs/dbraw/zinc/47/77/63/818477763.db2.gz GIGLEBYHQIZJIR-UHFFFAOYSA-N -1 1 267.319 3.437 20 0 CGADMM C[C@]1(CF)CC(F)(F)CN1Cc1cc([O-])c(F)c(F)c1 ZINC001232970792 818487149 /nfs/dbraw/zinc/48/71/49/818487149.db2.gz NJUZWHXJUNEFLP-GFCCVEGCSA-N -1 1 295.251 3.240 20 0 CGADMM CC(C)OC1CCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232971529 818487317 /nfs/dbraw/zinc/48/73/17/818487317.db2.gz LTZSQPFGMWJIKT-UHFFFAOYSA-N -1 1 285.334 3.060 20 0 CGADMM COC(=O)c1ccccc1-c1ccc([O-])c(F)c1F ZINC001243338520 823352324 /nfs/dbraw/zinc/35/23/24/823352324.db2.gz GBAFEBRRAGGRDW-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM COC(=O)c1ccc(F)c(-c2ccc([O-])c(F)c2F)c1 ZINC001243340619 823353963 /nfs/dbraw/zinc/35/39/63/823353963.db2.gz ZSQHZNBWVFSNOL-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM CCCOC(=O)[C@@H](C)Oc1cc([O-])ccc1C(=O)CCC ZINC001233650693 818669673 /nfs/dbraw/zinc/66/96/73/818669673.db2.gz PZVYFBVSLYLRIG-LLVKDONJSA-N -1 1 294.347 3.096 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OCC[C@@H](C)OC ZINC001233651365 818669903 /nfs/dbraw/zinc/66/99/03/818669903.db2.gz YWIXFLQOGLLOOA-LLVKDONJSA-N -1 1 266.337 3.179 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1CCO[C@@H](C)C1 ZINC001233650964 818670039 /nfs/dbraw/zinc/67/00/39/818670039.db2.gz UXICNWFJRAZWEB-WCQYABFASA-N -1 1 278.348 3.321 20 0 CGADMM CCOc1cc(C)c(-c2ccc([O-])c(F)c2F)cn1 ZINC001243342239 823357201 /nfs/dbraw/zinc/35/72/01/823357201.db2.gz BMWDYAUXEYDVJR-UHFFFAOYSA-N -1 1 265.259 3.440 20 0 CGADMM O=c1cc(-c2ccc([O-])c(F)c2F)ccn1C1CCC1 ZINC001243343588 823358840 /nfs/dbraw/zinc/35/88/40/823358840.db2.gz IKSRCLDYILAZOQ-UHFFFAOYSA-N -1 1 277.270 3.224 20 0 CGADMM [O-]c1ccc(-c2ccc(-c3nnco3)cc2)c(F)c1F ZINC001243342947 823359348 /nfs/dbraw/zinc/35/93/48/823359348.db2.gz RAZLMVZGZJSGKI-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CC(C)(C)N1CC(Oc2ccc3[n-]c(=S)sc3c2)C1 ZINC001234426793 818853034 /nfs/dbraw/zinc/85/30/34/818853034.db2.gz KRRXJVHSZURRRP-UHFFFAOYSA-N -1 1 294.445 3.447 20 0 CGADMM CC[C@H]1CC[C@H](Oc2[n-]c(=O)c(F)cc2C(=O)OC)CC1 ZINC001234606604 818889641 /nfs/dbraw/zinc/88/96/41/818889641.db2.gz GNLZBFZKZGAIQG-MGCOHNPYSA-N -1 1 297.326 3.061 20 0 CGADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H](CC(C)C)C(C)C ZINC001234609653 818891165 /nfs/dbraw/zinc/89/11/65/818891165.db2.gz PAUXVGQFUQUFGD-GFCCVEGCSA-N -1 1 299.342 3.162 20 0 CGADMM CCCCC[C@@H](C)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234610778 818891540 /nfs/dbraw/zinc/89/15/40/818891540.db2.gz VDRLFABPORTAFZ-SECBINFHSA-N -1 1 285.315 3.061 20 0 CGADMM Cc1ncc(-c2cc(F)cc(F)c2[O-])c(C(F)(F)F)n1 ZINC001243507218 823424821 /nfs/dbraw/zinc/42/48/21/823424821.db2.gz TYOAPSOECJUQMR-UHFFFAOYSA-N -1 1 290.191 3.455 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cnc2ncccc2c1 ZINC001243505611 823423349 /nfs/dbraw/zinc/42/33/49/823423349.db2.gz VCSSVEDMVWYJDA-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1nccc(C)c1-c1cc(F)cc(F)c1[O-] ZINC001243504748 823423412 /nfs/dbraw/zinc/42/34/12/823423412.db2.gz PMKNHILTSZETBR-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CN1Cc2cccc(-c3cc(F)cc(F)c3[O-])c2NC1=O ZINC001243506622 823423893 /nfs/dbraw/zinc/42/38/93/823423893.db2.gz FXGKVEOMORWTBA-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM CC(C)(C)c1ncc(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243505946 823423972 /nfs/dbraw/zinc/42/39/72/823423972.db2.gz NJMJCVCFDURZDF-UHFFFAOYSA-N -1 1 264.275 3.425 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@]3(CCOC3)C2)cc1Cl ZINC001237985568 819902386 /nfs/dbraw/zinc/90/23/86/819902386.db2.gz ZWAHFRIIRZUBGI-HNNXBMFYSA-N -1 1 299.773 3.187 20 0 CGADMM CN(Cc1cc(F)c([O-])c(Cl)c1)C1CC(F)(F)C1 ZINC001237990776 819905724 /nfs/dbraw/zinc/90/57/24/819905724.db2.gz SHGLLGRJKBTQSX-UHFFFAOYSA-N -1 1 279.689 3.414 20 0 CGADMM [O-]c1cccc(-c2ncnc(-c3cccc(F)c3)n2)c1F ZINC001243544882 823437342 /nfs/dbraw/zinc/43/73/42/823437342.db2.gz XSWXHIOMSHOWJH-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM COC(=O)c1ccccc1-c1ccc(Cl)c([O-])c1 ZINC001243579433 823452915 /nfs/dbraw/zinc/45/29/15/823452915.db2.gz UPFLUIZJXPHLCO-UHFFFAOYSA-N -1 1 262.692 3.499 20 0 CGADMM CC(C)Oc1cncc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243578877 823452974 /nfs/dbraw/zinc/45/29/74/823452974.db2.gz KRWWKEFHJOGPDC-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM COc1ncc(F)cc1-c1ccc(Cl)c([O-])c1 ZINC001243582072 823454378 /nfs/dbraw/zinc/45/43/78/823454378.db2.gz WYUAZRSHQFLYJC-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM Cc1ccc(-c2ccc(Cl)c([O-])c2)cc1-c1nn[nH]n1 ZINC001243581919 823454395 /nfs/dbraw/zinc/45/43/95/823454395.db2.gz MWCMULQKCGYNBB-UHFFFAOYSA-N -1 1 286.722 3.201 20 0 CGADMM O=c1ccc(-c2ccc(Cl)c([O-])c2)cn1CC1CC1 ZINC001243583033 823454944 /nfs/dbraw/zinc/45/49/44/823454944.db2.gz WZLOIZNDMXYUGQ-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM CN1CCc2cccc(-c3ccc(Cl)c([O-])c3)c2C1=O ZINC001243582672 823455050 /nfs/dbraw/zinc/45/50/50/823455050.db2.gz CKURHVSPGJSZSX-UHFFFAOYSA-N -1 1 287.746 3.341 20 0 CGADMM [O-]c1cc(-c2ccc(-n3ccnc3)nc2)ccc1Cl ZINC001243582507 823455088 /nfs/dbraw/zinc/45/50/88/823455088.db2.gz AAQUQXHUWDGYQR-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM COC(=O)c1nccc(-c2ccc(Cl)c([O-])c2)c1C ZINC001243583889 823455581 /nfs/dbraw/zinc/45/55/81/823455581.db2.gz MWXWBXKDVBWXDW-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Cc1nnc2ccc(-c3ccc(Cl)c([O-])c3)cn12 ZINC001243583874 823455752 /nfs/dbraw/zinc/45/57/52/823455752.db2.gz MRAHQPCHOLSSQF-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM COc1ccc(-c2ccc(C(F)(F)F)cc2[O-])nc1 ZINC001243604343 823463994 /nfs/dbraw/zinc/46/39/94/823463994.db2.gz DVNCQDYMYSVYRA-UHFFFAOYSA-N -1 1 269.222 3.482 20 0 CGADMM Nc1cccnc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243609998 823466360 /nfs/dbraw/zinc/46/63/60/823466360.db2.gz ZNFOVMUTCVPFSM-UHFFFAOYSA-N -1 1 254.211 3.055 20 0 CGADMM CCOc1ccc(-c2ccc(C(F)(F)F)cc2[O-])nn1 ZINC001243609127 823466408 /nfs/dbraw/zinc/46/64/08/823466408.db2.gz OEZHQRXXLSLMJC-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM COc1cc2c(cc1F)ncnc2-c1cc(F)ccc1[O-] ZINC001240693856 821249336 /nfs/dbraw/zinc/24/93/36/821249336.db2.gz JUTCGZCJSALHHL-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM CCOC(=O)c1cc(C)cc(-c2cc(F)ccc2[O-])n1 ZINC001240693321 821249696 /nfs/dbraw/zinc/24/96/96/821249696.db2.gz MZKLRPUYKYGCJB-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM Cc1nc(-c2ccccn2)cc(-c2cc(F)ccc2[O-])n1 ZINC001240695368 821250783 /nfs/dbraw/zinc/25/07/83/821250783.db2.gz IFSUYSCORCVNRU-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM Cc1nc(-c2ccncc2)cc(-c2cc(F)ccc2[O-])n1 ZINC001240695591 821252579 /nfs/dbraw/zinc/25/25/79/821252579.db2.gz NOJDHFOKQVDUDB-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM Cc1cc2cccnc2c(-c2cc(F)ccc2[O-])n1 ZINC001240696356 821252787 /nfs/dbraw/zinc/25/27/87/821252787.db2.gz NOADDFGEQUCAKS-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM COc1cc(-c2cc3nc[nH]c3c(C)c2)ccc1C(=O)[O-] ZINC001240742506 821294418 /nfs/dbraw/zinc/29/44/18/821294418.db2.gz HTVAYPBNEBXABG-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM CC(C)(C)Oc1ccnc(-c2ccc([O-])c(F)c2)n1 ZINC001240782362 821321896 /nfs/dbraw/zinc/32/18/96/821321896.db2.gz XJELQRJSTDMTQN-UHFFFAOYSA-N -1 1 262.284 3.166 20 0 CGADMM [O-]c1ccc(-c2nccc(-c3cccnc3F)n2)cc1F ZINC001240782317 821322015 /nfs/dbraw/zinc/32/20/15/821322015.db2.gz VQABLGFWUYBWAZ-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM COc1ccc2ncc(-c3ccc([O-])c(F)c3)nc2c1 ZINC001240782163 821322060 /nfs/dbraw/zinc/32/20/60/821322060.db2.gz SFHNGJJJBNSGGJ-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM C[C@@H]1CCc2nnc(-c3ccc([O-])c(F)c3)cc2C1 ZINC001240786109 821327987 /nfs/dbraw/zinc/32/79/87/821327987.db2.gz MDWIIIRUGYXFRT-SECBINFHSA-N -1 1 258.296 3.113 20 0 CGADMM Cc1cc2[nH]ccc2c(-c2ccc(C(=O)[O-])s2)n1 ZINC001240842228 821363662 /nfs/dbraw/zinc/36/36/62/821363662.db2.gz CSJXJVUTIDPDHD-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM CCCCc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001241053224 821525348 /nfs/dbraw/zinc/52/53/48/821525348.db2.gz PMEMKHCCOOAVGO-UHFFFAOYSA-N -1 1 279.347 3.271 20 0 CGADMM CCCCc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001241053224 821525354 /nfs/dbraw/zinc/52/53/54/821525354.db2.gz PMEMKHCCOOAVGO-UHFFFAOYSA-N -1 1 279.347 3.271 20 0 CGADMM Cc1nc(C)c(C)c(-c2c(F)cc([O-])cc2F)n1 ZINC001241118348 821573657 /nfs/dbraw/zinc/57/36/57/821573657.db2.gz CUVWHZKRZDEYKP-UHFFFAOYSA-N -1 1 250.248 3.053 20 0 CGADMM Cc1[nH]c2c(ncnc2-c2c(F)cc([O-])cc2F)c1C ZINC001241120242 821576139 /nfs/dbraw/zinc/57/61/39/821576139.db2.gz NULPGOVCPSVTAB-UHFFFAOYSA-N -1 1 275.258 3.226 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3cnncc3c2)c(F)c1 ZINC001241121726 821579059 /nfs/dbraw/zinc/57/90/59/821579059.db2.gz DGHRYMUKFGSRHE-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Cc1cc(-c2ccc(C(=O)[O-])c(F)c2)cc2nc[nH]c21 ZINC001241185905 821622919 /nfs/dbraw/zinc/62/29/19/821622919.db2.gz UQNCSLFTCQQOPC-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM Cc1cc(-c2ccc(F)c(C(=O)[O-])c2)cc2nc[nH]c21 ZINC001241245795 821667388 /nfs/dbraw/zinc/66/73/88/821667388.db2.gz YZCTYIIGWFEBCR-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM [O-]c1ccc(F)c(-c2cncc(C(F)(F)F)n2)c1F ZINC001241289172 821706721 /nfs/dbraw/zinc/70/67/21/821706721.db2.gz MOYFVSUQLIZZMP-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM Cc1nc2ccoc2c(-c2c(F)ccc([O-])c2F)n1 ZINC001241291237 821708328 /nfs/dbraw/zinc/70/83/28/821708328.db2.gz ULIOJINUXVZCPA-UHFFFAOYSA-N -1 1 262.215 3.182 20 0 CGADMM CN(C)Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)nc1 ZINC001241347968 821752030 /nfs/dbraw/zinc/75/20/30/821752030.db2.gz URCPXXMEWJVAPJ-UHFFFAOYSA-N -1 1 290.750 3.162 20 0 CGADMM COc1cnc(C)nc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242132646 822889844 /nfs/dbraw/zinc/88/98/44/822889844.db2.gz XIBXLCXFHKQFKG-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM [O-]c1ccc(-c2ccc3nc[nH]c3n2)cc1C(F)(F)F ZINC001242148398 822894895 /nfs/dbraw/zinc/89/48/95/822894895.db2.gz WWTDWPQXZZEICI-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM [O-]c1ccc(-c2ccc3ncnn3c2F)cc1C(F)(F)F ZINC001242168128 822900867 /nfs/dbraw/zinc/90/08/67/822900867.db2.gz JQEHBMUYWLGCLF-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM COC(=O)c1ccc(OC)c(-c2ccc(F)cc2[O-])c1F ZINC001242217060 822914480 /nfs/dbraw/zinc/91/44/80/822914480.db2.gz KHVNZAPFPQECGG-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM O=c1c(-c2ccc(F)cc2[O-])cccn1-c1ccc(F)cc1 ZINC001242218826 822915598 /nfs/dbraw/zinc/91/55/98/822915598.db2.gz BJVBFRVXIKXACT-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM COc1cc(OC)c(-c2cccc(F)c2[O-])c(OC)c1 ZINC001242350221 822960573 /nfs/dbraw/zinc/96/05/73/822960573.db2.gz DHPPRCDQMLAEEU-UHFFFAOYSA-N -1 1 278.279 3.224 20 0 CGADMM CSc1ncc(-c2cccc(F)c2[O-])c(C)n1 ZINC001242354361 822963054 /nfs/dbraw/zinc/96/30/54/822963054.db2.gz ZJKGPPYKARBZBB-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM O=C1NCc2cc(-c3cccc(Cl)c3[O-])cc(F)c21 ZINC001242367082 822969448 /nfs/dbraw/zinc/96/94/48/822969448.db2.gz IIPCATCQMNWPRL-UHFFFAOYSA-N -1 1 277.682 3.095 20 0 CGADMM CC(C)CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000211354444 927933912 /nfs/dbraw/zinc/93/39/12/927933912.db2.gz RQWPJJDIKFQNBV-UKTHLTGXSA-N -1 1 291.372 3.435 20 0 CGADMM CC(C)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000005643753 928400163 /nfs/dbraw/zinc/40/01/63/928400163.db2.gz AWQAFIFKVALWBV-UHFFFAOYSA-N -1 1 260.362 3.185 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cc(C)cc(C)n2)c1 ZINC001545942407 937338812 /nfs/dbraw/zinc/33/88/12/937338812.db2.gz UJOQMTXJGUWHJB-UHFFFAOYSA-N -1 1 288.372 3.378 20 0 CGADMM CCN(C(=O)c1ccc(F)c([O-])c1)c1ccccc1OC ZINC001442375528 937341761 /nfs/dbraw/zinc/34/17/61/937341761.db2.gz IVZKDAQWDJWLQO-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM CC[C@H](C)[C@H](C)N(C(=O)C(=O)c1ccc([O-])cc1)C1CC1 ZINC001443711342 937348644 /nfs/dbraw/zinc/34/86/44/937348644.db2.gz MAQAJJWTKYPJIC-RYUDHWBXSA-N -1 1 289.375 3.001 20 0 CGADMM Cc1cnc(C(=O)NCC[C@H]2CCCC[C@@H]2C)c([O-])c1 ZINC001444057800 937349969 /nfs/dbraw/zinc/34/99/69/937349969.db2.gz MDSIHVDJEKAKME-QWHCGFSZSA-N -1 1 276.380 3.042 20 0 CGADMM CC(C)CCCCNC(=O)c1c(F)ccc([O-])c1F ZINC001444488868 937352609 /nfs/dbraw/zinc/35/26/09/937352609.db2.gz XCZRZZQYYNNFMV-UHFFFAOYSA-N -1 1 271.307 3.227 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NCc2c(C)cccc2C)c1 ZINC001446578000 937364073 /nfs/dbraw/zinc/36/40/73/937364073.db2.gz FKDBCSQNBCOBHE-UHFFFAOYSA-N -1 1 297.354 3.060 20 0 CGADMM CC(C)(C)[C@@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001446720101 937364188 /nfs/dbraw/zinc/36/41/88/937364188.db2.gz ZVEYQGVOHQGUDW-GFCCVEGCSA-N -1 1 295.810 3.483 20 0 CGADMM C[C@H](NC(=O)c1cccc([O-])c1F)c1cccs1 ZINC001447758461 937371285 /nfs/dbraw/zinc/37/12/85/937371285.db2.gz HGIJHSFZJIMZGW-QMMMGPOBSA-N -1 1 265.309 3.084 20 0 CGADMM O=C(Nc1c(O)cccc1Cl)c1cc(F)ccc1[O-] ZINC001450259282 937384796 /nfs/dbraw/zinc/38/47/96/937384796.db2.gz DOCNATDMCHLLQI-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM Cc1cnc(C(=O)N[C@]2(c3ccccc3)CC2(C)C)c([O-])c1 ZINC001454059853 937406626 /nfs/dbraw/zinc/40/66/26/937406626.db2.gz LLGSTSGHXFQNCV-SFHVURJKSA-N -1 1 296.370 3.151 20 0 CGADMM COc1cc(C)ccc1C(=O)Nc1cccc(F)c1[O-] ZINC001454751945 937412227 /nfs/dbraw/zinc/41/22/27/937412227.db2.gz BGCXZJPBEJZXIW-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM Cc1ccc(F)cc1C(=O)Nc1cccc(F)c1[O-] ZINC001454760573 937412284 /nfs/dbraw/zinc/41/22/84/937412284.db2.gz YDRZONWEKSTYER-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@H]1c2sccc2CCN1C(=O)c1ccc(F)c([O-])c1 ZINC001455292504 937416612 /nfs/dbraw/zinc/41/66/12/937416612.db2.gz ISEGRLCHZMDMBA-VIFPVBQESA-N -1 1 291.347 3.352 20 0 CGADMM CC(C)OC1(CNC(=O)c2ccc(Cl)cc2[O-])CCC1 ZINC001455468958 937417968 /nfs/dbraw/zinc/41/79/68/937417968.db2.gz BMTQBKYVAHAAOX-UHFFFAOYSA-N -1 1 297.782 3.123 20 0 CGADMM O=C(NC1CC(Cl)(Cl)C1)c1c([O-])cccc1Cl ZINC001456235461 937428450 /nfs/dbraw/zinc/42/84/50/937428450.db2.gz ZYIHZRDCGZIGIR-UHFFFAOYSA-N -1 1 294.565 3.112 20 0 CGADMM CCc1ccc2c(c1)CCN2C(=O)c1ccc(F)c([O-])c1 ZINC001457073918 937437891 /nfs/dbraw/zinc/43/78/91/937437891.db2.gz WKWVZALFHXEJGR-UHFFFAOYSA-N -1 1 285.318 3.297 20 0 CGADMM CC[C@@H](C)[C@@H](C)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229216727 932116734 /nfs/dbraw/zinc/11/67/34/932116734.db2.gz UFBLGWYZFLXKBA-NXEZZACHSA-N -1 1 292.331 3.321 20 0 CGADMM CC[C@H](COC)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231045023 932664806 /nfs/dbraw/zinc/66/48/06/932664806.db2.gz RLZWQHKPCWXXLF-ZCFIWIBFSA-N -1 1 290.150 3.069 20 0 CGADMM CC(C)c1ccc2c(c1)CCN(C(=O)c1ncccc1[O-])C2 ZINC001305963751 932871976 /nfs/dbraw/zinc/87/19/76/932871976.db2.gz NQAUAELVEBRMKK-UHFFFAOYSA-N -1 1 296.370 3.109 20 0 CGADMM C[C@H](CC1CCC1)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001313237569 933436542 /nfs/dbraw/zinc/43/65/42/933436542.db2.gz ZRMRWQLOCQVGAR-SNVBAGLBSA-N -1 1 296.798 3.424 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NCC2CCC(C)CC2)c1 ZINC001464470056 937691372 /nfs/dbraw/zinc/69/13/72/937691372.db2.gz LRAJXFRHDSCLRU-UHFFFAOYSA-N -1 1 289.375 3.069 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC001468653718 937730266 /nfs/dbraw/zinc/73/02/66/937730266.db2.gz VWBIRKOZODDQIV-UHFFFAOYSA-N -1 1 299.326 3.164 20 0 CGADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)n1cccc1 ZINC001319950797 933965897 /nfs/dbraw/zinc/96/58/97/933965897.db2.gz YXIFSZCBYWSUHP-SECBINFHSA-N -1 1 264.712 3.047 20 0 CGADMM C[C@@H](C(=O)[N-]OCCC(F)(F)F)c1ccc(F)c(F)c1 ZINC001320469811 934050621 /nfs/dbraw/zinc/05/06/21/934050621.db2.gz PBTHYIOHUIAYIB-SSDOTTSWSA-N -1 1 297.223 3.069 20 0 CGADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001469159112 937735851 /nfs/dbraw/zinc/73/58/51/937735851.db2.gz AIUKUZOFLSSRHT-HTQZYQBOSA-N -1 1 257.280 3.291 20 0 CGADMM O=C(CCC1CC1)Nc1ccc(Br)c([O-])c1 ZINC001321275853 934172013 /nfs/dbraw/zinc/17/20/13/934172013.db2.gz DYMLOBXGSPDVDX-UHFFFAOYSA-N -1 1 284.153 3.283 20 0 CGADMM C[C@H]1N(C(=O)c2ccc([O-])cn2)c2ccccc2C1(C)C ZINC001470123221 937748596 /nfs/dbraw/zinc/74/85/96/937748596.db2.gz WIYXNGSBOMHCHU-LLVKDONJSA-N -1 1 282.343 3.114 20 0 CGADMM CCC[C@@H]1CCC[C@H]1C(=O)[N-]Oc1ccccc1F ZINC001471718172 937768793 /nfs/dbraw/zinc/76/87/93/937768793.db2.gz GMUHHUDIGCIPKH-VXGBXAGGSA-N -1 1 265.328 3.452 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001324290847 934481850 /nfs/dbraw/zinc/48/18/50/934481850.db2.gz WXOOITIBEDQWAX-NXEZZACHSA-N -1 1 271.307 3.162 20 0 CGADMM CN(Cc1csc(C(C)(C)C)n1)C(C)(C)CC(=O)[O-] ZINC001334794086 936115529 /nfs/dbraw/zinc/11/55/29/936115529.db2.gz PMPFOWYKMUVRMU-UHFFFAOYSA-N -1 1 284.425 3.126 20 0 CGADMM Cc1cccc(C2(NC(=O)c3ccc([O-])cn3)CCCC2)c1 ZINC001546343791 938000884 /nfs/dbraw/zinc/00/08/84/938000884.db2.gz GVRJHBSKSNRWNW-UHFFFAOYSA-N -1 1 296.370 3.295 20 0 CGADMM Cc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1F ZINC001538612568 938119462 /nfs/dbraw/zinc/11/94/62/938119462.db2.gz SHCDZOCZIOYVOB-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CCCN(CC(C)C)C(=O)c1c(F)ccc([O-])c1F ZINC001539762561 938126149 /nfs/dbraw/zinc/12/61/49/938126149.db2.gz KYVCVXHSOVEERU-UHFFFAOYSA-N -1 1 271.307 3.179 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)CC2CCCCC2)c1 ZINC001540765944 938133758 /nfs/dbraw/zinc/13/37/58/938133758.db2.gz YRVVEJMKLHBXHV-UHFFFAOYSA-N -1 1 289.375 3.165 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c([O-])c1 ZINC001543128710 938137839 /nfs/dbraw/zinc/13/78/39/938137839.db2.gz YKTHLUPPFKWWHN-CHWSQXEVSA-N -1 1 276.380 3.040 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(F)c([O-])c2)[C@H]1c1ccccc1 ZINC001544814760 938147195 /nfs/dbraw/zinc/14/71/95/938147195.db2.gz PVJVAFOZRZGFRF-BDJLRTHQSA-N -1 1 285.318 3.365 20 0 CGADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1F ZINC001545336377 938149376 /nfs/dbraw/zinc/14/93/76/938149376.db2.gz XEXPLUKQRKSBNX-WCQYABFASA-N -1 1 297.395 3.325 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H]1C1CCCCC1 ZINC001551760189 938185806 /nfs/dbraw/zinc/18/58/06/938185806.db2.gz QJDVZOIMBGEQAN-CQSZACIVSA-N -1 1 277.339 3.326 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001552228979 938190489 /nfs/dbraw/zinc/19/04/89/938190489.db2.gz PPQKZMRUAXHNHB-KGLIPLIRSA-N -1 1 299.374 3.336 20 0 CGADMM C[C@H]1C[C@H](CCNC(=O)c2ccc([O-])cn2)CC(C)(C)C1 ZINC001556428097 938203773 /nfs/dbraw/zinc/20/37/73/938203773.db2.gz BQPVHLXAAJWVBB-STQMWFEESA-N -1 1 290.407 3.370 20 0 CGADMM O=C(CCNc1ccccc1)Nc1cc(F)cc(F)c1[O-] ZINC001557086178 938207824 /nfs/dbraw/zinc/20/78/24/938207824.db2.gz JYSKUUJMWOGICG-UHFFFAOYSA-N -1 1 292.285 3.111 20 0 CGADMM Cc1cc(C(=O)Nc2cc(F)cc(F)c2[O-])cc(Cl)n1 ZINC001557087196 938207876 /nfs/dbraw/zinc/20/78/76/938207876.db2.gz YCYDKILRQKDXOW-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM CC1(C)C[C@@]1(C)CNC(=O)c1ncc2ccccc2c1[O-] ZINC001558145054 938213850 /nfs/dbraw/zinc/21/38/50/938213850.db2.gz ORJYDBQIFOTTPN-KRWDZBQOSA-N -1 1 284.359 3.106 20 0 CGADMM O=C(Nc1cccc(-c2ccon2)c1)c1ccc(F)c([O-])c1 ZINC001558512825 938215967 /nfs/dbraw/zinc/21/59/67/938215967.db2.gz JNSZLWBJXQBWCJ-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM CCc1c(C(=O)Nc2cc(F)c([O-])cc2Cl)ccn1C ZINC001558644548 938216828 /nfs/dbraw/zinc/21/68/28/938216828.db2.gz OWRFPCHFQKKGRY-UHFFFAOYSA-N -1 1 296.729 3.338 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1Cc1ccccc1)c1c([O-])cccc1F ZINC001558808094 938217857 /nfs/dbraw/zinc/21/78/57/938217857.db2.gz CRGZZNRYXDTTRV-KGLIPLIRSA-N -1 1 299.345 3.140 20 0 CGADMM Cc1cnc(SC/C=C\c2ccccc2)[n-]c1=O ZINC001559415698 938226398 /nfs/dbraw/zinc/22/63/98/938226398.db2.gz DWRKABXAYRPEGB-YVMONPNESA-N -1 1 258.346 3.296 20 0 CGADMM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(F)c([O-])c1 ZINC001565812964 960831109 /nfs/dbraw/zinc/83/11/09/960831109.db2.gz JHRQRLKAEPAUJA-CQSZACIVSA-N -1 1 288.322 3.150 20 0 CGADMM O=C(Nc1cncc(C(F)F)c1)c1cccc([O-])c1F ZINC001587825874 962241729 /nfs/dbraw/zinc/24/17/29/962241729.db2.gz AEUKELAWIPETRW-UHFFFAOYSA-N -1 1 282.221 3.116 20 0 CGADMM O=C([O-])C1(C(=O)Nc2cccc(Cl)c2O)CCCCC1 ZINC001574640790 962310510 /nfs/dbraw/zinc/31/05/10/962310510.db2.gz JOFXBIXNVYVWFN-UHFFFAOYSA-N -1 1 297.738 3.019 20 0 CGADMM O=C(Cc1ccc(O)c(Cl)c1)Nc1cccc(F)c1[O-] ZINC001587389927 963189936 /nfs/dbraw/zinc/18/99/36/963189936.db2.gz VKQSBVDJKDYPFV-UHFFFAOYSA-N -1 1 295.697 3.072 20 0 CGADMM Cc1cc(CN2CCc3c(cccc3C(=O)[O-])C2)cs1 ZINC000312258040 963548835 /nfs/dbraw/zinc/54/88/35/963548835.db2.gz GPUCFVTXLFJDDO-UHFFFAOYSA-N -1 1 287.384 3.313 20 0 CGADMM CC(C)CCCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589593803 964002027 /nfs/dbraw/zinc/00/20/27/964002027.db2.gz QATIOLBFNBFMCQ-UHFFFAOYSA-N -1 1 294.790 3.153 20 0 CGADMM CC(C)CCCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589593803 964002034 /nfs/dbraw/zinc/00/20/34/964002034.db2.gz QATIOLBFNBFMCQ-UHFFFAOYSA-N -1 1 294.790 3.153 20 0 CGADMM Cc1cc([C@H](C)NCc2ccc(C(=O)[O-])cc2)oc1C ZINC001605145420 972821884 /nfs/dbraw/zinc/82/18/84/972821884.db2.gz GRHWVVWVKFBSKK-NSHDSACASA-N -1 1 273.332 3.445 20 0 CGADMM CCc1cccc(F)c1CNCc1cccc(C(=O)[O-])c1 ZINC001603975054 974463356 /nfs/dbraw/zinc/46/33/56/974463356.db2.gz BMFMQUWFAJWSAD-UHFFFAOYSA-N -1 1 287.334 3.376 20 0 CGADMM CC/C=C/CN[C@H](C(=O)[O-])c1ccccc1Br ZINC001595521358 981340520 /nfs/dbraw/zinc/34/05/20/981340520.db2.gz ULKQVPGEWZWTPB-UXONFWTHSA-N -1 1 298.180 3.131 20 0 CGADMM CCc1[nH]c(CN2CCC[C@@H]2c2ccncc2)cc1C(=O)[O-] ZINC001597386868 987609351 /nfs/dbraw/zinc/60/93/51/987609351.db2.gz PDKWHDXENSZRQQ-MRXNPFEDSA-N -1 1 299.374 3.007 20 0 CGADMM C[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1cccs1 ZINC001599841722 988850156 /nfs/dbraw/zinc/85/01/56/988850156.db2.gz GSXAWUVPVOVKQQ-JYESYGNLSA-N -1 1 277.345 3.290 20 0 CGADMM C[C@H](NCc1oncc1C(=O)[O-])c1cccc(C2CC2)c1 ZINC001593318592 994836484 /nfs/dbraw/zinc/83/64/84/994836484.db2.gz IQJDDHJZARQPCT-JTQLQIEISA-N -1 1 286.331 3.101 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC2(CCCC2)C1 ZINC001593732052 996307407 /nfs/dbraw/zinc/30/74/07/996307407.db2.gz MRPXCWYCSPSYMO-SNVBAGLBSA-N -1 1 280.393 3.168 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC(C)(C)C[C@@H]1C ZINC001594217299 998837602 /nfs/dbraw/zinc/83/76/02/998837602.db2.gz QSQTZQGCQFAQGT-IUCAKERBSA-N -1 1 268.382 3.023 20 0 CGADMM CC(C)(C)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000622327280 349672933 /nfs/dbraw/zinc/67/29/33/349672933.db2.gz XNIYANFALAAZMZ-UHFFFAOYSA-N -1 1 275.270 3.187 20 0 CGADMM CC1(CNC(=O)c2cc(F)ccc2[O-])Cc2ccccc2C1 ZINC000622478529 349682238 /nfs/dbraw/zinc/68/22/38/349682238.db2.gz ICYVTKJLYUQCEL-UHFFFAOYSA-N -1 1 299.345 3.066 20 0 CGADMM CC[C@@H](CC(F)(F)F)NC(=O)c1c(F)ccc([O-])c1F ZINC000622511525 349683870 /nfs/dbraw/zinc/68/38/70/349683870.db2.gz FMVVRZAEZMFMTP-LURJTMIESA-N -1 1 297.223 3.131 20 0 CGADMM CCc1ccc(CN[C@H](CCC(C)(C)C)C(=O)[O-])o1 ZINC000426756853 529657458 /nfs/dbraw/zinc/65/74/58/529657458.db2.gz MKJIQLCUSSCYEH-CYBMUJFWSA-N -1 1 267.369 3.211 20 0 CGADMM CCc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1CC ZINC000436992365 529674561 /nfs/dbraw/zinc/67/45/61/529674561.db2.gz VAJPCESKZXUNAF-UHFFFAOYSA-N -1 1 297.354 3.338 20 0 CGADMM CSCC1(Cc2nc(-c3ccc([O-])cc3F)no2)CC1 ZINC000593298026 347060116 /nfs/dbraw/zinc/06/01/16/347060116.db2.gz XEWPBYQJHGIABK-UHFFFAOYSA-N -1 1 294.351 3.267 20 0 CGADMM CCCn1c2ccccc2nc1NC(=O)c1ccccc1[O-] ZINC000021597592 344893018 /nfs/dbraw/zinc/89/30/18/344893018.db2.gz WRERDJFMLDILNG-UHFFFAOYSA-N -1 1 295.342 3.404 20 0 CGADMM CC1(C)Oc2ccc(NC(=O)c3ccccc3[O-])cc2O1 ZINC000047285550 345050783 /nfs/dbraw/zinc/05/07/83/345050783.db2.gz YUXWDDXMXNFUCD-UHFFFAOYSA-N -1 1 285.299 3.152 20 0 CGADMM O=c1nc(-c2ccco2)[n-]c2sc3ccccc3c21 ZINC000077251935 345564597 /nfs/dbraw/zinc/56/45/97/345564597.db2.gz RWGNTFIVYNLXKN-UHFFFAOYSA-N -1 1 268.297 3.398 20 0 CGADMM COC[C@H]([N-]c1nc(C(C)C)no1)c1ccc(F)c(F)c1 ZINC000091026530 345801093 /nfs/dbraw/zinc/80/10/93/345801093.db2.gz MZKSRJPSBUFGAI-LBPRGKRZSA-N -1 1 297.305 3.271 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2ccsc2)cc(C)c1F ZINC000174735237 232305708 /nfs/dbraw/zinc/30/57/08/232305708.db2.gz NHLRFWBYAKMPAL-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM O=C([O-])C[C@@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000124457683 346012935 /nfs/dbraw/zinc/01/29/35/346012935.db2.gz UPWAICKOYGJRHP-JTQLQIEISA-N -1 1 285.746 3.166 20 0 CGADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000143407870 346114060 /nfs/dbraw/zinc/11/40/60/346114060.db2.gz HFULEQWKBPRQAD-UHFFFAOYSA-N -1 1 273.357 3.439 20 0 CGADMM CCc1ccc([C@H](NCc2ccccc2F)C(=O)[O-])cc1 ZINC000211653511 346286396 /nfs/dbraw/zinc/28/63/96/346286396.db2.gz UMSFGOMTYXBVMV-INIZCTEOSA-N -1 1 287.334 3.304 20 0 CGADMM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)C[C@H](C)S1 ZINC000394456005 346576809 /nfs/dbraw/zinc/57/68/09/346576809.db2.gz JCFJEKBQBLULHM-UWVGGRQHSA-N -1 1 299.823 3.364 20 0 CGADMM COc1cnccc1[C@@H](C)NCc1cccc([O-])c1Cl ZINC000339363243 215124150 /nfs/dbraw/zinc/12/41/50/215124150.db2.gz BBDFCUNOFXSZNB-SNVBAGLBSA-N -1 1 292.766 3.300 20 0 CGADMM CCc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000605437045 348155381 /nfs/dbraw/zinc/15/53/81/348155381.db2.gz OBNWWTKPUAZPQP-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM COc1ccc(NC(=O)c2ccc3ccccc3c2[O-])nc1 ZINC000608474006 348310792 /nfs/dbraw/zinc/31/07/92/348310792.db2.gz OEDDWMKJCPMKAS-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM O=C(NCCCC(F)(F)F)c1ncc2ccccc2c1[O-] ZINC000611703016 348468926 /nfs/dbraw/zinc/46/89/26/348468926.db2.gz IYAVUHBGYFIOAA-UHFFFAOYSA-N -1 1 298.264 3.013 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000612759238 348543994 /nfs/dbraw/zinc/54/39/94/348543994.db2.gz GSKQXCQTSBOMTA-BRPSZJMVSA-N -1 1 251.713 3.030 20 0 CGADMM Cc1ccn([C@H](C)CC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000612760062 348544450 /nfs/dbraw/zinc/54/44/50/348544450.db2.gz QQZOLYXCNWGEKE-SNVBAGLBSA-N -1 1 293.754 3.140 20 0 CGADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ncc2ccccc2c1[O-] ZINC000613237233 348578505 /nfs/dbraw/zinc/57/85/05/348578505.db2.gz XWLHHJNEGPBMJL-YPMHNXCESA-N -1 1 284.359 3.344 20 0 CGADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc([O-])c(F)c2)C1 ZINC000613510494 348614078 /nfs/dbraw/zinc/61/40/78/348614078.db2.gz PLPWCWFBHVWPHI-NWDGAFQWSA-N -1 1 297.395 3.278 20 0 CGADMM CC1=C(C)CN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000614346522 348669187 /nfs/dbraw/zinc/66/91/87/348669187.db2.gz VDBOJAXWYSRVEA-UHFFFAOYSA-N -1 1 282.343 3.123 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000615221260 348724320 /nfs/dbraw/zinc/72/43/20/348724320.db2.gz KAOWVRXKQWGFIU-VIFPVBQESA-N -1 1 298.346 3.037 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H]1C[C@H](C)c2c1cccc2C ZINC000615221759 348724502 /nfs/dbraw/zinc/72/45/02/348724502.db2.gz OAIXBLQSTGZWDB-CMPLNLGQSA-N -1 1 299.374 3.352 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000615226370 348725262 /nfs/dbraw/zinc/72/52/62/348725262.db2.gz KBWVTBLSWSUBTJ-KBPBESRZSA-N -1 1 299.374 3.021 20 0 CGADMM CN(C(=O)c1ncc2ccccc2c1[O-])C1CC(C)(C)C1 ZINC000616236013 348801588 /nfs/dbraw/zinc/80/15/88/348801588.db2.gz VWUWMTNGRSMVRC-UHFFFAOYSA-N -1 1 284.359 3.201 20 0 CGADMM CC[C@@H](C)N(CC)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000616983590 348892271 /nfs/dbraw/zinc/89/22/71/348892271.db2.gz QAQJJDDATHRMHC-SECBINFHSA-N -1 1 285.771 3.315 20 0 CGADMM Cc1scc(C(=O)Nc2ccc(F)cc2[O-])c1C ZINC000358695081 233179414 /nfs/dbraw/zinc/17/94/14/233179414.db2.gz GPEBBDQNCCECEL-UHFFFAOYSA-N -1 1 265.309 3.462 20 0 CGADMM CC(C)(F)CCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000618411443 349080230 /nfs/dbraw/zinc/08/02/30/349080230.db2.gz FOOAPIKIQKPYDF-UHFFFAOYSA-N -1 1 293.260 3.279 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](C2CCC2)C1 ZINC000620207130 349338614 /nfs/dbraw/zinc/33/86/14/349338614.db2.gz XXZWNYQHOSXWQE-GFCCVEGCSA-N -1 1 277.339 3.184 20 0 CGADMM CCCCC[C@H]1CCCCN1C(=O)c1cncc([O-])c1 ZINC000620566240 349384789 /nfs/dbraw/zinc/38/47/89/349384789.db2.gz GXXNPHHVYCZCLF-AWEZNQCLSA-N -1 1 276.380 3.362 20 0 CGADMM CCO[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CC1 ZINC000624577179 350066653 /nfs/dbraw/zinc/06/66/53/350066653.db2.gz OCOIIPZUJJSPDH-GFCCVEGCSA-N -1 1 278.283 3.069 20 0 CGADMM CCCC1(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)CC1 ZINC000352150614 219339030 /nfs/dbraw/zinc/33/90/30/219339030.db2.gz ULFBQUODQXJROS-UHFFFAOYSA-N -1 1 289.404 3.387 20 0 CGADMM Cc1[nH]nc(C(=O)Nc2ccc(Cl)cc2C(C)C)c1[O-] ZINC000628829629 350610089 /nfs/dbraw/zinc/61/00/89/350610089.db2.gz KQUWSIBDHXKQDK-UHFFFAOYSA-N -1 1 293.754 3.453 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H]2C[C@H]3C=C[C@@H]2C3)n1 ZINC000629176572 350663226 /nfs/dbraw/zinc/66/32/26/350663226.db2.gz YWZOUAYXFGYKAH-AXFHLTTASA-N -1 1 262.378 3.049 20 0 CGADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CCCCC1 ZINC000629372168 350681340 /nfs/dbraw/zinc/68/13/40/350681340.db2.gz UHWFWQDGQJRHSJ-UHFFFAOYSA-N -1 1 285.347 3.097 20 0 CGADMM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000629376443 350683636 /nfs/dbraw/zinc/68/36/36/350683636.db2.gz WHGHSWBOXOUBGM-OLZOCXBDSA-N -1 1 299.374 3.343 20 0 CGADMM C/C=C/C[C@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000629872932 350781556 /nfs/dbraw/zinc/78/15/56/350781556.db2.gz NXGAHXLLKSLWIW-JDGPPOGSSA-N -1 1 277.339 3.350 20 0 CGADMM Cc1nc(SCCOC2CCC2)[n-]c(=O)c1C1CC1 ZINC000631023121 350926881 /nfs/dbraw/zinc/92/68/81/350926881.db2.gz IJOYYWVBYNQOBZ-UHFFFAOYSA-N -1 1 280.393 3.029 20 0 CGADMM CO[C@@H]1CCC[C@@H]1Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024527 350927950 /nfs/dbraw/zinc/92/79/50/350927950.db2.gz VIEJJYRYTRBAMD-MNOVXSKESA-N -1 1 280.393 3.028 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC(C2CC2)CC1 ZINC000633176181 351251995 /nfs/dbraw/zinc/25/19/95/351251995.db2.gz SSIMDJKNZTZAED-UHFFFAOYSA-N -1 1 293.794 3.237 20 0 CGADMM COc1cc(C(=O)N[C@H](C)CC2CCC2)cc(Cl)c1[O-] ZINC000634366258 351479245 /nfs/dbraw/zinc/47/92/45/351479245.db2.gz IBACAMMCCQRTFD-SECBINFHSA-N -1 1 297.782 3.363 20 0 CGADMM CCc1c(C(C)C)[n-]n(-c2cccc(OC)c2)c1=O ZINC000634586008 351525101 /nfs/dbraw/zinc/52/51/01/351525101.db2.gz YVBHTOKTHRHCAQ-CYBMUJFWSA-N -1 1 260.337 3.080 20 0 CGADMM CCCc1[n-]n(-c2cccc(OC)c2)c(=O)c1CC ZINC000634586033 351525117 /nfs/dbraw/zinc/52/51/17/351525117.db2.gz ZTCPSVYGOHPYAL-ZDUSSCGKSA-N -1 1 260.337 3.224 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccccc3Br)c(=O)c21 ZINC000634588313 351526685 /nfs/dbraw/zinc/52/66/85/351526685.db2.gz PBWFYOBMAVBXPD-PELKAZGASA-N -1 1 293.164 3.198 20 0 CGADMM CCc1c(=O)n(CCc2ccccc2)[n-]c1C(C)C ZINC000634593218 351529554 /nfs/dbraw/zinc/52/95/54/351529554.db2.gz ILIMIIMPHOSDTG-AWEZNQCLSA-N -1 1 258.365 3.110 20 0 CGADMM CCc1c(C(C)C)[n-]n(Cc2ccc(OC)cc2)c1=O ZINC000634597743 351534590 /nfs/dbraw/zinc/53/45/90/351534590.db2.gz STTAUPQOFGJLJM-CQSZACIVSA-N -1 1 274.364 3.076 20 0 CGADMM C[C@H](c1ccccc1)n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634599486 351535760 /nfs/dbraw/zinc/53/57/60/351535760.db2.gz JNQAHHSQIHNTOD-YRGRVCCFSA-N -1 1 256.349 3.382 20 0 CGADMM CCCc1c(C)[n-]n(Cc2ccc(F)cc2F)c1=O ZINC000634601150 351536865 /nfs/dbraw/zinc/53/68/65/351536865.db2.gz DOTDHGGPULQQQR-LBPRGKRZSA-N -1 1 266.291 3.099 20 0 CGADMM CCCc1[n-]n(-c2ccncc2Cl)c(=O)c1CC ZINC000634608741 351541237 /nfs/dbraw/zinc/54/12/37/351541237.db2.gz LHNWNUXTXCAJBQ-SECBINFHSA-N -1 1 265.744 3.264 20 0 CGADMM CCCc1[nH]n(-c2ccc(C(=O)[O-])cc2F)c(=O)c1CC ZINC000634618875 351546589 /nfs/dbraw/zinc/54/65/89/351546589.db2.gz HBLVGDVDSKXQKT-JTQLQIEISA-N -1 1 292.310 3.053 20 0 CGADMM CC1(C)C[C@@H](n2[n-]c3c(c2=O)CCCCCC3)CCO1 ZINC000634621405 351548220 /nfs/dbraw/zinc/54/82/20/351548220.db2.gz GUYMNLCAHSRITG-STQMWFEESA-N -1 1 278.396 3.113 20 0 CGADMM CCCc1[n-]n([C@H](C)c2ccncc2)c(=O)c1CC ZINC000634626502 351550204 /nfs/dbraw/zinc/55/02/04/351550204.db2.gz GHRJCWVAGJPHRG-DGCLKSJQSA-N -1 1 259.353 3.167 20 0 CGADMM CCc1c(C)[n-]n([C@@H]2CCc3c2cccc3F)c1=O ZINC000634632596 351553786 /nfs/dbraw/zinc/55/37/86/351553786.db2.gz VFHPDZSUMNCJHO-QMTHXVAHSA-N -1 1 260.312 3.057 20 0 CGADMM CC(C)(C)c1ccc(CCNC(=O)c2cncc([O-])c2)cc1 ZINC000339851771 215366152 /nfs/dbraw/zinc/36/61/52/215366152.db2.gz XDKJDCWOFMNOED-UHFFFAOYSA-N -1 1 298.386 3.057 20 0 CGADMM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ncccc1[O-] ZINC000292545729 198328004 /nfs/dbraw/zinc/32/80/04/198328004.db2.gz DGXSYPQWTSPKOO-VNHYZAJKSA-N -1 1 296.370 3.194 20 0 CGADMM C[C@@H]1C[C@H](CNC(=O)c2ccc3ccccc3c2[O-])[C@@H](C)O1 ZINC000412638926 235196298 /nfs/dbraw/zinc/19/62/98/235196298.db2.gz JLNKARZQMNZOKA-YRGRVCCFSA-N -1 1 299.370 3.089 20 0 CGADMM C[C@@H]1C[C@@H](CNC(=O)c2cc3ccccc3cc2[O-])[C@H](C)O1 ZINC000412643935 235196909 /nfs/dbraw/zinc/19/69/09/235196909.db2.gz QAQGIMKHWAILIX-XUJVJEKNSA-N -1 1 299.370 3.089 20 0 CGADMM CCCCN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271889427 191392117 /nfs/dbraw/zinc/39/21/17/191392117.db2.gz SSAQFGLVJKUXKH-UHFFFAOYSA-N -1 1 275.270 3.283 20 0 CGADMM C[C@@H](N=c1ccc(N2CCC[C@H]2C)n[n-]1)c1ccccc1 ZINC000425230333 236221173 /nfs/dbraw/zinc/22/11/73/236221173.db2.gz LSQLUOLZNUZDRW-ZIAGYGMSSA-N -1 1 282.391 3.060 20 0 CGADMM O=C([O-])[C@@H](NCc1ccccc1F)c1cccc(Cl)c1 ZINC000426737814 236309969 /nfs/dbraw/zinc/30/99/69/236309969.db2.gz QLTGYDFGXRCRHD-AWEZNQCLSA-N -1 1 293.725 3.395 20 0 CGADMM CSC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000294766548 199173479 /nfs/dbraw/zinc/17/34/79/199173479.db2.gz XUCWJBYRUYGECK-JTQLQIEISA-N -1 1 299.823 3.261 20 0 CGADMM O=C(NCCOC1CCCCCC1)c1cc(F)ccc1[O-] ZINC000436534339 237123362 /nfs/dbraw/zinc/12/33/62/237123362.db2.gz HPJDCSHMVKGDDY-UHFFFAOYSA-N -1 1 295.354 3.001 20 0 CGADMM O=C(NCc1ccc(F)cn1)c1cc2ccccc2cc1[O-] ZINC000436596006 237142547 /nfs/dbraw/zinc/14/25/47/237142547.db2.gz KMLKWVZRGOXMKD-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM CCn1nc(C(C)C)cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000436814029 237186534 /nfs/dbraw/zinc/18/65/34/237186534.db2.gz QBABJQUCQVVQSL-UHFFFAOYSA-N -1 1 291.326 3.123 20 0 CGADMM CN(C(=O)c1cc2ccccc2cc1[O-])[C@H]1CC1(C)C ZINC000436727670 237171629 /nfs/dbraw/zinc/17/16/29/237171629.db2.gz BIZLSOMROGNFJM-HNNXBMFYSA-N -1 1 269.344 3.416 20 0 CGADMM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000016755064 304096926 /nfs/dbraw/zinc/09/69/26/304096926.db2.gz WGGYCJGRWJEFFU-GFCCVEGCSA-N -1 1 271.719 3.091 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1C1CCCC1 ZINC000181166103 189289547 /nfs/dbraw/zinc/28/95/47/189289547.db2.gz WXJKYHSVXNIOBG-OAHLLOKOSA-N -1 1 277.339 3.326 20 0 CGADMM CN(CC1(c2ccccc2)CC1)C(=O)c1c([O-])cccc1F ZINC000275411632 193027643 /nfs/dbraw/zinc/02/76/43/193027643.db2.gz GSPWIKOMCXVBJY-UHFFFAOYSA-N -1 1 299.345 3.335 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(SC)cc2)c([O-])c1 ZINC000012037898 368603784 /nfs/dbraw/zinc/60/37/84/368603784.db2.gz RNGMPOOTDSPUSA-UHFFFAOYSA-N -1 1 289.356 3.375 20 0 CGADMM C[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000016642160 368718193 /nfs/dbraw/zinc/71/81/93/368718193.db2.gz OLYMRMXXYYAJLM-LBPRGKRZSA-N -1 1 269.344 3.418 20 0 CGADMM O=C(NC1CCCC1)c1ccc2ccccc2c1[O-] ZINC000019837247 368769825 /nfs/dbraw/zinc/76/98/25/368769825.db2.gz TYXLTYBMHCGLSU-UHFFFAOYSA-N -1 1 255.317 3.218 20 0 CGADMM C[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000037912269 369125187 /nfs/dbraw/zinc/12/51/87/369125187.db2.gz QFTCAXAWOQNBRZ-LLVKDONJSA-N -1 1 255.317 3.170 20 0 CGADMM Cc1noc(-c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC000495307633 244373891 /nfs/dbraw/zinc/37/38/91/244373891.db2.gz QESJFKYIOLQQSW-UHFFFAOYSA-N -1 1 291.307 3.098 20 0 CGADMM C[C@@H]1CC[C@H](C)CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000072897123 369843620 /nfs/dbraw/zinc/84/36/20/369843620.db2.gz KCMIXBSQKZJUBK-VHSXEESVSA-N -1 1 277.393 3.017 20 0 CGADMM CCCc1cccc(CNCc2cc(C(=O)[O-])co2)c1 ZINC000276943406 193509400 /nfs/dbraw/zinc/50/94/00/193509400.db2.gz CUWIEZYGPHWRNO-UHFFFAOYSA-N -1 1 273.332 3.220 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCSC[C@@H]1C1CC1 ZINC000456176432 296172644 /nfs/dbraw/zinc/17/26/44/296172644.db2.gz IZUIKCHQOBSTFY-GFCCVEGCSA-N -1 1 297.807 3.013 20 0 CGADMM Cc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1F ZINC000147682816 371519438 /nfs/dbraw/zinc/51/94/38/371519438.db2.gz DCCNPZKWZHFFQE-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CCC1CCC(N(C)C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000287650365 371688833 /nfs/dbraw/zinc/68/88/33/371688833.db2.gz REALBDUGMCZTTN-UHFFFAOYSA-N -1 1 289.375 3.002 20 0 CGADMM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ncccc2[O-])c1 ZINC000153998528 371808912 /nfs/dbraw/zinc/80/89/12/371808912.db2.gz PWXNXYOVPNMJPU-OAHLLOKOSA-N -1 1 296.370 3.381 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC[C@]2(CC=CCC2)C1 ZINC000154895176 371886812 /nfs/dbraw/zinc/88/68/12/371886812.db2.gz MYGWSEZDBYKMDR-QGZVFWFLSA-N -1 1 289.350 3.494 20 0 CGADMM CCC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000291058734 372106004 /nfs/dbraw/zinc/10/60/04/372106004.db2.gz KTAIPCZIZNQXTH-UHFFFAOYSA-N -1 1 287.281 3.283 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])cc2F)[C@H](C)C1 ZINC000163568519 372478950 /nfs/dbraw/zinc/47/89/50/372478950.db2.gz DSKKRSNKOQJEBR-GPCCPHFNSA-N -1 1 265.328 3.086 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2cc(F)ccc2[O-])CC12CCC2 ZINC000293912892 372523609 /nfs/dbraw/zinc/52/36/09/372523609.db2.gz SAJGPNXZYXHMNV-AWEZNQCLSA-N -1 1 277.339 3.182 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1CF ZINC000294092345 372578453 /nfs/dbraw/zinc/57/84/53/372578453.db2.gz NWUAWKXMQWVLDT-GFCCVEGCSA-N -1 1 273.307 3.120 20 0 CGADMM CO[C@]1(C)CCC[N@@H+](Cc2cccc(O)c2Cl)CC1 ZINC000294250393 372627988 /nfs/dbraw/zinc/62/79/88/372627988.db2.gz AISZACRIKNBZDB-OAHLLOKOSA-N -1 1 283.799 3.437 20 0 CGADMM CC(C)O[N-]C(=O)[C@H](C)c1cccc(Br)c1 ZINC000295481985 372797354 /nfs/dbraw/zinc/79/73/54/372797354.db2.gz DXZXPJLTIJVNGQ-SECBINFHSA-N -1 1 286.169 3.009 20 0 CGADMM CC(C)=CCC[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000295561746 372825965 /nfs/dbraw/zinc/82/59/65/372825965.db2.gz IHIMPBLJRGTJQJ-NSHDSACASA-N -1 1 265.328 3.396 20 0 CGADMM O=C(NC1CCC(c2ccccc2)CC1)c1cncc([O-])c1 ZINC000171909963 372849320 /nfs/dbraw/zinc/84/93/20/372849320.db2.gz LZOGKIIBVSCZLI-UHFFFAOYSA-N -1 1 296.370 3.243 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(C2CC(F)(F)C2)no1 ZINC000296237929 373063983 /nfs/dbraw/zinc/06/39/83/373063983.db2.gz AQNKBNRXDBJKSS-UHFFFAOYSA-N -1 1 270.210 3.094 20 0 CGADMM C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)[C@H]1C(=O)[O-] ZINC000300275193 373623743 /nfs/dbraw/zinc/62/37/43/373623743.db2.gz VYJNWLUERXCRHK-NOZJJQNGSA-N -1 1 285.746 3.164 20 0 CGADMM O=C(Nc1cccc(Cl)c1O)c1ccc(F)cc1[O-] ZINC000179004951 373827774 /nfs/dbraw/zinc/82/77/74/373827774.db2.gz WZRBZIHSMLWKSV-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM CC(=O)c1[n-]c(=N[C@@H](C)c2cc(C)oc2C)sc1C ZINC000450287541 374042095 /nfs/dbraw/zinc/04/20/95/374042095.db2.gz REWOSDJBBOWYKT-QMMMGPOBSA-N -1 1 278.377 3.459 20 0 CGADMM CC(C)(C)C[C@H]1CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000307780030 374152016 /nfs/dbraw/zinc/15/20/16/374152016.db2.gz TYENXJISBWIUJT-LLVKDONJSA-N -1 1 279.355 3.430 20 0 CGADMM CC(C)(C)OCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000308556865 374171150 /nfs/dbraw/zinc/17/11/50/374171150.db2.gz VVQDCWQSIXLZMT-UHFFFAOYSA-N -1 1 287.359 3.090 20 0 CGADMM CC(C)(NC(=O)c1ccc([O-])cc1F)c1cccc(F)c1 ZINC000181987560 374200954 /nfs/dbraw/zinc/20/09/54/374200954.db2.gz VLADOYJMMUEVPW-UHFFFAOYSA-N -1 1 291.297 3.336 20 0 CGADMM CO[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])[C@@H](C)C1 ZINC000320061198 374349714 /nfs/dbraw/zinc/34/97/14/374349714.db2.gz VLHWAXLSEDQUCP-SWLSCSKDSA-N -1 1 299.370 3.185 20 0 CGADMM CCCNc1ccccc1NC(=O)c1ccccc1[O-] ZINC000183585261 374430549 /nfs/dbraw/zinc/43/05/49/374430549.db2.gz DOKOWXUOPDVBKL-UHFFFAOYSA-N -1 1 270.332 3.466 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)[C@@H]1C(C)C ZINC000456334837 374518362 /nfs/dbraw/zinc/51/83/62/374518362.db2.gz MMAPKKRWHFFWKR-ZUZCIYMTSA-N -1 1 297.345 3.423 20 0 CGADMM Cc1nc(SCc2cc(C(C)(C)C)on2)[n-]c(=O)c1C ZINC000331345689 374525231 /nfs/dbraw/zinc/52/52/31/374525231.db2.gz VQBAUQRTPPXULB-UHFFFAOYSA-N -1 1 293.392 3.377 20 0 CGADMM C[C@H](C(=O)Nc1ccc([O-])c(F)c1F)C1CCC1 ZINC000334562889 374863171 /nfs/dbraw/zinc/86/31/71/374863171.db2.gz GEIMXQRGNKPIMX-ZETCQYMHSA-N -1 1 255.264 3.045 20 0 CGADMM CO[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CC[C@H]1C ZINC000187832302 375104673 /nfs/dbraw/zinc/10/46/73/375104673.db2.gz DGOWAQSMKBWLQO-SJKOYZFVSA-N -1 1 299.370 3.042 20 0 CGADMM COC(=O)c1c[n-]c(S[C@H](C)c2cccc(C)c2)n1 ZINC000187587070 375050314 /nfs/dbraw/zinc/05/03/14/375050314.db2.gz CVTSMIVWPXVVME-SNVBAGLBSA-N -1 1 276.361 3.358 20 0 CGADMM COC(=O)c1c[n-]c(SCc2cc(C)ccc2C)n1 ZINC000187592822 375050512 /nfs/dbraw/zinc/05/05/12/375050512.db2.gz XHRWTKHXFDZEED-UHFFFAOYSA-N -1 1 276.361 3.105 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@H](C)c2ccccc2)n1 ZINC000187594151 375051713 /nfs/dbraw/zinc/05/17/13/375051713.db2.gz GPLQJYIVCIYLAA-JTQLQIEISA-N -1 1 276.361 3.092 20 0 CGADMM C[C@]1(c2nc(-c3ccc([O-])cc3Cl)no2)CC1(F)F ZINC000334999098 375062632 /nfs/dbraw/zinc/06/26/32/375062632.db2.gz CTSXXFKJDRKUCO-LLVKDONJSA-N -1 1 286.665 3.392 20 0 CGADMM CCc1nc(CSc2nc(C3CC3)cc(=O)[n-]2)cs1 ZINC000188137641 375165865 /nfs/dbraw/zinc/16/58/65/375165865.db2.gz KWOFWMAPDDPKLG-UHFFFAOYSA-N -1 1 293.417 3.371 20 0 CGADMM Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1Cl ZINC000335439787 375293500 /nfs/dbraw/zinc/29/35/00/375293500.db2.gz AMQOUSVUMRVZPJ-MFKMUULPSA-N -1 1 281.783 3.191 20 0 CGADMM CN(CCC(F)(F)F)C(=O)c1ccc(Cl)cc1[O-] ZINC000097680574 541995148 /nfs/dbraw/zinc/99/51/48/541995148.db2.gz SDSARYUNFXJMGC-UHFFFAOYSA-N -1 1 281.661 3.070 20 0 CGADMM CSc1ccc(Cl)cc1[N-]C(=O)c1snnc1C ZINC000191389634 375622886 /nfs/dbraw/zinc/62/28/86/375622886.db2.gz COXVTNUDARFAJN-UHFFFAOYSA-N -1 1 299.808 3.474 20 0 CGADMM Cc1ccc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000335998593 375604832 /nfs/dbraw/zinc/60/48/32/375604832.db2.gz KBMGQNPNFOARTN-JTQLQIEISA-N -1 1 291.297 3.470 20 0 CGADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccsc1 ZINC000336154986 375733389 /nfs/dbraw/zinc/73/33/89/375733389.db2.gz OFCABYOLXGCJPE-UHFFFAOYSA-N -1 1 267.375 3.166 20 0 CGADMM Cc1cnc(SCc2cc(C(C)(C)C)on2)[n-]c1=O ZINC000519427094 375838502 /nfs/dbraw/zinc/83/85/02/375838502.db2.gz YODIYVCEKRTUMA-UHFFFAOYSA-N -1 1 279.365 3.068 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C2CCC1CC2 ZINC000537404930 376167021 /nfs/dbraw/zinc/16/70/21/376167021.db2.gz DRSIFLRYTYNPAJ-UHFFFAOYSA-N -1 1 285.265 3.178 20 0 CGADMM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1cc(F)ccc1[O-] ZINC000539850177 376342260 /nfs/dbraw/zinc/34/22/60/376342260.db2.gz JRHMDFHMNQKFTM-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000226743391 376372055 /nfs/dbraw/zinc/37/20/55/376372055.db2.gz UBJPWYNPURIMEX-VXFNFUGZSA-N -1 1 283.755 3.044 20 0 CGADMM COc1ccc(C)cc1CSc1nc(C)c(C)c(=O)[n-]1 ZINC000540717926 376392688 /nfs/dbraw/zinc/39/26/88/376392688.db2.gz QUAHNTYZNAUGLA-UHFFFAOYSA-N -1 1 290.388 3.408 20 0 CGADMM Cc1nc(SCc2ccccc2N(C)C)[n-]c(=O)c1C ZINC000540717952 376392829 /nfs/dbraw/zinc/39/28/29/376392829.db2.gz RRFJRCACYGFXAU-UHFFFAOYSA-N -1 1 289.404 3.157 20 0 CGADMM CC(C)CO[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000541887377 376491265 /nfs/dbraw/zinc/49/12/65/376491265.db2.gz YMOSVYDIYJFFKA-VIFPVBQESA-N -1 1 271.744 3.045 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000542815247 376581799 /nfs/dbraw/zinc/58/17/99/376581799.db2.gz PAZAZSZJCWVYDU-HLRDLLSLSA-N -1 1 294.354 3.105 20 0 CGADMM CC(C)CN(Cc1ccccc1)C(=O)c1cncc([O-])c1 ZINC000339821075 376861793 /nfs/dbraw/zinc/86/17/93/376861793.db2.gz YBKLTKKIHFLVKI-UHFFFAOYSA-N -1 1 284.359 3.086 20 0 CGADMM CCc1oc(C(=O)Nc2ccc(F)cc2[O-])cc1C ZINC000340327386 377002836 /nfs/dbraw/zinc/00/28/36/377002836.db2.gz JNBWBTIZYVLQDB-UHFFFAOYSA-N -1 1 263.268 3.247 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1nccc2ccccc21 ZINC000340332196 377007103 /nfs/dbraw/zinc/00/71/03/377007103.db2.gz MXGFSYIBLDCVBE-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(F)cc1[O-] ZINC000340330351 377007578 /nfs/dbraw/zinc/00/75/78/377007578.db2.gz YEGNCFSKPPYZJV-LLVKDONJSA-N -1 1 283.343 3.311 20 0 CGADMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000560022241 377114718 /nfs/dbraw/zinc/11/47/18/377114718.db2.gz VFYJWUYXFKIILZ-IUCAKERBSA-N -1 1 293.791 3.192 20 0 CGADMM O=C([O-])C1(NCc2ccc(-c3ccccc3)o2)CCC1 ZINC000340676890 377208827 /nfs/dbraw/zinc/20/88/27/377208827.db2.gz IWNHBCYBEOMUEW-UHFFFAOYSA-N -1 1 271.316 3.044 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])[C@@H]1c1ccccc1 ZINC000091984377 249031132 /nfs/dbraw/zinc/03/11/32/249031132.db2.gz VNNXFGSXKZJJGE-BZNIZROVSA-N -1 1 285.318 3.365 20 0 CGADMM COCC1(c2noc(-c3cc(F)ccc3[O-])n2)CCCC1 ZINC000312982358 249083980 /nfs/dbraw/zinc/08/39/80/249083980.db2.gz TZYWFXWIJYWGEK-UHFFFAOYSA-N -1 1 292.310 3.040 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2csc(Cl)n2)[n-]1 ZINC000298455379 249077182 /nfs/dbraw/zinc/07/71/82/249077182.db2.gz YIRMMWUOLWBIFK-UHFFFAOYSA-N -1 1 299.808 3.462 20 0 CGADMM Cc1ccc(CNCc2cccc([O-])c2Cl)nc1C ZINC000313927804 249094044 /nfs/dbraw/zinc/09/40/44/249094044.db2.gz MDEOXKUCYQBFGH-UHFFFAOYSA-N -1 1 276.767 3.347 20 0 CGADMM O=C([O-])[C@H]1CCCCN1Cc1ccc(-c2ccccc2)o1 ZINC000263433649 377936162 /nfs/dbraw/zinc/93/61/62/377936162.db2.gz SYAWXNXRBRQRBZ-OAHLLOKOSA-N -1 1 285.343 3.386 20 0 CGADMM COc1ccc(-c2nc(-c3ccc(O)c(C)c3)no2)c([O-])c1 ZINC000578423776 378068345 /nfs/dbraw/zinc/06/83/45/378068345.db2.gz AOOWHIBRMDPFKP-UHFFFAOYSA-N -1 1 298.298 3.132 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1csc(Cl)c1 ZINC000345796653 378371431 /nfs/dbraw/zinc/37/14/31/378371431.db2.gz WJETZNNMOIYOHW-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM CCCCO[C@@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000278066936 379289967 /nfs/dbraw/zinc/28/99/67/379289967.db2.gz FFPDYTXBSLBLFK-VIFPVBQESA-N -1 1 280.299 3.459 20 0 CGADMM C[C@@H]1CC[C@H](CCc2nc(-c3ccc([O-])c(F)c3)no2)O1 ZINC000350839066 379591261 /nfs/dbraw/zinc/59/12/61/379591261.db2.gz SBMLUGKORYDGGZ-MWLCHTKSSA-N -1 1 292.310 3.081 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccncc3Cl)n2)cc1F ZINC000350826497 379592129 /nfs/dbraw/zinc/59/21/29/379592129.db2.gz XHXLIHHGHMRTQK-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM CC1=C[C@H](C)CN(C(=O)N=c2[n-]sc3ccccc32)C1 ZINC000640339908 379770265 /nfs/dbraw/zinc/77/02/65/379770265.db2.gz ZPLPALUYYCAHLA-JTQLQIEISA-N -1 1 287.388 3.148 20 0 CGADMM CCCCN(CCCC)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000282191431 379871068 /nfs/dbraw/zinc/87/10/68/379871068.db2.gz WNMVHXAEGYZGAO-UHFFFAOYSA-N -1 1 292.358 3.139 20 0 CGADMM CCC(C)(C)[C@@H]1CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000408370037 380007021 /nfs/dbraw/zinc/00/70/21/380007021.db2.gz GBDKNPDDXVGVCK-ZDUSSCGKSA-N -1 1 276.380 3.136 20 0 CGADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@H]1CCCC[C@@H]1C ZINC000408369035 380007554 /nfs/dbraw/zinc/00/75/54/380007554.db2.gz QOZLOGZKCGOVFL-STQMWFEESA-N -1 1 276.380 3.136 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)[C@H]1C ZINC000283131935 380036847 /nfs/dbraw/zinc/03/68/47/380036847.db2.gz ZQRWYQYZIUCZBY-WCABBAIRSA-N -1 1 283.318 3.225 20 0 CGADMM CCO[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)C(C)C ZINC000357384206 381137300 /nfs/dbraw/zinc/13/73/00/381137300.db2.gz YLNIJOLJUICRFH-ZDUSSCGKSA-N -1 1 285.771 3.435 20 0 CGADMM CC[C@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC000362348469 381950902 /nfs/dbraw/zinc/95/09/02/381950902.db2.gz JFHCOBDBQCFQHE-AWEZNQCLSA-N -1 1 273.332 3.208 20 0 CGADMM CCC[C@@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000231314697 542304307 /nfs/dbraw/zinc/30/43/07/542304307.db2.gz ZABDOZDBMBUIHY-MRVPVSSYSA-N -1 1 286.169 3.073 20 0 CGADMM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cncc([O-])c2)C1 ZINC000286219158 542391829 /nfs/dbraw/zinc/39/18/29/542391829.db2.gz CXINJYOJPCGBHE-LRDDRELGSA-N -1 1 282.343 3.011 20 0 CGADMM COC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCCCC1 ZINC000288956175 197199810 /nfs/dbraw/zinc/19/98/10/197199810.db2.gz CPCXLQBOJPTHJD-UHFFFAOYSA-N -1 1 292.310 3.387 20 0 CGADMM CCC[C@H](C)[C@@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000288110701 197005762 /nfs/dbraw/zinc/00/57/62/197005762.db2.gz IZYFGMLTWMVZJA-WFASDCNBSA-N -1 1 289.375 3.002 20 0 CGADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1cncc(F)c1 ZINC000436859760 533277490 /nfs/dbraw/zinc/27/74/90/533277490.db2.gz DBIRUUOIAWVUSK-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM COc1ccc(C(=O)Nc2ncc(C(C)C)s2)c([O-])c1 ZINC000172675020 533349757 /nfs/dbraw/zinc/34/97/57/533349757.db2.gz PWWLPTZEORTOGB-UHFFFAOYSA-N -1 1 292.360 3.233 20 0 CGADMM O=C([O-])C[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000054298785 392090830 /nfs/dbraw/zinc/09/08/30/392090830.db2.gz VFQSNIPLVACFLV-JTQLQIEISA-N -1 1 285.746 3.166 20 0 CGADMM Cc1csc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000067867277 392161564 /nfs/dbraw/zinc/16/15/64/392161564.db2.gz LPOVAWCGAHTQOR-MRVPVSSYSA-N -1 1 296.779 3.302 20 0 CGADMM CN(C(=O)c1cc2ccccc2cc1[O-])c1cccnc1 ZINC000070231258 392180211 /nfs/dbraw/zinc/18/02/11/392180211.db2.gz DRGHPVYEUZKZKT-UHFFFAOYSA-N -1 1 278.311 3.217 20 0 CGADMM CN(C[C@@H]1CCCOC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000107065953 392315222 /nfs/dbraw/zinc/31/52/22/392315222.db2.gz WVLSQHUPTXCTQH-ZDUSSCGKSA-N -1 1 299.370 3.044 20 0 CGADMM CC(C)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000109477440 392358167 /nfs/dbraw/zinc/35/81/67/392358167.db2.gz LKIAFKOHAKPXON-GFCCVEGCSA-N -1 1 267.756 3.306 20 0 CGADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)C1CCC1 ZINC000457678336 392729787 /nfs/dbraw/zinc/72/97/87/392729787.db2.gz ZOEYJGWXAKGKSN-QMMMGPOBSA-N -1 1 253.729 3.420 20 0 CGADMM CC[C@H](C)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000221030914 393004374 /nfs/dbraw/zinc/00/43/74/393004374.db2.gz GNNVODSKEVNYHZ-QMMMGPOBSA-N -1 1 286.169 3.025 20 0 CGADMM CC[C@H]1CCC[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000648940478 393296196 /nfs/dbraw/zinc/29/61/96/393296196.db2.gz DYSOIFMZXDYWCL-UWVGGRQHSA-N -1 1 251.301 3.296 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCC1CCCCC1 ZINC000646412382 393280103 /nfs/dbraw/zinc/28/01/03/393280103.db2.gz GAQYRDAIMGLVFJ-UHFFFAOYSA-N -1 1 265.357 3.113 20 0 CGADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(C)cc(F)c1 ZINC000488289825 393479875 /nfs/dbraw/zinc/47/98/75/393479875.db2.gz FYHVHPAZKPUMFV-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM O=C(CCC1CCC1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000488550912 393538580 /nfs/dbraw/zinc/53/85/80/393538580.db2.gz XHOPXUZGLPSSCC-UHFFFAOYSA-N -1 1 275.377 3.079 20 0 CGADMM CC[C@H](C(=O)Nc1nc(SC)n[nH]1)C1CCC(C)CC1 ZINC000359584497 393553114 /nfs/dbraw/zinc/55/31/14/393553114.db2.gz DOJKPKPBJPXTNN-ILDUYXDCSA-N -1 1 296.440 3.318 20 0 CGADMM CC(C)[C@H](CC(F)(F)F)NC(=O)c1cc(F)ccc1[O-] ZINC000438621266 393728422 /nfs/dbraw/zinc/72/84/22/393728422.db2.gz RJNVOHBPDXFSTN-JTQLQIEISA-N -1 1 293.260 3.238 20 0 CGADMM [O-]c1ccc(-c2noc(COc3ccccc3)n2)c(F)c1 ZINC000445455341 393795417 /nfs/dbraw/zinc/79/54/17/393795417.db2.gz OVTOAHHVPDJQON-UHFFFAOYSA-N -1 1 286.262 3.160 20 0 CGADMM [O-]c1ccc(-c2noc(CCc3ccccc3)n2)c(F)c1 ZINC000445455554 393796223 /nfs/dbraw/zinc/79/62/23/393796223.db2.gz PWUUBSHKIZFUNI-UHFFFAOYSA-N -1 1 284.290 3.367 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\c3cccnc3)n2)c(F)c1 ZINC000445459086 393796884 /nfs/dbraw/zinc/79/68/84/393796884.db2.gz XNJWEAGWOCYXNI-UTCJRWHESA-N -1 1 283.262 3.147 20 0 CGADMM Oc1ccc(F)c(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1F ZINC000449532149 393885185 /nfs/dbraw/zinc/88/51/85/393885185.db2.gz CTCHMIIKYDIGEE-BZNIZROVSA-N -1 1 279.330 3.291 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cccc(CCO)c2)c([O-])c1 ZINC000456906456 394295683 /nfs/dbraw/zinc/29/56/83/394295683.db2.gz BZXXKZBQGYKHTM-UHFFFAOYSA-N -1 1 299.370 3.303 20 0 CGADMM CN(C(=O)c1ncc2ccccc2c1[O-])C(C1CC1)C1CC1 ZINC000667626839 542900880 /nfs/dbraw/zinc/90/08/80/542900880.db2.gz JUPINVOWPPXGLW-UHFFFAOYSA-N -1 1 296.370 3.201 20 0 CGADMM CCc1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1F ZINC000672112577 543196123 /nfs/dbraw/zinc/19/61/23/543196123.db2.gz MYXIIVIDWXORNZ-UHFFFAOYSA-N -1 1 277.270 3.485 20 0 CGADMM Cc1cccc(C)c1NCC(=O)Nc1c([O-])cccc1F ZINC000673756089 543254520 /nfs/dbraw/zinc/25/45/20/543254520.db2.gz KIJSTHUCNRFHSF-UHFFFAOYSA-N -1 1 288.322 3.199 20 0 CGADMM CC[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000650808118 397928163 /nfs/dbraw/zinc/92/81/63/397928163.db2.gz QYHMPMNUSXWJJV-CQSZACIVSA-N -1 1 291.322 3.381 20 0 CGADMM CC[C@H]1CCC[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000650718797 397901350 /nfs/dbraw/zinc/90/13/50/397901350.db2.gz ZSKWXHYHHMOHMC-CMPLNLGQSA-N -1 1 265.328 3.087 20 0 CGADMM CC[C@@H](C(=O)[O-])N(C)Cc1csc(Cl)c1Cl ZINC000650806328 397926962 /nfs/dbraw/zinc/92/69/62/397926962.db2.gz WXNHHDYRXVRRBI-ZETCQYMHSA-N -1 1 282.192 3.350 20 0 CGADMM CCc1cc(C)c(C(=O)Nc2c([O-])cccc2F)o1 ZINC000676051230 543379730 /nfs/dbraw/zinc/37/97/30/543379730.db2.gz OOBLVGAATKXZKT-UHFFFAOYSA-N -1 1 263.268 3.247 20 0 CGADMM Cc1ccc(CN(C(=O)c2cc(F)ccc2[O-])C2CC2)o1 ZINC000678304900 543513764 /nfs/dbraw/zinc/51/37/64/543513764.db2.gz SYAITSPZQRYHGG-UHFFFAOYSA-N -1 1 289.306 3.238 20 0 CGADMM CO[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000070333875 165060356 /nfs/dbraw/zinc/06/03/56/165060356.db2.gz MBYGJTKXWJHCFQ-CQSZACIVSA-N -1 1 291.734 3.372 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 ZINC000074842713 165092459 /nfs/dbraw/zinc/09/24/59/165092459.db2.gz QCMIPLKFJPMREW-UHFFFAOYSA-N -1 1 286.356 3.277 20 0 CGADMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000092602203 287112856 /nfs/dbraw/zinc/11/28/56/287112856.db2.gz PHCPYNKNQLFWDM-SNVBAGLBSA-N -1 1 289.306 3.070 20 0 CGADMM CC[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000111644738 287135644 /nfs/dbraw/zinc/13/56/44/287135644.db2.gz UYFVOLUSURCNHM-GXTWGEPZSA-N -1 1 299.370 3.185 20 0 CGADMM Cc1c(NC(=O)c2ccccc2[O-])cnn1CCC(C)C ZINC000124436188 287233276 /nfs/dbraw/zinc/23/32/76/287233276.db2.gz KYSBKYBFJFMROQ-UHFFFAOYSA-N -1 1 287.363 3.196 20 0 CGADMM C[C@H]1C[C@H](C)CN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000019840075 170888537 /nfs/dbraw/zinc/88/85/37/170888537.db2.gz XUNQLLDFXKMAEZ-UWVGGRQHSA-N -1 1 267.756 3.164 20 0 CGADMM CCOc1cc(F)ccc1NC(=O)c1ccccc1[O-] ZINC000127864891 287297405 /nfs/dbraw/zinc/29/74/05/287297405.db2.gz XMHZIEOSFAIFBL-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM O=C([O-])CN(Cc1cc(Cl)sc1Cl)CC1CC1 ZINC000308346910 416529010 /nfs/dbraw/zinc/52/90/10/416529010.db2.gz CLAUSRYUHIVFAV-UHFFFAOYSA-N -1 1 294.203 3.352 20 0 CGADMM C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000312273063 416534008 /nfs/dbraw/zinc/53/40/08/416534008.db2.gz ANVWRGPSXVVEBB-JFGNBEQYSA-N -1 1 283.318 3.068 20 0 CGADMM CC[C@@H]1CN(Cc2cc(C(=O)[O-])sc2C)[C@H](CC)CO1 ZINC000403794229 416549422 /nfs/dbraw/zinc/54/94/22/416549422.db2.gz ZFKWHEBWHRLUJR-CHWSQXEVSA-N -1 1 297.420 3.144 20 0 CGADMM CSc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccn1 ZINC000129595560 287335395 /nfs/dbraw/zinc/33/53/95/287335395.db2.gz MTBBAGZPLPLUOV-UHFFFAOYSA-N -1 1 294.763 3.415 20 0 CGADMM Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000129631725 287336438 /nfs/dbraw/zinc/33/64/38/287336438.db2.gz KUDWVVPCQHLWFG-JTQLQIEISA-N -1 1 293.754 3.059 20 0 CGADMM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681014150 543756387 /nfs/dbraw/zinc/75/63/87/543756387.db2.gz CICGBPDMERPEFE-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM CCc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681014118 543756863 /nfs/dbraw/zinc/75/68/63/543756863.db2.gz AMSMWVKNGYJDAK-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681018621 543757677 /nfs/dbraw/zinc/75/76/77/543757677.db2.gz OAPODJMSOVEZQP-CMPLNLGQSA-N -1 1 265.328 3.182 20 0 CGADMM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc([O-])c(F)c1 ZINC000681017075 543757763 /nfs/dbraw/zinc/75/77/63/543757763.db2.gz GAOTZFGCWKZDOG-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C(Nc1ccc2ccccc2n1)c1ccc([O-])c(F)c1 ZINC000681020292 543757975 /nfs/dbraw/zinc/75/79/75/543757975.db2.gz XHAAYOWFVHXJJH-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc([O-])c(F)c1 ZINC000681019523 543758021 /nfs/dbraw/zinc/75/80/21/543758021.db2.gz YBSVIXPUGAQFDH-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM C[C@H](CNC(=O)c1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000681024043 543758599 /nfs/dbraw/zinc/75/85/99/543758599.db2.gz HHFFWHQOQYVUFU-SNVBAGLBSA-N -1 1 291.297 3.204 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)C1CCCCC1 ZINC000681050182 543760087 /nfs/dbraw/zinc/76/00/87/543760087.db2.gz XGKPGOBZWIPYLW-SNVBAGLBSA-N -1 1 265.328 3.230 20 0 CGADMM O=C(N[C@H]1CSc2ccccc21)c1ccc([O-])c(F)c1 ZINC000681048342 543760258 /nfs/dbraw/zinc/76/02/58/543760258.db2.gz UFYAPJUBBYYIRL-LBPRGKRZSA-N -1 1 289.331 3.108 20 0 CGADMM O=C(Nc1ccc(Cl)cc1O)c1ccc([O-])c(F)c1 ZINC000681059347 543762223 /nfs/dbraw/zinc/76/22/23/543762223.db2.gz OBGXMQOCYVJDKH-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1coc(C2CCCC2)n1 ZINC000681203818 543773713 /nfs/dbraw/zinc/77/37/13/543773713.db2.gz GTXRXTYIEMFMBQ-UHFFFAOYSA-N -1 1 290.294 3.429 20 0 CGADMM O=C(NCc1ccc(Cl)cc1F)c1ccc([O-])c(F)c1 ZINC000681748543 543805689 /nfs/dbraw/zinc/80/56/89/543805689.db2.gz TWAUPKSORBHOKR-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@H]1C ZINC000294101760 296916462 /nfs/dbraw/zinc/91/64/62/296916462.db2.gz MSNZZCJDRGCNBD-MNOVXSKESA-N -1 1 255.317 3.026 20 0 CGADMM CC(C)CCc1cc(NC(=O)c2ccc([O-])cc2F)n[nH]1 ZINC000682613454 543854174 /nfs/dbraw/zinc/85/41/74/543854174.db2.gz HAMXBOUNVXDJFG-UHFFFAOYSA-N -1 1 291.326 3.095 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2cc(Cl)ccc2[O-])nc1 ZINC000682816622 543870555 /nfs/dbraw/zinc/87/05/55/543870555.db2.gz GPVBJZNZRMTJRX-UHFFFAOYSA-N -1 1 290.750 3.021 20 0 CGADMM O=C([O-])c1cccc(CNCc2cc(Cl)ccc2F)c1 ZINC000683175907 543901458 /nfs/dbraw/zinc/90/14/58/543901458.db2.gz CZBDPOMGCGRBSJ-UHFFFAOYSA-N -1 1 293.725 3.467 20 0 CGADMM O=C(NCCC1CCCCC1)c1c(F)ccc([O-])c1F ZINC000685421106 544066943 /nfs/dbraw/zinc/06/69/43/544066943.db2.gz GSEDWGHITXZUBA-UHFFFAOYSA-N -1 1 283.318 3.371 20 0 CGADMM CC1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000684869252 544035195 /nfs/dbraw/zinc/03/51/95/544035195.db2.gz QCGZQOVMFPSMLH-UHFFFAOYSA-N -1 1 287.281 3.283 20 0 CGADMM Cc1ncccc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000685568404 544085042 /nfs/dbraw/zinc/08/50/42/544085042.db2.gz FOEJOPIURACGDK-UHFFFAOYSA-N -1 1 273.361 3.055 20 0 CGADMM O=C(Nc1ccccc1OCC1CC1)c1ccc(O)cc1[O-] ZINC000133791462 287429698 /nfs/dbraw/zinc/42/96/98/287429698.db2.gz PTZYLKNTILYBAA-UHFFFAOYSA-N -1 1 299.326 3.139 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000652422206 418966968 /nfs/dbraw/zinc/96/69/68/418966968.db2.gz SAMDDAHGXZOWSA-KXUCPTDWSA-N -1 1 279.286 3.211 20 0 CGADMM O=C([O-])c1cccc(Br)c1CN1CCCCC1 ZINC000652451526 418969440 /nfs/dbraw/zinc/96/94/40/418969440.db2.gz ZWBCGCKGKXOJAZ-UHFFFAOYSA-N -1 1 298.180 3.133 20 0 CGADMM O=C(CCCC1CC1)Nc1ccc([O-])c(F)c1F ZINC000654305661 418960617 /nfs/dbraw/zinc/96/06/17/418960617.db2.gz OVXUKHNQCJZCKU-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC000652396259 418961187 /nfs/dbraw/zinc/96/11/87/418961187.db2.gz IJASHULXCGONJP-UHFFFAOYSA-N -1 1 253.729 3.023 20 0 CGADMM CCCN(CC1CC1)C(=O)c1ncc2ccccc2c1[O-] ZINC000665180046 419072925 /nfs/dbraw/zinc/07/29/25/419072925.db2.gz BPJOIWOJMBEUJB-UHFFFAOYSA-N -1 1 284.359 3.203 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](C2CCC2)C1 ZINC000665676086 419147227 /nfs/dbraw/zinc/14/72/27/419147227.db2.gz CMNYJKJMJFYYAI-LLVKDONJSA-N -1 1 279.767 3.308 20 0 CGADMM CCc1cccc2cc(CN[C@@H](CC3CC3)C(=O)[O-])oc21 ZINC000656566636 419184335 /nfs/dbraw/zinc/18/43/35/419184335.db2.gz QNCKOSLBFMSNEB-HNNXBMFYSA-N -1 1 287.359 3.338 20 0 CGADMM CC(C)c1ccc([C@@H](C)N(C)Cc2n[n-]c(=O)o2)cc1 ZINC000660845346 419203645 /nfs/dbraw/zinc/20/36/45/419203645.db2.gz PAJLSRXRRWLUHE-LLVKDONJSA-N -1 1 275.352 3.092 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000666313975 419207533 /nfs/dbraw/zinc/20/75/33/419207533.db2.gz JPPDCQFVIVHNAY-BNOWGMLFSA-N -1 1 297.358 3.157 20 0 CGADMM CCc1nc(S[C@H]2CCCCCC2=O)[n-]c(=O)c1C ZINC000657264907 419239654 /nfs/dbraw/zinc/23/96/54/419239654.db2.gz BIJWQDLSXIXSHK-LBPRGKRZSA-N -1 1 280.393 3.047 20 0 CGADMM CCc1nc(SCc2ccc(C)nc2)[n-]c(=O)c1C ZINC000657264126 419240317 /nfs/dbraw/zinc/24/03/17/419240317.db2.gz FQKPTZRKMBROTB-UHFFFAOYSA-N -1 1 275.377 3.049 20 0 CGADMM C[C@H]1CCC(C)(C)N1C(=O)c1ccc(Cl)cc1[O-] ZINC000662032864 419325396 /nfs/dbraw/zinc/32/53/96/419325396.db2.gz ONPOOIUYCRPEKP-VIFPVBQESA-N -1 1 267.756 3.449 20 0 CGADMM Cc1csc(CNC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000042317341 270032560 /nfs/dbraw/zinc/03/25/60/270032560.db2.gz GHMQRHYMUMWCAO-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM C[C@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2F)CC1 ZINC000227312373 270086995 /nfs/dbraw/zinc/08/69/95/270086995.db2.gz IQIAMFXBAANGQP-WDEREUQCSA-N -1 1 265.328 3.230 20 0 CGADMM CC(C)c1nc(=N[C@@H]2CCC[C@H](C(C)C)C2)o[n-]1 ZINC000524241709 270112321 /nfs/dbraw/zinc/11/23/21/270112321.db2.gz FPPLYLXEFUBCHI-NWDGAFQWSA-N -1 1 251.374 3.242 20 0 CGADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1CCCC12CC2 ZINC000529491694 270181957 /nfs/dbraw/zinc/18/19/57/270181957.db2.gz ARCCADRSGHAHNA-JTQLQIEISA-N -1 1 287.388 3.079 20 0 CGADMM [O-]c1cccc(CN2CC(Cc3ccco3)C2)c1Cl ZINC000529648402 270187071 /nfs/dbraw/zinc/18/70/71/270187071.db2.gz BPFQXXOYJBTMLG-UHFFFAOYSA-N -1 1 277.751 3.313 20 0 CGADMM O=C(CCC1CCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000530919281 270203854 /nfs/dbraw/zinc/20/38/54/270203854.db2.gz PGXLDQFTKYYUKW-UHFFFAOYSA-N -1 1 285.347 3.301 20 0 CGADMM O=C(CCCc1ccccc1)Nc1ccc(F)cc1[O-] ZINC000531755975 270209344 /nfs/dbraw/zinc/20/93/44/270209344.db2.gz XXFCNOPNIGOMPS-UHFFFAOYSA-N -1 1 273.307 3.493 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCC[C@H]1CCC1CCCC1 ZINC000531757863 270209422 /nfs/dbraw/zinc/20/94/22/270209422.db2.gz OSJCQVZWPLIINU-HNNXBMFYSA-N -1 1 288.391 3.362 20 0 CGADMM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cccc(F)c1[O-] ZINC000530004148 288280819 /nfs/dbraw/zinc/28/08/19/288280819.db2.gz CDFIPEPOZNGVAH-MRVPVSSYSA-N -1 1 292.310 3.268 20 0 CGADMM CC(C)CC1(C(=O)Nc2cccc(F)c2[O-])CC1 ZINC000530006537 288281965 /nfs/dbraw/zinc/28/19/65/288281965.db2.gz SUPUUELVULZETP-UHFFFAOYSA-N -1 1 251.301 3.296 20 0 CGADMM CCc1c(C)sc2[n-]c(-c3cc(C)on3)nc(=O)c12 ZINC000281297290 281368673 /nfs/dbraw/zinc/36/86/73/281368673.db2.gz YMPDJQKVIGWDGE-UHFFFAOYSA-N -1 1 275.333 3.231 20 0 CGADMM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531549347 288338428 /nfs/dbraw/zinc/33/84/28/288338428.db2.gz HUDLRJBTDRONGT-AAEUAGOBSA-N -1 1 293.388 3.290 20 0 CGADMM Cc1cc(C)cc(OCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532012342 288349989 /nfs/dbraw/zinc/34/99/89/288349989.db2.gz MGFLXHBBTZGKSK-UHFFFAOYSA-N -1 1 289.306 3.166 20 0 CGADMM CC(C)CC(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000535290630 288446419 /nfs/dbraw/zinc/44/64/19/288446419.db2.gz UMXLHPDMFUECQP-UHFFFAOYSA-N -1 1 283.784 3.198 20 0 CGADMM O=C(Nc1cccc2cc[nH]c21)c1cc(F)ccc1[O-] ZINC000547497516 288964534 /nfs/dbraw/zinc/96/45/34/288964534.db2.gz USDUVDVQRNKGKB-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM CCc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)nc1 ZINC000549066136 289034463 /nfs/dbraw/zinc/03/44/63/289034463.db2.gz KBCMBAPIXPXVCM-UHFFFAOYSA-N -1 1 297.330 3.370 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ccc(CC)cn2)n1 ZINC000554969077 289321331 /nfs/dbraw/zinc/32/13/31/289321331.db2.gz BPGCNSGVSRANQE-UHFFFAOYSA-N -1 1 289.404 3.384 20 0 CGADMM C[C@H](CNC(=O)c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000555578797 289350020 /nfs/dbraw/zinc/35/00/20/289350020.db2.gz ZAATYPXMRCUSII-SNVBAGLBSA-N -1 1 291.297 3.204 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CCC[C@H](C)CC2)s[n-]1 ZINC000336787552 294343271 /nfs/dbraw/zinc/34/32/71/294343271.db2.gz MDYCFNSSSFSVQC-HBNTYKKESA-N -1 1 269.414 3.048 20 0 CGADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Cl)ccc1F ZINC000263506358 300054465 /nfs/dbraw/zinc/05/44/65/300054465.db2.gz MDKSAKUIAZQONV-UWVGGRQHSA-N -1 1 285.746 3.164 20 0 CGADMM CC(=O)c1csc([N-]c2ncnc3oc(C)c(C)c32)n1 ZINC000163080360 321890590 /nfs/dbraw/zinc/89/05/90/321890590.db2.gz JTYFMAUDJUZVQZ-UHFFFAOYSA-N -1 1 288.332 3.242 20 0 CGADMM COc1cc(Cl)ccc1CN1CCC(CC(=O)[O-])CC1 ZINC000566361202 322118238 /nfs/dbraw/zinc/11/82/38/322118238.db2.gz GRDSEQPCKQDKCW-UHFFFAOYSA-N -1 1 297.782 3.035 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2nc(C3CC3)cs2)n1 ZINC000566790263 322137935 /nfs/dbraw/zinc/13/79/35/322137935.db2.gz BJSWOTQHNNZZIQ-UHFFFAOYSA-N -1 1 293.417 3.371 20 0 CGADMM O=C([O-])c1csc(CN2CCCC3(CCCCC3)C2)n1 ZINC000571768869 322307489 /nfs/dbraw/zinc/30/74/89/322307489.db2.gz PQOIYEWKCXFFAP-UHFFFAOYSA-N -1 1 294.420 3.388 20 0 CGADMM Cc1ccc2c(c1)CN(C(=O)c1c(F)ccc([O-])c1F)C2 ZINC000572647973 322348350 /nfs/dbraw/zinc/34/83/50/322348350.db2.gz JOEHBBWVZHHJSN-UHFFFAOYSA-N -1 1 289.281 3.135 20 0 CGADMM Cc1cnc(SCC(=O)CCC2CCCC2)[n-]c1=O ZINC000575332194 322482116 /nfs/dbraw/zinc/48/21/16/322482116.db2.gz PDNSVBFGZMEBPM-UHFFFAOYSA-N -1 1 280.393 3.122 20 0 CGADMM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2ncccc2[O-])c1 ZINC000426449362 533711725 /nfs/dbraw/zinc/71/17/25/533711725.db2.gz UAZGKERRPCCQCD-CYBMUJFWSA-N -1 1 284.359 3.237 20 0 CGADMM Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)nc1 ZINC000192265285 335102094 /nfs/dbraw/zinc/10/20/94/335102094.db2.gz NQCMSLOCDIMPII-UHFFFAOYSA-N -1 1 277.711 3.393 20 0 CGADMM Cc1oc([C@H](C)N2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000581076466 336005102 /nfs/dbraw/zinc/00/51/02/336005102.db2.gz DOLQNEJQPNRMQY-NSHDSACASA-N -1 1 285.343 3.406 20 0 CGADMM CCN(Cc1cccc(C(=O)[O-])c1Cl)C1CC1 ZINC000381749684 336072264 /nfs/dbraw/zinc/07/22/64/336072264.db2.gz VTQAGZURLIKGIM-UHFFFAOYSA-N -1 1 253.729 3.023 20 0 CGADMM C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc(C(=O)[O-])c1Cl ZINC000381976472 336079249 /nfs/dbraw/zinc/07/92/49/336079249.db2.gz WDMFSDRTEWYGEP-VHSXEESVSA-N -1 1 267.756 3.269 20 0 CGADMM Cc1ccsc1CN(C)Cc1cc(C(=O)[O-])oc1C ZINC000383779974 336117813 /nfs/dbraw/zinc/11/78/13/336117813.db2.gz WUGQRKUUNPRMFA-UHFFFAOYSA-N -1 1 279.361 3.288 20 0 CGADMM Cc1ccc(CCNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436798750 533803625 /nfs/dbraw/zinc/80/36/25/533803625.db2.gz MQCLUJXQCAVFNT-UHFFFAOYSA-N -1 1 289.762 3.327 20 0 CGADMM C[C@@H]1C[C@H](C)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000162939200 533806158 /nfs/dbraw/zinc/80/61/58/533806158.db2.gz YVXIUWMTFSGIPW-NWDGAFQWSA-N -1 1 269.344 3.416 20 0 CGADMM Cc1cc(NC(=O)c2cncc([O-])c2)cc(C)c1Cl ZINC000355839726 533996545 /nfs/dbraw/zinc/99/65/45/533996545.db2.gz TWIRQGANAZZALF-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1(F)F ZINC000436817869 534002404 /nfs/dbraw/zinc/00/24/04/534002404.db2.gz IZMUKPJIIDDGBE-MRVPVSSYSA-N -1 1 289.709 3.163 20 0 CGADMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccs2)c(C)c1 ZINC000426818872 534085116 /nfs/dbraw/zinc/08/51/16/534085116.db2.gz SZBMPRWHPUUZNN-AWEZNQCLSA-N -1 1 275.373 3.280 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)CC(C)C)c1 ZINC000436503217 534230794 /nfs/dbraw/zinc/23/07/94/534230794.db2.gz HDWAQTQXBDWFRS-UHFFFAOYSA-N -1 1 293.363 3.190 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H](C)C(C)(C)C)c1 ZINC000436504130 534230828 /nfs/dbraw/zinc/23/08/28/534230828.db2.gz IVVDWRQWEIGKJE-SNVBAGLBSA-N -1 1 293.363 3.190 20 0 CGADMM C[C@@H](Cc1ccccc1F)NC(=O)c1cc(F)ccc1[O-] ZINC000436549000 534253418 /nfs/dbraw/zinc/25/34/18/534253418.db2.gz DTCUPIRPENNAKZ-JTQLQIEISA-N -1 1 291.297 3.031 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ncccc3Cl)n2)cc1F ZINC000436786334 534449958 /nfs/dbraw/zinc/44/99/58/534449958.db2.gz XLOJJVYRTLOGHO-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000436898947 534554708 /nfs/dbraw/zinc/55/47/08/534554708.db2.gz IIXFPRWCLDVDHP-MRVPVSSYSA-N -1 1 289.709 3.211 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1noc2c1CCCCC2 ZINC000156818351 522878760 /nfs/dbraw/zinc/87/87/60/522878760.db2.gz HLRFSTLRBDKIIC-UHFFFAOYSA-N -1 1 289.335 3.055 20 0 CGADMM Cc1ccccc1C1(CNC(=O)c2c([O-])cccc2F)CC1 ZINC000436943397 534803021 /nfs/dbraw/zinc/80/30/21/534803021.db2.gz FQURBDJXMCIYRG-UHFFFAOYSA-N -1 1 299.345 3.301 20 0 CGADMM CC(C)(C)C[C@@H]1CCN(C(=O)c2cncc([O-])c2)C1(C)C ZINC000412835567 527699629 /nfs/dbraw/zinc/69/96/29/527699629.db2.gz ZMTPOACGQMLKJF-ZDUSSCGKSA-N -1 1 290.407 3.464 20 0 CGADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C)o2)[nH]n1 ZINC000358523117 528085882 /nfs/dbraw/zinc/08/58/82/528085882.db2.gz CRFPLNGNUWAADO-VIFPVBQESA-N -1 1 297.380 3.016 20 0 CGADMM CCCc1nc(-c2nc(-c3ccc([O-])cc3F)no2)co1 ZINC000436875255 528679904 /nfs/dbraw/zinc/67/99/04/528679904.db2.gz UHMOATWUHNZGEN-UHFFFAOYSA-N -1 1 289.266 3.189 20 0 CGADMM CCC[C@@H]1SCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000094151493 535503226 /nfs/dbraw/zinc/50/32/26/535503226.db2.gz UDLQYNVTFLEPFL-LBPRGKRZSA-N -1 1 285.796 3.361 20 0 CGADMM C[C@@H](c1cccc(Cl)c1)N1CCCN(C(=O)[O-])CC1 ZINC000739059104 572400763 /nfs/dbraw/zinc/40/07/63/572400763.db2.gz SBFOCQNHCDGLBT-NSHDSACASA-N -1 1 282.771 3.087 20 0 CGADMM CC(C)c1ocnc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000732306621 572459728 /nfs/dbraw/zinc/45/97/28/572459728.db2.gz HZNVSBFTKADXPW-UHFFFAOYSA-N -1 1 280.711 3.409 20 0 CGADMM CCC(CC)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744768335 572773697 /nfs/dbraw/zinc/77/36/97/572773697.db2.gz DUFKOIOTQRQWTE-UHFFFAOYSA-N -1 1 278.348 3.117 20 0 CGADMM CCC/C(C)=C/C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744861416 572779864 /nfs/dbraw/zinc/77/98/64/572779864.db2.gz IGPBOMAJZDFNNN-ZRDIBKRKSA-N -1 1 290.359 3.427 20 0 CGADMM C[C@H](c1ccccc1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736722172 572807192 /nfs/dbraw/zinc/80/71/92/572807192.db2.gz BBUFMEPGDSKZMA-GFCCVEGCSA-N -1 1 267.328 3.462 20 0 CGADMM C[C@@H](c1ccccc1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736722173 572807365 /nfs/dbraw/zinc/80/73/65/572807365.db2.gz BBUFMEPGDSKZMA-LBPRGKRZSA-N -1 1 267.328 3.462 20 0 CGADMM Cc1cscc1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000749010949 572988228 /nfs/dbraw/zinc/98/82/28/572988228.db2.gz LZMPTYQEIFUPEE-UHFFFAOYSA-N -1 1 291.376 3.236 20 0 CGADMM c1cc(-c2nnn[n-]2)oc1CNc1ccc2ccccc2c1 ZINC000823802370 607308695 /nfs/dbraw/zinc/30/86/95/607308695.db2.gz LFQFSZOXLMWXHW-UHFFFAOYSA-N -1 1 291.314 3.225 20 0 CGADMM c1cc(-c2nn[n-]n2)oc1CNc1ccc2ccccc2c1 ZINC000823802370 607308696 /nfs/dbraw/zinc/30/86/96/607308696.db2.gz LFQFSZOXLMWXHW-UHFFFAOYSA-N -1 1 291.314 3.225 20 0 CGADMM Cc1oc(C(C)(C)C)cc1C=C1SC(=O)[N-]C1=O ZINC000899340963 620644646 /nfs/dbraw/zinc/64/46/46/620644646.db2.gz QAONBNZYXHLJBT-WEVVVXLNSA-N -1 1 265.334 3.209 20 0 CGADMM Cc1cc(CN2C[C@@H](C)[C@H]2c2ccccc2)oc1C(=O)[O-] ZINC000832882519 601179457 /nfs/dbraw/zinc/17/94/57/601179457.db2.gz JQPZCQAGXBTNHA-DOMZBBRYSA-N -1 1 285.343 3.479 20 0 CGADMM Cc1[n-]n(-c2ncnc(Cl)c2C(C)C)c(=O)c1C(C)C ZINC000899352469 620647542 /nfs/dbraw/zinc/64/75/42/620647542.db2.gz JPYLXRATPNFTIO-SNVBAGLBSA-N -1 1 294.786 3.248 20 0 CGADMM C[C@H]1CN(Cc2cc(Cl)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000251714704 601515581 /nfs/dbraw/zinc/51/55/81/601515581.db2.gz JOYBWCCHNRJNGV-GZMMTYOYSA-N -1 1 288.174 3.146 20 0 CGADMM Cc1[n-]n(-c2nc(C(F)(F)F)cs2)c(=O)c1C(C)C ZINC000899353438 620650291 /nfs/dbraw/zinc/65/02/91/620650291.db2.gz ZZNCQTAIYMSKBM-QMMMGPOBSA-N -1 1 291.298 3.157 20 0 CGADMM C[C@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828516590 601643372 /nfs/dbraw/zinc/64/33/72/601643372.db2.gz NYGPYRQWUFZRFM-LBPRGKRZSA-N -1 1 299.345 3.471 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(Cl)cc3F)c(=O)c21 ZINC000899360357 620663218 /nfs/dbraw/zinc/66/32/18/620663218.db2.gz JQWDKQNPOCFWSN-JVXZTZIISA-N -1 1 266.703 3.228 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccc(F)c(F)c2)c1=O ZINC000899359779 620663298 /nfs/dbraw/zinc/66/32/98/620663298.db2.gz AGQLGRRDLYFEGC-SNVBAGLBSA-N -1 1 252.264 3.104 20 0 CGADMM C[C@@H]1C[C@@H](n2[n-]c3c(c2=O)CCCCCC3)C[C@H](C)O1 ZINC000899361005 620666452 /nfs/dbraw/zinc/66/64/52/620666452.db2.gz RMEXMMKSTHVZMK-CRWXNKLISA-N -1 1 278.396 3.111 20 0 CGADMM Cc1cccc([C@@H]2CCCN2Cc2occc2C(=O)[O-])n1 ZINC000832967030 604367944 /nfs/dbraw/zinc/36/79/44/604367944.db2.gz AEEYVWZNMDDPTB-AWEZNQCLSA-N -1 1 286.331 3.018 20 0 CGADMM C[C@H]1CCN(C(=O)c2cncc([O-])c2)[C@@H]1c1ccccc1 ZINC000899377112 620673761 /nfs/dbraw/zinc/67/37/61/620673761.db2.gz UHKBYQILNUNBDC-LRDDRELGSA-N -1 1 282.343 3.011 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cncc([O-])c2)[C@H]1c1ccccc1 ZINC000899377113 620674505 /nfs/dbraw/zinc/67/45/05/620674505.db2.gz UHKBYQILNUNBDC-MLGOLLRUSA-N -1 1 282.343 3.011 20 0 CGADMM CC1(C)CN(Cc2ccoc2C(=O)[O-])Cc2ccccc21 ZINC000833560984 604777540 /nfs/dbraw/zinc/77/75/40/604777540.db2.gz CSAYDUVZOHCJSC-UHFFFAOYSA-N -1 1 285.343 3.271 20 0 CGADMM C[C@H](c1ccco1)N(C)Cc1ccccc1CC(=O)[O-] ZINC000706347097 605063498 /nfs/dbraw/zinc/06/34/98/605063498.db2.gz CZBOVOXQRUOKNA-GFCCVEGCSA-N -1 1 273.332 3.100 20 0 CGADMM CCCC[C@H](CNC(=O)[O-])N[C@@H](C)c1cccnc1Cl ZINC000826806764 605112712 /nfs/dbraw/zinc/11/27/12/605112712.db2.gz QMPDNEZAXPXQOI-WDEREUQCSA-N -1 1 299.802 3.212 20 0 CGADMM Cc1cc(CN2CCSC[C@@H]2CC(=O)[O-])ccc1Cl ZINC000833745522 605727307 /nfs/dbraw/zinc/72/73/07/605727307.db2.gz MBSGHTPPVNIXEU-LBPRGKRZSA-N -1 1 299.823 3.041 20 0 CGADMM Cc1ccc(Sc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC000826293270 607894712 /nfs/dbraw/zinc/89/47/12/607894712.db2.gz IYASVGGGUDZHPU-UHFFFAOYSA-N -1 1 283.360 3.030 20 0 CGADMM Cc1ccc(Sc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC000826293270 607894713 /nfs/dbraw/zinc/89/47/13/607894713.db2.gz IYASVGGGUDZHPU-UHFFFAOYSA-N -1 1 283.360 3.030 20 0 CGADMM Cc1cccc2c1C(=O)N[C@@H](c1ccc([O-])c(Cl)c1)N2 ZINC000065888074 617671423 /nfs/dbraw/zinc/67/14/23/617671423.db2.gz DEUBDBSLXSTKLC-AWEZNQCLSA-N -1 1 288.734 3.208 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@@H]1C1CCCC1 ZINC000889416565 617684169 /nfs/dbraw/zinc/68/41/69/617684169.db2.gz YPIRJUWBFQECFU-CQSZACIVSA-N -1 1 293.794 3.379 20 0 CGADMM Cc1sc(CNCc2ccc(C)c(C)c2)nc1C(=O)[O-] ZINC000900064061 620757091 /nfs/dbraw/zinc/75/70/91/620757091.db2.gz HXQZUJPDXVZHRQ-UHFFFAOYSA-N -1 1 290.388 3.056 20 0 CGADMM CC(C)N(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1 ZINC000900554249 620795699 /nfs/dbraw/zinc/79/56/99/620795699.db2.gz VSMYURLQPXCXNN-UHFFFAOYSA-N -1 1 285.343 3.264 20 0 CGADMM O=C(NOCCC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000155036700 618832729 /nfs/dbraw/zinc/83/27/29/618832729.db2.gz VWRWTQBSLRYDOF-UHFFFAOYSA-N -1 1 299.248 3.159 20 0 CGADMM O=S(=O)(/C=C/c1cccc(Cl)c1)[N-]c1ccccn1 ZINC000184194669 619049804 /nfs/dbraw/zinc/04/98/04/619049804.db2.gz RAIXNMHSWOUWPF-VQHVLOKHSA-N -1 1 294.763 3.148 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1csc(C2CC2)n1 ZINC000194584349 619141337 /nfs/dbraw/zinc/14/13/37/619141337.db2.gz DRJMPDLMJQQFHI-UHFFFAOYSA-N -1 1 295.751 3.027 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc2ccccc2n1 ZINC000188356201 619249951 /nfs/dbraw/zinc/24/99/51/619249951.db2.gz OGSDDSBXYATZCM-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM Cc1ccccc1Cn1[n-]c2c(c1=O)CCCCC2 ZINC000107893123 619288323 /nfs/dbraw/zinc/28/83/23/619288323.db2.gz WGNRXVODHFIPRT-CQSZACIVSA-N -1 1 256.349 3.274 20 0 CGADMM CCCN(CC)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895665846 619867856 /nfs/dbraw/zinc/86/78/56/619867856.db2.gz PESRORWMVZFKSD-UHFFFAOYSA-N -1 1 273.332 3.123 20 0 CGADMM CC[C@H](CC(=O)[N-]OCc1ccccn1)c1ccccc1 ZINC000909529141 619896035 /nfs/dbraw/zinc/89/60/35/619896035.db2.gz BVQKUPFPSWUGKY-CQSZACIVSA-N -1 1 284.359 3.213 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CN[C@@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000263437480 620318806 /nfs/dbraw/zinc/31/88/06/620318806.db2.gz VCWMOULJGJBGLF-KCXAZCMYSA-N -1 1 299.370 3.189 20 0 CGADMM O=C([O-])c1cc(CN(C2CC2)[C@H]2CCc3ccccc32)on1 ZINC000901425200 620883401 /nfs/dbraw/zinc/88/34/01/620883401.db2.gz XAKYFACKAVJSJZ-INIZCTEOSA-N -1 1 298.342 3.025 20 0 CGADMM CO[C@@H](CN[C@@H](C(=O)[O-])c1cccs1)C1CCCCC1 ZINC000901597076 620947973 /nfs/dbraw/zinc/94/79/73/620947973.db2.gz FSKNAZGMKINNJQ-GXTWGEPZSA-N -1 1 297.420 3.059 20 0 CGADMM O=c1cc(-c2ccccc2)nc(SCCCCCO)[n-]1 ZINC000901618712 620948278 /nfs/dbraw/zinc/94/82/78/620948278.db2.gz INXUXCNXJHFXPU-UHFFFAOYSA-N -1 1 290.388 3.104 20 0 CGADMM Cc1cc([C@@H](N[C@@H](C)c2ccccn2)C(=O)[O-])ccc1F ZINC000901845424 621050916 /nfs/dbraw/zinc/05/09/16/621050916.db2.gz ZJQFKMZBDDQHDF-XHDPSFHLSA-N -1 1 288.322 3.006 20 0 CGADMM O=C([O-])[C@H]1CCCCCN1Cc1cnc(C2CCC2)s1 ZINC000902032513 621122820 /nfs/dbraw/zinc/12/28/20/621122820.db2.gz BAQDKTNGOMUXOX-CYBMUJFWSA-N -1 1 294.420 3.240 20 0 CGADMM CCOc1cccc([C@@H](C)NCc2ccc(C(=O)[O-])o2)c1 ZINC000902164102 621174914 /nfs/dbraw/zinc/17/49/14/621174914.db2.gz HQTCDOGUIMTECX-LLVKDONJSA-N -1 1 289.331 3.227 20 0 CGADMM Cc1cc(CN[C@H]2CCc3cc(F)ccc32)oc1C(=O)[O-] ZINC000902173639 621185163 /nfs/dbraw/zinc/18/51/63/621185163.db2.gz WQETWQNCOJVHFA-AWEZNQCLSA-N -1 1 289.306 3.202 20 0 CGADMM Cc1cc(CN[C@@H]2CCc3ccc(C)cc32)oc1C(=O)[O-] ZINC000902230191 621203880 /nfs/dbraw/zinc/20/38/80/621203880.db2.gz FSOIHCMKRVGOMR-OAHLLOKOSA-N -1 1 285.343 3.372 20 0 CGADMM CC[C@@](C)(NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000902233804 621204385 /nfs/dbraw/zinc/20/43/85/621204385.db2.gz CKFLWBWQWYOPSG-MRXNPFEDSA-N -1 1 273.332 3.393 20 0 CGADMM O=C([O-])c1occc1CNC1(c2cccc(Cl)c2)CC1 ZINC000902295096 621230236 /nfs/dbraw/zinc/23/02/36/621230236.db2.gz MJVOCAGEFJSBFL-UHFFFAOYSA-N -1 1 291.734 3.410 20 0 CGADMM Cc1ccc2c(c1)[C@@H](NCc1cc(C(=O)[O-])co1)[C@H](C)C2 ZINC000902418844 621310568 /nfs/dbraw/zinc/31/05/68/621310568.db2.gz PBADNMLACCFUDA-BZNIZROVSA-N -1 1 285.343 3.309 20 0 CGADMM Cc1cccc2c1CCC[C@H]2NCc1cc(C(=O)[O-])co1 ZINC000902467466 621339483 /nfs/dbraw/zinc/33/94/83/621339483.db2.gz XMUIOPUNNPJDDG-MRXNPFEDSA-N -1 1 285.343 3.453 20 0 CGADMM O=C([O-])c1ccc(CN2C[C@@H]3CC[C@H]2c2ccccc23)o1 ZINC000903621050 621776100 /nfs/dbraw/zinc/77/61/00/621776100.db2.gz NJKBEUUFFSCFBA-NHYWBVRUSA-N -1 1 283.327 3.412 20 0 CGADMM Cc1cc(F)c(CN[C@H]2C=CC[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000904035908 621857050 /nfs/dbraw/zinc/85/70/50/621857050.db2.gz UJEQIQSEPBFAPY-QWRGUYRKSA-N -1 1 297.757 3.297 20 0 CGADMM Cc1ccoc1CN[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000904044503 621858996 /nfs/dbraw/zinc/85/89/96/621858996.db2.gz BMHHIDDNFNGUEZ-AWEZNQCLSA-N -1 1 273.332 3.202 20 0 CGADMM O=C([O-])N[C@H]1C[C@@H](Nc2ccc3cnccc3c2)C12CCC2 ZINC000904248239 621891972 /nfs/dbraw/zinc/89/19/72/621891972.db2.gz ZURBRSHFCNGILA-CABCVRRESA-N -1 1 297.358 3.226 20 0 CGADMM [O-]c1ccc(Cc2nc(-c3cccnc3)no2)cc1Cl ZINC000904320662 621905182 /nfs/dbraw/zinc/90/51/82/621905182.db2.gz CZXZFWGVUBHDDG-UHFFFAOYSA-N -1 1 287.706 3.081 20 0 CGADMM Cc1cccc([C@H](C)NCc2ccc(C(=O)[O-])cn2)c1C ZINC000905723875 622100254 /nfs/dbraw/zinc/10/02/54/622100254.db2.gz JNYJUSGNNMFGID-ZDUSSCGKSA-N -1 1 284.359 3.247 20 0 CGADMM CC1(C)C[C@H](NCc2ccc(C(=O)[O-])cn2)c2ccccc21 ZINC000905725782 622101036 /nfs/dbraw/zinc/10/10/36/622101036.db2.gz ZCBGJQAZORXUHZ-INIZCTEOSA-N -1 1 296.370 3.292 20 0 CGADMM CC(=O)CCCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000909078789 622393901 /nfs/dbraw/zinc/39/39/01/622393901.db2.gz KIGPUHLONPWSDL-UHFFFAOYSA-N -1 1 299.370 3.425 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1c1ccccc1 ZINC000923960160 622439904 /nfs/dbraw/zinc/43/99/04/622439904.db2.gz QDQXKAYYSLKBFY-WBMJQRKESA-N -1 1 282.343 3.011 20 0 CGADMM CC(C)(C(=O)Nc1cc([O-])c(F)cc1F)[C@H]1CCCCO1 ZINC000909972343 622439991 /nfs/dbraw/zinc/43/99/91/622439991.db2.gz KXOOLOLPQPITTI-CYBMUJFWSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(CC1=CCCCC1)Nc1cc([O-])c(F)cc1F ZINC000909975808 622440040 /nfs/dbraw/zinc/44/00/40/622440040.db2.gz FTLJKZLZKIIWFY-UHFFFAOYSA-N -1 1 267.275 3.499 20 0 CGADMM CCO[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)C1CCCC1 ZINC000909971572 622440176 /nfs/dbraw/zinc/44/01/76/622440176.db2.gz GGPQRZBQOAIUOV-CQSZACIVSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C1(F)CCCCC1 ZINC000909987236 622443751 /nfs/dbraw/zinc/44/37/51/622443751.db2.gz MXTJNHAFNKVTSL-UHFFFAOYSA-N -1 1 273.254 3.281 20 0 CGADMM C[C@@H]1CCC[C@H](C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909981055 622444406 /nfs/dbraw/zinc/44/44/06/622444406.db2.gz LMFZUKNYQDNURX-BDAKNGLRSA-N -1 1 269.291 3.435 20 0 CGADMM CC(C)=C(C)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909988205 622446569 /nfs/dbraw/zinc/44/65/69/622446569.db2.gz ZVRPDZJTFMNZDV-UHFFFAOYSA-N -1 1 255.264 3.355 20 0 CGADMM CCS[C@H](C(=O)Nc1cc(F)cc(F)c1[O-])C(C)C ZINC000910983261 622513289 /nfs/dbraw/zinc/51/32/89/622513289.db2.gz FKYIDWCGFQAZQI-LBPRGKRZSA-N -1 1 289.347 3.387 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C12CCC(CC1)C2 ZINC000910984535 622513310 /nfs/dbraw/zinc/51/33/10/622513310.db2.gz XFAPDJQCXRFJHT-UHFFFAOYSA-N -1 1 267.275 3.189 20 0 CGADMM CCCCC[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000060357322 623036725 /nfs/dbraw/zinc/03/67/25/623036725.db2.gz CDDQHFDSHSWKNJ-JTQLQIEISA-N -1 1 291.363 3.212 20 0 CGADMM O=C([N-]c1ccon1)c1cc(-c2cccc(Cl)c2)no1 ZINC000179536163 624664278 /nfs/dbraw/zinc/66/42/78/624664278.db2.gz UALPEOLYRHZRES-UHFFFAOYSA-N -1 1 289.678 3.235 20 0 CGADMM [O-]c1cccc(CN[C@H](c2ncccn2)C2CC2)c1Cl ZINC000922578794 626014715 /nfs/dbraw/zinc/01/47/15/626014715.db2.gz LXKFKGMSTDQCOH-AWEZNQCLSA-N -1 1 289.766 3.077 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CNCc2ccccc2C(=O)[O-])o1 ZINC000874042635 634508745 /nfs/dbraw/zinc/50/87/45/634508745.db2.gz CUUFOIMPVGLYHW-ABAIWWIYSA-N -1 1 285.343 3.391 20 0 CGADMM Cc1ccc2cc(CNCc3ccc(C(=O)[O-])o3)ccc2n1 ZINC000756281705 626689229 /nfs/dbraw/zinc/68/92/29/626689229.db2.gz JVCLPBZRWQODLR-UHFFFAOYSA-N -1 1 296.326 3.124 20 0 CGADMM CC(C)(O)c1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000760891899 627000730 /nfs/dbraw/zinc/00/07/30/627000730.db2.gz LXBLICVYQQFNSE-UHFFFAOYSA-N -1 1 289.306 3.011 20 0 CGADMM O=C(Nc1c([O-])cccc1F)C(F)=C1CCCC1 ZINC000762604951 627117201 /nfs/dbraw/zinc/11/72/01/627117201.db2.gz PSTAIDPUPOISIE-UHFFFAOYSA-N -1 1 253.248 3.267 20 0 CGADMM CC(C)Oc1cc(O)ccc1NC(=O)c1ccccc1[O-] ZINC000762697734 627121101 /nfs/dbraw/zinc/12/11/01/627121101.db2.gz RIWGPRPFCNNJCP-UHFFFAOYSA-N -1 1 287.315 3.137 20 0 CGADMM C[C@H]1C[C@@H](CC(=O)[N-]OCC(F)(F)F)CC(C)(C)C1 ZINC000766774345 627360135 /nfs/dbraw/zinc/36/01/35/627360135.db2.gz OTCQTUMFMIMDNU-UWVGGRQHSA-N -1 1 281.318 3.449 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCCC12CCC2 ZINC000769658661 627572003 /nfs/dbraw/zinc/57/20/03/627572003.db2.gz OWVJJDLVNGDNIJ-UHFFFAOYSA-N -1 1 265.740 3.204 20 0 CGADMM CS[C@@H]1CCCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000772562531 627802915 /nfs/dbraw/zinc/80/29/15/627802915.db2.gz IUPLVHYVPQUSKF-SNVBAGLBSA-N -1 1 299.823 3.403 20 0 CGADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1c([O-])cccc1Cl ZINC000772869668 627829950 /nfs/dbraw/zinc/82/99/50/627829950.db2.gz FAYVMWSIPLRBNJ-ZJUUUORDSA-N -1 1 267.756 3.449 20 0 CGADMM Cc1ccc(CCOC(=O)c2ccc([O-])cc2F)cc1 ZINC000773565572 627897088 /nfs/dbraw/zinc/89/70/88/627897088.db2.gz KCRTYDPUHMVGJA-UHFFFAOYSA-N -1 1 274.291 3.239 20 0 CGADMM Cc1ccc(COC(=O)c2ccc([O-])cc2F)cc1 ZINC000773569688 627897744 /nfs/dbraw/zinc/89/77/44/627897744.db2.gz LTUXOKNIYIOVPQ-UHFFFAOYSA-N -1 1 260.264 3.197 20 0 CGADMM CCCc1nc(COC(=O)c2ccc([O-])cc2F)cs1 ZINC000773568594 627898060 /nfs/dbraw/zinc/89/80/60/627898060.db2.gz HHSMEICOZFPCIZ-UHFFFAOYSA-N -1 1 295.335 3.297 20 0 CGADMM C[C@@H](C(=O)[N-]OC1CCCCC1)c1ccsc1 ZINC000777958816 628314861 /nfs/dbraw/zinc/31/48/61/628314861.db2.gz QAATWXLWFVTADM-SNVBAGLBSA-N -1 1 253.367 3.232 20 0 CGADMM COc1cc(C(=O)NC[C@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000785591043 628873105 /nfs/dbraw/zinc/87/31/05/628873105.db2.gz VZRSKXBWHFPRJV-VIFPVBQESA-N -1 1 299.798 3.466 20 0 CGADMM COC1CCC(CC(=O)Nc2cccc(F)c2[O-])CC1 ZINC000863009505 629459565 /nfs/dbraw/zinc/45/95/65/629459565.db2.gz GJURESUXQCTQDM-UHFFFAOYSA-N -1 1 281.327 3.065 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCC(F)(F)Cl)n1 ZINC000863226622 629499812 /nfs/dbraw/zinc/49/98/12/629499812.db2.gz MSNCAUFSWDMGHO-UHFFFAOYSA-N -1 1 282.743 3.449 20 0 CGADMM CC(C)SCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000863304802 629528998 /nfs/dbraw/zinc/52/89/98/629528998.db2.gz BAPWJGAXIAHUNK-UHFFFAOYSA-N -1 1 284.328 3.392 20 0 CGADMM CCc1ccccc1[C@H](CC(=O)[O-])NCc1occc1C ZINC000864529088 629855773 /nfs/dbraw/zinc/85/57/73/629855773.db2.gz WSAZGOMEHXDVTF-HNNXBMFYSA-N -1 1 287.359 3.456 20 0 CGADMM COc1ccc2cc(NC(=O)c3cncc([O-])c3)ccc2c1 ZINC000804309255 630518718 /nfs/dbraw/zinc/51/87/18/630518718.db2.gz YBDDXMOQCUJWEJ-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM C[C@H]1[C@@H](C)N(C(=O)NCc2ccc([O-])c(Cl)c2)C[C@H]1C ZINC000876396309 634826647 /nfs/dbraw/zinc/82/66/47/634826647.db2.gz CHPRNSORJDBOMU-GMTAPVOTSA-N -1 1 296.798 3.232 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCCCCCCC1 ZINC000836924643 634829855 /nfs/dbraw/zinc/82/98/55/634829855.db2.gz HAWVXNSCTBKJTQ-UHFFFAOYSA-N -1 1 265.328 3.328 20 0 CGADMM Cc1cccc(F)c1CNC(=O)c1c(F)ccc([O-])c1F ZINC000809697726 630785601 /nfs/dbraw/zinc/78/56/01/630785601.db2.gz NDOSUVSQEFUWRF-UHFFFAOYSA-N -1 1 295.260 3.048 20 0 CGADMM Cc1nc(Cl)ccc1NC(=O)c1c(F)ccc([O-])c1F ZINC000809800681 630811844 /nfs/dbraw/zinc/81/18/44/630811844.db2.gz TWJARHSZTRJDLY-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM O=C([N-]c1ccon1)c1c(F)cc(C(F)(F)F)cc1F ZINC000810863525 630966841 /nfs/dbraw/zinc/96/68/41/630966841.db2.gz XEQNVRPWSRBMQH-UHFFFAOYSA-N -1 1 292.163 3.224 20 0 CGADMM CC(C(=O)Nc1ccc([O-])c(F)c1F)=C1CCC1 ZINC000837086676 634851685 /nfs/dbraw/zinc/85/16/85/634851685.db2.gz QUWZKSZOFLBJGC-UHFFFAOYSA-N -1 1 253.248 3.109 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC000816980213 632068674 /nfs/dbraw/zinc/06/86/74/632068674.db2.gz HGVXDLSUKNLFJH-RISCZKNCSA-N -1 1 267.344 3.413 20 0 CGADMM CCCO[N-]C(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000844084599 635817001 /nfs/dbraw/zinc/81/70/01/635817001.db2.gz BTHLJLRAEOMXOI-VIFPVBQESA-N -1 1 275.270 3.267 20 0 CGADMM COc1cnc(C=Cc2ccc(C(F)(F)F)cc2)[n-]c1=O ZINC000821007380 632711196 /nfs/dbraw/zinc/71/11/96/632711196.db2.gz HRYFZQLSBNDBQK-DAXSKMNVSA-N -1 1 296.248 3.380 20 0 CGADMM CC[C@](O)(CC(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000840426152 632738482 /nfs/dbraw/zinc/73/84/82/632738482.db2.gz MAHJALJHMVYNEY-KRWDZBQOSA-N -1 1 291.391 3.055 20 0 CGADMM CC(C)(CNC(=O)c1c([O-])cccc1Cl)C(C)(F)F ZINC000825842282 633383416 /nfs/dbraw/zinc/38/34/16/633383416.db2.gz DQDRWPQRKWOBBE-UHFFFAOYSA-N -1 1 291.725 3.457 20 0 CGADMM C[C@@]1(CC(=O)Nc2ccc(F)cc2[O-])CC1(Cl)Cl ZINC000827003904 633447697 /nfs/dbraw/zinc/44/76/97/633447697.db2.gz BMJWVUFFFIFDHD-LLVKDONJSA-N -1 1 292.137 3.444 20 0 CGADMM CC(C)(C(=O)Nc1nc(Cl)ccc1[O-])C(C)(F)F ZINC000830184412 633836860 /nfs/dbraw/zinc/83/68/60/633836860.db2.gz DNVDUZRCEMKIMS-UHFFFAOYSA-N -1 1 278.686 3.061 20 0 CGADMM COc1cccc(-n2[n-]c(CCC(C)C)cc2=O)c1 ZINC000871939352 633921850 /nfs/dbraw/zinc/92/18/50/633921850.db2.gz ADRLDUPPTXXIBK-UHFFFAOYSA-N -1 1 260.337 3.224 20 0 CGADMM CCCCc1cc(=O)n(-c2ccnc(Cl)c2)[n-]1 ZINC000871953483 633925775 /nfs/dbraw/zinc/92/57/75/633925775.db2.gz RPRHOWNWTKPWFI-UHFFFAOYSA-N -1 1 251.717 3.018 20 0 CGADMM C[C@@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C1CCC1 ZINC000872951585 634224367 /nfs/dbraw/zinc/22/43/67/634224367.db2.gz MUMFJPONNGKQES-SECBINFHSA-N -1 1 282.771 3.033 20 0 CGADMM CC(C)c1[nH]ccc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825818 634249396 /nfs/dbraw/zinc/24/93/96/634249396.db2.gz NMLLLJAVPKCBNI-UHFFFAOYSA-N -1 1 292.766 3.427 20 0 CGADMM CCCCCCOCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834828868 634249673 /nfs/dbraw/zinc/24/96/73/634249673.db2.gz BWKFAVMKZBMVQH-UHFFFAOYSA-N -1 1 299.798 3.259 20 0 CGADMM O=C(CC[C@H]1CCCCO1)NCc1ccc([O-])c(Cl)c1 ZINC000834829150 634250827 /nfs/dbraw/zinc/25/08/27/634250827.db2.gz MGQIZGWVUXLVGQ-GFCCVEGCSA-N -1 1 297.782 3.011 20 0 CGADMM CC1(C2(NC(=O)c3c([O-])cccc3Cl)CC2)CC1 ZINC000837037655 634845089 /nfs/dbraw/zinc/84/50/89/634845089.db2.gz UHQGTQKEIKYOIJ-UHFFFAOYSA-N -1 1 265.740 3.108 20 0 CGADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1c([O-])cccc1Cl ZINC000841459736 635178695 /nfs/dbraw/zinc/17/86/95/635178695.db2.gz FMWSQIKUGLZHCI-KXUCPTDWSA-N -1 1 267.756 3.162 20 0 CGADMM CC1(C)CC[C@@H](CC(=O)Nc2c([O-])cccc2F)OC1 ZINC000878867655 635646305 /nfs/dbraw/zinc/64/63/05/635646305.db2.gz VSWOUPQJBCYOSP-JTQLQIEISA-N -1 1 281.327 3.065 20 0 CGADMM O=C([N-]C1(c2ccc(C(F)(F)F)cc2)CC1)C(F)F ZINC000845003215 635996025 /nfs/dbraw/zinc/99/60/25/635996025.db2.gz NWLOFNKINLDHCB-UHFFFAOYSA-N -1 1 279.208 3.076 20 0 CGADMM O=C(NCC[C@H]1CCCC1(F)F)c1ccc([O-])c(F)c1 ZINC000881584140 636151382 /nfs/dbraw/zinc/15/13/82/636151382.db2.gz QUXUSJSDWBAQDC-SNVBAGLBSA-N -1 1 287.281 3.087 20 0 CGADMM O=C([O-])[C@@H](c1ccsc1)N1CCc2c(F)cccc2C1 ZINC000846247110 636166764 /nfs/dbraw/zinc/16/67/64/636166764.db2.gz VATDHDVNEUHLNK-CQSZACIVSA-N -1 1 291.347 3.071 20 0 CGADMM CC(C)CC1(C(=O)[N-]O[C@H]2CCCCO2)CCCC1 ZINC000131567563 636691893 /nfs/dbraw/zinc/69/18/93/636691893.db2.gz RUFQDTGXLBEROV-ZDUSSCGKSA-N -1 1 269.385 3.167 20 0 CGADMM Cc1cc(C)cc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000883955127 636888639 /nfs/dbraw/zinc/88/86/39/636888639.db2.gz LIDRXNPXZODUOT-UHFFFAOYSA-N -1 1 299.374 3.483 20 0 CGADMM CCc1nc(SC[Si](C)(C)C)[n-]c(=O)c1C ZINC000849921249 636908628 /nfs/dbraw/zinc/90/86/28/636908628.db2.gz MIGWLCQCCMYCGR-UHFFFAOYSA-N -1 1 256.447 3.023 20 0 CGADMM CSCC[C@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000134799288 637038674 /nfs/dbraw/zinc/03/86/74/637038674.db2.gz DLQMHKOMFXHAMH-NSHDSACASA-N -1 1 289.400 3.417 20 0 CGADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886269819 637474904 /nfs/dbraw/zinc/47/49/04/637474904.db2.gz IHPJLQYMOYSAGL-VXGBXAGGSA-N -1 1 297.345 3.011 20 0 CGADMM CC1(C)C[C@H](n2[n-]c3c(c2=O)CCC(C)(C)C3)C(C)(C)O1 ZINC000887297130 637792035 /nfs/dbraw/zinc/79/20/35/637792035.db2.gz UTJGUXMWJSAESE-YPMHNXCESA-N -1 1 292.423 3.357 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H]1C1CCCC1 ZINC000889406935 638023464 /nfs/dbraw/zinc/02/34/64/638023464.db2.gz FQIWEEXCUKIOEA-NSHDSACASA-N -1 1 281.302 3.075 20 0 CGADMM CC1(OCC(=O)Nc2cc(F)c([O-])cc2Cl)CCC1 ZINC000885675948 638038837 /nfs/dbraw/zinc/03/88/37/638038837.db2.gz GKOBZOSHUCQXMN-UHFFFAOYSA-N -1 1 287.718 3.082 20 0 CGADMM CC[C@H](C)[C@@H]1CCCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858467939 638727104 /nfs/dbraw/zinc/72/71/04/638727104.db2.gz YTQWJCRRUTVDSL-UWVGGRQHSA-N -1 1 269.776 3.241 20 0 CGADMM CC(C)(CNc1cc(Cl)[n-]c(=O)n1)C1CCC1 ZINC000858558702 638761682 /nfs/dbraw/zinc/76/16/82/638761682.db2.gz BQVMJIDUSCOGPT-UHFFFAOYSA-N -1 1 255.749 3.074 20 0 CGADMM C[C@H](Nc1cc(Cl)[n-]c(=O)n1)[C@@H]1CCC[C@H](C)C1 ZINC000858565066 638762555 /nfs/dbraw/zinc/76/25/55/638762555.db2.gz FPQPTJXQTPYBOO-LPEHRKFASA-N -1 1 269.776 3.462 20 0 CGADMM Cc1ccccc1[C@@H](C)C(=O)[N-]OCCC(F)(F)F ZINC000935501684 639824170 /nfs/dbraw/zinc/82/41/70/639824170.db2.gz MYLQOSULEAFLMW-SNVBAGLBSA-N -1 1 275.270 3.099 20 0 CGADMM [O-]c1c(F)cccc1-c1nc2cc3c(cc2[nH]1)CCO3 ZINC001250684065 805754865 /nfs/dbraw/zinc/75/48/65/805754865.db2.gz XSLOSQDNANXDBE-UHFFFAOYSA-N -1 1 270.263 3.010 20 0 CGADMM Cn1c2cc(F)ccc2nc1-c1cccc(F)c1[O-] ZINC001250683533 805754505 /nfs/dbraw/zinc/75/45/05/805754505.db2.gz KDOGMAPQGHMYJO-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM COc1cc2nc(-c3c([O-])cccc3F)[nH]c2cc1C ZINC001250674888 805755422 /nfs/dbraw/zinc/75/54/22/805755422.db2.gz ZMFDPQURMABKOL-UHFFFAOYSA-N -1 1 272.279 3.392 20 0 CGADMM CN(C)c1ccc2nc(-c3c(F)ccc(F)c3[O-])[nH]c2c1 ZINC001250804044 805779767 /nfs/dbraw/zinc/77/97/67/805779767.db2.gz YYUKGBFVQGBKIP-UHFFFAOYSA-N -1 1 289.285 3.280 20 0 CGADMM [O-]c1ccc(-c2nc3cc4c(cc3[nH]2)CCO4)c(F)c1F ZINC001250912681 805796950 /nfs/dbraw/zinc/79/69/50/805796950.db2.gz JACGTZILUVXBEA-UHFFFAOYSA-N -1 1 288.253 3.149 20 0 CGADMM [O-]c1cc(F)c(-c2nc3c(cccc3F)[nH]2)c(F)c1 ZINC001251007359 805826453 /nfs/dbraw/zinc/82/64/53/805826453.db2.gz JDOIVBVPOJDXDL-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM O=C([O-])c1ccc(F)c(-c2nc3ccc(F)cc3[nH]2)c1 ZINC001251014810 805830254 /nfs/dbraw/zinc/83/02/54/805830254.db2.gz KBGCQQCPCDNZEM-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM COc1ccc2nc(-c3cc(Cl)ncc3[O-])n(C)c2c1 ZINC001251251557 805871716 /nfs/dbraw/zinc/87/17/16/805871716.db2.gz HDGOSXQUGMJDJZ-UHFFFAOYSA-N -1 1 289.722 3.003 20 0 CGADMM Cc1cccc2[nH]c(-c3cc(Cl)ncc3[O-])nc21 ZINC001251252020 805871913 /nfs/dbraw/zinc/87/19/13/805871913.db2.gz MSKOWDHHQJNTGE-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM Cc1cccc2nc(-c3cc(Cl)ncc3[O-])[nH]c21 ZINC001251252020 805871927 /nfs/dbraw/zinc/87/19/27/805871927.db2.gz MSKOWDHHQJNTGE-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM COc1cccc2c1nc(-c1ccc(F)c([O-])c1)n2C ZINC001251477914 805899776 /nfs/dbraw/zinc/89/97/76/805899776.db2.gz ZCMDYGKLKJTRQZ-UHFFFAOYSA-N -1 1 272.279 3.094 20 0 CGADMM Cc1ccc(C(=O)Nc2cc(F)c([O-])cc2Cl)cn1 ZINC001157893091 805900644 /nfs/dbraw/zinc/90/06/44/805900644.db2.gz ANLQWHOSDHOZAO-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM O=S(=O)([N-]c1ccc2c(c1)N=NC2)c1ccc(F)cc1 ZINC001251667972 805919298 /nfs/dbraw/zinc/91/92/98/805919298.db2.gz CGUDDZNHRGTCSH-UHFFFAOYSA-N -1 1 291.307 3.224 20 0 CGADMM CCc1nc(CNC(=O)c2ccc3ccccc3c2[O-])co1 ZINC001158273331 805934159 /nfs/dbraw/zinc/93/41/59/805934159.db2.gz BEAFBRNDPJWDNS-UHFFFAOYSA-N -1 1 296.326 3.026 20 0 CGADMM COc1ccc(-c2nnc(-c3cccc([O-])c3F)o2)cc1 ZINC001252022554 805976430 /nfs/dbraw/zinc/97/64/30/805976430.db2.gz OFZKKWIZISUHLJ-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(F)c(F)c2)cc1 ZINC001252206479 806030446 /nfs/dbraw/zinc/03/04/46/806030446.db2.gz YTNBWBWKLHSWIL-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Nc1cccc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001159469447 806107591 /nfs/dbraw/zinc/10/75/91/806107591.db2.gz DLEIWECJVTWABK-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM [O-]c1c(-c2nnc(C3CC3)o2)ccc2ccccc21 ZINC001254048340 806333010 /nfs/dbraw/zinc/33/30/10/806333010.db2.gz LSBQECSIYSDZSR-UHFFFAOYSA-N -1 1 252.273 3.473 20 0 CGADMM Cc1cc(C)cc(CC(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC001161179886 806356463 /nfs/dbraw/zinc/35/64/63/806356463.db2.gz XMOBEPUMUGUJID-UHFFFAOYSA-N -1 1 290.750 3.239 20 0 CGADMM [O-]c1cccnc1-c1nnc([C@@H]2C[C@@H]2c2ccccc2)o1 ZINC001254515246 806436863 /nfs/dbraw/zinc/43/68/63/806436863.db2.gz YQFZWNFLOAFHNZ-VXGBXAGGSA-N -1 1 279.299 3.108 20 0 CGADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc(C)cc2C)c1 ZINC001254711406 806486412 /nfs/dbraw/zinc/48/64/12/806486412.db2.gz PPMMMVDOAPUYPC-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM [O-]c1ccc(Br)cc1-c1nnc(C2CCC2)o1 ZINC001255161261 806559570 /nfs/dbraw/zinc/55/95/70/806559570.db2.gz KUXUTLUVCSYYCN-UHFFFAOYSA-N -1 1 295.136 3.472 20 0 CGADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccnc(F)c2)cc1 ZINC001255274914 806589409 /nfs/dbraw/zinc/58/94/09/806589409.db2.gz XDIMELCLSIBUCE-UHFFFAOYSA-N -1 1 294.351 3.145 20 0 CGADMM [O-]c1c(-c2nnc([C@H]3CCOC3)o2)ccc2ccccc21 ZINC001255518306 806661204 /nfs/dbraw/zinc/66/12/04/806661204.db2.gz YBSPTIZGSLKQSA-NSHDSACASA-N -1 1 282.299 3.099 20 0 CGADMM CC(C)Oc1ccccc1[N-]S(=O)(=O)CC1CCC1 ZINC000092862097 798960262 /nfs/dbraw/zinc/96/02/62/798960262.db2.gz XPJHZNSIOCAGFA-UHFFFAOYSA-N -1 1 283.393 3.016 20 0 CGADMM CC(C)c1csc(NC(=O)c2ccc([O-])cc2F)n1 ZINC000161568829 799079645 /nfs/dbraw/zinc/07/96/45/799079645.db2.gz ZAJQBKSIJFBSQP-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM O=C(NCC1CCCCC1)Nc1cccc(F)c1[O-] ZINC000168932471 799087307 /nfs/dbraw/zinc/08/73/07/799087307.db2.gz SWGRBTCDIBDEEC-UHFFFAOYSA-N -1 1 266.316 3.233 20 0 CGADMM Cc1n[n-]c(=NCc2ccc(C(C)(C)C)s2)n1C1CC1 ZINC000340700624 799286617 /nfs/dbraw/zinc/28/66/17/799286617.db2.gz OCAOOYBDFRBEKN-UHFFFAOYSA-N -1 1 290.436 3.314 20 0 CGADMM Cc1cccc(-c2noc(-c3ccc(O)cc3[O-])n2)c1C ZINC000405098156 799581817 /nfs/dbraw/zinc/58/18/17/799581817.db2.gz YSTRXDJNUOXEDM-UHFFFAOYSA-N -1 1 282.299 3.432 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1cc(F)cc(Cl)c1)CC2 ZINC000405367456 799584190 /nfs/dbraw/zinc/58/41/90/799584190.db2.gz VWPOMIBHFYZACB-ZDUSSCGKSA-N -1 1 297.757 3.166 20 0 CGADMM O=C([O-])c1cc(CN2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000689149833 799761818 /nfs/dbraw/zinc/76/18/18/799761818.db2.gz HVNXMVOQUXCCQZ-VIFPVBQESA-N -1 1 293.310 3.221 20 0 CGADMM C=C/C=C/CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000713468968 800109027 /nfs/dbraw/zinc/10/90/27/800109027.db2.gz VSJABWPFXHNHCL-ONEGZZNKSA-N -1 1 267.328 3.408 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C2CCC1CC2 ZINC000828920789 800484147 /nfs/dbraw/zinc/48/41/47/800484147.db2.gz WRSLAAIMAVQTKW-UHFFFAOYSA-N -1 1 283.327 3.018 20 0 CGADMM O=C(NC1C[C@H]2CC[C@@H](C1)S2)c1c([O-])cccc1Cl ZINC000888364050 800553292 /nfs/dbraw/zinc/55/32/92/800553292.db2.gz PUIUWABZBUHBQV-PBINXNQUSA-N -1 1 297.807 3.202 20 0 CGADMM CCC[C@@H](NCc1ccc(CSC(F)F)o1)C(=O)[O-] ZINC001116763245 802407657 /nfs/dbraw/zinc/40/76/57/802407657.db2.gz RRJQZQOEJLIRRW-SNVBAGLBSA-N -1 1 293.335 3.078 20 0 CGADMM CC(C)O[N-]C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001117797091 802498089 /nfs/dbraw/zinc/49/80/89/802498089.db2.gz RTRVPALLQATGJG-SECBINFHSA-N -1 1 275.270 3.265 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1cc(Cl)ncc1F ZINC001120690924 802761826 /nfs/dbraw/zinc/76/18/26/802761826.db2.gz IMQGEPYSKQHILD-UHFFFAOYSA-N -1 1 283.690 3.238 20 0 CGADMM Cc1ccc(N(CC(C)C)C(=O)c2cnncc2[O-])c(C)c1 ZINC001120748861 802772307 /nfs/dbraw/zinc/77/23/07/802772307.db2.gz FUQMLFGXTOEXFR-UHFFFAOYSA-N -1 1 299.374 3.102 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cc2c(o1)CCCC2 ZINC001123936345 802983761 /nfs/dbraw/zinc/98/37/61/802983761.db2.gz LKEFUQQIGRCRJH-UHFFFAOYSA-N -1 1 275.279 3.255 20 0 CGADMM Cn1ccc2cc(-c3cc(F)c([O-])c(F)c3)cnc21 ZINC001244093252 803181673 /nfs/dbraw/zinc/18/16/73/803181673.db2.gz FBDCHLZYAUNTLA-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM COCCOc1ccc(-c2cc(F)c([O-])c(F)c2)cc1 ZINC001244094584 803182634 /nfs/dbraw/zinc/18/26/34/803182634.db2.gz VEUAMBFJOIOGCL-UHFFFAOYSA-N -1 1 280.270 3.363 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3c(c2)OCCN3)cc1F ZINC001244096294 803183921 /nfs/dbraw/zinc/18/39/21/803183921.db2.gz HDRRLMDJZPHYNR-UHFFFAOYSA-N -1 1 263.243 3.142 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3nccnc3c2)cc1F ZINC001244096023 803184374 /nfs/dbraw/zinc/18/43/74/803184374.db2.gz HTVAHNXZOIGHMR-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COC(=O)c1cc(-c2cc(F)c([O-])c(F)c2)ccc1F ZINC001244097157 803185307 /nfs/dbraw/zinc/18/53/07/803185307.db2.gz RTWZNEITJGPARR-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM Cc1ccc([O-])c(-c2nccc(C(=O)OC(C)(C)C)n2)c1 ZINC001244402457 803350279 /nfs/dbraw/zinc/35/02/79/803350279.db2.gz HRBJRAUDCFJMTO-UHFFFAOYSA-N -1 1 286.331 3.113 20 0 CGADMM Cc1cc(-c2ncnc3[nH]ccc32)cc(Cl)c1[O-] ZINC001244530336 803421857 /nfs/dbraw/zinc/42/18/57/803421857.db2.gz LFKPWYANUXDUGV-UHFFFAOYSA-N -1 1 259.696 3.244 20 0 CGADMM Cc1cc(-c2cncc(N3CCCC3)n2)cc(Cl)c1[O-] ZINC001244536654 803423680 /nfs/dbraw/zinc/42/36/80/803423680.db2.gz KYGAHVPGHRRZKC-UHFFFAOYSA-N -1 1 289.766 3.411 20 0 CGADMM Cc1cc2cnc(-c3c(Cl)ccc([O-])c3F)nc2[nH]1 ZINC001244538396 803425336 /nfs/dbraw/zinc/42/53/36/803425336.db2.gz LNVHKBDMEGAJIO-UHFFFAOYSA-N -1 1 277.686 3.383 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cc3c(nn2)CCC3)c1F ZINC001244541032 803428305 /nfs/dbraw/zinc/42/83/05/803428305.db2.gz VLOCBNYSVUZGBT-UHFFFAOYSA-N -1 1 264.687 3.130 20 0 CGADMM COc1ccc(-c2c(F)c([O-])ccc2Cl)c(N)c1 ZINC001244541466 803429052 /nfs/dbraw/zinc/42/90/52/803429052.db2.gz CXVLDPQARHGJJL-UHFFFAOYSA-N -1 1 267.687 3.443 20 0 CGADMM CN1Cc2ccc(-c3c(Cl)ccc([O-])c3F)cc2C1=O ZINC001244542006 803429055 /nfs/dbraw/zinc/42/90/55/803429055.db2.gz HEBGYCHHZBWRLG-UHFFFAOYSA-N -1 1 291.709 3.437 20 0 CGADMM NC(=O)CCc1cccc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244541730 803429756 /nfs/dbraw/zinc/42/97/56/803429756.db2.gz GJUAERJEJCBESO-UHFFFAOYSA-N -1 1 293.725 3.270 20 0 CGADMM Cc1cc(-c2ccc3cncn3c2)cc(C)c1C(=O)[O-] ZINC001244945813 803586621 /nfs/dbraw/zinc/58/66/21/803586621.db2.gz AMOHGXHNBBNGPA-UHFFFAOYSA-N -1 1 266.300 3.316 20 0 CGADMM Cc1c(Cl)cccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001244963927 803595376 /nfs/dbraw/zinc/59/53/76/803595376.db2.gz NGEBKUVSHSKRPG-UHFFFAOYSA-N -1 1 285.730 3.128 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCCc2ccccc21 ZINC001135438312 803597600 /nfs/dbraw/zinc/59/76/00/803597600.db2.gz VDOPUMHCEGMSRV-UHFFFAOYSA-N -1 1 271.291 3.124 20 0 CGADMM O=C(Nc1cccc2ncccc21)c1cccc([O-])c1F ZINC001135546927 803604146 /nfs/dbraw/zinc/60/41/46/803604146.db2.gz BXTMUSSHYIYCNB-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM Cc1cc(Cl)ccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001245090385 803640720 /nfs/dbraw/zinc/64/07/20/803640720.db2.gz FONIYUIHCJOEBL-UHFFFAOYSA-N -1 1 285.730 3.128 20 0 CGADMM Cc1nc2[nH]ccc2c(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245826085 803981585 /nfs/dbraw/zinc/98/15/85/803981585.db2.gz BDQGXGUIYMUGIX-UHFFFAOYSA-N -1 1 277.686 3.383 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(-n3cccc3)nn2)c1Cl ZINC001245828566 803983514 /nfs/dbraw/zinc/98/35/14/803983514.db2.gz VOYJWSCVWVQBIQ-UHFFFAOYSA-N -1 1 289.697 3.432 20 0 CGADMM O=C1Cc2c(cccc2-c2c(F)ccc([O-])c2Cl)N1 ZINC001245830956 803984635 /nfs/dbraw/zinc/98/46/35/803984635.db2.gz AYKRAJIGKMNKTJ-UHFFFAOYSA-N -1 1 277.682 3.346 20 0 CGADMM O=C1NCc2ccc(-c3c(F)ccc([O-])c3Cl)cc2N1 ZINC001245831757 803985758 /nfs/dbraw/zinc/98/57/58/803985758.db2.gz IGXWVCNWEDLMBG-UHFFFAOYSA-N -1 1 292.697 3.487 20 0 CGADMM Nc1ccc2ccc(-c3c(F)ccc([O-])c3Cl)nc2n1 ZINC001245833294 803989120 /nfs/dbraw/zinc/98/91/20/803989120.db2.gz XRAWCUNOVFEPMR-UHFFFAOYSA-N -1 1 289.697 3.377 20 0 CGADMM COc1ccc(-c2c(F)ccc([O-])c2Cl)c(F)n1 ZINC001245836603 803990361 /nfs/dbraw/zinc/99/03/61/803990361.db2.gz VCUMWVHELVCYHP-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM [O-]c1cc(Nc2ccncc2Cl)c(F)cc1Cl ZINC001212155063 814985115 /nfs/dbraw/zinc/98/51/15/814985115.db2.gz ARWPTMYSTDFLCL-UHFFFAOYSA-N -1 1 273.094 3.399 20 0 CGADMM COc1cc(OC)cc(-n2[n-]c(CC(C)(C)C)cc2=O)c1 ZINC001245932690 804062527 /nfs/dbraw/zinc/06/25/27/804062527.db2.gz QDDWDOKJORBRSO-UHFFFAOYSA-N -1 1 290.363 3.184 20 0 CGADMM COc1ccc(-n2[n-]c(CC(C)(C)C)cc2=O)cc1 ZINC001245933783 804063345 /nfs/dbraw/zinc/06/33/45/804063345.db2.gz YKCPHZVWRMPVRQ-UHFFFAOYSA-N -1 1 260.337 3.175 20 0 CGADMM C[C@@H]1CCC[C@@H]1n1[n-]c(-c2ccc(N)cc2)cc1=O ZINC001245936379 804066433 /nfs/dbraw/zinc/06/64/33/804066433.db2.gz JWPCYHISBSBKHW-YGRLFVJLSA-N -1 1 257.337 3.199 20 0 CGADMM O=c1cc(CC2CCC2)[n-]n1-c1ccc2ncccc2c1 ZINC001245936393 804067362 /nfs/dbraw/zinc/06/73/62/804067362.db2.gz JCAMBPBFHILYAA-UHFFFAOYSA-N -1 1 279.343 3.469 20 0 CGADMM O=c1cc(CC2CCCCC2)[n-]n1-c1ccncc1 ZINC001245940015 804071059 /nfs/dbraw/zinc/07/10/59/804071059.db2.gz QWUMFVOCPXLGDL-UHFFFAOYSA-N -1 1 257.337 3.096 20 0 CGADMM Cc1cc(Nc2cc3ccc([O-])cc3oc2=O)cnc1F ZINC001212180821 814989171 /nfs/dbraw/zinc/98/91/71/814989171.db2.gz IJJQRPMBWOICPF-UHFFFAOYSA-N -1 1 286.262 3.085 20 0 CGADMM Cc1[nH]c(CN2CC[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001140497047 804446746 /nfs/dbraw/zinc/44/67/46/804446746.db2.gz BZQYFABUDDKMOT-OAHLLOKOSA-N -1 1 284.359 3.277 20 0 CGADMM Cc1[nH]c(CN2CCC[C@@H]2c2ccccn2)c(C)c1C(=O)[O-] ZINC001140495894 804447170 /nfs/dbraw/zinc/44/71/70/804447170.db2.gz JMMXLNZEVBSAKS-OAHLLOKOSA-N -1 1 299.374 3.062 20 0 CGADMM Cc1[nH]c(CN(C)Cc2cccs2)c(C)c1C(=O)[O-] ZINC001140496027 804447638 /nfs/dbraw/zinc/44/76/38/804447638.db2.gz PFJXRKJLRZIVSS-UHFFFAOYSA-N -1 1 278.377 3.023 20 0 CGADMM CCCc1[nH]ccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001140657357 804486034 /nfs/dbraw/zinc/48/60/34/804486034.db2.gz PMBDCRHGNYHPNE-UHFFFAOYSA-N -1 1 280.274 3.203 20 0 CGADMM C[C@H]1CN(Cc2cc(F)c([O-])c(F)c2)CCC1(F)F ZINC001140987887 804562374 /nfs/dbraw/zinc/56/23/74/804562374.db2.gz FVAKUBKFMHNMNM-QMMMGPOBSA-N -1 1 277.261 3.148 20 0 CGADMM C[C@@H]1c2cccn2CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC001141449880 804643019 /nfs/dbraw/zinc/64/30/19/804643019.db2.gz NTJHDQCEAPLWCY-SNVBAGLBSA-N -1 1 290.750 3.064 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2cccc(OC3CC3)c2)no1 ZINC001212480896 815036180 /nfs/dbraw/zinc/03/61/80/815036180.db2.gz OUIXNLYLSVVEQU-UHFFFAOYSA-N -1 1 295.298 3.045 20 0 CGADMM COCc1csc(C(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001142545418 804736345 /nfs/dbraw/zinc/73/63/45/804736345.db2.gz BEUGUXGYGNOZSC-UHFFFAOYSA-N -1 1 299.298 3.131 20 0 CGADMM Cc1[nH]nc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1C ZINC001143786459 804897009 /nfs/dbraw/zinc/89/70/09/804897009.db2.gz CGGSQNFBTSPCGK-UHFFFAOYSA-N -1 1 299.252 3.003 20 0 CGADMM O=C1CCN(Cc2c(F)cc([O-])cc2F)[C@H]2CCCC[C@@H]12 ZINC001144541671 805001200 /nfs/dbraw/zinc/00/12/00/805001200.db2.gz JNSZZLYYAXQSKV-ABAIWWIYSA-N -1 1 295.329 3.004 20 0 CGADMM [O-]c1cc(F)c(CN2CCc3ccccc3C2)cc1F ZINC001144646841 805022821 /nfs/dbraw/zinc/02/28/21/805022821.db2.gz MTHNLSPHZDFMGO-UHFFFAOYSA-N -1 1 275.298 3.229 20 0 CGADMM Cc1cnc(SCc2ccc3ccccc3n2)[n-]c1=O ZINC001166227638 807040992 /nfs/dbraw/zinc/04/09/92/807040992.db2.gz OWMPODCWOMDGQS-UHFFFAOYSA-N -1 1 283.356 3.331 20 0 CGADMM O=C(Nc1cc(F)c(F)cc1F)c1ccc(F)c([O-])c1 ZINC001144870049 805057897 /nfs/dbraw/zinc/05/78/97/805057897.db2.gz FNQKDJNUBAEOLE-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM [O-]c1cc(Nc2ccncc2C(F)(F)F)cc(F)c1F ZINC001249594196 805185198 /nfs/dbraw/zinc/18/51/98/805185198.db2.gz XWMSHUCPOREBBS-UHFFFAOYSA-N -1 1 290.191 3.250 20 0 CGADMM CN(C[C@H]1CC1(C)C)C(=O)c1ccc2cccnc2c1[O-] ZINC001149320205 805228074 /nfs/dbraw/zinc/22/80/74/805228074.db2.gz KZZHGUHWAQEIHT-GFCCVEGCSA-N -1 1 284.359 3.059 20 0 CGADMM Cc1cccc(N)c1NC(=O)c1ccc2cccnc2c1[O-] ZINC001149322416 805228327 /nfs/dbraw/zinc/22/83/27/805228327.db2.gz LWFPJNGMLLLQGN-UHFFFAOYSA-N -1 1 293.326 3.083 20 0 CGADMM Cc1nnc([N-]c2cnc(OCC(C)C)c(Cl)c2)o1 ZINC001249778512 805241616 /nfs/dbraw/zinc/24/16/16/805241616.db2.gz GRCOQEFBQCFKGU-UHFFFAOYSA-N -1 1 282.731 3.205 20 0 CGADMM CCCC[C@@H](O)CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC001151583414 805299545 /nfs/dbraw/zinc/29/95/45/805299545.db2.gz ZTCSPXSPGMMHSO-LLVKDONJSA-N -1 1 285.771 3.315 20 0 CGADMM Cc1cc2ccccc2n1CC(=O)Nc1cccc(F)c1[O-] ZINC001151771156 805309661 /nfs/dbraw/zinc/30/96/61/805309661.db2.gz BRDCBKAKJASJJW-UHFFFAOYSA-N -1 1 298.317 3.433 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCC(=O)c2ccccc21 ZINC001151779674 805312003 /nfs/dbraw/zinc/31/20/03/805312003.db2.gz JYOULRCIGVJORM-GFCCVEGCSA-N -1 1 299.301 3.230 20 0 CGADMM [O-]c1cc(Nc2cncc(F)c2)c(F)c(F)c1F ZINC001249958143 805325069 /nfs/dbraw/zinc/32/50/69/805325069.db2.gz IXJMMHIZWYCPGK-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM [O-]c1cc(Nc2ccc(CO)cc2F)c(F)c(F)c1F ZINC001249964010 805331257 /nfs/dbraw/zinc/33/12/57/805331257.db2.gz VVWDGZHXQKVSTR-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM O=C1Cc2ccc(Nc3cc([O-])c(F)c(F)c3F)cc2C1 ZINC001249966535 805332977 /nfs/dbraw/zinc/33/29/77/805332977.db2.gz HKIIIVGIOXSJNE-UHFFFAOYSA-N -1 1 293.244 3.221 20 0 CGADMM O=c1[nH]ncc(Nc2cc(Cl)c([O-])cc2F)c1Cl ZINC001250019741 805369619 /nfs/dbraw/zinc/36/96/19/805369619.db2.gz CKQVOSUIMSXCOO-UHFFFAOYSA-N -1 1 290.081 3.077 20 0 CGADMM COc1ncc(Nc2cc(Cl)c([O-])cc2F)c(C)n1 ZINC001250019748 805369641 /nfs/dbraw/zinc/36/96/41/805369641.db2.gz CPLUGTNNENRGEC-UHFFFAOYSA-N -1 1 283.690 3.035 20 0 CGADMM Cc1c[nH]c(=O)c(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250020378 805371384 /nfs/dbraw/zinc/37/13/84/805371384.db2.gz SLKCKLGJJYRPSD-UHFFFAOYSA-N -1 1 268.675 3.337 20 0 CGADMM COC(=O)c1cc(Nc2cc(Cl)c([O-])cc2F)cn1C ZINC001250020463 805371873 /nfs/dbraw/zinc/37/18/73/805371873.db2.gz VYDSHTKFZVIWKJ-UHFFFAOYSA-N -1 1 298.701 3.053 20 0 CGADMM Cc1ncc(Nc2cc(Cl)c([O-])cc2F)nc1C ZINC001250020341 805372771 /nfs/dbraw/zinc/37/27/71/805372771.db2.gz QSTLJHCURLINNI-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM NC(=O)c1cccc(Nc2cc(Cl)c([O-])cc2F)c1F ZINC001250025764 805377074 /nfs/dbraw/zinc/37/70/74/805377074.db2.gz JTNSBDQUDFERTN-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccc([O-])cn1 ZINC001153783699 805414988 /nfs/dbraw/zinc/41/49/88/805414988.db2.gz MQJHPKLFWWIXGM-YVEFUNNKSA-N -1 1 296.370 3.231 20 0 CGADMM CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc(F)c([O-])c1 ZINC001154509270 805460263 /nfs/dbraw/zinc/46/02/63/805460263.db2.gz VNKWXPVTCHJAAH-JTQLQIEISA-N -1 1 293.260 3.238 20 0 CGADMM Cn1nc(Nc2c(F)ccc([O-])c2Cl)c2cccnc21 ZINC001250229291 805504838 /nfs/dbraw/zinc/50/48/38/805504838.db2.gz ZENSAKSQQWBTEJ-UHFFFAOYSA-N -1 1 292.701 3.210 20 0 CGADMM O=c1[nH]ncc(Nc2c(F)ccc([O-])c2Cl)c1Cl ZINC001250228997 805505134 /nfs/dbraw/zinc/50/51/34/805505134.db2.gz RPVPTBUTFMWWQY-UHFFFAOYSA-N -1 1 290.081 3.077 20 0 CGADMM CSc1ncc(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250229411 805506085 /nfs/dbraw/zinc/50/60/85/805506085.db2.gz GFSZFYBWXUJMNZ-UHFFFAOYSA-N -1 1 285.731 3.440 20 0 CGADMM Cc1cc(Nc2c(F)ccc([O-])c2Cl)n(CCF)n1 ZINC001250234595 805509137 /nfs/dbraw/zinc/50/91/37/805509137.db2.gz SSRMVQBXHDRVHS-UHFFFAOYSA-N -1 1 287.697 3.403 20 0 CGADMM [O-]c1cc(F)c(Nc2c(F)ccc(CO)c2F)cc1F ZINC001250258956 805527378 /nfs/dbraw/zinc/52/73/78/805527378.db2.gz DRIDFUMKJMCYJB-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CCc2ccccc2C1 ZINC001165807571 807019570 /nfs/dbraw/zinc/01/95/70/807019570.db2.gz NUQALWHQZHAZSL-CQSZACIVSA-N -1 1 285.318 3.041 20 0 CGADMM COc1cccc([O-])c1-c1nnc(C2CCCC2)o1 ZINC001257500254 807182916 /nfs/dbraw/zinc/18/29/16/807182916.db2.gz YUTXTFXNVRDISJ-UHFFFAOYSA-N -1 1 260.293 3.108 20 0 CGADMM COc1cccc([O-])c1-c1nnc(CC(C)(C)C)o1 ZINC001257839030 807224941 /nfs/dbraw/zinc/22/49/41/807224941.db2.gz KITSFDCXRLODBI-UHFFFAOYSA-N -1 1 262.309 3.039 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2cccc3cnccc32)no1 ZINC001212721413 815114349 /nfs/dbraw/zinc/11/43/49/815114349.db2.gz PGSTUMJYVZFDKF-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2cccc(OC3CC3)c2)no1 ZINC001212721633 815114802 /nfs/dbraw/zinc/11/48/02/815114802.db2.gz YHHQUWQLUODAFQ-UHFFFAOYSA-N -1 1 295.298 3.045 20 0 CGADMM Cc1ccccc1Cc1nnc(-c2ccc(F)c([O-])c2)o1 ZINC001258455163 807460725 /nfs/dbraw/zinc/46/07/25/807460725.db2.gz GGGUUKOPZGPUDW-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM Cc1cc(CO)cc(Nc2c([O-])cc(F)cc2F)c1 ZINC001212755277 815127477 /nfs/dbraw/zinc/12/74/77/815127477.db2.gz WSGXTEPMHWGCSW-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM [O-]c1ccc(F)c(-c2nnc(CC3CCCC3)o2)c1F ZINC001258695612 807550955 /nfs/dbraw/zinc/55/09/55/807550955.db2.gz SXUYYUAPUDICJF-UHFFFAOYSA-N -1 1 280.274 3.453 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cccc(CO)c1Cl ZINC001212762427 815130593 /nfs/dbraw/zinc/13/05/93/815130593.db2.gz RIDNZAUYMXCXTQ-UHFFFAOYSA-N -1 1 285.130 3.330 20 0 CGADMM CCCC(CCC)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258948858 807674157 /nfs/dbraw/zinc/67/41/57/807674157.db2.gz XZRAEMRUIUXHCY-UHFFFAOYSA-N -1 1 291.363 3.212 20 0 CGADMM CC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001259451992 807678240 /nfs/dbraw/zinc/67/82/40/807678240.db2.gz LMQGSSOROGYKBL-UHFFFAOYSA-N -1 1 293.791 3.194 20 0 CGADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c1 ZINC001259523507 807680692 /nfs/dbraw/zinc/68/06/92/807680692.db2.gz TXRGTEJAJURYHS-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM CCc1ccc(C)nc1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259612740 807681944 /nfs/dbraw/zinc/68/19/44/807681944.db2.gz AWXCTHFUIQBJTB-UHFFFAOYSA-N -1 1 296.436 3.274 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1cccc(F)c1C(F)(F)F ZINC001260740634 807703244 /nfs/dbraw/zinc/70/32/44/807703244.db2.gz SMUIKCPVFHRJJF-SSDOTTSWSA-N -1 1 299.289 3.385 20 0 CGADMM Cc1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])c(C)c1 ZINC001174015598 808823793 /nfs/dbraw/zinc/82/37/93/808823793.db2.gz UTELGYCSFQXCER-UHFFFAOYSA-N -1 1 291.372 3.156 20 0 CGADMM COc1cccc(Nc2c([O-])cc(F)cc2F)c1OC ZINC001174017260 808825303 /nfs/dbraw/zinc/82/53/03/808825303.db2.gz ZBSRRZQORBGGAH-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3c(c2)NCC3)cc1F ZINC001213156865 815247242 /nfs/dbraw/zinc/24/72/42/815247242.db2.gz YHUFLPUFNPDHOJ-UHFFFAOYSA-N -1 1 262.259 3.382 20 0 CGADMM CC(C)(C)c1nsc([N-]c2cncc(F)c2)n1 ZINC001174289306 808934180 /nfs/dbraw/zinc/93/41/80/808934180.db2.gz VCBYOGXJXXKGJU-UHFFFAOYSA-N -1 1 252.318 3.113 20 0 CGADMM [O-]c1cc(Nc2cnc3[nH]ccc3c2)cc(F)c1F ZINC001174398663 808996553 /nfs/dbraw/zinc/99/65/53/808996553.db2.gz GERSBTUPMSJMGZ-UHFFFAOYSA-N -1 1 261.231 3.242 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2cc(N)ccc2C)c(C)s1 ZINC001174422011 809013219 /nfs/dbraw/zinc/01/32/19/809013219.db2.gz LVPYSPMLNJGMOR-UHFFFAOYSA-N -1 1 296.417 3.056 20 0 CGADMM Cc1ccc(Nc2c([O-])cc(F)cc2F)cc1N ZINC001174935098 809205829 /nfs/dbraw/zinc/20/58/29/809205829.db2.gz JUDNLFGXAJTIOG-UHFFFAOYSA-N -1 1 250.248 3.305 20 0 CGADMM [O-]c1c(F)cc(Nc2cccc3nnsc32)cc1F ZINC001213386426 815274084 /nfs/dbraw/zinc/27/40/84/815274084.db2.gz BTHFNUPACJFXIG-UHFFFAOYSA-N -1 1 279.271 3.419 20 0 CGADMM COC(=O)c1ccc(F)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213384442 815274160 /nfs/dbraw/zinc/27/41/60/815274160.db2.gz MSQDMQPTYLRMRK-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)c2cccc(C)c2C)c([O-])c1 ZINC001293295880 809446250 /nfs/dbraw/zinc/44/62/50/809446250.db2.gz SIPMCMARXQNCHZ-ZDUSSCGKSA-N -1 1 284.359 3.203 20 0 CGADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc([O-])c1F ZINC001293874008 809456125 /nfs/dbraw/zinc/45/61/25/809456125.db2.gz JSHSWHMMGKWSRP-WZRBSPASSA-N -1 1 277.339 3.325 20 0 CGADMM Cc1ncccc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001294026127 809459759 /nfs/dbraw/zinc/45/97/59/809459759.db2.gz FDRQYSGCGTZJNY-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM CC(C)C[C@@H]1CCCN(C(=O)c2cccc([O-])c2F)C1 ZINC001294957771 809477718 /nfs/dbraw/zinc/47/77/18/809477718.db2.gz CUMSUYQQUWYABA-LBPRGKRZSA-N -1 1 279.355 3.430 20 0 CGADMM Cn1cc2cc(Nc3ccc(F)c(F)c3[O-])ccc2n1 ZINC001175623179 809477740 /nfs/dbraw/zinc/47/77/40/809477740.db2.gz LBIUKOYUUZGGDB-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM COc1cc(Nc2cc([O-])c(Cl)cc2F)c(F)cn1 ZINC001175692148 809506599 /nfs/dbraw/zinc/50/65/99/809506599.db2.gz QBAUXZBDCKSYCK-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM Cc1ccc(F)c(C(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001297819711 809523646 /nfs/dbraw/zinc/52/36/46/809523646.db2.gz BXZQZXRTAORRMX-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CC[C@@H]1CCC[C@@H]1CNC(=O)c1c([O-])cccc1F ZINC001298058728 809527053 /nfs/dbraw/zinc/52/70/53/809527053.db2.gz MCAWTLSMEBMFND-GHMZBOCLSA-N -1 1 265.328 3.087 20 0 CGADMM O=C(Nc1ccccc1OCCF)c1ccc(F)c([O-])c1 ZINC001298328100 809531736 /nfs/dbraw/zinc/53/17/36/809531736.db2.gz NBJBFYPWKOOBHT-UHFFFAOYSA-N -1 1 293.269 3.132 20 0 CGADMM Cc1ncc(/C=C/C(=O)Nc2cc(F)cc(F)c2[O-])s1 ZINC001299585930 809551593 /nfs/dbraw/zinc/55/15/93/809551593.db2.gz GVMABNCOSICANY-NSCUHMNNSA-N -1 1 296.298 3.087 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1scnc1C1CC1 ZINC001299580529 809552367 /nfs/dbraw/zinc/55/23/67/809552367.db2.gz HWSBRSWUOZASEV-UHFFFAOYSA-N -1 1 296.298 3.257 20 0 CGADMM O=C(NC1(C2CCC2)CC1)c1ncc2ccccc2c1[O-] ZINC001300227140 809564534 /nfs/dbraw/zinc/56/45/34/809564534.db2.gz UKARGQSSEPQUAQ-UHFFFAOYSA-N -1 1 282.343 3.003 20 0 CGADMM CCO[C@H](C(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC001300487445 809569323 /nfs/dbraw/zinc/56/93/23/809569323.db2.gz CFCILDJXCAXYLB-HNNXBMFYSA-N -1 1 289.306 3.248 20 0 CGADMM CCC(C)(C)[C@@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001300716557 809572536 /nfs/dbraw/zinc/57/25/36/809572536.db2.gz WWBWYTYBSZEAIZ-SECBINFHSA-N -1 1 253.317 3.086 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1C[C@H]1c1ccccc1 ZINC001302485024 809595801 /nfs/dbraw/zinc/59/58/01/809595801.db2.gz HDKUOODCAJZDHV-NWDGAFQWSA-N -1 1 271.291 3.274 20 0 CGADMM O=C(NCCC[C@@H]1C=CCC1)c1c([O-])cccc1F ZINC001303273547 809607525 /nfs/dbraw/zinc/60/75/25/809607525.db2.gz MABNHFPRBCGOFV-LLVKDONJSA-N -1 1 263.312 3.008 20 0 CGADMM O=C1CCc2cc(Nc3ccnc(Cl)c3[O-])ccc21 ZINC001176233109 809652567 /nfs/dbraw/zinc/65/25/67/809652567.db2.gz LBAUUCOJOSZUCB-UHFFFAOYSA-N -1 1 274.707 3.313 20 0 CGADMM CC(C)(C)c1nc([N-]c2cncc(C3CC3)c2)no1 ZINC001176282177 809659044 /nfs/dbraw/zinc/65/90/44/809659044.db2.gz QDMSHVLZNZNVEM-UHFFFAOYSA-N -1 1 258.325 3.383 20 0 CGADMM Cc1ccccc1-c1noc(-c2cnc(C(F)(F)F)[n-]2)n1 ZINC001213591502 815307535 /nfs/dbraw/zinc/30/75/35/815307535.db2.gz CGUHYNJVBLLZHZ-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM Cc1ccccc1-c1noc(-c2c[n-]c(C(F)(F)F)n2)n1 ZINC001213591502 815307542 /nfs/dbraw/zinc/30/75/42/815307542.db2.gz CGUHYNJVBLLZHZ-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc(O)cc1F ZINC001176413582 809690002 /nfs/dbraw/zinc/69/00/02/809690002.db2.gz NMZOIGJQUNVTAZ-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)n(CCF)n1 ZINC001176662851 809736959 /nfs/dbraw/zinc/73/69/59/809736959.db2.gz AOZPTKLXPSMKKQ-UHFFFAOYSA-N -1 1 289.232 3.028 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cn(CC3CC3)cn2)c1F ZINC001176663364 809737101 /nfs/dbraw/zinc/73/71/01/809737101.db2.gz GZAHFQSHGHXLPK-UHFFFAOYSA-N -1 1 283.253 3.160 20 0 CGADMM Nc1ccc(Cl)nc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664933 809737939 /nfs/dbraw/zinc/73/79/39/809737939.db2.gz ZFPDHNVCOZZRPC-UHFFFAOYSA-N -1 1 289.644 3.184 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cnc3ccccc3n2)c1F ZINC001176664146 809738651 /nfs/dbraw/zinc/73/86/51/809738651.db2.gz LZBNKVQHJUMIOP-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM Cc1nc(Nc2c(F)cc(F)c([O-])c2F)cs1 ZINC001176669785 809738738 /nfs/dbraw/zinc/73/87/38/809738738.db2.gz KPNKWHBUVUMDQC-UHFFFAOYSA-N -1 1 260.240 3.318 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ncc(O)cc2Cl)c1F ZINC001176669274 809738804 /nfs/dbraw/zinc/73/88/04/809738804.db2.gz FYCCSVNKDWJVES-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccc3cnncc32)c1F ZINC001176672488 809740001 /nfs/dbraw/zinc/74/00/01/809740001.db2.gz XXDCSYXLHOASFP-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM O=C1OCc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc21 ZINC001176670113 809740080 /nfs/dbraw/zinc/74/00/80/809740080.db2.gz RSSFKERRDJBBPT-UHFFFAOYSA-N -1 1 295.216 3.224 20 0 CGADMM COc1ccc(C(=O)Nc2cscc2Cl)c([O-])c1 ZINC001176885148 809766654 /nfs/dbraw/zinc/76/66/54/809766654.db2.gz MYKRVFBCJUXUQS-UHFFFAOYSA-N -1 1 283.736 3.368 20 0 CGADMM O=C(CCn1cccc1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001176940263 809771104 /nfs/dbraw/zinc/77/11/04/809771104.db2.gz YIRKBSKPAMSRPS-UHFFFAOYSA-N -1 1 298.264 3.241 20 0 CGADMM C[C@@H]1CCC[C@H](C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001178784957 809887613 /nfs/dbraw/zinc/88/76/13/809887613.db2.gz MBIMBABCADJLCA-MNOVXSKESA-N -1 1 297.345 3.155 20 0 CGADMM Cc1occc1CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001179308575 809914234 /nfs/dbraw/zinc/91/42/34/809914234.db2.gz RSXJAFCLNNROHN-UHFFFAOYSA-N -1 1 269.304 3.091 20 0 CGADMM O=C(NCCCc1ccsc1)c1ccc(Cl)cc1[O-] ZINC001181443626 810053260 /nfs/dbraw/zinc/05/32/60/810053260.db2.gz WKFBZRLGKWCPCS-UHFFFAOYSA-N -1 1 295.791 3.470 20 0 CGADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])[C@@H]1C[C@]1(F)Cl ZINC001181669722 810065620 /nfs/dbraw/zinc/06/56/20/810065620.db2.gz VECGYTSDCDTBDD-QUBYGPBYSA-N -1 1 297.635 3.274 20 0 CGADMM O=C(Cc1[nH]nc2ccccc21)Nc1ccccc1[S-] ZINC001182059823 810092233 /nfs/dbraw/zinc/09/22/33/810092233.db2.gz AMHKUUBMPKVNHI-UHFFFAOYSA-N -1 1 283.356 3.033 20 0 CGADMM C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc([O-])c(F)c1F ZINC001182172508 810096776 /nfs/dbraw/zinc/09/67/76/810096776.db2.gz CQYGVDBIJAIBBU-XXFAHNHDSA-N -1 1 291.297 3.282 20 0 CGADMM Cc1noc(C)c1NC(=O)Nc1ccc(Cl)cc1[O-] ZINC001185180921 810241655 /nfs/dbraw/zinc/24/16/55/810241655.db2.gz RRXZQQPIILYMCC-UHFFFAOYSA-N -1 1 281.699 3.294 20 0 CGADMM O=C(Nc1cc(C2CCCC2)no1)c1ccc([O-])c(F)c1 ZINC001186202603 810320418 /nfs/dbraw/zinc/32/04/18/810320418.db2.gz RZGNZOLGDNAXED-UHFFFAOYSA-N -1 1 290.294 3.429 20 0 CGADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)n(C2CCC2)n1 ZINC001186208328 810321080 /nfs/dbraw/zinc/32/10/80/810321080.db2.gz AYXVNPCPFBGQRB-UHFFFAOYSA-N -1 1 289.310 3.014 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001186219097 810321286 /nfs/dbraw/zinc/32/12/86/810321286.db2.gz LGTUTLOQRDPSHD-BETUJISGSA-N -1 1 297.329 3.258 20 0 CGADMM C[C@H]1C[C@H](NC(=O)c2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC001186234621 810322666 /nfs/dbraw/zinc/32/26/66/810322666.db2.gz WRZOERRGCNHGGC-JQWIXIFHSA-N -1 1 279.355 3.476 20 0 CGADMM Cn1c(NC(=O)c2ccc([O-])cc2F)cc2ccccc21 ZINC001186318319 810328070 /nfs/dbraw/zinc/32/80/70/810328070.db2.gz HVNATRGKCCRFDP-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM CC1(C[N-]S(=O)(=O)c2sccc2Cl)CCCC1 ZINC001186781040 810361806 /nfs/dbraw/zinc/36/18/06/810361806.db2.gz XHQVMHYSBMTWRB-UHFFFAOYSA-N -1 1 293.841 3.260 20 0 CGADMM Cc1cc([C@H](C)NC(=O)c2ccncc2[O-])ccc1Cl ZINC001188637893 810496824 /nfs/dbraw/zinc/49/68/24/810496824.db2.gz ITVIEKFMDCNLFU-JTQLQIEISA-N -1 1 290.750 3.240 20 0 CGADMM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccncc1 ZINC001190896471 810655951 /nfs/dbraw/zinc/65/59/51/810655951.db2.gz LSBUZSSCECZFSU-UHFFFAOYSA-N -1 1 296.779 3.098 20 0 CGADMM O=C(Nc1c([O-])cccc1F)NC1CCCCCC1 ZINC001191268317 810695194 /nfs/dbraw/zinc/69/51/94/810695194.db2.gz JLSCMRXRNXJKBS-UHFFFAOYSA-N -1 1 266.316 3.376 20 0 CGADMM CC1(C)C[C@@]1(C)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001194234341 811040255 /nfs/dbraw/zinc/04/02/55/811040255.db2.gz UEIPLDRFSKNBCQ-HNNXBMFYSA-N -1 1 293.388 3.147 20 0 CGADMM CC[C@H](C[C@@H](C)CC)OCCCC[P@](=O)([O-])O ZINC001225022022 816934392 /nfs/dbraw/zinc/93/43/92/816934392.db2.gz LOEBVIMTMGMAMV-NWDGAFQWSA-N -1 1 266.318 3.176 20 0 CGADMM Cc1ccc(OC(=O)Nc2c([O-])cccc2F)cc1 ZINC001194458313 811078479 /nfs/dbraw/zinc/07/84/79/811078479.db2.gz KQJLZAZMTGXUIW-UHFFFAOYSA-N -1 1 261.252 3.451 20 0 CGADMM COc1ccc(OC(=O)Nc2cccc(F)c2[O-])cc1 ZINC001194534941 811087223 /nfs/dbraw/zinc/08/72/23/811087223.db2.gz LKAKCUBFJBEALY-UHFFFAOYSA-N -1 1 277.251 3.151 20 0 CGADMM COc1ccc(OC(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001194540211 811088662 /nfs/dbraw/zinc/08/86/62/811088662.db2.gz FSCMZXLXLADXBH-UHFFFAOYSA-N -1 1 295.241 3.290 20 0 CGADMM Cc1cc(O)cc([N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194642335 811099686 /nfs/dbraw/zinc/09/96/86/811099686.db2.gz CMCNZXOOJZNGPT-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)Oc1ccc(F)cc1 ZINC001195035621 811188501 /nfs/dbraw/zinc/18/85/01/811188501.db2.gz LNBGYRWCSJZLMG-UHFFFAOYSA-N -1 1 283.205 3.420 20 0 CGADMM Cc1cc2ccc(NC(=O)c3nc(C)ccc3[O-])cc2[nH]1 ZINC001195329403 811242396 /nfs/dbraw/zinc/24/23/96/811242396.db2.gz ALNGQVRUUMPNHC-UHFFFAOYSA-N -1 1 281.315 3.138 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccccc1C(C)(C)C ZINC001195487776 811259959 /nfs/dbraw/zinc/25/99/59/811259959.db2.gz ZZBOEWLWDGPBFG-UHFFFAOYSA-N -1 1 280.393 3.427 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(F)c(F)cc1Cl ZINC001195487646 811260510 /nfs/dbraw/zinc/26/05/10/811260510.db2.gz XBGXYICCPZATMU-UHFFFAOYSA-N -1 1 294.710 3.061 20 0 CGADMM [O-]c1cccnc1N=C1CCC(C(F)(F)F)CC1 ZINC001195836197 811296190 /nfs/dbraw/zinc/29/61/90/811296190.db2.gz XIRRFXJGKPHGAZ-QMMMGPOBSA-N -1 1 258.243 3.445 20 0 CGADMM Cc1cc(CO)ccc1Nc1cc([O-])c(F)c(F)c1 ZINC001214668717 815440580 /nfs/dbraw/zinc/44/05/80/815440580.db2.gz CEMZWTMXYWRUDZ-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C)cn1 ZINC001198318864 811491146 /nfs/dbraw/zinc/49/11/46/811491146.db2.gz YJFHLAZOSOCKTB-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM [O-]c1cnc(Cl)cc1NC(=S)NCC1CCCCC1 ZINC001199920037 811611941 /nfs/dbraw/zinc/61/19/41/811611941.db2.gz GWIPTBIDTRCZSM-UHFFFAOYSA-N -1 1 299.827 3.307 20 0 CGADMM CC[C@@H](C)CNC(=S)Nc1cccc([O-])c1Cl ZINC001200253983 811654455 /nfs/dbraw/zinc/65/44/55/811654455.db2.gz NACNCNGWVNZDDU-MRVPVSSYSA-N -1 1 272.801 3.378 20 0 CGADMM O=C(Nc1ccccc1F)Nc1c([O-])cccc1F ZINC001202001112 811994576 /nfs/dbraw/zinc/99/45/76/811994576.db2.gz JVYULJWJIIMQCT-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM Cc1cccc(C)c1NC(=O)NCC(=O)c1ccc([O-])cc1 ZINC001202215454 812040751 /nfs/dbraw/zinc/04/07/51/812040751.db2.gz JFYFVHBHLUHUGA-UHFFFAOYSA-N -1 1 298.342 3.013 20 0 CGADMM O=C(Nc1cccc(F)c1)Nc1cc(F)c([O-])c(F)c1 ZINC001202231022 812046081 /nfs/dbraw/zinc/04/60/81/812046081.db2.gz UTVDYZZUEAARLP-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM O=C(Nc1ccc(F)cc1)Nc1ccc(F)cc1[O-] ZINC001202355494 812071882 /nfs/dbraw/zinc/07/18/82/812071882.db2.gz USFSGNARCHMKRX-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM Cc1cccc(NC(=O)NCC(=O)c2ccc([O-])cc2)c1C ZINC001202710644 812156160 /nfs/dbraw/zinc/15/61/60/812156160.db2.gz AZPDZQNNTJKRJP-UHFFFAOYSA-N -1 1 298.342 3.013 20 0 CGADMM CC(C)(C)c1nc([N-]c2ccc(F)c3n[nH]cc32)no1 ZINC001215366481 815510203 /nfs/dbraw/zinc/51/02/03/815510203.db2.gz RZGMLVOTILCIGG-UHFFFAOYSA-N -1 1 275.287 3.126 20 0 CGADMM CC(C)(C)c1nnc([N-]c2cc(F)c(O)cc2F)o1 ZINC001215569773 815536653 /nfs/dbraw/zinc/53/66/53/815536653.db2.gz HQHXSGDXBAHWOD-UHFFFAOYSA-N -1 1 269.251 3.095 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc(C3OCCO3)c2)cc1F ZINC001215574065 815538885 /nfs/dbraw/zinc/53/88/85/815538885.db2.gz VSJCTFZNKLFSJV-UHFFFAOYSA-N -1 1 293.269 3.459 20 0 CGADMM [O-]c1cc(Nc2ccc(F)c(CO)c2F)cc(F)c1F ZINC001215652799 815553980 /nfs/dbraw/zinc/55/39/80/815553980.db2.gz INNZXZZOMOGBDF-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM [O-]c1cc(Nc2cnn([C@H]3CCOC3)c2)c(F)cc1Cl ZINC001205192521 812904144 /nfs/dbraw/zinc/90/41/44/812904144.db2.gz XHSCPHWFPMWENI-VIFPVBQESA-N -1 1 297.717 3.086 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc4ncccc4c3)no2)nn1 ZINC001205293914 812934777 /nfs/dbraw/zinc/93/47/77/812934777.db2.gz KLOMBHDTJPLTIQ-UHFFFAOYSA-N -1 1 291.270 3.008 20 0 CGADMM COc1nc(-c2ccc([O-])cc2F)nc2ccsc21 ZINC001206029778 813171628 /nfs/dbraw/zinc/17/16/28/813171628.db2.gz JBQOTAZFZNYODH-UHFFFAOYSA-N -1 1 276.292 3.212 20 0 CGADMM COc1cnc(F)cc1[N-]c1nc(C(C)(C)C)ns1 ZINC001215804155 815598678 /nfs/dbraw/zinc/59/86/78/815598678.db2.gz ZZMJLIDHMKRPCO-UHFFFAOYSA-N -1 1 282.344 3.122 20 0 CGADMM CN(C)Cc1cc(-c2csc(C(=O)[O-])c2)ccc1F ZINC001206303286 813280017 /nfs/dbraw/zinc/28/00/17/813280017.db2.gz KAGSAOFUWREUIK-UHFFFAOYSA-N -1 1 279.336 3.314 20 0 CGADMM CC(=O)c1cccc(Nc2cccc(Cl)c2[O-])n1 ZINC001210218858 814346556 /nfs/dbraw/zinc/34/65/56/814346556.db2.gz DUOQPNMMVRLYGS-UHFFFAOYSA-N -1 1 262.696 3.387 20 0 CGADMM Cc1ccc(Nc2ccc(F)c(F)c2[O-])cc1CO ZINC001210253654 814367712 /nfs/dbraw/zinc/36/77/12/814367712.db2.gz YTSWUNZCQGRPNJ-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM CC(C)n1cc(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001210324152 814406492 /nfs/dbraw/zinc/40/64/92/814406492.db2.gz ATELGSYFRJMHDY-UHFFFAOYSA-N -1 1 253.252 3.191 20 0 CGADMM CSc1nc(Nc2ccc(O)c(C(C)C)c2)cc(=O)[n-]1 ZINC001215845109 815612901 /nfs/dbraw/zinc/61/29/01/815612901.db2.gz QPFSWKSQDBLDKW-UHFFFAOYSA-N -1 1 291.376 3.477 20 0 CGADMM C[C@@H](O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001210647404 814570603 /nfs/dbraw/zinc/57/06/03/814570603.db2.gz FODBTSVCDYAJNP-MRVPVSSYSA-N -1 1 265.259 3.467 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccnc(OC2CC2)c1 ZINC001210749143 814610646 /nfs/dbraw/zinc/61/06/46/814610646.db2.gz UCVPJDQPVGSWMN-UHFFFAOYSA-N -1 1 278.258 3.350 20 0 CGADMM CCc1cccc(C)c1-n1[n-]c(=O)c2cc(N)ccc21 ZINC001210874324 814659897 /nfs/dbraw/zinc/65/98/97/814659897.db2.gz CYQARXBVZYSGHF-UHFFFAOYSA-N -1 1 267.332 3.184 20 0 CGADMM COC(=O)c1cnc(-c2cccc([O-])c2Cl)cc1C ZINC001242797570 823135215 /nfs/dbraw/zinc/13/52/15/823135215.db2.gz KIZBKAKDHKBTPA-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Cc1ccc(OC(C)C)c(-n2[n-]c(=O)c3ccc(N)cc32)c1 ZINC001211280129 814869208 /nfs/dbraw/zinc/86/92/08/814869208.db2.gz BMJGETZFSWDVHM-UHFFFAOYSA-N -1 1 297.358 3.409 20 0 CGADMM Cc1cc(N(C)C)ncc1-c1cc(F)c([O-])cc1F ZINC001211338269 814881995 /nfs/dbraw/zinc/88/19/95/814881995.db2.gz BUEYLMHJRJWQFN-UHFFFAOYSA-N -1 1 264.275 3.107 20 0 CGADMM CN1CCOc2cc(-c3cc(F)c([O-])cc3F)ccc21 ZINC001211350504 814883971 /nfs/dbraw/zinc/88/39/71/814883971.db2.gz QCGTUVLORSKOLI-UHFFFAOYSA-N -1 1 277.270 3.166 20 0 CGADMM COc1ccc(-c2cc(F)c([O-])cc2F)cc1NC(C)=O ZINC001211360662 814886596 /nfs/dbraw/zinc/88/65/96/814886596.db2.gz UPZZXFFFXPRXEN-UHFFFAOYSA-N -1 1 293.269 3.304 20 0 CGADMM CSc1ccc(F)c([N-]c2cnns2)c1F ZINC001215839937 815610705 /nfs/dbraw/zinc/61/07/05/815610705.db2.gz YNFCYZPMOYEOSA-UHFFFAOYSA-N -1 1 259.306 3.282 20 0 CGADMM Nc1c(F)c(F)c(F)cc1Nc1c([O-])cc(F)cc1F ZINC001216009383 815659576 /nfs/dbraw/zinc/65/95/76/815659576.db2.gz SQYIVIYPMVZNLQ-UHFFFAOYSA-N -1 1 290.191 3.414 20 0 CGADMM CSc1nc(Nc2cc(C(C)C)ccc2N)cc(=O)[n-]1 ZINC001216019699 815663024 /nfs/dbraw/zinc/66/30/24/815663024.db2.gz XJMIRNRBUYNPFS-UHFFFAOYSA-N -1 1 290.392 3.353 20 0 CGADMM COc1cc(-c2cc(F)c([O-])cc2F)cc(C)n1 ZINC001222082725 816342943 /nfs/dbraw/zinc/34/29/43/816342943.db2.gz GSWZMLZPDLHTGW-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CC(C)[C@@H](OCCCC[P@](=O)([O-])O)c1ccccc1 ZINC001225018624 816933195 /nfs/dbraw/zinc/93/31/95/816933195.db2.gz CTUUOGLJTWNGAM-CQSZACIVSA-N -1 1 286.308 3.358 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C)Cc1ccccc1 ZINC001225680326 817139297 /nfs/dbraw/zinc/13/92/97/817139297.db2.gz XGPDADKPOATDEV-NSHDSACASA-N -1 1 286.327 3.310 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3C=CCCC3)c12 ZINC001226483149 817372129 /nfs/dbraw/zinc/37/21/29/817372129.db2.gz AONCTPVPLDENMD-GFCCVEGCSA-N -1 1 272.300 3.295 20 0 CGADMM CC(C)=CCC[C@@H](C)Oc1[n-]c(=S)ncc1F ZINC001227384435 817636639 /nfs/dbraw/zinc/63/66/39/817636639.db2.gz ZLCDCZQTQDLKRQ-SECBINFHSA-N -1 1 256.346 3.418 20 0 CGADMM Cc1ccc(-c2cccc3cncn32)cc1C(=O)[O-] ZINC001243196517 823286055 /nfs/dbraw/zinc/28/60/55/823286055.db2.gz YXAKWOOIUGQVOF-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM Cc1ccc([C@H](C)Oc2[n-]c(=O)nc3c2CO[C@@H]3C)cc1 ZINC001227717089 817701507 /nfs/dbraw/zinc/70/15/07/817701507.db2.gz XCUQWAJTXDKLPQ-WDEREUQCSA-N -1 1 286.331 3.222 20 0 CGADMM C[C@H](Oc1[n-]c(=S)nc2cnccc21)c1ccccn1 ZINC001227885055 817743884 /nfs/dbraw/zinc/74/38/84/817743884.db2.gz KSQBCLVIYXWSKM-VIFPVBQESA-N -1 1 284.344 3.222 20 0 CGADMM COc1ccccc1[C@@H](C)Oc1cc(=O)[n-]c(SC)n1 ZINC001228090167 817808954 /nfs/dbraw/zinc/80/89/54/817808954.db2.gz JQRASZVIJRPYOL-SECBINFHSA-N -1 1 292.360 3.053 20 0 CGADMM C[C@H](Oc1[n-]c(=S)nc2ccccc21)c1cccnc1 ZINC001228759929 818001675 /nfs/dbraw/zinc/00/16/75/818001675.db2.gz HJHCPNKHWZQFKH-JTQLQIEISA-N -1 1 283.356 3.454 20 0 CGADMM S=c1nc2ccccc2c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)[n-]1 ZINC001228763438 818001939 /nfs/dbraw/zinc/00/19/39/818001939.db2.gz AMDYUEOJWRGXAO-OPQQBVKSSA-N -1 1 270.357 3.262 20 0 CGADMM COC1=CC[C@H](Oc2[n-]c(=S)nc3ccccc32)CC1 ZINC001228767420 818003739 /nfs/dbraw/zinc/00/37/39/818003739.db2.gz ZHTJVTWJRPFVSR-NSHDSACASA-N -1 1 288.372 3.380 20 0 CGADMM C[C@]1(F)CCN(Cc2ccc(Cl)c([O-])c2)C[C@H]1F ZINC001231733432 818162149 /nfs/dbraw/zinc/16/21/49/818162149.db2.gz UCDFDNGCMOTGGR-OLZOCXBDSA-N -1 1 275.726 3.318 20 0 CGADMM C[C@@H]1c2cccn2CCN1Cc1ccc(Cl)c([O-])c1 ZINC001231737418 818164124 /nfs/dbraw/zinc/16/41/24/818164124.db2.gz QJDAZOCWMJIEPN-LLVKDONJSA-N -1 1 276.767 3.424 20 0 CGADMM Cc1nc2c(s1)CN(Cc1ccc(Cl)c([O-])c1)CC2 ZINC001231734051 818164466 /nfs/dbraw/zinc/16/44/66/818164466.db2.gz OWZXHTHSJVMPOY-UHFFFAOYSA-N -1 1 294.807 3.369 20 0 CGADMM O=C1CCN(Cc2cc([O-])c(F)c(F)c2)[C@H]2CCCC[C@@H]12 ZINC001232969529 818485984 /nfs/dbraw/zinc/48/59/84/818485984.db2.gz RXSZHRUCFASPPY-YPMHNXCESA-N -1 1 295.329 3.004 20 0 CGADMM FC1(F)CC2(CN(Cc3ccc([S-])cc3)C2)C1 ZINC001233258938 818557923 /nfs/dbraw/zinc/55/79/23/818557923.db2.gz ZQBJWJBLQHQXLK-UHFFFAOYSA-N -1 1 255.333 3.206 20 0 CGADMM Cc1cc(C(N)=O)cc(C)c1-c1ccc([O-])c(F)c1F ZINC001243340874 823354421 /nfs/dbraw/zinc/35/44/21/823354421.db2.gz IMJASYNDRITWIW-UHFFFAOYSA-N -1 1 277.270 3.053 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C)c1cnccn1 ZINC001233650655 818669827 /nfs/dbraw/zinc/66/98/27/818669827.db2.gz OQQBNGJPUSIKMZ-NSHDSACASA-N -1 1 286.331 3.305 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@H](CC)COC ZINC001233649969 818670029 /nfs/dbraw/zinc/67/00/29/818670029.db2.gz GLFRUFDTEQRSDB-GFCCVEGCSA-N -1 1 266.337 3.179 20 0 CGADMM CCOC(=O)c1cc(C)nc(-c2ccc([O-])c(F)c2F)c1 ZINC001243341120 823356057 /nfs/dbraw/zinc/35/60/57/823356057.db2.gz CMOFIGXDAMPKTA-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COC(=O)c1cccc(-c2ccc([O-])c(F)c2F)c1OC ZINC001243342668 823357034 /nfs/dbraw/zinc/35/70/34/823357034.db2.gz NWZUABGCQBTMBF-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM CCOc1ncccc1-c1ccc([O-])c(F)c1F ZINC001243342656 823357062 /nfs/dbraw/zinc/35/70/62/823357062.db2.gz NLALULBPWNHIHV-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM COc1ccnc2cc(-c3ccc([O-])c(F)c3F)cnc21 ZINC001243343609 823358284 /nfs/dbraw/zinc/35/82/84/823358284.db2.gz JGXRBEJJBOQJCY-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM CC1(C)CNc2cc(-c3ccc([O-])c(F)c3F)cnc21 ZINC001243345961 823360323 /nfs/dbraw/zinc/36/03/23/823360323.db2.gz XOUTYOHTQQQFAG-UHFFFAOYSA-N -1 1 276.286 3.436 20 0 CGADMM CC[C@@H]1CCCC[C@H]1Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234611182 818891082 /nfs/dbraw/zinc/89/10/82/818891082.db2.gz ZXLWDRVPSCMDRY-BXKDBHETSA-N -1 1 297.326 3.061 20 0 CGADMM c1cc2[n-]c(O[C@H]3COCc4ccccc43)nc2s1 ZINC001234849136 818933055 /nfs/dbraw/zinc/93/30/55/818933055.db2.gz YOFUSEGHIURWFH-LBPRGKRZSA-N -1 1 272.329 3.275 20 0 CGADMM Cc1ccc(F)c(-c2cc(C(F)(F)F)cnn2)c1[O-] ZINC001236392008 819447084 /nfs/dbraw/zinc/44/70/84/819447084.db2.gz JYRPFPWGJUJSRP-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM Cc1ccc(F)c(-c2nccc3ccncc32)c1[O-] ZINC001236394618 819449941 /nfs/dbraw/zinc/44/99/41/819449941.db2.gz YIQKFAPRKQQTGW-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM O=c1ccc(-c2cc(F)cc(F)c2[O-])cn1C1CCC1 ZINC001243507082 823424687 /nfs/dbraw/zinc/42/46/87/823424687.db2.gz SAHYYWJGUWSJOS-UHFFFAOYSA-N -1 1 277.270 3.224 20 0 CGADMM Cn1ccc2c1nccc2-c1cc(F)cc(F)c1[O-] ZINC001243504180 823422364 /nfs/dbraw/zinc/42/23/64/823422364.db2.gz JIRNOLQPRAOGTQ-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM COc1cc(OC)c(-c2cc(F)cc(F)c2[O-])c(OC)c1 ZINC001243503977 823422760 /nfs/dbraw/zinc/42/27/60/823422760.db2.gz IROQJEWHZVWQGN-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM O=c1ccc(-c2cc(F)cc(F)c2[O-])cn1-c1ccccc1 ZINC001243505283 823423182 /nfs/dbraw/zinc/42/31/82/823423182.db2.gz QKPYPGCLRBPQMQ-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)cc(F)c2[O-])cc1F ZINC001243505295 823423509 /nfs/dbraw/zinc/42/35/09/823423509.db2.gz ZBCCBMNSVHARRA-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM Cc1nc2c(ncc(-c3cc(F)cc(F)c3[O-])c2C)[nH]1 ZINC001243506655 823424018 /nfs/dbraw/zinc/42/40/18/823424018.db2.gz HQPHONFRMGBUJD-UHFFFAOYSA-N -1 1 275.258 3.226 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1CN1CCc2c(F)cccc2C1 ZINC001238145997 819942143 /nfs/dbraw/zinc/94/21/43/819942143.db2.gz SCDFIYNOICPMDA-UHFFFAOYSA-N -1 1 299.345 3.391 20 0 CGADMM Cc1nc2ccc(-c3ccc(Cl)c([O-])c3)nc2[nH]1 ZINC001243576381 823451241 /nfs/dbraw/zinc/45/12/41/823451241.db2.gz MVYDRGDMFLIGKV-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM COC(=O)c1ccnc(-c2ccc(Cl)c([O-])c2)c1F ZINC001243576699 823451578 /nfs/dbraw/zinc/45/15/78/823451578.db2.gz KYXOPUMTNFAVMT-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM COCOc1cnc(F)cc1-c1ccc(Cl)c([O-])c1 ZINC001243577968 823452055 /nfs/dbraw/zinc/45/20/55/823452055.db2.gz HYUYWNLBLITJAO-UHFFFAOYSA-N -1 1 283.686 3.229 20 0 CGADMM Cc1noc(-c2ccnc(-c3ccc(Cl)c([O-])c3)c2)n1 ZINC001243578198 823452344 /nfs/dbraw/zinc/45/23/44/823452344.db2.gz CKVJFNVZGZJYTA-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM O=c1c(-c2ccc(Cl)c([O-])c2)ccnn1-c1ccccc1 ZINC001243581553 823454433 /nfs/dbraw/zinc/45/44/33/823454433.db2.gz IEBWKBIRRVTHIF-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM COC(=O)c1ncc(F)cc1-c1ccc(Cl)c([O-])c1 ZINC001243583076 823455020 /nfs/dbraw/zinc/45/50/20/823455020.db2.gz IDMLAVYBCLQPJJ-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM NC(=O)c1cnc2cc(-c3ccc(Cl)c([O-])c3)ccc2c1 ZINC001243583283 823455073 /nfs/dbraw/zinc/45/50/73/823455073.db2.gz ZOBNDAMOQPMZSL-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM COc1nnc(-c2ccc(C(F)(F)F)cc2[O-])cc1C ZINC001243606411 823464934 /nfs/dbraw/zinc/46/49/34/823464934.db2.gz JPJKEJHJLVQHSE-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM Cn1ccc2ncnc(-c3ccc(C(F)(F)F)cc3[O-])c21 ZINC001243609448 823466491 /nfs/dbraw/zinc/46/64/91/823466491.db2.gz ULLPUVONOUSAIY-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM COC(=O)c1nc2ccc(-c3c(C)cccc3C)[n-]c-2n1 ZINC001239598693 820445052 /nfs/dbraw/zinc/44/50/52/820445052.db2.gz ZXBLDUUUMSDJFC-UHFFFAOYSA-N -1 1 281.315 3.028 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(OC)cc3C)ccc2[n-]1 ZINC001239826193 820642838 /nfs/dbraw/zinc/64/28/38/820642838.db2.gz QAARCGQYTPNMJK-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(OC)cc3C)cc2[n-]1 ZINC001239826193 820642843 /nfs/dbraw/zinc/64/28/43/820642843.db2.gz QAARCGQYTPNMJK-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM CC(C)COc1cnc(-c2cc(F)ccc2[O-])cn1 ZINC001240697262 821253291 /nfs/dbraw/zinc/25/32/91/821253291.db2.gz BMJGAYHBJDELKQ-UHFFFAOYSA-N -1 1 262.284 3.023 20 0 CGADMM Cc1nc(-c2ccc([O-])c(F)c2)cc(C(F)(F)F)n1 ZINC001240782582 821322292 /nfs/dbraw/zinc/32/22/92/821322292.db2.gz BBCKQHBUZXJDKA-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM [O-]c1ccc(-c2ncnc(-c3cccc(F)c3)n2)cc1F ZINC001240783315 821322742 /nfs/dbraw/zinc/32/27/42/821322742.db2.gz UMDHSHGGMWDPIT-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM CC(C)c1cc(-c2c(F)cc([O-])cc2F)nc(N(C)C)n1 ZINC001241118764 821574224 /nfs/dbraw/zinc/57/42/24/821574224.db2.gz GAZDBALRKZSUDI-UHFFFAOYSA-N -1 1 293.317 3.317 20 0 CGADMM CCSc1cncc(-c2c(F)cc([O-])cc2F)n1 ZINC001241119055 821574974 /nfs/dbraw/zinc/57/49/74/821574974.db2.gz DMTOUBQRRZMDQC-UHFFFAOYSA-N -1 1 268.288 3.239 20 0 CGADMM [O-]c1cc(F)c(-c2cnc(OCC3CCC3)nc2)c(F)c1 ZINC001241121639 821577267 /nfs/dbraw/zinc/57/72/67/821577267.db2.gz PEGTUCRSOMVGNT-UHFFFAOYSA-N -1 1 292.285 3.306 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3nsnc32)c(F)c1 ZINC001241120785 821577450 /nfs/dbraw/zinc/57/74/50/821577450.db2.gz KZNMMGYDSPKRED-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM COc1cncc(-c2c(F)cc([O-])cc2F)c1C ZINC001241120992 821577716 /nfs/dbraw/zinc/57/77/16/821577716.db2.gz WXKDRNKGJXUYFS-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COC(=O)c1c(F)cccc1-c1c(F)cc([O-])cc1F ZINC001241122354 821578362 /nfs/dbraw/zinc/57/83/62/821578362.db2.gz ATZLOEAOZHNRAC-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COCCOc1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241122589 821578724 /nfs/dbraw/zinc/57/87/24/821578724.db2.gz UHIYOWNSUNSIAG-UHFFFAOYSA-N -1 1 280.270 3.363 20 0 CGADMM [O-]c1cc(F)c(-c2cnc(OC3CCC3)cn2)c(F)c1 ZINC001241122194 821579199 /nfs/dbraw/zinc/57/91/99/821579199.db2.gz WKUDCTLCIMGXEH-UHFFFAOYSA-N -1 1 278.258 3.059 20 0 CGADMM C[S@](=N)(=O)c1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241122993 821580235 /nfs/dbraw/zinc/58/02/35/821580235.db2.gz QKPGOAHHXGJETF-IBGZPJMESA-N -1 1 283.299 3.373 20 0 CGADMM COc1cc(-c2c(F)cc([O-])cc2F)c2cc[nH]c2n1 ZINC001241124789 821581316 /nfs/dbraw/zinc/58/13/16/821581316.db2.gz NSNOABKRCFBOMY-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM [O-]c1cc(F)cc(-c2ncc(-c3cccnc3)cn2)c1 ZINC001241262130 821680797 /nfs/dbraw/zinc/68/07/97/821680797.db2.gz WJURMDSDLPVLQF-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM Cc1[nH]c2c(ncnc2-c2c(F)ccc([O-])c2F)c1C ZINC001241289336 821706267 /nfs/dbraw/zinc/70/62/67/821706267.db2.gz QSXAEIBMLMNZDJ-UHFFFAOYSA-N -1 1 275.258 3.226 20 0 CGADMM CCc1cc(CC)nc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290984 821707612 /nfs/dbraw/zinc/70/76/12/821707612.db2.gz GMMRMWRAFGIHNW-UHFFFAOYSA-N -1 1 264.275 3.252 20 0 CGADMM COc1cnc(-c2c(F)ccc([O-])c2F)cc1C ZINC001241291394 821707862 /nfs/dbraw/zinc/70/78/62/821707862.db2.gz OEPWMYDCZHRRPD-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CC(C)c1ccc(-c2c(F)ccc([O-])c2F)nn1 ZINC001241291919 821709476 /nfs/dbraw/zinc/70/94/76/821709476.db2.gz XYZAURVVXCPPQR-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM Cc1nc(-c2cc(C(F)(F)F)ccc2[O-])cc(N(C)C)n1 ZINC001242125974 822886224 /nfs/dbraw/zinc/88/62/24/822886224.db2.gz DGOSEDWUNQPKHT-UHFFFAOYSA-N -1 1 297.280 3.242 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ccc2nc[nH]c2n1 ZINC001242126624 822886924 /nfs/dbraw/zinc/88/69/24/822886924.db2.gz PFAHZWHJCOXRFQ-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM Cn1cnc2ccnc(-c3cc(C(F)(F)F)ccc3[O-])c21 ZINC001242131912 822888296 /nfs/dbraw/zinc/88/82/96/822888296.db2.gz MLZHMVMKXMILBL-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1cc2cncnc2cn1 ZINC001242131182 822888328 /nfs/dbraw/zinc/88/83/28/822888328.db2.gz FSNVUULOZVDXLX-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM COc1cc(C)c(-c2cc(C(F)(F)F)ccc2[O-])nn1 ZINC001242132722 822889610 /nfs/dbraw/zinc/88/96/10/822889610.db2.gz ZLHVLDPDZLNJFA-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM COc1cc(-c2ccc([O-])c(C(F)(F)F)c2)nc(C)n1 ZINC001242151290 822895787 /nfs/dbraw/zinc/89/57/87/822895787.db2.gz JDNDNXZLFZFFPP-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM Cc1nc(-c2ccc([O-])c(C(F)(F)F)c2)ncc1F ZINC001242151249 822896279 /nfs/dbraw/zinc/89/62/79/822896279.db2.gz INNQSORREHRQKI-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM COc1nnc(-c2ccc([O-])c(C(F)(F)F)c2)cc1C ZINC001242153108 822896781 /nfs/dbraw/zinc/89/67/81/822896781.db2.gz QREHYHXCMZQKQU-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM Cn1c(=O)c(-c2ccc(F)cc2[O-])cc2ccccc21 ZINC001242221984 822917333 /nfs/dbraw/zinc/91/73/33/822917333.db2.gz ZJFKFLRXXXYVPW-UHFFFAOYSA-N -1 1 269.275 3.050 20 0 CGADMM COc1cc(C(F)(F)F)nc(-c2cccc(C)c2[O-])n1 ZINC001242345251 822957852 /nfs/dbraw/zinc/95/78/52/822957852.db2.gz MLHLIZOVGXUJRT-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM CS(=O)(=O)Cc1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242365582 822968636 /nfs/dbraw/zinc/96/86/36/822968636.db2.gz FXIMTRLVILZLKP-UHFFFAOYSA-N -1 1 296.775 3.257 20 0 CGADMM Cc1cc(-c2nn[nH]n2)ccc1-c1cccc(Cl)c1[O-] ZINC001242367611 822969495 /nfs/dbraw/zinc/96/94/95/822969495.db2.gz OTYPSSJNBZNJCS-UHFFFAOYSA-N -1 1 286.722 3.201 20 0 CGADMM COCCOc1ccc(-c2cccc(Cl)c2[O-])cn1 ZINC001242366980 822969611 /nfs/dbraw/zinc/96/96/11/822969611.db2.gz FSLGDPUVYXKAPG-UHFFFAOYSA-N -1 1 279.723 3.133 20 0 CGADMM O=C1Nc2ncc(-c3cccc(Cl)c3[O-])cc2C12CC2 ZINC001242366891 822969801 /nfs/dbraw/zinc/96/98/01/822969801.db2.gz CPNAKDIIMFLNQE-UHFFFAOYSA-N -1 1 286.718 3.091 20 0 CGADMM [O-]c1c(Cl)cccc1-c1cccc(-c2nc[nH]n2)c1 ZINC001242368085 822970029 /nfs/dbraw/zinc/97/00/29/822970029.db2.gz WGJRBZSBAPHZHN-UHFFFAOYSA-N -1 1 271.707 3.498 20 0 CGADMM NC(=O)c1ccc(-c2cccc(Cl)c2[O-])c2cc[nH]c21 ZINC001242368244 822970276 /nfs/dbraw/zinc/97/02/76/822970276.db2.gz ZYPNHBHVDKHHTR-UHFFFAOYSA-N -1 1 286.718 3.293 20 0 CGADMM CC(F)(F)CN[C@@H]1CCC[C@@H](CCCC(=O)[O-])C1 ZINC001592944272 980020402 /nfs/dbraw/zinc/02/04/02/980020402.db2.gz WKRLOLWTEGMJOD-WDEREUQCSA-N -1 1 263.328 3.045 20 0 CGADMM C[C@@]1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C=CCC1 ZINC001351163028 937009765 /nfs/dbraw/zinc/00/97/65/937009765.db2.gz AUZOTNCADSNWLU-MRXNPFEDSA-N -1 1 283.331 3.077 20 0 CGADMM CC(C)c1ccc([C@@H](C)CC(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001364513062 937233288 /nfs/dbraw/zinc/23/32/88/937233288.db2.gz SRUFIYDGMMQAFR-NSHDSACASA-N -1 1 287.363 3.371 20 0 CGADMM Cc1cnc(SCC2([C@@H]3CCCCO3)CCC2)[n-]c1=O ZINC001364612140 937233648 /nfs/dbraw/zinc/23/36/48/937233648.db2.gz APOXSYUDDORDAZ-LBPRGKRZSA-N -1 1 294.420 3.322 20 0 CGADMM O=C(N[C@H](c1ccccc1)C1CCC1)c1ncccc1[O-] ZINC001443595209 937347632 /nfs/dbraw/zinc/34/76/32/937347632.db2.gz BTFIXKDEKXQFHO-OAHLLOKOSA-N -1 1 282.343 3.058 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccc2c(c1)CCC2 ZINC001450905860 937387522 /nfs/dbraw/zinc/38/75/22/937387522.db2.gz XGSILKDTQANUTP-UHFFFAOYSA-N -1 1 289.281 3.411 20 0 CGADMM O=C(Nc1ccc2c(c1)C=CCCC2)c1cncc([O-])c1 ZINC001453534056 937403412 /nfs/dbraw/zinc/40/34/12/937403412.db2.gz IYVKQLYCSPJQHL-UHFFFAOYSA-N -1 1 280.327 3.389 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1C[C@@H]1C1CCCC1 ZINC001455451727 937417708 /nfs/dbraw/zinc/41/77/08/937417708.db2.gz PWXJWYOYSKCZLY-CHWSQXEVSA-N -1 1 293.794 3.488 20 0 CGADMM CCc1ccc2c(c1)CN(C(=O)c1cccc([O-])c1F)CC2 ZINC001457367058 937441419 /nfs/dbraw/zinc/44/14/19/937441419.db2.gz AMBXFHXTUVLAJQ-UHFFFAOYSA-N -1 1 299.345 3.292 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(CF)cc1 ZINC001457717114 937444679 /nfs/dbraw/zinc/44/46/79/937444679.db2.gz WHJIXTNMHRTDOG-UHFFFAOYSA-N -1 1 263.243 3.253 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccc(F)cc2[O-])c(=O)[nH]1 ZINC001457714178 937444989 /nfs/dbraw/zinc/44/49/89/937444989.db2.gz GEMZBFPYOAXRGE-UHFFFAOYSA-N -1 1 290.294 3.008 20 0 CGADMM CC1CC(CSc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC001459109215 937480269 /nfs/dbraw/zinc/48/02/69/937480269.db2.gz IQZVKSFDDQUENF-UHFFFAOYSA-N -1 1 260.309 3.258 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(F)c([O-])c2)[C@@H]2CCCC[C@H]21 ZINC001546120173 937553195 /nfs/dbraw/zinc/55/31/95/937553195.db2.gz FCTSEVRXXBBKCQ-SCDSUCTJSA-N -1 1 277.339 3.182 20 0 CGADMM CCOC(=O)[C@H](CC)Oc1cc([O-])c(Cl)cc1Cl ZINC001229406457 932145983 /nfs/dbraw/zinc/14/59/83/932145983.db2.gz VNGOVDPFMWECID-JTQLQIEISA-N -1 1 293.146 3.420 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@H]1CCc2cccnc21 ZINC001229474368 932157377 /nfs/dbraw/zinc/15/73/77/932157377.db2.gz CRKPMJOMPUGMIT-HNNXBMFYSA-N -1 1 283.327 3.446 20 0 CGADMM COC(=O)c1c[n-]c(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 ZINC001230280010 932550949 /nfs/dbraw/zinc/55/09/49/932550949.db2.gz LBFPTMMSEABUJB-NTZNESFSSA-N -1 1 280.368 3.036 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](C)CCCC(C)C)c1 ZINC001463949201 937683780 /nfs/dbraw/zinc/68/37/80/937683780.db2.gz QMGFXWZBQJQZLI-ZDUSSCGKSA-N -1 1 291.391 3.458 20 0 CGADMM CCc1cccc2c1N(C(=O)c1ccc(F)c([O-])c1)CC2 ZINC001464345599 937688903 /nfs/dbraw/zinc/68/89/03/937688903.db2.gz NQOJDVKCCFUFFY-UHFFFAOYSA-N -1 1 285.318 3.297 20 0 CGADMM CCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C)C ZINC001464353465 937689734 /nfs/dbraw/zinc/68/97/34/937689734.db2.gz ZKPYLJKJWKLESJ-UHFFFAOYSA-N -1 1 275.270 3.282 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@H]1C ZINC001465401935 937700329 /nfs/dbraw/zinc/70/03/29/937700329.db2.gz VWVSKAXUGFQCBC-DTORHVGOSA-N -1 1 287.281 3.139 20 0 CGADMM CCSCC[C@@H](C)N(C)C(=O)c1ccc(F)c([O-])c1 ZINC001465402035 937700484 /nfs/dbraw/zinc/70/04/84/937700484.db2.gz YYPPZLRXTYQJSJ-SNVBAGLBSA-N -1 1 285.384 3.135 20 0 CGADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc(C)n1 ZINC001466225801 937707137 /nfs/dbraw/zinc/70/71/37/937707137.db2.gz VPSFXKBSCZTHNE-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001467907941 937722949 /nfs/dbraw/zinc/72/29/49/937722949.db2.gz MWUCDKYGUGGJOW-MSRIBSCDSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CC2CCC1CC2 ZINC001469159945 937735943 /nfs/dbraw/zinc/73/59/43/937735943.db2.gz HQCQHDCBPWDMOH-AMUVOQDHSA-N -1 1 281.302 3.435 20 0 CGADMM CC[C@H](C)[C@@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001469159114 937736010 /nfs/dbraw/zinc/73/60/10/937736010.db2.gz AIUKUZOFLSSRHT-JGVFFNPUSA-N -1 1 257.280 3.291 20 0 CGADMM CSc1cc(NC(=O)c2ccc(O)cc2[O-])ccc1C ZINC001469736573 937743089 /nfs/dbraw/zinc/74/30/89/937743089.db2.gz XDOHRKPIWFPQNM-UHFFFAOYSA-N -1 1 289.356 3.380 20 0 CGADMM CC[C@H](C)CCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001469930000 937745840 /nfs/dbraw/zinc/74/58/40/937745840.db2.gz AKCBLUXNSRTPCD-JTQLQIEISA-N -1 1 290.338 3.246 20 0 CGADMM O=C(NOc1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC001469937469 937745998 /nfs/dbraw/zinc/74/59/98/937745998.db2.gz NFQURSJIXRKJTB-UHFFFAOYSA-N -1 1 297.285 3.408 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CC[C@@H]1c1ccc(F)cc1 ZINC001469938201 937746009 /nfs/dbraw/zinc/74/60/09/937746009.db2.gz UJAILVLCXDFQNG-CYBMUJFWSA-N -1 1 289.281 3.258 20 0 CGADMM CN(C(=O)c1cccc([O-])c1F)c1cccc2cc[nH]c21 ZINC001470984583 937760064 /nfs/dbraw/zinc/76/00/64/937760064.db2.gz DPRGCIBNGOBJCR-UHFFFAOYSA-N -1 1 284.290 3.289 20 0 CGADMM O=C(NC[C@H]1CCCC1(F)F)c1c([O-])cccc1Cl ZINC001324525345 934520031 /nfs/dbraw/zinc/52/00/31/934520031.db2.gz VWVRLWTVTHKRFJ-MRVPVSSYSA-N -1 1 289.709 3.211 20 0 CGADMM Cc1oc(CN(C)CCOC2CCCCC2)cc1C(=O)[O-] ZINC001334824505 936117474 /nfs/dbraw/zinc/11/74/74/936117474.db2.gz ZQTSRGPMVULMPC-UHFFFAOYSA-N -1 1 295.379 3.067 20 0 CGADMM C[C@@H](OC1CCCCC1)C(=O)Nc1cc([O-])c(F)cc1F ZINC001334998744 936125943 /nfs/dbraw/zinc/12/59/43/936125943.db2.gz VKUFXGYHTGBHMD-SECBINFHSA-N -1 1 299.317 3.347 20 0 CGADMM CC[C@@H]1COC(C)(C)CN1Cc1ccc([O-])c(F)c1F ZINC001474615644 937870806 /nfs/dbraw/zinc/87/08/06/937870806.db2.gz GEJQWZHCKGIUAA-LLVKDONJSA-N -1 1 285.334 3.060 20 0 CGADMM O=C(Cc1ccc(C2CCC2)cc1)[N-]O[C@@H]1CCCCO1 ZINC001520931084 938028731 /nfs/dbraw/zinc/02/87/31/938028731.db2.gz QSQMZTPPQJWKJZ-QGZVFWFLSA-N -1 1 289.375 3.071 20 0 CGADMM CCCCCC[C@H](C)C(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC001525797050 938051562 /nfs/dbraw/zinc/05/15/62/938051562.db2.gz HFJLVXJYDUEGMQ-NSHDSACASA-N -1 1 295.383 3.131 20 0 CGADMM CCCCCC[C@H](C)C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001525797050 938051563 /nfs/dbraw/zinc/05/15/63/938051563.db2.gz HFJLVXJYDUEGMQ-NSHDSACASA-N -1 1 295.383 3.131 20 0 CGADMM CCOc1nc(C(=O)[N-]c2ccc(F)cc2SC)co1 ZINC001529660890 938074265 /nfs/dbraw/zinc/07/42/65/938074265.db2.gz RSMVKPPGDLNSOH-UHFFFAOYSA-N -1 1 296.323 3.187 20 0 CGADMM CCc1ncoc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC001535339690 938100335 /nfs/dbraw/zinc/10/03/35/938100335.db2.gz TWYQOBSVWAGQRA-UHFFFAOYSA-N -1 1 286.665 3.421 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001538542057 938118688 /nfs/dbraw/zinc/11/86/88/938118688.db2.gz MXOPIHLWZMKQOM-VXGBXAGGSA-N -1 1 277.339 3.184 20 0 CGADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(F)c([O-])c2)C1 ZINC001540604678 938132301 /nfs/dbraw/zinc/13/23/01/938132301.db2.gz BDZHYKHFEMMCGU-CMPLNLGQSA-N -1 1 265.328 3.182 20 0 CGADMM CCCN(CC(C)C)C(=O)c1ccc(F)c([O-])c1 ZINC001540620851 938132603 /nfs/dbraw/zinc/13/26/03/938132603.db2.gz IKHOHZNRVURCQE-UHFFFAOYSA-N -1 1 253.317 3.040 20 0 CGADMM CC1CCC(C)(NC(=O)c2cc(F)ccc2[O-])CC1 ZINC001542703914 938136845 /nfs/dbraw/zinc/13/68/45/938136845.db2.gz HZMGNSCSOFZYCI-UHFFFAOYSA-N -1 1 265.328 3.230 20 0 CGADMM CCC[C@H](NC(=O)c1ccc(F)c([O-])c1)c1ccccn1 ZINC001543046828 938137652 /nfs/dbraw/zinc/13/76/52/938137652.db2.gz RVOINFCFFNQWFM-AWEZNQCLSA-N -1 1 288.322 3.198 20 0 CGADMM O=C([N-]c1cc(F)c(F)cc1F)c1c(F)cncc1F ZINC001543190805 938138196 /nfs/dbraw/zinc/13/81/96/938138196.db2.gz VGEIKUHRVVQSNH-UHFFFAOYSA-N -1 1 288.175 3.029 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc(F)c([O-])c2)[C@@H]1c1ccccc1 ZINC001544814767 938147154 /nfs/dbraw/zinc/14/71/54/938147154.db2.gz PVJVAFOZRZGFRF-ZBEGNZNMSA-N -1 1 285.318 3.365 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1C[C@@H](C2CC2)C[C@@H]1C1CC1 ZINC001551064450 938175843 /nfs/dbraw/zinc/17/58/43/938175843.db2.gz UYGYCQBIQWNMCC-BLLLJJGKSA-N -1 1 289.350 3.182 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCCCC2(CCC2)C1 ZINC001551633118 938183247 /nfs/dbraw/zinc/18/32/47/938183247.db2.gz WOGVSGFVUADMEV-UHFFFAOYSA-N -1 1 277.339 3.328 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCCC12CCOCC2 ZINC001553605706 938200016 /nfs/dbraw/zinc/20/00/16/938200016.db2.gz GCCOCIJZBTVESP-NSHDSACASA-N -1 1 293.338 3.067 20 0 CGADMM COc1cc(NC(=O)c2ccc(F)c([O-])c2)ccc1Cl ZINC001556406374 938203633 /nfs/dbraw/zinc/20/36/33/938203633.db2.gz FIIZNPLJCKWUON-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CCC[C@H](NC(=O)c1cc(C)cc(C=O)c1[O-])C(C)(C)C ZINC001556658459 938204825 /nfs/dbraw/zinc/20/48/25/938204825.db2.gz AOXOODYXCJLBHD-AWEZNQCLSA-N -1 1 291.391 3.458 20 0 CGADMM O=C(N[C@@H]1CCCCC12CCCC2)c1ccc([O-])cn1 ZINC001556819753 938205983 /nfs/dbraw/zinc/20/59/83/938205983.db2.gz CCSCCZJWTDLUHR-CQSZACIVSA-N -1 1 274.364 3.020 20 0 CGADMM C[C@H](CC(=O)Nc1cc([O-])c(F)cc1F)n1cccc1 ZINC001556919790 938206555 /nfs/dbraw/zinc/20/65/55/938206555.db2.gz PZMFGJPSIKHADV-SECBINFHSA-N -1 1 280.274 3.062 20 0 CGADMM O=C(Cc1cccc(F)c1F)Nc1cc(F)cc(F)c1[O-] ZINC001557086670 938207733 /nfs/dbraw/zinc/20/77/33/938207733.db2.gz ZLVAIFOCFRYNJT-UHFFFAOYSA-N -1 1 299.223 3.130 20 0 CGADMM CCc1ccncc1NC(=O)c1cc(SC)ccc1[O-] ZINC001557362506 938209534 /nfs/dbraw/zinc/20/95/34/938209534.db2.gz SNUZQSYAQMJDNY-UHFFFAOYSA-N -1 1 288.372 3.324 20 0 CGADMM Cc1ccccc1N(C)C(=O)c1ccc(F)c([O-])c1 ZINC001557627191 938211239 /nfs/dbraw/zinc/21/12/39/938211239.db2.gz ODNBTXNUJSHSIE-UHFFFAOYSA-N -1 1 259.280 3.116 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1Cc2ccc(Cl)cc21 ZINC001557957509 938212672 /nfs/dbraw/zinc/21/26/72/938212672.db2.gz UWTQEPKICWQKEK-LLVKDONJSA-N -1 1 291.709 3.463 20 0 CGADMM C[C@H]1CCC[C@@H](C2CN(C(=O)c3ccc([O-])c(F)c3)C2)C1 ZINC001558020643 938213185 /nfs/dbraw/zinc/21/31/85/938213185.db2.gz SKLLIERLQSKHOQ-NWDGAFQWSA-N -1 1 291.366 3.430 20 0 CGADMM C[C@H](Cc1cccc(F)c1)C(=O)[N-]Oc1ccccc1F ZINC001558228079 938214355 /nfs/dbraw/zinc/21/43/55/938214355.db2.gz ZOSYONQVSAFVRE-LLVKDONJSA-N -1 1 291.297 3.254 20 0 CGADMM O=C(Nc1cncc(C(F)(F)F)c1)c1ccccc1[O-] ZINC001558821811 938217854 /nfs/dbraw/zinc/21/78/54/938217854.db2.gz LYXMFEJLRGALCH-UHFFFAOYSA-N -1 1 282.221 3.058 20 0 CGADMM O=C([O-])c1ccc(CN2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001595227536 949322454 /nfs/dbraw/zinc/32/24/54/949322454.db2.gz VNBCDTPFUVLZKY-MRXNPFEDSA-N -1 1 285.318 3.471 20 0 CGADMM O=C([O-])c1cccc(CNCc2sccc2Cl)c1 ZINC001595244790 949503721 /nfs/dbraw/zinc/50/37/21/949503721.db2.gz OYWYHAPPDYXARY-UHFFFAOYSA-N -1 1 281.764 3.390 20 0 CGADMM C[C@@](NCc1ccc(F)cc1F)(C(=O)[O-])c1ccccc1 ZINC000051018131 957502255 /nfs/dbraw/zinc/50/22/55/957502255.db2.gz GUDWUKUIJXWUCZ-INIZCTEOSA-N -1 1 291.297 3.054 20 0 CGADMM Cc1ccc(CNCc2ccccc2C(=O)[O-])c(F)c1 ZINC001594362659 958463847 /nfs/dbraw/zinc/46/38/47/958463847.db2.gz XPIJIBFLAQOPQB-UHFFFAOYSA-N -1 1 273.307 3.122 20 0 CGADMM Cc1ccc2[nH]c(NCc3cccc(C(=O)[O-])c3)nc2c1 ZINC001594381184 958622494 /nfs/dbraw/zinc/62/24/94/958622494.db2.gz ANXGSQARQMKDPO-UHFFFAOYSA-N -1 1 281.315 3.182 20 0 CGADMM O=C([O-])[C@@H](NCc1ccc(F)cc1)c1ccccc1Cl ZINC000211415397 959685455 /nfs/dbraw/zinc/68/54/55/959685455.db2.gz FKNFBXHOGMQDIX-AWEZNQCLSA-N -1 1 293.725 3.395 20 0 CGADMM CC1(CNC(=O)c2ccc(F)c([O-])c2)Cc2ccccc2C1 ZINC001566418151 960928979 /nfs/dbraw/zinc/92/89/79/960928979.db2.gz OPURHUHMRAEIAW-UHFFFAOYSA-N -1 1 299.345 3.066 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)c([O-])c1 ZINC001566882964 961043141 /nfs/dbraw/zinc/04/31/41/961043141.db2.gz DFCRRIWHEBGZEU-LRDDRELGSA-N -1 1 296.370 3.149 20 0 CGADMM Cc1cccc2c1CC(C)(C)N(C(=O)c1ccc([O-])cn1)C2 ZINC001569449380 961770950 /nfs/dbraw/zinc/77/09/50/961770950.db2.gz DMWMBKANHYQGSI-UHFFFAOYSA-N -1 1 296.370 3.073 20 0 CGADMM CC(C)c1scnc1NC(=O)c1ccc([O-])c(F)c1 ZINC001569883222 961865621 /nfs/dbraw/zinc/86/56/21/961865621.db2.gz WKWRYOZPPXOTLI-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM Cc1ccc(CC(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001570102291 961908981 /nfs/dbraw/zinc/90/89/81/961908981.db2.gz YXLTWTFRPQAEHJ-UHFFFAOYSA-N -1 1 277.270 3.160 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001570465555 961978965 /nfs/dbraw/zinc/97/89/65/961978965.db2.gz DSYMHAONNKDRBJ-INTQDDNPSA-N -1 1 281.302 3.435 20 0 CGADMM CSc1cc(Cl)ccc1[N-]C(=O)c1n[nH]cc1F ZINC001584248123 962904809 /nfs/dbraw/zinc/90/48/09/962904809.db2.gz KXUCMZRDFJUVHM-UHFFFAOYSA-N -1 1 285.731 3.176 20 0 CGADMM CC1(C)CCC[C@@H]1CCNC(=O)c1cccc([O-])c1F ZINC001585390945 963010587 /nfs/dbraw/zinc/01/05/87/963010587.db2.gz BTOCURXAJOMNTK-LLVKDONJSA-N -1 1 279.355 3.478 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2cccc([O-])c2F)[C@H](C)C1 ZINC001586187429 963075210 /nfs/dbraw/zinc/07/52/10/963075210.db2.gz FUCWZXSWPRAQEJ-FOGDFJRCSA-N -1 1 265.328 3.086 20 0 CGADMM CC(C)(F)CNC(=O)c1cc2ccccc2cc1[O-] ZINC001586789586 963137219 /nfs/dbraw/zinc/13/72/19/963137219.db2.gz LNKZSFWOTPLVMH-UHFFFAOYSA-N -1 1 261.296 3.023 20 0 CGADMM O=C(NC1(Cc2ccccc2)CCC1)c1cc(F)ccc1[O-] ZINC001587770362 963219675 /nfs/dbraw/zinc/21/96/75/963219675.db2.gz LRTJCMWVPBKWGG-UHFFFAOYSA-N -1 1 299.345 3.427 20 0 CGADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c(F)c1 ZINC001605278034 973074756 /nfs/dbraw/zinc/07/47/56/973074756.db2.gz VTJIULMCRFRQDX-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM C[C@@H](C1CCCCC1)N(C)Cc1ncc(C(=O)[O-])s1 ZINC001592180761 977096499 /nfs/dbraw/zinc/09/64/99/977096499.db2.gz FTQVJZNQYHWRSE-JTQLQIEISA-N -1 1 282.409 3.242 20 0 CGADMM CC[C@@H](NCc1c(C)noc1C)c1ccc(C(=O)[O-])cc1 ZINC001595298132 980413241 /nfs/dbraw/zinc/41/32/41/980413241.db2.gz ANAKKXKMYWOAFP-OAHLLOKOSA-N -1 1 288.347 3.231 20 0 CGADMM CC/C=C\CN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001595520799 981337519 /nfs/dbraw/zinc/33/75/19/981337519.db2.gz KFZXAJGKQQTVDQ-MVZIDQBPSA-N -1 1 271.719 3.161 20 0 CGADMM CC[C@@H](NCc1cc(C(=O)[O-])c(C)[nH]1)c1ccccc1F ZINC001597291670 987380474 /nfs/dbraw/zinc/38/04/74/987380474.db2.gz RIHCTEDKJWIDJI-OAHLLOKOSA-N -1 1 290.338 3.401 20 0 CGADMM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])cs1)c1ccns1 ZINC001593204209 994197976 /nfs/dbraw/zinc/19/79/76/994197976.db2.gz ODBIMLBHDAQXIL-SFYZADRCSA-N -1 1 282.390 3.315 20 0 CGADMM C[C@@H](N[C@@H](C)c1nc(C(=O)[O-])co1)C1CCCCCC1 ZINC001593354436 994991769 /nfs/dbraw/zinc/99/17/69/994991769.db2.gz PVNPOAQLDBMYGE-MNOVXSKESA-N -1 1 280.368 3.382 20 0 CGADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCC2(CCCCC2)CC1 ZINC001593725037 996272700 /nfs/dbraw/zinc/27/27/00/996272700.db2.gz LULRLRWZTFBSIS-GFCCVEGCSA-N -1 1 292.379 3.480 20 0 CGADMM CO[C@H](CN[C@@H](C(=O)[O-])c1ccsc1)C1CCCCC1 ZINC001599053741 999207188 /nfs/dbraw/zinc/20/71/88/999207188.db2.gz MRNXLIWHLDYAKH-ZIAGYGMSSA-N -1 1 297.420 3.059 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC[C@@H](C)[C@H]1C ZINC001594384968 999461003 /nfs/dbraw/zinc/46/10/03/999461003.db2.gz YWGIOZTZHKDAJD-OPRDCNLKSA-N -1 1 268.382 3.023 20 0 CGADMM Cc1ccnc(NC(=O)c2ccc([O-])c(F)c2)c1C1CC1 ZINC000622148447 349638121 /nfs/dbraw/zinc/63/81/21/349638121.db2.gz MAZZGBCLCQMGNK-UHFFFAOYSA-N -1 1 286.306 3.364 20 0 CGADMM CCc1ccc(CN[C@H](CC2CCCCC2)C(=O)[O-])o1 ZINC000417605398 529657154 /nfs/dbraw/zinc/65/71/54/529657154.db2.gz BBIYCVNBAQLXHV-OAHLLOKOSA-N -1 1 279.380 3.355 20 0 CGADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])C(C)(C)C ZINC000436564398 529664565 /nfs/dbraw/zinc/66/45/65/529664565.db2.gz HDTIURJIUXFPBO-GFCCVEGCSA-N -1 1 253.317 3.086 20 0 CGADMM C[C@@H]1CCN(Cc2cc(F)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000335537827 212236551 /nfs/dbraw/zinc/23/65/51/212236551.db2.gz DYPJPLJMLSNOSM-SKDRFNHKSA-N -1 1 285.746 3.022 20 0 CGADMM COc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1C ZINC000591727015 346934621 /nfs/dbraw/zinc/93/46/21/346934621.db2.gz UAKXGKSNDYHBMW-UHFFFAOYSA-N -1 1 284.290 3.046 20 0 CGADMM CN(CC[C@H]1CCCO1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436794278 529932246 /nfs/dbraw/zinc/93/22/46/529932246.db2.gz UYYLFUKKPHKLDZ-CQSZACIVSA-N -1 1 299.370 3.187 20 0 CGADMM Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000273190645 192070710 /nfs/dbraw/zinc/07/07/10/192070710.db2.gz GRYPIKWLMDAEEE-UHFFFAOYSA-N -1 1 291.326 3.044 20 0 CGADMM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccccc1[O-] ZINC000029351625 344917158 /nfs/dbraw/zinc/91/71/58/344917158.db2.gz KJTJQTYTSMZKMY-UHFFFAOYSA-N -1 1 285.328 3.096 20 0 CGADMM C[C@]1(C(=O)[O-])CCCN(Cc2c(F)cccc2Cl)C1 ZINC000062875900 345241210 /nfs/dbraw/zinc/24/12/10/345241210.db2.gz YKGCWHJASOCROZ-AWEZNQCLSA-N -1 1 285.746 3.166 20 0 CGADMM O=C([O-])C[C@@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000086757003 345750789 /nfs/dbraw/zinc/75/07/89/345750789.db2.gz MPIJVBVIMFYYTH-JTQLQIEISA-N -1 1 285.746 3.166 20 0 CGADMM CC(C)c1ccc([C@H](C)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000091298395 345810195 /nfs/dbraw/zinc/81/01/95/345810195.db2.gz IXAHVHDCBQRDEH-XJKSGUPXSA-N -1 1 291.391 3.047 20 0 CGADMM Cn1cc(NC(=O)c2ccccc2[O-])c(-c2ccccc2)n1 ZINC000091144507 345804432 /nfs/dbraw/zinc/80/44/32/345804432.db2.gz PBUYXPPNOIHCRZ-UHFFFAOYSA-N -1 1 293.326 3.045 20 0 CGADMM O=C([O-])[C@H](NCc1ccccc1Cl)c1cccc(F)c1 ZINC000211536699 346286346 /nfs/dbraw/zinc/28/63/46/346286346.db2.gz KJLIVCOQYWIRJN-CQSZACIVSA-N -1 1 293.725 3.395 20 0 CGADMM CC1(CNC(=O)c2cc(F)ccc2[O-])CCCCC1 ZINC000232917738 346329133 /nfs/dbraw/zinc/32/91/33/346329133.db2.gz NGDULEBMEMUXEA-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM CCCCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000230483425 346321259 /nfs/dbraw/zinc/32/12/59/346321259.db2.gz NCXJTDVZCDAIMX-UHFFFAOYSA-N -1 1 266.288 3.071 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000380243309 346556247 /nfs/dbraw/zinc/55/62/47/346556247.db2.gz MVEKXACVPRGOTA-OUAUKWLOSA-N -1 1 283.318 3.068 20 0 CGADMM CC1(C)CCC[C@H]1CNC(=O)c1c([O-])cccc1F ZINC000389130300 346572313 /nfs/dbraw/zinc/57/23/13/346572313.db2.gz NSJLATKGLBMSLG-JTQLQIEISA-N -1 1 265.328 3.087 20 0 CGADMM CS[C@H](CN=c1nc(C(F)(F)F)[n-]s1)C(C)(C)C ZINC000588015559 346746020 /nfs/dbraw/zinc/74/60/20/346746020.db2.gz JALUYOJMEBWHGM-ZCFIWIBFSA-N -1 1 299.387 3.168 20 0 CGADMM COCc1nc(=NC2CC(C)(C)CC(C)(C)C2)s[n-]1 ZINC000346253305 293327460 /nfs/dbraw/zinc/32/74/60/293327460.db2.gz AQJLGEZAOAYGFO-UHFFFAOYSA-N -1 1 283.441 3.123 20 0 CGADMM Cc1cc(-c2nc3cccc(F)c3c(=O)[n-]2)cc(C)c1O ZINC000608102963 348286573 /nfs/dbraw/zinc/28/65/73/348286573.db2.gz IUAAPHBGBVCQNI-UHFFFAOYSA-N -1 1 284.290 3.052 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1coc(-c2ccccc2)n1 ZINC000608366071 348301193 /nfs/dbraw/zinc/30/11/93/348301193.db2.gz MXKXTWUJPKOEEM-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM O=C(COc1ccccc1Cl)Nc1c([O-])cccc1F ZINC000608366907 348301283 /nfs/dbraw/zinc/30/12/83/348301283.db2.gz BIGNCIIGPVCQFR-UHFFFAOYSA-N -1 1 295.697 3.202 20 0 CGADMM C[C@@H](C(=O)Nc1c([O-])cccc1F)c1cccs1 ZINC000608366879 348301365 /nfs/dbraw/zinc/30/13/65/348301365.db2.gz ARIUVMVYSXAAEB-MRVPVSSYSA-N -1 1 265.309 3.335 20 0 CGADMM O=C(Nc1c([O-])cccc1F)C1CCC2(CC2)CC1 ZINC000613027830 348559981 /nfs/dbraw/zinc/55/99/81/348559981.db2.gz MWUMDMVOGIOBNS-UHFFFAOYSA-N -1 1 263.312 3.440 20 0 CGADMM CO[C@H](C(=O)Nc1ccc(F)cc1[O-])C1CCCCC1 ZINC000613028115 348560158 /nfs/dbraw/zinc/56/01/58/348560158.db2.gz NVAOEEWYWHDNOL-AWEZNQCLSA-N -1 1 281.327 3.065 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H]1C(F)(F)F ZINC000615033730 348710046 /nfs/dbraw/zinc/71/00/46/348710046.db2.gz QKVAWOPEEGPSSC-CYBMUJFWSA-N -1 1 295.260 3.322 20 0 CGADMM CN(C[C@H]1CCc2ccccc21)C(=O)c1cc(F)ccc1[O-] ZINC000620686883 349411204 /nfs/dbraw/zinc/41/12/04/349411204.db2.gz KKCURPWSFJPRGN-CYBMUJFWSA-N -1 1 299.345 3.333 20 0 CGADMM Cc1nc(SCc2ncccc2Cl)[n-]c(=O)c1C ZINC000629169305 350662609 /nfs/dbraw/zinc/66/26/09/350662609.db2.gz KPBCEXIEUFKKNX-UHFFFAOYSA-N -1 1 281.768 3.140 20 0 CGADMM CC[C@@H](C)CCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380254 350685588 /nfs/dbraw/zinc/68/55/88/350685588.db2.gz JPJYYPGKDNYNOU-GFCCVEGCSA-N -1 1 287.363 3.343 20 0 CGADMM C[C@@H]1CCCCN(C(=O)N=c2[n-]sc3ccccc32)C1 ZINC000630350243 350828393 /nfs/dbraw/zinc/82/83/93/350828393.db2.gz DZPAVGRUCNNQQO-LLVKDONJSA-N -1 1 289.404 3.372 20 0 CGADMM CC1(C)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000630895914 350905245 /nfs/dbraw/zinc/90/52/45/350905245.db2.gz OTRWYILIQPQSSG-UHFFFAOYSA-N -1 1 281.783 3.237 20 0 CGADMM Cc1nc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)c(C)o1 ZINC000631023449 350926537 /nfs/dbraw/zinc/92/65/37/350926537.db2.gz RIZCACMHTUUGHV-UHFFFAOYSA-N -1 1 291.376 3.265 20 0 CGADMM Cc1cnccc1CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023195 350926718 /nfs/dbraw/zinc/92/67/18/350926718.db2.gz KXOXYGWHKNUKRL-UHFFFAOYSA-N -1 1 287.388 3.364 20 0 CGADMM Cc1ccc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)cn1 ZINC000631023511 350926827 /nfs/dbraw/zinc/92/68/27/350926827.db2.gz UTMPBSMVGSKZKM-UHFFFAOYSA-N -1 1 287.388 3.364 20 0 CGADMM Cc1nc(SC[C@H]2CC[C@H](C)O2)[n-]c(=O)c1C1CC1 ZINC000631022861 350926910 /nfs/dbraw/zinc/92/69/10/350926910.db2.gz BLWKGNFQVUBAGW-GZMMTYOYSA-N -1 1 280.393 3.028 20 0 CGADMM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632076559 351165245 /nfs/dbraw/zinc/16/52/45/351165245.db2.gz LNPTYMVMEICURU-SECBINFHSA-N -1 1 293.335 3.074 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H]1C(F)F ZINC000633230040 351260960 /nfs/dbraw/zinc/26/09/60/351260960.db2.gz JNNAWPBJUDIDIV-LBPRGKRZSA-N -1 1 277.270 3.025 20 0 CGADMM O=S(=O)([N-][C@@]12C[C@@H]1CCCC2)c1sccc1Cl ZINC000632653647 351207528 /nfs/dbraw/zinc/20/75/28/351207528.db2.gz JGMZVJDZCWSQME-KWQFWETISA-N -1 1 291.825 3.013 20 0 CGADMM CCc1c(=O)n(Cc2ccc(F)c(F)c2)[n-]c1C(C)C ZINC000634590725 351527233 /nfs/dbraw/zinc/52/72/33/351527233.db2.gz HVPYYDKDCJOHNT-LLVKDONJSA-N -1 1 280.318 3.345 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3cc(F)ccc3F)c(=O)c2C1 ZINC000634596781 351533511 /nfs/dbraw/zinc/53/35/11/351533511.db2.gz QSFQLAVQHOCGBO-CABZTGNLSA-N -1 1 278.302 3.099 20 0 CGADMM Cc1[n-]n(-c2ccc(OC(F)F)cc2)c(=O)c1C1CC1 ZINC000634601626 351536767 /nfs/dbraw/zinc/53/67/67/351536767.db2.gz RPXMGGFRJUNQCC-GFCCVEGCSA-N -1 1 280.274 3.037 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3ccc(Cl)cc3)c(=O)c2C1 ZINC000634606886 351539658 /nfs/dbraw/zinc/53/96/58/351539658.db2.gz FRLVTHYDQRPNAG-MFKMUULPSA-N -1 1 276.767 3.474 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3ccc(Cl)cc3)c(=O)c2C1 ZINC000634606887 351539668 /nfs/dbraw/zinc/53/96/68/351539668.db2.gz FRLVTHYDQRPNAG-ZWNOBZJWSA-N -1 1 276.767 3.474 20 0 CGADMM O=c1c2c([n-]n1[C@@H]1CCc3c1cccc3F)CCCC2 ZINC000634631758 351553922 /nfs/dbraw/zinc/55/39/22/351553922.db2.gz BPTVYCFUQNSMDX-IUODEOHRSA-N -1 1 272.323 3.201 20 0 CGADMM CC(C)=C(C)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000635271685 351648983 /nfs/dbraw/zinc/64/89/83/351648983.db2.gz QSGCSMUBPKCXPE-UHFFFAOYSA-N -1 1 285.347 3.467 20 0 CGADMM COc1cc(C(=O)N2CC[C@@H](C(C)C)C2)cc(Cl)c1[O-] ZINC000336501148 213375635 /nfs/dbraw/zinc/37/56/35/213375635.db2.gz NEFWMANPQVCJRW-SNVBAGLBSA-N -1 1 297.782 3.172 20 0 CGADMM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ncccc1[O-] ZINC000291677811 198059908 /nfs/dbraw/zinc/05/99/08/198059908.db2.gz HIWGHNQKNSTAOO-NWDGAFQWSA-N -1 1 276.380 3.074 20 0 CGADMM CCOc1cc(Cl)ccc1NC(=O)c1cncc([O-])c1 ZINC000339905711 215389556 /nfs/dbraw/zinc/38/95/56/215389556.db2.gz BLHDGCUMHCJIKK-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000154973148 188173627 /nfs/dbraw/zinc/17/36/27/188173627.db2.gz BDKLBFZYIGHPPZ-UONOGXRCSA-N -1 1 297.395 3.325 20 0 CGADMM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1c(F)ccc([O-])c1F ZINC000412456058 235170384 /nfs/dbraw/zinc/17/03/84/235170384.db2.gz ARTAWYWKOKCOPN-MNOVXSKESA-N -1 1 295.329 3.227 20 0 CGADMM O=C(Nc1ccncc1[O-])c1cccc(C(F)(F)F)c1 ZINC000109891356 138361945 /nfs/dbraw/zinc/36/19/45/138361945.db2.gz MDBDKIKFZJZUKQ-UHFFFAOYSA-N -1 1 282.221 3.058 20 0 CGADMM O=C(Nc1ccncc1[O-])c1cc2ccccc2s1 ZINC000109890886 138362221 /nfs/dbraw/zinc/36/22/21/138362221.db2.gz BYAKYIDVDOMGLK-UHFFFAOYSA-N -1 1 270.313 3.254 20 0 CGADMM CS[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000294446354 199042896 /nfs/dbraw/zinc/04/28/96/199042896.db2.gz RJRRQCRRAKYIDR-CYBMUJFWSA-N -1 1 287.384 3.123 20 0 CGADMM Cc1cnc(C(=O)N(C)CCCCc2ccccc2)c([O-])c1 ZINC000426655129 236304758 /nfs/dbraw/zinc/30/47/58/236304758.db2.gz QIMFVCXLZVMJCU-UHFFFAOYSA-N -1 1 298.386 3.191 20 0 CGADMM O=C([O-])C[C@H](NCc1ccccc1F)c1ccsc1 ZINC000426689545 236306266 /nfs/dbraw/zinc/30/62/66/236306266.db2.gz ZNADBLXBSVETQK-ZDUSSCGKSA-N -1 1 279.336 3.193 20 0 CGADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(F)cc2)o1 ZINC000426765307 236312887 /nfs/dbraw/zinc/31/28/87/236312887.db2.gz MFSYJHRIBCEYPX-ZDUSSCGKSA-N -1 1 277.295 3.033 20 0 CGADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(F)c2)o1 ZINC000426771193 236313261 /nfs/dbraw/zinc/31/32/61/236313261.db2.gz ZNXBTYSOQBNAKQ-ZDUSSCGKSA-N -1 1 277.295 3.033 20 0 CGADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccccc2C)o1 ZINC000426776662 236313738 /nfs/dbraw/zinc/31/37/38/236313738.db2.gz ZOJZUFQWMIBMBK-AWEZNQCLSA-N -1 1 273.332 3.202 20 0 CGADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C)s2)o1 ZINC000426796455 236315315 /nfs/dbraw/zinc/31/53/15/236315315.db2.gz AVTZNWVUDFAEAG-GFCCVEGCSA-N -1 1 279.361 3.264 20 0 CGADMM Cc1cccc(CN[C@H](C(=O)[O-])c2cccs2)c1C ZINC000426813269 236316156 /nfs/dbraw/zinc/31/61/56/236316156.db2.gz VUEWHJZRJWFMOV-AWEZNQCLSA-N -1 1 275.373 3.280 20 0 CGADMM O=C([O-])c1cccc(CNc2cc3c(cn2)CCCC3)c1 ZINC000263408363 138571308 /nfs/dbraw/zinc/57/13/08/138571308.db2.gz KMVAGGHGMIBCJN-UHFFFAOYSA-N -1 1 282.343 3.271 20 0 CGADMM CN(C(=O)c1ccc(Br)c([O-])c1)[C@H]1CC1(C)C ZINC000428095574 236364215 /nfs/dbraw/zinc/36/42/15/236364215.db2.gz YEAOSSCHZUWWRC-NSHDSACASA-N -1 1 298.180 3.025 20 0 CGADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@H](C2CC2)O1 ZINC000294804442 199191830 /nfs/dbraw/zinc/19/18/30/199191830.db2.gz WDTMUQQKZDGNHL-QMTHXVAHSA-N -1 1 281.783 3.045 20 0 CGADMM C[C@H](CNC(=O)c1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC000436551875 237128527 /nfs/dbraw/zinc/12/85/27/237128527.db2.gz AXSXFMMEWCYIHK-SNVBAGLBSA-N -1 1 291.297 3.204 20 0 CGADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(F)cc1F ZINC000436582266 237138572 /nfs/dbraw/zinc/13/85/72/237138572.db2.gz HTWSPHQVHRIGQY-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM O=C(NCc1ccc(F)cn1)c1ccc2ccccc2c1[O-] ZINC000436596432 237140603 /nfs/dbraw/zinc/14/06/03/237140603.db2.gz MEABIPCVTBFSAQ-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM Cn1nc(C2CCCCC2)cc1NC(=O)c1ccccc1[O-] ZINC000436594422 237141132 /nfs/dbraw/zinc/14/11/32/237141132.db2.gz FBXPPAHYIYIDOA-UHFFFAOYSA-N -1 1 299.374 3.426 20 0 CGADMM CN(C(=O)c1cc(Br)ccc1[O-])[C@H]1CC1(C)C ZINC000436728869 237171666 /nfs/dbraw/zinc/17/16/66/237171666.db2.gz OMSNHPUMCYWAEB-NSHDSACASA-N -1 1 298.180 3.025 20 0 CGADMM CO[C@H](c1nc(-c2ccc([O-])cc2Cl)no1)C(C)C ZINC000436869059 237196721 /nfs/dbraw/zinc/19/67/21/237196721.db2.gz CNMJSHBXJNLXBB-NSHDSACASA-N -1 1 282.727 3.439 20 0 CGADMM [O-]c1ccc(-c2noc(CSC3CC3)n2)c(Cl)c1 ZINC000297142579 200096530 /nfs/dbraw/zinc/09/65/30/200096530.db2.gz ZOXSZZXNCRYSAQ-UHFFFAOYSA-N -1 1 282.752 3.491 20 0 CGADMM O=C(Nc1ccccc1-c1cn[nH]c1)c1ccc([O-])cc1F ZINC000439752358 238275670 /nfs/dbraw/zinc/27/56/70/238275670.db2.gz URVXBRLIZLZKBD-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM Cc1nc(-c2ccc(N[C@H](C)C3CCC3)nc2)[n-]c(=O)c1C ZINC000301880741 201246599 /nfs/dbraw/zinc/24/65/99/201246599.db2.gz ZRXUVGFSQRLTQB-GFCCVEGCSA-N -1 1 298.390 3.462 20 0 CGADMM [O-]c1cccc(CN[C@@H]2COCc3ccccc32)c1Cl ZINC000335633896 212348445 /nfs/dbraw/zinc/34/84/45/212348445.db2.gz FUUURXCJQMBGIV-CQSZACIVSA-N -1 1 289.762 3.407 20 0 CGADMM O=S(=O)([N-]CC1CCCC1)c1cc2cc(F)ccc2o1 ZINC000451044561 240200717 /nfs/dbraw/zinc/20/07/17/240200717.db2.gz VWTRAPZNLFPIGQ-UHFFFAOYSA-N -1 1 297.351 3.040 20 0 CGADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000451432777 240300440 /nfs/dbraw/zinc/30/04/40/240300440.db2.gz LTUXQMLGEDUECD-CABZTGNLSA-N -1 1 297.351 3.039 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CCC[C@H](C3CC3)C2)s[n-]1 ZINC000425295627 294342625 /nfs/dbraw/zinc/34/26/25/294342625.db2.gz FTZCPCDRNVTTKH-ADEWGFFLSA-N -1 1 281.425 3.048 20 0 CGADMM CC(=O)c1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000019806265 368767334 /nfs/dbraw/zinc/76/73/34/368767334.db2.gz DABIULKYMSYDQQ-UHFFFAOYSA-N -1 1 269.300 3.156 20 0 CGADMM COc1ccc(C(=O)Nc2cc(F)ccc2C)c([O-])c1 ZINC000019839827 368771872 /nfs/dbraw/zinc/77/18/72/368771872.db2.gz RFZKNTCTVGMSMR-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ncccc1[O-] ZINC000062017592 369615054 /nfs/dbraw/zinc/61/50/54/369615054.db2.gz GAOXDSAICUEZML-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM CN(CC1CCCC1)C(=O)c1cc(Cl)ccc1[O-] ZINC000064088639 369650813 /nfs/dbraw/zinc/65/08/13/369650813.db2.gz SYGJIZOPSHYKJG-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCS1 ZINC000075385627 369906228 /nfs/dbraw/zinc/90/62/28/369906228.db2.gz BWFIDAMIXGIRKX-JTQLQIEISA-N -1 1 285.796 3.013 20 0 CGADMM CCN(Cc1cccc(Cl)c1)C(=O)c1cncc([O-])c1 ZINC000109042425 370360202 /nfs/dbraw/zinc/36/02/02/370360202.db2.gz VALLUEZDTOTLRD-UHFFFAOYSA-N -1 1 290.750 3.103 20 0 CGADMM [O-]c1cccc(C[N@H+](CCO)CC2CCCCC2)c1Cl ZINC000512690983 245044935 /nfs/dbraw/zinc/04/49/35/245044935.db2.gz QFTBENDVKNJEHI-UHFFFAOYSA-N -1 1 297.826 3.420 20 0 CGADMM CC[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000421660612 371596969 /nfs/dbraw/zinc/59/69/69/371596969.db2.gz CSQVMXBVRGIGCX-LSDHHAIUSA-N -1 1 299.370 3.233 20 0 CGADMM CC[C@H](C)[C@@H]1CCCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000287962016 371720766 /nfs/dbraw/zinc/72/07/66/371720766.db2.gz YPSYLTPRXAWJHH-WFASDCNBSA-N -1 1 289.375 3.002 20 0 CGADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000289652787 371784583 /nfs/dbraw/zinc/78/45/83/371784583.db2.gz MTXNOBHKYAOYSS-RKDXNWHRSA-N -1 1 271.307 3.225 20 0 CGADMM CCC1(C)CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000289799491 371827062 /nfs/dbraw/zinc/82/70/62/371827062.db2.gz SGCOQQSICHUPER-UHFFFAOYSA-N -1 1 283.318 3.323 20 0 CGADMM CO[C@@](C)(c1nc(-c2ccc([O-])cc2Cl)no1)C1CC1 ZINC000291139511 372123530 /nfs/dbraw/zinc/12/35/30/372123530.db2.gz XQFLCWOBXRZHCO-CQSZACIVSA-N -1 1 294.738 3.367 20 0 CGADMM CCc1cc(=O)n(-c2ccc(Br)cc2C)[n-]1 ZINC000165894036 372558253 /nfs/dbraw/zinc/55/82/53/372558253.db2.gz RKCYVLSRUCDCKH-UHFFFAOYSA-N -1 1 281.153 3.260 20 0 CGADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1cc2ccccc2s1 ZINC000171871294 372844391 /nfs/dbraw/zinc/84/43/91/372844391.db2.gz ZKXXPJFRBXUTEF-SNVBAGLBSA-N -1 1 298.367 3.493 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2c([O-])cccc2F)C[C@H]1C ZINC000300241472 373622312 /nfs/dbraw/zinc/62/23/12/373622312.db2.gz JIBQDHMNXKLGIY-GMTAPVOTSA-N -1 1 265.328 3.086 20 0 CGADMM CN(C(=O)c1ccc(Br)c([O-])c1)C1CCCC1 ZINC000179288680 373854585 /nfs/dbraw/zinc/85/45/85/373854585.db2.gz DUWXZGRUKCFRLD-UHFFFAOYSA-N -1 1 298.180 3.169 20 0 CGADMM O=C(NC[C@@H]1CCCc2ccccc21)c1ccc([O-])cc1F ZINC000181107380 374080570 /nfs/dbraw/zinc/08/05/70/374080570.db2.gz XGWFUBKWBSZVPH-ZDUSSCGKSA-N -1 1 299.345 3.381 20 0 CGADMM O=C(NCCCC1CCCC1)c1ccc([O-])cc1F ZINC000181108083 374080945 /nfs/dbraw/zinc/08/09/45/374080945.db2.gz CNNMGCIYNWLSFI-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM CCc1ccnc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000181788647 374171423 /nfs/dbraw/zinc/17/14/23/374171423.db2.gz POVCKCUNDXKUIF-UHFFFAOYSA-N -1 1 276.723 3.255 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1scnc1C1CC1 ZINC000089829086 541956300 /nfs/dbraw/zinc/95/63/00/541956300.db2.gz WIVDPUCJKAKJBF-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM CC(C)c1ccc(C(=O)N(C)c2cccnc2)c([O-])c1 ZINC000334477372 374782327 /nfs/dbraw/zinc/78/23/27/374782327.db2.gz QBRAOQHYPWJMOV-UHFFFAOYSA-N -1 1 270.332 3.187 20 0 CGADMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463663072 374847309 /nfs/dbraw/zinc/84/73/09/374847309.db2.gz GLNUJSOYKBESRJ-DTWKUNHWSA-N -1 1 293.791 3.192 20 0 CGADMM [O-]c1ccc(-c2noc(CC3CC(F)(F)C3)n2)cc1F ZINC000334666989 374954695 /nfs/dbraw/zinc/95/46/95/374954695.db2.gz WDCFCLQAALCEOI-UHFFFAOYSA-N -1 1 284.237 3.169 20 0 CGADMM C[C@H]1CC=C(C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000335218354 375238069 /nfs/dbraw/zinc/23/80/69/375238069.db2.gz RPNGCZLZLWIDDC-QMMMGPOBSA-N -1 1 267.275 3.355 20 0 CGADMM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC000335710955 375368200 /nfs/dbraw/zinc/36/82/00/375368200.db2.gz ILEXJBSDGLYEIU-HIFRSBDPSA-N -1 1 296.370 3.196 20 0 CGADMM C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])CCS1 ZINC000191940130 375679780 /nfs/dbraw/zinc/67/97/80/375679780.db2.gz JFZPIFVJIOSPPK-VIFPVBQESA-N -1 1 285.796 3.013 20 0 CGADMM O=C(CC1(O)CCCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000129530177 542057713 /nfs/dbraw/zinc/05/77/13/542057713.db2.gz AOVYLBKPOLYAOQ-UHFFFAOYSA-N -1 1 283.755 3.069 20 0 CGADMM CCOc1cc(C(=O)N(C)C2CCCC2)cc(Cl)c1[O-] ZINC000192798771 375791603 /nfs/dbraw/zinc/79/16/03/375791603.db2.gz IEOSFTWSGPRGGM-UHFFFAOYSA-N -1 1 297.782 3.459 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C)cc1 ZINC000336564591 375836205 /nfs/dbraw/zinc/83/62/05/375836205.db2.gz RFYBGNMHWNYSKI-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM CCc1ccc([C@@H](NC(=O)c2cncc([O-])c2)C(C)C)cc1 ZINC000336852584 376012820 /nfs/dbraw/zinc/01/28/20/376012820.db2.gz UFVGIDOOWAUKRP-KRWDZBQOSA-N -1 1 298.386 3.477 20 0 CGADMM O=C(NOC1CCCC1)c1cc2ccccc2cc1[O-] ZINC000224063591 376269682 /nfs/dbraw/zinc/26/96/82/376269682.db2.gz NIVOOAFVIZLUMV-UHFFFAOYSA-N -1 1 271.316 3.149 20 0 CGADMM CC(C)CN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338369256 376353260 /nfs/dbraw/zinc/35/32/60/376353260.db2.gz OMOUJJGFOCMPJO-UHFFFAOYSA-N -1 1 292.766 3.322 20 0 CGADMM COc1cccnc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000539840019 376338864 /nfs/dbraw/zinc/33/88/64/376338864.db2.gz DEZSAQXYSPRKMG-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM CCN(C(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000226426871 376358205 /nfs/dbraw/zinc/35/82/05/376358205.db2.gz RKNIMAOLSJGCTM-UHFFFAOYSA-N -1 1 259.280 3.198 20 0 CGADMM O=C([O-])c1coc(CNCc2cccc3ccccc32)c1 ZINC000228171063 376431116 /nfs/dbraw/zinc/43/11/16/376431116.db2.gz AIMDZFWYRUGVSR-UHFFFAOYSA-N -1 1 281.311 3.421 20 0 CGADMM C[C@H]1CC(Sc2nc(C(F)F)cc(=O)[n-]2)C[C@H](C)O1 ZINC000338570491 376432997 /nfs/dbraw/zinc/43/29/97/376432997.db2.gz CJHXYTOQPASNGF-BQBZGAKWSA-N -1 1 290.335 3.168 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1noc2c1CCCCC2 ZINC000156886483 542130901 /nfs/dbraw/zinc/13/09/01/542130901.db2.gz QKDSLFGOZAUMDL-UHFFFAOYSA-N -1 1 290.294 3.041 20 0 CGADMM C/C(=C/c1nc(-c2ccc([O-])cc2F)no1)C1CC1 ZINC000562476674 377314125 /nfs/dbraw/zinc/31/41/25/377314125.db2.gz LWCSSYNWXDMCIR-VURMDHGXSA-N -1 1 260.268 3.395 20 0 CGADMM CCOc1ccccc1N(C)C(=O)c1cc(F)ccc1[O-] ZINC000093246362 249036210 /nfs/dbraw/zinc/03/62/10/249036210.db2.gz JZMDKCLDZWZIIN-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM O=C([O-])C[C@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC000165671342 542172254 /nfs/dbraw/zinc/17/22/54/542172254.db2.gz XOKYKVMUMRUWPY-GFCCVEGCSA-N -1 1 285.746 3.308 20 0 CGADMM C[C@H](CN(C)Cc1nc(C2CCCCC2)cs1)C(=O)[O-] ZINC000515305989 249206771 /nfs/dbraw/zinc/20/67/71/249206771.db2.gz PGOXBZHZHBOMNI-LLVKDONJSA-N -1 1 296.436 3.343 20 0 CGADMM C[C@]1(F)CCCN(c2c(C(=O)[O-])cnc3ccccc32)C1 ZINC000573806078 377577946 /nfs/dbraw/zinc/57/79/46/377577946.db2.gz XFIXDHUDDAKAAA-INIZCTEOSA-N -1 1 288.322 3.261 20 0 CGADMM O=C([O-])CC[C@H]1CCCCN1Cc1nc(C2CC2)cs1 ZINC000574630048 377687449 /nfs/dbraw/zinc/68/74/49/377687449.db2.gz FVWAMZPSXAWHCG-GFCCVEGCSA-N -1 1 294.420 3.240 20 0 CGADMM CC(C)CCc1nc(CN2CC[C@](C)(C(=O)[O-])C2)cs1 ZINC000263074434 377918420 /nfs/dbraw/zinc/91/84/20/377918420.db2.gz GJCORZMWIMHAQO-HNNXBMFYSA-N -1 1 296.436 3.028 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ncc(C(C)(C)C)s1 ZINC000263375152 377928752 /nfs/dbraw/zinc/92/87/52/377928752.db2.gz WLCCAEYVBHVZFF-MNOVXSKESA-N -1 1 296.436 3.126 20 0 CGADMM CCCN(CC(=O)[O-])Cc1c(F)cc(C)cc1Cl ZINC000263431078 377936428 /nfs/dbraw/zinc/93/64/28/377936428.db2.gz SDFVKJSPPCKOGZ-UHFFFAOYSA-N -1 1 273.735 3.084 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(F)c(Cl)c1 ZINC000263459258 377939349 /nfs/dbraw/zinc/93/93/49/377939349.db2.gz BJBCSHQFLXXOAZ-KOLCDFICSA-N -1 1 285.746 3.164 20 0 CGADMM CC(C)c1nnc([N-]C(=O)c2cc(C(C)(C)C)on2)s1 ZINC000265976217 190220335 /nfs/dbraw/zinc/22/03/35/190220335.db2.gz BOCVNIVRNOHZDV-UHFFFAOYSA-N -1 1 294.380 3.199 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C[C@H]1C ZINC000579776243 378193514 /nfs/dbraw/zinc/19/35/14/378193514.db2.gz CUJMKOOBXKJNOE-OPRDCNLKSA-N -1 1 283.318 3.225 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ncc(C3CC3)o2)n1 ZINC000270452183 378353714 /nfs/dbraw/zinc/35/37/14/378353714.db2.gz IQPHWQDGRBOTOA-UHFFFAOYSA-N -1 1 291.376 3.292 20 0 CGADMM CC(C)[C@@H](C)N(C(=O)c1ccc([O-])cc1F)C1CC1 ZINC000272296742 378607210 /nfs/dbraw/zinc/60/72/10/378607210.db2.gz WPELWLYUFVMYPU-SNVBAGLBSA-N -1 1 265.328 3.180 20 0 CGADMM CCc1ccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])o1 ZINC000277322598 379132104 /nfs/dbraw/zinc/13/21/04/379132104.db2.gz OAEIFPICOHSOMI-BLLLJJGKSA-N -1 1 287.359 3.394 20 0 CGADMM CC[C@H](C)OCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000277888989 379257805 /nfs/dbraw/zinc/25/78/05/379257805.db2.gz CUPIKLKOAALAHY-QMMMGPOBSA-N -1 1 282.727 3.411 20 0 CGADMM CC[C@H](OC)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278175440 379308984 /nfs/dbraw/zinc/30/89/84/379308984.db2.gz NWYBVIPCSNNMAV-JTQLQIEISA-N -1 1 268.700 3.193 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)c(F)c1 ZINC000350590528 379569247 /nfs/dbraw/zinc/56/92/47/379569247.db2.gz WOLZQSARTMPSQH-UHFFFAOYSA-N -1 1 296.261 3.125 20 0 CGADMM CCCOc1ccc(NC(=O)c2cc(C(F)F)n[nH]2)cc1 ZINC000640059411 379703762 /nfs/dbraw/zinc/70/37/62/379703762.db2.gz SGJIQVHXZQGRER-UHFFFAOYSA-N -1 1 295.289 3.388 20 0 CGADMM C[C@H]1CC[C@H](C)N1C(=O)N=c1[n-]sc2ccccc21 ZINC000640344049 379770417 /nfs/dbraw/zinc/77/04/17/379770417.db2.gz ZFUGBWCLASVSSW-UWVGGRQHSA-N -1 1 275.377 3.123 20 0 CGADMM Cc1cnc([C@H](C)[N-]c2nc(C(C)C)no2)s1 ZINC000267441465 190330849 /nfs/dbraw/zinc/33/08/49/190330849.db2.gz YSPFSXBXCAWMPV-QMMMGPOBSA-N -1 1 252.343 3.131 20 0 CGADMM CCC[C@H](CNC(=O)c1cc2ccccc2cc1[O-])OC ZINC000378722126 379855998 /nfs/dbraw/zinc/85/59/98/379855998.db2.gz CAXLQBLYZWCHKM-CQSZACIVSA-N -1 1 287.359 3.090 20 0 CGADMM C[C@@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000282352190 379902654 /nfs/dbraw/zinc/90/26/54/379902654.db2.gz APTCLPDFHMXHFR-SECBINFHSA-N -1 1 290.750 3.076 20 0 CGADMM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000402702207 379972096 /nfs/dbraw/zinc/97/20/96/379972096.db2.gz DPQHZNKUZVJDPJ-LLVKDONJSA-N -1 1 279.767 3.474 20 0 CGADMM O=C([O-])[C@@H]1C[C@@H](NCc2ccc(Cl)o2)c2ccccc21 ZINC000417637562 380659650 /nfs/dbraw/zinc/65/96/50/380659650.db2.gz ZCIUEQJNAKPJCJ-CHWSQXEVSA-N -1 1 291.734 3.336 20 0 CGADMM COc1ccc(C(=O)Nc2c([O-])cccc2F)cc1Cl ZINC000645926898 380781278 /nfs/dbraw/zinc/78/12/78/380781278.db2.gz KIHGPNKYFYBWAY-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CC1(CNC(=O)c2c(F)ccc([O-])c2F)CCCCC1 ZINC000289247759 197275154 /nfs/dbraw/zinc/27/51/54/197275154.db2.gz DZNUDSWRVRIRGX-UHFFFAOYSA-N -1 1 283.318 3.371 20 0 CGADMM C[C@@]1(c2nc(-c3ccc([O-])cc3Cl)no2)C[C@@H]1F ZINC000335249025 208025524 /nfs/dbraw/zinc/02/55/24/208025524.db2.gz MHNVVDGMKQXWLD-JOYOIKCWSA-N -1 1 268.675 3.095 20 0 CGADMM O=C(Nc1cccc(Cl)c1)c1csc(=NC2CC2)[n-]1 ZINC000349807551 218926886 /nfs/dbraw/zinc/92/68/86/218926886.db2.gz OSTSBLWFJUYQPQ-UHFFFAOYSA-N -1 1 293.779 3.045 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000281277715 195176768 /nfs/dbraw/zinc/17/67/68/195176768.db2.gz GFGVEDUYCLCMNK-ZETCQYMHSA-N -1 1 284.237 3.484 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000335943370 542473422 /nfs/dbraw/zinc/47/34/22/542473422.db2.gz OCYVAGNUQHPLHD-YUMQZZPRSA-N -1 1 291.244 3.448 20 0 CGADMM CC(F)(F)c1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1 ZINC000356882345 542572822 /nfs/dbraw/zinc/57/28/22/542572822.db2.gz JHPXDQHAJOPGPX-UHFFFAOYSA-N -1 1 287.269 3.097 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(F)c(F)c1 ZINC000163583229 533274453 /nfs/dbraw/zinc/27/44/53/533274453.db2.gz WSSSNTYDQSLRBY-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1cccc(O)c1 ZINC000171384312 533277521 /nfs/dbraw/zinc/27/75/21/533277521.db2.gz YVLIXDMZILGQAR-SECBINFHSA-N -1 1 291.734 3.242 20 0 CGADMM C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000424752911 533587868 /nfs/dbraw/zinc/58/78/68/533587868.db2.gz PCCGNUISIUUYKX-MWLCHTKSSA-N -1 1 251.301 3.296 20 0 CGADMM COc1cc(C)cc(NC(=O)c2ccccc2[O-])c1C ZINC000436817605 533643742 /nfs/dbraw/zinc/64/37/42/533643742.db2.gz XYRQFZSLXLYUHL-UHFFFAOYSA-N -1 1 271.316 3.270 20 0 CGADMM Cn1cccc1S(=O)(=O)[N-]c1ccc(C2CCC2)cc1 ZINC000414385095 542637258 /nfs/dbraw/zinc/63/72/58/542637258.db2.gz UEOJLRUCGPOQFS-UHFFFAOYSA-N -1 1 290.388 3.093 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000048653070 392007154 /nfs/dbraw/zinc/00/71/54/392007154.db2.gz ZTUWHAYZWXCYJM-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM C[C@H]1CCCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000070410753 392182371 /nfs/dbraw/zinc/18/23/71/392182371.db2.gz PSRMSCSJKLLWIE-JTQLQIEISA-N -1 1 267.756 3.450 20 0 CGADMM CC[C@H](C)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361794778 392323558 /nfs/dbraw/zinc/32/35/58/392323558.db2.gz BSERXIMIXIPVCU-JTQLQIEISA-N -1 1 273.336 3.157 20 0 CGADMM CCC(C)(C)C(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289582745 392424255 /nfs/dbraw/zinc/42/42/55/392424255.db2.gz RJRXQHOMZQEOPI-UHFFFAOYSA-N -1 1 290.335 3.217 20 0 CGADMM C[C@H]1CCCC[C@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000290331410 392445544 /nfs/dbraw/zinc/44/55/44/392445544.db2.gz KGRLZWQWLDABQZ-UWVGGRQHSA-N -1 1 283.318 3.227 20 0 CGADMM O=C([O-])[C@H]1C=C[C@H](NCc2c(Cl)cccc2Cl)C1 ZINC000310836019 392660080 /nfs/dbraw/zinc/66/00/80/392660080.db2.gz JVINMMORGGQADW-IUCAKERBSA-N -1 1 286.158 3.112 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H]2CCC[C@H](C(C)C)C2)s[n-]1 ZINC000509697530 392767947 /nfs/dbraw/zinc/76/79/47/392767947.db2.gz JDXCNCLEMZJSSO-WOPDTQHZSA-N -1 1 283.441 3.294 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H]2CCC[C@@H](C(C)C)C2)s[n-]1 ZINC000509697255 392768363 /nfs/dbraw/zinc/76/83/63/392768363.db2.gz JDXCNCLEMZJSSO-UTUOFQBUSA-N -1 1 283.441 3.294 20 0 CGADMM CCCC[C@@H](CC)CC(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC000509998518 392779757 /nfs/dbraw/zinc/77/97/57/392779757.db2.gz NUWQZHQOHRNURP-LLVKDONJSA-N -1 1 295.383 3.131 20 0 CGADMM CCCC[C@@H](CC)CC(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC000509998518 392779763 /nfs/dbraw/zinc/77/97/63/392779763.db2.gz NUWQZHQOHRNURP-LLVKDONJSA-N -1 1 295.383 3.131 20 0 CGADMM CC(C)(C)[C@H](NC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000547796907 393150136 /nfs/dbraw/zinc/15/01/36/393150136.db2.gz CHERZKQKMVCUGK-NSHDSACASA-N -1 1 293.260 3.238 20 0 CGADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416295216 393295697 /nfs/dbraw/zinc/29/56/97/393295697.db2.gz SVYAEDOTGXOESH-RYUDHWBXSA-N -1 1 276.380 3.074 20 0 CGADMM CC[C@H](CC(F)(F)F)C(=O)Nc1c([O-])cccc1F ZINC000648940668 393295852 /nfs/dbraw/zinc/29/58/52/393295852.db2.gz YNUOILZOYMVVOT-SSDOTTSWSA-N -1 1 279.233 3.448 20 0 CGADMM COc1cc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000416321012 393299843 /nfs/dbraw/zinc/29/98/43/393299843.db2.gz QFMUMUPVWORYCU-LPEHRKFASA-N -1 1 297.782 3.171 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCC[C@H]2CCOC2)n1 ZINC000647114371 393339524 /nfs/dbraw/zinc/33/95/24/393339524.db2.gz OTWFMVAIUJHYTG-NSHDSACASA-N -1 1 282.409 3.044 20 0 CGADMM O=C(Nc1cccc(C2CC2)n1)c1ccc([O-])c(F)c1 ZINC000647143340 393346372 /nfs/dbraw/zinc/34/63/72/393346372.db2.gz HGSFHCNIINMWGN-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM CC[C@H](C)[C@@H](C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000356331065 393421589 /nfs/dbraw/zinc/42/15/89/393421589.db2.gz CPGTTZGDAVXIGK-VHSXEESVSA-N -1 1 277.393 3.181 20 0 CGADMM Cc1ccc(/C=C\C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000492439697 393734983 /nfs/dbraw/zinc/73/49/83/393734983.db2.gz LHAQACDLLJYSRY-DAXSKMNVSA-N -1 1 288.734 3.401 20 0 CGADMM CCc1nc(-c2nc(-c3ccc([O-])cc3Cl)no2)co1 ZINC000445447677 393794126 /nfs/dbraw/zinc/79/41/26/393794126.db2.gz ISHRXRSJJFJJFB-UHFFFAOYSA-N -1 1 291.694 3.313 20 0 CGADMM Cc1ccc(Cc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445454760 393795327 /nfs/dbraw/zinc/79/53/27/393795327.db2.gz APNDELDDCDRKAH-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccccc3)n2)c(F)c1 ZINC000445458771 393796585 /nfs/dbraw/zinc/79/65/85/393796585.db2.gz ZIHHDXZTEZMBFY-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM Cc1ccncc1/C=C/c1nc(-c2ccc([O-])cc2F)no1 ZINC000445459846 393796855 /nfs/dbraw/zinc/79/68/55/393796855.db2.gz IHWDWSOYPGFUBG-GORDUTHDSA-N -1 1 297.289 3.455 20 0 CGADMM Cc1ccc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)nc1 ZINC000445463261 393797534 /nfs/dbraw/zinc/79/75/34/393797534.db2.gz OATLXDPHZCYCFB-DAXSKMNVSA-N -1 1 297.289 3.455 20 0 CGADMM CC1(C)CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000667985544 542954371 /nfs/dbraw/zinc/95/43/71/542954371.db2.gz YOSPQFSNKCXGIV-UHFFFAOYSA-N -1 1 284.359 3.203 20 0 CGADMM O=c1c2c([n-]n1CCCOc1ccccc1)CCCCC2 ZINC000109522695 397653424 /nfs/dbraw/zinc/65/34/24/397653424.db2.gz ACISHYDFXFSIOY-OAHLLOKOSA-N -1 1 286.375 3.234 20 0 CGADMM CC[C@H](C(=O)[O-])N(C)Cc1cc2cc(C)c(C)cc2o1 ZINC000650807147 397928193 /nfs/dbraw/zinc/92/81/93/397928193.db2.gz QOFMWTBERASQPE-CQSZACIVSA-N -1 1 275.348 3.345 20 0 CGADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)c(O)c1C ZINC000678374304 543519242 /nfs/dbraw/zinc/51/92/42/543519242.db2.gz CTPIVUUEPFGLET-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(C)cc2)o1 ZINC000426783585 292250616 /nfs/dbraw/zinc/25/06/16/292250616.db2.gz MOKZSXPYJUBQQR-AWEZNQCLSA-N -1 1 273.332 3.202 20 0 CGADMM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CCCCC(=O)[O-] ZINC000181559840 297164162 /nfs/dbraw/zinc/16/41/62/297164162.db2.gz AXRKCCUZXLNUBP-JKIFEVAISA-N -1 1 291.391 3.092 20 0 CGADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CC(C)(C)O1 ZINC000068542189 286979349 /nfs/dbraw/zinc/97/93/49/286979349.db2.gz NGGVLMQYPHUVRJ-LBPRGKRZSA-N -1 1 299.370 3.185 20 0 CGADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000080716506 287068066 /nfs/dbraw/zinc/06/80/66/287068066.db2.gz ZKZLUJZXYMREOK-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Cc1cccc(C2=CCN(C(=O)c3cncc([O-])c3)CC2)c1 ZINC000092770380 287113329 /nfs/dbraw/zinc/11/33/29/287113329.db2.gz UGLKXNRETDAEPE-UHFFFAOYSA-N -1 1 294.354 3.025 20 0 CGADMM CC[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000111644741 287135682 /nfs/dbraw/zinc/13/56/82/287135682.db2.gz UYFVOLUSURCNHM-JSGCOSHPSA-N -1 1 299.370 3.185 20 0 CGADMM O=C(Nc1nc2c(s1)CCCC2)c1cc(F)ccc1[O-] ZINC000124047210 287228900 /nfs/dbraw/zinc/22/89/00/287228900.db2.gz ZFSDJPXHNQGNIW-UHFFFAOYSA-N -1 1 292.335 3.119 20 0 CGADMM O=C(Nc1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000006535914 170211214 /nfs/dbraw/zinc/21/12/14/170211214.db2.gz YDFWGGXKWPTFQD-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM CCN(C(=O)c1cc(Cl)ccc1[O-])C1CCCC1 ZINC000035208223 172054049 /nfs/dbraw/zinc/05/40/49/172054049.db2.gz XVOMLEZIOCUHQU-UHFFFAOYSA-N -1 1 267.756 3.450 20 0 CGADMM CCn1cc(NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000035238766 172077448 /nfs/dbraw/zinc/07/74/48/172077448.db2.gz DAYFIAJSQOQBMA-UHFFFAOYSA-N -1 1 281.315 3.014 20 0 CGADMM O=C([O-])c1ccc(NC(=O)c2ccc(O)c(Cl)c2)s1 ZINC000035426446 172194028 /nfs/dbraw/zinc/19/40/28/172194028.db2.gz VDYANHYMISEJGV-UHFFFAOYSA-N -1 1 297.719 3.058 20 0 CGADMM Cc1oc(C(C)C)nc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000285525984 196314014 /nfs/dbraw/zinc/31/40/14/196314014.db2.gz ANDCCJAOTLLWOG-UHFFFAOYSA-N -1 1 295.726 3.113 20 0 CGADMM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000037360294 173150124 /nfs/dbraw/zinc/15/01/24/173150124.db2.gz AOZSWXUWYVEHAW-NSHDSACASA-N -1 1 274.147 3.215 20 0 CGADMM CCCCc1nnc([N-]C(=O)c2c(F)cccc2F)s1 ZINC000044188303 175152690 /nfs/dbraw/zinc/15/26/90/175152690.db2.gz SSLKKRAFSQGRKY-UHFFFAOYSA-N -1 1 297.330 3.411 20 0 CGADMM C[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000128049351 287302144 /nfs/dbraw/zinc/30/21/44/287302144.db2.gz JLZAODTVZHKVHF-SECBINFHSA-N -1 1 298.180 3.169 20 0 CGADMM Cc1ccc(F)c(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000128605328 287314907 /nfs/dbraw/zinc/31/49/07/287314907.db2.gz MMXUIHAJSXKKQG-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@H](C)C1 ZINC000077320540 177252491 /nfs/dbraw/zinc/25/24/91/177252491.db2.gz VKXRJYMRTZQHPP-NXEZZACHSA-N -1 1 277.393 3.017 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c(C)c1 ZINC000078495955 177347044 /nfs/dbraw/zinc/34/70/44/177347044.db2.gz BAOFVYWDUSGUJW-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM C[C@H]1CN(Cc2ccc(F)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000311445364 416531788 /nfs/dbraw/zinc/53/17/88/416531788.db2.gz JZMSWPXNTSNLPO-GXSJLCMTSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H]1F ZINC000679260627 543609737 /nfs/dbraw/zinc/60/97/37/543609737.db2.gz ZKVGJRUYZXVZIE-ABAIWWIYSA-N -1 1 287.334 3.366 20 0 CGADMM CCC[C@@H]1C[C@H](C(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679562086 543647151 /nfs/dbraw/zinc/64/71/51/543647151.db2.gz ZXYIHKBOHYUFOC-GHMZBOCLSA-N -1 1 281.327 3.065 20 0 CGADMM COc1cccc([C@H](C)NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681017387 543758032 /nfs/dbraw/zinc/75/80/32/543758032.db2.gz VJZFVKWAOBPBEE-JTQLQIEISA-N -1 1 289.306 3.031 20 0 CGADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([O-])c(F)c1)CC2 ZINC000681043654 543759544 /nfs/dbraw/zinc/75/95/44/543759544.db2.gz QGOOTWDTIPZLAR-HNNXBMFYSA-N -1 1 285.318 3.257 20 0 CGADMM CC(C)c1cnc(NC(=O)c2ccc([O-])c(F)c2)s1 ZINC000681049540 543760114 /nfs/dbraw/zinc/76/01/14/543760114.db2.gz CSZXFTMYNXAXFL-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681046056 543760374 /nfs/dbraw/zinc/76/03/74/543760374.db2.gz FGQVPFFYDBCYHG-QFYYESIMSA-N -1 1 285.318 3.195 20 0 CGADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([O-])c(F)c1 ZINC000681047591 543760589 /nfs/dbraw/zinc/76/05/89/543760589.db2.gz PLNOJTQRRUFRPX-GYSYKLTISA-N -1 1 277.339 3.325 20 0 CGADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc([O-])c(F)c1 ZINC000681051101 543761124 /nfs/dbraw/zinc/76/11/24/543761124.db2.gz SDBYIXOAMBRZIF-NQBHXWOUSA-N -1 1 277.339 3.230 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)[C@@H]2CCCC[C@@H]21 ZINC000681066954 543762805 /nfs/dbraw/zinc/76/28/05/543762805.db2.gz BSBXTKXSZUEVIU-MPKXVKKWSA-N -1 1 277.339 3.182 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)[C@@H]2CCCC[C@H]21 ZINC000681066962 543763393 /nfs/dbraw/zinc/76/33/93/543763393.db2.gz BSBXTKXSZUEVIU-SCDSUCTJSA-N -1 1 277.339 3.182 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000682391211 543839557 /nfs/dbraw/zinc/83/95/57/543839557.db2.gz SGAYTFAMSIZWNH-PWSUYJOCSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@H]1CCC[C@H](NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000682391210 543840027 /nfs/dbraw/zinc/84/00/27/543840027.db2.gz SGAYTFAMSIZWNH-JQWIXIFHSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1nc(CC2CC2)oc1C(=O)Nc1c([O-])cccc1F ZINC000682810136 543870695 /nfs/dbraw/zinc/87/06/95/543870695.db2.gz QGTYFPNMYRYCAI-UHFFFAOYSA-N -1 1 290.294 3.033 20 0 CGADMM CSc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccn1 ZINC000685458451 544073443 /nfs/dbraw/zinc/07/34/43/544073443.db2.gz YFSLBDCGBZPEOM-UHFFFAOYSA-N -1 1 296.298 3.040 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(F)cc1 ZINC000652374916 418960387 /nfs/dbraw/zinc/96/03/87/418960387.db2.gz DFVLSIGTRKWLIE-UHFFFAOYSA-N -1 1 291.322 3.311 20 0 CGADMM CCN(CCCCCC(=O)[O-])Cc1c(F)cccc1F ZINC000652408131 418963418 /nfs/dbraw/zinc/96/34/18/418963418.db2.gz CPRHVFAAFCHHMT-UHFFFAOYSA-N -1 1 285.334 3.432 20 0 CGADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000655283523 419036877 /nfs/dbraw/zinc/03/68/77/419036877.db2.gz TTXNRBNXKAGPLM-GXSJLCMTSA-N -1 1 287.281 3.185 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC12CCCC2 ZINC000652580580 418983821 /nfs/dbraw/zinc/98/38/21/418983821.db2.gz UZESSQYDBWRUKV-UHFFFAOYSA-N -1 1 265.740 3.204 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1nc(C)c(C)s1 ZINC000652878284 418998669 /nfs/dbraw/zinc/99/86/69/418998669.db2.gz YRCWWAVEKTVICK-UHFFFAOYSA-N -1 1 279.390 3.129 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1oc(C(C)C)nc1C ZINC000652878099 418998962 /nfs/dbraw/zinc/99/89/62/418998962.db2.gz SILVJKLHJWUCQI-UHFFFAOYSA-N -1 1 291.376 3.476 20 0 CGADMM C[C@@H](N(C)C(=O)c1ncc2ccccc2c1[O-])C(C)(C)C ZINC000666034391 419181210 /nfs/dbraw/zinc/18/12/10/419181210.db2.gz DVIXSRWWQVIREW-LLVKDONJSA-N -1 1 286.375 3.447 20 0 CGADMM O=C([O-])[C@@H]1CCc2cc(-c3cc(C(F)(F)F)n[nH]3)ccc21 ZINC000657202878 419230899 /nfs/dbraw/zinc/23/08/99/419230899.db2.gz APKBEMUYJDUCLS-SNVBAGLBSA-N -1 1 296.248 3.210 20 0 CGADMM CC[C@@H]1CC[C@@H](C)N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000661861168 419307318 /nfs/dbraw/zinc/30/73/18/419307318.db2.gz NTSCPXJYYZXYGL-GHMZBOCLSA-N -1 1 291.420 3.407 20 0 CGADMM O=C(NCc1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000020369856 262247184 /nfs/dbraw/zinc/24/71/84/262247184.db2.gz PRPTYDJQSCUVOE-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM CCOCCN(CC)C(=O)c1cc2ccccc2cc1[O-] ZINC000107062446 270049180 /nfs/dbraw/zinc/04/91/80/270049180.db2.gz HDATUWMUMDFQDB-UHFFFAOYSA-N -1 1 287.359 3.044 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)c(F)c1 ZINC000186911743 270067339 /nfs/dbraw/zinc/06/73/39/270067339.db2.gz RTLCYUDFSFQSAE-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM C[C@@H]1CC(NC(=O)c2c([O-])cccc2F)C[C@@H](C)C1 ZINC000228853899 270088401 /nfs/dbraw/zinc/08/84/01/270088401.db2.gz DPXNKLXHFAMMOW-UWVGGRQHSA-N -1 1 265.328 3.086 20 0 CGADMM CCN(CC1CCC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000230319118 270089128 /nfs/dbraw/zinc/08/91/28/270089128.db2.gz GOLBLNWSEUAKOH-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)[C@@H]1C1CC1 ZINC000527927046 270144847 /nfs/dbraw/zinc/14/48/47/270144847.db2.gz QSAZWMLTAGBKON-BNGAFQBXSA-N -1 1 297.358 3.013 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000530713756 270202471 /nfs/dbraw/zinc/20/24/71/270202471.db2.gz NSNGFRKVUVUXSF-VIKVFOODSA-N -1 1 297.358 3.157 20 0 CGADMM CCc1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1[O-] ZINC000531198396 270205131 /nfs/dbraw/zinc/20/51/31/270205131.db2.gz NPJLKAYKXZBVPA-UHFFFAOYSA-N -1 1 283.327 3.410 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCCCC1(F)F ZINC000530005772 288281552 /nfs/dbraw/zinc/28/15/52/288281552.db2.gz NTJYUEONEVXTTL-MRVPVSSYSA-N -1 1 273.254 3.295 20 0 CGADMM C[C@H]1CCC[C@H]1CC(=O)Nc1cccc(F)c1[O-] ZINC000530006496 288282178 /nfs/dbraw/zinc/28/21/78/288282178.db2.gz SRELPIZGSLLZNT-UWVGGRQHSA-N -1 1 251.301 3.296 20 0 CGADMM CC[C@H]1CCC[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530007030 288282476 /nfs/dbraw/zinc/28/24/76/288282476.db2.gz YPTHAOCMADLDKH-VHSXEESVSA-N -1 1 251.301 3.296 20 0 CGADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])[C@H]2CCC[C@@H]21 ZINC000294118548 281219106 /nfs/dbraw/zinc/21/91/06/281219106.db2.gz CGAARVYGVLGXKH-STQMWFEESA-N -1 1 277.339 3.182 20 0 CGADMM COc1ccc(C(=O)Nc2cccc3c2ccn3C)c([O-])c1 ZINC000535795760 288463503 /nfs/dbraw/zinc/46/35/03/288463503.db2.gz BFTYRGUUSMCPGE-UHFFFAOYSA-N -1 1 296.326 3.145 20 0 CGADMM COc1ccc2c(c1)CCCCN2C(=O)c1ccccc1[O-] ZINC000362051465 295257803 /nfs/dbraw/zinc/25/78/03/295257803.db2.gz DBWRXYVGMQQNFB-UHFFFAOYSA-N -1 1 297.354 3.384 20 0 CGADMM Cc1cc(N2CC(C(=O)[O-])C2)c2cc(Cl)cc(C)c2n1 ZINC000416444693 301331930 /nfs/dbraw/zinc/33/19/30/301331930.db2.gz ZCMRJIVVWQKXTQ-UHFFFAOYSA-N -1 1 290.750 3.026 20 0 CGADMM Cc1ccc(-n2cccn2)cc1NC(=O)c1ccccc1[O-] ZINC000191430257 301477615 /nfs/dbraw/zinc/47/76/15/301477615.db2.gz KIPNJAGJMLXAPX-UHFFFAOYSA-N -1 1 293.326 3.139 20 0 CGADMM COc1cccc(CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000188138939 327745487 /nfs/dbraw/zinc/74/54/87/327745487.db2.gz LYOMWLWDRONCAV-UHFFFAOYSA-N -1 1 288.372 3.361 20 0 CGADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)C1CCCC1 ZINC000153596401 321722580 /nfs/dbraw/zinc/72/25/80/321722580.db2.gz NZIQTAZOLPRYIR-UHFFFAOYSA-N -1 1 297.782 3.459 20 0 CGADMM COc1cccc([C@H](C)Sc2ncc(C)c(=O)[n-]2)c1 ZINC000563440743 321998370 /nfs/dbraw/zinc/99/83/70/321998370.db2.gz ROYFKABWZDOLLB-JTQLQIEISA-N -1 1 276.361 3.353 20 0 CGADMM O=C([O-])[C@@H](c1ccccc1)N1CCC[C@@H]1c1ccco1 ZINC000564575709 322034930 /nfs/dbraw/zinc/03/49/30/322034930.db2.gz GRWKENBTUNGVAW-UKRRQHHQSA-N -1 1 271.316 3.242 20 0 CGADMM O=C(Nc1ccc(C2CCC2)cc1)c1cncc([O-])c1 ZINC000568662515 322217605 /nfs/dbraw/zinc/21/76/05/322217605.db2.gz ZCYPTUCJKOERMF-UHFFFAOYSA-N -1 1 268.316 3.307 20 0 CGADMM Cc1ccc(OC(F)F)c(C[N@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000569700957 322254821 /nfs/dbraw/zinc/25/48/21/322254821.db2.gz OGEXPFPMFGARKV-LBPRGKRZSA-N -1 1 299.317 3.036 20 0 CGADMM C[C@H]1CCC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000570248787 322268775 /nfs/dbraw/zinc/26/87/75/322268775.db2.gz QUBYSCKJWIWODI-VHSXEESVSA-N -1 1 283.318 3.369 20 0 CGADMM CCc1ccc(CN(C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000571409701 322298075 /nfs/dbraw/zinc/29/80/75/322298075.db2.gz KYSBJHQNARQZDH-UHFFFAOYSA-N -1 1 273.332 3.172 20 0 CGADMM CCc1nc(SCC2(OC)CCCC2)[n-]c(=O)c1C ZINC000572856765 322358389 /nfs/dbraw/zinc/35/83/89/322358389.db2.gz GQPMBLLBMRWOFG-UHFFFAOYSA-N -1 1 282.409 3.104 20 0 CGADMM CCc1cnc(CNC(=O)c2ccc3ccccc3c2[O-])o1 ZINC000389101782 328617166 /nfs/dbraw/zinc/61/71/66/328617166.db2.gz LHTAKJCJOLWBHN-UHFFFAOYSA-N -1 1 296.326 3.026 20 0 CGADMM [O-]c1cccnc1CN1CCCn2c(cc3ccccc32)C1 ZINC000583051736 329303681 /nfs/dbraw/zinc/30/36/81/329303681.db2.gz DUFTXXDRPSRLFA-UHFFFAOYSA-N -1 1 293.370 3.148 20 0 CGADMM Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)n1 ZINC000192593302 335280451 /nfs/dbraw/zinc/28/04/51/335280451.db2.gz KZVJOWGEQRBSBZ-OFQRWUPVSA-N -1 1 297.402 3.430 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CCC[C@H](O)C3)n2)c(Cl)c1 ZINC000350605677 335519914 /nfs/dbraw/zinc/51/99/14/335519914.db2.gz HAJAKPJMQDEWAA-IUCAKERBSA-N -1 1 294.738 3.114 20 0 CGADMM [O-]c1cccnc1CN(Cc1ccccc1)CC(F)F ZINC000579290162 335731620 /nfs/dbraw/zinc/73/16/20/335731620.db2.gz GVMKJSBASLPRMH-UHFFFAOYSA-N -1 1 278.302 3.055 20 0 CGADMM CC(C)[C@@H](C)SCCC(=O)c1ccc([O-])cc1O ZINC000581261275 336033954 /nfs/dbraw/zinc/03/39/54/336033954.db2.gz NYFCKBRAHCJGHR-SNVBAGLBSA-N -1 1 268.378 3.448 20 0 CGADMM C[C@H]1CC[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000381748154 336072376 /nfs/dbraw/zinc/07/23/76/336072376.db2.gz QSORLVFARWMQCS-HZMBPMFUSA-N -1 1 255.317 3.074 20 0 CGADMM CCOc1ccc(CN(C)Cc2ccoc2C(=O)[O-])cc1 ZINC000581434496 336077176 /nfs/dbraw/zinc/07/71/76/336077176.db2.gz AUMITLFPDSLPJI-UHFFFAOYSA-N -1 1 289.331 3.009 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@@H]2C[C@H]2C)c1 ZINC000581579872 336105521 /nfs/dbraw/zinc/10/55/21/336105521.db2.gz VERALIAWTLBKKA-BDAKNGLRSA-N -1 1 298.180 3.448 20 0 CGADMM CO[C@@H](C)c1nc(=NCC(C(C)C)C(C)C)s[n-]1 ZINC000385451790 336146989 /nfs/dbraw/zinc/14/69/89/336146989.db2.gz ZLRZCURAOCCRKS-JTQLQIEISA-N -1 1 271.430 3.008 20 0 CGADMM O=C(N[C@@H]1CC12CCCC2)c1cc(Cl)ccc1[O-] ZINC000387059014 336184438 /nfs/dbraw/zinc/18/44/38/336184438.db2.gz VCFSDEHBVPRNGG-GFCCVEGCSA-N -1 1 265.740 3.108 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CCc2ccccc2[C@@H]1C ZINC000582008394 336190516 /nfs/dbraw/zinc/19/05/16/336190516.db2.gz LIWJIYWFVAOEKA-NSHDSACASA-N -1 1 285.343 3.406 20 0 CGADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1cccc(O)c1 ZINC000170802595 533752060 /nfs/dbraw/zinc/75/20/60/533752060.db2.gz SOAFCOWIQQKRLU-VIFPVBQESA-N -1 1 291.734 3.242 20 0 CGADMM C[C@H](CCCC(F)(F)F)NC(=O)c1ccc([O-])cc1F ZINC000436820991 533837475 /nfs/dbraw/zinc/83/74/75/533837475.db2.gz JLZZKVAPLTVSSA-MRVPVSSYSA-N -1 1 293.260 3.382 20 0 CGADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1F ZINC000426788685 534078145 /nfs/dbraw/zinc/07/81/45/534078145.db2.gz ORLOLROWXKZDEV-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)C(C)(F)F)[nH][n-]2)s1 ZINC000449834752 534166097 /nfs/dbraw/zinc/16/60/97/534166097.db2.gz MLTFQRFIUGPRBM-MRVPVSSYSA-N -1 1 299.346 3.098 20 0 CGADMM C[C@@]1(F)CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000449349867 534271605 /nfs/dbraw/zinc/27/16/05/534271605.db2.gz KPNSAJODZFLSGI-CYBMUJFWSA-N -1 1 257.736 3.370 20 0 CGADMM O=C([O-])[C@@H](NCc1cccc(Cl)c1F)c1ccsc1 ZINC000426795205 534515691 /nfs/dbraw/zinc/51/56/91/534515691.db2.gz XBKBQDAZNUWOSI-LBPRGKRZSA-N -1 1 299.754 3.456 20 0 CGADMM Cc1nc(SCc2cc(F)cc(F)c2)[n-]c(=O)c1C ZINC000445611502 534532425 /nfs/dbraw/zinc/53/24/25/534532425.db2.gz XUGXVVQWPVZTCZ-UHFFFAOYSA-N -1 1 282.315 3.370 20 0 CGADMM O=C([O-])c1coc(CNCc2ccc3ccccc3c2)c1 ZINC000426714659 534551724 /nfs/dbraw/zinc/55/17/24/534551724.db2.gz NOVPKMNGLAPVFX-UHFFFAOYSA-N -1 1 281.311 3.421 20 0 CGADMM O=C(N[C@H]1CCCc2occc21)c1ccc(Cl)cc1[O-] ZINC000436723376 534806213 /nfs/dbraw/zinc/80/62/13/534806213.db2.gz TZWLVIYUEXHDGD-LBPRGKRZSA-N -1 1 291.734 3.446 20 0 CGADMM O=C(CCC(F)(F)F)Nc1ccc([O-])c(Cl)c1 ZINC000088833887 526394148 /nfs/dbraw/zinc/39/41/48/526394148.db2.gz ODGSWCBZNPSFPZ-UHFFFAOYSA-N -1 1 267.634 3.327 20 0 CGADMM CCO[C@H](CCNC(=O)c1ccc(Cl)cc1[O-])C(C)C ZINC000436584458 528048569 /nfs/dbraw/zinc/04/85/69/528048569.db2.gz JEIFIGPYNYNUTD-CQSZACIVSA-N -1 1 299.798 3.227 20 0 CGADMM CCCCCN(CCCOC)C(=O)c1cc(F)ccc1[O-] ZINC000436628074 528170422 /nfs/dbraw/zinc/17/04/22/528170422.db2.gz NYOMCFCNBTXJDI-UHFFFAOYSA-N -1 1 297.370 3.200 20 0 CGADMM CCCCCOC1CN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436572405 528220793 /nfs/dbraw/zinc/22/07/93/528220793.db2.gz FVJWDPRLFUFQAO-UHFFFAOYSA-N -1 1 297.782 3.077 20 0 CGADMM CC(C)[C@@H](C)Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445456458 528397218 /nfs/dbraw/zinc/39/72/18/528397218.db2.gz UWPDQHALTCUYEZ-VIFPVBQESA-N -1 1 264.300 3.416 20 0 CGADMM CCC(C)(C)CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436870689 528528749 /nfs/dbraw/zinc/52/87/49/528528749.db2.gz HYXXVGGWMCCCRG-UHFFFAOYSA-N -1 1 285.771 3.220 20 0 CGADMM CCC[C@@H](CC(C)C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000449266951 528913096 /nfs/dbraw/zinc/91/30/96/528913096.db2.gz XUGBBPIMCUMNFV-QMMMGPOBSA-N -1 1 292.305 3.224 20 0 CGADMM CC1(C)CC[C@H](CNC(=O)c2cc3ccccc3cc2[O-])O1 ZINC000436780834 529042966 /nfs/dbraw/zinc/04/29/66/529042966.db2.gz GWOJTVNLGUUMKX-CQSZACIVSA-N -1 1 299.370 3.233 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCC(F)(F)C2)n1 ZINC000450903986 536155464 /nfs/dbraw/zinc/15/54/64/536155464.db2.gz DGSNLHLUGVRJFD-MRVPVSSYSA-N -1 1 274.336 3.272 20 0 CGADMM O=C([O-])c1ccc(CNCc2ccc3ccccc3c2)o1 ZINC000740133046 571696724 /nfs/dbraw/zinc/69/67/24/571696724.db2.gz SASUMENFLARLDX-UHFFFAOYSA-N -1 1 281.311 3.421 20 0 CGADMM C/C=C/COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360542 572346053 /nfs/dbraw/zinc/34/60/53/572346053.db2.gz KCANYSBTEGBDLE-NSCUHMNNSA-N -1 1 261.104 3.432 20 0 CGADMM C[C@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccn1 ZINC000738225388 572366444 /nfs/dbraw/zinc/36/64/44/572366444.db2.gz RFOWYLCLOBCMKI-IINYFYTJSA-N -1 1 290.750 3.212 20 0 CGADMM Cc1cc(CN(C)[C@@H](C)c2cccc(O)c2)oc1C(=O)[O-] ZINC000738378223 572373302 /nfs/dbraw/zinc/37/33/02/572373302.db2.gz CGKMEFXVZNCNIV-NSHDSACASA-N -1 1 289.331 3.185 20 0 CGADMM Cc1oc(CNC2(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000738979499 572398625 /nfs/dbraw/zinc/39/86/25/572398625.db2.gz BKWVDMWBVZOJEY-UHFFFAOYSA-N -1 1 271.316 3.065 20 0 CGADMM O=C([O-])c1occc1CNC1(c2ccc(F)cc2)CCC1 ZINC000740280626 572438752 /nfs/dbraw/zinc/43/87/52/572438752.db2.gz DJYQANRMYDQAAG-UHFFFAOYSA-N -1 1 289.306 3.286 20 0 CGADMM O=C(N[C@@H]1CCCC1(F)F)c1ccc2ccccc2c1[O-] ZINC000398287204 572499496 /nfs/dbraw/zinc/49/94/96/572499496.db2.gz ZFYSBVXTSKZXMN-CYBMUJFWSA-N -1 1 291.297 3.463 20 0 CGADMM O=C(OCc1ccc(F)cc1)c1c([O-])cc(F)cc1F ZINC000745522857 572818989 /nfs/dbraw/zinc/81/89/89/572818989.db2.gz RFACIYTTXHFREH-UHFFFAOYSA-N -1 1 282.217 3.167 20 0 CGADMM C[C@@H]1c2ccccc2OCCN1Cc1cccc(C(=O)[O-])c1 ZINC000736839568 572821038 /nfs/dbraw/zinc/82/10/38/572821038.db2.gz CSVLEUVRRZNOIC-CYBMUJFWSA-N -1 1 297.354 3.340 20 0 CGADMM CC[C@H](NCc1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000736921077 572825293 /nfs/dbraw/zinc/82/52/93/572825293.db2.gz VPBYSLZWXASSFL-ZDUSSCGKSA-N -1 1 277.295 3.358 20 0 CGADMM CCCC[C@H](Nc1cccc2c1CN(CCC)C2)C(=O)[O-] ZINC000736983023 572832598 /nfs/dbraw/zinc/83/25/98/572832598.db2.gz XEDURWNQEJQFKA-INIZCTEOSA-N -1 1 290.407 3.468 20 0 CGADMM CC[C@@H](NCc1cccc(C(=O)[O-])c1)c1c(C)noc1C ZINC000263392798 598204835 /nfs/dbraw/zinc/20/48/35/598204835.db2.gz FSUDZFARBLPFMC-CQSZACIVSA-N -1 1 288.347 3.231 20 0 CGADMM CC[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)C(C)C ZINC000820925921 599492328 /nfs/dbraw/zinc/49/23/28/599492328.db2.gz NGSYBNLODVJFFD-GFCCVEGCSA-N -1 1 296.378 3.261 20 0 CGADMM CC[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)C(C)C ZINC000820925921 599492330 /nfs/dbraw/zinc/49/23/30/599492330.db2.gz NGSYBNLODVJFFD-GFCCVEGCSA-N -1 1 296.378 3.261 20 0 CGADMM C/C(=C\CN(C)[C@@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000214566662 601051369 /nfs/dbraw/zinc/05/13/69/601051369.db2.gz MAICGKBRFGOZSA-UQSGXBNBSA-N -1 1 267.756 3.364 20 0 CGADMM C[C@H]1c2ccccc2CN1Cc1cccc(C(=O)[O-])c1 ZINC000828526792 601116654 /nfs/dbraw/zinc/11/66/54/601116654.db2.gz DFDWOOHFLJYKKW-LBPRGKRZSA-N -1 1 267.328 3.462 20 0 CGADMM O=C([O-])c1sccc1CNC1(c2ccc(F)cc2)CC1 ZINC000833348899 601645659 /nfs/dbraw/zinc/64/56/59/601645659.db2.gz UNXLEQUUHIDOGD-UHFFFAOYSA-N -1 1 291.347 3.364 20 0 CGADMM O=C([O-])c1ccc(CN[C@H]2CCCc3sccc32)o1 ZINC000071396296 604329626 /nfs/dbraw/zinc/32/96/26/604329626.db2.gz ZJRMSHVVRWRACF-NSHDSACASA-N -1 1 277.345 3.207 20 0 CGADMM O=C([O-])c1cccc(CN2CCc3cc(F)ccc3C2)c1 ZINC000833783395 604577986 /nfs/dbraw/zinc/57/79/86/604577986.db2.gz BYUSQYNAHCIXHB-UHFFFAOYSA-N -1 1 285.318 3.082 20 0 CGADMM CC1(C)CN(Cc2c[nH]c(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000833560993 604608413 /nfs/dbraw/zinc/60/84/13/604608413.db2.gz DHBDTBWAMWDLFY-HNNXBMFYSA-N -1 1 284.359 3.296 20 0 CGADMM C[C@H](c1ccco1)N(Cc1c[nH]c(C(=O)[O-])c1)C1CC1 ZINC000833549311 604608852 /nfs/dbraw/zinc/60/88/52/604608852.db2.gz KUUOVAGOJJGXLQ-SNVBAGLBSA-N -1 1 274.320 3.032 20 0 CGADMM Cc1occc1CN[C@H]1C[C@@H](NC(=O)[O-])c2ccccc21 ZINC000833939178 605793598 /nfs/dbraw/zinc/79/35/98/605793598.db2.gz ROGYOTUZYYHNMD-LSDHHAIUSA-N -1 1 286.331 3.131 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CN2CCCCC[C@H]2C(=O)[O-])o1 ZINC000252172194 605928165 /nfs/dbraw/zinc/92/81/65/605928165.db2.gz RJELWSDGZMMOOW-XBFCOCLRSA-N -1 1 277.364 3.232 20 0 CGADMM Cc1ccccc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822366595 606438869 /nfs/dbraw/zinc/43/88/69/606438869.db2.gz OOEGHCMFGMGBJT-UHFFFAOYSA-N -1 1 287.710 3.016 20 0 CGADMM Cc1ccccc1Oc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822366595 606438871 /nfs/dbraw/zinc/43/88/71/606438871.db2.gz OOEGHCMFGMGBJT-UHFFFAOYSA-N -1 1 287.710 3.016 20 0 CGADMM Cc1ccccc1COC(=O)c1c([O-])cc(F)cc1F ZINC000063543301 617616950 /nfs/dbraw/zinc/61/69/50/617616950.db2.gz BIUPWBQKRFXKKV-UHFFFAOYSA-N -1 1 278.254 3.336 20 0 CGADMM Cc1cc(NC(=O)c2ccccc2[O-])c(C)c(C)c1O ZINC000185625052 619063482 /nfs/dbraw/zinc/06/34/82/619063482.db2.gz CEMNRNRLONSRFY-UHFFFAOYSA-N -1 1 271.316 3.275 20 0 CGADMM CCCC[C@@H](CC)C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000067071636 619324895 /nfs/dbraw/zinc/32/48/95/619324895.db2.gz WENFYMOCEXJNRI-LLVKDONJSA-N -1 1 298.456 3.354 20 0 CGADMM CC(C)(/C=C/Cl)NC(=O)c1c([O-])cccc1Cl ZINC000928929809 620267094 /nfs/dbraw/zinc/26/70/94/620267094.db2.gz LVMGUBCRVQNBJW-VOTSOKGWSA-N -1 1 274.147 3.307 20 0 CGADMM CCCC[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000263410000 620316756 /nfs/dbraw/zinc/31/67/56/620316756.db2.gz LCHJWOXXWPCVFA-DRZSPHRISA-N -1 1 265.353 3.136 20 0 CGADMM Cc1cc(F)c(CN2CC[C@](C)(C(=O)[O-])C2)c(Cl)c1 ZINC000263532535 620324419 /nfs/dbraw/zinc/32/44/19/620324419.db2.gz XJFDIBZDOOOVIM-AWEZNQCLSA-N -1 1 285.746 3.084 20 0 CGADMM CCON(C(=O)c1ccc2ccc(O)cc2c1[O-])C(C)C ZINC000898090728 620475107 /nfs/dbraw/zinc/47/51/07/620475107.db2.gz SFHDRQYMTSZKSE-UHFFFAOYSA-N -1 1 289.331 3.053 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])no1)[C@@H](C)c1ccc(F)cc1 ZINC000901429001 620885878 /nfs/dbraw/zinc/88/58/78/620885878.db2.gz PQDBZXZOYZYZNX-JTQLQIEISA-N -1 1 292.310 3.095 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])cc1)C[C@H]1CC1(Cl)Cl ZINC000901590404 620938751 /nfs/dbraw/zinc/93/87/51/620938751.db2.gz JHSTUISMPAOYCE-LLVKDONJSA-N -1 1 288.174 3.010 20 0 CGADMM CC[C@H](C)C[C@H](N[C@H](C)c1cc2cnccc2o1)C(=O)[O-] ZINC000901675658 620965098 /nfs/dbraw/zinc/96/50/98/620965098.db2.gz NNPCMVRNQCDADR-LOWVWBTDSA-N -1 1 290.363 3.368 20 0 CGADMM CC(C)N(CCC(=O)[O-])Cc1ncc(C(C)(C)C)s1 ZINC000901978018 621090642 /nfs/dbraw/zinc/09/06/42/621090642.db2.gz DBQGVNKIRAMHOO-UHFFFAOYSA-N -1 1 284.425 3.126 20 0 CGADMM O=C([O-])c1coc(CN[C@@H](c2cccs2)C2CC2)c1 ZINC000902084575 621130441 /nfs/dbraw/zinc/13/04/41/621130441.db2.gz NWTPPUWLISHMBA-CYBMUJFWSA-N -1 1 277.345 3.280 20 0 CGADMM Cc1ccc2c(c1)[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)CC2 ZINC000902230710 621204084 /nfs/dbraw/zinc/20/40/84/621204084.db2.gz KNAKZAMGKRKBNX-NBEHIINDSA-N -1 1 297.354 3.463 20 0 CGADMM Cc1scc(CNCc2ccc(/C=C/C(=O)[O-])o2)c1C ZINC000902263248 621215966 /nfs/dbraw/zinc/21/59/66/621215966.db2.gz MLRNRIITUOLVOZ-AATRIKPKSA-N -1 1 291.372 3.346 20 0 CGADMM O=C([O-])c1csc(CNC2(c3ccccc3F)CC2)c1 ZINC000902291255 621230593 /nfs/dbraw/zinc/23/05/93/621230593.db2.gz FDFQVBBZRCTKTD-UHFFFAOYSA-N -1 1 291.347 3.364 20 0 CGADMM CC[C@@H](CC(F)(F)F)NCc1cc(C(=O)[O-])c(C)o1 ZINC000902335346 621269773 /nfs/dbraw/zinc/26/97/73/621269773.db2.gz GYVSSIRXSDQZPZ-QMMMGPOBSA-N -1 1 279.258 3.107 20 0 CGADMM O=C([O-])c1coc(CN[C@H]2CCc3ccc(Cl)cc32)c1 ZINC000902371355 621277129 /nfs/dbraw/zinc/27/71/29/621277129.db2.gz XNKFVKACRCRLAS-AWEZNQCLSA-N -1 1 291.734 3.408 20 0 CGADMM O=C([O-])c1ccc(CN[C@H]2CCCc3ccc(F)cc32)o1 ZINC000902398654 621304962 /nfs/dbraw/zinc/30/49/62/621304962.db2.gz STHRBYDZVKZRLI-AWEZNQCLSA-N -1 1 289.306 3.284 20 0 CGADMM Cc1cccc(C2(NCc3ccc(C(=O)[O-])o3)CCC2)c1 ZINC000902443370 621321936 /nfs/dbraw/zinc/32/19/36/621321936.db2.gz KVBQPWCIOBBPNI-UHFFFAOYSA-N -1 1 285.343 3.455 20 0 CGADMM CC1CCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])CC1 ZINC000903884968 621826696 /nfs/dbraw/zinc/82/66/96/621826696.db2.gz FCACIUOKQRWQGP-UHFFFAOYSA-N -1 1 291.269 3.229 20 0 CGADMM CCCCc1oc2ccccc2c1CNC[C@H](F)C(=O)[O-] ZINC000904043609 621858499 /nfs/dbraw/zinc/85/84/99/621858499.db2.gz VMAUUESKXMDYBV-ZDUSSCGKSA-N -1 1 293.338 3.288 20 0 CGADMM Cc1cc(CN[C@H](CC(=O)[O-])c2ccccc2F)c(C)o1 ZINC000904046135 621859221 /nfs/dbraw/zinc/85/92/21/621859221.db2.gz VVQNMBBCFBCGEM-OAHLLOKOSA-N -1 1 291.322 3.341 20 0 CGADMM COc1cnc(C=Cc2cnc(C3CCC3)s2)[n-]c1=O ZINC000905076150 622036874 /nfs/dbraw/zinc/03/68/74/622036874.db2.gz BACDUUSSPSFJEK-WAYWQWQTSA-N -1 1 289.360 3.085 20 0 CGADMM O=C([O-])c1ccc(CNC/C=C\Cl)c(C(F)(F)F)c1 ZINC000905809933 622112644 /nfs/dbraw/zinc/11/26/44/622112644.db2.gz GDZIVOKROLQSGL-RJRFIUFISA-N -1 1 293.672 3.246 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCOC2(CCCC2)C1 ZINC000907140066 622284151 /nfs/dbraw/zinc/28/41/51/622284151.db2.gz RPPCLDGVHNPTOX-NSHDSACASA-N -1 1 293.338 3.209 20 0 CGADMM CC(C)[C@H](F)C(=O)Nc1cccc([O-])c1Br ZINC000908709389 622369327 /nfs/dbraw/zinc/36/93/27/622369327.db2.gz IVVHHOPNJSKGCO-JTQLQIEISA-N -1 1 290.132 3.087 20 0 CGADMM CC(C)C[C@@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986051 622440710 /nfs/dbraw/zinc/44/07/10/622440710.db2.gz YAIOGVABFKPLAM-MRVPVSSYSA-N -1 1 257.280 3.291 20 0 CGADMM CCCC1(C(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC000909984784 622441755 /nfs/dbraw/zinc/44/17/55/622441755.db2.gz TUNLVBMXXZSCGY-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM O=C(C=C1CCCCC1)Nc1cc([O-])c(F)cc1F ZINC000909977770 622441983 /nfs/dbraw/zinc/44/19/83/622441983.db2.gz KMUADTCVSUUKCM-UHFFFAOYSA-N -1 1 267.275 3.499 20 0 CGADMM CCC1(C(=O)Nc2cc([O-])c(F)cc2F)CCC1 ZINC000909982804 622444282 /nfs/dbraw/zinc/44/42/82/622444282.db2.gz MGNXWYOIPOYDFS-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM C[C@H]1CCC[C@@H](OCC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909981455 622445126 /nfs/dbraw/zinc/44/51/26/622445126.db2.gz QFNACGXGKWVFDU-VHSXEESVSA-N -1 1 299.317 3.204 20 0 CGADMM CC1(C)CC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988423 622445699 /nfs/dbraw/zinc/44/56/99/622445699.db2.gz JPXWTYUNOZCWIN-ZETCQYMHSA-N -1 1 255.264 3.045 20 0 CGADMM CCC[C@@H]1C[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])CCO1 ZINC000910983009 622513211 /nfs/dbraw/zinc/51/32/11/622513211.db2.gz OEXYXXPVONAWSN-MWLCHTKSSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCC(F)(F)C1 ZINC000910994372 622513803 /nfs/dbraw/zinc/51/38/03/622513803.db2.gz SULDOJWLFQFSRP-ZCFIWIBFSA-N -1 1 277.217 3.044 20 0 CGADMM COCC1(C(=O)Nc2cc(F)cc(F)c2[O-])CCCCC1 ZINC000910991331 622514506 /nfs/dbraw/zinc/51/45/06/622514506.db2.gz IJBMTWYPRPVZJS-UHFFFAOYSA-N -1 1 299.317 3.206 20 0 CGADMM CC[C@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769978167 625581653 /nfs/dbraw/zinc/58/16/53/625581653.db2.gz SUSAIZWQAHSPAF-ONGXEEELSA-N -1 1 267.756 3.354 20 0 CGADMM Cc1ccc(CN[C@@]2(C(=O)[O-])CCc3ccccc32)s1 ZINC000050227151 623041099 /nfs/dbraw/zinc/04/10/99/623041099.db2.gz MJANRTBHWINPRL-INIZCTEOSA-N -1 1 287.384 3.072 20 0 CGADMM CC[C@H](CO)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000917468349 624274548 /nfs/dbraw/zinc/27/45/48/624274548.db2.gz MCHKHKMYJNQZOC-GFCCVEGCSA-N -1 1 290.388 3.021 20 0 CGADMM O=C([N-]c1c(F)cccc1F)c1scnc1Cl ZINC000920078782 624443419 /nfs/dbraw/zinc/44/34/19/624443419.db2.gz UFERTXYYCFEFBQ-UHFFFAOYSA-N -1 1 274.679 3.327 20 0 CGADMM O=C([N-]c1ccccc1SC(F)F)c1cnco1 ZINC000758153774 626831292 /nfs/dbraw/zinc/83/12/92/626831292.db2.gz AXBBCUXJBROGEL-UHFFFAOYSA-N -1 1 270.260 3.242 20 0 CGADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1c([O-])cccc1Cl ZINC000762534925 627114894 /nfs/dbraw/zinc/11/48/94/627114894.db2.gz FELCFEKWYBABNQ-SNVBAGLBSA-N -1 1 279.767 3.450 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H]2CCc3ccccc3C2)n1 ZINC000767057497 627378752 /nfs/dbraw/zinc/37/87/52/627378752.db2.gz MZYULDSUIKKRIX-AWEZNQCLSA-N -1 1 286.400 3.394 20 0 CGADMM CCC(CC)N(CCOC)C(=O)c1c([O-])cccc1Cl ZINC000769709231 627573893 /nfs/dbraw/zinc/57/38/93/627573893.db2.gz NKXDVDRTBVJBNL-UHFFFAOYSA-N -1 1 299.798 3.323 20 0 CGADMM Cc1ccc(N(C)C(=O)c2cc(F)ccc2[O-])cc1C ZINC000769715889 627574178 /nfs/dbraw/zinc/57/41/78/627574178.db2.gz ZVZYKYYZOANFQZ-UHFFFAOYSA-N -1 1 273.307 3.425 20 0 CGADMM C[C@H]1CCC[C@H](C)N1C(=O)c1c([O-])cccc1Cl ZINC000769762285 627576408 /nfs/dbraw/zinc/57/64/08/627576408.db2.gz ATTGIQSQQGZHKM-UWVGGRQHSA-N -1 1 267.756 3.449 20 0 CGADMM Cc1cnc([C@@H](C)O[N-]C(=O)CCC2CCCCC2)o1 ZINC000770692713 627638238 /nfs/dbraw/zinc/63/82/38/627638238.db2.gz OBEZKVWPXKYDFS-GFCCVEGCSA-N -1 1 280.368 3.452 20 0 CGADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1c([O-])cccc1Cl ZINC000772869664 627829599 /nfs/dbraw/zinc/82/95/99/627829599.db2.gz FAYVMWSIPLRBNJ-VHSXEESVSA-N -1 1 267.756 3.449 20 0 CGADMM CCC(=O)[C@@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000773537887 627895894 /nfs/dbraw/zinc/89/58/94/627895894.db2.gz JPBOYLYYYPSDEB-NSHDSACASA-N -1 1 295.766 3.019 20 0 CGADMM O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc([O-])cc1F ZINC000776124162 628170486 /nfs/dbraw/zinc/17/04/86/628170486.db2.gz PLNJZNIIDISIBM-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM Cc1cc2cc(C=C3SC(=O)[N-]C3=O)oc2cc1C ZINC000874928276 634653926 /nfs/dbraw/zinc/65/39/26/634653926.db2.gz NNPKMSHPXFDRQR-WUXMJOGZSA-N -1 1 273.313 3.374 20 0 CGADMM O=Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cs1 ZINC000780992218 628528755 /nfs/dbraw/zinc/52/87/55/628528755.db2.gz NVBQVBAHGYXCEB-UHFFFAOYSA-N -1 1 281.720 3.172 20 0 CGADMM CCc1oc(C(=O)Nc2nc(Cl)ccc2[O-])cc1C ZINC000789929790 629174756 /nfs/dbraw/zinc/17/47/56/629174756.db2.gz GIKRBTBKEUFBLW-UHFFFAOYSA-N -1 1 280.711 3.157 20 0 CGADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790048518 629179807 /nfs/dbraw/zinc/17/98/07/629179807.db2.gz RQWRSHLRXZVXGR-RKDXNWHRSA-N -1 1 268.744 3.205 20 0 CGADMM CC1(C)CC[C@@H](C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000790057489 629181186 /nfs/dbraw/zinc/18/11/86/629181186.db2.gz XUPVNOLXERERFY-MRVPVSSYSA-N -1 1 268.744 3.205 20 0 CGADMM CCCCCC[C@@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000798158336 630028067 /nfs/dbraw/zinc/02/80/67/630028067.db2.gz XRAZDGMJNZHFME-GFCCVEGCSA-N -1 1 277.364 3.050 20 0 CGADMM Cc1nc(SCc2cscn2)[n-]c(=O)c1C1CC1 ZINC000865372977 630081040 /nfs/dbraw/zinc/08/10/40/630081040.db2.gz ALVPTRUPFSRIJQ-UHFFFAOYSA-N -1 1 279.390 3.117 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccoc1C1CC1 ZINC000798996623 630133346 /nfs/dbraw/zinc/13/33/46/630133346.db2.gz PZUKPRIABXERFK-UHFFFAOYSA-N -1 1 278.695 3.163 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000836882453 634822208 /nfs/dbraw/zinc/82/22/08/634822208.db2.gz AAPHEPQVMAAEFX-IAQYHMDHSA-N -1 1 291.778 3.306 20 0 CGADMM C[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)C(C)(C)C ZINC000809679472 630778646 /nfs/dbraw/zinc/77/86/46/630778646.db2.gz HQFNRHVOQUZVJR-QMMMGPOBSA-N -1 1 271.307 3.082 20 0 CGADMM O=C(Nc1cc(C2CC2)ccn1)c1ccc([O-])c(F)c1 ZINC000812358965 631240070 /nfs/dbraw/zinc/24/00/70/631240070.db2.gz QTQZMNFAMDCWEQ-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC000816980212 632069043 /nfs/dbraw/zinc/06/90/43/632069043.db2.gz HGVXDLSUKNLFJH-FZMZJTMJSA-N -1 1 267.344 3.413 20 0 CGADMM C[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)[C@H](C)C1 ZINC000819683489 632500587 /nfs/dbraw/zinc/50/05/87/632500587.db2.gz MTOKDNJDRQPNPA-NXEZZACHSA-N -1 1 267.756 3.306 20 0 CGADMM COc1cnc(C=Cc2ccc(Cl)cc2)[n-]c1=O ZINC000821008227 632711220 /nfs/dbraw/zinc/71/12/20/632711220.db2.gz ODVHQRDKVJUMNS-QPJJXVBHSA-N -1 1 262.696 3.015 20 0 CGADMM COc1cnc(C=Cc2cc(C)c(C)cc2C)[n-]c1=O ZINC000821008922 632711563 /nfs/dbraw/zinc/71/15/63/632711563.db2.gz UPGYMCYBITVEEU-WAYWQWQTSA-N -1 1 270.332 3.286 20 0 CGADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NCC(C)C)c1 ZINC000825011799 633317692 /nfs/dbraw/zinc/31/76/92/633317692.db2.gz XZRQRLJXPUDNDP-UHFFFAOYSA-N -1 1 288.313 3.241 20 0 CGADMM O=C(CC(F)(F)C(F)(F)F)Nc1cccc(F)c1[O-] ZINC000869445729 633445845 /nfs/dbraw/zinc/44/58/45/633445845.db2.gz KIFRBECSTKVGOY-UHFFFAOYSA-N -1 1 287.159 3.058 20 0 CGADMM O=C(Nc1ccnn1C1CCCCC1)c1ccccc1[O-] ZINC000123295817 633642070 /nfs/dbraw/zinc/64/20/70/633642070.db2.gz YACUOIRMNZLTEY-UHFFFAOYSA-N -1 1 285.347 3.346 20 0 CGADMM Cc1cccc([C@H](C)C(=O)[N-]OCCCC(F)(F)F)c1 ZINC000871212896 633729506 /nfs/dbraw/zinc/72/95/06/633729506.db2.gz ICPHYSMJXREXBC-NSHDSACASA-N -1 1 289.297 3.489 20 0 CGADMM CCc1[n-]n(-c2ccc(OC(F)(F)F)cc2)c(=O)c1F ZINC000871941694 633921585 /nfs/dbraw/zinc/92/15/85/633921585.db2.gz FGDOBAFICUSOTO-JTQLQIEISA-N -1 1 290.216 3.036 20 0 CGADMM CCc1[n-]n(-c2cc(Cl)cc(Cl)c2)c(=O)c1F ZINC000871947691 633922345 /nfs/dbraw/zinc/92/23/45/633922345.db2.gz BPEAWNPHSHDRFE-JTQLQIEISA-N -1 1 275.110 3.444 20 0 CGADMM CCc1nsc(NCc2ccc([O-])c(Cl)c2)n1 ZINC000872726826 634197252 /nfs/dbraw/zinc/19/72/52/634197252.db2.gz WGBFVZGAPOYWMM-UHFFFAOYSA-N -1 1 269.757 3.072 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000872979814 634226516 /nfs/dbraw/zinc/22/65/16/634226516.db2.gz MITKKRDOLHKWEY-KOLCDFICSA-N -1 1 282.771 3.033 20 0 CGADMM C[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834823664 634248134 /nfs/dbraw/zinc/24/81/34/634248134.db2.gz ZOCXILKHVVRPEF-MEBBXXQBSA-N -1 1 281.783 3.488 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000834821778 634248427 /nfs/dbraw/zinc/24/84/27/634248427.db2.gz GLTHWVHNGWVOIP-IJLUTSLNSA-N -1 1 279.767 3.098 20 0 CGADMM CS[C@H](C)CCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825319 634248700 /nfs/dbraw/zinc/24/87/00/634248700.db2.gz JSOVSHWWNZJIBA-SECBINFHSA-N -1 1 287.812 3.194 20 0 CGADMM CCC[C@H](CC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833807 634253334 /nfs/dbraw/zinc/25/33/34/634253334.db2.gz MFPRHOFWGAWMMS-NSHDSACASA-N -1 1 269.772 3.488 20 0 CGADMM C[C@H]1CC[C@@](C)(C(=O)[N-]O[C@@H]2CCCCO2)C1(C)C ZINC000837381769 634899326 /nfs/dbraw/zinc/89/93/26/634899326.db2.gz OLEGFXHHBITVCM-ZOWXZIJZSA-N -1 1 269.385 3.023 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](CF)C1 ZINC000881591688 636155121 /nfs/dbraw/zinc/15/51/21/636155121.db2.gz SZRLPGINTSVAPN-LBPRGKRZSA-N -1 1 287.334 3.367 20 0 CGADMM CC(C)C[C@H](C(=O)[O-])N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000846233643 636164395 /nfs/dbraw/zinc/16/43/95/636164395.db2.gz SKZRVYUWKYQMQK-FPMFFAJLSA-N -1 1 279.380 3.334 20 0 CGADMM O=C([O-])Cc1ccccc1CN1CCc2c(F)cccc2C1 ZINC000846245757 636166595 /nfs/dbraw/zinc/16/65/95/636166595.db2.gz JBVUVYAOXBIUBC-UHFFFAOYSA-N -1 1 299.345 3.011 20 0 CGADMM CCc1sc(C(=O)[O-])cc1-c1cc(C(F)(F)F)n[nH]1 ZINC000849476026 636827352 /nfs/dbraw/zinc/82/73/52/636827352.db2.gz RDIBTVLWYYZIAR-UHFFFAOYSA-N -1 1 290.266 3.418 20 0 CGADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)C1CCCCC1 ZINC000883954993 636887684 /nfs/dbraw/zinc/88/76/84/636887684.db2.gz ALBUDHQKFWOTDN-UHFFFAOYSA-N -1 1 291.395 3.019 20 0 CGADMM Cc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1C ZINC000883955167 636887774 /nfs/dbraw/zinc/88/77/74/636887774.db2.gz QKEVXDKXKQHRFL-UHFFFAOYSA-N -1 1 299.374 3.483 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CC1(Cl)Cl ZINC000885675040 637283889 /nfs/dbraw/zinc/28/38/89/637283889.db2.gz ZXYFHBJPIZPMOH-SCSAIBSYSA-N -1 1 298.528 3.317 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@H]1C1CCCC1 ZINC000889412161 638025748 /nfs/dbraw/zinc/02/57/48/638025748.db2.gz NDOCMCPCXMCHHI-HNNXBMFYSA-N -1 1 296.370 3.345 20 0 CGADMM Cc1ccc2oc(C[N-]C(=O)C(F)(F)C(F)F)cc2c1 ZINC000855768806 638244491 /nfs/dbraw/zinc/24/44/91/638244491.db2.gz VRZGAEYVLPZYFZ-UHFFFAOYSA-N -1 1 289.228 3.258 20 0 CGADMM CC(C)[N@@H+]1CCC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000924007234 638288622 /nfs/dbraw/zinc/28/86/22/638288622.db2.gz ZZBCYEZBHWVERM-CYBMUJFWSA-N -1 1 291.326 3.127 20 0 CGADMM CCCC[C@@H](CC)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858340020 638686349 /nfs/dbraw/zinc/68/63/49/638686349.db2.gz ROLAURFFCNPQHM-SECBINFHSA-N -1 1 257.765 3.464 20 0 CGADMM CC(C)[C@H]1CCC[C@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858391269 638702772 /nfs/dbraw/zinc/70/27/72/638702772.db2.gz BATDMXGLYFWLST-UWVGGRQHSA-N -1 1 269.776 3.462 20 0 CGADMM C[C@@H]1CC[C@H](Nc2cc(Cl)[n-]c(=O)n2)[C@@H](C)C1 ZINC000858410509 638707338 /nfs/dbraw/zinc/70/73/38/638707338.db2.gz TTXUBEGHQLMZHU-VGMNWLOBSA-N -1 1 255.749 3.072 20 0 CGADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858415841 638709018 /nfs/dbraw/zinc/70/90/18/638709018.db2.gz ALLVIVGNXJXRGM-SKDRFNHKSA-N -1 1 299.802 3.089 20 0 CGADMM C[C@@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCCCC1 ZINC000858422268 638712756 /nfs/dbraw/zinc/71/27/56/638712756.db2.gz RWDMKICDQADANO-MRVPVSSYSA-N -1 1 255.749 3.216 20 0 CGADMM Cc1noc(C(C)C)c1[N-]C(=O)c1cnc(C2CC2)o1 ZINC000928783530 638891726 /nfs/dbraw/zinc/89/17/26/638891726.db2.gz WFNQUCXEJALPDE-UHFFFAOYSA-N -1 1 275.308 3.224 20 0 CGADMM CN(c1cc(Cl)[n-]c(=O)n1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000858572723 638995572 /nfs/dbraw/zinc/99/55/72/638995572.db2.gz RWXXIDAMPDDNKC-UWVGGRQHSA-N -1 1 283.803 3.487 20 0 CGADMM O=c1nc(NC[C@H]2CC3CCC2CC3)cc(Cl)[n-]1 ZINC000858596879 639000264 /nfs/dbraw/zinc/00/02/64/639000264.db2.gz PUPQMFZLRBKYLW-UDNWOFFPSA-N -1 1 267.760 3.074 20 0 CGADMM CSc1ccc(/C=C/C(=O)[N-]O[C@H]2CCCCO2)s1 ZINC000858988217 639055649 /nfs/dbraw/zinc/05/56/49/639055649.db2.gz ZANBBLXZYVNZSZ-PZBABLGHSA-N -1 1 299.417 3.058 20 0 CGADMM CSCc1cccc(CNCc2cc(C(=O)[O-])co2)c1 ZINC000859797714 639218494 /nfs/dbraw/zinc/21/84/94/639218494.db2.gz MGRJGOOHSKUAKP-UHFFFAOYSA-N -1 1 291.372 3.131 20 0 CGADMM [O-]c1ccc(Cl)c(F)c1CNc1nnc(C2CC2)o1 ZINC000191513552 640315352 /nfs/dbraw/zinc/31/53/52/640315352.db2.gz PPNGXSDMPREDDT-UHFFFAOYSA-N -1 1 283.690 3.057 20 0 CGADMM Cc1noc([N-]C(=O)c2cc3cccc(Cl)c3o2)n1 ZINC000084584288 640609210 /nfs/dbraw/zinc/60/92/10/640609210.db2.gz BTBXLSMXZOQPEX-UHFFFAOYSA-N -1 1 277.667 3.030 20 0 CGADMM Cc1cccc(-c2nccc(C(F)(F)F)n2)c1[O-] ZINC001250466899 805635434 /nfs/dbraw/zinc/63/54/34/805635434.db2.gz SXMIZVGTDPVHMB-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM CCC[C@@H](C)CC(=O)NCCc1c(F)cc([O-])cc1F ZINC001156714378 805728010 /nfs/dbraw/zinc/72/80/10/805728010.db2.gz HAQWOJPDVJRTEY-SNVBAGLBSA-N -1 1 285.334 3.155 20 0 CGADMM O=C([O-])c1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)o1 ZINC001250922997 805799105 /nfs/dbraw/zinc/79/91/05/805799105.db2.gz RKJYBARMUNNQML-UHFFFAOYSA-N -1 1 280.642 3.314 20 0 CGADMM Cc1c2[nH]c(-c3sccc3C(=O)[O-])nc2ccc1F ZINC001251011391 805826728 /nfs/dbraw/zinc/82/67/28/805826728.db2.gz MMHBYISSXQSUSO-UHFFFAOYSA-N -1 1 276.292 3.437 20 0 CGADMM [O-]c1ccc(F)c(-c2nc3c(ccc(F)c3F)[nH]2)c1F ZINC001251335602 805884558 /nfs/dbraw/zinc/88/45/58/805884558.db2.gz LOQQGJXWTKOPHP-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM COc1cccc2[nH]c(-c3c(F)ccc([O-])c3F)nc21 ZINC001251335567 805885627 /nfs/dbraw/zinc/88/56/27/805885627.db2.gz JVVNJCGRFNYNMB-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM COc1cc2[n-]c(C3OC=CC3=S)nc2cc1F ZINC001251546903 805907206 /nfs/dbraw/zinc/90/72/06/805907206.db2.gz SJVBNXSNCYOGPZ-UHFFFAOYSA-N -1 1 264.281 3.259 20 0 CGADMM COc1cc2nc(C3OC=CC3=S)[n-]c2cc1F ZINC001251546903 805907215 /nfs/dbraw/zinc/90/72/15/805907215.db2.gz SJVBNXSNCYOGPZ-UHFFFAOYSA-N -1 1 264.281 3.259 20 0 CGADMM O=S(=O)([N-]c1cccc2occc21)c1ccc(F)cc1 ZINC001251667954 805919244 /nfs/dbraw/zinc/91/92/44/805919244.db2.gz BDGKENQYBINJLS-UHFFFAOYSA-N -1 1 291.303 3.373 20 0 CGADMM Cc1cc(C)nc(-c2nc3c([n-]2)c(F)c(F)c(F)c3F)n1 ZINC001251807451 805938731 /nfs/dbraw/zinc/93/87/31/805938731.db2.gz OHRVRUIYWFSISH-UHFFFAOYSA-N -1 1 296.227 3.193 20 0 CGADMM [O-]c1cc(-c2nnc(Cc3ccc(F)cc3)o2)ccc1F ZINC001251930111 805953863 /nfs/dbraw/zinc/95/38/63/805953863.db2.gz JNSGLRNSNGLMMI-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM [O-]c1cc(F)cc(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC001252251794 806034074 /nfs/dbraw/zinc/03/40/74/806034074.db2.gz IDNDTKQIAUQQBV-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CN(C)c1ccc(-c2nnc(-c3ccc([O-])c(F)c3)o2)cc1 ZINC001252358049 806040759 /nfs/dbraw/zinc/04/07/59/806040759.db2.gz MAMMLPNIWLXQGU-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM CC(C)[C@@H](O)CNc1c(Cl)ccc([O-])c1Cl ZINC001253772048 806305160 /nfs/dbraw/zinc/30/51/60/806305160.db2.gz YXUADIVCXDVNQV-VIFPVBQESA-N -1 1 264.152 3.128 20 0 CGADMM [O-]c1cccnc1-c1nnc([C@H]2C[C@H]2c2ccccc2)o1 ZINC001254515245 806434606 /nfs/dbraw/zinc/43/46/06/806434606.db2.gz YQFZWNFLOAFHNZ-RYUDHWBXSA-N -1 1 279.299 3.108 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)[C@@H]1CCC[C@H](C)C1 ZINC001161934522 806485961 /nfs/dbraw/zinc/48/59/61/806485961.db2.gz XPMIKPZGHMPDAA-SDDRHHMPSA-N -1 1 279.355 3.476 20 0 CGADMM Cc1ccc(/C=C/C(=O)Nc2cc(F)cc(F)c2[O-])cn1 ZINC001162293118 806549506 /nfs/dbraw/zinc/54/95/06/806549506.db2.gz XISLTKLTGCAVDW-SNAWJCMRSA-N -1 1 290.269 3.026 20 0 CGADMM C[C@H]1CCC[C@H](CNC(=O)c2c([O-])cccc2F)C1 ZINC000235617527 799144590 /nfs/dbraw/zinc/14/45/90/799144590.db2.gz FZQWBFUOANWELX-QWRGUYRKSA-N -1 1 265.328 3.087 20 0 CGADMM CO[C@@H]1CC[C@@H](C)N(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000687196004 799737356 /nfs/dbraw/zinc/73/73/56/799737356.db2.gz FJNHDOSYTHTYJB-ZYHUDNBSSA-N -1 1 297.782 3.038 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(F)CC1 ZINC000689836209 799768736 /nfs/dbraw/zinc/76/87/36/799768736.db2.gz NGHHQFGGSTVCOX-UHFFFAOYSA-N -1 1 273.307 3.120 20 0 CGADMM Cc1cc(O)cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000705573435 799951615 /nfs/dbraw/zinc/95/16/15/799951615.db2.gz IQJJKETUDCZDHM-UHFFFAOYSA-N -1 1 297.763 3.155 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)[C@@]12C[C@@H]1CCCC2 ZINC000709116970 800003934 /nfs/dbraw/zinc/00/39/34/800003934.db2.gz XJHINFDVIAYJDT-XMZIXOGTSA-N -1 1 277.339 3.230 20 0 CGADMM C[C@H]1c2sccc2CCN1Cc1ccoc1C(=O)[O-] ZINC000712325505 800084634 /nfs/dbraw/zinc/08/46/34/800084634.db2.gz NBNQRXRAQNYNJI-VIFPVBQESA-N -1 1 277.345 3.159 20 0 CGADMM CC1(C)CO[C@H](CC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000717112173 800192818 /nfs/dbraw/zinc/19/28/18/800192818.db2.gz MYMVQZISBLCPQM-SNVBAGLBSA-N -1 1 283.755 3.189 20 0 CGADMM C[C@@H]1C[C@@H]1c1nnc(-c2ccc(Br)c([O-])c2)o1 ZINC001256745672 806968436 /nfs/dbraw/zinc/96/84/36/806968436.db2.gz AINUWEOSRFMVPJ-SVRRBLITSA-N -1 1 295.136 3.328 20 0 CGADMM [O-]c1cccnc1-c1nnc(CCC2CCCCC2)o1 ZINC001256788547 806977818 /nfs/dbraw/zinc/97/78/18/806977818.db2.gz QLHWBOQFPVSLNR-UHFFFAOYSA-N -1 1 273.336 3.350 20 0 CGADMM [O-]c1c(F)cc(-c2cccc(N3CCOCC3)c2)cc1F ZINC001244093249 803181744 /nfs/dbraw/zinc/18/17/44/803181744.db2.gz FAULRCRRRDUPIL-UHFFFAOYSA-N -1 1 291.297 3.174 20 0 CGADMM CCc1nc(OC)ccc1-c1cc(F)c([O-])c(F)c1 ZINC001244094772 803182077 /nfs/dbraw/zinc/18/20/77/803182077.db2.gz ADTKIXCJXJBZBV-UHFFFAOYSA-N -1 1 265.259 3.303 20 0 CGADMM COC(=O)c1cc(OC)cc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244096340 803183955 /nfs/dbraw/zinc/18/39/55/803183955.db2.gz HSMCFCKPSLOGAD-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM O=C1CC[C@H](c2ccc(-c3cc(F)c([O-])c(F)c3)cc2)N1 ZINC001244099038 803186896 /nfs/dbraw/zinc/18/68/96/803186896.db2.gz UPSJAGVMFPSSJW-CQSZACIVSA-N -1 1 289.281 3.289 20 0 CGADMM COc1cc(C(=O)[O-])cc(-c2cc3[nH]cnc3cc2C)c1 ZINC001244176291 803226153 /nfs/dbraw/zinc/22/61/53/803226153.db2.gz BMDGXAYQANQBFQ-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM Cc1cc(C2CC2)ccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001244278146 803274830 /nfs/dbraw/zinc/27/48/30/803274830.db2.gz ABDAQUVWEOKYBH-UHFFFAOYSA-N -1 1 291.350 3.352 20 0 CGADMM CCc1cc(-c2ccc3[n-]c(C(=O)OC)nc3c2)ccc1N ZINC001244295234 803283546 /nfs/dbraw/zinc/28/35/46/803283546.db2.gz JZVQCLMIAWBYJF-UHFFFAOYSA-N -1 1 295.342 3.161 20 0 CGADMM CCc1cc(-c2ccc3nc(C(=O)OC)[n-]c3c2)ccc1N ZINC001244295234 803283549 /nfs/dbraw/zinc/28/35/49/803283549.db2.gz JZVQCLMIAWBYJF-UHFFFAOYSA-N -1 1 295.342 3.161 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccc(C)cc3N)ccc2[n-]1 ZINC001244394573 803343108 /nfs/dbraw/zinc/34/31/08/803343108.db2.gz IKNUVGAMQVCKSK-UHFFFAOYSA-N -1 1 295.342 3.297 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccc(C)cc3N)cc2[n-]1 ZINC001244394573 803343113 /nfs/dbraw/zinc/34/31/13/803343113.db2.gz IKNUVGAMQVCKSK-UHFFFAOYSA-N -1 1 295.342 3.297 20 0 CGADMM COC(=O)c1ccc2nc(-c3cc(C)ccc3[O-])ncc2c1 ZINC001244401780 803350727 /nfs/dbraw/zinc/35/07/27/803350727.db2.gz IYULAMLGQWPGMN-UHFFFAOYSA-N -1 1 294.310 3.097 20 0 CGADMM Cc1ccc([O-])c(-c2nc(C)cc(C(F)(F)F)n2)c1 ZINC001244401811 803350783 /nfs/dbraw/zinc/35/07/83/803350783.db2.gz KQTHFKBIOPNQQZ-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM Cc1ccc([O-])c(-c2ncc3cc(F)ccc3n2)c1 ZINC001244402754 803351222 /nfs/dbraw/zinc/35/12/22/803351222.db2.gz JKBOZEDFOPEKAP-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM COc1cc(C)c(-c2cc(C)c([O-])c(Cl)c2)nn1 ZINC001244530929 803421420 /nfs/dbraw/zinc/42/14/20/803421420.db2.gz DNJOQOALHLMICW-UHFFFAOYSA-N -1 1 264.712 3.128 20 0 CGADMM Cc1ccc2c(ncnc2-c2c(Cl)ccc([O-])c2F)n1 ZINC001244537936 803425148 /nfs/dbraw/zinc/42/51/48/803425148.db2.gz GKSXZWQKLJOEPY-UHFFFAOYSA-N -1 1 289.697 3.498 20 0 CGADMM CCOC(=O)c1cccc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244538378 803425184 /nfs/dbraw/zinc/42/51/84/803425184.db2.gz KSTMPRSJLJUCHE-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccc3nccn3c2)c1F ZINC001244540614 803428394 /nfs/dbraw/zinc/42/83/94/803428394.db2.gz CVQIYLWEHKVOQW-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccccc2-c2nn[nH]n2)c1F ZINC001244539754 803428598 /nfs/dbraw/zinc/42/85/98/803428598.db2.gz GIWIMFUDQDCGTE-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM Cc1cc(-c2c(F)c([O-])ccc2Cl)cc(=O)o1 ZINC001244543727 803430512 /nfs/dbraw/zinc/43/05/12/803430512.db2.gz UFYIUPPOKOOIIX-UHFFFAOYSA-N -1 1 254.644 3.113 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cncc3nccnc32)c1F ZINC001244543810 803431108 /nfs/dbraw/zinc/43/11/08/803431108.db2.gz XTYLRHHULCGUGK-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM O=C1NCc2ccc(-c3c(Cl)ccc([O-])c3F)cc2N1 ZINC001244543245 803431125 /nfs/dbraw/zinc/43/11/25/803431125.db2.gz QDGKBQDYBFPRSB-UHFFFAOYSA-N -1 1 292.697 3.487 20 0 CGADMM CSc1nccc(-c2cc(Cl)ccc2[O-])n1 ZINC001245052422 803623657 /nfs/dbraw/zinc/62/36/57/803623657.db2.gz YPTKZBZWOYATOL-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM CCC(=O)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC001137606278 803743901 /nfs/dbraw/zinc/74/39/01/803743901.db2.gz UXEJEWWVKMOPDU-LBPRGKRZSA-N -1 1 295.766 3.019 20 0 CGADMM C[C@H]1CCN(C(=O)c2cccc([O-])c2F)CC12CCC2 ZINC001137842682 803782249 /nfs/dbraw/zinc/78/22/49/803782249.db2.gz ZCNCFRLWZZHQQS-NSHDSACASA-N -1 1 277.339 3.184 20 0 CGADMM [O-]c1cc(F)c(-c2nccc3c2CCN3)cc1Cl ZINC001245667501 803895883 /nfs/dbraw/zinc/89/58/83/803895883.db2.gz IHVSEADISJUTFU-UHFFFAOYSA-N -1 1 264.687 3.215 20 0 CGADMM COC(=O)c1ccnc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245828706 803983471 /nfs/dbraw/zinc/98/34/71/803983471.db2.gz UZUZRCCBYOKUQL-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM COc1ncc(F)cc1-c1c(F)ccc([O-])c1Cl ZINC001245830976 803984515 /nfs/dbraw/zinc/98/45/15/803984515.db2.gz BVLFFABEOAYZNY-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM CSc1cncc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245829617 803984935 /nfs/dbraw/zinc/98/49/35/803984935.db2.gz BSBYVUKCHXPKQA-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM Cc1ncc(-c2c(F)ccc([O-])c2Cl)c(C)n1 ZINC001245831827 803985996 /nfs/dbraw/zinc/98/59/96/803985996.db2.gz JWIXICIGZFQRDH-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM O=C1COc2ccc(-c3c(F)ccc([O-])c3Cl)cc2N1 ZINC001245831655 803986207 /nfs/dbraw/zinc/98/62/07/803986207.db2.gz CKLTYZQLADJYCX-UHFFFAOYSA-N -1 1 293.681 3.183 20 0 CGADMM Cc1c2nc[nH]c2ncc1-c1c(F)ccc([O-])c1Cl ZINC001245831259 803986865 /nfs/dbraw/zinc/98/68/65/803986865.db2.gz BUYACVBFFSXRJO-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM Cc1nc2c(cncc2-c2c(F)ccc([O-])c2Cl)[nH]1 ZINC001245831172 803987408 /nfs/dbraw/zinc/98/74/08/803987408.db2.gz GCGMKQHHCICKPC-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM CCCCCc1cc(=O)n(-c2ccc(OC)c(F)c2)[n-]1 ZINC001245942083 804074222 /nfs/dbraw/zinc/07/42/22/804074222.db2.gz GLOPEAYVXVZYKO-UHFFFAOYSA-N -1 1 278.327 3.458 20 0 CGADMM CCN(CC)c1ccc(-c2cc(=O)n(C3CC3)[n-]2)cc1 ZINC001245942871 804076219 /nfs/dbraw/zinc/07/62/19/804076219.db2.gz DXBIKHYZVRBNEW-UHFFFAOYSA-N -1 1 271.364 3.437 20 0 CGADMM CC(C)Oc1ccc(-n2[n-]c(CC3CC3)cc2=O)cc1 ZINC001245954112 804089585 /nfs/dbraw/zinc/08/95/85/804089585.db2.gz XRRORCRSIXQANI-UHFFFAOYSA-N -1 1 272.348 3.318 20 0 CGADMM Cc1[nH]c(CN2CCC[C@H]2c2cccnc2)c(C)c1C(=O)[O-] ZINC001140493762 804446647 /nfs/dbraw/zinc/44/66/47/804446647.db2.gz JQFVLJSLRMLAAR-HNNXBMFYSA-N -1 1 299.374 3.062 20 0 CGADMM Nc1ncccc1Nc1c(Cl)ccc([O-])c1Cl ZINC001212402215 815019098 /nfs/dbraw/zinc/01/90/98/815019098.db2.gz VYUPJKBGNOBHKI-UHFFFAOYSA-N -1 1 270.119 3.420 20 0 CGADMM [O-]c1ccc(CN2CCc3sccc3C2)c(F)c1F ZINC001140887725 804540048 /nfs/dbraw/zinc/54/00/48/804540048.db2.gz FNKHNXSATFABFO-UHFFFAOYSA-N -1 1 281.327 3.290 20 0 CGADMM C[C@@H]1CN(Cc2ccc([O-])c(F)c2F)CCC1(F)F ZINC001140889855 804543355 /nfs/dbraw/zinc/54/33/55/804543355.db2.gz NECOASYSQJHUMK-MRVPVSSYSA-N -1 1 277.261 3.148 20 0 CGADMM [O-]c1ccc(CN2CCc3ccccc3C2)c(F)c1F ZINC001140890190 804543489 /nfs/dbraw/zinc/54/34/89/804543489.db2.gz YJYFCJKGINVNCU-UHFFFAOYSA-N -1 1 275.298 3.229 20 0 CGADMM [O-]c1ccc(CN2CCc3c(F)cccc3C2)c(F)c1F ZINC001140893535 804545399 /nfs/dbraw/zinc/54/53/99/804545399.db2.gz REHLSYZDOZVCFR-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[N-]Oc2ccc(F)cc2)C[C@H]1C ZINC001165799852 807020463 /nfs/dbraw/zinc/02/04/63/807020463.db2.gz CIOKOTOIKYXNQN-IJLUTSLNSA-N -1 1 265.328 3.308 20 0 CGADMM [O-]c1c(F)cc(CN2Cc3ccc(F)cc3C2)cc1F ZINC001140991198 804563376 /nfs/dbraw/zinc/56/33/76/804563376.db2.gz HIPJRPXKVJKTMZ-UHFFFAOYSA-N -1 1 279.261 3.325 20 0 CGADMM CCCCC[C@H](C)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001141462931 804644288 /nfs/dbraw/zinc/64/42/88/804644288.db2.gz ZMIVWOZYXAXFHR-LBPRGKRZSA-N -1 1 277.364 3.212 20 0 CGADMM C[C@@H](c1ccco1)N(C(=O)c1cccc([O-])c1F)C1CC1 ZINC001142289484 804713665 /nfs/dbraw/zinc/71/36/65/804713665.db2.gz FAVKVLUMRYSFIF-JTQLQIEISA-N -1 1 289.306 3.490 20 0 CGADMM Cc1coc(C)c1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142541954 804735049 /nfs/dbraw/zinc/73/50/49/804735049.db2.gz JJARTDDBIUGDIT-UHFFFAOYSA-N -1 1 267.231 3.133 20 0 CGADMM CSc1cc(C(=O)Nc2cc(F)cc(F)c2[O-])ccn1 ZINC001142542576 804736497 /nfs/dbraw/zinc/73/64/97/804736497.db2.gz RXJDPOPESJQHOS-UHFFFAOYSA-N -1 1 296.298 3.040 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cnn(CC(F)(F)F)c1 ZINC001248659189 804965028 /nfs/dbraw/zinc/96/50/28/804965028.db2.gz JICIRTVJAJYSIR-UHFFFAOYSA-N -1 1 293.195 3.173 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H]2c2cccnc2)cc1F ZINC001144646714 805021468 /nfs/dbraw/zinc/02/14/68/805021468.db2.gz IGCBCXFLCCCOGG-HNNXBMFYSA-N -1 1 290.313 3.403 20 0 CGADMM O=C([N-]c1nnco1)c1sc2cc(F)ccc2c1Cl ZINC001147979881 805159226 /nfs/dbraw/zinc/15/92/26/805159226.db2.gz JJLXUNTWORUDIS-UHFFFAOYSA-N -1 1 297.698 3.329 20 0 CGADMM Cn1ccc(NC(=O)c2cccc(-c3ccccc3)c2[O-])n1 ZINC001148861105 805213212 /nfs/dbraw/zinc/21/32/12/805213212.db2.gz LIGPRRVAOAPNKH-UHFFFAOYSA-N -1 1 293.326 3.045 20 0 CGADMM Nc1ncc(Nc2cc([O-])c(Cl)cc2F)cc1F ZINC001249762611 805237368 /nfs/dbraw/zinc/23/73/68/805237368.db2.gz OEVVVAJYPAHCRJ-UHFFFAOYSA-N -1 1 271.654 3.045 20 0 CGADMM CN(C(=O)c1cc2cccc(O)c2cc1[O-])C(C)(C)C ZINC001149647606 805240953 /nfs/dbraw/zinc/24/09/53/805240953.db2.gz ZLKYFBAUXURUQI-UHFFFAOYSA-N -1 1 273.332 3.122 20 0 CGADMM C[C@H]1C[C@H](C)CN(Cc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001249775663 805241704 /nfs/dbraw/zinc/24/17/04/805241704.db2.gz DLIGTPJHYNTRHM-UWVGGRQHSA-N -1 1 283.318 3.141 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CC(C)(C)c3ccccc32)c([O-])c1 ZINC001150038278 805252070 /nfs/dbraw/zinc/25/20/70/805252070.db2.gz PZCMAOUARRDFQG-CQSZACIVSA-N -1 1 296.370 3.248 20 0 CGADMM Cc1sccc1NC(=O)c1cc(F)ccc1[O-] ZINC001151426423 805289416 /nfs/dbraw/zinc/28/94/16/805289416.db2.gz YKTIWFQGOGOBMW-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM C[C@@H](C(=O)Nc1cccc(F)c1[O-])n1cnc2ccccc21 ZINC001151779400 805311917 /nfs/dbraw/zinc/31/19/17/805311917.db2.gz AZGDTQDHUGCECP-JTQLQIEISA-N -1 1 299.305 3.081 20 0 CGADMM [O-]c1c(F)cc(F)c(CCOc2ccccc2)c1F ZINC001249934104 805313530 /nfs/dbraw/zinc/31/35/30/805313530.db2.gz HQNKFPGFXGQHMF-UHFFFAOYSA-N -1 1 268.234 3.431 20 0 CGADMM [O-]c1cc(Nc2cc(O)ccc2F)c(F)c(F)c1F ZINC001249964050 805330479 /nfs/dbraw/zinc/33/04/79/805330479.db2.gz XLKBVYVHHKWJLP-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM C[C@@H]1CCC[C@@H](C2CN(C(=O)c3cc(F)ccc3[O-])C2)C1 ZINC001152403184 805347346 /nfs/dbraw/zinc/34/73/46/805347346.db2.gz TWCSDACFVKELSS-VXGBXAGGSA-N -1 1 291.366 3.430 20 0 CGADMM Cn1ncc2cc(Nc3cc(Cl)c([O-])cc3F)cnc21 ZINC001250019805 805369545 /nfs/dbraw/zinc/36/95/45/805369545.db2.gz GPJGLURIYAFADF-UHFFFAOYSA-N -1 1 292.701 3.210 20 0 CGADMM [O-]c1cc(F)c(Nc2ncccc2O)cc1Cl ZINC001250020633 805371061 /nfs/dbraw/zinc/37/10/61/805371061.db2.gz OEZVHBBKPKIKJA-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM Cc1c2ccc(N)cc2nn1-c1cc(Cl)c([O-])cc1F ZINC001250024123 805375586 /nfs/dbraw/zinc/37/55/86/805375586.db2.gz SJMTYWIALAQGIU-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM NC(=O)c1cc(Nc2cc(Cl)c([O-])cc2F)ccc1F ZINC001250027429 805377689 /nfs/dbraw/zinc/37/76/89/805377689.db2.gz YNTCSUHIOPTTOO-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM O=C(Nc1ccc(O)cc1O)c1ccc2ccccc2c1[O-] ZINC001153755937 805413539 /nfs/dbraw/zinc/41/35/39/805413539.db2.gz AUFYGYUQAIFSKA-UHFFFAOYSA-N -1 1 295.294 3.209 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC001154728366 805481050 /nfs/dbraw/zinc/48/10/50/805481050.db2.gz SWHXZEUAGRRFPU-GUYCJALGSA-N -1 1 296.370 3.319 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC001154728364 805481114 /nfs/dbraw/zinc/48/11/14/805481114.db2.gz SWHXZEUAGRRFPU-CXAGYDPISA-N -1 1 296.370 3.319 20 0 CGADMM [O-]c1cc(F)c(Cc2cc(F)cc3c2OCOC3)c(F)c1 ZINC001250202463 805486734 /nfs/dbraw/zinc/48/67/34/805486734.db2.gz TUHYRGNTBFXELG-UHFFFAOYSA-N -1 1 296.244 3.267 20 0 CGADMM CC(=O)Nc1ccc(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250228143 805504371 /nfs/dbraw/zinc/50/43/71/805504371.db2.gz NELCUPGLEXBBAV-UHFFFAOYSA-N -1 1 295.701 3.282 20 0 CGADMM O=c1cc(Nc2c(F)ccc([O-])c2Cl)nc(C2CC2)[nH]1 ZINC001250229021 805504558 /nfs/dbraw/zinc/50/45/58/805504558.db2.gz RVRSIPTZXNKQQT-UHFFFAOYSA-N -1 1 295.701 3.301 20 0 CGADMM Nc1cn(-c2c(F)ccc([O-])c2Cl)c2ncccc12 ZINC001250228826 805505495 /nfs/dbraw/zinc/50/54/95/805505495.db2.gz MHKBFNXRSLMJCI-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM Cc1cccc(C(N)=O)c1Nc1c(F)ccc([O-])c1Cl ZINC001250232277 805506959 /nfs/dbraw/zinc/50/69/59/805506959.db2.gz HSNDHUKJIQVHBU-UHFFFAOYSA-N -1 1 294.713 3.336 20 0 CGADMM [O-]c1ccc(F)c(Nc2ccc(CCO)cc2)c1Cl ZINC001250233538 805508415 /nfs/dbraw/zinc/50/84/15/805508415.db2.gz QWJVSDSWYMGNPQ-UHFFFAOYSA-N -1 1 281.714 3.463 20 0 CGADMM N=c1ccc2c(N)cccc2n1-c1ccc(Cl)c([O-])c1 ZINC001212595109 815081148 /nfs/dbraw/zinc/08/11/48/815081148.db2.gz HWSQFWXRWUQYGP-UHFFFAOYSA-N -1 1 285.734 3.051 20 0 CGADMM CC(C)Oc1c(F)cc([N-]c2nnco2)cc1Cl ZINC001250278529 805538499 /nfs/dbraw/zinc/53/84/99/805538499.db2.gz GOPPWHGGZCKPCA-UHFFFAOYSA-N -1 1 271.679 3.393 20 0 CGADMM Fc1ccccc1-c1noc(-c2ncc(C(F)(F)F)[n-]2)n1 ZINC001212688614 815104535 /nfs/dbraw/zinc/10/45/35/815104535.db2.gz LJJHKNDKMGGPJI-UHFFFAOYSA-N -1 1 298.199 3.285 20 0 CGADMM Fc1ccccc1-c1noc(-c2nc(C(F)(F)F)c[n-]2)n1 ZINC001212688614 815104537 /nfs/dbraw/zinc/10/45/37/815104537.db2.gz LJJHKNDKMGGPJI-UHFFFAOYSA-N -1 1 298.199 3.285 20 0 CGADMM Cc1ccc(-c2noc(-c3ccncc3[O-])n2)c(Cl)c1 ZINC001212721671 815114845 /nfs/dbraw/zinc/11/48/45/815114845.db2.gz ZKRZMXHBIBTJGE-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CC(C)(C)[C@H](CO)Nc1cc([S-])cc(S)c1 ZINC001168562470 807447252 /nfs/dbraw/zinc/44/72/52/807447252.db2.gz PCOLNHJAYNLSDX-NSHDSACASA-N -1 1 257.424 3.083 20 0 CGADMM C=Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC001259090964 807673584 /nfs/dbraw/zinc/67/35/84/807673584.db2.gz IDPLEPNUCGKBMF-UHFFFAOYSA-N -1 1 295.310 3.409 20 0 CGADMM O=S(=O)([N-]c1cccc(Cl)c1C(F)(F)F)C1CC1 ZINC001259276527 807677318 /nfs/dbraw/zinc/67/73/18/807677318.db2.gz PZMNPYPAYCYYFD-UHFFFAOYSA-N -1 1 299.701 3.263 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1c(O)ccc2ccccc21 ZINC001260741050 807703127 /nfs/dbraw/zinc/70/31/27/807703127.db2.gz XQVBADUKFSOPPW-SNVBAGLBSA-N -1 1 279.361 3.086 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c1C ZINC001260990459 807708984 /nfs/dbraw/zinc/70/89/84/807708984.db2.gz BCMNHKBVDSPHKP-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c1C ZINC001260998870 807709648 /nfs/dbraw/zinc/70/96/48/807709648.db2.gz XPWGRFVTDZUMHC-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM COc1ccc(NC(=O)c2cncc([O-])c2)c2ccccc12 ZINC001170182104 807787456 /nfs/dbraw/zinc/78/74/56/807787456.db2.gz MUKVUOJEONWYEM-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM COCOc1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001212895216 815178843 /nfs/dbraw/zinc/17/88/43/815178843.db2.gz MCNOATYTDZRVOU-UHFFFAOYSA-N -1 1 287.275 3.056 20 0 CGADMM COCOc1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001212901783 815181386 /nfs/dbraw/zinc/18/13/86/815181386.db2.gz BQKMLCMDGZEANZ-UHFFFAOYSA-N -1 1 281.258 3.397 20 0 CGADMM CN1CCOc2cc(Nc3ccc(F)c(F)c3[O-])ccc21 ZINC001213045456 815211887 /nfs/dbraw/zinc/21/18/87/815211887.db2.gz JBQUZRYLXXSEFL-UHFFFAOYSA-N -1 1 292.285 3.243 20 0 CGADMM COC(=O)Cc1ccccc1Nc1c([O-])cc(F)cc1F ZINC001213059479 815214866 /nfs/dbraw/zinc/21/48/66/815214866.db2.gz WNQPWLPJSDKNMA-UHFFFAOYSA-N -1 1 293.269 3.130 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1c(F)cccc1F ZINC001173859569 808718539 /nfs/dbraw/zinc/71/85/39/808718539.db2.gz SWQZKXVJFSDMLP-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM [O-]c1cc(Nc2ccc3c(c2)OCCO3)cc(F)c1F ZINC001173878972 808734338 /nfs/dbraw/zinc/73/43/38/808734338.db2.gz POTOGOUZPDZLRR-UHFFFAOYSA-N -1 1 279.242 3.185 20 0 CGADMM COc1ccc(F)cc1[N-]c1noc(C(C)(C)C)n1 ZINC001173953901 808782427 /nfs/dbraw/zinc/78/24/27/808782427.db2.gz ZMQYTKAZFDAPLP-UHFFFAOYSA-N -1 1 265.288 3.258 20 0 CGADMM COc1cccc(Nc2ccnc(Cl)c2[O-])c1F ZINC001173972525 808798309 /nfs/dbraw/zinc/79/83/09/808798309.db2.gz UDQQZBWXIBHNPI-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM CC(=O)Nc1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001173977195 808800499 /nfs/dbraw/zinc/80/04/99/808800499.db2.gz JBRCKCOPABNPDX-UHFFFAOYSA-N -1 1 277.711 3.143 20 0 CGADMM CC(=O)Nc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001173977603 808801033 /nfs/dbraw/zinc/80/10/33/808801033.db2.gz MUKMSTJDAPCDIE-UHFFFAOYSA-N -1 1 278.258 3.372 20 0 CGADMM [O-]c1cc(Nc2ccc3c(c2)CCO3)cc(F)c1F ZINC001174011358 808820704 /nfs/dbraw/zinc/82/07/04/808820704.db2.gz DCPMYYDJJXMMRA-UHFFFAOYSA-N -1 1 263.243 3.349 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3c(c2)CCO3)cc1F ZINC001174012751 808821946 /nfs/dbraw/zinc/82/19/46/808821946.db2.gz XXGLRZKJAOAIAT-UHFFFAOYSA-N -1 1 263.243 3.349 20 0 CGADMM COc1cccc(Nc2ccnc(Cl)c2[O-])c1OC ZINC001174016085 808824517 /nfs/dbraw/zinc/82/45/17/808824517.db2.gz NWWPCOAZQGJELZ-UHFFFAOYSA-N -1 1 280.711 3.201 20 0 CGADMM c1ccc2c(c1)cncc2[N-]c1nonc1C1CC1 ZINC001174101007 808865698 /nfs/dbraw/zinc/86/56/98/808865698.db2.gz SVBZBIAYROIJKF-UHFFFAOYSA-N -1 1 252.277 3.239 20 0 CGADMM CC(=O)NCc1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001174230952 808914986 /nfs/dbraw/zinc/91/49/86/808914986.db2.gz FDVYAXJUNIYELD-UHFFFAOYSA-N -1 1 292.285 3.050 20 0 CGADMM [O-]c1c(Cl)cc(Br)cc1Nc1cn[nH]c1 ZINC001174300179 808941711 /nfs/dbraw/zinc/94/17/11/808941711.db2.gz QZWJUSLTTOVQBS-UHFFFAOYSA-N -1 1 288.532 3.275 20 0 CGADMM [O-]c1ccc(Cl)c(Nc2cncnc2)c1Cl ZINC001174385812 808987578 /nfs/dbraw/zinc/98/75/78/808987578.db2.gz CZYNXMLDVYTBHZ-UHFFFAOYSA-N -1 1 256.092 3.233 20 0 CGADMM [O-]c1cc(Nc2cnn([C@H]3CCCCO3)c2)cc(F)c1F ZINC001174611258 809102362 /nfs/dbraw/zinc/10/23/62/809102362.db2.gz MZULJEGDSBQXHB-CYBMUJFWSA-N -1 1 295.289 3.310 20 0 CGADMM CC(C)c1nnc([N-]c2cc(F)c(F)c(F)c2)o1 ZINC001174954612 809214617 /nfs/dbraw/zinc/21/46/17/809214617.db2.gz JZBVTCUJOFIZOA-UHFFFAOYSA-N -1 1 257.215 3.354 20 0 CGADMM CCOc1cc(F)cc([N-]c2nnc(C(C)C)o2)c1 ZINC001175001779 809234318 /nfs/dbraw/zinc/23/43/18/809234318.db2.gz PPJHQOVEMQNWMF-UHFFFAOYSA-N -1 1 265.288 3.474 20 0 CGADMM Cc1cc(F)ccc1NC(=O)c1cccc([O-])c1F ZINC001290187023 809404423 /nfs/dbraw/zinc/40/44/23/809404423.db2.gz HQPRQBDAMGJHPC-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM Cc1ccc([C@H](NC(=O)c2ncc(C)cc2[O-])C2CC2)cc1 ZINC001290484678 809409068 /nfs/dbraw/zinc/40/90/68/809409068.db2.gz SAUHOZUOAKDDKJ-INIZCTEOSA-N -1 1 296.370 3.285 20 0 CGADMM C[C@@H]1c2ccsc2CCN1C(=O)c1cccc([O-])c1F ZINC001290646746 809411736 /nfs/dbraw/zinc/41/17/36/809411736.db2.gz MUBUNCTYXCUGAP-SECBINFHSA-N -1 1 291.347 3.352 20 0 CGADMM O=C(Nc1cc(F)c(F)cc1F)c1cccc([O-])c1F ZINC001293183029 809444896 /nfs/dbraw/zinc/44/48/96/809444896.db2.gz LKINYFWOVASTGH-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM Cn1cc2cc(Nc3cc(F)c([O-])cc3F)ccc2n1 ZINC001175623006 809478295 /nfs/dbraw/zinc/47/82/95/809478295.db2.gz FTEROJFENNWDQE-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM C[C@H](NC(=O)c1cccc([O-])c1F)c1cccc(F)c1F ZINC001295254943 809485060 /nfs/dbraw/zinc/48/50/60/809485060.db2.gz PYSUHWLAOVQQRD-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM CCc1cc(C(=O)Nc2ccc([O-])c(F)c2F)ccc1O ZINC001297821988 809523833 /nfs/dbraw/zinc/52/38/33/809523833.db2.gz XGSYAYRNOKAUJT-UHFFFAOYSA-N -1 1 293.269 3.191 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cnn(C2CCC2)c1 ZINC001175757044 809533516 /nfs/dbraw/zinc/53/35/16/809533516.db2.gz IDCALEIZAQIUGW-UHFFFAOYSA-N -1 1 265.263 3.336 20 0 CGADMM CSc1nc(Nc2cscc2C)cc(=O)[n-]1 ZINC001175765862 809537196 /nfs/dbraw/zinc/53/71/96/809537196.db2.gz RSRKUMRTVRGMRU-UHFFFAOYSA-N -1 1 253.352 3.018 20 0 CGADMM Cc1nc(CCC(=O)Nc2cc(F)cc(F)c2[O-])cs1 ZINC001299581459 809551819 /nfs/dbraw/zinc/55/18/19/809551819.db2.gz RFOQLCMXHXLWMQ-UHFFFAOYSA-N -1 1 298.314 3.007 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCC[C@@H](C2CCCCC2)C1 ZINC001301405317 809584382 /nfs/dbraw/zinc/58/43/82/809584382.db2.gz GBJQUAAWUPEFNM-CQSZACIVSA-N -1 1 288.391 3.220 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccccc1OC1CC1 ZINC001302487144 809595635 /nfs/dbraw/zinc/59/56/35/809595635.db2.gz VTVRFBUGQFGEDA-UHFFFAOYSA-N -1 1 287.290 3.325 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccc2cnccc2c1 ZINC001302487789 809595902 /nfs/dbraw/zinc/59/59/02/809595902.db2.gz YWBSDPBGWOKPBQ-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM COc1cccc2[nH]c(Nc3ncc(F)cc3[O-])cc21 ZINC001176060985 809612431 /nfs/dbraw/zinc/61/24/31/809612431.db2.gz DLVMSZVZDIAJNX-UHFFFAOYSA-N -1 1 273.267 3.160 20 0 CGADMM Cc1ncc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001176396052 809686547 /nfs/dbraw/zinc/68/65/47/809686547.db2.gz LVRGFPFVVFBYRX-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM Cc1cccnc1Nc1c(F)cc(F)c([O-])c1F ZINC001176662371 809737447 /nfs/dbraw/zinc/73/74/47/809737447.db2.gz MQURQMLEXDIHME-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc(CO)cc2)c1F ZINC001176672061 809739870 /nfs/dbraw/zinc/73/98/70/809739870.db2.gz SCHUAOJEKUZIRQ-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM Nc1cc2ccn(-c3c(F)cc(F)c([O-])c3F)c2cc1F ZINC001176672216 809740298 /nfs/dbraw/zinc/74/02/98/809740298.db2.gz JRAWHRSIYDBIDC-UHFFFAOYSA-N -1 1 296.223 3.475 20 0 CGADMM Nc1cccc2c1N(c1c(F)cc(F)c([O-])c1F)CC2 ZINC001176674277 809741184 /nfs/dbraw/zinc/74/11/84/809741184.db2.gz UBGJFQBWCBIHDK-UHFFFAOYSA-N -1 1 280.249 3.086 20 0 CGADMM COCOc1ccc(F)cc1Nc1ccnc(Cl)c1[O-] ZINC001176718472 809749222 /nfs/dbraw/zinc/74/92/22/809749222.db2.gz GXPVWFUTWCSFIK-UHFFFAOYSA-N -1 1 298.701 3.306 20 0 CGADMM CC(C)c1ccc(NC(=O)c2ccc(F)c([O-])c2)cn1 ZINC001178533991 809873816 /nfs/dbraw/zinc/87/38/16/809873816.db2.gz CKEONWLLSPVUJH-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM O=C(NCCc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC001184939401 810224100 /nfs/dbraw/zinc/22/41/00/810224100.db2.gz HHEYVESFXVOVQW-UHFFFAOYSA-N -1 1 290.750 3.410 20 0 CGADMM O=C(NCc1cccc(F)c1)Nc1cc(F)c([O-])cc1F ZINC001185825389 810294198 /nfs/dbraw/zinc/29/41/98/810294198.db2.gz ALLXZFYZJOOORT-UHFFFAOYSA-N -1 1 296.248 3.131 20 0 CGADMM O=C(Nc1ccc(C(F)F)cn1)c1ccc([O-])cc1F ZINC001186318025 810327976 /nfs/dbraw/zinc/32/79/76/810327976.db2.gz CDPJAWALAQYHPP-UHFFFAOYSA-N -1 1 282.221 3.116 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)CCC1(F)F ZINC001186318333 810328216 /nfs/dbraw/zinc/32/82/16/810328216.db2.gz ITXOFMCUTBFKDG-SECBINFHSA-N -1 1 287.281 3.039 20 0 CGADMM O=C(NCc1cccc2ncccc12)c1ccc([O-])cc1F ZINC001186337872 810329797 /nfs/dbraw/zinc/32/97/97/810329797.db2.gz XRDBAVWIKFJEEN-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@H]2CC(C)(C)CO2)n1 ZINC001188161387 810460492 /nfs/dbraw/zinc/46/04/92/810460492.db2.gz ACAAJFBLYSHIOM-LLVKDONJSA-N -1 1 282.409 3.042 20 0 CGADMM Cc1nc(SCOC2CCCCC2)[n-]c(=O)c1C ZINC001189061282 810540040 /nfs/dbraw/zinc/54/00/40/810540040.db2.gz MQNLFBZBMWFOGW-UHFFFAOYSA-N -1 1 268.382 3.198 20 0 CGADMM CC(C)c1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190847106 810652355 /nfs/dbraw/zinc/65/23/55/810652355.db2.gz UUGXAKGEHNUVSO-UHFFFAOYSA-N -1 1 276.361 3.006 20 0 CGADMM O=C(Nc1ccccn1)Nc1ccc(Cl)cc1[O-] ZINC001191335506 810703166 /nfs/dbraw/zinc/70/31/66/810703166.db2.gz PBZMUZDCNRVNQJ-UHFFFAOYSA-N -1 1 263.684 3.085 20 0 CGADMM O=C(Nc1cccc2cc[nH]c21)c1cc([O-])cc(F)c1F ZINC001192670941 810814577 /nfs/dbraw/zinc/81/45/77/810814577.db2.gz REYDEEWPFSPQEG-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc([O-])cc(F)c1F ZINC001192679578 810814940 /nfs/dbraw/zinc/81/49/40/810814940.db2.gz XDHDVKAHYFOXMA-RKDXNWHRSA-N -1 1 271.307 3.225 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1c(F)ccc(C)c1OC ZINC001214527616 815419727 /nfs/dbraw/zinc/41/97/27/815419727.db2.gz DUPJILBFWBTUNG-UHFFFAOYSA-N -1 1 294.282 3.051 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2c(C)cccc2C)cn1 ZINC001194610036 811096177 /nfs/dbraw/zinc/09/61/77/811096177.db2.gz WGBKGZMZBPWWFU-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM Cc1csc([N-]S(=O)(=O)CC[Si](C)(C)C)c1 ZINC001195041779 811190620 /nfs/dbraw/zinc/19/06/20/811190620.db2.gz LULPJDYHCHSGIW-UHFFFAOYSA-N -1 1 277.487 3.136 20 0 CGADMM CCNC(=S)Nc1c([O-])cc(C(F)(F)F)cc1Cl ZINC001195347175 811245763 /nfs/dbraw/zinc/24/57/63/811245763.db2.gz LKKZGIJJMCLWBI-UHFFFAOYSA-N -1 1 298.717 3.371 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cccc(C(C)(C)C)c1 ZINC001195486386 811259889 /nfs/dbraw/zinc/25/98/89/811259889.db2.gz ADAVNIIJCKBUEK-UHFFFAOYSA-N -1 1 280.393 3.427 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc2nc(C)sc2c1 ZINC001195482744 811260594 /nfs/dbraw/zinc/26/05/94/811260594.db2.gz OFAQZTBUKLXSIM-UHFFFAOYSA-N -1 1 295.389 3.048 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(OC(C)C)ccc1C ZINC001195490426 811261465 /nfs/dbraw/zinc/26/14/65/811261465.db2.gz HBKVGPWHYWGNTR-UHFFFAOYSA-N -1 1 296.392 3.225 20 0 CGADMM COc1ccc(C)c(F)c1Nc1ncc(F)cc1[O-] ZINC001214627593 815435127 /nfs/dbraw/zinc/43/51/27/815435127.db2.gz RKWRSDSQYUUQHM-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM O=C(Nc1ccccc1)Nc1cc(F)c([O-])cc1F ZINC001201956152 811984265 /nfs/dbraw/zinc/98/42/65/811984265.db2.gz GOGFGDFHBYUZER-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM O=C(Nc1ccc(F)cc1F)Nc1cc(Cl)ncc1[O-] ZINC001202014128 811997881 /nfs/dbraw/zinc/99/78/81/811997881.db2.gz IIZIZQJSRMFREO-UHFFFAOYSA-N -1 1 299.664 3.363 20 0 CGADMM O=C(Nc1cccc(F)c1)Nc1ccc(F)cc1[O-] ZINC001202229106 812045178 /nfs/dbraw/zinc/04/51/78/812045178.db2.gz JGJXBPHLCDMCLG-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM Cc1cccc(NC(=O)Nc2ccc(F)cc2[O-])c1 ZINC001202314102 812062616 /nfs/dbraw/zinc/06/26/16/812062616.db2.gz FQQHQKIZZSCQHA-UHFFFAOYSA-N -1 1 260.268 3.484 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)NC1CCCCC1 ZINC001202615657 812136172 /nfs/dbraw/zinc/13/61/72/812136172.db2.gz YVMPIQPMJQYFQN-UHFFFAOYSA-N -1 1 270.279 3.125 20 0 CGADMM Cc1cc(O)cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001215522172 815529180 /nfs/dbraw/zinc/52/91/80/815529180.db2.gz PABDCCDNYFKYAU-UHFFFAOYSA-N -1 1 281.315 3.336 20 0 CGADMM COc1ccc(Nc2cc(F)c([O-])cc2F)c(O)c1 ZINC001215573562 815538552 /nfs/dbraw/zinc/53/85/52/815538552.db2.gz MXTHGSZOHUJAJW-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM [O-]c1cc(F)c(Nc2cc(F)c(F)cc2O)cc1F ZINC001215573944 815538424 /nfs/dbraw/zinc/53/84/24/815538424.db2.gz KOMSFARTWFHROM-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM O=c1[nH]cnc2ccc(Nc3cc(F)c([O-])cc3F)cc12 ZINC001215572012 815537335 /nfs/dbraw/zinc/53/73/35/815537335.db2.gz RXGGVIKLLKKWKS-UHFFFAOYSA-N -1 1 289.241 3.063 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3c(c2)[C@H](O)CC3)cc1F ZINC001215576601 815540060 /nfs/dbraw/zinc/54/00/60/815540060.db2.gz DWGBUPDIODLCQD-CQSZACIVSA-N -1 1 277.270 3.394 20 0 CGADMM [O-]c1cc(Nc2ccn3ccnc3c2)cc(F)c1F ZINC001204982615 812808129 /nfs/dbraw/zinc/80/81/29/812808129.db2.gz AIWZLPYYEAMMLV-UHFFFAOYSA-N -1 1 261.231 3.062 20 0 CGADMM CCCOc1ccc2cc([N-]c3nonc3N)ccc2c1 ZINC001215679017 815557398 /nfs/dbraw/zinc/55/73/98/815557398.db2.gz AUUBOANBABOXPL-UHFFFAOYSA-N -1 1 284.319 3.337 20 0 CGADMM CCn1nccc1Nc1cc([O-])c(Cl)cc1F ZINC001205301665 812940495 /nfs/dbraw/zinc/94/04/95/812940495.db2.gz OFABSNFIETUSON-UHFFFAOYSA-N -1 1 255.680 3.145 20 0 CGADMM Cn1ccc2cc(Nc3c([O-])cc(F)cc3F)cnc21 ZINC001205723416 813059711 /nfs/dbraw/zinc/05/97/11/813059711.db2.gz GIRQNMNKNDZXJT-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM CCc1cncc(Nc2c([O-])cc(F)cc2F)c1 ZINC001209191535 813961970 /nfs/dbraw/zinc/96/19/70/813961970.db2.gz PRDOCUQOPNTRDP-UHFFFAOYSA-N -1 1 250.248 3.371 20 0 CGADMM Cc1cccc(Nc2cc(F)c([O-])c(F)c2)c1O ZINC001210190879 814328695 /nfs/dbraw/zinc/32/86/95/814328695.db2.gz QBYONEFFCLCETF-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM COc1c(F)cccc1[N-]c1noc(C(C)(C)C)n1 ZINC001210399608 814445960 /nfs/dbraw/zinc/44/59/60/814445960.db2.gz WEKOMJKWZGJMIJ-UHFFFAOYSA-N -1 1 265.288 3.258 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc3c2OCO3)cc1F ZINC001210562321 814528208 /nfs/dbraw/zinc/52/82/08/814528208.db2.gz RQDRNLWMLHZDHS-UHFFFAOYSA-N -1 1 265.215 3.143 20 0 CGADMM [O-]c1cc(Nc2cncc(N3CCCC3)c2)cc(F)c1F ZINC001210610105 814554317 /nfs/dbraw/zinc/55/43/17/814554317.db2.gz PFBJRXUXLWEODV-UHFFFAOYSA-N -1 1 291.301 3.409 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cccnc1OC(F)F ZINC001210625995 814562683 /nfs/dbraw/zinc/56/26/83/814562683.db2.gz GHDIQJRFAMWBKD-UHFFFAOYSA-N -1 1 288.200 3.410 20 0 CGADMM CCOc1cncc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001210665477 814578292 /nfs/dbraw/zinc/57/82/92/814578292.db2.gz TYCKURPSZZXVIX-UHFFFAOYSA-N -1 1 266.247 3.208 20 0 CGADMM CCOC(=O)Cc1ccnc(-c2cccc([O-])c2Cl)c1 ZINC001242799535 823136555 /nfs/dbraw/zinc/13/65/55/823136555.db2.gz QAWHKLYOPDVKBH-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM COC(=O)c1cnc(-c2cccc([O-])c2Cl)cc1F ZINC001242799456 823136560 /nfs/dbraw/zinc/13/65/60/823136560.db2.gz LSFAUCINCKARQD-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM NC(=O)Nc1ccccc1-c1cccc([O-])c1Cl ZINC001242801250 823136965 /nfs/dbraw/zinc/13/69/65/823136965.db2.gz ZYSGIVMSUJMOTR-UHFFFAOYSA-N -1 1 262.696 3.203 20 0 CGADMM CNC(=O)Cc1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242801306 823137147 /nfs/dbraw/zinc/13/71/47/823137147.db2.gz XNVCQRWHLMQPIQ-UHFFFAOYSA-N -1 1 275.735 3.001 20 0 CGADMM O=C1Cc2cc(F)c(-c3cccc([O-])c3Cl)cc2N1 ZINC001242801370 823137312 /nfs/dbraw/zinc/13/73/12/823137312.db2.gz YZOMBCWFNWYDHU-UHFFFAOYSA-N -1 1 277.682 3.346 20 0 CGADMM COC(=O)c1ncc(-c2cccc([O-])c2Cl)cc1C ZINC001242800768 823137469 /nfs/dbraw/zinc/13/74/69/823137469.db2.gz SVYSSLSTKWRTHY-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM O=c1c(-c2cccc([O-])c2Cl)cccn1-c1ccccn1 ZINC001242802080 823137758 /nfs/dbraw/zinc/13/77/58/823137758.db2.gz PRKSRCOUKWPSGX-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM COc1cc(-c2cc(F)c([O-])cc2F)ccc1F ZINC001211339465 814881960 /nfs/dbraw/zinc/88/19/60/814881960.db2.gz PJIYBWSDQKSQEW-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CC(=O)Nc1ccccc1-c1cc(F)c([O-])cc1F ZINC001211349841 814883618 /nfs/dbraw/zinc/88/36/18/814883618.db2.gz IPPQBKBYFYTPLC-UHFFFAOYSA-N -1 1 263.243 3.296 20 0 CGADMM COC(=O)c1ccc(C)c(-c2cc(F)c([O-])cc2F)c1 ZINC001211350564 814883979 /nfs/dbraw/zinc/88/39/79/814883979.db2.gz UAHZIVJIRPKYGP-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM COc1cncc(-c2cc(F)c([O-])cc2F)c1C ZINC001211350923 814885042 /nfs/dbraw/zinc/88/50/42/814885042.db2.gz YSTSRUIDPZCUDX-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COCOc1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211359117 814885470 /nfs/dbraw/zinc/88/54/70/814885470.db2.gz BEBKOEADGKXQTE-UHFFFAOYSA-N -1 1 266.243 3.320 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3nnc(C4CC4)n3c2)cc1F ZINC001211359549 814885850 /nfs/dbraw/zinc/88/58/50/814885850.db2.gz JDEMKQLMYPQZMF-UHFFFAOYSA-N -1 1 287.269 3.258 20 0 CGADMM CN(C)c1ccc(-c2noc(-c3cccc([O-])c3F)n2)cc1 ZINC001215988711 815652908 /nfs/dbraw/zinc/65/29/08/815652908.db2.gz GVKICSHZYXXQMG-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1N ZINC001216260215 815760197 /nfs/dbraw/zinc/76/01/97/815760197.db2.gz VFIWDLKJXMZAOM-UHFFFAOYSA-N -1 1 266.247 3.005 20 0 CGADMM Cc1cc(Nc2ccc3nccn3c2)cc(C)c1C(=O)[O-] ZINC001216308014 815774601 /nfs/dbraw/zinc/77/46/01/815774601.db2.gz OVBRFRNXIHEQGG-UHFFFAOYSA-N -1 1 281.315 3.393 20 0 CGADMM Cn1ccnc1Nc1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001216357274 815799202 /nfs/dbraw/zinc/79/92/02/815799202.db2.gz FNXDUFHKZRFLQI-UHFFFAOYSA-N -1 1 286.118 3.169 20 0 CGADMM COc1c(F)ccc(Nc2ccnc(Cl)c2[O-])c1OC ZINC001216392166 815810339 /nfs/dbraw/zinc/81/03/39/815810339.db2.gz RPEQWISHXPXMGS-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM Nc1c(Cl)cccc1Nc1ccnc(Cl)c1[O-] ZINC001216526928 815851050 /nfs/dbraw/zinc/85/10/50/815851050.db2.gz YDZKJTQQBLBOGS-UHFFFAOYSA-N -1 1 270.119 3.420 20 0 CGADMM Cc1cccc(-c2noc(-c3cc([O-])cc(F)c3F)n2)n1 ZINC001216924346 815901355 /nfs/dbraw/zinc/90/13/55/815901355.db2.gz FWLDLEADPCAIFA-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1ccc(OC(C)C)cc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001222143072 816359700 /nfs/dbraw/zinc/35/97/00/816359700.db2.gz ANVOYBKKPJKGTR-UHFFFAOYSA-N -1 1 295.346 3.024 20 0 CGADMM Cc1ccc(OC(C)C)cc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001222143072 816359706 /nfs/dbraw/zinc/35/97/06/816359706.db2.gz ANVOYBKKPJKGTR-UHFFFAOYSA-N -1 1 295.346 3.024 20 0 CGADMM O=C([O-])C1(c2ccc(-c3cc4nc[nH]c4cc3F)cc2)CC1 ZINC001222697985 816502763 /nfs/dbraw/zinc/50/27/63/816502763.db2.gz MNVKXWAJMKXFAM-UHFFFAOYSA-N -1 1 296.301 3.485 20 0 CGADMM COc1cccc2cnc(-c3ccc(F)c([O-])c3)nc21 ZINC001243054406 823229973 /nfs/dbraw/zinc/22/99/73/823229973.db2.gz PIPKZWXAKKFQAV-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM O=[P@]([O-])(O)CCCCO[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001225018538 816932692 /nfs/dbraw/zinc/93/26/92/816932692.db2.gz AFJXZXKQQWPZLC-HZSPNIEDSA-N -1 1 290.340 3.320 20 0 CGADMM C[C@H](OCCCC[P@](=O)([O-])O)c1c(F)cccc1F ZINC001225022413 816934208 /nfs/dbraw/zinc/93/42/08/816934208.db2.gz OUQVMEOKXWAHLR-VIFPVBQESA-N -1 1 294.234 3.000 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCCC[C@@H]1F ZINC001225620227 817115556 /nfs/dbraw/zinc/11/55/56/817115556.db2.gz YXVUNOSTNRKANH-STQMWFEESA-N -1 1 252.285 3.254 20 0 CGADMM CC(=O)c1c[n-]c(=O)nc1O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001226238706 817306867 /nfs/dbraw/zinc/30/68/67/817306867.db2.gz XNPXVYPOLKQYBW-JHJVBQTASA-N -1 1 290.363 3.123 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H](C)c1ccc(F)cc1 ZINC001226242325 817308331 /nfs/dbraw/zinc/30/83/31/817308331.db2.gz LPMRVKKJRFWYHT-MRVPVSSYSA-N -1 1 280.324 3.053 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H](C)c1c(F)cccc1F ZINC001226242294 817308510 /nfs/dbraw/zinc/30/85/10/817308510.db2.gz KLHPXICXKAJPKG-SSDOTTSWSA-N -1 1 298.314 3.192 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H](C)c1cccc(F)c1F ZINC001226247542 817311458 /nfs/dbraw/zinc/31/14/58/817311458.db2.gz WXVFWJJSWTZMQK-SSDOTTSWSA-N -1 1 298.314 3.192 20 0 CGADMM Cc1cc(C(=O)[O-])cc(-c2nccc3[nH]ccc32)c1 ZINC001243177826 823274573 /nfs/dbraw/zinc/27/45/73/823274573.db2.gz NXYGYTFRINGSLG-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@@H]2CCc3ccccc32)c1Cl ZINC001227112474 817560898 /nfs/dbraw/zinc/56/08/98/817560898.db2.gz JRJXCPCNZZCQLV-LLVKDONJSA-N -1 1 276.723 3.210 20 0 CGADMM CC1(CNC(=O)NCc2ccc([O-])c(Cl)c2)CCCC1 ZINC001227254795 817609197 /nfs/dbraw/zinc/60/91/97/817609197.db2.gz GYYOYQDCAAFAAF-UHFFFAOYSA-N -1 1 296.798 3.425 20 0 CGADMM CCOC(=O)[C@H](C)Oc1cc(Cl)c([O-])cc1Cl ZINC001227641083 817686526 /nfs/dbraw/zinc/68/65/26/817686526.db2.gz JNOQYWVAJHYVKF-LURJTMIESA-N -1 1 279.119 3.029 20 0 CGADMM Cc1ccc(-c2ccc3nc[nH]c3c2)cc1C(=O)[O-] ZINC001243194461 823284115 /nfs/dbraw/zinc/28/41/15/823284115.db2.gz IWMLEOJGSLHODP-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM C[C@@H]1CC[C@@H](Oc2[n-]c(=S)nc3cnccc32)C1 ZINC001227881697 817742077 /nfs/dbraw/zinc/74/20/77/817742077.db2.gz NQJKPPWLUFIVNU-RKDXNWHRSA-N -1 1 261.350 3.255 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)c1ccccn1 ZINC001228553315 817936355 /nfs/dbraw/zinc/93/63/55/817936355.db2.gz AOEXMDUNTFXYNB-SNVBAGLBSA-N -1 1 287.315 3.226 20 0 CGADMM CC[C@H](Oc1cnnc(=S)[n-]1)c1cccc(F)c1C ZINC001228642166 817961091 /nfs/dbraw/zinc/96/10/91/817961091.db2.gz MLZGCTZVOXYFMM-NSHDSACASA-N -1 1 279.340 3.138 20 0 CGADMM C[C@]1(F)CCN(Cc2cccc([O-])c2Cl)C[C@H]1F ZINC001232784877 818439775 /nfs/dbraw/zinc/43/97/75/818439775.db2.gz XFORQBGESOTTMZ-YPMHNXCESA-N -1 1 275.726 3.318 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@@H]2c2ccccn2)c1F ZINC001232934192 818475844 /nfs/dbraw/zinc/47/58/44/818475844.db2.gz BCPACRIIWWFHFZ-CQSZACIVSA-N -1 1 290.313 3.403 20 0 CGADMM CCN(Cc1cc([O-])c(F)c(F)c1)Cc1ccccn1 ZINC001232973325 818487117 /nfs/dbraw/zinc/48/71/17/818487117.db2.gz UDEKULGMIIUGLF-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM C[C@]1(F)CCCCN(Cc2cc(Cl)ncc2[O-])C1 ZINC001233032262 818504114 /nfs/dbraw/zinc/50/41/14/818504114.db2.gz HSYPOPOJMJRHOU-ZDUSSCGKSA-N -1 1 272.751 3.155 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CC[C@@H]1c1ccccc1 ZINC001233039327 818508361 /nfs/dbraw/zinc/50/83/61/818508361.db2.gz UBQCBSGMZNPQFW-CYBMUJFWSA-N -1 1 274.751 3.388 20 0 CGADMM C[C@H]1Oc2ccc(-c3ccc([O-])c(F)c3F)cc2NC1=O ZINC001243342029 823355309 /nfs/dbraw/zinc/35/53/09/823355309.db2.gz HMOJGHHCLRPBFE-SSDOTTSWSA-N -1 1 291.253 3.057 20 0 CGADMM CC(C)(C)c1ncc(-c2ccc([O-])c(F)c2F)cn1 ZINC001243340856 823353688 /nfs/dbraw/zinc/35/36/88/823353688.db2.gz HYOOSYSIPJDADG-UHFFFAOYSA-N -1 1 264.275 3.425 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C)CC(OC)OC ZINC001233649961 818670064 /nfs/dbraw/zinc/67/00/64/818670064.db2.gz GIZIDXNIXMHEGC-NSHDSACASA-N -1 1 296.363 3.151 20 0 CGADMM COc1cc2nc[nH]c2cc1-c1ccc([O-])c(F)c1F ZINC001243342607 823356759 /nfs/dbraw/zinc/35/67/59/823356759.db2.gz KVKQSYBAFYVESI-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM C[C@@H]1C(=O)Nc2ccc(-c3ccc([O-])c(F)c3F)cc21 ZINC001243342798 823357414 /nfs/dbraw/zinc/35/74/14/823357414.db2.gz UPZAAGSPOJQVPT-ZETCQYMHSA-N -1 1 275.254 3.393 20 0 CGADMM C[C@H]1C(=O)Nc2ccc(-c3ccc([O-])c(F)c3F)cc21 ZINC001243342797 823357911 /nfs/dbraw/zinc/35/79/11/823357911.db2.gz UPZAAGSPOJQVPT-SSDOTTSWSA-N -1 1 275.254 3.393 20 0 CGADMM C[S@](=N)(=O)c1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243342585 823358105 /nfs/dbraw/zinc/35/81/05/823358105.db2.gz JKEFBDRWZWHZCZ-IBGZPJMESA-N -1 1 283.299 3.373 20 0 CGADMM O=c1cc(-c2ccc([O-])c(F)c2F)ccn1-c1ccccc1 ZINC001243343510 823359274 /nfs/dbraw/zinc/35/92/74/823359274.db2.gz FWPNNFRRWAVILB-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM COC(=O)c1nc2cc(-c3ccncc3Cl)ccc2[n-]1 ZINC001243385481 823385143 /nfs/dbraw/zinc/38/51/43/823385143.db2.gz SHYOPBUGEJYOET-UHFFFAOYSA-N -1 1 287.706 3.065 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccncc3Cl)cc2[n-]1 ZINC001243385481 823385146 /nfs/dbraw/zinc/38/51/46/823385146.db2.gz SHYOPBUGEJYOET-UHFFFAOYSA-N -1 1 287.706 3.065 20 0 CGADMM CSc1nccc(-c2c(F)ccc(C)c2[O-])n1 ZINC001236391118 819447638 /nfs/dbraw/zinc/44/76/38/819447638.db2.gz LDWXULNMRYWFPB-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM Oc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)ccc1Br ZINC001236699779 819574634 /nfs/dbraw/zinc/57/46/34/819574634.db2.gz WNOQXTCMWUUVOQ-GXSJLCMTSA-N -1 1 282.181 3.139 20 0 CGADMM O=C1CCCN1c1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243504117 823422664 /nfs/dbraw/zinc/42/26/64/823422664.db2.gz YOCSRTIDAUNUPU-UHFFFAOYSA-N -1 1 289.281 3.464 20 0 CGADMM Cc1cnc(-c2cccc([O-])c2F)nc1NC(C)C ZINC001243540905 823435734 /nfs/dbraw/zinc/43/57/34/823435734.db2.gz FLQFAGRYKKVXIT-UHFFFAOYSA-N -1 1 261.300 3.117 20 0 CGADMM CC(C)(C)Oc1ccnc(-c2cccc([O-])c2F)n1 ZINC001243541066 823435947 /nfs/dbraw/zinc/43/59/47/823435947.db2.gz CXKDMCOZQGXRTE-UHFFFAOYSA-N -1 1 262.284 3.166 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1CN1CCn2cccc2[C@H]1C ZINC001238146483 819942332 /nfs/dbraw/zinc/94/23/32/819942332.db2.gz XAXHNUIDNDLMRN-CYBMUJFWSA-N -1 1 284.359 3.072 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@@]3(CC3(F)F)C2)cc1Cl ZINC001238150869 819943259 /nfs/dbraw/zinc/94/32/59/819943259.db2.gz BYFFVBQPSFKEJS-GFCCVEGCSA-N -1 1 291.700 3.416 20 0 CGADMM COC(=O)c1cc(C)nc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243577084 823451337 /nfs/dbraw/zinc/45/13/37/823451337.db2.gz SIMYALRCMIVALS-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CC1(c2ccc(-c3ccc(Cl)c([O-])c3)cn2)OCCO1 ZINC001243581962 823454186 /nfs/dbraw/zinc/45/41/86/823454186.db2.gz OSPVCHAAJRGIIJ-UHFFFAOYSA-N -1 1 291.734 3.327 20 0 CGADMM CN1C(=O)NCc2c(-c3ccc(Cl)c([O-])c3)cccc21 ZINC001243581490 823454421 /nfs/dbraw/zinc/45/44/21/823454421.db2.gz GSFNVSPZWCPGEE-UHFFFAOYSA-N -1 1 288.734 3.372 20 0 CGADMM O=[P@@]([O-])(O)c1ccc(-c2cccc3ccccc32)cc1 ZINC001239472378 820322355 /nfs/dbraw/zinc/32/23/55/820322355.db2.gz QTVFDNMHQVQGNL-UHFFFAOYSA-N -1 1 284.251 3.310 20 0 CGADMM O=[P@]([O-])(O)c1ccc(-c2cccc3ccccc32)cc1 ZINC001239472378 820322366 /nfs/dbraw/zinc/32/23/66/820322366.db2.gz QTVFDNMHQVQGNL-UHFFFAOYSA-N -1 1 284.251 3.310 20 0 CGADMM O=C([O-])/C=C/c1cccc(-c2cccc3cncn32)c1 ZINC001240550029 821136760 /nfs/dbraw/zinc/13/67/60/821136760.db2.gz MJFBYTNKQRHDNM-BQYQJAHWSA-N -1 1 264.284 3.099 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cccnc3C)ccc2[n-]1 ZINC001240730389 821284104 /nfs/dbraw/zinc/28/41/04/821284104.db2.gz MHUAQXAPSMVGID-UHFFFAOYSA-N -1 1 281.315 3.110 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cccnc3C)cc2[n-]1 ZINC001240730389 821284111 /nfs/dbraw/zinc/28/41/11/821284111.db2.gz MHUAQXAPSMVGID-UHFFFAOYSA-N -1 1 281.315 3.110 20 0 CGADMM CCSc1cncc(-c2ccc([O-])c(F)c2)n1 ZINC001240785805 821324382 /nfs/dbraw/zinc/32/43/82/821324382.db2.gz FKZRUHWALARPRQ-UHFFFAOYSA-N -1 1 250.298 3.100 20 0 CGADMM COc1cccc2cnc(-c3ccc(C)cc3[O-])nc21 ZINC001241030768 821506353 /nfs/dbraw/zinc/50/63/53/821506353.db2.gz RPMVSLPHDQNLFK-UHFFFAOYSA-N -1 1 266.300 3.319 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(C)cc3O)ccc2[n-]1 ZINC001241043851 821517640 /nfs/dbraw/zinc/51/76/40/821517640.db2.gz ZYFLHPIQJBMKPL-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(C)cc3O)cc2[n-]1 ZINC001241043851 821517646 /nfs/dbraw/zinc/51/76/46/821517646.db2.gz ZYFLHPIQJBMKPL-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM CSc1nc(C)cc(-c2c(F)cc([O-])cc2F)n1 ZINC001241116669 821572108 /nfs/dbraw/zinc/57/21/08/821572108.db2.gz FSUCWYVUIORKHE-UHFFFAOYSA-N -1 1 268.288 3.158 20 0 CGADMM CN1Cc2ccc(-c3c(F)cc([O-])cc3F)cc2NC1=O ZINC001241121575 821576799 /nfs/dbraw/zinc/57/67/99/821576799.db2.gz MZEIZSIGGFERNO-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM Cc1cc2c(cc1-c1c(F)cc([O-])cc1F)CC(=O)N2 ZINC001241121917 821578940 /nfs/dbraw/zinc/57/89/40/821578940.db2.gz SMKGKBJPCPWSFN-UHFFFAOYSA-N -1 1 275.254 3.140 20 0 CGADMM CCCc1ccc(-c2c(F)ccc([O-])c2F)nn1 ZINC001241290290 821706047 /nfs/dbraw/zinc/70/60/47/821706047.db2.gz OKTJVROIEBFEJG-UHFFFAOYSA-N -1 1 250.248 3.080 20 0 CGADMM O=C([O-])c1cccc(-c2cc3nc[nH]c3cc2F)c1 ZINC001241360727 821761542 /nfs/dbraw/zinc/76/15/42/821761542.db2.gz IWDGYNKMQHAUGK-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM CC(=O)Nc1cccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242141627 822891654 /nfs/dbraw/zinc/89/16/54/822891654.db2.gz SZPPWRYAVKXXAN-UHFFFAOYSA-N -1 1 296.248 3.431 20 0 CGADMM Cc1nc2c(cncc2-c2cc(C(=O)[O-])cc(F)c2C)[nH]1 ZINC001242211624 822911851 /nfs/dbraw/zinc/91/18/51/822911851.db2.gz LZFLJOIWEGJAHS-UHFFFAOYSA-N -1 1 285.278 3.079 20 0 CGADMM Cc1nc2c[nH]cc(-c3cc(C(=O)[O-])cc(F)c3C)c-2n1 ZINC001242211624 822911848 /nfs/dbraw/zinc/91/18/48/822911848.db2.gz LZFLJOIWEGJAHS-UHFFFAOYSA-N -1 1 285.278 3.079 20 0 CGADMM COc1c(F)cc(F)cc1-c1ccc(F)cc1[O-] ZINC001242218099 822914740 /nfs/dbraw/zinc/91/47/40/822914740.db2.gz RQZZSNFQCGVAIM-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COC(=O)c1c(F)ccc(-c2ccc(F)cc2[O-])c1F ZINC001242220737 822917072 /nfs/dbraw/zinc/91/70/72/822917072.db2.gz NTXWYEYANOQGLN-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM CN(C)Cc1ccc(-c2cccc(CC(=O)[O-])c2)cc1F ZINC001242266224 822931097 /nfs/dbraw/zinc/93/10/97/822931097.db2.gz ZXQVHDIDUPNTSD-UHFFFAOYSA-N -1 1 287.334 3.181 20 0 CGADMM CCCNc1cc(C)nc(-c2cccc(C)c2[O-])n1 ZINC001242343531 822957424 /nfs/dbraw/zinc/95/74/24/822957424.db2.gz WSUSIRJCRXOHOX-UHFFFAOYSA-N -1 1 257.337 3.288 20 0 CGADMM Cc1cc2[nH]ccc2c(-c2cccc(C(=O)[O-])c2F)n1 ZINC001242378051 822973998 /nfs/dbraw/zinc/97/39/98/822973998.db2.gz OBJHTFBSKJWBEU-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM C[C@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C1(C)CC1 ZINC001346654021 936855557 /nfs/dbraw/zinc/85/55/57/936855557.db2.gz BSFIAHLISVDJIN-VIFPVBQESA-N -1 1 282.771 3.033 20 0 CGADMM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001441140306 937337370 /nfs/dbraw/zinc/33/73/70/937337370.db2.gz XVSLRTHKFBUEOF-NWDGAFQWSA-N -1 1 276.380 3.122 20 0 CGADMM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc([O-])cn1 ZINC001442572101 937342917 /nfs/dbraw/zinc/34/29/17/937342917.db2.gz RDJMMGICQRWAGW-MRXNPFEDSA-N -1 1 284.359 3.401 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(F)c([O-])c2)C[C@@H]1C ZINC001447497036 937369158 /nfs/dbraw/zinc/36/91/58/937369158.db2.gz SJHQLFRKTICGCC-SCVCMEIPSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@H](COCC1CC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001452892843 937399278 /nfs/dbraw/zinc/39/92/78/937399278.db2.gz RBKRFSSSPFBUGE-GFCCVEGCSA-N -1 1 299.370 3.090 20 0 CGADMM CC1(C)CC(NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC001453828232 937404380 /nfs/dbraw/zinc/40/43/80/937404380.db2.gz HBRJUDALIXBMPJ-UHFFFAOYSA-N -1 1 287.281 3.329 20 0 CGADMM CC(C)(C)c1ccc(NC(=O)c2cccc([O-])c2F)cn1 ZINC001456833058 937435609 /nfs/dbraw/zinc/43/56/09/937435609.db2.gz IGGQLRPNTROFGV-UHFFFAOYSA-N -1 1 288.322 3.476 20 0 CGADMM CCc1ccc2c(c1)CCN2C(=O)c1cc(F)ccc1[O-] ZINC001457071401 937437968 /nfs/dbraw/zinc/43/79/68/937437968.db2.gz TVKRHMHBMXOXBO-UHFFFAOYSA-N -1 1 285.318 3.297 20 0 CGADMM O=c1ccc2c(O[C@H]3CCC(F)(F)C3)cc([O-])cc2o1 ZINC001229131655 932101435 /nfs/dbraw/zinc/10/14/35/932101435.db2.gz MMLUKOKFNXPSJG-VIFPVBQESA-N -1 1 282.242 3.065 20 0 CGADMM C[C@H](Oc1cc([O-])cc2oc(=O)ccc12)c1nccs1 ZINC001229135772 932102932 /nfs/dbraw/zinc/10/29/32/932102932.db2.gz QCNFKFKIZYHIPS-QMMMGPOBSA-N -1 1 289.312 3.095 20 0 CGADMM CC1(C)COC(=O)[C@H]1Oc1cc([O-])c(Cl)cc1Cl ZINC001229409068 932146601 /nfs/dbraw/zinc/14/66/01/932146601.db2.gz AMDVTEHOIVMRMR-SNVBAGLBSA-N -1 1 291.130 3.029 20 0 CGADMM CCC(=O)c1ccc([O-])cc1OC1CCSCC1 ZINC001229474975 932157394 /nfs/dbraw/zinc/15/73/94/932157394.db2.gz NZESJILVOATDNB-UHFFFAOYSA-N -1 1 266.362 3.259 20 0 CGADMM COc1ccc2nc(O[C@H](C)C3=CC=C[CH]3)[nH]c2c1 ZINC001229731648 932476494 /nfs/dbraw/zinc/47/64/94/932476494.db2.gz XDBWYZLIHUCLDA-SNVBAGLBSA-N -1 1 255.297 3.039 20 0 CGADMM COc1cc(-c2cc(F)c([O-])c(F)c2)cc(OC)c1OC ZINC001244094187 932707000 /nfs/dbraw/zinc/70/70/00/932707000.db2.gz POQPBOZEXHRACV-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM COC(=O)c1ccc(C)c(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244094120 932707011 /nfs/dbraw/zinc/70/70/11/932707011.db2.gz OQMYNOHHHLDWLM-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM CN(Cc1ccc([O-])c(F)c1F)c1cccc(O)c1 ZINC001462427721 937640832 /nfs/dbraw/zinc/64/08/32/937640832.db2.gz RITIQLXICYDFHM-UHFFFAOYSA-N -1 1 265.259 3.012 20 0 CGADMM Cc1nc(SCC=C(Cl)Cl)[n-]c(=O)c1C ZINC001307323225 932940760 /nfs/dbraw/zinc/94/07/60/932940760.db2.gz QDLBCJNYGQUJJB-UHFFFAOYSA-N -1 1 265.165 3.210 20 0 CGADMM C[C@H]1CCCC[C@H]1CCNC(=O)c1cccc([O-])c1F ZINC001465153170 937698429 /nfs/dbraw/zinc/69/84/29/937698429.db2.gz HUMVMJHQIVHSMC-RYUDHWBXSA-N -1 1 279.355 3.478 20 0 CGADMM O=C(Nc1ccc2scnc2c1)c1cccc([O-])c1F ZINC001464677118 937694263 /nfs/dbraw/zinc/69/42/63/937694263.db2.gz YMWSOMYHRYYXEF-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc([O-])c2F)C1 ZINC001465441375 937700918 /nfs/dbraw/zinc/70/09/18/937700918.db2.gz CWJZLRYWXWCJBI-MNOVXSKESA-N -1 1 297.395 3.278 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NCC2(CC(C)C)CC2)c1 ZINC001466021052 937705845 /nfs/dbraw/zinc/70/58/45/937705845.db2.gz XVTLNZLDIFZJRL-UHFFFAOYSA-N -1 1 289.375 3.069 20 0 CGADMM CCn1c2ccc(C)cc2nc1NC(=O)c1ccccc1[O-] ZINC001546156360 937708642 /nfs/dbraw/zinc/70/86/42/937708642.db2.gz QABRYVMELNEOPA-UHFFFAOYSA-N -1 1 295.342 3.323 20 0 CGADMM O=C(NC12CCC(CC1)C2)c1ccc(C(F)(F)F)c([O-])c1 ZINC001466828279 937712923 /nfs/dbraw/zinc/71/29/23/937712923.db2.gz UYMYJRBLTWMRFF-UHFFFAOYSA-N -1 1 299.292 3.474 20 0 CGADMM CC[C@H](NC(=O)c1cc(C)cc(C=O)c1[O-])C1CCCC1 ZINC001468000878 937723577 /nfs/dbraw/zinc/72/35/77/937723577.db2.gz YKNWHQCXDPFQOW-HNNXBMFYSA-N -1 1 289.375 3.212 20 0 CGADMM C/C(=C/c1ccco1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001468004092 937723655 /nfs/dbraw/zinc/72/36/55/937723655.db2.gz XWNYCEHQKJRGQV-FPLPWBNLSA-N -1 1 279.242 3.305 20 0 CGADMM CCCN(C(=O)c1ccc([O-])cn1)c1ccc(CC)cc1 ZINC001468189251 937725337 /nfs/dbraw/zinc/72/53/37/937725337.db2.gz BRBAOBHQINNPOG-UHFFFAOYSA-N -1 1 284.359 3.406 20 0 CGADMM CC(=O)c1ccc(NC(=O)c2cccc([O-])c2F)cc1C ZINC001468653410 937730188 /nfs/dbraw/zinc/73/01/88/937730188.db2.gz SIKFXIXSCURHGG-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM Cc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001468745302 937731408 /nfs/dbraw/zinc/73/14/08/937731408.db2.gz PKYIGBZFQPLENO-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@@H]1CC/C(=C/C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC001469162335 937736154 /nfs/dbraw/zinc/73/61/54/937736154.db2.gz WFDLAEKPSUNADZ-CPJBWDMUSA-N -1 1 267.275 3.355 20 0 CGADMM O=C(N[C@@H]1CCCC[C@H]1F)c1ccc(Cl)cc1[O-] ZINC001468985731 937733884 /nfs/dbraw/zinc/73/38/84/937733884.db2.gz PRWZXMJOWIYUGZ-GHMZBOCLSA-N -1 1 271.719 3.056 20 0 CGADMM C[C@@H]1CCC[C@@H](C(=O)[N-]Oc2ccc(F)cc2)C1 ZINC001469938193 937746055 /nfs/dbraw/zinc/74/60/55/937746055.db2.gz VPSFJOXFBKECCQ-GHMZBOCLSA-N -1 1 251.301 3.062 20 0 CGADMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cccc([O-])c2F)C1 ZINC001470167520 937748785 /nfs/dbraw/zinc/74/87/85/937748785.db2.gz KNZOPWXLXDLCLD-GHMZBOCLSA-N -1 1 265.328 3.182 20 0 CGADMM CN(CC1=CCSC1)C(=O)c1cc2ccccc2cc1[O-] ZINC001470418466 937752350 /nfs/dbraw/zinc/75/23/50/937752350.db2.gz MCSIGXUKYHUVFE-UHFFFAOYSA-N -1 1 299.395 3.291 20 0 CGADMM Cc1ccc(C)c(C(=O)Nc2cccc(F)c2[O-])c1 ZINC001471166166 937761758 /nfs/dbraw/zinc/76/17/58/937761758.db2.gz AYCPEROCHXATSG-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CCCCCN(CCCCC)C(=O)c1cnncc1[O-] ZINC001335726162 936157192 /nfs/dbraw/zinc/15/71/92/936157192.db2.gz HPCNDXWUKDUWES-UHFFFAOYSA-N -1 1 279.384 3.005 20 0 CGADMM CC(C)(C)[C@@H]1CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001336356298 936190109 /nfs/dbraw/zinc/19/01/09/936190109.db2.gz OTQHISWXIBMMKX-ZDUSSCGKSA-N -1 1 281.783 3.235 20 0 CGADMM [O-]c1ccc(CN[C@H]2CCCc3cccnc32)c(F)c1F ZINC001474733529 937877516 /nfs/dbraw/zinc/87/75/16/937877516.db2.gz DTKCEDHGBFUKQT-LBPRGKRZSA-N -1 1 290.313 3.233 20 0 CGADMM O=C([N-]c1ccnc(Cl)c1F)c1nc(Cl)cs1 ZINC001535524198 938101687 /nfs/dbraw/zinc/10/16/87/938101687.db2.gz AYLQDCURJHDEBF-UHFFFAOYSA-N -1 1 292.122 3.236 20 0 CGADMM O=C(NCc1ccccc1Cl)c1ccc(F)c([O-])c1 ZINC001540331609 938130251 /nfs/dbraw/zinc/13/02/51/938130251.db2.gz HBISNDLKZFSKPF-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM O=C([N-]c1ncc(F)cc1Cl)c1ocnc1C(F)F ZINC001543042482 938137705 /nfs/dbraw/zinc/13/77/05/938137705.db2.gz ARGMISYXQQZCGP-UHFFFAOYSA-N -1 1 291.616 3.052 20 0 CGADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(F)c([O-])c1 ZINC001543531824 938140103 /nfs/dbraw/zinc/14/01/03/938140103.db2.gz OWRWBKHWKOVTRX-DMDPSCGWSA-N -1 1 277.339 3.230 20 0 CGADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(F)ccc1[O-] ZINC001543738745 938141253 /nfs/dbraw/zinc/14/12/53/938141253.db2.gz ZJZPDCXWDFOFHH-HNNXBMFYSA-N -1 1 285.318 3.257 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1C[C@H]2[C@@H](C1)C1CCC2CC1 ZINC001549421901 938157041 /nfs/dbraw/zinc/15/70/41/938157041.db2.gz BXURERSVZGWJDA-QCBYLEPLSA-N -1 1 289.350 3.040 20 0 CGADMM Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])c(=O)[nH]1 ZINC001556130566 938201994 /nfs/dbraw/zinc/20/19/94/938201994.db2.gz NQELAOQTALMMJH-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1ccc(F)cc1F ZINC001556592086 938204503 /nfs/dbraw/zinc/20/45/03/938204503.db2.gz XKINEFHXBYPNGT-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM O=C(NC[C@@H]1CCCCC1(F)F)c1ccc(F)c([O-])c1 ZINC001556747035 938205353 /nfs/dbraw/zinc/20/53/53/938205353.db2.gz AMEBMJOBHIPRHE-JTQLQIEISA-N -1 1 287.281 3.087 20 0 CGADMM O=C(NC[C@H]1CCCCC1(F)F)c1ccc(F)c([O-])c1 ZINC001556747036 938205477 /nfs/dbraw/zinc/20/54/77/938205477.db2.gz AMEBMJOBHIPRHE-SNVBAGLBSA-N -1 1 287.281 3.087 20 0 CGADMM O=C(NCC[C@@H]1CCc2ccccc21)c1ccc(F)c([O-])c1 ZINC001556830403 938206047 /nfs/dbraw/zinc/20/60/47/938206047.db2.gz DLPOGMVCHDIYTH-ZDUSSCGKSA-N -1 1 299.345 3.381 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1nc(C2CC2)cs1 ZINC001557086704 938207721 /nfs/dbraw/zinc/20/77/21/938207721.db2.gz AMXLHENEWNPQIN-UHFFFAOYSA-N -1 1 296.298 3.257 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccoc1C1CC1 ZINC001557086864 938207835 /nfs/dbraw/zinc/20/78/35/938207835.db2.gz JHGFDOUZBOTBGQ-UHFFFAOYSA-N -1 1 279.242 3.393 20 0 CGADMM CSc1ccc(Cl)c(NC(=O)c2ccc([O-])cn2)c1 ZINC001557468749 938210124 /nfs/dbraw/zinc/21/01/24/938210124.db2.gz FOXNBKSDWYVXTL-UHFFFAOYSA-N -1 1 294.763 3.415 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@H](C2CCC2)C1 ZINC001557557738 938210764 /nfs/dbraw/zinc/21/07/64/938210764.db2.gz FMRULEYNQCYRLY-ZDUSSCGKSA-N -1 1 277.339 3.184 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H]2CC[C@@H](C)C2)n1 ZINC001559324155 938225260 /nfs/dbraw/zinc/22/52/60/938225260.db2.gz FBXMRWMCFUZLTE-KOLCDFICSA-N -1 1 252.383 3.415 20 0 CGADMM Cn1cccc1[C@@H]1CCCN1Cc1ccc([O-])c(F)c1F ZINC001560725380 938272488 /nfs/dbraw/zinc/27/24/88/938272488.db2.gz CWQXUYJDWSUZEL-ZDUSSCGKSA-N -1 1 292.329 3.346 20 0 CGADMM [O-]c1ccc(CNC2(C(F)F)CCCC2)c(F)c1F ZINC001560864273 938280607 /nfs/dbraw/zinc/28/06/07/938280607.db2.gz PQOXLBAQLLTWBZ-UHFFFAOYSA-N -1 1 277.261 3.338 20 0 CGADMM CC1(CC(F)F)CN(Cc2ccc([O-])c(F)c2F)C1 ZINC001560902141 938282969 /nfs/dbraw/zinc/28/29/69/938282969.db2.gz OXCFJSXVTPAYIT-UHFFFAOYSA-N -1 1 277.261 3.148 20 0 CGADMM C[C@@H](N[C@@H](C)c1ccccc1)c1ccc(C(=O)[O-])o1 ZINC000232424458 960265904 /nfs/dbraw/zinc/26/59/04/960265904.db2.gz JATZHFFHHWPPOR-WDEREUQCSA-N -1 1 259.305 3.390 20 0 CGADMM CC[C@H](C)[C@@H](C)N(Cc1ncc(C(=O)[O-])s1)C1CC1 ZINC001594880619 960520227 /nfs/dbraw/zinc/52/02/27/960520227.db2.gz CKBZEPVPIZASLB-VHSXEESVSA-N -1 1 282.409 3.240 20 0 CGADMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc([O-])cn1 ZINC001566347712 960921270 /nfs/dbraw/zinc/92/12/70/960921270.db2.gz SAKIAFZUIAKWFW-HNNXBMFYSA-N -1 1 298.386 3.271 20 0 CGADMM CC(C)c1nnc(C(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC001566589057 960961566 /nfs/dbraw/zinc/96/15/66/960961566.db2.gz OUSKZKGHOWTVPO-UHFFFAOYSA-N -1 1 297.767 3.273 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2cnccc2n1 ZINC001567234826 961147517 /nfs/dbraw/zinc/14/75/17/961147517.db2.gz OSIWAPPIEXTDFJ-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM O=C(/C=C\c1cccc(O)c1)Nc1ccc([O-])c(F)c1F ZINC001569012824 961663598 /nfs/dbraw/zinc/66/35/98/961663598.db2.gz OIWRBYMKQZWRBE-DAXSKMNVSA-N -1 1 291.253 3.028 20 0 CGADMM CC(C)(CNC(=O)c1ccc(F)c([O-])c1)C1CCC1 ZINC001569189753 961718283 /nfs/dbraw/zinc/71/82/83/961718283.db2.gz TYFUNORLJLCCHV-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM O=C(/C=C\c1cccs1)Nc1cc(F)cc(F)c1[O-] ZINC001570465511 961976605 /nfs/dbraw/zinc/97/66/05/961976605.db2.gz BZGLYBFPUWVQLJ-ARJAWSKDSA-N -1 1 281.283 3.384 20 0 CGADMM Cc1ccc(CCNC(=O)c2cc(F)ccc2[O-])c(C)c1 ZINC001583579618 962825075 /nfs/dbraw/zinc/82/50/75/962825075.db2.gz RZUKPTKEEASODO-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)C(C)(C)c2ccccc2)c([O-])c1 ZINC001584637865 962944870 /nfs/dbraw/zinc/94/48/70/962944870.db2.gz NURKSAJJJJQJSS-CYBMUJFWSA-N -1 1 298.386 3.192 20 0 CGADMM CC[C@@H](C)[C@H](C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001586471965 963109204 /nfs/dbraw/zinc/10/92/04/963109204.db2.gz SGGREAWJSLJMPY-MNOVXSKESA-N -1 1 287.359 3.415 20 0 CGADMM O=C(NCC[C@H]1CC=CCC1)c1ccc(F)c([O-])c1 ZINC001587349392 963184442 /nfs/dbraw/zinc/18/44/42/963184442.db2.gz JAGNQMXSJSLSPO-NSHDSACASA-N -1 1 263.312 3.008 20 0 CGADMM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001587543623 963201290 /nfs/dbraw/zinc/20/12/90/963201290.db2.gz DHGKYWXPYWXMKQ-NWDGAFQWSA-N -1 1 297.395 3.325 20 0 CGADMM C[C@@H](c1cccc(Cl)c1F)N1CCC[C@H](C(=O)[O-])C1 ZINC001589174597 963353021 /nfs/dbraw/zinc/35/30/21/963353021.db2.gz DBVHMQXBCAYFMS-UWVGGRQHSA-N -1 1 285.746 3.337 20 0 CGADMM CC[C@H]1CCCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001595452889 981116540 /nfs/dbraw/zinc/11/65/40/981116540.db2.gz HBTJLWYESZVNEM-LBPRGKRZSA-N -1 1 287.363 3.026 20 0 CGADMM C/C=C/C[C@H]1CCCN(Cc2ncc(C(=O)[O-])s2)C1 ZINC001594685826 987058105 /nfs/dbraw/zinc/05/81/05/987058105.db2.gz GVOZGDXHYSYBFX-VUDBWIFFSA-N -1 1 280.393 3.020 20 0 CGADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)[C@H](C)CCO1 ZINC001599865635 989248234 /nfs/dbraw/zinc/24/82/34/989248234.db2.gz FNUUHTMQTVOHJE-GHMZBOCLSA-N -1 1 297.782 3.038 20 0 CGADMM C[C@H](N[C@H](c1ccncc1)C1CC1)c1cc(C(=O)[O-])co1 ZINC001593210891 994257415 /nfs/dbraw/zinc/25/74/15/994257415.db2.gz TZBNKACONMNXPA-BONVTDFDSA-N -1 1 286.331 3.175 20 0 CGADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC[C@@]2(CC=CCC2)C1 ZINC001593729153 996291641 /nfs/dbraw/zinc/29/16/41/996291641.db2.gz JRNSOKSNUDYJPJ-LRDDRELGSA-N -1 1 290.363 3.256 20 0 CGADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCCC2(CCCCC2)C1 ZINC001593730677 996296306 /nfs/dbraw/zinc/29/63/06/996296306.db2.gz RPQQJYOBBKIYER-LBPRGKRZSA-N -1 1 292.379 3.480 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC(C2CC2)CC1 ZINC001593731679 996304461 /nfs/dbraw/zinc/30/44/61/996304461.db2.gz HTLDGPNLSXDSOB-VIFPVBQESA-N -1 1 280.393 3.024 20 0 CGADMM O=C(Nc1ccc2ccc(Cl)cc2n1)c1cncc([O-])c1 ZINC000337697814 214222302 /nfs/dbraw/zinc/22/23/02/214222302.db2.gz UQXKMCDCOLPEOO-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM CO[C@@H](C)c1nc(=N[C@H](CC(F)(F)F)C(C)C)s[n-]1 ZINC000337943591 214324347 /nfs/dbraw/zinc/32/43/47/214324347.db2.gz MRICXSAVHMFFKK-JGVFFNPUSA-N -1 1 297.346 3.056 20 0 CGADMM CC[C@@H](C)[C@@H](OC)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436881597 529406013 /nfs/dbraw/zinc/40/60/13/529406013.db2.gz XMHXLMWSXYUOHK-PRHODGIISA-N -1 1 280.299 3.315 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000433808008 529548862 /nfs/dbraw/zinc/54/88/62/529548862.db2.gz NOSKUBHZNLJTIR-UHFFFAOYSA-N -1 1 297.326 3.328 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cc(F)ccc2C)n1 ZINC000436188704 529567293 /nfs/dbraw/zinc/56/72/93/529567293.db2.gz ORGPVTJRCAQCTC-UHFFFAOYSA-N -1 1 278.352 3.484 20 0 CGADMM CC[C@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCCO1 ZINC000436603385 529570262 /nfs/dbraw/zinc/57/02/62/529570262.db2.gz HXQFJPMIJRTQRP-HOTGVXAUSA-N -1 1 299.370 3.233 20 0 CGADMM COCc1cccc(-c2nc3cccc(F)c3c(=O)[n-]2)c1 ZINC000591726273 346933892 /nfs/dbraw/zinc/93/38/92/346933892.db2.gz HBPGUHQYIXVUQO-UHFFFAOYSA-N -1 1 284.290 3.288 20 0 CGADMM CN(C)c1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000436893986 529817212 /nfs/dbraw/zinc/81/72/12/529817212.db2.gz RBNRBZVBRVPQQS-UHFFFAOYSA-N -1 1 297.314 3.301 20 0 CGADMM CCC[C@@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000021013664 344892383 /nfs/dbraw/zinc/89/23/83/344892383.db2.gz JFCUGWUAWLTXQG-LLVKDONJSA-N -1 1 257.333 3.464 20 0 CGADMM O=S(=O)([N-]c1ccccc1Oc1ccccc1)C1CC1 ZINC000044444353 345010218 /nfs/dbraw/zinc/01/02/18/345010218.db2.gz JYXYZTQBQXWZJB-UHFFFAOYSA-N -1 1 289.356 3.383 20 0 CGADMM O=C(Nc1nc(-c2ccco2)cs1)c1ccccc1[O-] ZINC000076383174 345541524 /nfs/dbraw/zinc/54/15/24/345541524.db2.gz RMZFNIFQELAVBR-UHFFFAOYSA-N -1 1 286.312 3.361 20 0 CGADMM O=S(=O)(CCC1CCCCC1)c1ccc([O-])cc1 ZINC000078797490 345622356 /nfs/dbraw/zinc/62/23/56/345622356.db2.gz LALTZAOZVKXDFO-UHFFFAOYSA-N -1 1 268.378 3.136 20 0 CGADMM C[C@H](c1cccc(Cl)c1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133624 345804795 /nfs/dbraw/zinc/80/47/95/345804795.db2.gz LDSDATVUDCTTEZ-MFKMUULPSA-N -1 1 299.823 3.293 20 0 CGADMM CC(C)(C)CCC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000096744102 345906148 /nfs/dbraw/zinc/90/61/48/345906148.db2.gz PXUQRMZRMOGSTM-UHFFFAOYSA-N -1 1 291.363 3.069 20 0 CGADMM COc1ccc(CN(C)Cc2ccsc2C(=O)[O-])cc1 ZINC000110955770 345947075 /nfs/dbraw/zinc/94/70/75/345947075.db2.gz DMITVEYSJADUIP-UHFFFAOYSA-N -1 1 291.372 3.087 20 0 CGADMM CC1(C)CCC[C@@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000128690889 346043291 /nfs/dbraw/zinc/04/32/91/346043291.db2.gz USAKDTGLOSTNRI-LLVKDONJSA-N -1 1 265.328 3.230 20 0 CGADMM O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccc([O-])cc1F ZINC000163812547 346181588 /nfs/dbraw/zinc/18/15/88/346181588.db2.gz WCSULLLFAWXONT-UHFFFAOYSA-N -1 1 289.310 3.164 20 0 CGADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@@H](C)C(C)C ZINC000584729643 346711064 /nfs/dbraw/zinc/71/10/64/346711064.db2.gz KDBMKYWYJOAKET-JTQLQIEISA-N -1 1 253.317 3.038 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H]2C=CCCCCC2)n1 ZINC000588310527 346759608 /nfs/dbraw/zinc/75/96/08/346759608.db2.gz XEAXVNRSGVHWDW-SNVBAGLBSA-N -1 1 266.366 3.177 20 0 CGADMM C[C@@H](SCc1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000594910432 347227544 /nfs/dbraw/zinc/22/75/44/347227544.db2.gz IJSOHBCPOCAGBL-SSDOTTSWSA-N -1 1 288.298 3.213 20 0 CGADMM CCS[C@@H](C(=O)Nc1cccc(F)c1[O-])C(C)C ZINC000600446868 347800175 /nfs/dbraw/zinc/80/01/75/347800175.db2.gz UZKPQZSUIMKOIU-GFCCVEGCSA-N -1 1 271.357 3.248 20 0 CGADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(F)ccc1[O-] ZINC000128640387 187381476 /nfs/dbraw/zinc/38/14/76/187381476.db2.gz ICUGLOOTQSTDDN-GXFFZTMASA-N -1 1 265.328 3.182 20 0 CGADMM O=C(CCC(=O)c1ccccc1)Nc1c([O-])cccc1F ZINC000605436884 348155015 /nfs/dbraw/zinc/15/50/15/348155015.db2.gz NIGAFHYWUAMZIP-UHFFFAOYSA-N -1 1 287.290 3.133 20 0 CGADMM Cc1noc(Cl)c1CCC(=O)Nc1c([O-])cccc1F ZINC000605440209 348155783 /nfs/dbraw/zinc/15/57/83/348155783.db2.gz MRSFRXRHWFJCQA-UHFFFAOYSA-N -1 1 298.701 3.052 20 0 CGADMM Cc1ccc(CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000605437864 348155916 /nfs/dbraw/zinc/15/59/16/348155916.db2.gz QHHHUJPHMVTGFL-UHFFFAOYSA-N -1 1 259.280 3.021 20 0 CGADMM COc1ccc(CCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000605440582 348156056 /nfs/dbraw/zinc/15/60/56/348156056.db2.gz WGZJRUWQXXJYED-UHFFFAOYSA-N -1 1 289.306 3.111 20 0 CGADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1c([O-])cccc1F ZINC000608366234 348301620 /nfs/dbraw/zinc/30/16/20/348301620.db2.gz PQKHNMFDFLIRSR-MFKMUULPSA-N -1 1 281.327 3.065 20 0 CGADMM CO[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000612759342 348544613 /nfs/dbraw/zinc/54/46/13/348544613.db2.gz JRVREFUYVWIFEZ-ZDUSSCGKSA-N -1 1 283.755 3.189 20 0 CGADMM CC1(C)CC[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000612760356 348544654 /nfs/dbraw/zinc/54/46/54/348544654.db2.gz VDJLWLPYIJCWLR-SECBINFHSA-N -1 1 253.729 3.420 20 0 CGADMM CC[C@]1(C)CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000612319382 348509998 /nfs/dbraw/zinc/50/99/98/348509998.db2.gz WZCKHMYLNIPLIY-QGZVFWFLSA-N -1 1 284.359 3.203 20 0 CGADMM CN(C[C@@H]1CC=CCC1)C(=O)c1ncc2ccccc2c1[O-] ZINC000613449218 348604896 /nfs/dbraw/zinc/60/48/96/348604896.db2.gz VXDCRVKJPNSSPH-CYBMUJFWSA-N -1 1 296.370 3.369 20 0 CGADMM CCCCOCCSc1nc(CCC)cc(=O)[n-]1 ZINC000614382304 348671851 /nfs/dbraw/zinc/67/18/51/348671851.db2.gz VPARUCJXFJHYBK-UHFFFAOYSA-N -1 1 270.398 3.044 20 0 CGADMM O=C(C[C@H]1C=CCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613667431 348626723 /nfs/dbraw/zinc/62/67/23/348626723.db2.gz TWTUXNJOGKPDQB-NSHDSACASA-N -1 1 283.331 3.077 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N(C1CCC1)C1CCC1 ZINC000615204752 348721790 /nfs/dbraw/zinc/72/17/90/348721790.db2.gz KDWYBMKWNHIRFL-UHFFFAOYSA-N -1 1 296.370 3.488 20 0 CGADMM C[C@H]1CC(C)(C)CN1C(=O)c1ncc2ccccc2c1[O-] ZINC000616294426 348807531 /nfs/dbraw/zinc/80/75/31/348807531.db2.gz YWRYXZZTWNYSTE-NSHDSACASA-N -1 1 284.359 3.201 20 0 CGADMM CC(C)c1ccc2c(c1)CN(C(=O)c1cncc([O-])c1)CC2 ZINC000617608179 348983647 /nfs/dbraw/zinc/98/36/47/348983647.db2.gz LYEQKZZQYLHUGB-UHFFFAOYSA-N -1 1 296.370 3.109 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CCC(C2CCC2)CC1 ZINC000617770883 349005985 /nfs/dbraw/zinc/00/59/85/349005985.db2.gz ZAVUTBXJIRPNDM-UHFFFAOYSA-N -1 1 295.329 3.323 20 0 CGADMM Cc1cnc(C(=O)N([C@@H](C)c2ccco2)C2CC2)c([O-])c1 ZINC000358616804 233167249 /nfs/dbraw/zinc/16/72/49/233167249.db2.gz NQPZBMPDMBVVAS-NSHDSACASA-N -1 1 286.331 3.054 20 0 CGADMM C[C@H]1N(C(=O)c2ccc(O)cc2[O-])c2ccccc2C1(C)C ZINC000619020057 349196250 /nfs/dbraw/zinc/19/62/50/349196250.db2.gz VEFHFOVLUOAIFC-LLVKDONJSA-N -1 1 297.354 3.424 20 0 CGADMM O=C(c1ncccc1[O-])N1CCC[C@H](C2CCCCC2)C1 ZINC000620689390 349412564 /nfs/dbraw/zinc/41/25/64/349412564.db2.gz NBPTVHXEWQXVDN-AWEZNQCLSA-N -1 1 288.391 3.220 20 0 CGADMM C[C@@H]1C[C@@H](CNC(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000271284539 191050474 /nfs/dbraw/zinc/05/04/74/191050474.db2.gz ATXLYTOHADPUNH-OLZOCXBDSA-N -1 1 299.370 3.090 20 0 CGADMM CCO[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)C(C)C ZINC000626227813 350285153 /nfs/dbraw/zinc/28/51/53/350285153.db2.gz IHCQFNVNXPPBET-GFCCVEGCSA-N -1 1 271.744 3.045 20 0 CGADMM CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380762 350686115 /nfs/dbraw/zinc/68/61/15/350686115.db2.gz XEUQATBLHLGHEQ-IUODEOHRSA-N -1 1 299.374 3.343 20 0 CGADMM CN(CC(C)(C)C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630894472 350905178 /nfs/dbraw/zinc/90/51/78/350905178.db2.gz IEQOPXDNAXLPNH-UHFFFAOYSA-N -1 1 269.772 3.093 20 0 CGADMM Cc1nc(SCC[C@@H]2CCCO2)[n-]c(=O)c1C1CC1 ZINC000631023339 350927083 /nfs/dbraw/zinc/92/70/83/350927083.db2.gz MZVQGSKDOFJXCS-NSHDSACASA-N -1 1 280.393 3.029 20 0 CGADMM CCO[C@H](CSc1nc(C)c(C2CC2)c(=O)[n-]1)C1CC1 ZINC000631023785 350927912 /nfs/dbraw/zinc/92/79/12/350927912.db2.gz XEODKKVKCHFKNL-GFCCVEGCSA-N -1 1 294.420 3.275 20 0 CGADMM [O-]c1ccc(-c2noc(C3(C(F)F)CCC3)n2)cc1F ZINC000632115607 351168601 /nfs/dbraw/zinc/16/86/01/351168601.db2.gz XTJCSJZWEJIFKI-UHFFFAOYSA-N -1 1 284.237 3.268 20 0 CGADMM CC[C@H](C)Cc1noc(-c2ccc(OC)cc2[O-])n1 ZINC000632248249 351185527 /nfs/dbraw/zinc/18/55/27/351185527.db2.gz MGYJZQFVHMOGSZ-VIFPVBQESA-N -1 1 262.309 3.039 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC(C2CCCC2)C1 ZINC000632810775 351218847 /nfs/dbraw/zinc/21/88/47/351218847.db2.gz CIXZOSHMCKZPCM-UHFFFAOYSA-N -1 1 293.794 3.237 20 0 CGADMM COc1cc(C(=O)N[C@@]23C[C@@H]2CCCC3)cc(Cl)c1[O-] ZINC000634082193 351433295 /nfs/dbraw/zinc/43/32/95/351433295.db2.gz SNTYCBJZIKFZAN-BONVTDFDSA-N -1 1 295.766 3.117 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3ccc(F)cc3F)c(=O)c2C1 ZINC000634601723 351536827 /nfs/dbraw/zinc/53/68/27/351536827.db2.gz UYXZDVOAJIBENJ-CABZTGNLSA-N -1 1 278.302 3.099 20 0 CGADMM C[C@@H]1CCc2[n-]n(CCCOc3ccccc3)c(=O)c2C1 ZINC000634603128 351537803 /nfs/dbraw/zinc/53/78/03/351537803.db2.gz PMODXHDWTSWSHC-HIFRSBDPSA-N -1 1 286.375 3.090 20 0 CGADMM Cc1cccc(Cn2[n-]c3c(c2=O)C[C@H](C)CC3)c1 ZINC000634604345 351538793 /nfs/dbraw/zinc/53/87/93/351538793.db2.gz CKKDJOPBGUYKBQ-TZMCWYRMSA-N -1 1 256.349 3.129 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3cc(F)cc(Cl)c3)c(=O)c21 ZINC000634607032 351540059 /nfs/dbraw/zinc/54/00/59/351540059.db2.gz KGRHXKLCDHCFLO-MADCSZMMSA-N -1 1 266.703 3.228 20 0 CGADMM Cc1cccc(Cl)c1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000634609046 351540545 /nfs/dbraw/zinc/54/05/45/351540545.db2.gz VAEOBVNPNFVFGG-QPUJVOFHSA-N -1 1 262.740 3.397 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3cccc(F)c3Cl)c(=O)c21 ZINC000634611356 351540975 /nfs/dbraw/zinc/54/09/75/351540975.db2.gz STNBFIPYNHZHJU-CPCISQLKSA-N -1 1 266.703 3.228 20 0 CGADMM CCc1c(C)[n-]n(-c2cccc(F)c2Cl)c1=O ZINC000634612350 351542611 /nfs/dbraw/zinc/54/26/11/351542611.db2.gz WHXPOPSTRKPDQZ-MRVPVSSYSA-N -1 1 254.692 3.228 20 0 CGADMM CCCCc1cc(=O)n(-c2cc(F)cc(OC)c2)[n-]1 ZINC000634618302 351545846 /nfs/dbraw/zinc/54/58/46/351545846.db2.gz MLRQUVLQPBYDKE-UHFFFAOYSA-N -1 1 264.300 3.117 20 0 CGADMM Cc1ncc([C@@H](C)NCc2cccc(C(=O)[O-])c2)s1 ZINC000635315953 351649481 /nfs/dbraw/zinc/64/94/81/351649481.db2.gz AELKTFKOSXTFNG-SECBINFHSA-N -1 1 276.361 3.001 20 0 CGADMM Cc1ccccc1NC(=O)c1c(F)ccc([O-])c1F ZINC000336472417 213341510 /nfs/dbraw/zinc/34/15/10/213341510.db2.gz DUCRXNOAVKBRAI-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1noc2c1CCCCC2 ZINC000156951648 188289749 /nfs/dbraw/zinc/28/97/49/188289749.db2.gz CRABKAQQEUEHAL-UHFFFAOYSA-N -1 1 289.335 3.055 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)c([O-])c1 ZINC000408369925 138606282 /nfs/dbraw/zinc/60/62/82/138606282.db2.gz DSBKTVPPICLQQE-CYBMUJFWSA-N -1 1 290.407 3.384 20 0 CGADMM C[C@H](Cc1ccccc1F)NC(=O)c1cc(F)ccc1[O-] ZINC000436549003 237128883 /nfs/dbraw/zinc/12/88/83/237128883.db2.gz DTCUPIRPENNAKZ-SNVBAGLBSA-N -1 1 291.297 3.031 20 0 CGADMM Cc1ccccc1-n1nccc1NC(=O)c1ccccc1[O-] ZINC000436550819 237129850 /nfs/dbraw/zinc/12/98/50/237129850.db2.gz VHGXRHOBEFNPCY-UHFFFAOYSA-N -1 1 293.326 3.139 20 0 CGADMM CO[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436589406 237136938 /nfs/dbraw/zinc/13/69/38/237136938.db2.gz KNGHHVDICUUVCJ-JKSUJKDBSA-N -1 1 299.370 3.233 20 0 CGADMM O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000436600123 237142143 /nfs/dbraw/zinc/14/21/43/237142143.db2.gz CVLVRTQCWMFOBP-SECBINFHSA-N -1 1 289.709 3.353 20 0 CGADMM Cc1cccnc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436743400 237172405 /nfs/dbraw/zinc/17/24/05/237172405.db2.gz ZWFRLIDTFIQOIJ-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM O=C(NCCSc1ccccc1)c1cc(F)ccc1[O-] ZINC000436756202 237175102 /nfs/dbraw/zinc/17/51/02/237175102.db2.gz OKVVBGQZCMCTDB-UHFFFAOYSA-N -1 1 291.347 3.053 20 0 CGADMM CC/C=C/CNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000297096182 200083599 /nfs/dbraw/zinc/08/35/99/200083599.db2.gz YMODUVXLPNZKGW-AATRIKPKSA-N -1 1 283.755 3.140 20 0 CGADMM CC(C)c1cc(C(=O)Nc2ccc(F)cc2[O-])cc(=O)[nH]1 ZINC000342150476 216240966 /nfs/dbraw/zinc/24/09/66/216240966.db2.gz GDGFOBWQBOQYNO-UHFFFAOYSA-N -1 1 290.294 3.008 20 0 CGADMM CC[C@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301528468 201049679 /nfs/dbraw/zinc/04/96/79/201049679.db2.gz KAWQBDBZFGMFRB-VIFPVBQESA-N -1 1 272.352 3.071 20 0 CGADMM CN(Cc1nc(=O)c2sccc2[n-]1)CC1=CCCCC1 ZINC000450753492 240071670 /nfs/dbraw/zinc/07/16/70/240071670.db2.gz ICNLUABJZLCOJG-UHFFFAOYSA-N -1 1 289.404 3.329 20 0 CGADMM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000451045466 240202289 /nfs/dbraw/zinc/20/22/89/240202289.db2.gz XWGUESMDCUBOQL-IUCAKERBSA-N -1 1 293.841 3.259 20 0 CGADMM CC(C)c1nc(=NC[C@H]2CCCC[C@@H]2C(F)(F)F)o[n-]1 ZINC000484829870 243321695 /nfs/dbraw/zinc/32/16/95/243321695.db2.gz PKUPSPCEWAWUBN-ZJUUUORDSA-N -1 1 291.317 3.396 20 0 CGADMM O=C([O-])C[C@H]1CCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000042163373 369202995 /nfs/dbraw/zinc/20/29/95/369202995.db2.gz HCYXZRASFNPUFX-SNVBAGLBSA-N -1 1 288.174 3.433 20 0 CGADMM O=C(C=CC1CCCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000493819883 244237503 /nfs/dbraw/zinc/23/75/03/244237503.db2.gz KERQZVCPQYPQNE-YHYXMXQVSA-N -1 1 297.358 3.467 20 0 CGADMM CC[C@@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000048418702 369349349 /nfs/dbraw/zinc/34/93/49/369349349.db2.gz GSBUPBVBWCMFJK-SNVBAGLBSA-N -1 1 277.393 3.161 20 0 CGADMM C[C@H]1CSCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000070222687 369790721 /nfs/dbraw/zinc/79/07/21/369790721.db2.gz XSRWXTYTOVIQMD-NSHDSACASA-N -1 1 287.384 3.123 20 0 CGADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1C ZINC000075913544 369921997 /nfs/dbraw/zinc/92/19/97/369921997.db2.gz QVJZYMPULRZFHW-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1C1CCC1 ZINC000102900071 370314726 /nfs/dbraw/zinc/31/47/26/370314726.db2.gz CJYCDYOIBQOJDI-CYBMUJFWSA-N -1 1 279.767 3.450 20 0 CGADMM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cncc([O-])c1 ZINC000111772405 370406378 /nfs/dbraw/zinc/40/63/78/370406378.db2.gz XFZAOGWTCAVLDS-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM Cc1ccc(NC(=O)c2cncc([O-])c2)cc1C(F)(F)F ZINC000111772055 370406873 /nfs/dbraw/zinc/40/68/73/370406873.db2.gz FHNUPWCXPWDTJI-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)C1CC1 ZINC000118301602 370612869 /nfs/dbraw/zinc/61/28/69/370612869.db2.gz SHSPNYOALCJHES-UHFFFAOYSA-N -1 1 289.784 3.031 20 0 CGADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)co1 ZINC000130563225 371042601 /nfs/dbraw/zinc/04/26/01/371042601.db2.gz DFHMFPZJDCXROJ-UHFFFAOYSA-N -1 1 251.669 3.199 20 0 CGADMM C[C@@H]1C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCC1=O ZINC000331667528 204058162 /nfs/dbraw/zinc/05/81/62/204058162.db2.gz NIVPUWJZVMUKAP-SCZZXKLOSA-N -1 1 290.294 3.054 20 0 CGADMM CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000133316842 371243331 /nfs/dbraw/zinc/24/33/31/371243331.db2.gz VMHGCKFLXRLUEA-NOZJJQNGSA-N -1 1 253.729 3.420 20 0 CGADMM CCC(CC)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000134382320 371329551 /nfs/dbraw/zinc/32/95/51/371329551.db2.gz WAEGTCIZZSQJJM-UHFFFAOYSA-N -1 1 255.745 3.212 20 0 CGADMM O=C(N[C@H]1CCCSC1)c1cc2ccccc2cc1[O-] ZINC000135647103 371441884 /nfs/dbraw/zinc/44/18/84/371441884.db2.gz VQZYHORDSBEYIH-ZDUSSCGKSA-N -1 1 287.384 3.171 20 0 CGADMM CCOC1CC(N(C)C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000290233751 371942016 /nfs/dbraw/zinc/94/20/16/371942016.db2.gz RFMFQOLPSBWDOK-UHFFFAOYSA-N -1 1 299.370 3.185 20 0 CGADMM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc([O-])cc1F ZINC000154971744 371894348 /nfs/dbraw/zinc/89/43/48/371894348.db2.gz VIASSQJJMDIFBF-UHFFFAOYSA-N -1 1 299.301 3.303 20 0 CGADMM O=C([O-])C[C@@H](NCc1ccc(Cl)o1)c1cccs1 ZINC000037509271 541864235 /nfs/dbraw/zinc/86/42/35/541864235.db2.gz TYXRIYYKAMNQGT-SECBINFHSA-N -1 1 285.752 3.300 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](C2CC2)C1 ZINC000290808134 372055416 /nfs/dbraw/zinc/05/54/16/372055416.db2.gz FVJCIYCUQIRBLQ-LLVKDONJSA-N -1 1 279.767 3.308 20 0 CGADMM Oc1cc(F)cc(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000290537955 372012939 /nfs/dbraw/zinc/01/29/39/372012939.db2.gz RASQTHXZTFZZHT-UHFFFAOYSA-N -1 1 272.323 3.091 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2c(F)ccc([O-])c2F)CC1(C)C ZINC000294116943 372586463 /nfs/dbraw/zinc/58/64/63/372586463.db2.gz ZBQPEJYHYCLWBR-CYBMUJFWSA-N -1 1 283.318 3.177 20 0 CGADMM [O-]c1ccc(F)c(C[NH2+]C[C@@H]2CC=CCC2)c1F ZINC000294302783 372644296 /nfs/dbraw/zinc/64/42/96/372644296.db2.gz PZWKINGLYRGZEX-SNVBAGLBSA-N -1 1 253.292 3.116 20 0 CGADMM CC(C)C[C@@]1(C)CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000295674153 372870781 /nfs/dbraw/zinc/87/07/81/372870781.db2.gz HMXSEKRGTUCXRF-QGZVFWFLSA-N -1 1 289.375 3.002 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@H](C)[C@@H](C)O1 ZINC000438420042 372953788 /nfs/dbraw/zinc/95/37/88/372953788.db2.gz VQKBDVGXRVKLJI-JHJVBQTASA-N -1 1 299.370 3.183 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000148890924 296195054 /nfs/dbraw/zinc/19/50/54/296195054.db2.gz MRVYALUSYQHHQU-GJZGRUSLSA-N -1 1 281.355 3.418 20 0 CGADMM Cc1ccc(F)c(CN(C)C(=O)c2ccc([O-])cc2F)c1 ZINC000444450686 373190615 /nfs/dbraw/zinc/19/06/15/373190615.db2.gz ZZBDHTVHUWYWNK-UHFFFAOYSA-N -1 1 291.297 3.251 20 0 CGADMM Cc1nc(-c2ccc(NCC3CCC3)nc2)[n-]c(=O)c1C ZINC000301390076 373769823 /nfs/dbraw/zinc/76/98/23/373769823.db2.gz ZZIMGTUZDGZQCA-UHFFFAOYSA-N -1 1 284.363 3.073 20 0 CGADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])c(C)c1O ZINC000179824237 373921794 /nfs/dbraw/zinc/92/17/94/373921794.db2.gz VUFKTFVFORCCIS-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM O=C(Nc1cc(F)c(F)cc1F)c1ccc([O-])cc1F ZINC000181954174 374196704 /nfs/dbraw/zinc/19/67/04/374196704.db2.gz HKYMTGBQQACEHV-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c([O-])c1 ZINC000329613193 374415211 /nfs/dbraw/zinc/41/52/11/374415211.db2.gz DUURWFACVUFHJN-QGZVFWFLSA-N -1 1 286.375 3.058 20 0 CGADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000184030523 374483346 /nfs/dbraw/zinc/48/33/46/374483346.db2.gz AGMUODWUNNTEDM-UHFFFAOYSA-N -1 1 293.413 3.350 20 0 CGADMM COc1cc(C)c(NC(=O)c2ccccc2[O-])cc1F ZINC000184185735 374502017 /nfs/dbraw/zinc/50/20/17/374502017.db2.gz DAFWGIUSOZZEGV-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc2ccccc2[nH]1 ZINC000089493321 541953169 /nfs/dbraw/zinc/95/31/69/541953169.db2.gz BQSCDNHBKZRKAJ-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM Cc1cccc2c1CC(C)(C)N(C(=O)c1cncc([O-])c1)C2 ZINC000332541270 374578977 /nfs/dbraw/zinc/57/89/77/374578977.db2.gz KYXUZTBFCYNLGL-UHFFFAOYSA-N -1 1 296.370 3.073 20 0 CGADMM CCC[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)CCO1 ZINC000456777712 374619869 /nfs/dbraw/zinc/61/98/69/374619869.db2.gz GLPRPAKOPOYLRI-UWVGGRQHSA-N -1 1 299.317 3.204 20 0 CGADMM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456780284 374622170 /nfs/dbraw/zinc/62/21/70/374622170.db2.gz IQYVUCMANRPVGN-SFYZADRCSA-N -1 1 257.280 3.291 20 0 CGADMM COC1CCC(NC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000458038009 374672073 /nfs/dbraw/zinc/67/20/73/374672073.db2.gz IQAPMHCCGZJTRQ-UHFFFAOYSA-N -1 1 299.370 3.233 20 0 CGADMM C[C@@H](c1ccc(F)cc1)S(=O)(=O)c1ccc([O-])cc1 ZINC000334366588 374688819 /nfs/dbraw/zinc/68/88/19/374688819.db2.gz JFSCQLAXXZHDBI-JTQLQIEISA-N -1 1 280.320 3.066 20 0 CGADMM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccoc1 ZINC000334738618 375020892 /nfs/dbraw/zinc/02/08/92/375020892.db2.gz LEAVPGYIZVSLSL-UHFFFAOYSA-N -1 1 292.143 3.387 20 0 CGADMM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000187458797 375025243 /nfs/dbraw/zinc/02/52/43/375025243.db2.gz USVHIHPCEHAJND-SKDRFNHKSA-N -1 1 267.756 3.306 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H](C)c2ccc(F)cc2F)n1 ZINC000187587970 375049666 /nfs/dbraw/zinc/04/96/66/375049666.db2.gz NLZLOFNKHAAAOK-ZETCQYMHSA-N -1 1 298.314 3.328 20 0 CGADMM CCc1noc(C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000335105198 375134373 /nfs/dbraw/zinc/13/43/73/375134373.db2.gz YUAPHRAEEBMOQG-UHFFFAOYSA-N -1 1 280.711 3.157 20 0 CGADMM C[C@H]1CCN(Cc2ccc(Cl)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000335423445 375281711 /nfs/dbraw/zinc/28/17/11/375281711.db2.gz KAFGPLNHOJHYEQ-ONGXEEELSA-N -1 1 285.746 3.022 20 0 CGADMM Cc1cc(F)c(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000335444049 375298171 /nfs/dbraw/zinc/29/81/71/375298171.db2.gz QGTARYWNWUQQCT-QWRGUYRKSA-N -1 1 299.773 3.330 20 0 CGADMM Cc1cc(F)c(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000335444047 375298336 /nfs/dbraw/zinc/29/83/36/375298336.db2.gz QGTARYWNWUQQCT-GHMZBOCLSA-N -1 1 299.773 3.330 20 0 CGADMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000097904193 541995344 /nfs/dbraw/zinc/99/53/44/541995344.db2.gz FPQRCRUGXHAOFE-LBPRGKRZSA-N -1 1 297.345 3.288 20 0 CGADMM CC[C@]1(C)CN(C(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000189328997 375369109 /nfs/dbraw/zinc/36/91/09/375369109.db2.gz QGQHILZJPDWRAD-GOSISDBHSA-N -1 1 299.370 3.187 20 0 CGADMM CCOc1cc(C(=O)N2[C@H](C)C[C@@H]2C)cc(Cl)c1[O-] ZINC000335839792 375472937 /nfs/dbraw/zinc/47/29/37/375472937.db2.gz FFGPGLQJMWHFMU-DTORHVGOSA-N -1 1 283.755 3.067 20 0 CGADMM Cc1cnccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000190982492 375558919 /nfs/dbraw/zinc/55/89/19/375558919.db2.gz BJAZGRWONSTGCE-UHFFFAOYSA-N -1 1 277.711 3.393 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CCSC3)n2)c(Cl)c1 ZINC000336179552 375753083 /nfs/dbraw/zinc/75/30/83/375753083.db2.gz QWZUXBMLONVZEM-SSDOTTSWSA-N -1 1 282.752 3.316 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccoc1C1CC1 ZINC000336575303 375844455 /nfs/dbraw/zinc/84/44/55/375844455.db2.gz RWGZWEUWYFVXBT-UHFFFAOYSA-N -1 1 261.252 3.254 20 0 CGADMM COc1ncccc1NCc1cccc([O-])c1Cl ZINC000336894684 376022830 /nfs/dbraw/zinc/02/28/30/376022830.db2.gz MABYOVLIPDJMFD-UHFFFAOYSA-N -1 1 264.712 3.061 20 0 CGADMM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1ccccc1[O-] ZINC000538752458 376267869 /nfs/dbraw/zinc/26/78/69/376267869.db2.gz MPBXLILSYZRFGN-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM O=C(NCCc1ccc(Cl)s1)c1cc(F)ccc1[O-] ZINC000227117652 376382536 /nfs/dbraw/zinc/38/25/36/376382536.db2.gz HRHWUGAHUWSTAU-UHFFFAOYSA-N -1 1 299.754 3.219 20 0 CGADMM CC(C)c1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC000228170278 376430834 /nfs/dbraw/zinc/43/08/34/376430834.db2.gz RBGHRMKBTWWOEK-UHFFFAOYSA-N -1 1 273.332 3.391 20 0 CGADMM O=c1nc(CN2CC[C@@H](CC3CC3)C2)[n-]c2ccsc21 ZINC000339685551 376809840 /nfs/dbraw/zinc/80/98/40/376809840.db2.gz DRIGGMDVRKCBIB-NSHDSACASA-N -1 1 289.404 3.019 20 0 CGADMM CCO[C@H](CC)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000157368661 542133338 /nfs/dbraw/zinc/13/33/38/542133338.db2.gz USHDOKDLDPFSIA-LLVKDONJSA-N -1 1 266.272 3.069 20 0 CGADMM Cc1cccc(CN(CC(C)C)C(=O)c2cncc([O-])c2)c1 ZINC000339828543 376863685 /nfs/dbraw/zinc/86/36/85/376863685.db2.gz MECUUDOGKFJNKG-UHFFFAOYSA-N -1 1 298.386 3.394 20 0 CGADMM C[C@H](COc1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340328609 377004399 /nfs/dbraw/zinc/00/43/99/377004399.db2.gz IOPRYTGLJGCDRL-LLVKDONJSA-N -1 1 289.306 3.185 20 0 CGADMM [O-]c1c(-c2nc(-c3ncccn3)no2)ccc2ccccc21 ZINC000315492626 249099267 /nfs/dbraw/zinc/09/92/67/249099267.db2.gz CLXDWGOTQJLQAE-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM CCOc1ccc(CN(C)Cc2occc2C(=O)[O-])cc1 ZINC000573734233 377568696 /nfs/dbraw/zinc/56/86/96/377568696.db2.gz TWJZYFSDGYKPOG-UHFFFAOYSA-N -1 1 289.331 3.009 20 0 CGADMM CCc1nc(SCc2ccc(C)nc2C)[n-]c(=O)c1C ZINC000574771119 377708399 /nfs/dbraw/zinc/70/83/99/377708399.db2.gz ROUBIQOJCXRAGE-UHFFFAOYSA-N -1 1 289.404 3.357 20 0 CGADMM CCCCc1nc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)cs1 ZINC000263381657 377930414 /nfs/dbraw/zinc/93/04/14/377930414.db2.gz XJJKLYKZUREXBF-NEPJUHHUSA-N -1 1 296.436 3.028 20 0 CGADMM Cc1c(F)cccc1-c1ccc(CN(C)[C@H](C)C(=O)[O-])o1 ZINC000263441240 377937432 /nfs/dbraw/zinc/93/74/32/377937432.db2.gz WNEBGXIDQXXJOV-LLVKDONJSA-N -1 1 291.322 3.299 20 0 CGADMM C[C@H](c1ccco1)N(C)Cc1cccc(C(=O)[O-])c1 ZINC000263458919 377940063 /nfs/dbraw/zinc/94/00/63/377940063.db2.gz IDZDIQCYOYSFIS-LLVKDONJSA-N -1 1 259.305 3.171 20 0 CGADMM Cc1cccc(N(C)C(=O)c2c(F)ccc([O-])c2F)c1 ZINC000343269305 377943824 /nfs/dbraw/zinc/94/38/24/377943824.db2.gz BDRBLPLJRYQVQD-UHFFFAOYSA-N -1 1 277.270 3.255 20 0 CGADMM C[C@H](Cc1cccs1)NC(=O)c1c(F)ccc([O-])c1F ZINC000343271987 377944240 /nfs/dbraw/zinc/94/42/40/377944240.db2.gz JWKQVRMFZPLDKY-MRVPVSSYSA-N -1 1 297.326 3.093 20 0 CGADMM COc1cc(Cl)cc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000343891512 378126375 /nfs/dbraw/zinc/12/63/75/378126375.db2.gz YOJQQYZDKLRIKO-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)[C@H](C)C1 ZINC000578630152 378086712 /nfs/dbraw/zinc/08/67/12/378086712.db2.gz UAEWLPDVONBELY-FXPVBKGRSA-N -1 1 283.318 3.225 20 0 CGADMM CC(C)c1nc(CN2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)cs1 ZINC000579735106 378189403 /nfs/dbraw/zinc/18/94/03/378189403.db2.gz UXGKWBCYQAOHDF-DMDPSCGWSA-N -1 1 296.436 3.340 20 0 CGADMM C[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000345334263 378259720 /nfs/dbraw/zinc/25/97/20/378259720.db2.gz QJSJUMGDRGKTNH-IUCAKERBSA-N -1 1 253.729 3.420 20 0 CGADMM C[C@@]1([N-]S(=O)(=O)c2cc3ccccc3o2)CC=CCC1 ZINC000580822598 378261392 /nfs/dbraw/zinc/26/13/92/378261392.db2.gz YMHWUIRVOJKCHW-OAHLLOKOSA-N -1 1 291.372 3.210 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCCCC[C@@H]1c1ccco1 ZINC000176133396 296289616 /nfs/dbraw/zinc/28/96/16/296289616.db2.gz IRAAUXCNAIZJAZ-CQSZACIVSA-N -1 1 286.331 3.138 20 0 CGADMM Cc1nc(C)c(CSc2nc(C3CC3)cc(=O)[n-]2)s1 ZINC000277847230 379248575 /nfs/dbraw/zinc/24/85/75/379248575.db2.gz ZZWBRTBLYWWOLD-UHFFFAOYSA-N -1 1 293.417 3.425 20 0 CGADMM CC[C@H](SC)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278105124 379293332 /nfs/dbraw/zinc/29/33/32/379293332.db2.gz IHDZALWQSAIXQK-JTQLQIEISA-N -1 1 268.313 3.395 20 0 CGADMM O=C(Nc1ccccc1N1CCCCC1)c1cncc([O-])c1 ZINC000279120103 379412222 /nfs/dbraw/zinc/41/22/22/379412222.db2.gz AHPMCRPAHQPWLQ-UHFFFAOYSA-N -1 1 297.358 3.030 20 0 CGADMM CCC(CC)CN(CC)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000349847829 379422089 /nfs/dbraw/zinc/42/20/89/379422089.db2.gz QFMRXAPZXJKWIE-UHFFFAOYSA-N -1 1 295.452 3.038 20 0 CGADMM C[C@@H]1CC[C@]2(CCN(C(=O)c3c(F)ccc([O-])c3F)C2)C1 ZINC000377825549 379746052 /nfs/dbraw/zinc/74/60/52/379746052.db2.gz CRIHHZLNSAZGHO-HWPZZCPQSA-N -1 1 295.329 3.323 20 0 CGADMM CCCN(CC1CC1)C(=O)N=c1[n-]sc2ccccc21 ZINC000640341589 379770327 /nfs/dbraw/zinc/77/03/27/379770327.db2.gz HHSMUKCCAZTUKP-UHFFFAOYSA-N -1 1 289.404 3.372 20 0 CGADMM CC[C@@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)CCS1 ZINC000381701250 379868924 /nfs/dbraw/zinc/86/89/24/379868924.db2.gz OUQBESPRSWKIHE-LLVKDONJSA-N -1 1 299.823 3.366 20 0 CGADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCCCO1 ZINC000379300828 379861806 /nfs/dbraw/zinc/86/18/06/379861806.db2.gz PJFYIKKWPQCVHX-LRDDRELGSA-N -1 1 299.370 3.233 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCCC(F)(F)C1 ZINC000282302251 379893057 /nfs/dbraw/zinc/89/30/57/379893057.db2.gz SMMXCMUAIJXCDI-ZETCQYMHSA-N -1 1 290.697 3.205 20 0 CGADMM COC(C)(C)CN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000404365751 379980763 /nfs/dbraw/zinc/98/07/63/379980763.db2.gz LZSPKFVDQZCFAW-UHFFFAOYSA-N -1 1 287.359 3.042 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@@H]2C2CCCCC2)c([O-])c1 ZINC000408224671 379999965 /nfs/dbraw/zinc/99/99/65/379999965.db2.gz PZSGSOXAVPGNBT-CQSZACIVSA-N -1 1 288.391 3.281 20 0 CGADMM CC[C@@H](C)[C@H](NC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000408514861 380015103 /nfs/dbraw/zinc/01/51/03/380015103.db2.gz SYYQMNPQVFPJON-HQJQHLMTSA-N -1 1 293.260 3.238 20 0 CGADMM O=C(CCCC1CC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000643150327 380222121 /nfs/dbraw/zinc/22/21/21/380222121.db2.gz CCOZXNHWZJSRGM-UHFFFAOYSA-N -1 1 285.347 3.301 20 0 CGADMM CC(C)C[C@H](N)c1noc(-c2ccc([O-])c(Cl)c2)n1 ZINC000414616823 380337214 /nfs/dbraw/zinc/33/72/14/380337214.db2.gz KGNZPPUTPCHPMK-JTQLQIEISA-N -1 1 281.743 3.142 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000194767342 542278031 /nfs/dbraw/zinc/27/80/31/542278031.db2.gz PPYKQWRQYADUKY-UHFFFAOYSA-N -1 1 275.308 3.053 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc2c(c1)CCCC2=O ZINC000645926864 380781469 /nfs/dbraw/zinc/78/14/69/380781469.db2.gz COCCKDJSJGTZRR-UHFFFAOYSA-N -1 1 299.301 3.303 20 0 CGADMM CC[C@](C)(OC)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289061514 197224912 /nfs/dbraw/zinc/22/49/12/197224912.db2.gz LPMGTAJLYQYTKO-ZDUSSCGKSA-N -1 1 282.727 3.367 20 0 CGADMM COC(C)(C)Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000288949235 197198877 /nfs/dbraw/zinc/19/88/77/197198877.db2.gz BWUSYAQGQNJGSC-UHFFFAOYSA-N -1 1 282.727 3.063 20 0 CGADMM CC1(C)CC[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)O1 ZINC000288946088 197198243 /nfs/dbraw/zinc/19/82/43/197198243.db2.gz BNDHFMIZVHMVGL-LLVKDONJSA-N -1 1 278.283 3.211 20 0 CGADMM CO[C@H]1CCCC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436589401 533228835 /nfs/dbraw/zinc/22/88/35/533228835.db2.gz KNGHHVDICUUVCJ-CVEARBPZSA-N -1 1 299.370 3.233 20 0 CGADMM CO[C@H]1CCC[C@@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000436606388 533237643 /nfs/dbraw/zinc/23/76/43/533237643.db2.gz MNDBCYVCZYGPFJ-CJNGLKHVSA-N -1 1 299.370 3.090 20 0 CGADMM CO[C@H]1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436603596 533244841 /nfs/dbraw/zinc/24/48/41/533244841.db2.gz MANGIOCEXKMDPY-YOEHRIQHSA-N -1 1 299.370 3.090 20 0 CGADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccncc1F ZINC000436691042 533287948 /nfs/dbraw/zinc/28/79/48/533287948.db2.gz WWNNJMWTLVLALK-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM Cc1ccc(C)c(CN(C)C(=O)c2ccc([O-])cc2F)c1 ZINC000436873217 533664065 /nfs/dbraw/zinc/66/40/65/533664065.db2.gz OWHOLYPABUGRQT-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM C[C@@H]1CN(Cc2c(F)cccc2Cl)CC[C@H]1C(=O)[O-] ZINC000388629241 542605808 /nfs/dbraw/zinc/60/58/08/542605808.db2.gz KENVCWWMXRKMDT-NXEZZACHSA-N -1 1 285.746 3.022 20 0 CGADMM CN(Cc1ccoc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000048482265 392001549 /nfs/dbraw/zinc/00/15/49/392001549.db2.gz SKSZEMNWUPBGOJ-UHFFFAOYSA-N -1 1 281.311 3.411 20 0 CGADMM COc1ccc(CC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000067738945 392159493 /nfs/dbraw/zinc/15/94/93/392159493.db2.gz NFZVRJHWPVLHKN-UHFFFAOYSA-N -1 1 291.734 3.235 20 0 CGADMM CC(C)CCCCC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000457489709 392668449 /nfs/dbraw/zinc/66/84/49/392668449.db2.gz SOYSLSCSMBQFPG-UHFFFAOYSA-N -1 1 287.367 3.022 20 0 CGADMM COC[C@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000307773493 392655166 /nfs/dbraw/zinc/65/51/66/392655166.db2.gz LGXQTULZKMTGRK-OAHLLOKOSA-N -1 1 299.370 3.187 20 0 CGADMM O=C([O-])[C@@H]1CC[C@H](Nc2ccnc3cc(F)ccc32)C1 ZINC000647459507 392727382 /nfs/dbraw/zinc/72/73/82/392727382.db2.gz ILTWWVZDGAPGMI-KOLCDFICSA-N -1 1 274.295 3.039 20 0 CGADMM C[C@@H](CC(F)(F)F)C(=O)Nc1ccc([O-])c(F)c1F ZINC000457880085 392791443 /nfs/dbraw/zinc/79/14/43/392791443.db2.gz QKJLYYPQPXNYLL-YFKPBYRVSA-N -1 1 283.196 3.197 20 0 CGADMM CCC[C@]1(NC(=O)c2ccc3ccccc3c2[O-])CCOC1 ZINC000393500534 392933707 /nfs/dbraw/zinc/93/37/07/392933707.db2.gz ZITMYOFNPFYYKB-SFHVURJKSA-N -1 1 299.370 3.234 20 0 CGADMM C[C@H]1CCN(Cc2cccc([O-])c2Cl)C[C@@H]1F ZINC000646153374 393230714 /nfs/dbraw/zinc/23/07/14/393230714.db2.gz PUAGHENXKMTBGD-ONGXEEELSA-N -1 1 257.736 3.226 20 0 CGADMM [O-]c1cccc(CN2CCC[C@H](OC(F)F)C2)c1Cl ZINC000646156444 393232632 /nfs/dbraw/zinc/23/26/32/393232632.db2.gz VGZBWKMGNQZLHT-JTQLQIEISA-N -1 1 291.725 3.249 20 0 CGADMM CC1(CC(F)F)CN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000649021032 393323012 /nfs/dbraw/zinc/32/30/12/393323012.db2.gz NOCDJMNLSDCQIG-UHFFFAOYSA-N -1 1 289.709 3.163 20 0 CGADMM O=c1cc(C(F)F)nc(SCC2=CCCC2)[n-]1 ZINC000647121903 393344004 /nfs/dbraw/zinc/34/40/04/393344004.db2.gz WQIIUDZVAPISQU-UHFFFAOYSA-N -1 1 258.293 3.322 20 0 CGADMM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(F)cc1[O-] ZINC000356400967 393435713 /nfs/dbraw/zinc/43/57/13/393435713.db2.gz VZAOBCHTVVUCFF-UHFFFAOYSA-N -1 1 292.310 3.279 20 0 CGADMM Cc1cnc([C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)cn1 ZINC000488301028 393483172 /nfs/dbraw/zinc/48/31/72/393483172.db2.gz VBRYPPALYAOXIH-VIFPVBQESA-N -1 1 288.376 3.011 20 0 CGADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000488232354 393471410 /nfs/dbraw/zinc/47/14/10/393471410.db2.gz OSWCTTOHCQQPAI-UHFFFAOYSA-N -1 1 297.326 3.328 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2cnc(C)cn2)n1 ZINC000488275433 393477792 /nfs/dbraw/zinc/47/77/92/393477792.db2.gz XBARZVGKFZULBJ-SNVBAGLBSA-N -1 1 290.392 3.086 20 0 CGADMM COCCC1(c2noc(-c3ccc([O-])cc3F)n2)CCC1 ZINC000420515334 393494986 /nfs/dbraw/zinc/49/49/86/393494986.db2.gz RNYKDZSNVSZJPZ-UHFFFAOYSA-N -1 1 292.310 3.040 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccccc2SC)n1 ZINC000432666272 393625785 /nfs/dbraw/zinc/62/57/85/393625785.db2.gz JPOWACLCRACSNO-UHFFFAOYSA-N -1 1 294.401 3.211 20 0 CGADMM COc1cc(C(=O)N2CCCC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000443123654 393745179 /nfs/dbraw/zinc/74/51/79/393745179.db2.gz NCMWOPBUIWHDCH-SNVBAGLBSA-N -1 1 297.782 3.316 20 0 CGADMM O=C1CCC(c2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000445448227 393795478 /nfs/dbraw/zinc/79/54/78/393795478.db2.gz RFVJLHJVMIFBNO-UHFFFAOYSA-N -1 1 292.722 3.322 20 0 CGADMM CC1(c2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000445450296 393795631 /nfs/dbraw/zinc/79/56/31/393795631.db2.gz XRRZUFBHEBHDEU-UHFFFAOYSA-N -1 1 250.685 3.147 20 0 CGADMM CC[C@]1(C)C[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000445464904 393797917 /nfs/dbraw/zinc/79/79/17/393797917.db2.gz WQVFBMGCESLBOS-IINYFYTJSA-N -1 1 262.284 3.485 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C/c3ccc[nH]3)n2)cc1F ZINC000445479107 393798664 /nfs/dbraw/zinc/79/86/64/393798664.db2.gz IXYIPNNMCYYAIV-GQCTYLIASA-N -1 1 271.251 3.080 20 0 CGADMM CC(C)[C@@H](C)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445481471 393799086 /nfs/dbraw/zinc/79/90/86/393799086.db2.gz PJABPCZIHJNERT-VIFPVBQESA-N -1 1 264.300 3.416 20 0 CGADMM CCC(CC)c1nnc([N-]C(=O)c2ncccc2F)s1 ZINC000666969088 542831099 /nfs/dbraw/zinc/83/10/99/542831099.db2.gz DWEVQAHKIDKXFO-UHFFFAOYSA-N -1 1 294.355 3.228 20 0 CGADMM C[C@@H](CC(C)(C)C)NC(=O)c1c(F)ccc([O-])c1F ZINC000457198046 394328902 /nfs/dbraw/zinc/32/89/02/394328902.db2.gz UGTBOSAIFHKCEG-QMMMGPOBSA-N -1 1 271.307 3.225 20 0 CGADMM CCCN(CC(F)F)C(=O)c1ncc2ccccc2c1[O-] ZINC000667673678 542913849 /nfs/dbraw/zinc/91/38/49/542913849.db2.gz JNIMYHACJRQXOZ-UHFFFAOYSA-N -1 1 294.301 3.058 20 0 CGADMM C[C@]1(C2CC2)CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000668464469 543016182 /nfs/dbraw/zinc/01/61/82/543016182.db2.gz YTDMVEDQZNBOOA-OAHLLOKOSA-N -1 1 281.783 3.047 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])[C@H]1C ZINC000669137605 543089088 /nfs/dbraw/zinc/08/90/88/543089088.db2.gz AUNZSJHRBNQHHQ-NEPJUHHUSA-N -1 1 284.359 3.201 20 0 CGADMM Cc1ccccc1[C@H](CO)[N-]c1nc(-c2ccccc2)no1 ZINC000673817501 543255370 /nfs/dbraw/zinc/25/53/70/543255370.db2.gz SRAMCOYMUFYRTA-HNNXBMFYSA-N -1 1 295.342 3.191 20 0 CGADMM O=C(NCC[C@H]1CCc2ccccc21)c1ccc([O-])c(F)c1 ZINC000650534626 397865334 /nfs/dbraw/zinc/86/53/34/397865334.db2.gz YDFLKDHLLXMBQK-CYBMUJFWSA-N -1 1 299.345 3.381 20 0 CGADMM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(F)cc2)o1 ZINC000650808117 397928086 /nfs/dbraw/zinc/92/80/86/397928086.db2.gz QYHMPMNUSXWJJV-AWEZNQCLSA-N -1 1 291.322 3.381 20 0 CGADMM CCC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccccn1 ZINC000678310294 543513636 /nfs/dbraw/zinc/51/36/36/543513636.db2.gz IKEDTGNLYXEBEG-CQSZACIVSA-N -1 1 288.322 3.198 20 0 CGADMM CCC(C)(C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000069455960 286983992 /nfs/dbraw/zinc/98/39/92/286983992.db2.gz RDDKWLWYXKORRQ-UHFFFAOYSA-N -1 1 255.745 3.306 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000074932704 165097417 /nfs/dbraw/zinc/09/74/17/165097417.db2.gz LNDSTLROVRWCNC-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM C[C@@]1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000087761610 165190136 /nfs/dbraw/zinc/19/01/36/165190136.db2.gz YWMPFYWAWVPBEI-CYBMUJFWSA-N -1 1 288.174 3.290 20 0 CGADMM Cc1nc(SCc2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000005155303 170071190 /nfs/dbraw/zinc/07/11/90/170071190.db2.gz VLSXGSOWDXPDOR-UHFFFAOYSA-N -1 1 280.780 3.332 20 0 CGADMM O=C(NC1(c2cccc(F)c2)CC1)c1c([O-])cccc1F ZINC000125837424 287251730 /nfs/dbraw/zinc/25/17/30/287251730.db2.gz LXAOQUYNFDPSLT-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM Cc1ccn(-c2ccccc2NC(=O)c2ccccc2[O-])n1 ZINC000126763429 287272887 /nfs/dbraw/zinc/27/28/87/287272887.db2.gz KZZWGMWWZPTFGW-UHFFFAOYSA-N -1 1 293.326 3.139 20 0 CGADMM CCN(CCC(=O)[O-])Cc1nc(-c2cccs2)oc1C ZINC000038024522 174007502 /nfs/dbraw/zinc/00/75/02/174007502.db2.gz HRCFHXQUPFKXGK-UHFFFAOYSA-N -1 1 294.376 3.008 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2C)c(C)c1 ZINC000128756048 287317952 /nfs/dbraw/zinc/31/79/52/287317952.db2.gz RHYHDRBCKXWUPJ-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM CC1(C)CC[C@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000679811342 543661273 /nfs/dbraw/zinc/66/12/73/543661273.db2.gz BNLLOHBFLRQGDG-VIFPVBQESA-N -1 1 251.301 3.296 20 0 CGADMM Cc1cc(C)c(NC(=O)c2cc(F)ccc2[O-])cc1O ZINC000680825891 543737194 /nfs/dbraw/zinc/73/71/94/543737194.db2.gz ROSSYCNTNNBING-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM Cc1nc2cc(NC(=O)c3ccc([O-])c(F)c3)ccc2o1 ZINC000681015013 543756470 /nfs/dbraw/zinc/75/64/70/543756470.db2.gz BKFXNUQTQFUKOM-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM O=C(Nc1cccc2ncccc21)c1ccc([O-])c(F)c1 ZINC000681015825 543756769 /nfs/dbraw/zinc/75/67/69/543756769.db2.gz RTZOPPWALWFMBU-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CCCN(CC(C)C)C(=O)c1ccc([O-])c(F)c1 ZINC000681018019 543757360 /nfs/dbraw/zinc/75/73/60/543757360.db2.gz IBUVSURESXAVDE-UHFFFAOYSA-N -1 1 253.317 3.040 20 0 CGADMM O=C(NCc1cccc2cccnc21)c1ccc([O-])c(F)c1 ZINC000681032545 543758471 /nfs/dbraw/zinc/75/84/71/543758471.db2.gz AYVCRPQZTRRFLQ-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc([O-])c(F)c1 ZINC000681048354 543760367 /nfs/dbraw/zinc/76/03/67/543760367.db2.gz UVUXHLWWSFLDIR-INIZCTEOSA-N -1 1 299.345 3.282 20 0 CGADMM CC(C)C1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681051296 543761657 /nfs/dbraw/zinc/76/16/57/543761657.db2.gz YVPNPBXPLDRKFG-UHFFFAOYSA-N -1 1 265.328 3.040 20 0 CGADMM CC(C)(CNC(=O)c1ccc([O-])c(F)c1)C1CCCC1 ZINC000681058396 543762363 /nfs/dbraw/zinc/76/23/63/543762363.db2.gz OHMIHOHLMHSXMD-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM Cc1ccc2c(c1)[C@H](NC(=O)c1c([O-])cccc1F)CC2 ZINC000681229422 543775369 /nfs/dbraw/zinc/77/53/69/543775369.db2.gz KBELBEWESSHEJL-CQSZACIVSA-N -1 1 285.318 3.257 20 0 CGADMM CC1(C)CN(C(=O)c2ncccc2[O-])[C@@H]1c1ccccc1 ZINC000681716393 543804896 /nfs/dbraw/zinc/80/48/96/543804896.db2.gz PMKUBQPAYADTKB-OAHLLOKOSA-N -1 1 282.343 3.011 20 0 CGADMM CCc1nc(C(=O)[N-]c2c(C)noc2-c2ccccc2)co1 ZINC000130851828 287364932 /nfs/dbraw/zinc/36/49/32/287364932.db2.gz ONLWATPIZSCSJE-UHFFFAOYSA-N -1 1 297.314 3.453 20 0 CGADMM CCc1cc(=O)[n-]c(SC2Cc3ccccc3C2)n1 ZINC000683454541 543915784 /nfs/dbraw/zinc/91/57/84/543915784.db2.gz OFFKMBUVWXZMQU-UHFFFAOYSA-N -1 1 272.373 3.004 20 0 CGADMM [O-]c1ccc(-c2nc(Cc3ccccc3)no2)c(F)c1 ZINC000131899706 287392320 /nfs/dbraw/zinc/39/23/20/287392320.db2.gz XBGXZGZLVRIXMK-UHFFFAOYSA-N -1 1 270.263 3.172 20 0 CGADMM CCCC[C@H](CC)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000684162630 543970436 /nfs/dbraw/zinc/97/04/36/543970436.db2.gz APUAEBJLIFKTRD-NSHDSACASA-N -1 1 287.367 3.022 20 0 CGADMM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc([O-])c(F)c1 ZINC000684779115 544029187 /nfs/dbraw/zinc/02/91/87/544029187.db2.gz JGUVWPCHAIKDBW-HDJSIYSDSA-N -1 1 285.318 3.207 20 0 CGADMM C[C@H](C1CC1)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000135834843 287476519 /nfs/dbraw/zinc/47/65/19/287476519.db2.gz JZYQZTIPCHUBRD-MRVPVSSYSA-N -1 1 298.180 3.025 20 0 CGADMM CCC[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000137773575 287490898 /nfs/dbraw/zinc/49/08/98/287490898.db2.gz QHYXLYILCXVWDC-LLVKDONJSA-N -1 1 265.328 3.184 20 0 CGADMM CC(C)N(CCC(=O)[O-])Cc1csc(-c2ccoc2)n1 ZINC000652478782 418973335 /nfs/dbraw/zinc/97/33/35/418973335.db2.gz XPKABNZZZBTPSO-UHFFFAOYSA-N -1 1 294.376 3.088 20 0 CGADMM CCN(CCC(F)(F)F)Cc1ccsc1C(=O)[O-] ZINC000652405518 418963851 /nfs/dbraw/zinc/96/38/51/418963851.db2.gz INNJEZJYAHGMLE-UHFFFAOYSA-N -1 1 281.299 3.221 20 0 CGADMM CCOc1cc(C(=O)NC2(C)CC=CC2)cc(Cl)c1[O-] ZINC000655227216 419031592 /nfs/dbraw/zinc/03/15/92/419031592.db2.gz BQODLDUZYCJFFS-UHFFFAOYSA-N -1 1 295.766 3.283 20 0 CGADMM CC(C)[C@H]([N-]S(=O)(=O)c1sccc1Cl)C1CC1 ZINC000660044255 419067939 /nfs/dbraw/zinc/06/79/39/419067939.db2.gz OCWHAFMIUMRBQW-JTQLQIEISA-N -1 1 293.841 3.114 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCSC2(CCC2)CC1 ZINC000665635502 419142523 /nfs/dbraw/zinc/14/25/23/419142523.db2.gz QMKGMZHVCAKLFX-UHFFFAOYSA-N -1 1 295.379 3.033 20 0 CGADMM CCc1ccc(CN[C@H](C(=O)[O-])[C@H](C)c2ccccc2)o1 ZINC000656569405 419184468 /nfs/dbraw/zinc/18/44/68/419184468.db2.gz PSVSZZACACEYEZ-WBMJQRKESA-N -1 1 287.359 3.189 20 0 CGADMM COC(C)(C)c1noc(-c2cc(SC)ccc2[O-])n1 ZINC000663306748 419545438 /nfs/dbraw/zinc/54/54/38/419545438.db2.gz XGHURWGGUCGOFG-UHFFFAOYSA-N -1 1 280.349 3.046 20 0 CGADMM O=C(NC[C@@H]1CCCCC1(F)F)c1cc(F)ccc1[O-] ZINC000391073332 262379521 /nfs/dbraw/zinc/37/95/21/262379521.db2.gz IVIYHTPBECCLOH-VIFPVBQESA-N -1 1 287.281 3.087 20 0 CGADMM O=C(NCC1CCCC1)c1cc2ccccc2cc1[O-] ZINC000035248518 270027551 /nfs/dbraw/zinc/02/75/51/270027551.db2.gz WNRIQZGEUQVHIR-UHFFFAOYSA-N -1 1 269.344 3.465 20 0 CGADMM O=C(Nc1cccc(C(F)F)c1)c1ccc(O)cc1[O-] ZINC000195427141 270084789 /nfs/dbraw/zinc/08/47/89/270084789.db2.gz JGGUFZGNTVYMTH-UHFFFAOYSA-N -1 1 279.242 3.288 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2F)CC1 ZINC000227312366 270086935 /nfs/dbraw/zinc/08/69/35/270086935.db2.gz IQIAMFXBAANGQP-GHMZBOCLSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1ccnc(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000328130255 270094900 /nfs/dbraw/zinc/09/49/00/270094900.db2.gz WEXZOPGKEKFBHR-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM CC(C)(CCNC(=O)c1c([O-])cccc1F)C1CC1 ZINC000328561648 270095383 /nfs/dbraw/zinc/09/53/83/270095383.db2.gz GVJSLPBFRXZMCF-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM CCC(CC)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000395268608 288007522 /nfs/dbraw/zinc/00/75/22/288007522.db2.gz PFKXVWQCVRNFNJ-UHFFFAOYSA-N -1 1 250.273 3.485 20 0 CGADMM CC(C)C[C@H]1COCCN1Cc1cccc([O-])c1Cl ZINC000508516287 279220469 /nfs/dbraw/zinc/22/04/69/279220469.db2.gz LQZNFEQRGPKIPN-ZDUSSCGKSA-N -1 1 283.799 3.293 20 0 CGADMM CC[C@@H]1CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000293858955 280315068 /nfs/dbraw/zinc/31/50/68/280315068.db2.gz CHVSNIDESPHFOX-GFCCVEGCSA-N -1 1 255.317 3.170 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCCO1 ZINC000529538845 288260610 /nfs/dbraw/zinc/26/06/10/288260610.db2.gz LITVBVPKBWTTBN-ZDUSSCGKSA-N -1 1 291.734 3.316 20 0 CGADMM O=C(NCC[C@H]1CCCOC1)c1ccc2ccccc2c1[O-] ZINC000529601819 288270764 /nfs/dbraw/zinc/27/07/64/288270764.db2.gz OOLYOGCVWKRRHR-CYBMUJFWSA-N -1 1 299.370 3.092 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1C[C@@]12CCc1ccccc12 ZINC000530004614 288281071 /nfs/dbraw/zinc/28/10/71/288281071.db2.gz FDPDCHFZOOTGIQ-FZKQIMNGSA-N -1 1 297.329 3.374 20 0 CGADMM C[C@H]1CC[C@H](C(=O)Nc2cccc(F)c2[O-])CC1 ZINC000530006164 288281637 /nfs/dbraw/zinc/28/16/37/288281637.db2.gz QKMJPXSFHNMNJP-MGCOHNPYSA-N -1 1 251.301 3.296 20 0 CGADMM CC[C@H](CC(F)F)C(=O)Nc1cccc(F)c1[O-] ZINC000530006170 288281839 /nfs/dbraw/zinc/28/18/39/288281839.db2.gz QOOQRIGGIWFTFR-SSDOTTSWSA-N -1 1 261.243 3.151 20 0 CGADMM Cc1cccnc1-c1nc2cc(Cl)ccc2c(=O)[n-]1 ZINC000339568011 281404603 /nfs/dbraw/zinc/40/46/03/281404603.db2.gz IZXKVNQQKGNCLK-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM Cc1nc(S[C@@H](C)C(=O)c2ccccc2)[n-]c(=O)c1C ZINC000537412974 288528896 /nfs/dbraw/zinc/52/88/96/288528896.db2.gz ATTVKOWBIBSPBY-NSHDSACASA-N -1 1 288.372 3.163 20 0 CGADMM C[C@H]1CC[C@@H](Sc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000580100233 327698790 /nfs/dbraw/zinc/69/87/90/327698790.db2.gz RVHDZMQEPHVDJN-NKWVEPMBSA-N -1 1 260.309 3.401 20 0 CGADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000568059099 322190049 /nfs/dbraw/zinc/19/00/49/322190049.db2.gz UKZDYXVBBIIIKW-ZBEGNZNMSA-N -1 1 294.395 3.220 20 0 CGADMM C[C@H]1CCC[C@H](NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000570248785 322268675 /nfs/dbraw/zinc/26/86/75/322268675.db2.gz QUBYSCKJWIWODI-UWVGGRQHSA-N -1 1 283.318 3.369 20 0 CGADMM C[C@H](CN(C)Cc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000570730139 322280816 /nfs/dbraw/zinc/28/08/16/322280816.db2.gz PTUADXTVGRIEPO-SECBINFHSA-N -1 1 296.417 3.024 20 0 CGADMM O=C([O-])c1csc(CN2CCC[C@]3(CC=CCC3)C2)n1 ZINC000572889547 322360425 /nfs/dbraw/zinc/36/04/25/322360425.db2.gz RJNVQLLMOIRVTN-OAHLLOKOSA-N -1 1 292.404 3.164 20 0 CGADMM C[C@@H](c1ccc(F)cc1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000573258971 322378627 /nfs/dbraw/zinc/37/86/27/322378627.db2.gz AZFYNAJZEMRWNZ-JTQLQIEISA-N -1 1 277.295 3.310 20 0 CGADMM O=c1cc(C(F)F)nc(SCc2cnoc2C2CC2)[n-]1 ZINC000582449020 329007107 /nfs/dbraw/zinc/00/71/07/329007107.db2.gz GSBHTUUFXYTIBM-UHFFFAOYSA-N -1 1 299.302 3.278 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCCCCC(=O)C1 ZINC000577937037 335424465 /nfs/dbraw/zinc/42/44/65/335424465.db2.gz YYECXZHDHCDQHJ-SECBINFHSA-N -1 1 297.301 3.148 20 0 CGADMM COc1cc(-c2nc(CC3CC3)no2)cc(Cl)c1[O-] ZINC000350589657 335517459 /nfs/dbraw/zinc/51/74/59/335517459.db2.gz CUVZLQUACWGXRY-UHFFFAOYSA-N -1 1 280.711 3.057 20 0 CGADMM CC1(C)C[C@H](Sc2nc(C3CC3)cc(=O)[n-]2)CCO1 ZINC000581475551 336086118 /nfs/dbraw/zinc/08/61/18/336086118.db2.gz XLRMERZVDUVGEU-SNVBAGLBSA-N -1 1 280.393 3.109 20 0 CGADMM CC1(C)CC[C@@H]1NC(=O)c1cc(Br)ccc1[O-] ZINC000383503000 336110876 /nfs/dbraw/zinc/11/08/76/336110876.db2.gz ZHZCTCWFYINDGT-NSHDSACASA-N -1 1 298.180 3.073 20 0 CGADMM CC(C)(C)C(C)(C)NC(=O)c1cc(F)ccc1[O-] ZINC000386249154 336168904 /nfs/dbraw/zinc/16/89/04/336168904.db2.gz SHXBXIJYVOMCMH-UHFFFAOYSA-N -1 1 253.317 3.086 20 0 CGADMM Cc1cscc1NC(=O)c1cc(F)ccc1[O-] ZINC000387085655 336184857 /nfs/dbraw/zinc/18/48/57/336184857.db2.gz FSYUVDZQGQRYJF-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1(F)F ZINC000436816300 534007973 /nfs/dbraw/zinc/00/79/73/534007973.db2.gz DCJRIQODLRBJGQ-MRVPVSSYSA-N -1 1 289.709 3.163 20 0 CGADMM Cc1ccc(CN[C@H](C(=O)[O-])C2(C)CCCCC2)o1 ZINC000426723122 534085983 /nfs/dbraw/zinc/08/59/83/534085983.db2.gz XYCMHDFXVFNSTE-CYBMUJFWSA-N -1 1 265.353 3.101 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)c3ccsc3)[nH][n-]2)s1 ZINC000354795352 534165637 /nfs/dbraw/zinc/16/56/37/534165637.db2.gz LNDVZUPFMXKHHD-UHFFFAOYSA-N -1 1 289.385 3.182 20 0 CGADMM CC(=O)CC(C)(C)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436871228 526406791 /nfs/dbraw/zinc/40/67/91/526406791.db2.gz GRPVJPXXTJNQPR-UHFFFAOYSA-N -1 1 292.310 3.129 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1Cc1ccccc1 ZINC000093910689 526623569 /nfs/dbraw/zinc/62/35/69/526623569.db2.gz JAPBOAIOXVYIIJ-HNNXBMFYSA-N -1 1 299.345 3.379 20 0 CGADMM CCOc1cc(C(=O)N2CCC[C@H]2CC)cc(Cl)c1[O-] ZINC000358137603 528213017 /nfs/dbraw/zinc/21/30/17/528213017.db2.gz ZDJUTTQSPRWEDI-LLVKDONJSA-N -1 1 297.782 3.459 20 0 CGADMM CCN(CC1CC1)C(=O)c1ccc(Br)c([O-])c1 ZINC000156243129 528329209 /nfs/dbraw/zinc/32/92/09/528329209.db2.gz PGSMWVSOODMJGV-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM CC(C)[C@@H]1C[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436879345 528802614 /nfs/dbraw/zinc/80/26/14/528802614.db2.gz MHEGCDDUXZRGOI-WDEREUQCSA-N -1 1 262.284 3.341 20 0 CGADMM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000451305951 536076351 /nfs/dbraw/zinc/07/63/51/536076351.db2.gz LUSURRYPXPKPKC-WPRPVWTQSA-N -1 1 293.841 3.259 20 0 CGADMM C[C@H](c1ccc(F)c(F)c1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739177917 572508532 /nfs/dbraw/zinc/50/85/32/572508532.db2.gz QHWWPOMZUAVAGO-GPCCPHFNSA-N -1 1 298.333 3.004 20 0 CGADMM O=C(OCc1cccnc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000733489176 572581141 /nfs/dbraw/zinc/58/11/41/572581141.db2.gz FNLKNAKHPFCULZ-UHFFFAOYSA-N -1 1 298.125 3.451 20 0 CGADMM CC(C)(C)CCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735601839 572732807 /nfs/dbraw/zinc/73/28/07/572732807.db2.gz FLHDJTOMHLIVOB-UHFFFAOYSA-N -1 1 294.790 3.153 20 0 CGADMM CC(C)(C)CCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735601839 572732809 /nfs/dbraw/zinc/73/28/09/572732809.db2.gz FLHDJTOMHLIVOB-UHFFFAOYSA-N -1 1 294.790 3.153 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2CCCCC2)c1 ZINC000744475206 572756711 /nfs/dbraw/zinc/75/67/11/572756711.db2.gz ZFHAEHGXKISPLI-UHFFFAOYSA-N -1 1 290.359 3.261 20 0 CGADMM CC(C)CCn1cccc1CNCc1ccc(C(=O)[O-])o1 ZINC000736438583 572791950 /nfs/dbraw/zinc/79/19/50/572791950.db2.gz USEXQCQEOXNLCW-UHFFFAOYSA-N -1 1 290.363 3.115 20 0 CGADMM CCCCCCOC(=O)c1c([O-])cc(F)cc1F ZINC000749281669 572991567 /nfs/dbraw/zinc/99/15/67/572991567.db2.gz UUKAFGCJYAGUBS-UHFFFAOYSA-N -1 1 258.264 3.408 20 0 CGADMM C[C@@H]1CN(Cc2c(Cl)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000113396807 601514803 /nfs/dbraw/zinc/51/48/03/601514803.db2.gz AITFSKLAUDSWMV-BDAKNGLRSA-N -1 1 288.174 3.146 20 0 CGADMM CCC(CC)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820893727 599528744 /nfs/dbraw/zinc/52/87/44/599528744.db2.gz UJWZYWZAMNZYRX-UHFFFAOYSA-N -1 1 296.378 3.263 20 0 CGADMM CCC(CC)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820893727 599528745 /nfs/dbraw/zinc/52/87/45/599528745.db2.gz UJWZYWZAMNZYRX-UHFFFAOYSA-N -1 1 296.378 3.263 20 0 CGADMM Cc1cccc(F)c1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000832969765 600756657 /nfs/dbraw/zinc/75/66/57/600756657.db2.gz OSFJMEVBDZFOEJ-HNNXBMFYSA-N -1 1 273.307 3.050 20 0 CGADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC000828457017 601042413 /nfs/dbraw/zinc/04/24/13/601042413.db2.gz QBIQJWPVPOLCAE-IAQYHMDHSA-N -1 1 271.316 3.171 20 0 CGADMM O=C([O-])c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c[nH]1 ZINC000833293792 601788773 /nfs/dbraw/zinc/78/87/73/601788773.db2.gz ISBHHSMRUQZVGN-UHFFFAOYSA-N -1 1 295.220 3.275 20 0 CGADMM O=C([O-])c1cc(CNCc2ccc(-c3ccccc3)o2)c[nH]1 ZINC000833297600 601831982 /nfs/dbraw/zinc/83/19/82/601831982.db2.gz JIQMRXCHZFSMKL-UHFFFAOYSA-N -1 1 296.326 3.263 20 0 CGADMM CCCc1c(C)[n-]n(-c2c(F)cc(F)cc2F)c1=O ZINC000899361769 620665723 /nfs/dbraw/zinc/66/57/23/620665723.db2.gz CMGHQMGJNCMCLE-VIFPVBQESA-N -1 1 270.254 3.243 20 0 CGADMM O=C([O-])N1CCc2cccc(CNCc3cccs3)c21 ZINC000832087097 603847841 /nfs/dbraw/zinc/84/78/41/603847841.db2.gz MUTXIASDXWCYDF-UHFFFAOYSA-N -1 1 288.372 3.078 20 0 CGADMM Cc1ccc(F)c(CN(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000234285303 604575166 /nfs/dbraw/zinc/57/51/66/604575166.db2.gz HOELLUKRPBFOQV-UHFFFAOYSA-N -1 1 287.334 3.464 20 0 CGADMM C[C@@H]1CN(Cc2cccc(Cl)c2Cl)C[C@@H]1C(=O)[O-] ZINC000086774474 604670580 /nfs/dbraw/zinc/67/05/80/604670580.db2.gz GXSOPYBQFYWEBZ-SCZZXKLOSA-N -1 1 288.174 3.146 20 0 CGADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C/C(Cl)=C\Cl)C1 ZINC000211376296 604941413 /nfs/dbraw/zinc/94/14/13/604941413.db2.gz JIJSZRDQEWSSNQ-ZFZMKPAXSA-N -1 1 280.195 3.128 20 0 CGADMM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccccc1Cl ZINC000827716805 604985368 /nfs/dbraw/zinc/98/53/68/604985368.db2.gz BCEOWEKACSCLLM-YGRLFVJLSA-N -1 1 290.750 3.212 20 0 CGADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H]1c1ccccc1 ZINC000833546472 605042941 /nfs/dbraw/zinc/04/29/41/605042941.db2.gz GOUTYPDNKNYQAI-YPMHNXCESA-N -1 1 271.316 3.486 20 0 CGADMM C/C(=C\CN[C@@H](C)c1ccccc1Br)C(=O)[O-] ZINC000379795515 605061852 /nfs/dbraw/zinc/06/18/52/605061852.db2.gz FGRUKLPPJKPDSG-PCYYEKQGSA-N -1 1 298.180 3.131 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CN[C@H](CC(C)(C)C)C(=O)[O-])o1 ZINC000833604544 605152933 /nfs/dbraw/zinc/15/29/33/605152933.db2.gz JSUCMAGOABBDJH-KGYLQXTDSA-N -1 1 279.380 3.382 20 0 CGADMM O=C([O-])Nc1ccc(CN(Cc2ccccc2)C2CC2)cn1 ZINC000834258358 605469774 /nfs/dbraw/zinc/46/97/74/605469774.db2.gz FQLCQTBMCTUPMC-UHFFFAOYSA-N -1 1 297.358 3.336 20 0 CGADMM Cc1occc1CN(C)Cc1cccc(NC(=O)[O-])c1 ZINC000833935110 605592884 /nfs/dbraw/zinc/59/28/84/605592884.db2.gz CVINSLKJWCCUGD-UHFFFAOYSA-N -1 1 274.320 3.310 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N(Cc1ccoc1)C1CC1 ZINC000889093450 617674107 /nfs/dbraw/zinc/67/41/07/617674107.db2.gz PTEIGUFNFSECFO-UHFFFAOYSA-N -1 1 291.734 3.443 20 0 CGADMM CC(C)[C@H](C)N(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900116618 620762987 /nfs/dbraw/zinc/76/29/87/620762987.db2.gz SNDZZKNALSOIET-JTQLQIEISA-N -1 1 290.338 3.196 20 0 CGADMM CC[C@@]1(C(=O)[O-])CCCN(c2ccnc(C)c2Cl)C1 ZINC000900376385 620783775 /nfs/dbraw/zinc/78/37/75/620783775.db2.gz RHOTXERVSWRYOA-CQSZACIVSA-N -1 1 282.771 3.125 20 0 CGADMM Cc1ccc([C@@H](C)NCc2ccoc2C(=O)[O-])cc1F ZINC000235221539 618745289 /nfs/dbraw/zinc/74/52/89/618745289.db2.gz YATFXUHDVUQNON-SNVBAGLBSA-N -1 1 277.295 3.276 20 0 CGADMM C[C@@H](c1cccs1)[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000235498267 618804441 /nfs/dbraw/zinc/80/44/41/618804441.db2.gz UWNWUFMPKLWMDO-JTQLQIEISA-N -1 1 276.361 3.034 20 0 CGADMM C[C@@H](c1cccs1)N(C)Cc1cccc(C(=O)[O-])n1 ZINC000235498267 618804444 /nfs/dbraw/zinc/80/44/44/618804444.db2.gz UWNWUFMPKLWMDO-JTQLQIEISA-N -1 1 276.361 3.034 20 0 CGADMM Cc1oc([N-]C(=O)c2ocnc2C(F)F)nc1C1CC1 ZINC000892529309 618847989 /nfs/dbraw/zinc/84/79/89/618847989.db2.gz XNGJSDCOKSMZNG-UHFFFAOYSA-N -1 1 283.234 3.038 20 0 CGADMM COCc1nc(N[C@@H](C)c2cc3ccccc3o2)cc(=O)[n-]1 ZINC000893409071 619167479 /nfs/dbraw/zinc/16/74/79/619167479.db2.gz RMJMLZSWHWVJCL-JTQLQIEISA-N -1 1 299.330 3.248 20 0 CGADMM Cc1occc1CN(C)C(=O)c1c([O-])cccc1Cl ZINC000049094418 619695050 /nfs/dbraw/zinc/69/50/50/619695050.db2.gz WZDNKEFIDPNGLF-UHFFFAOYSA-N -1 1 279.723 3.219 20 0 CGADMM C[C@@H]1CCCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895462928 619833894 /nfs/dbraw/zinc/83/38/94/619833894.db2.gz YFCKVYNKMWCEDI-LLVKDONJSA-N -1 1 285.343 3.266 20 0 CGADMM Cc1ccc([C@H](C)NC(=O)c2cc(F)ccc2[O-])s1 ZINC000147673873 619849295 /nfs/dbraw/zinc/84/92/95/619849295.db2.gz AMHRZFLOKVTTPH-VIFPVBQESA-N -1 1 279.336 3.392 20 0 CGADMM CC1(C)CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896737986 620053475 /nfs/dbraw/zinc/05/34/75/620053475.db2.gz HCUYFAOPVXBRCM-UHFFFAOYSA-N -1 1 285.343 3.123 20 0 CGADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2F)C1 ZINC000263043482 620287323 /nfs/dbraw/zinc/28/73/23/620287323.db2.gz JJPCRUNFIDFJSH-ONGXEEELSA-N -1 1 285.746 3.022 20 0 CGADMM CCO[N-]C(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000073083321 625429411 /nfs/dbraw/zinc/42/94/11/625429411.db2.gz ZWUYHODLOLEULE-UHFFFAOYSA-N -1 1 290.388 3.037 20 0 CGADMM Cc1cccc(CO[N-]C(=O)C[C@@H]2CCc3ccccc32)n1 ZINC000898934767 620610117 /nfs/dbraw/zinc/61/01/17/620610117.db2.gz BBHXBFXANPQAHZ-HNNXBMFYSA-N -1 1 296.370 3.058 20 0 CGADMM C[C@@H](c1ccc(-c2ccccc2)cn1)N1CCC[C@@H]1C(=O)[O-] ZINC000901454385 620887749 /nfs/dbraw/zinc/88/77/49/620887749.db2.gz SKMWEUYZMOJUGY-SUMWQHHRSA-N -1 1 296.370 3.359 20 0 CGADMM CC1CC(CSc2nc([O-])cc(=O)n2C2CCCC2)C1 ZINC000901460242 620894580 /nfs/dbraw/zinc/89/45/80/620894580.db2.gz MRVRRHFQJGMFAY-UHFFFAOYSA-N -1 1 294.420 3.202 20 0 CGADMM O=c1cc(-c2ccccc2)nc(SC[C@@H]2CCCO2)[n-]1 ZINC000901619855 620948138 /nfs/dbraw/zinc/94/81/38/620948138.db2.gz OVOIDUWMEHXRNS-LBPRGKRZSA-N -1 1 288.372 3.120 20 0 CGADMM CC[C@@H](Sc1nc(-c2ccccc2)cc(=O)[n-]1)C(C)=O ZINC000901616130 620954541 /nfs/dbraw/zinc/95/45/41/620954541.db2.gz LCMHKWPMWUWHJF-CYBMUJFWSA-N -1 1 288.372 3.309 20 0 CGADMM C[C@@H](N[C@@H](CC1CC1)C(=O)[O-])c1cc2ccccc2o1 ZINC000901788672 621027212 /nfs/dbraw/zinc/02/72/12/621027212.db2.gz DCLLUEVRDOVJBX-MFKMUULPSA-N -1 1 273.332 3.337 20 0 CGADMM O=C([O-])[C@@H]1CCCCCN1Cc1cc2cc(F)ccc2o1 ZINC000902035869 621108449 /nfs/dbraw/zinc/10/84/49/621108449.db2.gz RRZKMXCGENVGKT-AWEZNQCLSA-N -1 1 291.322 3.401 20 0 CGADMM O=C([O-])CN(Cc1cnc(C2CCC2)s1)C1CCCC1 ZINC000902038949 621109432 /nfs/dbraw/zinc/10/94/32/621109432.db2.gz VFVKFFKIEYKOLC-UHFFFAOYSA-N -1 1 294.420 3.240 20 0 CGADMM CC(C)C[C@H](NCc1cc(C(=O)[O-])no1)c1ccccc1 ZINC000902072786 621125531 /nfs/dbraw/zinc/12/55/31/621125531.db2.gz VOQKZORXYSWWFJ-AWEZNQCLSA-N -1 1 288.347 3.250 20 0 CGADMM CC(C)(CCN(Cc1ccco1)Cc1ccco1)C(=O)[O-] ZINC000902075266 621127257 /nfs/dbraw/zinc/12/72/57/621127257.db2.gz WUKMUXBYEHDWFC-UHFFFAOYSA-N -1 1 291.347 3.376 20 0 CGADMM C[C@H](CCCC(C)(C)C(=O)[O-])Nc1ccc2nn[nH]c2c1 ZINC000902096556 621147630 /nfs/dbraw/zinc/14/76/30/621147630.db2.gz SBICGHWTQABEGD-SNVBAGLBSA-N -1 1 290.367 3.039 20 0 CGADMM C[C@H](CCCC(C)(C)C(=O)[O-])Nc1ccc2n[nH]nc2c1 ZINC000902096556 621147636 /nfs/dbraw/zinc/14/76/36/621147636.db2.gz SBICGHWTQABEGD-SNVBAGLBSA-N -1 1 290.367 3.039 20 0 CGADMM Cc1cc(CN[C@@H]2CCc3cc(F)ccc32)oc1C(=O)[O-] ZINC000902173640 621185304 /nfs/dbraw/zinc/18/53/04/621185304.db2.gz WQETWQNCOJVHFA-CQSZACIVSA-N -1 1 289.306 3.202 20 0 CGADMM CCc1oc(CN[C@@H](C)c2ccsc2)cc1C(=O)[O-] ZINC000902201481 621193892 /nfs/dbraw/zinc/19/38/92/621193892.db2.gz NTLBULVJNLHZSV-VIFPVBQESA-N -1 1 279.361 3.453 20 0 CGADMM Cc1cccc(C2(NCc3cc(C(=O)[O-])co3)CCC2)c1 ZINC000902441892 621321174 /nfs/dbraw/zinc/32/11/74/621321174.db2.gz CQAJJXBARCMQMA-UHFFFAOYSA-N -1 1 285.343 3.455 20 0 CGADMM C[C@H]1C[C@H](C)N(Cc2occ(C(F)(F)F)c2C(=O)[O-])C1 ZINC000903893794 621827636 /nfs/dbraw/zinc/82/76/36/621827636.db2.gz IIDRUXNXWJWMCE-YUMQZZPRSA-N -1 1 291.269 3.227 20 0 CGADMM Cc1nc(CN2CCC[C@@H]2CC(=O)[O-])sc1C(C)(C)C ZINC000903901853 621830544 /nfs/dbraw/zinc/83/05/44/621830544.db2.gz RNYQMTBSONPQKQ-LLVKDONJSA-N -1 1 296.436 3.188 20 0 CGADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1coc(C(C)(C)C)n1 ZINC000903911658 621832951 /nfs/dbraw/zinc/83/29/51/621832951.db2.gz LJVNSQLJSMHQGZ-ZSBIGDGJSA-N -1 1 294.395 3.046 20 0 CGADMM Cc1coc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000904005373 621853466 /nfs/dbraw/zinc/85/34/66/621853466.db2.gz QPRCREYRALUIMM-DOMZBBRYSA-N -1 1 273.332 3.140 20 0 CGADMM [O-]c1ccc(Cc2nc(-c3ccco3)no2)cc1Cl ZINC000904761461 621967406 /nfs/dbraw/zinc/96/74/06/621967406.db2.gz YHKWHLKYQPJKPT-UHFFFAOYSA-N -1 1 276.679 3.279 20 0 CGADMM CCc1oc(CNCc2ccc(C)c(F)c2)cc1C(=O)[O-] ZINC000905751984 622105314 /nfs/dbraw/zinc/10/53/14/622105314.db2.gz OBVSUZPXQRAXMI-UHFFFAOYSA-N -1 1 291.322 3.278 20 0 CGADMM CCC[C@](C)(NCc1cc(C(=O)[O-])no1)c1ccccc1 ZINC000905789918 622110140 /nfs/dbraw/zinc/11/01/40/622110140.db2.gz OORJIABBOPZMQB-INIZCTEOSA-N -1 1 288.347 3.178 20 0 CGADMM CC(C)CCO[C@@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909979370 622441685 /nfs/dbraw/zinc/44/16/85/622441685.db2.gz QFOGSZNTIXIDAR-VIFPVBQESA-N -1 1 287.306 3.060 20 0 CGADMM CC[C@H](OC1CCCC1)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909980606 622443415 /nfs/dbraw/zinc/44/34/15/622443415.db2.gz BWIODAIEDGCJRL-AWEZNQCLSA-N -1 1 299.317 3.347 20 0 CGADMM CCC(=CC(=O)Nc1cc([O-])c(F)cc1F)CC ZINC000909983698 622444225 /nfs/dbraw/zinc/44/42/25/622444225.db2.gz AQWIHBABGGMXMF-UHFFFAOYSA-N -1 1 255.264 3.355 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000909983347 622444860 /nfs/dbraw/zinc/44/48/60/622444860.db2.gz VDLNRQWNPUJNHO-BWPRHRIFSA-N -1 1 267.275 3.045 20 0 CGADMM C[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)C1CCCC1 ZINC000909981950 622445322 /nfs/dbraw/zinc/44/53/22/622445322.db2.gz BSJVHKMGJLJMSF-MRVPVSSYSA-N -1 1 269.291 3.435 20 0 CGADMM CCO[C@H](CC(=O)Nc1cc(F)cc(F)c1[O-])C(C)C ZINC000910982353 622513376 /nfs/dbraw/zinc/51/33/76/622513376.db2.gz NFADEQNFPWFCBG-GFCCVEGCSA-N -1 1 287.306 3.060 20 0 CGADMM CCO[C@@H](c1noc(-c2cc(F)ccc2[O-])n1)C(C)C ZINC000157402078 622900736 /nfs/dbraw/zinc/90/07/36/622900736.db2.gz GMHBDCMJENNJJC-GFCCVEGCSA-N -1 1 280.299 3.315 20 0 CGADMM C=C/C=C/CCNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000914404950 623726598 /nfs/dbraw/zinc/72/65/98/623726598.db2.gz BYTISZJNLDLOBB-AATRIKPKSA-N -1 1 295.766 3.306 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H]2CC2(Cl)Cl)n1 ZINC000916451904 624159685 /nfs/dbraw/zinc/15/96/85/624159685.db2.gz VRRDIJGZKSXQSS-ZETCQYMHSA-N -1 1 293.219 3.421 20 0 CGADMM CC(C)[C@H](CC(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000766766785 624247532 /nfs/dbraw/zinc/24/75/32/624247532.db2.gz DWHYCURPAABUIS-LBPRGKRZSA-N -1 1 289.297 3.426 20 0 CGADMM COC[C@@H](CSc1nc(C)c(C2CC2)c(=O)[n-]1)C(C)C ZINC000918463822 624348057 /nfs/dbraw/zinc/34/80/57/624348057.db2.gz UGFZLVKCZGLRQA-LBPRGKRZSA-N -1 1 296.436 3.379 20 0 CGADMM COc1ccc2cc(C[N-]C(=O)C(F)(F)F)ccc2c1 ZINC000070286832 624996353 /nfs/dbraw/zinc/99/63/53/624996353.db2.gz KNCICNDPANCYAY-UHFFFAOYSA-N -1 1 283.249 3.027 20 0 CGADMM Cc1nc(CN2CCC[C@@H](C(=O)[O-])C2)sc1C(C)(C)C ZINC000923233788 626138300 /nfs/dbraw/zinc/13/83/00/626138300.db2.gz ZADYBRKQPXBCFV-LLVKDONJSA-N -1 1 296.436 3.046 20 0 CGADMM CCO[C@@H](C(=O)Nc1c([O-])cccc1F)C1CCCC1 ZINC000867006979 626325664 /nfs/dbraw/zinc/32/56/64/626325664.db2.gz SBUJAPOYXYVNMW-CQSZACIVSA-N -1 1 281.327 3.065 20 0 CGADMM CC(C)c1ocnc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000754487488 626573087 /nfs/dbraw/zinc/57/30/87/626573087.db2.gz IKAHVIQGHLTUIA-UHFFFAOYSA-N -1 1 280.711 3.409 20 0 CGADMM Cc1cccc([C@H](C)C(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000754713787 626583671 /nfs/dbraw/zinc/58/36/71/626583671.db2.gz JYHCXNYGPBBEAT-ZDUSSCGKSA-N -1 1 287.334 3.486 20 0 CGADMM Cc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)cnc1Cl ZINC000756359182 626695724 /nfs/dbraw/zinc/69/57/24/626695724.db2.gz BFBDZCNRPQZLFW-LLVKDONJSA-N -1 1 296.779 3.020 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1c[nH]c2cccc(F)c12 ZINC000762254001 627103236 /nfs/dbraw/zinc/10/32/36/627103236.db2.gz HVBAANRRQNFQOZ-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM O=C(/C=C\c1ccsc1)Nc1c([O-])cccc1F ZINC000762254937 627103307 /nfs/dbraw/zinc/10/33/07/627103307.db2.gz SEKCTQHPCROMPQ-PLNGDYQASA-N -1 1 263.293 3.245 20 0 CGADMM C/C(=C/C(=O)Nc1c([O-])cccc1F)C(C)(C)C ZINC000762805710 627125195 /nfs/dbraw/zinc/12/51/95/627125195.db2.gz OJVNHAOQODFTIC-HJWRWDBZSA-N -1 1 251.301 3.462 20 0 CGADMM COc1c(F)cc(F)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000768258572 627471863 /nfs/dbraw/zinc/47/18/63/627471863.db2.gz SWHZTGZWHHNSGB-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM C[C@H](C1CC1)N(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000769687163 627572995 /nfs/dbraw/zinc/57/29/95/627572995.db2.gz GWFOKBVTSORTHU-SECBINFHSA-N -1 1 279.767 3.449 20 0 CGADMM CC(C)(NC(=O)c1c([O-])cccc1Cl)c1nccs1 ZINC000769864123 627584833 /nfs/dbraw/zinc/58/48/33/627584833.db2.gz QEFIMDPCHDERBY-UHFFFAOYSA-N -1 1 296.779 3.167 20 0 CGADMM CCS[C@@H]1CCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769948490 627591735 /nfs/dbraw/zinc/59/17/35/627591735.db2.gz UVTCUNXGABQGFS-ZYHUDNBSSA-N -1 1 299.823 3.450 20 0 CGADMM O=C(OCc1ccc2ncccc2c1)c1ccc([O-])cc1F ZINC000770406767 627617637 /nfs/dbraw/zinc/61/76/37/627617637.db2.gz CRUWXGCIVHGGJN-UHFFFAOYSA-N -1 1 297.285 3.437 20 0 CGADMM CC(C)c1nsc([N-]C(=O)c2cc(C(C)(C)C)on2)n1 ZINC000874695668 634595117 /nfs/dbraw/zinc/59/51/17/634595117.db2.gz SGMNTNCKMPNYNT-UHFFFAOYSA-N -1 1 294.380 3.199 20 0 CGADMM [O-]c1ccc(-c2noc(CSC(F)(F)F)n2)c(F)c1 ZINC000771211052 627690767 /nfs/dbraw/zinc/69/07/67/627690767.db2.gz KPKQZQSSJFPARY-UHFFFAOYSA-N -1 1 294.229 3.334 20 0 CGADMM CC(C)c1nsc([N-]C(=O)c2c(F)cccc2F)n1 ZINC000874697531 634596761 /nfs/dbraw/zinc/59/67/61/634596761.db2.gz SDXSIXAAVHSAFZ-UHFFFAOYSA-N -1 1 283.303 3.192 20 0 CGADMM C[C@@H](COC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000773567002 627897459 /nfs/dbraw/zinc/89/74/59/627897459.db2.gz RNROEXVHTXVPKD-NSHDSACASA-N -1 1 274.291 3.492 20 0 CGADMM CC[C@H](C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000778829151 628374146 /nfs/dbraw/zinc/37/41/46/628374146.db2.gz LYUHZMQOMLBGPS-ZETCQYMHSA-N -1 1 273.126 3.110 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cccc(-c3ccccn3)c2)S1 ZINC000874929331 634654065 /nfs/dbraw/zinc/65/40/65/634654065.db2.gz ZGZFULRZIMIXEE-UKTHLTGXSA-N -1 1 282.324 3.073 20 0 CGADMM O=C(NC12CCC(CC1)C2)c1ccc(Cl)cc1[O-] ZINC000784359353 628808985 /nfs/dbraw/zinc/80/89/85/628808985.db2.gz OEGBTIICDBKMRJ-UHFFFAOYSA-N -1 1 265.740 3.108 20 0 CGADMM CCN(C(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000785821026 628889939 /nfs/dbraw/zinc/88/99/39/628889939.db2.gz JGSKMDYQWCIECU-UHFFFAOYSA-N -1 1 276.723 3.107 20 0 CGADMM O=C(c1cncc([O-])c1)N(Cc1ccco1)c1ccccc1 ZINC000786084002 628913181 /nfs/dbraw/zinc/91/31/81/628913181.db2.gz XJGSVHQGJOGNOD-UHFFFAOYSA-N -1 1 294.310 3.227 20 0 CGADMM CCc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000789929772 629174514 /nfs/dbraw/zinc/17/45/14/629174514.db2.gz FWEJIROKVHDMDS-UHFFFAOYSA-N -1 1 276.723 3.255 20 0 CGADMM C[C@H](Cc1ccccc1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000789929681 629174650 /nfs/dbraw/zinc/17/46/50/629174650.db2.gz BBGUAWLSHYJAGG-SNVBAGLBSA-N -1 1 290.750 3.258 20 0 CGADMM C[C@@H]1CC[C@H](CC(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000790051205 629180457 /nfs/dbraw/zinc/18/04/57/629180457.db2.gz NKZCFGAAAQOVDJ-BDAKNGLRSA-N -1 1 268.744 3.205 20 0 CGADMM CC[C@H](C)CC[C@H](O)CC(=O)Nc1c([O-])cccc1F ZINC000793734860 629499251 /nfs/dbraw/zinc/49/92/51/629499251.db2.gz CWVDLAIKZZTMOD-QWRGUYRKSA-N -1 1 283.343 3.047 20 0 CGADMM CC(C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)=C1CCCC1 ZINC000863476783 629586101 /nfs/dbraw/zinc/58/61/01/629586101.db2.gz NYDFNSMQBRSSHT-UHFFFAOYSA-N -1 1 297.358 3.407 20 0 CGADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000864857958 629933019 /nfs/dbraw/zinc/93/30/19/629933019.db2.gz FKVYRWIPFDMIQS-IGJVIKARSA-N -1 1 297.358 3.013 20 0 CGADMM CC(C)C(C)(C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876392896 634826746 /nfs/dbraw/zinc/82/67/46/634826746.db2.gz CBAQCRHHUISZJU-UHFFFAOYSA-N -1 1 284.787 3.279 20 0 CGADMM Cc1cccc(C)c1CNC(=O)c1c(F)ccc([O-])c1F ZINC000809724050 630791397 /nfs/dbraw/zinc/79/13/97/630791397.db2.gz DEYHIHOZCJHAFB-UHFFFAOYSA-N -1 1 291.297 3.217 20 0 CGADMM CC[C@@H](C(=O)[N-]OC[C@@H](C)CC)c1ccc(F)cc1 ZINC000816980214 632068397 /nfs/dbraw/zinc/06/83/97/632068397.db2.gz HGVXDLSUKNLFJH-SMDDNHRTSA-N -1 1 267.344 3.413 20 0 CGADMM CCON(C(=O)c1ccc2ccccc2c1[O-])C(C)C ZINC000844083063 635817424 /nfs/dbraw/zinc/81/74/24/635817424.db2.gz VRVSROOIGMLGNR-UHFFFAOYSA-N -1 1 273.332 3.348 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C=Cc1ccc(C(C)(C)C)cc1 ZINC000820403526 632620473 /nfs/dbraw/zinc/62/04/73/632620473.db2.gz VHHOAQMUNKTXTQ-YFHOEESVSA-N -1 1 299.374 3.373 20 0 CGADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000822543192 632968149 /nfs/dbraw/zinc/96/81/49/632968149.db2.gz PLTKPMNHLDJEAA-ZYUZMQFOSA-N -1 1 281.302 3.291 20 0 CGADMM C[C@H]([N-]c1nnc(C(F)F)o1)c1cc2cnccc2o1 ZINC000866265232 633050945 /nfs/dbraw/zinc/05/09/45/633050945.db2.gz JBAQZNXZAADUBU-LURJTMIESA-N -1 1 280.234 3.322 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@]12C[C@@H]1CCCC2 ZINC000868788486 633363970 /nfs/dbraw/zinc/36/39/70/633363970.db2.gz YOZHGSPYEIVSRS-RTHLEPHNSA-N -1 1 267.275 3.189 20 0 CGADMM CC[C@@](C)(O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000826927503 633443995 /nfs/dbraw/zinc/44/39/95/633443995.db2.gz CKAJWEORZCBHLU-OAHLLOKOSA-N -1 1 293.750 3.298 20 0 CGADMM O=C(N[C@@]12C[C@@H]1CCCC2)c1c([O-])cccc1Cl ZINC000870535470 633600250 /nfs/dbraw/zinc/60/02/50/633600250.db2.gz MENAFIHIRCTGTF-XPTSAGLGSA-N -1 1 265.740 3.108 20 0 CGADMM CCC(F)(F)C(=O)[N-][C@H](C(C)(C)C)C(F)(F)F ZINC000828948108 633671209 /nfs/dbraw/zinc/67/12/09/633671209.db2.gz CDJFURPHMRUMOR-ZCFIWIBFSA-N -1 1 261.234 3.125 20 0 CGADMM O=C(NOCCCC(F)(F)F)c1c([O-])cccc1Cl ZINC000871214791 633730410 /nfs/dbraw/zinc/73/04/10/633730410.db2.gz RRTNUGDJDRIKAK-UHFFFAOYSA-N -1 1 297.660 3.050 20 0 CGADMM CCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1F ZINC000871941571 633921515 /nfs/dbraw/zinc/92/15/15/633921515.db2.gz ZUNGDYXLYROKJC-JTQLQIEISA-N -1 1 275.110 3.444 20 0 CGADMM O=C(NCCC[C@H]1C=CCC1)c1ccc([O-])cc1F ZINC000834327732 634143490 /nfs/dbraw/zinc/14/34/90/634143490.db2.gz VVOOGWPPQWMHSH-NSHDSACASA-N -1 1 263.312 3.008 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000834822018 634248027 /nfs/dbraw/zinc/24/80/27/634248027.db2.gz JGYDGHDDUSWAKP-QJPTWQEYSA-N -1 1 279.767 3.098 20 0 CGADMM CC(C)(C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000834823348 634248290 /nfs/dbraw/zinc/24/82/90/634248290.db2.gz WINCRMWGIANZTQ-UHFFFAOYSA-N -1 1 267.756 3.098 20 0 CGADMM C[C@@H]1CC/C(=C\C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000834828847 634249531 /nfs/dbraw/zinc/24/95/31/634249531.db2.gz BHBMYAYNYIFETP-MXBGMFSPSA-N -1 1 279.767 3.408 20 0 CGADMM CCN(Cn1c(Cc2cccs2)n[n-]c1=S)C1CC1 ZINC000127378603 635644911 /nfs/dbraw/zinc/64/49/11/635644911.db2.gz NBFJIOADHTUNGV-UHFFFAOYSA-N -1 1 294.449 3.035 20 0 CGADMM CC[C@H]1COC(C)(C)CN1C(=O)c1c([O-])cccc1Cl ZINC000846372148 636178916 /nfs/dbraw/zinc/17/89/16/636178916.db2.gz ZTPBSMSLMHDRFC-JTQLQIEISA-N -1 1 297.782 3.075 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1csc(C2CC2)n1 ZINC000846486231 636190730 /nfs/dbraw/zinc/19/07/30/636190730.db2.gz PJUZLHCPMRRONC-UHFFFAOYSA-N -1 1 291.401 3.390 20 0 CGADMM CC(F)(F)C(=O)[N-]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000846612209 636211075 /nfs/dbraw/zinc/21/10/75/636211075.db2.gz KXJHXADQYJUIEC-UHFFFAOYSA-N -1 1 293.235 3.466 20 0 CGADMM CCCN(C(=O)c1c([O-])cccc1Cl)C(C)C ZINC000848292076 636556683 /nfs/dbraw/zinc/55/66/83/636556683.db2.gz QHFKLOBXCILMCV-UHFFFAOYSA-N -1 1 255.745 3.306 20 0 CGADMM CCc1cc(=O)[n-]c(SCC=C(Cl)Cl)n1 ZINC000849892200 636901433 /nfs/dbraw/zinc/90/14/33/636901433.db2.gz NBZQGLPASIFNRW-UHFFFAOYSA-N -1 1 265.165 3.156 20 0 CGADMM CCC(C)(C)CC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266316 637471894 /nfs/dbraw/zinc/47/18/94/637471894.db2.gz HGYHCJPVUHKVQJ-UHFFFAOYSA-N -1 1 285.334 3.155 20 0 CGADMM CC[C@H](C)[C@@H](C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266335 637473566 /nfs/dbraw/zinc/47/35/66/637473566.db2.gz HZRYTZAICKKUHM-VHSXEESVSA-N -1 1 285.334 3.011 20 0 CGADMM O=C(Nc1cccc(N2CCCCC2)c1)c1cncc([O-])c1 ZINC000111578312 637918410 /nfs/dbraw/zinc/91/84/10/637918410.db2.gz ZRPIQNRUEGQABL-UHFFFAOYSA-N -1 1 297.358 3.030 20 0 CGADMM [O-]c1ccc(-c2noc(C3CC4(CC4(F)F)C3)n2)cc1F ZINC000854051393 637978804 /nfs/dbraw/zinc/97/88/04/637978804.db2.gz SJMVWINQFSPHNX-UHFFFAOYSA-N -1 1 296.248 3.484 20 0 CGADMM CCS(=O)(=O)[N-]c1cc(-c2coc(C)c2)ccc1OC ZINC000854200437 638016946 /nfs/dbraw/zinc/01/69/46/638016946.db2.gz OVMHJFMGNJURCA-UHFFFAOYSA-N -1 1 295.360 3.025 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CCCS1 ZINC000885675795 638036122 /nfs/dbraw/zinc/03/61/22/638036122.db2.gz AZNXDBYQDZHTCI-SNVBAGLBSA-N -1 1 275.732 3.019 20 0 CGADMM O=C([N-]Oc1ccccc1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000854537708 638069063 /nfs/dbraw/zinc/06/90/63/638069063.db2.gz ZIPCZIVAJTXVAG-NXEZZACHSA-N -1 1 273.254 3.075 20 0 CGADMM CCCCC[C@@](C)(CC)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000854635676 638080745 /nfs/dbraw/zinc/08/07/45/638080745.db2.gz UFUPQGLPTIIIFR-CQSZACIVSA-N -1 1 267.373 3.359 20 0 CGADMM CCSC1(CNC(=O)c2c([O-])cccc2Cl)CC1 ZINC000856065812 638292207 /nfs/dbraw/zinc/29/22/07/638292207.db2.gz ZUOWGCFWMQWOME-UHFFFAOYSA-N -1 1 285.796 3.061 20 0 CGADMM O=C([N-]c1ccnc(F)c1F)c1coc(C2CCCC2)n1 ZINC000857695701 638554347 /nfs/dbraw/zinc/55/43/47/638554347.db2.gz AMOLVNILBFRCDM-UHFFFAOYSA-N -1 1 293.273 3.258 20 0 CGADMM C[C@@H]1CCC[C@H](CCNc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858413759 638707800 /nfs/dbraw/zinc/70/78/00/638707800.db2.gz VYAPVUHPMAAMRF-NXEZZACHSA-N -1 1 269.776 3.464 20 0 CGADMM O=c1nc(NC[C@H]2CCc3ccccc3C2)cc(Cl)[n-]1 ZINC000858414774 638708561 /nfs/dbraw/zinc/70/85/61/638708561.db2.gz JNGKFKZNTYCCEZ-JTQLQIEISA-N -1 1 289.766 3.053 20 0 CGADMM CC1(C)CCCC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858442891 638719646 /nfs/dbraw/zinc/71/96/46/638719646.db2.gz BVJYCMRRRMGGGV-MRVPVSSYSA-N -1 1 255.749 3.216 20 0 CGADMM C[C@@H](C1CCCCC1)N(C)c1cc(Cl)[n-]c(=O)n1 ZINC000858518987 638753527 /nfs/dbraw/zinc/75/35/27/638753527.db2.gz NXJXRCVUDLIMDS-VIFPVBQESA-N -1 1 269.776 3.241 20 0 CGADMM CC(C)CC1(C)CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858548892 638759184 /nfs/dbraw/zinc/75/91/84/638759184.db2.gz QPCGNAYPUAFVHR-UHFFFAOYSA-N -1 1 283.803 3.488 20 0 CGADMM O=C(CC(C1CCC1)C1CCC1)[N-]OCC(F)(F)F ZINC000860201473 639309384 /nfs/dbraw/zinc/30/93/84/639309384.db2.gz LMXGADUXCNMMSG-UHFFFAOYSA-N -1 1 279.302 3.203 20 0 CGADMM Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000189852693 640210137 /nfs/dbraw/zinc/21/01/37/640210137.db2.gz VQCXVUHLMOPSDW-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM N#CC(=C([O-])C1=CCCCC1)c1cnc2ccccc2n1 ZINC000190897138 640275587 /nfs/dbraw/zinc/27/55/87/640275587.db2.gz BEGHHFZDFIRXAU-CYBMUJFWSA-N -1 1 277.327 3.306 20 0 CGADMM CCO[N-]C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC000084180355 640605266 /nfs/dbraw/zinc/60/52/66/640605266.db2.gz KQXGOYVPAHIROA-LLVKDONJSA-N -1 1 275.270 3.267 20 0 CGADMM CN(C)c1cc(NC(=O)c2ccccc2[O-])ccc1Cl ZINC001156236816 805667189 /nfs/dbraw/zinc/66/71/89/805667189.db2.gz BFOUGKLRHBTABE-UHFFFAOYSA-N -1 1 290.750 3.364 20 0 CGADMM COc1ccc2nc(-c3cccc(F)c3[O-])n(C)c2c1 ZINC001250683501 805754659 /nfs/dbraw/zinc/75/46/59/805754659.db2.gz IOLGRDWIWQJOMC-UHFFFAOYSA-N -1 1 272.279 3.094 20 0 CGADMM COc1ccc2c(c1)nc(-c1cccc(F)c1[O-])n2C ZINC001250684029 805755035 /nfs/dbraw/zinc/75/50/35/805755035.db2.gz WUODZAAWHWKBDC-UHFFFAOYSA-N -1 1 272.279 3.094 20 0 CGADMM [O-]c1cc(F)c(F)cc1-c1nc2cc3c(cc2[nH]1)CCO3 ZINC001250967584 805811920 /nfs/dbraw/zinc/81/19/20/805811920.db2.gz VWGHDNSBNPAGNI-UHFFFAOYSA-N -1 1 288.253 3.149 20 0 CGADMM Cn1c2ccc(F)cc2nc1-c1cc(F)c(F)cc1[O-] ZINC001250967088 805810165 /nfs/dbraw/zinc/81/01/65/805810165.db2.gz HZNLTCUGQGWLLQ-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM CN(C)c1ccc2nc(-c3sccc3C(=O)[O-])[nH]c2c1 ZINC001251011012 805827157 /nfs/dbraw/zinc/82/71/57/805827157.db2.gz IKGCIDSTROILQT-UHFFFAOYSA-N -1 1 287.344 3.056 20 0 CGADMM Cc1cc(F)cc2[nH]c(-c3ccc(C(=O)[O-])cc3O)nc21 ZINC001251016438 805828942 /nfs/dbraw/zinc/82/89/42/805828942.db2.gz DUYGZUJGLKUHDM-UHFFFAOYSA-N -1 1 286.262 3.081 20 0 CGADMM Cc1ccc2nc(-c3ccc(C(=O)[O-])s3)[nH]c2c1 ZINC001251015445 805830299 /nfs/dbraw/zinc/83/02/99/805830299.db2.gz RQBQYKJLDRVHIX-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM [O-]c1cnc(Cl)cc1-c1nc2c(cccc2F)[nH]1 ZINC001251252279 805871279 /nfs/dbraw/zinc/87/12/79/805871279.db2.gz RUPQPKVPZHWWCR-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM Cc1ccc2[nH]c(-c3cc(Cl)ncc3[O-])nc2c1 ZINC001251251433 805871365 /nfs/dbraw/zinc/87/13/65/805871365.db2.gz FDWBEWQWFXHHAW-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM Cc1ccc2nc(-c3cc(Cl)ncc3[O-])[nH]c2c1 ZINC001251251433 805871372 /nfs/dbraw/zinc/87/13/72/805871372.db2.gz FDWBEWQWFXHHAW-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM Cc1ccccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001157805147 805874718 /nfs/dbraw/zinc/87/47/18/805874718.db2.gz BIEKUECCAPVQHS-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM COc1cccc(C(=O)Nc2ccc([O-])c(F)c2F)c1F ZINC001157811469 805875644 /nfs/dbraw/zinc/87/56/44/805875644.db2.gz DVRSJHNNHQJSEJ-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM CCC[C@H](NC(=O)c1cccc([O-])c1F)C(C)(C)C ZINC001158429420 805953816 /nfs/dbraw/zinc/95/38/16/805953816.db2.gz MSAATUKYYFIHKF-LBPRGKRZSA-N -1 1 267.344 3.476 20 0 CGADMM [O-]c1cc(NC[C@H](O)c2ccccc2)c(F)cc1Cl ZINC001251996937 805967602 /nfs/dbraw/zinc/96/76/02/805967602.db2.gz VFKYSLPYOGCFQN-AWEZNQCLSA-N -1 1 281.714 3.330 20 0 CGADMM O=C(NCC[C@@H]1CCC(F)(F)C1)c1cccc([O-])c1F ZINC001158836116 806010940 /nfs/dbraw/zinc/01/09/40/806010940.db2.gz COLNZXJCIYWTOT-VIFPVBQESA-N -1 1 287.281 3.087 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N=NC3)cc1 ZINC001252204749 806030309 /nfs/dbraw/zinc/03/03/09/806030309.db2.gz DHNKHRUBTQLVIU-UHFFFAOYSA-N -1 1 287.344 3.393 20 0 CGADMM O[C@@H](CNC1=CC=C[CH]1)C(c1ccccc1)c1ccccc1 ZINC001253933028 806319209 /nfs/dbraw/zinc/31/92/09/806319209.db2.gz KICOQHYLLHNTEB-IBGZPJMESA-N -1 1 290.386 3.427 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1C[C@@H]1c1ccccc1 ZINC001160916894 806321415 /nfs/dbraw/zinc/32/14/15/806321415.db2.gz OVXAIAQFKGYHPA-MNOVXSKESA-N -1 1 289.281 3.413 20 0 CGADMM Cc1cc(C)c(C(=O)Nc2cc(F)cc(F)c2[O-])c(C)n1 ZINC001162295185 806551636 /nfs/dbraw/zinc/55/16/36/806551636.db2.gz BUBZVDWNBRNLHW-UHFFFAOYSA-N -1 1 292.285 3.243 20 0 CGADMM Cc1ccc(Nc2ccnc(Cl)c2[O-])cc1O ZINC001211695731 814933009 /nfs/dbraw/zinc/93/30/09/814933009.db2.gz RSZAJASMCCRRTN-UHFFFAOYSA-N -1 1 250.685 3.198 20 0 CGADMM C[C@H](Cc1ccco1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000315328350 799235009 /nfs/dbraw/zinc/23/50/09/799235009.db2.gz MODWCRSNBHDBSG-GFCCVEGCSA-N -1 1 295.338 3.499 20 0 CGADMM Cc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1O ZINC001211695413 814933146 /nfs/dbraw/zinc/93/31/46/814933146.db2.gz AOTPNOLRZCVQDS-UHFFFAOYSA-N -1 1 283.283 3.256 20 0 CGADMM C[C@@H](CN(C)C(=O)c1ccc([O-])cc1F)C(C)(C)C ZINC000399630923 799539932 /nfs/dbraw/zinc/53/99/32/799539932.db2.gz WTYLJUAZYQLPTM-JTQLQIEISA-N -1 1 267.344 3.286 20 0 CGADMM Cc1cc(CNCc2csc(C)c2C)oc1C(=O)[O-] ZINC000399820291 799542223 /nfs/dbraw/zinc/54/22/23/799542223.db2.gz UJYNAZXRHVHEIH-UHFFFAOYSA-N -1 1 279.361 3.254 20 0 CGADMM CN(C)c1ccccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000436904948 799612471 /nfs/dbraw/zinc/61/24/71/799612471.db2.gz RIXXXRWLSBCTTO-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM CS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000707342293 799976314 /nfs/dbraw/zinc/97/63/14/799976314.db2.gz FVKJPCYQEKKSGB-MNOVXSKESA-N -1 1 299.823 3.402 20 0 CGADMM C[C@@H]1c2sccc2CCN1Cc1ccoc1C(=O)[O-] ZINC000712325504 800083410 /nfs/dbraw/zinc/08/34/10/800083410.db2.gz NBNQRXRAQNYNJI-SECBINFHSA-N -1 1 277.345 3.159 20 0 CGADMM C[C@H]1c2sccc2CCN1Cc1occc1C(=O)[O-] ZINC000712323934 800084537 /nfs/dbraw/zinc/08/45/37/800084537.db2.gz CSVMUDDLSKJNTR-VIFPVBQESA-N -1 1 277.345 3.159 20 0 CGADMM CCCCCc1nnc(-c2c([O-])cccc2OC)o1 ZINC001256068442 806809599 /nfs/dbraw/zinc/80/95/99/806809599.db2.gz UIIOOWNKIRUDQX-UHFFFAOYSA-N -1 1 262.309 3.184 20 0 CGADMM O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1cc(Cl)ccc1[O-] ZINC000717161173 800195261 /nfs/dbraw/zinc/19/52/61/800195261.db2.gz JXSPKYHMWOBYMU-HOSYDEDBSA-N -1 1 279.767 3.212 20 0 CGADMM O=C([O-])c1ccc(CN(Cc2ccoc2)C2CC2)s1 ZINC000723738722 800338947 /nfs/dbraw/zinc/33/89/47/800338947.db2.gz IYUSEHPHUYLJHJ-UHFFFAOYSA-N -1 1 277.345 3.204 20 0 CGADMM CCCCCc1nnc(-c2cc([O-])cc(F)c2F)o1 ZINC001256144471 806833168 /nfs/dbraw/zinc/83/31/68/806833168.db2.gz ISJSMAKECOTZDB-UHFFFAOYSA-N -1 1 268.263 3.453 20 0 CGADMM CC(C)Nc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001201499029 811867969 /nfs/dbraw/zinc/86/79/69/811867969.db2.gz KWTCLBMOLRETIS-UHFFFAOYSA-N -1 1 282.347 3.134 20 0 CGADMM Cc1nc2[nH]ccc2nc1-c1c([O-])cccc1Cl ZINC001244047849 803159550 /nfs/dbraw/zinc/15/95/50/803159550.db2.gz KRZZFRGMYJLMQC-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3nnccc3c2)cc1F ZINC001244096343 803183743 /nfs/dbraw/zinc/18/37/43/803183743.db2.gz IAGBAJWXACEICR-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1ncccc1F ZINC001244464544 803380822 /nfs/dbraw/zinc/38/08/22/803380822.db2.gz RPXSVKTWLSRCTI-UHFFFAOYSA-N -1 1 273.185 3.492 20 0 CGADMM Cc1ncc(F)c(-c2ccc(OC(F)(F)F)cc2[O-])n1 ZINC001244464559 803381830 /nfs/dbraw/zinc/38/18/30/803381830.db2.gz RZPQLIBYELXQNA-UHFFFAOYSA-N -1 1 288.200 3.195 20 0 CGADMM Cn1ccc2nc(-c3c(Cl)ccc([O-])c3F)ncc21 ZINC001244537538 803425294 /nfs/dbraw/zinc/42/52/94/803425294.db2.gz AJQCGYZHTXLGCA-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM O=c1ccc(-c2c(F)c([O-])ccc2Cl)cn1C(F)F ZINC001244539656 803427683 /nfs/dbraw/zinc/42/76/83/803427683.db2.gz BEJIFFDQBZNYQE-UHFFFAOYSA-N -1 1 289.640 3.409 20 0 CGADMM O=c1cnc(-c2c(Cl)ccc([O-])c2F)cn1C1CCC1 ZINC001244543208 803429192 /nfs/dbraw/zinc/42/91/92/803429192.db2.gz SMRIGELHTCPSSN-UHFFFAOYSA-N -1 1 294.713 3.133 20 0 CGADMM COC(=O)c1cncc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244541696 803429891 /nfs/dbraw/zinc/42/98/91/803429891.db2.gz QSIVQCJLOFKXGF-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM CSc1cnc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244543786 803430872 /nfs/dbraw/zinc/43/08/72/803430872.db2.gz WLIMJVVCERIYIG-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM O=C([O-])c1cc(-c2cccc3[nH]nnc32)c(F)cc1Cl ZINC001244613410 803464891 /nfs/dbraw/zinc/46/48/91/803464891.db2.gz LXSHLJHDGSMCKZ-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM O=[P@@]([O-])(O)c1ccc(-c2cccc(C3CCC3)c2)cc1 ZINC001244980350 803602625 /nfs/dbraw/zinc/60/26/25/803602625.db2.gz CXYSDBTVLHFTRG-UHFFFAOYSA-N -1 1 288.283 3.424 20 0 CGADMM O=[P@]([O-])(O)c1ccc(-c2cccc(C3CCC3)c2)cc1 ZINC001244980350 803602628 /nfs/dbraw/zinc/60/26/28/803602628.db2.gz CXYSDBTVLHFTRG-UHFFFAOYSA-N -1 1 288.283 3.424 20 0 CGADMM CN(Cc1cccc(Cl)c1)C(=O)c1cccc([O-])c1F ZINC001135638511 803608365 /nfs/dbraw/zinc/60/83/65/803608365.db2.gz SVZJBKBKDYNKKF-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM Cc1nc2ccc(-c3cc(Cl)ccc3[O-])nc2[nH]1 ZINC001245049887 803622067 /nfs/dbraw/zinc/62/20/67/803622067.db2.gz VSCGBHSEKNCOMT-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1ccnc(N2CCCCC2)n1 ZINC001245050620 803622851 /nfs/dbraw/zinc/62/28/51/803622851.db2.gz WSZWDFVRLZJZON-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM CSc1ccncc1[N-]C(=O)c1csc(Cl)n1 ZINC001137168984 803693445 /nfs/dbraw/zinc/69/34/45/803693445.db2.gz MWJYQIUHBZWAQT-UHFFFAOYSA-N -1 1 285.781 3.166 20 0 CGADMM CN(C)c1ccnc(-c2cc(Cl)c([O-])cc2F)c1 ZINC001245666998 803894527 /nfs/dbraw/zinc/89/45/27/803894527.db2.gz DIGVDAJOGZGGEK-UHFFFAOYSA-N -1 1 266.703 3.313 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc3cc[nH]c3n2)c1Cl ZINC001245827253 803982179 /nfs/dbraw/zinc/98/21/79/803982179.db2.gz NJFOTFMDFLTHDW-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM Cc1ncc(-c2c(F)ccc([O-])c2Cl)nc1C ZINC001245827649 803983179 /nfs/dbraw/zinc/98/31/79/803983179.db2.gz OIJBCIGUHVNRAS-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM Cc1cc(-c2c(F)ccc([O-])c2Cl)nc2[nH]cnc21 ZINC001245830018 803984199 /nfs/dbraw/zinc/98/41/99/803984199.db2.gz FOCYPQVZQLVVNX-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM COCOc1cncc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245835026 803988462 /nfs/dbraw/zinc/98/84/62/803988462.db2.gz LWAYQQXMQHUDEY-UHFFFAOYSA-N -1 1 283.686 3.229 20 0 CGADMM O=c1c(-c2c(F)ccc([O-])c2Cl)cccn1CC1CC1 ZINC001245836039 803988715 /nfs/dbraw/zinc/98/87/15/803988715.db2.gz WNDVZRQXAJUZIF-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM [O-]c1ccc(F)c(-c2cncc3cc(CO)oc32)c1Cl ZINC001245833063 803989018 /nfs/dbraw/zinc/98/90/18/803989018.db2.gz SJKIFFUYOXYEGS-UHFFFAOYSA-N -1 1 293.681 3.485 20 0 CGADMM Cc1ncc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)s1 ZINC001212144287 814983313 /nfs/dbraw/zinc/98/33/13/814983313.db2.gz NHLYZVZJLRPVEW-UHFFFAOYSA-N -1 1 272.333 3.086 20 0 CGADMM Cc1cccc(-c2cc(=O)n(-c3ccccc3C(=O)[O-])[nH]2)c1 ZINC001245918704 804047121 /nfs/dbraw/zinc/04/71/21/804047121.db2.gz YBCJALXRGAFGKV-UHFFFAOYSA-N -1 1 294.310 3.252 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(Cl)c(C)c2)[n-]1 ZINC001245925727 804053875 /nfs/dbraw/zinc/05/38/75/804053875.db2.gz VSWDZIULAWTDCA-UHFFFAOYSA-N -1 1 250.729 3.492 20 0 CGADMM C[C@H]1CCC[C@@H]1n1[n-]c(-c2ccc(N)cc2)cc1=O ZINC001245936373 804067664 /nfs/dbraw/zinc/06/76/64/804067664.db2.gz JWPCYHISBSBKHW-HZMBPMFUSA-N -1 1 257.337 3.199 20 0 CGADMM C[C@H]1CCC[C@H]1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001138944115 804079247 /nfs/dbraw/zinc/07/92/47/804079247.db2.gz SVNPOYUMJHWREE-RYUDHWBXSA-N -1 1 284.359 3.106 20 0 CGADMM Cc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cnc1F ZINC001212193006 814992200 /nfs/dbraw/zinc/99/22/00/814992200.db2.gz SRWUOZFEUYQRFQ-UHFFFAOYSA-N -1 1 284.294 3.164 20 0 CGADMM [O-]c1c(Cl)c(Cl)ccc1Nc1ccc(CO)nc1 ZINC001212385391 815014505 /nfs/dbraw/zinc/01/45/05/815014505.db2.gz CAMLWLMKBMTRJT-UHFFFAOYSA-N -1 1 285.130 3.330 20 0 CGADMM COc1cccc(F)c1C(=O)Nc1ccc([O-])c(F)c1F ZINC001140652625 804484168 /nfs/dbraw/zinc/48/41/68/804484168.db2.gz NGKKENONEZQTCW-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM C[C@H]1Cc2cccc(C(=O)Nc3c([O-])cccc3F)c2O1 ZINC001165751281 807017775 /nfs/dbraw/zinc/01/77/75/807017775.db2.gz JRRQVNGJZWCECU-VIFPVBQESA-N -1 1 287.290 3.107 20 0 CGADMM C[C@@]1(CF)CC(F)(F)CN1Cc1cc(F)c([O-])c(F)c1 ZINC001140988363 804562720 /nfs/dbraw/zinc/56/27/20/804562720.db2.gz XRNUMRZLECIBGD-LBPRGKRZSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1c(F)cc(CN(Cc2ccco2)C2CC2)cc1F ZINC001140990526 804564524 /nfs/dbraw/zinc/56/45/24/804564524.db2.gz FAJBMYKIURHCEN-UHFFFAOYSA-N -1 1 279.286 3.428 20 0 CGADMM CCCCC[C@@H](C)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001141462930 804644252 /nfs/dbraw/zinc/64/42/52/804644252.db2.gz ZMIVWOZYXAXFHR-GFCCVEGCSA-N -1 1 277.364 3.212 20 0 CGADMM C=COc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001141978573 804685074 /nfs/dbraw/zinc/68/50/74/804685074.db2.gz GFQZETPADZSQOW-UHFFFAOYSA-N -1 1 273.263 3.306 20 0 CGADMM Cc1ccc(F)cc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142542248 804735930 /nfs/dbraw/zinc/73/59/30/804735930.db2.gz NSALJXYGEXSZET-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CCCO[C@H]1CCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142656375 804750364 /nfs/dbraw/zinc/75/03/64/804750364.db2.gz FOVKSQKUBCNVQI-ZDUSSCGKSA-N -1 1 297.782 3.039 20 0 CGADMM Cc1cccc2c1CN(Cc1cc(F)c([O-])cc1F)C2 ZINC001144647912 805021778 /nfs/dbraw/zinc/02/17/78/805021778.db2.gz OUJVUHYCVRPLLL-UHFFFAOYSA-N -1 1 275.298 3.495 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@H](F)C(F)(F)CC2)cc1F ZINC001144647022 805022928 /nfs/dbraw/zinc/02/29/28/805022928.db2.gz VRZITASDXOWCQB-LBPRGKRZSA-N -1 1 295.251 3.240 20 0 CGADMM Cc1ncccc1CN(C)Cc1cc(F)c([O-])cc1F ZINC001144659439 805029288 /nfs/dbraw/zinc/02/92/88/805029288.db2.gz IXPDFWRWYWASBG-UHFFFAOYSA-N -1 1 278.302 3.006 20 0 CGADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)C1=CCCCC1 ZINC001146708051 805081802 /nfs/dbraw/zinc/08/18/02/805081802.db2.gz RDLBYMOMXQIWIU-UHFFFAOYSA-N -1 1 283.331 3.017 20 0 CGADMM O=C(CC1=CCCCC1)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001146729445 805084942 /nfs/dbraw/zinc/08/49/42/805084942.db2.gz HTDCYRFAZOYGCS-UHFFFAOYSA-N -1 1 297.358 3.407 20 0 CGADMM CC(C)C[C@@H]1CCN(C(=O)c2cccc([O-])c2F)C1 ZINC001148546973 805194224 /nfs/dbraw/zinc/19/42/24/805194224.db2.gz DCFCKTJEHCGPKF-NSHDSACASA-N -1 1 265.328 3.040 20 0 CGADMM O=C([O-])c1c(F)ccc(CN2CCC23CCCC3)c1F ZINC001249762344 805237764 /nfs/dbraw/zinc/23/77/64/805237764.db2.gz DIYVOKYQURAGIQ-UHFFFAOYSA-N -1 1 281.302 3.182 20 0 CGADMM CC[C@H]1CCCCN1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249775658 805241209 /nfs/dbraw/zinc/24/12/09/805241209.db2.gz DLEJLDUKAZCTBQ-NSHDSACASA-N -1 1 283.318 3.428 20 0 CGADMM CC(C)c1ccc(C[C@H](C)NC(=O)c2ccc([O-])cn2)cc1 ZINC001151005677 805277668 /nfs/dbraw/zinc/27/76/68/805277668.db2.gz SACKWYWEGINIIW-ZDUSSCGKSA-N -1 1 298.386 3.272 20 0 CGADMM COc1ccccc1C(=O)Cc1cc(F)c([O-])cc1F ZINC001249892282 805283527 /nfs/dbraw/zinc/28/35/27/805283527.db2.gz YMAMMRYLBUIDLO-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM Cc1cnc(Cl)c(Nc2cc([O-])c(F)c(F)c2F)n1 ZINC001249960540 805326617 /nfs/dbraw/zinc/32/66/17/805326617.db2.gz MRRVRGHPMURDKU-UHFFFAOYSA-N -1 1 289.644 3.305 20 0 CGADMM COc1ccc(N)cc1Nc1cc([O-])c(F)c(F)c1F ZINC001249962192 805328516 /nfs/dbraw/zinc/32/85/16/805328516.db2.gz BZGZXTIWPUTRQR-UHFFFAOYSA-N -1 1 284.237 3.144 20 0 CGADMM Nc1cc2ccn(-c3cc([O-])c(F)c(F)c3F)c2cc1F ZINC001249966583 805333744 /nfs/dbraw/zinc/33/37/44/805333744.db2.gz IVCAZGGOGIDPSE-UHFFFAOYSA-N -1 1 296.223 3.475 20 0 CGADMM O=C(NC[C@H]1CCc2ccccc2C1)c1ccc([O-])cc1F ZINC001152786350 805368830 /nfs/dbraw/zinc/36/88/30/805368830.db2.gz FOASZHLYTARYCB-LBPRGKRZSA-N -1 1 299.345 3.066 20 0 CGADMM [O-]c1cc(F)c(Nc2c(F)cncc2F)cc1Cl ZINC001250017809 805369526 /nfs/dbraw/zinc/36/95/26/805369526.db2.gz KIYWWLKUTFQNDT-UHFFFAOYSA-N -1 1 274.629 3.023 20 0 CGADMM Cc1cnc(Nc2cc(Cl)c([O-])cc2F)c(N)c1 ZINC001250020056 805370250 /nfs/dbraw/zinc/37/02/50/805370250.db2.gz BZTWCLXTIICWFO-UHFFFAOYSA-N -1 1 267.691 3.214 20 0 CGADMM [O-]c1cc(F)c(Nc2cccnc2F)cc1Cl ZINC001250020781 805371264 /nfs/dbraw/zinc/37/12/64/805371264.db2.gz RDEWPKFOOXZMQB-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM COc1ccc(Nc2cc(Cl)c([O-])cc2F)nc1OC ZINC001250020843 805372655 /nfs/dbraw/zinc/37/26/55/805372655.db2.gz SZJFKBBEXVVPSJ-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM COc1cc(CO)ccc1Nc1cc(Cl)c([O-])cc1F ZINC001250026437 805377258 /nfs/dbraw/zinc/37/72/58/805377258.db2.gz NOWHEORUDMGRIY-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM CN(CCCc1ccccc1)C(=O)c1cccc([O-])c1F ZINC001153546881 805402144 /nfs/dbraw/zinc/40/21/44/805402144.db2.gz SNBMAXHTAWVINZ-UHFFFAOYSA-N -1 1 287.334 3.236 20 0 CGADMM Cc1ccc(NC(=O)c2ccc3ccccc3c2[O-])c(=O)[nH]1 ZINC001153847346 805418059 /nfs/dbraw/zinc/41/80/59/805418059.db2.gz ZFUVUUNVJJSUIO-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM CCc1cc(O)ccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001154201830 805439157 /nfs/dbraw/zinc/43/91/57/805439157.db2.gz SYNQIOUYUCGENS-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM CC(C)[C@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001154485496 805458779 /nfs/dbraw/zinc/45/87/79/805458779.db2.gz FIGIEBOIKBDXTA-ZDUSSCGKSA-N -1 1 295.810 3.483 20 0 CGADMM Cc1c[nH]c(=O)cc1Nc1c(F)ccc([O-])c1Cl ZINC001250229490 805506071 /nfs/dbraw/zinc/50/60/71/805506071.db2.gz KYKZTOLVHULJIO-UHFFFAOYSA-N -1 1 268.675 3.337 20 0 CGADMM COc1ccc(F)c([N-]c2cnns2)c1Cl ZINC001250305115 805555926 /nfs/dbraw/zinc/55/59/26/805555926.db2.gz HGLHIGRSPXZFEL-UHFFFAOYSA-N -1 1 259.693 3.083 20 0 CGADMM Cc1c(=O)[n-]n(-c2ccccc2)c1NC1CCCC1 ZINC001257349373 807117539 /nfs/dbraw/zinc/11/75/39/807117539.db2.gz LIADLHNAMTXGIV-UHFFFAOYSA-N -1 1 257.337 3.241 20 0 CGADMM Cc1c(F)ccc(-c2noc(-c3ccncc3[O-])n2)c1F ZINC001212721568 815113766 /nfs/dbraw/zinc/11/37/66/815113766.db2.gz WXTKMEYKHARIJH-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1cc(F)c(F)c(-c2noc(-c3ccncc3[O-])n2)c1 ZINC001212721529 815114342 /nfs/dbraw/zinc/11/43/42/815114342.db2.gz VPIUZVITLRGERP-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1cc(F)cc(-c2noc(-c3ccncc3[O-])n2)c1F ZINC001212721641 815114972 /nfs/dbraw/zinc/11/49/72/815114972.db2.gz YNEJUDODKKZGJD-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1c(F)nccc1Nc1ccc(F)c(F)c1[O-] ZINC001212844922 815154670 /nfs/dbraw/zinc/15/46/70/815154670.db2.gz QZBRTYOTVBJFER-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM COc1ccc(Nc2ccnc(Cl)c2[O-])cc1OC ZINC001173887092 808742192 /nfs/dbraw/zinc/74/21/92/808742192.db2.gz XBJVXLQMOLCRIG-UHFFFAOYSA-N -1 1 280.711 3.201 20 0 CGADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1OC ZINC001173889672 808744072 /nfs/dbraw/zinc/74/40/72/808744072.db2.gz PCAZPTXTXGAMHZ-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM COc1cccc(OC)c1Nc1c([O-])cc(F)cc1F ZINC001173922337 808762381 /nfs/dbraw/zinc/76/23/81/808762381.db2.gz WLJXRFFIGHGTJD-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM [O-]c1c(Cl)cc(Cl)cc1Nc1ccc2ncnn2c1 ZINC001174373573 808981795 /nfs/dbraw/zinc/98/17/95/808981795.db2.gz YNWRQYXUBSLYHJ-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1cnc2[nH]ccc2c1 ZINC001174395910 808993555 /nfs/dbraw/zinc/99/35/55/808993555.db2.gz DVHPOZFDRAXFAX-UHFFFAOYSA-N -1 1 293.282 3.070 20 0 CGADMM COc1cc(Nc2ccc(F)c(F)c2[O-])ccc1O ZINC001174543799 809076373 /nfs/dbraw/zinc/07/63/73/809076373.db2.gz YMIQKAGPDBHQKE-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cnn([C@@H]2CCCCO2)c1 ZINC001174608392 809100936 /nfs/dbraw/zinc/10/09/36/809100936.db2.gz QVTYCYZRVWJZHR-LBPRGKRZSA-N -1 1 295.289 3.310 20 0 CGADMM CCO[C@@H](C)n1cc(Nc2cc([O-])c(F)c(F)c2)cn1 ZINC001174705179 809139285 /nfs/dbraw/zinc/13/92/85/809139285.db2.gz YDTYELDIYWICAZ-QMMMGPOBSA-N -1 1 283.278 3.166 20 0 CGADMM [O-]c1c(F)cc(Nc2cccc3nccnc32)cc1F ZINC001213381783 815273143 /nfs/dbraw/zinc/27/31/43/815273143.db2.gz HGSMUEIDDYLQTQ-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1cc(Cl)ccc1F ZINC001175299858 809343379 /nfs/dbraw/zinc/34/33/79/809343379.db2.gz UBRHDEDGLWVTMX-UHFFFAOYSA-N -1 1 284.674 3.387 20 0 CGADMM CCc1ncoc1C(=O)[N-]c1cc(F)c(F)c(F)c1F ZINC001288033436 809351252 /nfs/dbraw/zinc/35/12/52/809351252.db2.gz CIIQEWSDQSZEDE-UHFFFAOYSA-N -1 1 288.200 3.046 20 0 CGADMM C[C@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)C(F)F ZINC001288270698 809356455 /nfs/dbraw/zinc/35/64/55/809356455.db2.gz HGCPVGYIJCACSZ-LURJTMIESA-N -1 1 283.652 3.202 20 0 CGADMM COc1ncc(C)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001175338039 809363512 /nfs/dbraw/zinc/36/35/12/809363512.db2.gz XUQCQZRTFKYAIP-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM [O-]c1cc(Nc2cnc3n[nH]cc3c2)c(F)cc1Cl ZINC001175404238 809394777 /nfs/dbraw/zinc/39/47/77/809394777.db2.gz YAHKHKDAOCLPGL-UHFFFAOYSA-N -1 1 278.674 3.200 20 0 CGADMM Cn1ncc2cc(Nc3c([O-])cc(F)cc3F)ccc21 ZINC001175424420 809400253 /nfs/dbraw/zinc/40/02/53/809400253.db2.gz OSKJXXVLAOWLQP-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM CC[C@@H](C)[C@H](NC(=O)c1cccc([O-])c1F)C(F)(F)F ZINC001297105020 809512452 /nfs/dbraw/zinc/51/24/52/809512452.db2.gz NBTMLNFYSSIWNC-HQJQHLMTSA-N -1 1 293.260 3.238 20 0 CGADMM O=C(/C=C/c1ccccc1)Nc1cc([O-])c(F)cc1F ZINC001298974313 809542476 /nfs/dbraw/zinc/54/24/76/809542476.db2.gz PYNABJXUWQKVQE-VOTSOKGWSA-N -1 1 275.254 3.322 20 0 CGADMM CCCn1nc(C)cc1Nc1cc2ccc([O-])cc2oc1=O ZINC001175800414 809546895 /nfs/dbraw/zinc/54/68/95/809546895.db2.gz RGSMJWAQRRWIHA-UHFFFAOYSA-N -1 1 299.330 3.157 20 0 CGADMM CCO[C@@H]1CCC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC001299275309 809547407 /nfs/dbraw/zinc/54/74/07/809547407.db2.gz AUGKBPGUMHDRRV-NVXWUHKLSA-N -1 1 299.370 3.233 20 0 CGADMM Cc1cc(Nc2ccnc(Cl)c2[O-])cc(C)c1N ZINC001175931467 809573213 /nfs/dbraw/zinc/57/32/13/809573213.db2.gz DAWNAWXBYGUPPP-UHFFFAOYSA-N -1 1 263.728 3.383 20 0 CGADMM O=C(NCC[C@H]1CCCC1(F)F)c1cc(F)ccc1[O-] ZINC001303059001 809603313 /nfs/dbraw/zinc/60/33/13/809603313.db2.gz IUKCEPPSALQRDT-SECBINFHSA-N -1 1 287.281 3.087 20 0 CGADMM [O-]c1c(Cl)cc(Cl)cc1NC1=CCOCC1 ZINC001176147281 809636013 /nfs/dbraw/zinc/63/60/13/809636013.db2.gz KGBZSCTZZQSHCW-UHFFFAOYSA-N -1 1 260.120 3.415 20 0 CGADMM CC1(C)C[C@@]1(C)CNC(=O)c1c([O-])cccc1Cl ZINC001176356886 809676252 /nfs/dbraw/zinc/67/62/52/809676252.db2.gz GPYYGQLGGLPHAS-AWEZNQCLSA-N -1 1 267.756 3.212 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cnn3cccc(F)c23)c1F ZINC001176670095 809740397 /nfs/dbraw/zinc/74/03/97/809740397.db2.gz QZVJFXNQWGKETA-UHFFFAOYSA-N -1 1 297.211 3.340 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccc3nccnc32)c1F ZINC001176673754 809741211 /nfs/dbraw/zinc/74/12/11/809741211.db2.gz ZOVHIXAFKYOCBE-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM O=C(/C=C\c1cccs1)NCc1ccc([O-])c(Cl)c1 ZINC001176994432 809773308 /nfs/dbraw/zinc/77/33/08/809773308.db2.gz RMLAIYNSXABLNZ-XQRVVYSFSA-N -1 1 293.775 3.437 20 0 CGADMM CCc1cnc(NC(=O)c2cc3ccccc3cc2[O-])o1 ZINC001179413516 809920088 /nfs/dbraw/zinc/92/00/88/809920088.db2.gz IBZBSNHISUYHEX-UHFFFAOYSA-N -1 1 282.299 3.348 20 0 CGADMM Cc1ccn(C)c1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179660319 809935650 /nfs/dbraw/zinc/93/56/50/809935650.db2.gz PVQFURKLOQLUQU-UHFFFAOYSA-N -1 1 282.702 3.084 20 0 CGADMM C[C@H](c1ccccn1)N(C)Cc1ccc([O-])c(F)c1F ZINC001180740050 810019746 /nfs/dbraw/zinc/01/97/46/810019746.db2.gz LCTBSHUXYKCDEV-SNVBAGLBSA-N -1 1 278.302 3.258 20 0 CGADMM CSc1nc(NC(=O)C(C)(C)CC2CCC2)cc(=O)[n-]1 ZINC001183909147 810168346 /nfs/dbraw/zinc/16/83/46/810168346.db2.gz CNDBBXZIJXJXKY-UHFFFAOYSA-N -1 1 295.408 3.059 20 0 CGADMM COCCCCC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001185627321 810280911 /nfs/dbraw/zinc/28/09/11/810280911.db2.gz TUDIWRFDNOOAIF-UHFFFAOYSA-N -1 1 291.269 3.166 20 0 CGADMM O=C(Nc1cnccc1C1CC1)c1ccc([O-])c(F)c1 ZINC001186209042 810321599 /nfs/dbraw/zinc/32/15/99/810321599.db2.gz NTBRBLAVDBMPCM-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM CC(C)[C@@H](NC(=O)c1ccncc1[O-])c1ccc(F)cc1 ZINC001188637844 810497444 /nfs/dbraw/zinc/49/74/44/810497444.db2.gz HPSZEBUTFSWESE-OAHLLOKOSA-N -1 1 288.322 3.053 20 0 CGADMM CC(C)Cc1cccc([N-]S(=O)(=O)c2ccncc2)c1 ZINC001190898563 810654997 /nfs/dbraw/zinc/65/49/97/810654997.db2.gz UZZYFDBIUYDBIP-UHFFFAOYSA-N -1 1 290.388 3.081 20 0 CGADMM Cc1cc(Nc2cc(F)c([O-])c(Cl)c2)nc(C)n1 ZINC001214477512 815415019 /nfs/dbraw/zinc/41/50/19/815415019.db2.gz SJUDKXLFIZPIPP-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM O=c1cc(Nc2cc(F)c([O-])c(Cl)c2)cc[nH]1 ZINC001214480143 815415538 /nfs/dbraw/zinc/41/55/38/815415538.db2.gz MCALJHFRFFTWLL-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM O=C1NCc2ccc(Nc3cc(F)c([O-])c(Cl)c3)cc21 ZINC001214486659 815416129 /nfs/dbraw/zinc/41/61/29/815416129.db2.gz SFQQGSNQYIWDMF-UHFFFAOYSA-N -1 1 292.697 3.172 20 0 CGADMM Cc1c2ccc(N)cc2nn1-c1cc(F)c([O-])c(Cl)c1 ZINC001214490548 815417302 /nfs/dbraw/zinc/41/73/02/815417302.db2.gz XQOYWBKNJVGBGB-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC001194603364 811092998 /nfs/dbraw/zinc/09/29/98/811092998.db2.gz VISCNYOEGNPZHN-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccsc1 ZINC001194604247 811094082 /nfs/dbraw/zinc/09/40/82/811094082.db2.gz CPIWLLJMKLERRK-UHFFFAOYSA-N -1 1 267.375 3.166 20 0 CGADMM Cc1ccc(F)cc1NC(=O)c1cc([O-])cnc1Cl ZINC001195297246 811238618 /nfs/dbraw/zinc/23/86/18/811238618.db2.gz HJVGCOWCVIWLSP-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM Cc1cc[nH]c1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001195495688 811262378 /nfs/dbraw/zinc/26/23/78/811262378.db2.gz LTTJBPGFOQTZHI-UHFFFAOYSA-N -1 1 284.237 3.300 20 0 CGADMM [O-]c1cc(F)ccc1NC(=S)NCc1ccc(F)cc1 ZINC001196487229 811349190 /nfs/dbraw/zinc/34/91/90/811349190.db2.gz GBAIPEFKBCKYFI-UHFFFAOYSA-N -1 1 294.326 3.157 20 0 CGADMM Cc1cnc([C@H]([NH2+]Cc2nc(C)ccc2O)C2CC2)s1 ZINC001200802836 811747350 /nfs/dbraw/zinc/74/73/50/811747350.db2.gz KKMYEQGFFLTZJG-CQSZACIVSA-N -1 1 289.404 3.101 20 0 CGADMM O=C(Nc1ccccc1F)Nc1cc(F)cc(F)c1[O-] ZINC001202002381 811993812 /nfs/dbraw/zinc/99/38/12/811993812.db2.gz MXXUSCJLKRJWBM-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM COc1ccccc1NC(=O)Nc1cc(F)c([O-])cc1F ZINC001202128149 812022040 /nfs/dbraw/zinc/02/20/40/812022040.db2.gz QTCXRISBEKJCKX-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM O=C(Nc1cccc(F)c1)Nc1c([O-])cccc1F ZINC001202229519 812044019 /nfs/dbraw/zinc/04/40/19/812044019.db2.gz XJLULEOUIOWJQD-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM CCOc1ccc(-c2nc(-c3cncc(C)c3)no2)c([O-])c1 ZINC001215241094 815497956 /nfs/dbraw/zinc/49/79/56/815497956.db2.gz GFJUVNYQNGKBAN-UHFFFAOYSA-N -1 1 297.314 3.211 20 0 CGADMM C[C@H](NC(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC001202506376 812110514 /nfs/dbraw/zinc/11/05/14/812110514.db2.gz YARSJNYVWUFZOX-JTQLQIEISA-N -1 1 274.295 3.414 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc3c2OCC[C@@H]3O)cc1F ZINC001215576339 815539248 /nfs/dbraw/zinc/53/92/48/815539248.db2.gz WHOOWSBPUPTSIU-ZDUSSCGKSA-N -1 1 293.269 3.230 20 0 CGADMM Cc1c2[nH]cnc2ccc1-c1ccsc1C(=O)[O-] ZINC001205580166 813010261 /nfs/dbraw/zinc/01/02/61/813010261.db2.gz WBSQBEQVGOYMPY-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM C[C@H](NCc1ccc([O-])c(F)c1F)c1cncc(F)c1 ZINC001206223488 813247283 /nfs/dbraw/zinc/24/72/83/813247283.db2.gz AHVKNMMSJWUURA-QMMMGPOBSA-N -1 1 282.265 3.055 20 0 CGADMM CCC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001208888603 813882789 /nfs/dbraw/zinc/88/27/89/813882789.db2.gz ADCOLCGSWUKWNQ-JTQLQIEISA-N -1 1 293.791 3.336 20 0 CGADMM CSc1nc(Nc2cccc3ccncc32)cc(=O)[n-]1 ZINC001210223769 814350919 /nfs/dbraw/zinc/35/09/19/814350919.db2.gz FYYRIKKVILWTBP-UHFFFAOYSA-N -1 1 284.344 3.196 20 0 CGADMM CCc1ncccc1Nc1c([O-])cc(F)cc1F ZINC001210467210 814472918 /nfs/dbraw/zinc/47/29/18/814472918.db2.gz BQMYPHNJAZMQHR-UHFFFAOYSA-N -1 1 250.248 3.371 20 0 CGADMM Cc1oncc1[N-]c1cc(-c2ccccc2O)no1 ZINC001210577942 814538287 /nfs/dbraw/zinc/53/82/87/814538287.db2.gz JVIAPYLYMHEUSY-UHFFFAOYSA-N -1 1 257.249 3.087 20 0 CGADMM COc1cc(Nc2c([O-])cc(F)cc2F)cc(C)n1 ZINC001210780246 814626324 /nfs/dbraw/zinc/62/63/24/814626324.db2.gz LCZGNCPABDLYPI-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM COc1cc(Nc2cc([O-])c(F)c(F)c2)cc(C)n1 ZINC001210781214 814627825 /nfs/dbraw/zinc/62/78/25/814627825.db2.gz ONZOYKJACZVWOG-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccc2ccccc2n1 ZINC001210813606 814641086 /nfs/dbraw/zinc/64/10/86/814641086.db2.gz LTMYPNVUVLQDBB-UHFFFAOYSA-N -1 1 299.315 3.161 20 0 CGADMM Cc1c(Nc2cc(Cl)c([O-])c(Cl)c2)cnn1C ZINC001210923617 814676083 /nfs/dbraw/zinc/67/60/83/814676083.db2.gz WSDXDOURBYNUJM-UHFFFAOYSA-N -1 1 272.135 3.485 20 0 CGADMM O=c1ccc(-c2cccc([O-])c2Cl)cn1C(F)F ZINC001242799983 823136840 /nfs/dbraw/zinc/13/68/40/823136840.db2.gz IQURBCHPTCNWJQ-UHFFFAOYSA-N -1 1 271.650 3.269 20 0 CGADMM CSc1cncc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001211074846 814732893 /nfs/dbraw/zinc/73/28/93/814732893.db2.gz SHTBAZDKBHYXMY-UHFFFAOYSA-N -1 1 298.371 3.438 20 0 CGADMM CC(C)Oc1cnc(F)c([N-]c2noc3cccnc23)c1 ZINC001215779337 815587508 /nfs/dbraw/zinc/58/75/08/815587508.db2.gz INKYOQUFTCZTMJ-UHFFFAOYSA-N -1 1 288.282 3.288 20 0 CGADMM [O-]c1cccc(-c2ncc(F)c3nccnc32)c1Cl ZINC001242800876 823137478 /nfs/dbraw/zinc/13/74/78/823137478.db2.gz LRBCEHNNHVSAJS-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM COC(=O)c1ccc(-c2cccc([O-])c2Cl)nc1F ZINC001242801160 823137536 /nfs/dbraw/zinc/13/75/36/823137536.db2.gz PNSAQVDQXWIFAA-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM COC(=O)Cc1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211338399 814881779 /nfs/dbraw/zinc/88/17/79/814881779.db2.gz DNUHDXVGBAGZAZ-UHFFFAOYSA-N -1 1 278.254 3.053 20 0 CGADMM Cn1cnc2ccc(-c3cc(F)c([O-])cc3F)cc21 ZINC001211340162 814881936 /nfs/dbraw/zinc/88/19/36/814881936.db2.gz STBJBSJROKYOCR-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CCc1cccc(C)c1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001242818022 823144128 /nfs/dbraw/zinc/14/41/28/823144128.db2.gz KYGOXGFYQGNHBF-UHFFFAOYSA-N -1 1 279.339 3.037 20 0 CGADMM Cc1c(Nc2ccc3nccn3c2)cccc1C(=O)[O-] ZINC001216656753 815885709 /nfs/dbraw/zinc/88/57/09/815885709.db2.gz HZBIJXRAWOSFEE-UHFFFAOYSA-N -1 1 267.288 3.085 20 0 CGADMM [O-]c1ccc(F)c(-c2nc(-c3ccccc3)no2)c1F ZINC001216922138 815901979 /nfs/dbraw/zinc/90/19/79/815901979.db2.gz KCGJOJSRGXDNJR-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM C(=C/[C@H](OCc1nn[n-]n1)c1ccccc1)\c1ccccc1 ZINC001223028231 816553787 /nfs/dbraw/zinc/55/37/87/816553787.db2.gz YYXWUSPSJVLQSW-PCUGXKRQSA-N -1 1 292.342 3.171 20 0 CGADMM [O-]c1cc(-c2nccnc2C(F)(F)F)ccc1F ZINC001243049162 823225770 /nfs/dbraw/zinc/22/57/70/823225770.db2.gz QKQXJMXOXBLJOO-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H](C)c1cccnc1 ZINC001225615426 817112271 /nfs/dbraw/zinc/11/22/71/817112271.db2.gz APEJOLUDTOSPIS-LLVKDONJSA-N -1 1 257.289 3.130 20 0 CGADMM CC(=O)c1ccc([O-])cc1OC[C@@H]1CCc2ccccc2O1 ZINC001225617217 817113738 /nfs/dbraw/zinc/11/37/38/817113738.db2.gz VZHYOSFQZLNCDH-HNNXBMFYSA-N -1 1 298.338 3.367 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CCCC[C@@H]1C ZINC001225680433 817139467 /nfs/dbraw/zinc/13/94/67/817139467.db2.gz ZVHUGONCMLUGQW-ZANVPECISA-N -1 1 264.321 3.258 20 0 CGADMM C[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1cccc(Cl)c1 ZINC001225766490 817171604 /nfs/dbraw/zinc/17/16/04/817171604.db2.gz UJSCLGDUJPWNIF-ZETCQYMHSA-N -1 1 282.752 3.264 20 0 CGADMM C[C@H]1COC[C@@H]1Oc1ccc(C(=O)c2ccc([O-])cc2)cc1 ZINC001225810778 817185572 /nfs/dbraw/zinc/18/55/72/817185572.db2.gz PUCFCWPGHYMYCY-SJCJKPOMSA-N -1 1 298.338 3.037 20 0 CGADMM CCCOC[C@H](C)Oc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001226184744 817292684 /nfs/dbraw/zinc/29/26/84/817292684.db2.gz KBCBCXWFFJDIEK-LBPRGKRZSA-N -1 1 288.347 3.043 20 0 CGADMM Cc1cc(OC(C)C)cc(C)c1COc1cnc[n-]c1=O ZINC001227051166 817544443 /nfs/dbraw/zinc/54/44/43/817544443.db2.gz HTJMWEAYIYGOSG-UHFFFAOYSA-N -1 1 288.347 3.165 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@H](C)c2ccccc2F)c1Cl ZINC001227111631 817560962 /nfs/dbraw/zinc/56/09/62/817560962.db2.gz OPPRTUYCYLATRY-MRVPVSSYSA-N -1 1 282.702 3.423 20 0 CGADMM COCC(=O)c1ccc([O-])cc1OC1CCC(C)CC1 ZINC001227169392 817578623 /nfs/dbraw/zinc/57/86/23/817578623.db2.gz SRTPTWSVPFYSJM-UHFFFAOYSA-N -1 1 278.348 3.179 20 0 CGADMM CC[C@@H](C)[C@@H](C)Oc1cc([O-])ccc1C(=O)COC ZINC001227172546 817579827 /nfs/dbraw/zinc/57/98/27/817579827.db2.gz PEQXRWURNNFJSX-GHMZBOCLSA-N -1 1 266.337 3.035 20 0 CGADMM CCOc1ccc([C@@H](C)Oc2[n-]c(=S)ncc2F)cc1 ZINC001227382192 817635701 /nfs/dbraw/zinc/63/57/01/817635701.db2.gz BBHRIONDNVWYSI-SECBINFHSA-N -1 1 294.351 3.443 20 0 CGADMM COC(C[C@@H](C)Oc1cc(Cl)c([O-])cc1Cl)OC ZINC001227641129 817686148 /nfs/dbraw/zinc/68/61/48/817686148.db2.gz KGKXMEXXNKGJEW-SSDOTTSWSA-N -1 1 295.162 3.475 20 0 CGADMM [O-]c1cc(Cl)c(OC2CC3(COC3)C2)cc1Cl ZINC001227642236 817687534 /nfs/dbraw/zinc/68/75/34/817687534.db2.gz WZPYSSBSTGISAU-UHFFFAOYSA-N -1 1 275.131 3.257 20 0 CGADMM Cc1ccc2c(c1)CC[C@@H]2Oc1[n-]c(=O)nc2c1CO[C@H]2C ZINC001227710570 817701014 /nfs/dbraw/zinc/70/10/14/817701014.db2.gz MKTALKIKNZNZLZ-HZMBPMFUSA-N -1 1 298.342 3.148 20 0 CGADMM S=c1nc2cnccc2c(O[C@@H]2CCc3cccnc32)[n-]1 ZINC001227886533 817743947 /nfs/dbraw/zinc/74/39/47/817743947.db2.gz VLKBXFJSYVAQFB-GFCCVEGCSA-N -1 1 296.355 3.149 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1-c1cc(N2CCCC2)ccn1 ZINC001243201655 823287988 /nfs/dbraw/zinc/28/79/88/823287988.db2.gz YZHAHTJDWNZGBR-UHFFFAOYSA-N -1 1 282.343 3.355 20 0 CGADMM CSc1nc(O[C@H]2CCc3cc(C)ccc32)cc(=O)[n-]1 ZINC001228090491 817809045 /nfs/dbraw/zinc/80/90/45/817809045.db2.gz LTUHJJSIOFNPAB-LBPRGKRZSA-N -1 1 288.372 3.279 20 0 CGADMM CCCCC[C@H]1CC[C@H](Oc2nc(C(=O)OC)n[n-]2)CC1 ZINC001228310759 817872483 /nfs/dbraw/zinc/87/24/83/817872483.db2.gz IFXKOGSVLGJBCN-HAQNSBGRSA-N -1 1 295.383 3.109 20 0 CGADMM CCCCC[C@H]1CC[C@H](Oc2n[n-]c(C(=O)OC)n2)CC1 ZINC001228310759 817872493 /nfs/dbraw/zinc/87/24/93/817872493.db2.gz IFXKOGSVLGJBCN-HAQNSBGRSA-N -1 1 295.383 3.109 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1OC1CCCCC1 ZINC001228560657 817939083 /nfs/dbraw/zinc/93/90/83/817939083.db2.gz RREZPZVDBPUDDO-UHFFFAOYSA-N -1 1 264.321 3.402 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)c1ccncc1 ZINC001228559773 817939412 /nfs/dbraw/zinc/93/94/12/817939412.db2.gz GYKUZGXGUFWJRO-SNVBAGLBSA-N -1 1 287.315 3.226 20 0 CGADMM [O-]c1cccnc1-c1ncccc1OC1CCSCC1 ZINC001231199898 818056209 /nfs/dbraw/zinc/05/62/09/818056209.db2.gz HHUGSJIMRRDWOC-UHFFFAOYSA-N -1 1 288.372 3.124 20 0 CGADMM C[C@@H](Oc1cccnc1-c1ncccc1[O-])c1nccs1 ZINC001231201527 818056810 /nfs/dbraw/zinc/05/68/10/818056810.db2.gz ARKCNNYHUQZJDM-SNVBAGLBSA-N -1 1 299.355 3.446 20 0 CGADMM [O-]c1cccnc1-c1ncccc1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001231203664 818057055 /nfs/dbraw/zinc/05/70/55/818057055.db2.gz LGTMHCXYYNKITR-TYNCELHUSA-N -1 1 282.343 3.417 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccccc1OC1CCOCC1 ZINC001231228325 818063162 /nfs/dbraw/zinc/06/31/62/818063162.db2.gz DMLCDYVIWOMYDB-UHFFFAOYSA-N -1 1 298.338 3.181 20 0 CGADMM C[C@@]1(F)CCN(Cc2ccc(Cl)c([O-])c2)C[C@@H]1F ZINC001231733433 818162092 /nfs/dbraw/zinc/16/20/92/818162092.db2.gz UCDFDNGCMOTGGR-QWHCGFSZSA-N -1 1 275.726 3.318 20 0 CGADMM C[C@@]1(F)CCN(Cc2cccc([O-])c2Cl)C[C@H]1F ZINC001232784875 818438779 /nfs/dbraw/zinc/43/87/79/818438779.db2.gz XFORQBGESOTTMZ-DGCLKSJQSA-N -1 1 275.726 3.318 20 0 CGADMM [O-]c1cccc(CN2CC[C@@H](CF)C(F)(F)C2)c1Cl ZINC001232784224 818439312 /nfs/dbraw/zinc/43/93/12/818439312.db2.gz IPISCVQXBLQRRQ-JTQLQIEISA-N -1 1 293.716 3.472 20 0 CGADMM [O-]c1cccc(CN2CC3(C2)CC(F)(F)C3)c1Cl ZINC001232784483 818440063 /nfs/dbraw/zinc/44/00/63/818440063.db2.gz NBCSICJMGIHSTI-UHFFFAOYSA-N -1 1 273.710 3.277 20 0 CGADMM [O-]c1cccc(CN(CCO)Cc2cccs2)c1Cl ZINC001232787924 818440942 /nfs/dbraw/zinc/44/09/42/818440942.db2.gz WMUSBLSFBATZLI-UHFFFAOYSA-N -1 1 297.807 3.102 20 0 CGADMM [O-]c1cc(CN2CCCCC(F)(F)C2)cc(F)c1F ZINC001232968519 818485397 /nfs/dbraw/zinc/48/53/97/818485397.db2.gz DHGCXSJSAXIUMH-UHFFFAOYSA-N -1 1 277.261 3.292 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCc2sccc2C1 ZINC001233036615 818505799 /nfs/dbraw/zinc/50/57/99/818505799.db2.gz PRHPIHBGDOBWPK-UHFFFAOYSA-N -1 1 280.780 3.060 20 0 CGADMM Nc1ccc2cccc(-c3ccc([O-])c(F)c3F)c2n1 ZINC001243341363 823355604 /nfs/dbraw/zinc/35/56/04/823355604.db2.gz OXZDMBZCRNKZAR-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM [O-]c1ccc(-c2ccc(N3CCCC3)nc2)c(F)c1F ZINC001243341660 823355468 /nfs/dbraw/zinc/35/54/68/823355468.db2.gz BPFDYOFDJQCUAI-UHFFFAOYSA-N -1 1 276.286 3.333 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](CC)CC(=O)OC ZINC001233650690 818669934 /nfs/dbraw/zinc/66/99/34/818669934.db2.gz PWCMRZLSOAGMIA-LBPRGKRZSA-N -1 1 294.347 3.096 20 0 CGADMM [O-]c1ccc(-c2cccc3nccnc32)c(F)c1F ZINC001243341980 823355862 /nfs/dbraw/zinc/35/58/62/823355862.db2.gz GMTCPVCXMZWXDQ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOC(=O)c1cnc(C)c(-c2ccc([O-])c(F)c2F)c1 ZINC001243341458 823356167 /nfs/dbraw/zinc/35/61/67/823356167.db2.gz QTDRFEFYBUFYAE-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COC(=O)c1ccc(-c2ccc([O-])c(F)c2F)cc1F ZINC001243342410 823356939 /nfs/dbraw/zinc/35/69/39/823356939.db2.gz MRGIZPXGMPHRPS-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM Cc1nc2cc(-c3ccc([O-])c(F)c3F)cnc2o1 ZINC001243345415 823360594 /nfs/dbraw/zinc/36/05/94/823360594.db2.gz QWIMVXSPHNBORJ-UHFFFAOYSA-N -1 1 262.215 3.182 20 0 CGADMM CC[C@@H]1OC(=O)C(Oc2c(Cl)ccc([O-])c2F)=C1C ZINC001234265496 818821414 /nfs/dbraw/zinc/82/14/14/818821414.db2.gz WGEJGCFHQPCLKE-VIFPVBQESA-N -1 1 286.686 3.173 20 0 CGADMM O=C([O-])c1c(Cl)ccc(-c2cccn3cncc23)c1F ZINC001236165474 819351697 /nfs/dbraw/zinc/35/16/97/819351697.db2.gz ZSVSVQQSGMDHKM-UHFFFAOYSA-N -1 1 290.681 3.492 20 0 CGADMM COc1cccc(OC)c1-c1cc(F)cc(F)c1[O-] ZINC001243506246 823424011 /nfs/dbraw/zinc/42/40/11/823424011.db2.gz RJOHIOMKBCBDPV-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM CCOC(=O)c1ccc(-c2cc(F)cc(F)c2[O-])c(C)n1 ZINC001243506385 823424042 /nfs/dbraw/zinc/42/40/42/823424042.db2.gz UWQOFPCGSBJBIH-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COc1ccnc2cc(-c3cc(F)cc(F)c3[O-])cnc21 ZINC001243506652 823424084 /nfs/dbraw/zinc/42/40/84/823424084.db2.gz HJYAWTURHPDBQK-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM COCc1ccccc1-c1cc(F)cc(F)c1[O-] ZINC001243506276 823424184 /nfs/dbraw/zinc/42/41/84/823424184.db2.gz RUNHHUPTNNPQQC-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM CCC(=O)Nc1cc(-c2cc(F)cc(F)c2[O-])ccn1 ZINC001243506640 823424288 /nfs/dbraw/zinc/42/42/88/823424288.db2.gz GUZIXYSOWWVRGX-UHFFFAOYSA-N -1 1 278.258 3.081 20 0 CGADMM [O-]c1c(F)cc(CN2CCCC23CC3)cc1Cl ZINC001237989716 819903340 /nfs/dbraw/zinc/90/33/40/819903340.db2.gz JGCAAZKGXBASEM-UHFFFAOYSA-N -1 1 255.720 3.313 20 0 CGADMM O=C1Cc2cccc(-c3ccc(Cl)c([O-])c3)c2N1 ZINC001243579179 823453143 /nfs/dbraw/zinc/45/31/43/823453143.db2.gz XPMRBMRNGSZVJG-UHFFFAOYSA-N -1 1 259.692 3.207 20 0 CGADMM [O-]c1cc(-c2nncc3cnccc32)ccc1Cl ZINC001243576234 823451057 /nfs/dbraw/zinc/45/10/57/823451057.db2.gz KJSSKPPSRVNMDC-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM [O-]c1cc(-c2cncc(N3CCCC3)n2)ccc1Cl ZINC001243576208 823451473 /nfs/dbraw/zinc/45/14/73/823451473.db2.gz JFAQNNFEIVJLHJ-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM COc1cnc(F)c(-c2ccc(Cl)c([O-])c2)c1 ZINC001243577839 823451842 /nfs/dbraw/zinc/45/18/42/823451842.db2.gz GRXMGDOVDNQPTO-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM NC(=O)Nc1ccccc1-c1ccc(Cl)c([O-])c1 ZINC001243577666 823452354 /nfs/dbraw/zinc/45/23/54/823452354.db2.gz ATYOAQKSGOVOGX-UHFFFAOYSA-N -1 1 262.696 3.203 20 0 CGADMM O=C1Cc2cc(F)c(-c3ccc(Cl)c([O-])c3)cc2N1 ZINC001243582056 823454027 /nfs/dbraw/zinc/45/40/27/823454027.db2.gz WQQKYMQRLWQABH-UHFFFAOYSA-N -1 1 277.682 3.346 20 0 CGADMM CON(C)C(=O)c1cccc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243583324 823454737 /nfs/dbraw/zinc/45/47/37/823454737.db2.gz LKHAICNUAMHXDU-UHFFFAOYSA-N -1 1 291.734 3.346 20 0 CGADMM CC(C)Oc1ncc(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243582520 823455005 /nfs/dbraw/zinc/45/50/05/823455005.db2.gz UNFYDGWXELHVKV-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1ncnc2cc[nH]c21 ZINC001243604364 823463984 /nfs/dbraw/zinc/46/39/84/823463984.db2.gz FULIMGRLMQTWJP-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM COC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2[O-])nc1 ZINC001243607474 823465967 /nfs/dbraw/zinc/46/59/67/823465967.db2.gz AYOBGKNYWIPSLJ-UHFFFAOYSA-N -1 1 297.232 3.260 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc(C)c3)ccc2[n-]1 ZINC001239490524 820341766 /nfs/dbraw/zinc/34/17/66/820341766.db2.gz YKYIXHIOLKQTNQ-UHFFFAOYSA-N -1 1 266.300 3.325 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc(C)c3)cc2[n-]1 ZINC001239490524 820341778 /nfs/dbraw/zinc/34/17/78/820341778.db2.gz YKYIXHIOLKQTNQ-UHFFFAOYSA-N -1 1 266.300 3.325 20 0 CGADMM [O-]c1ccc(F)cc1-c1ccnc(-c2nccs2)n1 ZINC001240696385 821252548 /nfs/dbraw/zinc/25/25/48/821252548.db2.gz OMBNOWRQBWLGEI-UHFFFAOYSA-N -1 1 273.292 3.112 20 0 CGADMM CCCNc1nc(-c2ccc([O-])c(F)c2)ncc1C ZINC001240783730 821323181 /nfs/dbraw/zinc/32/31/81/821323181.db2.gz RYWNGEYHDKPPHF-UHFFFAOYSA-N -1 1 261.300 3.119 20 0 CGADMM COC(=O)c1c(F)ccc(F)c1-c1ccc([O-])c(F)c1 ZINC001240788558 821331121 /nfs/dbraw/zinc/33/11/21/821331121.db2.gz HYNJFPQYPOLMFO-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1-c1cccc2cncn21 ZINC001241003314 821481519 /nfs/dbraw/zinc/48/15/19/821481519.db2.gz YAZMORPOMOFMKW-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM [O-]c1cc(F)c(-c2cnc3ccc(F)cc3n2)c(F)c1 ZINC001241116569 821570917 /nfs/dbraw/zinc/57/09/17/821570917.db2.gz BZCUVLCMUDVBAS-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM [O-]c1cc(F)c(-c2nc(C3CC3)nc3[nH]ccc32)c(F)c1 ZINC001241118277 821573531 /nfs/dbraw/zinc/57/35/31/821573531.db2.gz BDKGZDBJKFFLOQ-UHFFFAOYSA-N -1 1 287.269 3.438 20 0 CGADMM COC(=O)c1c(C)cc(C)nc1-c1c(F)cc([O-])cc1F ZINC001241118691 821574483 /nfs/dbraw/zinc/57/44/83/821574483.db2.gz VBEXIILDFUGPPG-UHFFFAOYSA-N -1 1 293.269 3.136 20 0 CGADMM CCOc1cccnc1-c1c(F)cc([O-])cc1F ZINC001241119862 821575854 /nfs/dbraw/zinc/57/58/54/821575854.db2.gz UIWFNLRWNXJRAZ-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM [O-]c1cc(F)c(-c2cc(C3CCC3)ncn2)c(F)c1 ZINC001241120283 821575954 /nfs/dbraw/zinc/57/59/54/821575954.db2.gz YDKYWWSGPKTAJR-UHFFFAOYSA-N -1 1 262.259 3.395 20 0 CGADMM CCS(=O)(=O)c1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241121976 821578701 /nfs/dbraw/zinc/57/87/01/821578701.db2.gz GORYJEAFLYPUNG-UHFFFAOYSA-N -1 1 298.310 3.131 20 0 CGADMM O=C1CCCN1c1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241122415 821579077 /nfs/dbraw/zinc/57/90/77/821579077.db2.gz OEXSUNLTIFPSHY-UHFFFAOYSA-N -1 1 289.281 3.464 20 0 CGADMM Cc1nc2cncc(-c3c(F)cc([O-])cc3F)c2o1 ZINC001241122819 821580167 /nfs/dbraw/zinc/58/01/67/821580167.db2.gz MUUHIDCZEGACQO-UHFFFAOYSA-N -1 1 262.215 3.182 20 0 CGADMM Cc1cc2nc[nH]c2cc1-c1ccc(C(=O)[O-])c(F)c1 ZINC001241184512 821621294 /nfs/dbraw/zinc/62/12/94/821621294.db2.gz COSVEVGOEBJFJK-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM CC[C@@H](C)Oc1nccnc1-c1c(F)ccc([O-])c1F ZINC001241289978 821705965 /nfs/dbraw/zinc/70/59/65/821705965.db2.gz HXOSNOKPPSIQLC-MRVPVSSYSA-N -1 1 280.274 3.305 20 0 CGADMM CCCc1nccnc1-c1c(F)ccc([O-])c1F ZINC001241290637 821706776 /nfs/dbraw/zinc/70/67/76/821706776.db2.gz CDVNBOJGPJPQRM-UHFFFAOYSA-N -1 1 250.248 3.080 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc3ncsc32)c1F ZINC001241289348 821707043 /nfs/dbraw/zinc/70/70/43/821707043.db2.gz RQRLWWQJFAMWHQ-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM CC(C)c1cc(-c2c(F)ccc([O-])c2F)ncn1 ZINC001241290709 821707723 /nfs/dbraw/zinc/70/77/23/821707723.db2.gz BRDJCBQOBKELGL-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(-c3ccncc3)nn2)c1F ZINC001241290932 821708147 /nfs/dbraw/zinc/70/81/47/821708147.db2.gz XRTOEBLSLBMWAR-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1cnc2cc[nH]c2n1 ZINC001242125982 822886182 /nfs/dbraw/zinc/88/61/82/822886182.db2.gz DNXGNYIEKCOTHA-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1cc2nccnc2cn1 ZINC001242131487 822888372 /nfs/dbraw/zinc/88/83/72/822888372.db2.gz LIBHAZPNOMVGKI-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM CCOc1cncc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242147576 822894277 /nfs/dbraw/zinc/89/42/77/822894277.db2.gz AUWQNFVGHISXNL-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM Nc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ncc1F ZINC001242152275 822895711 /nfs/dbraw/zinc/89/57/11/822895711.db2.gz BGWYLFIFIWRZJE-UHFFFAOYSA-N -1 1 272.201 3.194 20 0 CGADMM NC(=O)c1ccc(F)c(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242166795 822900715 /nfs/dbraw/zinc/90/07/15/822900715.db2.gz YNUKKJQTFFHXIX-UHFFFAOYSA-N -1 1 299.223 3.316 20 0 CGADMM Cc1c(-c2cccc(Cl)c2[O-])cnc2nccnc12 ZINC001242364578 822968013 /nfs/dbraw/zinc/96/80/13/822968013.db2.gz OHRYNHSYGGXCQI-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM O=C1NCc2cc(-c3cccc(Cl)c3[O-])ccc2N1 ZINC001242367072 822969545 /nfs/dbraw/zinc/96/95/45/822969545.db2.gz VXBVGHCBABIKLB-UHFFFAOYSA-N -1 1 274.707 3.348 20 0 CGADMM CCOC(=O)c1cc(-c2cccc(Cl)c2[O-])cnc1F ZINC001242368121 822970162 /nfs/dbraw/zinc/97/01/62/822970162.db2.gz YGYSJDQANYFWMZ-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM Cc1cc2[nH]cnc2cc1-c1cccc(C(=O)[O-])c1F ZINC001242380907 822974968 /nfs/dbraw/zinc/97/49/68/822974968.db2.gz XTZVEJMRFCLPQM-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM CON(Cc1ccc(C)o1)C(=O)c1cc(Cl)ccc1[O-] ZINC001471953193 937075940 /nfs/dbraw/zinc/07/59/40/937075940.db2.gz IHORKWGRFMTERV-UHFFFAOYSA-N -1 1 295.722 3.151 20 0 CGADMM C[C@H](CCCCC(=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC001353944263 937084165 /nfs/dbraw/zinc/08/41/65/937084165.db2.gz BWJYDWKKJNTPHP-LLVKDONJSA-N -1 1 282.384 3.095 20 0 CGADMM Cc1noc(C)c1[N-]C(=O)c1ocnc1-c1ccccc1 ZINC001356524149 937160835 /nfs/dbraw/zinc/16/08/35/937160835.db2.gz BPLWDHZWCVQQCD-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM C[C@H](CCC1CCCCC1)NC(=O)c1ccc([O-])cn1 ZINC001136773398 928181828 /nfs/dbraw/zinc/18/18/28/928181828.db2.gz ADEMSPCEPHICRA-GFCCVEGCSA-N -1 1 276.380 3.266 20 0 CGADMM Cc1cnc(SCc2ccc(OC(F)F)cc2)[n-]c1=O ZINC001363187605 937230703 /nfs/dbraw/zinc/23/07/03/937230703.db2.gz NHMJSHZMMMGGTQ-UHFFFAOYSA-N -1 1 298.314 3.384 20 0 CGADMM CC(C)CC[C@@H](C)NC(=O)c1cccc([O-])c1F ZINC001440889020 937334465 /nfs/dbraw/zinc/33/44/65/937334465.db2.gz DFJUIEVKFKDZLT-SNVBAGLBSA-N -1 1 253.317 3.086 20 0 CGADMM CCCC[C@H](CC)CNC(=O)c1ncc(C)cc1[O-] ZINC001441065135 937335626 /nfs/dbraw/zinc/33/56/26/937335626.db2.gz ITLOIYBESLBOSR-LBPRGKRZSA-N -1 1 264.369 3.042 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cc(C)ccn2)c1 ZINC001441465701 937338262 /nfs/dbraw/zinc/33/82/62/937338262.db2.gz OUIVTOSUORYGEB-UHFFFAOYSA-N -1 1 274.345 3.070 20 0 CGADMM Cc1cccnc1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001441470938 937338476 /nfs/dbraw/zinc/33/84/76/937338476.db2.gz YATGMLKBYOBCES-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM CC[C@H](NC(=O)c1ncccc1[O-])c1ccc(Cl)s1 ZINC001444141581 937350850 /nfs/dbraw/zinc/35/08/50/937350850.db2.gz QZCCQNOGFBQVNH-QMMMGPOBSA-N -1 1 296.779 3.383 20 0 CGADMM CC(C)(CNC(=O)c1cccc([O-])c1F)C1CCCC1 ZINC001446238662 937362624 /nfs/dbraw/zinc/36/26/24/937362624.db2.gz NMCQETKXHQXZBS-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cc(C)ccc2O)c1 ZINC001447273010 937367863 /nfs/dbraw/zinc/36/78/63/937367863.db2.gz GMOINUSORPKRPE-UHFFFAOYSA-N -1 1 289.356 3.380 20 0 CGADMM COc1nccc2c(NC(=O)c3ccccc3[O-])cccc21 ZINC001451059686 937389112 /nfs/dbraw/zinc/38/91/12/937389112.db2.gz AQDDAPHYZMDFJQ-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cnn3ccccc23)c([O-])c1 ZINC001454252517 937407791 /nfs/dbraw/zinc/40/77/91/937407791.db2.gz VZQWMXPAGHJUSC-UHFFFAOYSA-N -1 1 295.342 3.416 20 0 CGADMM C/C(=C/C(=O)Nc1cccc(F)c1[O-])c1ccco1 ZINC001454770806 937412100 /nfs/dbraw/zinc/41/21/00/937412100.db2.gz OLURCDXYTFYZGR-HJWRWDBZSA-N -1 1 261.252 3.166 20 0 CGADMM O=C(Nc1cc(F)cc(OC(F)F)c1)c1ccccc1[O-] ZINC001455005669 937414048 /nfs/dbraw/zinc/41/40/48/937414048.db2.gz IUHLJSJDFYGEJL-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1C[C@@H]1C1CCCC1 ZINC001455451732 937417821 /nfs/dbraw/zinc/41/78/21/937417821.db2.gz PWXJWYOYSKCZLY-OLZOCXBDSA-N -1 1 293.794 3.488 20 0 CGADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001455451820 937418146 /nfs/dbraw/zinc/41/81/46/937418146.db2.gz RGVXQZGAMDQYAK-IAQYHMDHSA-N -1 1 281.783 3.344 20 0 CGADMM CCc1cccnc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001457716223 937444742 /nfs/dbraw/zinc/44/47/42/937444742.db2.gz QLMONQDKZACZJJ-UHFFFAOYSA-N -1 1 290.750 3.184 20 0 CGADMM Cc1cnc(C)nc1NCc1ccc([O-])c(Cl)c1 ZINC001458568590 937469343 /nfs/dbraw/zinc/46/93/43/937469343.db2.gz CTXPYHMBGSOPIS-UHFFFAOYSA-N -1 1 263.728 3.065 20 0 CGADMM CC(C)C[C@@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229132638 932101808 /nfs/dbraw/zinc/10/18/08/932101808.db2.gz VLBPUIRYZSHMKF-SNVBAGLBSA-N -1 1 262.305 3.312 20 0 CGADMM O=C(Cc1ccc(O)cc1)c1ccc([O-])cc1OC1CCC1 ZINC001229432676 932149691 /nfs/dbraw/zinc/14/96/91/932149691.db2.gz MSCCTXASTYTLPB-UHFFFAOYSA-N -1 1 298.338 3.455 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)C(F)(F)F ZINC001229474176 932157457 /nfs/dbraw/zinc/15/74/57/932157457.db2.gz BYBVTRXOVAVCKX-SSDOTTSWSA-N -1 1 262.227 3.315 20 0 CGADMM CCC[C@@H](CC(=O)OC)Oc1cc([O-])ccc1C(=O)CC ZINC001229474540 932157524 /nfs/dbraw/zinc/15/75/24/932157524.db2.gz HLMCISDYPNEQPX-LBPRGKRZSA-N -1 1 294.347 3.096 20 0 CGADMM Cc1cc([S-])ccc1OC1CN(C(C)(C)C)C1 ZINC001229635307 932182736 /nfs/dbraw/zinc/18/27/36/932182736.db2.gz VHLBFSNIXHWLNV-UHFFFAOYSA-N -1 1 251.395 3.145 20 0 CGADMM CC[C@@H](COC)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231045022 932664654 /nfs/dbraw/zinc/66/46/54/932664654.db2.gz RLZWQHKPCWXXLF-LURJTMIESA-N -1 1 290.150 3.069 20 0 CGADMM Cc1cnc(CSc2nc(-c3ccccc3)cc(=O)[n-]2)o1 ZINC001307403937 932947262 /nfs/dbraw/zinc/94/72/62/932947262.db2.gz HVVDDEBLPKVDTN-UHFFFAOYSA-N -1 1 299.355 3.438 20 0 CGADMM CC[C@H]1CN(Cc2ccc([O-])c(F)c2F)[C@@H](CC)CO1 ZINC001308851940 933190928 /nfs/dbraw/zinc/19/09/28/933190928.db2.gz OBLDAEBBFBNYJR-RYUDHWBXSA-N -1 1 285.334 3.060 20 0 CGADMM CC(C)C[C@@H]1C[C@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001312842480 933399945 /nfs/dbraw/zinc/39/99/45/933399945.db2.gz MTFMNZZAPPQWFX-DGCLKSJQSA-N -1 1 296.798 3.279 20 0 CGADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001464077908 937685781 /nfs/dbraw/zinc/68/57/81/937685781.db2.gz NMYHARMMAMHGAS-IUODEOHRSA-N -1 1 289.375 3.212 20 0 CGADMM CC1(NC(=O)c2ncc3ccccc3c2[O-])CCCCC1 ZINC001464377802 937689661 /nfs/dbraw/zinc/68/96/61/937689661.db2.gz IRYVBYPBAWGUQQ-UHFFFAOYSA-N -1 1 284.359 3.393 20 0 CGADMM CC1CCC(CNC(=O)c2ncc3ccccc3c2[O-])CC1 ZINC001464477745 937691219 /nfs/dbraw/zinc/69/12/19/937691219.db2.gz YRXOUIRRTGBPET-UHFFFAOYSA-N -1 1 298.386 3.497 20 0 CGADMM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1ncccc1[O-] ZINC001466709321 937711771 /nfs/dbraw/zinc/71/17/71/937711771.db2.gz YSYZZNVFIHLRDN-WBMJQRKESA-N -1 1 296.370 3.231 20 0 CGADMM CC1(C)CCC[C@@H](CNC(=O)c2ccc(F)c([O-])c2)C1 ZINC001469045396 937734848 /nfs/dbraw/zinc/73/48/48/937734848.db2.gz HRMUOUYOSXSJDS-LLVKDONJSA-N -1 1 279.355 3.478 20 0 CGADMM CCc1ccc2nc(-c3cscn3)[n-]c(=O)c2c1 ZINC001321104896 934150347 /nfs/dbraw/zinc/15/03/47/934150347.db2.gz JFRAVAFENUJZIN-UHFFFAOYSA-N -1 1 257.318 3.021 20 0 CGADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001322515009 934310371 /nfs/dbraw/zinc/31/03/71/934310371.db2.gz YWRHLJXFTKHADH-UWVGGRQHSA-N -1 1 298.180 3.385 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001471107004 937761526 /nfs/dbraw/zinc/76/15/26/937761526.db2.gz RCYGLNSQZLSNFD-HUUCEWRRSA-N -1 1 296.370 3.162 20 0 CGADMM O=C(Nc1cccc(-c2ccon2)c1)c1ccccc1[O-] ZINC001472037481 937772123 /nfs/dbraw/zinc/77/21/23/937772123.db2.gz OAIJSSLUDLAYGS-UHFFFAOYSA-N -1 1 280.283 3.300 20 0 CGADMM Cc1cccc(F)c1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001326839891 935011951 /nfs/dbraw/zinc/01/19/51/935011951.db2.gz BWBREHYXANOBPJ-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM O=C(CC(C1CC1)C1CC1)NCc1ccc([O-])c(Cl)c1 ZINC001331873452 935417111 /nfs/dbraw/zinc/41/71/11/935417111.db2.gz NECCOUOGNCEQJN-UHFFFAOYSA-N -1 1 293.794 3.488 20 0 CGADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ncccc1F ZINC001528154519 938065821 /nfs/dbraw/zinc/06/58/21/938065821.db2.gz VEQYULWUSUFUEG-UHFFFAOYSA-N -1 1 297.289 3.436 20 0 CGADMM COc1ccc(Cl)cc1NC(=O)c1ccc(F)c([O-])c1 ZINC001538817121 938120957 /nfs/dbraw/zinc/12/09/57/938120957.db2.gz QLOVEAFBEFWDPT-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM O=C(NCc1ccc(F)cc1)c1ncc2ccccc2c1[O-] ZINC001540282237 938129450 /nfs/dbraw/zinc/12/94/50/938129450.db2.gz YPJLCJUGSTUKHZ-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM C[C@@H](CCc1ccccc1)NC(=O)c1ccc(F)c([O-])c1 ZINC001540325812 938130149 /nfs/dbraw/zinc/13/01/49/938130149.db2.gz KYTRUIKVUSRXIR-LBPRGKRZSA-N -1 1 287.334 3.282 20 0 CGADMM O=C(Nc1ccc2ccccc2n1)c1cccc([O-])c1F ZINC001540839341 938134346 /nfs/dbraw/zinc/13/43/46/938134346.db2.gz LSYJLMXPBZJVLR-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCCc2cc(F)ccc21 ZINC001542082139 938135133 /nfs/dbraw/zinc/13/51/33/938135133.db2.gz QOAJTUOZIUXKDP-UHFFFAOYSA-N -1 1 289.281 3.263 20 0 CGADMM O=C(NCc1ccc(F)c(Cl)c1)c1cccc([O-])c1F ZINC001542667573 938136598 /nfs/dbraw/zinc/13/65/98/938136598.db2.gz CZRRCPNYVTYNMR-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM C[C@H](CN(C)C(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001542815120 938136921 /nfs/dbraw/zinc/13/69/21/938136921.db2.gz AVHAHKMVLXROKF-GFCCVEGCSA-N -1 1 287.334 3.407 20 0 CGADMM CC(C)N(Cc1ccco1)C(=O)c1ccc(F)c([O-])c1 ZINC001544232532 938143991 /nfs/dbraw/zinc/14/39/91/938143991.db2.gz HVIMAXXSECTQBR-UHFFFAOYSA-N -1 1 277.295 3.175 20 0 CGADMM CCc1ccc(O)c(NC(=O)c2cccc([O-])c2F)c1 ZINC001547362648 938151177 /nfs/dbraw/zinc/15/11/77/938151177.db2.gz MFMIQGHZXOUOQJ-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM O=C(CCc1cccs1)Nc1cc(F)cc(F)c1[O-] ZINC001557086523 938207723 /nfs/dbraw/zinc/20/77/23/938207723.db2.gz UUXLEKVLQRTKJE-UHFFFAOYSA-N -1 1 283.299 3.303 20 0 CGADMM Cc1ccc(OCC(=O)Nc2cccc(F)c2[O-])cc1C ZINC001557957866 938212726 /nfs/dbraw/zinc/21/27/26/938212726.db2.gz VYCIMPARQKREBW-UHFFFAOYSA-N -1 1 289.306 3.166 20 0 CGADMM [O-]c1ccc(CN[C@@H]2CCCc3cccnc32)c(F)c1F ZINC001561031808 938290692 /nfs/dbraw/zinc/29/06/92/938290692.db2.gz DTKCEDHGBFUKQT-GFCCVEGCSA-N -1 1 290.313 3.233 20 0 CGADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC001565660367 960798527 /nfs/dbraw/zinc/79/85/27/960798527.db2.gz VDMDFHWEZWURLR-RYUDHWBXSA-N -1 1 279.355 3.476 20 0 CGADMM Cc1ccccc1[C@H](NC(=O)c1ccc([O-])cn1)C(C)C ZINC001565695180 960812513 /nfs/dbraw/zinc/81/25/13/960812513.db2.gz IKWCQSVOZBMSCJ-MRXNPFEDSA-N -1 1 284.359 3.223 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCCc2ccccc2CC1 ZINC001569179839 961715927 /nfs/dbraw/zinc/71/59/27/961715927.db2.gz MLVDBQZMDFJAPB-UHFFFAOYSA-N -1 1 299.345 3.162 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc2cc(C)ccc2s1 ZINC001569835831 961850716 /nfs/dbraw/zinc/85/07/16/961850716.db2.gz GTJRHVNOIMUSRS-UHFFFAOYSA-N -1 1 287.344 3.199 20 0 CGADMM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc([O-])cn1 ZINC001570015517 961890177 /nfs/dbraw/zinc/89/01/77/961890177.db2.gz ZIDDSISOBQQHPZ-XJKCOSOUSA-N -1 1 296.370 3.194 20 0 CGADMM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cccc([O-])c1F ZINC001570095546 961908737 /nfs/dbraw/zinc/90/87/37/961908737.db2.gz UIILYDVXXCKIRP-MEBBXXQBSA-N -1 1 265.328 3.230 20 0 CGADMM C=COc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC001570209841 961937348 /nfs/dbraw/zinc/93/73/48/961937348.db2.gz BIOHJAONALNPAT-UHFFFAOYSA-N -1 1 273.263 3.306 20 0 CGADMM CC[C@@H](CNC(=O)c1cccc([O-])c1F)CC(F)(F)F ZINC001570381575 961963522 /nfs/dbraw/zinc/96/35/22/961963522.db2.gz KKEJJFCSPKGJHG-MRVPVSSYSA-N -1 1 293.260 3.240 20 0 CGADMM CC1(C)CC[C@@H](NC(=O)c2ccc([O-])cn2)c2ccccc21 ZINC001583707753 962849825 /nfs/dbraw/zinc/84/98/25/962849825.db2.gz DREQLCMJFRYWDS-OAHLLOKOSA-N -1 1 296.370 3.330 20 0 CGADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)C1CCC(F)CC1 ZINC001585783112 963039657 /nfs/dbraw/zinc/03/96/57/963039657.db2.gz KGGVTCOUFOURIC-GRZMOONWSA-N -1 1 283.318 3.178 20 0 CGADMM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001587543843 963202497 /nfs/dbraw/zinc/20/24/97/963202497.db2.gz GUKVNYIGIDNVES-ZWNOBZJWSA-N -1 1 279.355 3.476 20 0 CGADMM CC[C@@H]1CN(Cc2cc(C(=O)[O-])sc2C)C[C@H](CC)O1 ZINC000398620042 973158628 /nfs/dbraw/zinc/15/86/28/973158628.db2.gz GEQPUYQJMFFGFT-BETUJISGSA-N -1 1 297.420 3.144 20 0 CGADMM CCC[C@H](CC)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001595585764 981525858 /nfs/dbraw/zinc/52/58/58/981525858.db2.gz BYAVRWLZAILGDA-VIFPVBQESA-N -1 1 289.335 3.026 20 0 CGADMM C[C@H]1CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CCC1(F)F ZINC001594534228 986142168 /nfs/dbraw/zinc/14/21/68/986142168.db2.gz IAYUAMBVVSTJMV-VIFPVBQESA-N -1 1 298.333 3.067 20 0 CGADMM CCn1ccc(CN(C)[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001597905066 989792594 /nfs/dbraw/zinc/79/25/94/989792594.db2.gz USRFJAXHORLMHU-GFCCVEGCSA-N -1 1 290.363 3.301 20 0 CGADMM C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1cc(C(=O)[O-])co1 ZINC001593230497 994363594 /nfs/dbraw/zinc/36/35/94/994363594.db2.gz DISOXIFLUHMWIX-OTYXRUKQSA-N -1 1 289.306 3.455 20 0 CGADMM C[C@@H](N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)c1nc(C(=O)[O-])co1 ZINC001594356753 999348526 /nfs/dbraw/zinc/34/85/26/999348526.db2.gz ZJALSZOKGSPVFK-WRWGMCAJSA-N -1 1 280.368 3.238 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC[C@@H](C)[C@H]1C ZINC001594384966 999461016 /nfs/dbraw/zinc/46/10/16/999461016.db2.gz YWGIOZTZHKDAJD-BBBLOLIVSA-N -1 1 268.382 3.023 20 0 CGADMM CC12CC(C1)CN2C(=O)c1ccc2ccccc2c1[O-] ZINC000621211047 349471332 /nfs/dbraw/zinc/47/13/32/349471332.db2.gz QAPYNZWCISUOIF-UHFFFAOYSA-N -1 1 267.328 3.170 20 0 CGADMM CCC1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000651033252 398196182 /nfs/dbraw/zinc/19/61/82/398196182.db2.gz KIOGLRMXNGBTJI-UHFFFAOYSA-N -1 1 273.254 3.083 20 0 CGADMM C[C@H]1CC[C@@]2(CCN(C(=O)c3cc(F)ccc3[O-])C2)C1 ZINC000368079088 290623910 /nfs/dbraw/zinc/62/39/10/290623910.db2.gz NIKMLVVMUGWGCH-MEDUHNTESA-N -1 1 277.339 3.184 20 0 CGADMM C[C@H]1CC[C@H](C(=O)Nc2c([O-])cccc2F)CC1 ZINC000651585893 398256154 /nfs/dbraw/zinc/25/61/54/398256154.db2.gz HCWPZJBDYDWZFA-MGCOHNPYSA-N -1 1 251.301 3.296 20 0 CGADMM CC[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@H](C)O1 ZINC000350698332 219050055 /nfs/dbraw/zinc/05/00/55/219050055.db2.gz CZULZDHVSYNMKJ-CMPLNLGQSA-N -1 1 269.772 3.045 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H](C)CCCC(F)(F)F)s[n-]1 ZINC000337943453 214322819 /nfs/dbraw/zinc/32/28/19/214322819.db2.gz DTKMOMDZRDANJX-JGVFFNPUSA-N -1 1 297.346 3.200 20 0 CGADMM Cc1cc(C)c(CNC(=O)c2c([O-])cccc2F)c(C)c1 ZINC000622298313 349669443 /nfs/dbraw/zinc/66/94/43/349669443.db2.gz DQGFLWZEEZVEHX-UHFFFAOYSA-N -1 1 287.334 3.387 20 0 CGADMM CC[C@@H](CC(F)F)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000411575450 529460324 /nfs/dbraw/zinc/46/03/24/529460324.db2.gz XDWLSRCDQYFGQY-QMMMGPOBSA-N -1 1 299.346 3.180 20 0 CGADMM CCc1ccc(C(=O)Nc2nnc(C(C)C)s2)c([O-])c1 ZINC000436815105 529611578 /nfs/dbraw/zinc/61/15/78/529611578.db2.gz UOVVSIDQMNMMOL-UHFFFAOYSA-N -1 1 291.376 3.182 20 0 CGADMM CCc1ccc(C(=O)N2CCc3cc(F)ccc32)c([O-])c1 ZINC000436686282 529600697 /nfs/dbraw/zinc/60/06/97/529600697.db2.gz NSEDHEFDRRBIFO-UHFFFAOYSA-N -1 1 285.318 3.297 20 0 CGADMM CCc1ccc(CC)c(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436930622 529622738 /nfs/dbraw/zinc/62/27/38/529622738.db2.gz YVMDEYFQXWWYSW-UHFFFAOYSA-N -1 1 297.354 3.338 20 0 CGADMM CCc1cncc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000436869434 529665215 /nfs/dbraw/zinc/66/52/15/529665215.db2.gz ALCPHGXIVDKZNN-UHFFFAOYSA-N -1 1 285.278 3.206 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000033928237 344937209 /nfs/dbraw/zinc/93/72/09/344937209.db2.gz RYNPJSGWSHYYQX-UHFFFAOYSA-N -1 1 287.384 3.285 20 0 CGADMM CCN(Cc1cc(C)c(C(=O)[O-])o1)Cc1cccs1 ZINC000048970677 345069796 /nfs/dbraw/zinc/06/97/96/345069796.db2.gz SDXUHPYUDGKUMW-UHFFFAOYSA-N -1 1 279.361 3.370 20 0 CGADMM CC(C)N(Cc1cc(C(=O)[O-])co1)Cc1cccs1 ZINC000051330622 345089076 /nfs/dbraw/zinc/08/90/76/345089076.db2.gz XCQQXDYHJIGJKM-UHFFFAOYSA-N -1 1 279.361 3.450 20 0 CGADMM Cc1cn2nc([N-]c3cnn(-c4ccccc4)c3)sc2n1 ZINC000069000407 345370548 /nfs/dbraw/zinc/37/05/48/345370548.db2.gz VTQFFNWNTKROFT-UHFFFAOYSA-N -1 1 296.359 3.029 20 0 CGADMM CC(C)(C)CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084936572 345743738 /nfs/dbraw/zinc/74/37/38/345743738.db2.gz XXIPNTAGMNNVOL-UHFFFAOYSA-N -1 1 281.377 3.147 20 0 CGADMM CC[C@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000153568752 346145881 /nfs/dbraw/zinc/14/58/81/346145881.db2.gz YOZOOSZRUJNBGV-JTQLQIEISA-N -1 1 297.782 3.316 20 0 CGADMM CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000232783194 346328261 /nfs/dbraw/zinc/32/82/61/346328261.db2.gz WLLYAIJAXYNZFQ-OAHLLOKOSA-N -1 1 299.773 3.412 20 0 CGADMM CN(C(=O)c1cc(F)ccc1[O-])C1CCCCCC1 ZINC000128616861 187381078 /nfs/dbraw/zinc/38/10/78/187381078.db2.gz VFQKXAPECKCOFX-UHFFFAOYSA-N -1 1 265.328 3.326 20 0 CGADMM COc1cnccc1[C@H](C)NCc1cccc([O-])c1Cl ZINC000339363240 215123966 /nfs/dbraw/zinc/12/39/66/215123966.db2.gz BBDFCUNOFXSZNB-JTQLQIEISA-N -1 1 292.766 3.300 20 0 CGADMM Cn1c(C(=O)Nc2c([O-])cccc2F)cc2ccccc21 ZINC000605436928 348155378 /nfs/dbraw/zinc/15/53/78/348155378.db2.gz NOHGBSUOYDJMSE-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM CC(C)c1nc(=NC[C@H](c2ccccc2)C(C)C)o[n-]1 ZINC000605691150 348166365 /nfs/dbraw/zinc/16/63/65/348166365.db2.gz PXPSYFMYHGALFM-AWEZNQCLSA-N -1 1 273.380 3.467 20 0 CGADMM CCN(CC(F)F)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000273413905 192142360 /nfs/dbraw/zinc/14/23/60/192142360.db2.gz QISSQHIXDJPYCD-UHFFFAOYSA-N -1 1 297.223 3.138 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1onc2c1CCCC2 ZINC000613030012 348561027 /nfs/dbraw/zinc/56/10/27/348561027.db2.gz WLJYMJGGWMDLMM-UHFFFAOYSA-N -1 1 292.722 3.165 20 0 CGADMM CCC1(CC)CN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000615349479 348732791 /nfs/dbraw/zinc/73/27/91/348732791.db2.gz HZIDQHKZIQAWMG-UHFFFAOYSA-N -1 1 284.359 3.203 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@H](C2CC2)C1 ZINC000614927246 348700209 /nfs/dbraw/zinc/70/02/09/348700209.db2.gz GFTRDIGNIMRWJM-CQSZACIVSA-N -1 1 296.370 3.203 20 0 CGADMM CCOc1cc(C(=O)N[C@]23C[C@H]2CCC3)cc(Cl)c1[O-] ZINC000617198125 348929371 /nfs/dbraw/zinc/92/93/71/348929371.db2.gz RGZYVSXPTUTIKT-MEBBXXQBSA-N -1 1 295.766 3.117 20 0 CGADMM CCC(C)(C)[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000617569413 348972691 /nfs/dbraw/zinc/97/26/91/348972691.db2.gz YMVAAPZCFZNSCS-VIFPVBQESA-N -1 1 253.317 3.086 20 0 CGADMM CCC(C)(C)[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000617569412 348972896 /nfs/dbraw/zinc/97/28/96/348972896.db2.gz YMVAAPZCFZNSCS-SECBINFHSA-N -1 1 253.317 3.086 20 0 CGADMM Cn1cc([N-]c2nc3cccc(F)c3o2)c(C2CC2)n1 ZINC000624234576 350008687 /nfs/dbraw/zinc/00/86/87/350008687.db2.gz BWZGIMJFILVAEX-UHFFFAOYSA-N -1 1 272.283 3.321 20 0 CGADMM CC(C)(CC(F)(F)F)C(=O)Nc1cccc(F)c1[O-] ZINC000628959778 350625403 /nfs/dbraw/zinc/62/54/03/350625403.db2.gz AGFXSVKUVGYJME-UHFFFAOYSA-N -1 1 279.233 3.448 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1C[C@H]1C1CCCC1 ZINC000628960390 350626477 /nfs/dbraw/zinc/62/64/77/350626477.db2.gz OUAOHZIECYNCDM-WDEREUQCSA-N -1 1 263.312 3.296 20 0 CGADMM C[C@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CCCC1 ZINC000629376516 350683225 /nfs/dbraw/zinc/68/32/25/350683225.db2.gz XIFJAGHCYRXBQE-LBPRGKRZSA-N -1 1 299.374 3.343 20 0 CGADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378186 350684439 /nfs/dbraw/zinc/68/44/39/350684439.db2.gz BXVJIKRKNGPXSS-OLZOCXBDSA-N -1 1 299.374 3.343 20 0 CGADMM CCCN(CCC)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630403852 350835634 /nfs/dbraw/zinc/83/56/34/350835634.db2.gz YIGYHXYJAPUTOM-UHFFFAOYSA-N -1 1 269.772 3.237 20 0 CGADMM Cc1nc(S[C@H]2CCC(C)(C)C2=O)[n-]c(=O)c1C1CC1 ZINC000631023177 350927001 /nfs/dbraw/zinc/92/70/01/350927001.db2.gz KKCISEMHDGXKLW-JTQLQIEISA-N -1 1 292.404 3.218 20 0 CGADMM Cc1cccnc1CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024688 350927622 /nfs/dbraw/zinc/92/76/22/350927622.db2.gz XVWYWLWXCWAKKS-UHFFFAOYSA-N -1 1 287.388 3.364 20 0 CGADMM CC[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000630726185 350879569 /nfs/dbraw/zinc/87/95/69/350879569.db2.gz BMKNBXOIHUQZHV-LLVKDONJSA-N -1 1 281.783 3.237 20 0 CGADMM CCC(CC)(CC)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632029873 351160162 /nfs/dbraw/zinc/16/01/62/351160162.db2.gz NSMIZZZGXLJXPY-UHFFFAOYSA-N -1 1 295.351 3.464 20 0 CGADMM CC[C@@H]1CC[C@@H](C)N1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632281340 351190399 /nfs/dbraw/zinc/19/03/99/351190399.db2.gz XPIFGYXFQYIPPX-ZYHUDNBSSA-N -1 1 281.783 3.378 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000633547213 351320371 /nfs/dbraw/zinc/32/03/71/351320371.db2.gz IHLBNWHREDWSMW-JSGCOSHPSA-N -1 1 293.794 3.379 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC1=CCCCC1 ZINC000633246907 351266967 /nfs/dbraw/zinc/26/69/67/351266967.db2.gz UGFYLVLYWHILQW-UHFFFAOYSA-N -1 1 279.767 3.205 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3cccc(Cl)c3F)c(=O)c21 ZINC000634595132 351531132 /nfs/dbraw/zinc/53/11/32/351531132.db2.gz RADDBSIEPAYBJU-HQJQHLMTSA-N -1 1 266.703 3.228 20 0 CGADMM CSc1ccc(-n2[n-]c(C)c(C3CC3)c2=O)cc1 ZINC000634594544 351531375 /nfs/dbraw/zinc/53/13/75/351531375.db2.gz ZFJBYMUDCXVYIQ-ZDUSSCGKSA-N -1 1 260.362 3.157 20 0 CGADMM CCc1c(C(C)C)[n-]n(Cc2ccc(OC)cc2)c1=O ZINC000634597742 351534466 /nfs/dbraw/zinc/53/44/66/351534466.db2.gz STTAUPQOFGJLJM-AWEZNQCLSA-N -1 1 274.364 3.076 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(OC(F)F)cc3)c(=O)c21 ZINC000634602647 351537818 /nfs/dbraw/zinc/53/78/18/351537818.db2.gz XWEXMEZLTQXIFT-UFBFGSQYSA-N -1 1 280.274 3.037 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccnc3ccccc32)c1=O ZINC000634602748 351537834 /nfs/dbraw/zinc/53/78/34/351537834.db2.gz BMWOCDODMLTGMA-LBPRGKRZSA-N -1 1 267.332 3.374 20 0 CGADMM Cc1cccc(Cl)c1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000634609047 351540943 /nfs/dbraw/zinc/54/09/43/351540943.db2.gz VAEOBVNPNFVFGG-UFBFGSQYSA-N -1 1 262.740 3.397 20 0 CGADMM Cc1cc(-n2[n-]c3c(c2=O)CCCc2ccccc2-3)ccn1 ZINC000634619255 351547265 /nfs/dbraw/zinc/54/72/65/351547265.db2.gz TXQGISFDUSNCJW-INIZCTEOSA-N -1 1 291.354 3.093 20 0 CGADMM CCc1c(-c2ccccc2)[n-]n([C@@H](C)C(F)(F)F)c1=O ZINC000634630649 351552856 /nfs/dbraw/zinc/55/28/56/351552856.db2.gz BHAXLUKKPICEPH-GXSJLCMTSA-N -1 1 284.281 3.210 20 0 CGADMM CCc1c(C(C)C)[n-]n([C@H](C)c2ccncc2)c1=O ZINC000634627299 351550519 /nfs/dbraw/zinc/55/05/19/351550519.db2.gz ZNFXAHCMUJHWMQ-YPMHNXCESA-N -1 1 259.353 3.023 20 0 CGADMM O=c1c2c([n-]n1Cc1c(Cl)cccc1Cl)CCC2 ZINC000634630303 351552895 /nfs/dbraw/zinc/55/28/95/351552895.db2.gz RWBJFFOLNVTATK-QMMMGPOBSA-N -1 1 283.158 3.492 20 0 CGADMM CCCc1c(C)[n-]n([C@H](C)COc2ccccc2)c1=O ZINC000634629076 351551425 /nfs/dbraw/zinc/55/14/25/351551425.db2.gz MGPZMTUULFVMFZ-DOMZBBRYSA-N -1 1 274.364 3.088 20 0 CGADMM COc1ccc2ccccc2c1Cn1[n-]c2c(c1=O)CCC2 ZINC000634631034 351553071 /nfs/dbraw/zinc/55/30/71/351553071.db2.gz JUOWANVGYNFQLH-AWEZNQCLSA-N -1 1 294.354 3.347 20 0 CGADMM CC(C)=C(C)CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000636282859 351734755 /nfs/dbraw/zinc/73/47/55/351734755.db2.gz TZTOKMKQNHSPKP-UHFFFAOYSA-N -1 1 285.347 3.263 20 0 CGADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccsc2)c(C)c1 ZINC000336472614 213342531 /nfs/dbraw/zinc/34/25/31/213342531.db2.gz OQDKZHZEFUAZBY-UHFFFAOYSA-N -1 1 281.402 3.474 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1snnc1C1CC1 ZINC000292369753 198262063 /nfs/dbraw/zinc/26/20/63/198262063.db2.gz ZAXYRUZWEWAYIX-UHFFFAOYSA-N -1 1 295.751 3.027 20 0 CGADMM Cn1cc([N-]c2nc3cc(F)ccc3o2)c(C2CC2)n1 ZINC000292380560 198266252 /nfs/dbraw/zinc/26/62/52/198266252.db2.gz QCFCTOULLLNPDB-UHFFFAOYSA-N -1 1 272.283 3.321 20 0 CGADMM O=c1cc(C(F)F)nc(SCCC2CCOCC2)[n-]1 ZINC000292597679 198346408 /nfs/dbraw/zinc/34/64/08/198346408.db2.gz HKUNJNGGCGQRLA-UHFFFAOYSA-N -1 1 290.335 3.029 20 0 CGADMM C[C@@H]1C[C@@H](Sc2nc(C3CC3)cc(=O)[n-]2)C[C@H](C)O1 ZINC000328698729 202018261 /nfs/dbraw/zinc/01/82/61/202018261.db2.gz LYASGMRTXSKTBZ-DOFRTFSJSA-N -1 1 280.393 3.108 20 0 CGADMM O=C([N-]c1cc(F)cc(F)c1F)c1cc(C2CC2)no1 ZINC000336347797 213196897 /nfs/dbraw/zinc/19/68/97/213196897.db2.gz MNLUHGAHYVTWIJ-UHFFFAOYSA-N -1 1 282.221 3.222 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccccc1Cl ZINC000336334135 213179765 /nfs/dbraw/zinc/17/97/65/213179765.db2.gz CKKPXWSUUMXJER-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](C2CCCC2)C1 ZINC000421947420 235889179 /nfs/dbraw/zinc/88/91/79/235889179.db2.gz JTDZIRQTTNGDQE-GFCCVEGCSA-N -1 1 277.339 3.184 20 0 CGADMM C[C@@H](c1cccs1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000128633392 138394555 /nfs/dbraw/zinc/39/45/55/138394555.db2.gz DBUQNEXMVAGYRN-VIFPVBQESA-N -1 1 279.336 3.426 20 0 CGADMM Cc1ccc([C@@H](C)N(C)C(=O)c2ncc(C)cc2[O-])cc1 ZINC000426436942 236294766 /nfs/dbraw/zinc/29/47/66/236294766.db2.gz TZXWGQWXGPHRTA-CYBMUJFWSA-N -1 1 284.359 3.237 20 0 CGADMM O=C(NCC1CCC(F)(F)CC1)c1c([O-])cccc1F ZINC000436516331 237118844 /nfs/dbraw/zinc/11/88/44/237118844.db2.gz TZQAIXYMAVPAOC-UHFFFAOYSA-N -1 1 287.281 3.087 20 0 CGADMM O=C(N[C@H]1CSc2ccccc21)c1cc(F)ccc1[O-] ZINC000436535417 237123708 /nfs/dbraw/zinc/12/37/08/237123708.db2.gz KJQYSBZPYONSRR-LBPRGKRZSA-N -1 1 289.331 3.108 20 0 CGADMM CN(C(=O)c1ccc(Cl)cc1[O-])C1(C)CCCC1 ZINC000436741127 237171685 /nfs/dbraw/zinc/17/16/85/237171685.db2.gz SFLNCCJLJBYIIG-UHFFFAOYSA-N -1 1 267.756 3.450 20 0 CGADMM O=C(N[C@H]1CCC[C@H]1F)c1ccc2ccccc2c1[O-] ZINC000436775775 237180040 /nfs/dbraw/zinc/18/00/40/237180040.db2.gz RKJIOTLFBQDQSO-KGLIPLIRSA-N -1 1 273.307 3.166 20 0 CGADMM C[C@H]1C[C@@H]1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436956715 237222993 /nfs/dbraw/zinc/22/29/93/237222993.db2.gz OQRCDCHMUOHRHE-JGVFFNPUSA-N -1 1 264.712 3.294 20 0 CGADMM O=C(Nc1cccc2ccsc21)C(=O)c1ccc([O-])cc1 ZINC000436974591 237225429 /nfs/dbraw/zinc/22/54/29/237225429.db2.gz ZRQTXYGPXWYGPT-UHFFFAOYSA-N -1 1 297.335 3.428 20 0 CGADMM O=C(Nc1nc(C2CCC2)cs1)c1ccccc1[O-] ZINC000437003000 237229237 /nfs/dbraw/zinc/22/92/37/237229237.db2.gz OELYVEILYLFSNN-UHFFFAOYSA-N -1 1 274.345 3.369 20 0 CGADMM Cc1cccc([N-]c2nnc(Br)s2)c1F ZINC000300882431 799205923 /nfs/dbraw/zinc/20/59/23/799205923.db2.gz AJKWMJGBFSYXDM-UHFFFAOYSA-N -1 1 288.145 3.492 20 0 CGADMM Cc1noc(C)c1[N-]C(=O)c1csc(C(F)(F)F)n1 ZINC000335798401 212543839 /nfs/dbraw/zinc/54/38/39/212543839.db2.gz SSJCRTZYUKZQHT-UHFFFAOYSA-N -1 1 291.254 3.019 20 0 CGADMM Cc1nc(-c2ccc(NCCC3CC3)nc2)[n-]c(=O)c1C ZINC000301485744 201025026 /nfs/dbraw/zinc/02/50/26/201025026.db2.gz ZJPDLBQCYQDURZ-UHFFFAOYSA-N -1 1 284.363 3.073 20 0 CGADMM COCCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCC1 ZINC000182870504 189338073 /nfs/dbraw/zinc/33/80/73/189338073.db2.gz BAJJTXTXZDYALW-UHFFFAOYSA-N -1 1 283.755 3.191 20 0 CGADMM CC[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000183607965 189364054 /nfs/dbraw/zinc/36/40/54/189364054.db2.gz YEYRNLZNTPDACT-ONGXEEELSA-N -1 1 283.755 3.189 20 0 CGADMM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000408371530 283992521 /nfs/dbraw/zinc/99/25/21/283992521.db2.gz YRQQBENBECGELP-STQMWFEESA-N -1 1 276.380 3.136 20 0 CGADMM COc1ccc(C(=O)Nc2nc(C(C)C)cs2)c([O-])c1 ZINC000010635758 368585125 /nfs/dbraw/zinc/58/51/25/368585125.db2.gz VPPMCRKRIPQHAA-UHFFFAOYSA-N -1 1 292.360 3.233 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCc2ccccc2C1 ZINC000019839866 368772189 /nfs/dbraw/zinc/77/21/89/368772189.db2.gz YWWJPSPJVYWZDC-UHFFFAOYSA-N -1 1 287.746 3.244 20 0 CGADMM O=C(NC1(C2CC2)CC1)c1ccc2ccccc2c1[O-] ZINC000537682635 376194043 /nfs/dbraw/zinc/19/40/43/376194043.db2.gz VAOUQYUIUXKBIW-UHFFFAOYSA-N -1 1 267.328 3.218 20 0 CGADMM Cc1ccccc1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000047916760 369331128 /nfs/dbraw/zinc/33/11/28/369331128.db2.gz UVCSOOULEGMSHC-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM CCCCOc1ccccc1NC(=O)c1cncc([O-])c1 ZINC000111575669 370401489 /nfs/dbraw/zinc/40/14/89/370401489.db2.gz LQXDCYXGMZJOLW-UHFFFAOYSA-N -1 1 286.331 3.218 20 0 CGADMM C[C@@H](CC1CCCC1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000114319847 370497010 /nfs/dbraw/zinc/49/70/10/370497010.db2.gz SXTCGOYNUQKLSD-NSHDSACASA-N -1 1 299.378 3.022 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CCC2(C1)CCCCC2 ZINC000280682197 296161850 /nfs/dbraw/zinc/16/18/50/296161850.db2.gz CNOAGVUDFQMLRC-UHFFFAOYSA-N -1 1 295.329 3.467 20 0 CGADMM COc1cccc(-c2noc(-c3cc(F)ccc3[O-])n2)c1 ZINC000132980626 371216713 /nfs/dbraw/zinc/21/67/13/371216713.db2.gz SNQIRRUCUPGZEC-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM CC(C)c1csc(NC(=O)c2cc(F)ccc2[O-])n1 ZINC000147660509 371519339 /nfs/dbraw/zinc/51/93/39/371519339.db2.gz XDXCPEOKKVQIFA-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM CCSCc1ccnc(NC(=O)c2ccccc2[O-])c1 ZINC000153368848 371765518 /nfs/dbraw/zinc/76/55/18/371765518.db2.gz RLMRDUPJGBUANC-UHFFFAOYSA-N -1 1 288.372 3.293 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1n[nH]c2ccccc21 ZINC000153654729 371779302 /nfs/dbraw/zinc/77/93/02/371779302.db2.gz MONQQVGBTNBTQG-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM O=C([O-])C[C@H](NCc1cc(F)ccc1F)c1cccs1 ZINC000037087795 541861478 /nfs/dbraw/zinc/86/14/78/541861478.db2.gz NPEGDQFGAPJMOZ-LBPRGKRZSA-N -1 1 297.326 3.332 20 0 CGADMM CCC1(C)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000291097248 372114063 /nfs/dbraw/zinc/11/40/63/372114063.db2.gz RBTFRKFLQBTSEY-UHFFFAOYSA-N -1 1 269.344 3.418 20 0 CGADMM CCC(CC)c1cc(C(=O)[N-]c2cc(C)on2)on1 ZINC000159020453 372098533 /nfs/dbraw/zinc/09/85/33/372098533.db2.gz MSMKBCLWHGABTD-UHFFFAOYSA-N -1 1 263.297 3.127 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1CF ZINC000294112557 372585330 /nfs/dbraw/zinc/58/53/30/372585330.db2.gz PEKMMJXARNTCKT-ZDUSSCGKSA-N -1 1 273.307 3.120 20 0 CGADMM C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)[C@H]1C(=O)[O-] ZINC000300274416 373624278 /nfs/dbraw/zinc/62/42/78/373624278.db2.gz SNPBVDUHMGSCCH-TVQRCGJNSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1nc(-c2ccc(NC3CCCC3)nc2)[n-]c(=O)c1C ZINC000301196695 373688875 /nfs/dbraw/zinc/68/88/75/373688875.db2.gz ZLNWUKIAFREZDU-UHFFFAOYSA-N -1 1 284.363 3.216 20 0 CGADMM Cc1nc(-c2ccc(NCc3ccco3)nc2)[n-]c(=O)c1C ZINC000301349379 373754118 /nfs/dbraw/zinc/75/41/18/373754118.db2.gz JIBNSBWTCIEKRD-UHFFFAOYSA-N -1 1 296.330 3.066 20 0 CGADMM CC(C)(C)CC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289530646 197391959 /nfs/dbraw/zinc/39/19/59/197391959.db2.gz NFJBJMOQQDBFAI-UHFFFAOYSA-N -1 1 290.335 3.217 20 0 CGADMM Cc1ccc(C(=O)CSc2ncc(C)c(=O)[n-]2)cc1C ZINC000312302215 374275761 /nfs/dbraw/zinc/27/57/61/374275761.db2.gz BFPVDDCQVKQGPQ-UHFFFAOYSA-N -1 1 288.372 3.082 20 0 CGADMM COc1cc(C(=O)N(C)[C@H]2CC[C@H](C)C2)cc(Cl)c1[O-] ZINC000334141646 206056762 /nfs/dbraw/zinc/05/67/62/206056762.db2.gz INYDNCAYMGMLFY-ONGXEEELSA-N -1 1 297.782 3.315 20 0 CGADMM CCC(CC)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084937804 541935584 /nfs/dbraw/zinc/93/55/84/541935584.db2.gz VDVFBWUDTMANOB-UHFFFAOYSA-N -1 1 281.377 3.147 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])[C@@H]1C(C)C ZINC000456350001 374523008 /nfs/dbraw/zinc/52/30/08/374523008.db2.gz SYKDPKJLUCEAJG-DZGCQCFKSA-N -1 1 279.355 3.284 20 0 CGADMM CCc1cccc(C(=O)Nc2c([O-])cccc2F)c1O ZINC000092551154 541975319 /nfs/dbraw/zinc/97/53/19/541975319.db2.gz WIYKCKKTMYCFAM-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM C[C@@]1(c2nc(-c3ccc([O-])cc3Cl)no2)CC1(F)F ZINC000334999099 375062821 /nfs/dbraw/zinc/06/28/21/375062821.db2.gz CTSXXFKJDRKUCO-NSHDSACASA-N -1 1 286.665 3.392 20 0 CGADMM CCc1cc(=O)[n-]c(SCCC2CCCC2)n1 ZINC000188107659 375158455 /nfs/dbraw/zinc/15/84/55/375158455.db2.gz BNXFQWUHMHPXHV-UHFFFAOYSA-N -1 1 252.383 3.005 20 0 CGADMM Cc1c(C(=O)Nc2ccc([O-])c(F)c2F)cnn1C(C)C ZINC000335214866 375234776 /nfs/dbraw/zinc/23/47/76/375234776.db2.gz GUAISORXZJDOHY-UHFFFAOYSA-N -1 1 295.289 3.009 20 0 CGADMM CC(C)(C(=O)Nc1ccc([O-])c(F)c1F)C1CCOCC1 ZINC000335213819 375232990 /nfs/dbraw/zinc/23/29/90/375232990.db2.gz BZMZZTQSNWGGLX-UHFFFAOYSA-N -1 1 299.317 3.062 20 0 CGADMM CC[C@]1(C)CN(C(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000189314120 375364287 /nfs/dbraw/zinc/36/42/87/375364287.db2.gz XIKURBNVEMGBCS-GOSISDBHSA-N -1 1 299.370 3.187 20 0 CGADMM CSc1nsc([N-]C(=O)c2sccc2Cl)n1 ZINC000335839659 375473297 /nfs/dbraw/zinc/47/32/97/375473297.db2.gz LTFWXAVAFIMXOM-UHFFFAOYSA-N -1 1 291.810 3.227 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc[nH]c1C1CCC1 ZINC000335810454 375448790 /nfs/dbraw/zinc/44/87/90/375448790.db2.gz XPPIYDCXMJHYQW-UHFFFAOYSA-N -1 1 274.295 3.379 20 0 CGADMM Cc1cc(=O)[n-]c([C@@H](C)[N@H+](C)CC2(c3ccccc3)CC2)n1 ZINC000192803309 375790857 /nfs/dbraw/zinc/79/08/57/375790857.db2.gz GGJPRIKRSQSCPM-CQSZACIVSA-N -1 1 297.402 3.215 20 0 CGADMM CO[C@H](C)c1nc(=NCC[C@@H]2CCC[C@@H](C)C2)s[n-]1 ZINC000336810395 375963821 /nfs/dbraw/zinc/96/38/21/375963821.db2.gz ZTUAYCAILKFZAH-UTUOFQBUSA-N -1 1 283.441 3.296 20 0 CGADMM CO[C@@H](C)c1nc(=N[C@@H](C)CCC(C)(C)C)s[n-]1 ZINC000337872440 376245780 /nfs/dbraw/zinc/24/57/80/376245780.db2.gz OMXFVQHJQQNYEE-UWVGGRQHSA-N -1 1 271.430 3.294 20 0 CGADMM O=S(=O)([N-]CCC1=CCCCC1)c1sccc1F ZINC000338851738 376550733 /nfs/dbraw/zinc/55/07/33/376550733.db2.gz WWTRBIJQICMMLK-UHFFFAOYSA-N -1 1 289.397 3.056 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1Cc2ccccc2C1 ZINC000236619345 376672006 /nfs/dbraw/zinc/67/20/06/376672006.db2.gz HHKBXUJCAHPLEK-UHFFFAOYSA-N -1 1 287.746 3.399 20 0 CGADMM CCNc1ccc(Cl)cc1NC(=O)c1cncc([O-])c1 ZINC000340006716 376892959 /nfs/dbraw/zinc/89/29/59/376892959.db2.gz SWFIUDVITWEHCK-UHFFFAOYSA-N -1 1 291.738 3.125 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2ncsc2c1 ZINC000340330853 377008171 /nfs/dbraw/zinc/00/81/71/377008171.db2.gz QDVRVNFGBRJOQO-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])c1ccccc1F ZINC000340332054 377008219 /nfs/dbraw/zinc/00/82/19/377008219.db2.gz GBIUPLKHSKCFGX-VIFPVBQESA-N -1 1 277.270 3.413 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cc(C)ccc2OC)n1 ZINC000562471856 377313719 /nfs/dbraw/zinc/31/37/19/377313719.db2.gz JHVWQBZHGYLDPP-UHFFFAOYSA-N -1 1 290.388 3.354 20 0 CGADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])[C@@H]1c1ccccc1 ZINC000091984379 249031003 /nfs/dbraw/zinc/03/10/03/249031003.db2.gz VNNXFGSXKZJJGE-ZBEGNZNMSA-N -1 1 285.318 3.365 20 0 CGADMM O=C(Nc1c(F)cccc1NC1CC1)c1ccccc1[O-] ZINC000091991845 249031776 /nfs/dbraw/zinc/03/17/76/249031776.db2.gz HJJBVDPMXBVNPD-UHFFFAOYSA-N -1 1 286.306 3.358 20 0 CGADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000252685158 377649202 /nfs/dbraw/zinc/64/92/02/377649202.db2.gz UBJPWYNPURIMEX-YDEXJTGXSA-N -1 1 283.755 3.044 20 0 CGADMM CC[C@@H](CC(F)(F)F)N=c1nc(C(F)(F)F)[n-]s1 ZINC000342831137 377824939 /nfs/dbraw/zinc/82/49/39/377824939.db2.gz LPWLOUXFUVOJGZ-BYPYZUCNSA-N -1 1 293.236 3.122 20 0 CGADMM Cc1ccc2nc(-c3cc([O-])cc(F)c3)[nH]c(=O)c2c1 ZINC000345197744 378221197 /nfs/dbraw/zinc/22/11/97/378221197.db2.gz GCIVXNXDQYYWSZ-UHFFFAOYSA-N -1 1 270.263 3.156 20 0 CGADMM CN(Cc1c(Cl)cccc1C(=O)[O-])[C@@H]1CC1(C)C ZINC000583268374 378316140 /nfs/dbraw/zinc/31/61/40/378316140.db2.gz NQRSSCNXMHPPME-GFCCVEGCSA-N -1 1 267.756 3.269 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CCC[C@@H](O)C3)n2)c(Cl)c1 ZINC000350605678 379573297 /nfs/dbraw/zinc/57/32/97/379573297.db2.gz HAJAKPJMQDEWAA-RKDXNWHRSA-N -1 1 294.738 3.114 20 0 CGADMM CC(F)(F)C(=O)[N-][C@H]1COc2c1ccc(Cl)c2Cl ZINC000377404644 379673449 /nfs/dbraw/zinc/67/34/49/379673449.db2.gz ZTKUGOMQMXTQNP-ZETCQYMHSA-N -1 1 296.100 3.198 20 0 CGADMM O=c1[n-]c(-c2nc3ccccc3o2)nc2cc(F)ccc12 ZINC000352206567 379754893 /nfs/dbraw/zinc/75/48/93/379754893.db2.gz NVDBTUHINYKZJI-UHFFFAOYSA-N -1 1 281.246 3.283 20 0 CGADMM [O-]c1ccc(-c2nc(CC3CCCC3)no2)c(F)c1 ZINC000379165311 379860252 /nfs/dbraw/zinc/86/02/52/379860252.db2.gz LWLHFKXVJHOXDX-UHFFFAOYSA-N -1 1 262.284 3.314 20 0 CGADMM Cc1nocc1[N-]C(=O)c1coc(C2CCCCC2)n1 ZINC000640487964 379811752 /nfs/dbraw/zinc/81/17/52/379811752.db2.gz SPOWNYCENWQVCV-UHFFFAOYSA-N -1 1 275.308 3.271 20 0 CGADMM CSc1c(F)cc(NC(=O)c2cncc([O-])c2)cc1F ZINC000354633988 380507864 /nfs/dbraw/zinc/50/78/64/380507864.db2.gz ZHCCRQVUROXFSC-UHFFFAOYSA-N -1 1 296.298 3.040 20 0 CGADMM CCC[C@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000354741162 380547032 /nfs/dbraw/zinc/54/70/32/380547032.db2.gz NOYFQXAGQDFLBH-JTQLQIEISA-N -1 1 273.336 3.157 20 0 CGADMM CC(C)[C@@H]1C[C@H](NC(=O)c2cncc([O-])c2)c2ccccc21 ZINC000355483268 380682301 /nfs/dbraw/zinc/68/23/01/380682301.db2.gz ZJJKGYSUDOXYLM-IRXDYDNUSA-N -1 1 296.370 3.402 20 0 CGADMM Cc1cc(C)nc(-c2nc3ccccc3c(=O)[n-]2)c1 ZINC000357065113 381017817 /nfs/dbraw/zinc/01/78/17/381017817.db2.gz JCHSDMJYZFAHMD-UHFFFAOYSA-N -1 1 251.289 3.014 20 0 CGADMM CC[C@@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC000362348470 381952069 /nfs/dbraw/zinc/95/20/69/381952069.db2.gz JFHCOBDBQCFQHE-CQSZACIVSA-N -1 1 273.332 3.208 20 0 CGADMM CN(CCC1CCCCC1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000280885864 195014305 /nfs/dbraw/zinc/01/43/05/195014305.db2.gz ZBUIHFQHBLTOTP-UHFFFAOYSA-N -1 1 289.375 3.004 20 0 CGADMM CC(=O)c1ccc(C(=O)[N-]c2c(F)cc(F)cc2F)o1 ZINC000335308348 208159670 /nfs/dbraw/zinc/15/96/70/208159670.db2.gz XQXPZKAAWMMMPE-UHFFFAOYSA-N -1 1 283.205 3.152 20 0 CGADMM COc1ccc(-c2nc([C@H]3CCCS3)no2)c([O-])c1 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CCC[C@H](CC1CCCC1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000647815765 392808578 /nfs/dbraw/zinc/80/85/78/392808578.db2.gz KHOBMWVNIVVOIX-GFCCVEGCSA-N -1 1 279.384 3.359 20 0 CGADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC000416295214 393295503 /nfs/dbraw/zinc/29/55/03/393295503.db2.gz SVYAEDOTGXOESH-NEPJUHHUSA-N -1 1 276.380 3.074 20 0 CGADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000648940480 393296167 /nfs/dbraw/zinc/29/61/67/393296167.db2.gz DYSOIFMZXDYWCL-ZJUUUORDSA-N -1 1 251.301 3.296 20 0 CGADMM CC(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000416525139 393314618 /nfs/dbraw/zinc/31/46/18/393314618.db2.gz AIYNFINUKPCAKV-PSASIEDQSA-N -1 1 293.841 3.114 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)CCc1ccc(C(C)C)cc1 ZINC000646411884 393280725 /nfs/dbraw/zinc/28/07/25/393280725.db2.gz WQSMFUODXHUHFA-UHFFFAOYSA-N -1 1 287.363 3.118 20 0 CGADMM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C(F)(F)F)c([O-])c1 ZINC000649122893 393349365 /nfs/dbraw/zinc/34/93/65/393349365.db2.gz GOMCQWHLZJDXIU-UBHAPETDSA-N -1 1 299.292 3.329 20 0 CGADMM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000356333897 393422531 /nfs/dbraw/zinc/42/25/31/393422531.db2.gz GZBVTZNGKKLIQU-WDEREUQCSA-N -1 1 287.363 3.403 20 0 CGADMM COCC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCCC1 ZINC000420493214 393489159 /nfs/dbraw/zinc/48/91/59/393489159.db2.gz NCVSYOLCRCOLRV-UHFFFAOYSA-N -1 1 292.310 3.040 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)[C@H](C)C(C)C)[nH][n-]2)s1 ZINC000500602163 393833754 /nfs/dbraw/zinc/83/37/54/393833754.db2.gz NPXBWPXDCCQSLR-SNVBAGLBSA-N -1 1 277.393 3.099 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\c3cccc(O)c3)n2)c(F)c1 ZINC000445458118 393796346 /nfs/dbraw/zinc/79/63/46/393796346.db2.gz RBEAJPPITRVFGJ-DAXSKMNVSA-N -1 1 298.273 3.457 20 0 CGADMM Cc1cncc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445472261 393797800 /nfs/dbraw/zinc/79/78/00/393797800.db2.gz JSLNQJWWPBGYDS-GORDUTHDSA-N -1 1 297.289 3.455 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCCCC1(F)F ZINC000450141081 393984896 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397698773 /nfs/dbraw/zinc/69/87/73/397698773.db2.gz BVSGEBBNXJIUQM-UHFFFAOYSA-N -1 1 253.317 3.040 20 0 CGADMM CC[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C(F)F ZINC000650865246 397937444 /nfs/dbraw/zinc/93/74/44/397937444.db2.gz RIBHIDZYOPSVHW-QMMMGPOBSA-N -1 1 297.223 3.185 20 0 CGADMM O=C([O-])CN(Cc1ccc(-c2ccccc2)o1)CC1CC1 ZINC000650797100 397922371 /nfs/dbraw/zinc/92/23/71/397922371.db2.gz KEGYWSOUMNTJJY-UHFFFAOYSA-N -1 1 285.343 3.243 20 0 CGADMM CC(C)C[C@@H](C)OCCC(=O)Nc1c([O-])cccc1F ZINC000674851102 543299203 /nfs/dbraw/zinc/29/92/03/543299203.db2.gz SACFOMCHIIXPJZ-LLVKDONJSA-N -1 1 283.343 3.311 20 0 CGADMM Cc1nc(-c2ccc(N3C[C@@H](C)C[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000674933091 543308330 /nfs/dbraw/zinc/30/83/30/543308330.db2.gz UOWDTSPXTIGVHN-QWRGUYRKSA-N -1 1 298.390 3.096 20 0 CGADMM C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000050566626 286932154 /nfs/dbraw/zinc/93/21/54/286932154.db2.gz USWDURZYOVCEIS-VHSXEESVSA-N -1 1 267.756 3.306 20 0 CGADMM Cc1nc(CNC(=O)c2cc(Cl)ccc2[O-])sc1C ZINC000075540000 287025875 /nfs/dbraw/zinc/02/58/75/287025875.db2.gz XYQGXQUOSKSMFP-UHFFFAOYSA-N -1 1 296.779 3.049 20 0 CGADMM O=C(Nc1cccc(C(F)(F)F)c1)c1cncc([O-])c1 ZINC000082332873 165172384 /nfs/dbraw/zinc/17/23/84/165172384.db2.gz WXDDAKFOHVPGPO-UHFFFAOYSA-N -1 1 282.221 3.058 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1[O-] ZINC000019839951 170888899 /nfs/dbraw/zinc/88/88/99/170888899.db2.gz PBIOZPZFCPGDIA-AOOOYVTPSA-N -1 1 267.756 3.449 20 0 CGADMM CCC(CC)NC(=O)c1cc2ccccc2cc1[O-] ZINC000035152480 172015281 /nfs/dbraw/zinc/01/52/81/172015281.db2.gz IYCFQOSZDMPHEC-UHFFFAOYSA-N -1 1 257.333 3.464 20 0 CGADMM CC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000035238861 172076959 /nfs/dbraw/zinc/07/69/59/172076959.db2.gz PTNARUUJSUGPAQ-JTQLQIEISA-N -1 1 267.756 3.308 20 0 CGADMM CC(C)[C@H](C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000035238928 172077310 /nfs/dbraw/zinc/07/73/10/172077310.db2.gz YADXMVVRXYRKRL-VIFPVBQESA-N -1 1 255.745 3.162 20 0 CGADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000071203176 176078452 /nfs/dbraw/zinc/07/84/52/176078452.db2.gz GANFBGOGMNIFNY-GFCCVEGCSA-N -1 1 276.380 3.076 20 0 CGADMM Cc1cc(F)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000128600451 287314336 /nfs/dbraw/zinc/31/43/36/287314336.db2.gz DFUNGHPGSFJODV-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM Cc1cccc(C)c1NC(=O)c1cc(F)ccc1[O-] ZINC000128600701 287314368 /nfs/dbraw/zinc/31/43/68/287314368.db2.gz XQUPJBQHTBYFRW-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(-c2ccsc2)no1 ZINC000128810995 287318838 /nfs/dbraw/zinc/31/88/38/287318838.db2.gz BVDVNXBJUYIGJZ-UHFFFAOYSA-N -1 1 262.265 3.310 20 0 CGADMM Cc1cccnc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000078442934 177342126 /nfs/dbraw/zinc/34/21/26/177342126.db2.gz PALJHJUTWXJVAX-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM C[C@@H](OCc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000078806956 177390911 /nfs/dbraw/zinc/39/09/11/177390911.db2.gz KDCRUIBRUNEDGL-LLVKDONJSA-N -1 1 289.306 3.075 20 0 CGADMM CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@@H](CC)CO1 ZINC000403908614 416550176 /nfs/dbraw/zinc/55/01/76/416550176.db2.gz MOOWEAQQPQBWOF-NWDGAFQWSA-N -1 1 297.782 3.075 20 0 CGADMM CC[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@@H](C)CO1 ZINC000403876455 416550945 /nfs/dbraw/zinc/55/09/45/416550945.db2.gz MSZAXBINDLPAHH-WFASDCNBSA-N -1 1 299.370 3.185 20 0 CGADMM O=C(CSc1ccncc1)Nc1ccc([O-])c(Cl)c1 ZINC000129562277 287334735 /nfs/dbraw/zinc/33/47/35/287334735.db2.gz FWQQIUBJGWWRHI-UHFFFAOYSA-N -1 1 294.763 3.171 20 0 CGADMM Cc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1C ZINC000681014625 543756577 /nfs/dbraw/zinc/75/65/77/543756577.db2.gz HNZCKSJOUQRZRB-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1ccc([O-])c(F)c1 ZINC000681016544 543756617 /nfs/dbraw/zinc/75/66/17/543756617.db2.gz RCXLUNQMCLLPSD-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM Cc1ccccc1CN(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681015966 543756668 /nfs/dbraw/zinc/75/66/68/543756668.db2.gz WHGNCMOUWKYAGA-UHFFFAOYSA-N -1 1 273.307 3.112 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(F)c2)[C@@H]1C ZINC000681014737 543757039 /nfs/dbraw/zinc/75/70/39/543757039.db2.gz JWHKKNNXNYBLPD-GIPNMCIBSA-N -1 1 265.328 3.086 20 0 CGADMM COc1c(Cl)cccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681020493 543757281 /nfs/dbraw/zinc/75/72/81/543757281.db2.gz CISQYIWERHOYPI-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM O=C(Nc1cccc2ccncc21)c1ccc([O-])c(F)c1 ZINC000681054089 543761220 /nfs/dbraw/zinc/76/12/20/543761220.db2.gz HIZNPUZXARTYIA-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc([O-])c(F)c1 ZINC000681051299 543761419 /nfs/dbraw/zinc/76/14/19/543761419.db2.gz ZBNUKDQUJOSJOG-LLVKDONJSA-N -1 1 285.318 3.118 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)c2ccccc21 ZINC000681055360 543762108 /nfs/dbraw/zinc/76/21/08/543762108.db2.gz GKGBGFIJLXYVRC-UHFFFAOYSA-N -1 1 285.318 3.469 20 0 CGADMM CCCc1cnc(NC(=O)c2ccc([O-])c(F)c2)s1 ZINC000681064338 543762454 /nfs/dbraw/zinc/76/24/54/543762454.db2.gz PHCIEUOCPLJOQF-UHFFFAOYSA-N -1 1 280.324 3.193 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)CC1(C)C ZINC000681070017 543763355 /nfs/dbraw/zinc/76/33/55/543763355.db2.gz UQRWDYNSXHKFDZ-JTQLQIEISA-N -1 1 265.328 3.040 20 0 CGADMM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1ncccc1[O-] ZINC000681738639 543804229 /nfs/dbraw/zinc/80/42/29/543804229.db2.gz ASOXQOURDBJVCZ-KRWDZBQOSA-N -1 1 296.370 3.183 20 0 CGADMM CC[C@@H](NC(=O)c1c([O-])cccc1F)c1c(C)noc1C ZINC000130830660 287364186 /nfs/dbraw/zinc/36/41/86/287364186.db2.gz AOKFQFKMNCSBSZ-LLVKDONJSA-N -1 1 292.310 3.017 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1csc(Cl)c1 ZINC000682516896 543849581 /nfs/dbraw/zinc/84/95/81/543849581.db2.gz LJDPOXSFUVQGTB-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM Cn1ccc2cccc(NC(=O)c3ccc([O-])c(F)c3)c21 ZINC000682688954 543858697 /nfs/dbraw/zinc/85/86/97/543858697.db2.gz XDBCBDGBDIETAB-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM O=c1cc(C2CC2)nc(SC2Cc3ccccc3C2)[n-]1 ZINC000683454314 543915668 /nfs/dbraw/zinc/91/56/68/543915668.db2.gz IYIIHGHIDMWPGI-UHFFFAOYSA-N -1 1 284.384 3.319 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc([O-])c(F)c2)[C@@H]1C ZINC000684615672 544020089 /nfs/dbraw/zinc/02/00/89/544020089.db2.gz AAFABEXMFQIUNO-NQBHXWOUSA-N -1 1 279.355 3.333 20 0 CGADMM O=C(c1ccc(O)cc1[O-])N1CCCCc2sccc21 ZINC000684783324 544029833 /nfs/dbraw/zinc/02/98/33/544029833.db2.gz QPBLFICAENYPDZ-UHFFFAOYSA-N -1 1 289.356 3.142 20 0 CGADMM C[C@H](C(=O)Nc1ccc([O-])c(F)c1F)C1CCCC1 ZINC000654307868 418959434 /nfs/dbraw/zinc/95/94/34/418959434.db2.gz GUAYXBOTSPKPHZ-QMMMGPOBSA-N -1 1 269.291 3.435 20 0 CGADMM Cc1ccc(CN(C)Cc2csc(C(=O)[O-])c2)s1 ZINC000652409283 418962311 /nfs/dbraw/zinc/96/23/11/418962311.db2.gz AQIFZFRUGPSFRJ-UHFFFAOYSA-N -1 1 281.402 3.448 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN(CC)CCC(F)(F)F ZINC000652405573 418963562 /nfs/dbraw/zinc/96/35/62/418963562.db2.gz UYAZWZOUOZPUSP-UHFFFAOYSA-N -1 1 293.285 3.315 20 0 CGADMM CC(C)(C)O[C@@H]1C[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000664850213 419014130 /nfs/dbraw/zinc/01/41/30/419014130.db2.gz PCNLXTUYARUFBX-BXKDBHETSA-N -1 1 292.310 3.252 20 0 CGADMM CC[C@](C)([N-]S(=O)(=O)c1sccc1Cl)C1CC1 ZINC000657178614 419229873 /nfs/dbraw/zinc/22/98/73/419229873.db2.gz YVUDVYQIXVFKRF-NSHDSACASA-N -1 1 293.841 3.259 20 0 CGADMM COc1cccc(CCCSc2ncc(C)c(=O)[n-]2)c1 ZINC000657261765 419238910 /nfs/dbraw/zinc/23/89/10/419238910.db2.gz QHINTTGNCCPHLI-UHFFFAOYSA-N -1 1 290.388 3.224 20 0 CGADMM Cc1cnc(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)[n-]c1=O ZINC000657261888 419239197 /nfs/dbraw/zinc/23/91/97/419239197.db2.gz PQYRWXAVBKJDLF-MXWKQRLJSA-N -1 1 250.367 3.019 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)c(F)c1 ZINC000180743513 260109576 /nfs/dbraw/zinc/10/95/76/260109576.db2.gz RZWOFOYOQGCNOJ-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CO[C@](C)(CNC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000319478278 262230142 /nfs/dbraw/zinc/23/01/42/262230142.db2.gz AQQKOZBQFZUIQN-GOSISDBHSA-N -1 1 299.370 3.090 20 0 CGADMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1C ZINC000187161013 270067988 /nfs/dbraw/zinc/06/79/88/270067988.db2.gz PABNJPHYOSLRSO-UHFFFAOYSA-N -1 1 275.373 3.358 20 0 CGADMM COC1(c2noc(-c3cc(F)ccc3[O-])n2)CCCCC1 ZINC000227834309 270087682 /nfs/dbraw/zinc/08/76/82/270087682.db2.gz FYALODBEGWWRQS-UHFFFAOYSA-N -1 1 292.310 3.387 20 0 CGADMM Cc1ccccc1[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000228833176 270087852 /nfs/dbraw/zinc/08/78/52/270087852.db2.gz PRWLIGYVJCLWDS-LLVKDONJSA-N -1 1 273.307 3.331 20 0 CGADMM CCc1ccnc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)c1 ZINC000358853065 276681788 /nfs/dbraw/zinc/68/17/88/276681788.db2.gz XTSASCIATPZJQD-UHFFFAOYSA-N -1 1 287.269 3.238 20 0 CGADMM CC(C)(C)OCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000308556577 287941229 /nfs/dbraw/zinc/94/12/29/287941229.db2.gz UFMIOUFKFQUBHW-UHFFFAOYSA-N -1 1 287.359 3.090 20 0 CGADMM CC(C)(C)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000083262136 277265995 /nfs/dbraw/zinc/26/59/95/277265995.db2.gz LCMWJRBNDRHCJL-DHZHZOJOSA-N -1 1 261.346 3.308 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)[C@@H]1c1ccccc1 ZINC000181244394 288034032 /nfs/dbraw/zinc/03/40/32/288034032.db2.gz HHLYVMHNVQQVSP-BZNIZROVSA-N -1 1 285.318 3.365 20 0 CGADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000399559551 288052469 /nfs/dbraw/zinc/05/24/69/288052469.db2.gz LACZQSFERNWPGP-KXUCPTDWSA-N -1 1 267.756 3.162 20 0 CGADMM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cncc([O-])c1 ZINC000158399969 280865351 /nfs/dbraw/zinc/86/53/51/280865351.db2.gz AEUYZCHAXUCTOH-MRXNPFEDSA-N -1 1 298.386 3.271 20 0 CGADMM Cc1nn(C(C)(C)C)cc1C(=O)Nc1cccc(F)c1[O-] ZINC000530005592 288281340 /nfs/dbraw/zinc/28/13/40/288281340.db2.gz MPHMFSZOVNRBBH-UHFFFAOYSA-N -1 1 291.326 3.044 20 0 CGADMM O=C(CCC1CCCC1)Nc1cccc(F)c1[O-] ZINC000530007547 288282468 /nfs/dbraw/zinc/28/24/68/288282468.db2.gz OPOWDHMTMQNTRD-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM CC[C@H]1C[C@H](CC(=O)Nc2cccc(F)c2[O-])CCO1 ZINC000530007185 288282479 /nfs/dbraw/zinc/28/24/79/288282479.db2.gz ZNVPSRBOXCJHSU-MNOVXSKESA-N -1 1 281.327 3.065 20 0 CGADMM Cc1cccc2nc(-c3ccc4c(c3)OCCO4)[n-]c(=O)c12 ZINC000344441504 281315963 /nfs/dbraw/zinc/31/59/63/281315963.db2.gz PDGMQPATKNHIDT-UHFFFAOYSA-N -1 1 294.310 3.082 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@H]2CCCc3ccccc32)c([O-])c1 ZINC000547646896 288970007 /nfs/dbraw/zinc/97/00/07/288970007.db2.gz LGMNAEWHMHJVJK-HNNXBMFYSA-N -1 1 296.370 3.245 20 0 CGADMM COCc1ccc(CSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000549375159 289042172 /nfs/dbraw/zinc/04/21/72/289042172.db2.gz GIFXFBVRKUNRPU-UHFFFAOYSA-N -1 1 290.388 3.238 20 0 CGADMM CO[C@H](C)c1nc(=NC[C@@H]2CCC[C@@H](C)[C@@H]2C)s[n-]1 ZINC000509857260 294342408 /nfs/dbraw/zinc/34/24/08/294342408.db2.gz ZSEPZEXYELRXNC-KXNHARMFSA-N -1 1 283.441 3.152 20 0 CGADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@H]1C ZINC000294101766 300189842 /nfs/dbraw/zinc/18/98/42/300189842.db2.gz MSNZZCJDRGCNBD-QWRGUYRKSA-N -1 1 255.317 3.026 20 0 CGADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)C1CCOCC1 ZINC000154776824 321750779 /nfs/dbraw/zinc/75/07/79/321750779.db2.gz BXWJFGVNCGPCCL-VIFPVBQESA-N -1 1 283.755 3.047 20 0 CGADMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccc([O-])cc1F ZINC000154928314 321753333 /nfs/dbraw/zinc/75/33/33/321753333.db2.gz VXRPKKIYCKLOKD-HIFRSBDPSA-N -1 1 277.339 3.230 20 0 CGADMM O=C([O-])c1ccccc1CCN1CC=C(C(F)(F)F)CC1 ZINC000563632641 322005306 /nfs/dbraw/zinc/00/53/06/322005306.db2.gz YCIRXFFWZHOWMK-UHFFFAOYSA-N -1 1 299.292 3.122 20 0 CGADMM Cc1ccc(CN(Cc2oncc2C(=O)[O-])C(C)C)s1 ZINC000565101678 322059853 /nfs/dbraw/zinc/05/98/53/322059853.db2.gz SLKXVGRUUYWXLK-UHFFFAOYSA-N -1 1 294.376 3.153 20 0 CGADMM CCN(Cc1ccc(C(=O)[O-])o1)Cc1cccc(F)c1 ZINC000565720018 322088419 /nfs/dbraw/zinc/08/84/19/322088419.db2.gz DFXCQHUWOZIORB-UHFFFAOYSA-N -1 1 277.295 3.139 20 0 CGADMM COc1ccc([C@@H](C)N(C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000570403057 322272888 /nfs/dbraw/zinc/27/28/88/322272888.db2.gz HHLBVGLLANWJFT-LLVKDONJSA-N -1 1 289.331 3.179 20 0 CGADMM CCc1nc(C)c(CSc2nc(CC)c(C)c(=O)[n-]2)o1 ZINC000572424478 322336722 /nfs/dbraw/zinc/33/67/22/322336722.db2.gz IDQUQJAZAHUENK-UHFFFAOYSA-N -1 1 293.392 3.204 20 0 CGADMM FC(F)(F)c1nc(=N[C@@H]2CC[C@H]3CCC[C@H]3C2)s[n-]1 ZINC000572507862 322340572 /nfs/dbraw/zinc/34/05/72/322340572.db2.gz FOASAEPXOGJKMA-HRDYMLBCSA-N -1 1 291.342 3.360 20 0 CGADMM CCc1nc(S[C@H]2CCCC(C)(C)C2=O)[n-]c(=O)c1C ZINC000572781889 322354693 /nfs/dbraw/zinc/35/46/93/322354693.db2.gz BAFWIPSWAWCMEX-NSHDSACASA-N -1 1 294.420 3.293 20 0 CGADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1nc(C(C)(C)C)cs1 ZINC000397098184 329327609 /nfs/dbraw/zinc/32/76/09/329327609.db2.gz NDUDAQHRSVYBBX-QWRGUYRKSA-N -1 1 296.436 3.126 20 0 CGADMM CCSCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000380062244 335308561 /nfs/dbraw/zinc/30/85/61/335308561.db2.gz VRVLOXCPFYPRHG-UHFFFAOYSA-N -1 1 289.400 3.418 20 0 CGADMM CCC[C@@H](C)S(=O)(=O)[N-]c1cc(C)n([C@H](C)CC)n1 ZINC000579237168 335725424 /nfs/dbraw/zinc/72/54/24/335725424.db2.gz WTYXQKFRVHMTLL-ZYHUDNBSSA-N -1 1 287.429 3.093 20 0 CGADMM CCc1nc(SCC(=O)C2CCCCC2)[n-]c(=O)c1C ZINC000580845441 335975240 /nfs/dbraw/zinc/97/52/40/335975240.db2.gz ZDBJVXAZFUHBAV-UHFFFAOYSA-N -1 1 294.420 3.295 20 0 CGADMM Cc1oc([C@@H](C)N2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000581076461 336004941 /nfs/dbraw/zinc/00/49/41/336004941.db2.gz DOLQNEJQPNRMQY-LLVKDONJSA-N -1 1 285.343 3.406 20 0 CGADMM Cc1cc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)ccc1Cl ZINC000581416678 336073319 /nfs/dbraw/zinc/07/33/19/336073319.db2.gz KDTVGTMYZNLTGC-GFCCVEGCSA-N -1 1 281.783 3.335 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(C)c2)c1 ZINC000436502686 534231945 /nfs/dbraw/zinc/23/19/45/534231945.db2.gz FFCKEGJOJLCPBY-UHFFFAOYSA-N -1 1 299.326 3.048 20 0 CGADMM O=C(NCCc1cccc(Cl)c1)c1ccc([O-])cc1F ZINC000181057380 534466591 /nfs/dbraw/zinc/46/65/91/534466591.db2.gz KJMKRVRGFMQDNF-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC2CCC1CC2 ZINC000367693994 534695255 /nfs/dbraw/zinc/69/52/55/534695255.db2.gz NVYUWMXWCCQIKI-UHFFFAOYSA-N -1 1 299.292 3.426 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC(C2CCC2)C1 ZINC000436863886 534726574 /nfs/dbraw/zinc/72/65/74/534726574.db2.gz KLSKJISHHVAPOI-UHFFFAOYSA-N -1 1 281.355 3.418 20 0 CGADMM CCc1ccc2nc(NC(=O)c3cncc([O-])c3)sc2c1 ZINC000111546985 524060699 /nfs/dbraw/zinc/06/06/99/524060699.db2.gz ZZOYTCMVKYXTSC-UHFFFAOYSA-N -1 1 299.355 3.212 20 0 CGADMM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000111571364 525990269 /nfs/dbraw/zinc/99/02/69/525990269.db2.gz KAMLGSDYWUUQRT-NSHDSACASA-N -1 1 296.326 3.333 20 0 CGADMM CC(C)(C)CC(C)(C)NC(=O)c1ccc([O-])cc1F ZINC000181860922 527650144 /nfs/dbraw/zinc/65/01/44/527650144.db2.gz SYDJDGQZNSYTHF-UHFFFAOYSA-N -1 1 267.344 3.476 20 0 CGADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)C1CC1 ZINC000442658028 527784601 /nfs/dbraw/zinc/78/46/01/527784601.db2.gz ZIMGEQQMIPOGAC-UHFFFAOYSA-N -1 1 283.755 3.069 20 0 CGADMM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cncc([O-])c1)CC2 ZINC000354811477 528154529 /nfs/dbraw/zinc/15/45/29/528154529.db2.gz DWINSNVLTUGIEA-QGZVFWFLSA-N -1 1 296.370 3.328 20 0 CGADMM CC(F)(F)CCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000450908079 535206843 /nfs/dbraw/zinc/20/68/43/535206843.db2.gz LKOOBDZPLMFQEL-UHFFFAOYSA-N -1 1 260.309 3.197 20 0 CGADMM Cc1ccccc1Oc1cccc(F)c1-c1nnn[n-]1 ZINC000737431247 572342097 /nfs/dbraw/zinc/34/20/97/572342097.db2.gz GUKSAWYAZRPGFQ-UHFFFAOYSA-N -1 1 270.267 3.107 20 0 CGADMM Cc1ccccc1Oc1cccc(F)c1-c1nn[n-]n1 ZINC000737431247 572342100 /nfs/dbraw/zinc/34/21/00/572342100.db2.gz GUKSAWYAZRPGFQ-UHFFFAOYSA-N -1 1 270.267 3.107 20 0 CGADMM CC(C)C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730849752 572381324 /nfs/dbraw/zinc/38/13/24/572381324.db2.gz JRKJCDLZFARAFL-UHFFFAOYSA-N -1 1 291.130 3.081 20 0 CGADMM Cc1[nH]c2c(cc(C)cc2C[N-]C(=O)C(F)(F)F)c1C ZINC000725892135 572483522 /nfs/dbraw/zinc/48/35/22/572483522.db2.gz ZXDRMLQMZVXAHS-UHFFFAOYSA-N -1 1 284.281 3.272 20 0 CGADMM CS[C@H]1CC[C@@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000743728655 572681480 /nfs/dbraw/zinc/68/14/80/572681480.db2.gz NSWPMBJVJDKDGT-BDAKNGLRSA-N -1 1 285.796 3.060 20 0 CGADMM O=S(=O)([N-]c1ccsc1)c1cccc2c1CCCC2 ZINC000748642842 572981705 /nfs/dbraw/zinc/98/17/05/572981705.db2.gz NHHTZIJNECKUNO-UHFFFAOYSA-N -1 1 293.413 3.428 20 0 CGADMM O=C(NCc1cccc(F)n1)c1cc2ccccc2cc1[O-] ZINC000749167771 572990322 /nfs/dbraw/zinc/99/03/22/572990322.db2.gz WCIQFUIQNQFTPJ-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC000235518093 598192342 /nfs/dbraw/zinc/19/23/42/598192342.db2.gz WQGBLXQJBWLJBU-NSHDSACASA-N -1 1 273.307 3.375 20 0 CGADMM CN(Cc1ccc(F)cc1)[C@H](C(=O)[O-])c1ccccc1F ZINC000830825203 600982722 /nfs/dbraw/zinc/98/27/22/600982722.db2.gz HMAAELPQDYOVAE-HNNXBMFYSA-N -1 1 291.297 3.223 20 0 CGADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])co2)[C@H]1c1ccccc1 ZINC000828455662 601178845 /nfs/dbraw/zinc/17/88/45/601178845.db2.gz DVCVUHIOUFPTFB-IAQYHMDHSA-N -1 1 271.316 3.171 20 0 CGADMM C/C(=C\CN1CCC(=Cc2ccccc2F)CC1)C(=O)[O-] ZINC000825734392 601659865 /nfs/dbraw/zinc/65/98/65/601659865.db2.gz ITRPRYRCFMRIEC-AWNIVKPZSA-N -1 1 289.350 3.336 20 0 CGADMM Cc1ccc(Cl)cc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000899362538 620669634 /nfs/dbraw/zinc/66/96/34/620669634.db2.gz WQEKNJQJIDMWGW-TVQRCGJNSA-N -1 1 262.740 3.397 20 0 CGADMM CC(C)Sc1ccc([C@H](C)NC2CN(C(=O)[O-])C2)cc1 ZINC000833508472 605003672 /nfs/dbraw/zinc/00/36/72/605003672.db2.gz WHBRRZTUOSAHJA-NSHDSACASA-N -1 1 294.420 3.200 20 0 CGADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H]1c1ccccc1 ZINC000833546469 605042988 /nfs/dbraw/zinc/04/29/88/605042988.db2.gz GOUTYPDNKNYQAI-AAEUAGOBSA-N -1 1 271.316 3.486 20 0 CGADMM CC(C)(NCc1ccoc1C(=O)[O-])c1cccc(F)c1 ZINC000833461271 605142272 /nfs/dbraw/zinc/14/22/72/605142272.db2.gz ZGOMSEUJUAXAHT-UHFFFAOYSA-N -1 1 277.295 3.142 20 0 CGADMM CC(C)(NCc1ccoc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000833460595 605170806 /nfs/dbraw/zinc/17/08/06/605170806.db2.gz GGVNNWILQALOBP-UHFFFAOYSA-N -1 1 295.285 3.281 20 0 CGADMM O=C(NCc1ccc(Cl)nc1)c1cc(Cl)ccc1[O-] ZINC000121017576 617926069 /nfs/dbraw/zinc/92/60/69/617926069.db2.gz NDEFYISCDYGECN-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM O=C([N-]OCc1ccccc1)C1(Cc2ccccc2)CC1 ZINC000177407560 617931086 /nfs/dbraw/zinc/93/10/86/617931086.db2.gz VYHDRVJBQVPABL-UHFFFAOYSA-N -1 1 281.355 3.257 20 0 CGADMM C/C(=C/C(=O)[N-]O[C@@H]1CCCCO1)c1ccccc1Cl ZINC000066645445 618863446 /nfs/dbraw/zinc/86/34/46/618863446.db2.gz KFKVGJHYBXJFMH-JQPIKURYSA-N -1 1 295.766 3.318 20 0 CGADMM CCc1cc(=O)[n-]c(SCCSc2ccccc2)n1 ZINC000195057857 619146196 /nfs/dbraw/zinc/14/61/96/619146196.db2.gz SQXKPOATXJAAST-UHFFFAOYSA-N -1 1 292.429 3.217 20 0 CGADMM COc1cc(C)sc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188351891 619244852 /nfs/dbraw/zinc/24/48/52/619244852.db2.gz MIPHBTCTQPRURY-UHFFFAOYSA-N -1 1 298.751 3.071 20 0 CGADMM O=C(C[C@@H]1CCC2(CCC2)CO1)Nc1c([O-])cccc1F ZINC000896403532 620002347 /nfs/dbraw/zinc/00/23/47/620002347.db2.gz RLJGNNFLVVUXJR-NSHDSACASA-N -1 1 293.338 3.209 20 0 CGADMM O=C(C[C@H]1CCCc2ccccc21)[N-]OCc1ccccn1 ZINC000909534002 620023599 /nfs/dbraw/zinc/02/35/99/620023599.db2.gz PXXVCNFCZUWCOF-OAHLLOKOSA-N -1 1 296.370 3.140 20 0 CGADMM Cc1ccc(-c2ccc(CN3CCC[C@@H]3C(=O)[O-])o2)cc1 ZINC000263380344 620315026 /nfs/dbraw/zinc/31/50/26/620315026.db2.gz BMZSKRYKQSUQMS-OAHLLOKOSA-N -1 1 285.343 3.304 20 0 CGADMM Cc1cc(F)ccc1-c1ccc(CN(C)[C@H](C)C(=O)[O-])o1 ZINC000263441245 620319445 /nfs/dbraw/zinc/31/94/45/620319445.db2.gz WNILTQAKBOIDCT-LLVKDONJSA-N -1 1 291.322 3.299 20 0 CGADMM Cc1nccc(NC2CCC(C(=O)[O-])CC2)c1Cl ZINC000263550164 620326216 /nfs/dbraw/zinc/32/62/16/620326216.db2.gz KFFVPKUXZSBNGS-UHFFFAOYSA-N -1 1 268.744 3.099 20 0 CGADMM Cc1cc(C)nc(CSc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000901531900 620915534 /nfs/dbraw/zinc/91/55/34/620915534.db2.gz UWVJZBPGJNRMHS-UHFFFAOYSA-N -1 1 275.377 3.103 20 0 CGADMM CCc1cccc(CNCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000901940720 621071509 /nfs/dbraw/zinc/07/15/09/621071509.db2.gz YCJBIFTWJWSDBK-UHFFFAOYSA-N -1 1 273.332 3.138 20 0 CGADMM O=C([O-])c1ccc(CN[C@@H]2CCc3c2cccc3Cl)o1 ZINC000902175739 621176340 /nfs/dbraw/zinc/17/63/40/621176340.db2.gz UTZCFNCWRSRRNN-CYBMUJFWSA-N -1 1 291.734 3.408 20 0 CGADMM Cc1oc(CN[C@H]2CCc3ccc(C)cc32)cc1C(=O)[O-] ZINC000902231038 621203079 /nfs/dbraw/zinc/20/30/79/621203079.db2.gz NOSLTDXRQYRXSP-INIZCTEOSA-N -1 1 285.343 3.372 20 0 CGADMM Cc1nc2cc(NCc3cc(C(=O)[O-])c(C)o3)ccc2n1C ZINC000902326091 621262877 /nfs/dbraw/zinc/26/28/77/621262877.db2.gz DHAYOQOSMYBCGB-UHFFFAOYSA-N -1 1 299.330 3.093 20 0 CGADMM CCN(Cc1csc(C(=O)[O-])c1)Cc1occc1C ZINC000902382210 621298507 /nfs/dbraw/zinc/29/85/07/621298507.db2.gz REWZTHOEVLHJJQ-UHFFFAOYSA-N -1 1 279.361 3.370 20 0 CGADMM CC(C)CC1(C)CCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC000902459829 621336465 /nfs/dbraw/zinc/33/64/65/621336465.db2.gz PYJPHABWJRXHCO-UHFFFAOYSA-N -1 1 280.368 3.021 20 0 CGADMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)CC1(F)CC1 ZINC000903627713 621778308 /nfs/dbraw/zinc/77/83/08/621778308.db2.gz FNCGTKMDXXFHKO-UHFFFAOYSA-N -1 1 295.738 3.031 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(C(=O)[O-])s2)o1 ZINC000903676583 621787150 /nfs/dbraw/zinc/78/71/50/621787150.db2.gz ASMRFEQRNHEULA-CABZTGNLSA-N -1 1 291.372 3.453 20 0 CGADMM CCN(CCC1(C(=O)[O-])CCC1)Cc1c(F)cccc1F ZINC000903696389 621791164 /nfs/dbraw/zinc/79/11/64/621791164.db2.gz VFFZDPGYHXRROH-UHFFFAOYSA-N -1 1 297.345 3.432 20 0 CGADMM CC[C@H](NCC(C)=Cc1ccccc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064804 621862233 /nfs/dbraw/zinc/86/22/33/621862233.db2.gz MWXPSHHYMFGDPB-TZIYXEQSSA-N -1 1 299.374 3.252 20 0 CGADMM CC(C)(/C=C\Cl)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000921510980 625522711 /nfs/dbraw/zinc/52/27/11/625522711.db2.gz YXZIXTIPFFRALE-WAYWQWQTSA-N -1 1 299.726 3.027 20 0 CGADMM Cc1cc(F)ccc1[C@@H](C)NCc1cc(C(=O)[O-])co1 ZINC000905726692 622101126 /nfs/dbraw/zinc/10/11/26/622101126.db2.gz FTBZTECLADJICK-SNVBAGLBSA-N -1 1 277.295 3.276 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)C1CC2(CC2)C1 ZINC000908709644 622369269 /nfs/dbraw/zinc/36/92/69/622369269.db2.gz IPWVNHYQWBTAGM-UHFFFAOYSA-N -1 1 296.164 3.283 20 0 CGADMM CC1(C)CC[C@H](CC(=O)Nc2cc([O-])c(F)cc2F)OC1 ZINC000909971003 622440380 /nfs/dbraw/zinc/44/03/80/622440380.db2.gz CDOYWEQXLTUPOG-SECBINFHSA-N -1 1 299.317 3.204 20 0 CGADMM CC1(C(=O)Nc2cc([O-])c(F)cc2F)CC(F)(F)C1 ZINC000909972433 622440420 /nfs/dbraw/zinc/44/04/20/622440420.db2.gz MSEMUPUGECQMKX-UHFFFAOYSA-N -1 1 277.217 3.044 20 0 CGADMM CS[C@H](C)CCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909985887 622441020 /nfs/dbraw/zinc/44/10/20/622441020.db2.gz RXUKEFXKCFNCFL-SSDOTTSWSA-N -1 1 275.320 3.141 20 0 CGADMM Cc1oc(C(C)C)nc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987017 622443494 /nfs/dbraw/zinc/44/34/94/622443494.db2.gz FWGURJDFGVAQSK-UHFFFAOYSA-N -1 1 296.273 3.343 20 0 CGADMM CC(=O)CC(C)(C)CC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910987661 622512879 /nfs/dbraw/zinc/51/28/79/622512879.db2.gz CJVKWZSJFKDVCW-UHFFFAOYSA-N -1 1 285.290 3.004 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C1CC2(CCC2)C1 ZINC000910986885 622513669 /nfs/dbraw/zinc/51/36/69/622513669.db2.gz PHZGTDCGZZRTGZ-UHFFFAOYSA-N -1 1 267.275 3.189 20 0 CGADMM CC(C)(C)C(=O)CCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910988506 622513837 /nfs/dbraw/zinc/51/38/37/622513837.db2.gz QGDKLOAYBOGGKN-UHFFFAOYSA-N -1 1 299.317 3.394 20 0 CGADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910988358 622514118 /nfs/dbraw/zinc/51/41/18/622514118.db2.gz DLIXNYUEOYMFPV-MWLCHTKSSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@]1(C(=O)Nc2cc(F)cc(F)c2[O-])CC=CCC1 ZINC000910988736 622514235 /nfs/dbraw/zinc/51/42/35/622514235.db2.gz RSDHHKNMXHFNGK-AWEZNQCLSA-N -1 1 267.275 3.355 20 0 CGADMM Cc1ncc(CSC[C@H](C)C(=O)c2ccc([O-])cc2)o1 ZINC000912431778 622648854 /nfs/dbraw/zinc/64/88/54/622648854.db2.gz KYUREEVJDRCZHW-JTQLQIEISA-N -1 1 291.372 3.441 20 0 CGADMM CN(Cc1ccc(O)cc1)C(=O)c1c([O-])cccc1Cl ZINC000057308395 622869106 /nfs/dbraw/zinc/86/91/06/622869106.db2.gz XTQSOWSNYLZEIE-UHFFFAOYSA-N -1 1 291.734 3.023 20 0 CGADMM O=C([O-])c1coc(CN[C@H]2CCSc3ccccc32)c1 ZINC000228164891 623045774 /nfs/dbraw/zinc/04/57/74/623045774.db2.gz KBEVQOFLTHPXIY-ZDUSSCGKSA-N -1 1 289.356 3.305 20 0 CGADMM C[C@H](CSC[C@@H]1CCCO1)C(=O)c1ccc([O-])cc1 ZINC000917552666 624287071 /nfs/dbraw/zinc/28/70/71/624287071.db2.gz KFQGUJVMSVTZTE-RISCZKNCSA-N -1 1 280.389 3.123 20 0 CGADMM Cc1cnc(SCc2coc(C(C)(C)C)n2)[n-]c1=O ZINC000917777333 624311089 /nfs/dbraw/zinc/31/10/89/624311089.db2.gz DIQSQFAYDDECLR-UHFFFAOYSA-N -1 1 279.365 3.068 20 0 CGADMM Cc1cc(NC(=O)c2ccc([O-])cc2F)ccc1N(C)C ZINC000181875879 624906239 /nfs/dbraw/zinc/90/62/39/624906239.db2.gz CXHQKPDOEYFRTQ-UHFFFAOYSA-N -1 1 288.322 3.158 20 0 CGADMM C[C@@H](C(=O)[N-]OCc1ccc(F)cc1)c1ccccc1 ZINC000184151622 625207111 /nfs/dbraw/zinc/20/71/11/625207111.db2.gz LOWHOTVVSIUSJJ-GFCCVEGCSA-N -1 1 273.307 3.177 20 0 CGADMM O=C([O-])C[C@@H](NCc1cccnc1Cl)c1cccs1 ZINC000789897646 626367715 /nfs/dbraw/zinc/36/77/15/626367715.db2.gz MWKGGCGCUNTFSW-SNVBAGLBSA-N -1 1 296.779 3.102 20 0 CGADMM CC(C)C1(CNC(=O)c2c([O-])cccc2Cl)CC1 ZINC000753338694 626450376 /nfs/dbraw/zinc/45/03/76/626450376.db2.gz SFAHELJXFREEJE-UHFFFAOYSA-N -1 1 267.756 3.212 20 0 CGADMM C[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)C(C)(C)C ZINC000754028618 626472438 /nfs/dbraw/zinc/47/24/38/626472438.db2.gz YMNNCPYZRXTYOJ-NSHDSACASA-N -1 1 295.404 3.393 20 0 CGADMM O=C([O-])C[C@@H](NCc1ccc(Cl)nc1)c1ccsc1 ZINC000756280749 626689167 /nfs/dbraw/zinc/68/91/67/626689167.db2.gz DMKBYKHRISCMCQ-LLVKDONJSA-N -1 1 296.779 3.102 20 0 CGADMM C[C@@H](CNC(=O)c1c([O-])cccc1Cl)c1nccs1 ZINC000756690056 626726617 /nfs/dbraw/zinc/72/66/17/626726617.db2.gz XOQSFMZCSGBTJU-QMMMGPOBSA-N -1 1 296.779 3.036 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])c(Cl)n1 ZINC000759701676 626916677 /nfs/dbraw/zinc/91/66/77/626916677.db2.gz NVIAWOVSHBYQEP-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ncc(C(C)C)o2)n1 ZINC000767058624 627378815 /nfs/dbraw/zinc/37/88/15/627378815.db2.gz ZHXNSJCDLDLAAU-UHFFFAOYSA-N -1 1 279.365 3.148 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCCc2cc(F)ccc21 ZINC000767296678 627396570 /nfs/dbraw/zinc/39/65/70/627396570.db2.gz GIWXGHYKPARIPG-UHFFFAOYSA-N -1 1 289.281 3.263 20 0 CGADMM CCCN(CC(F)(F)F)C(=O)c1c([O-])cccc1Cl ZINC000769737402 627575558 /nfs/dbraw/zinc/57/55/58/627575558.db2.gz BNGQVDYYRVYOCG-UHFFFAOYSA-N -1 1 295.688 3.460 20 0 CGADMM CC[C@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000769758317 627576637 /nfs/dbraw/zinc/57/66/37/627576637.db2.gz BMAOWKUNXZHUTG-VIFPVBQESA-N -1 1 253.729 3.060 20 0 CGADMM C[C@@H](Cc1nc(-c2ccc([O-])cc2F)no1)C1CC1 ZINC000771211158 627690739 /nfs/dbraw/zinc/69/07/39/627690739.db2.gz LSBUVWIWEIDFND-QMMMGPOBSA-N -1 1 262.284 3.170 20 0 CGADMM O=C(N[C@@H]1CC12CCCCC2)c1c([O-])cccc1Cl ZINC000771284779 627696538 /nfs/dbraw/zinc/69/65/38/627696538.db2.gz UMHINWNFGPCOTG-GFCCVEGCSA-N -1 1 279.767 3.498 20 0 CGADMM C[C@@H](OC(=O)c1cn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000805607185 628350703 /nfs/dbraw/zinc/35/07/03/628350703.db2.gz SLOYTWWBQNCJMR-ZCFIWIBFSA-N -1 1 286.118 3.030 20 0 CGADMM CCCCCCC(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC000783985823 628762621 /nfs/dbraw/zinc/76/26/21/628762621.db2.gz HFJJPYUBLOJRSA-UHFFFAOYSA-N -1 1 282.409 3.431 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccc(SC)cc2)n1 ZINC000788505623 629060680 /nfs/dbraw/zinc/06/06/80/629060680.db2.gz MUDOTQNNVVOGFZ-UHFFFAOYSA-N -1 1 294.401 3.211 20 0 CGADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790048510 629179763 /nfs/dbraw/zinc/17/97/63/629179763.db2.gz RQWRSHLRXZVXGR-BDAKNGLRSA-N -1 1 268.744 3.205 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])C(F)=C1CCCC1 ZINC000790050551 629180303 /nfs/dbraw/zinc/18/03/03/629180303.db2.gz FTCAKIJJQQTWBS-UHFFFAOYSA-N -1 1 270.691 3.177 20 0 CGADMM COc1cc(C(=O)N2CCCCCCC2)cc(Cl)c1[O-] ZINC000790091400 629183528 /nfs/dbraw/zinc/18/35/28/629183528.db2.gz SNAPPAKALUXFNV-UHFFFAOYSA-N -1 1 297.782 3.461 20 0 CGADMM C[C@H](C(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000119175110 629447750 /nfs/dbraw/zinc/44/77/50/629447750.db2.gz XWPSYUQVBKGBGB-ZDUSSCGKSA-N -1 1 255.317 3.038 20 0 CGADMM CCc1nc(SCCCC2CC2)[n-]c(=O)c1C ZINC000865370007 630079310 /nfs/dbraw/zinc/07/93/10/630079310.db2.gz GPXDGVUMJUTZOR-UHFFFAOYSA-N -1 1 252.383 3.335 20 0 CGADMM Cc1ccc(CSc2ncc(C)c(=O)[n-]2)nc1Cl ZINC000865369283 630079789 /nfs/dbraw/zinc/07/97/89/630079789.db2.gz PUVAKRUGRBAHSN-UHFFFAOYSA-N -1 1 281.768 3.140 20 0 CGADMM CC(C)(C)OCCCC(=O)Nc1c([O-])cccc1F ZINC000802887940 630424606 /nfs/dbraw/zinc/42/46/06/630424606.db2.gz VFIBVCRBDOIVHF-UHFFFAOYSA-N -1 1 269.316 3.065 20 0 CGADMM CCOCCO[N-]C(=O)[C@@H](C)c1cccc(CC(C)C)c1 ZINC000803118463 630448372 /nfs/dbraw/zinc/44/83/72/630448372.db2.gz SWPPLNNLOBGOPZ-AWEZNQCLSA-N -1 1 293.407 3.073 20 0 CGADMM Cc1cc2c(cc1C)N(C(=O)c1cc(F)ccc1[O-])CC2 ZINC000804320641 630519972 /nfs/dbraw/zinc/51/99/72/630519972.db2.gz UTIDHFATWBIXAP-UHFFFAOYSA-N -1 1 285.318 3.351 20 0 CGADMM CCCN(CC1CC1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395208 634826882 /nfs/dbraw/zinc/82/68/82/634826882.db2.gz XCGYBHCTIBBPPH-UHFFFAOYSA-N -1 1 296.798 3.377 20 0 CGADMM O=C([N-]Cc1ccc2sccc2c1)C(F)(F)F ZINC000811588936 631087931 /nfs/dbraw/zinc/08/79/31/631087931.db2.gz FFFXUPOVTXFLJN-UHFFFAOYSA-N -1 1 259.252 3.080 20 0 CGADMM COc1cnc(C=Cc2cccc(C(F)(F)F)c2)[n-]c1=O ZINC000821007362 632710633 /nfs/dbraw/zinc/71/06/33/632710633.db2.gz HJYQDLCTHIMBLG-WAYWQWQTSA-N -1 1 296.248 3.380 20 0 CGADMM COc1cnc(C=Cc2ccc(SC)cc2)[n-]c1=O ZINC000821007740 632711414 /nfs/dbraw/zinc/71/14/14/632711414.db2.gz KVSZYWYBIMQKGG-YVMONPNESA-N -1 1 274.345 3.083 20 0 CGADMM O=C(C[C@@H]1CCCC1(F)F)Nc1cc([O-])c(F)cc1F ZINC000822542941 632967005 /nfs/dbraw/zinc/96/70/05/632967005.db2.gz LDPVWWRMBUWRBB-ZETCQYMHSA-N -1 1 291.244 3.434 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000822543689 632968607 /nfs/dbraw/zinc/96/86/07/632968607.db2.gz ZEEPFNTUVPLFMA-OWUUHHOZSA-N -1 1 281.302 3.435 20 0 CGADMM O=C(C[C@H]1CC=CCC1)Nc1cc(F)cc(F)c1[O-] ZINC000822977612 633045217 /nfs/dbraw/zinc/04/52/17/633045217.db2.gz TXUXNOZNURVBDA-VIFPVBQESA-N -1 1 267.275 3.355 20 0 CGADMM O=S(=O)([N-][C@@H]1CCCC12CC2)c1cc2ccccc2o1 ZINC000867580308 633253616 /nfs/dbraw/zinc/25/36/16/633253616.db2.gz ZAABHODLKJRQCB-CYBMUJFWSA-N -1 1 291.372 3.044 20 0 CGADMM CC[C@](C)(O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000826927502 633444146 /nfs/dbraw/zinc/44/41/46/633444146.db2.gz CKAJWEORZCBHLU-HNNXBMFYSA-N -1 1 293.750 3.298 20 0 CGADMM CCc1[n-]n(-c2cccc(Cl)n2)c(=O)c1C(C)C ZINC000871950345 633923933 /nfs/dbraw/zinc/92/39/33/633923933.db2.gz CWUZUSFUIBUKQE-LBPRGKRZSA-N -1 1 265.744 3.120 20 0 CGADMM CCc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1F ZINC000871948904 633924155 /nfs/dbraw/zinc/92/41/55/633924155.db2.gz HUWOOONLLZSDKT-LLVKDONJSA-N -1 1 299.143 3.208 20 0 CGADMM CCc1[n-]n(-c2cccc(Cl)n2)c(=O)c1C(C)C ZINC000871950343 633924326 /nfs/dbraw/zinc/92/43/26/633924326.db2.gz CWUZUSFUIBUKQE-GFCCVEGCSA-N -1 1 265.744 3.120 20 0 CGADMM CCc1[n-]n(-c2nc(F)ccc2Cl)c(=O)c1C(C)C ZINC000871958844 633928562 /nfs/dbraw/zinc/92/85/62/633928562.db2.gz KZNWRNQSURTCMG-LLVKDONJSA-N -1 1 283.734 3.259 20 0 CGADMM CCCc1c(C)[n-]n([C@H]2CCOC3(CCCC3)C2)c1=O ZINC000871963307 633930223 /nfs/dbraw/zinc/93/02/23/633930223.db2.gz GDJYXDAKMFKDSX-UONOGXRCSA-N -1 1 278.396 3.113 20 0 CGADMM CCc1c(C(C)C)[n-]n(C[C@H]2CCCC2(F)F)c1=O ZINC000871963692 633930510 /nfs/dbraw/zinc/93/05/10/633930510.db2.gz RNWBOXGJGSWKIP-MNOVXSKESA-N -1 1 272.339 3.302 20 0 CGADMM CO[C@@H]1CC[C@H](C)N(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000872160745 634070983 /nfs/dbraw/zinc/07/09/83/634070983.db2.gz JDULYRYBMRMUKD-GXFFZTMASA-N -1 1 297.782 3.038 20 0 CGADMM Cc1nc(-c2ccc(N[C@@H]3CC34CCC4)nc2)[n-]c(=O)c1C ZINC000872774521 634206317 /nfs/dbraw/zinc/20/63/17/634206317.db2.gz CSSMRLHDLSCTGH-CYBMUJFWSA-N -1 1 296.374 3.216 20 0 CGADMM C[C@H]1CCC[C@]1(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834823663 634247944 /nfs/dbraw/zinc/24/79/44/634247944.db2.gz ZOCXILKHVVRPEF-BONVTDFDSA-N -1 1 281.783 3.488 20 0 CGADMM C[C@]1(C(=O)NCc2ccc([O-])c(Cl)c2)C[C@H]2C[C@H]2C1 ZINC000834821768 634248724 /nfs/dbraw/zinc/24/87/24/634248724.db2.gz GCGFTOGBZNDDDL-HBYGRHMLSA-N -1 1 279.767 3.098 20 0 CGADMM CC1(C)CC[C@@H](C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000834825499 634249116 /nfs/dbraw/zinc/24/91/16/634249116.db2.gz LIIURINRVUKWOX-LLVKDONJSA-N -1 1 281.783 3.488 20 0 CGADMM C[C@H]1CC[C@H](CCC(=O)NCc2ccc([O-])c(Cl)c2)O1 ZINC000834828827 634249688 /nfs/dbraw/zinc/24/96/88/634249688.db2.gz ASRPYCMIPAJQBD-CMPLNLGQSA-N -1 1 297.782 3.010 20 0 CGADMM [O-]c1ccc(-c2noc(C3SCCCS3)n2)cc1F ZINC000842496651 635384280 /nfs/dbraw/zinc/38/42/80/635384280.db2.gz DKQZWGVZRUZVFD-UHFFFAOYSA-N -1 1 298.364 3.450 20 0 CGADMM CC(C)CO[N-]C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000845859133 636109759 /nfs/dbraw/zinc/10/97/59/636109759.db2.gz JJOVAJLHZQBILG-JTQLQIEISA-N -1 1 255.745 3.147 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H]2CC(C)(C)OC2(C)C)n1 ZINC000882159031 636273080 /nfs/dbraw/zinc/27/30/80/636273080.db2.gz PSVHOUJZPFTKNV-JTQLQIEISA-N -1 1 296.436 3.430 20 0 CGADMM CCc1nc(SC[C@H]2CCCC(C)(C)O2)[n-]c(=O)c1C ZINC000882178064 636280047 /nfs/dbraw/zinc/28/00/47/636280047.db2.gz ZFVXAPHRZJBBEZ-LLVKDONJSA-N -1 1 296.436 3.493 20 0 CGADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)[C@H]1CCCCO1 ZINC000848350108 636561636 /nfs/dbraw/zinc/56/16/36/636561636.db2.gz MNLKYFDMELTOPA-DGCLKSJQSA-N -1 1 297.782 3.123 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@]12CCC[C@H]1OCC2 ZINC000885679880 637283656 /nfs/dbraw/zinc/28/36/56/637283656.db2.gz IGGWSDUTENBIFU-OCCSQVGLSA-N -1 1 299.729 3.082 20 0 CGADMM CC(C)C[C@H](C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266740 637473549 /nfs/dbraw/zinc/47/35/49/637473549.db2.gz XCLVTMVTAWEZNA-JTQLQIEISA-N -1 1 285.334 3.011 20 0 CGADMM CC(C)(CNC(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000887368225 637806613 /nfs/dbraw/zinc/80/66/13/637806613.db2.gz ANPFPRRHHCADTE-UHFFFAOYSA-N -1 1 281.783 3.141 20 0 CGADMM C[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C(F)(F)F ZINC000885676978 638040074 /nfs/dbraw/zinc/04/00/74/638040074.db2.gz XVTDSSMDGIGYCT-BYPYZUCNSA-N -1 1 285.624 3.322 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C=C[C@]1(C)CC[C@H](C)C1(C)C ZINC000854633214 638079387 /nfs/dbraw/zinc/07/93/87/638079387.db2.gz SIYZJLIIUAPIHY-YVTKCFOCSA-N -1 1 291.395 3.381 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H](CCF)C1 ZINC000855826753 638259689 /nfs/dbraw/zinc/25/96/89/638259689.db2.gz HVIQMFLLWXZGAJ-JTQLQIEISA-N -1 1 285.746 3.257 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1c1ccccc1 ZINC000923960159 638285802 /nfs/dbraw/zinc/28/58/02/638285802.db2.gz QDQXKAYYSLKBFY-MLGOLLRUSA-N -1 1 282.343 3.011 20 0 CGADMM O=C(Cc1cc2cc(Cl)ccc2[nH]1)[N-]OCC1CCC1 ZINC000856343910 638345905 /nfs/dbraw/zinc/34/59/05/638345905.db2.gz DTDDKIAOEUVOJY-UHFFFAOYSA-N -1 1 292.766 3.212 20 0 CGADMM CC1CCC(CNc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858361584 638693509 /nfs/dbraw/zinc/69/35/09/638693509.db2.gz WELXBDXTHSVEGU-UHFFFAOYSA-N -1 1 255.749 3.074 20 0 CGADMM O=c1nc(NC2CC(c3ccccc3)C2)cc(Cl)[n-]1 ZINC000858389165 638701267 /nfs/dbraw/zinc/70/12/67/638701267.db2.gz BAOWVTBUXYXKPD-UHFFFAOYSA-N -1 1 275.739 3.194 20 0 CGADMM CC(C)CC[C@@H]1CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858451391 638722548 /nfs/dbraw/zinc/72/25/48/638722548.db2.gz WXRRAUPCWSXUCQ-JTQLQIEISA-N -1 1 269.776 3.241 20 0 CGADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858489249 638739676 /nfs/dbraw/zinc/73/96/76/638739676.db2.gz WZJIGFAHQPOWPR-RQJHMYQMSA-N -1 1 295.692 3.003 20 0 CGADMM C[C@H]1CCC[C@H](Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858507313 638748845 /nfs/dbraw/zinc/74/88/45/638748845.db2.gz HIFXSVHLPVVFJC-IUCAKERBSA-N -1 1 255.749 3.216 20 0 CGADMM CC1=C(C)C[C@](C)(C(=O)[N-]O[C@@H]2CCCCO2)CC1 ZINC000931318438 639134758 /nfs/dbraw/zinc/13/47/58/639134758.db2.gz SUBXLPVPQIMTJW-UKRRQHHQSA-N -1 1 267.369 3.087 20 0 CGADMM COc1ccccc1CO[N-]C(=O)[C@@H](C)c1ccccc1C ZINC000935812099 639863006 /nfs/dbraw/zinc/86/30/06/639863006.db2.gz LFXHXBDJRREXEC-AWEZNQCLSA-N -1 1 299.370 3.355 20 0 CGADMM O=C1[N-]C(=S)SC1=Cc1ccc(F)cc1F ZINC000043078777 639923151 /nfs/dbraw/zinc/92/31/51/639923151.db2.gz GRWYYVMOJNBRQW-BAQGIRSFSA-N -1 1 257.286 3.294 20 0 CGADMM O=C1[N-]C(=S)SC1=Cc1cn2cc(Cl)ccc2n1 ZINC000049124353 640083698 /nfs/dbraw/zinc/08/36/98/640083698.db2.gz BPUONJKXQCASMX-BAQGIRSFSA-N -1 1 295.776 3.317 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(Cl)s1 ZINC000188357011 640130968 /nfs/dbraw/zinc/13/09/68/640130968.db2.gz GLTOMZMBRGZMSH-UHFFFAOYSA-N -1 1 289.143 3.408 20 0 CGADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](C(F)(F)F)C1 ZINC000091782801 640721961 /nfs/dbraw/zinc/72/19/61/640721961.db2.gz WRVCUSKBSRGSMP-BDAKNGLRSA-N -1 1 291.269 3.313 20 0 CGADMM Cc1ccc2ccc(C(=O)N3C4CCC3CC4)c([O-])c2n1 ZINC001155658492 805601021 /nfs/dbraw/zinc/60/10/21/805601021.db2.gz IPERTVGDZPVLKU-UHFFFAOYSA-N -1 1 282.343 3.016 20 0 CGADMM COc1ccc(OC)c(-c2ccc([O-])c(F)c2F)c1 ZINC001250613601 805724657 /nfs/dbraw/zinc/72/46/57/805724657.db2.gz DKDRUXZKVKSOEU-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM CCOc1ccc2nc(-c3cccc(F)c3[O-])n(C)c2c1 ZINC001250683753 805755113 /nfs/dbraw/zinc/75/51/13/805755113.db2.gz PMFWRCOYMXGJCK-UHFFFAOYSA-N -1 1 286.306 3.484 20 0 CGADMM COc1cccc2c1nc(-c1c(F)cc([O-])cc1F)n2C ZINC001251007375 805825235 /nfs/dbraw/zinc/82/52/35/805825235.db2.gz JWTGIVVHPGFHFU-UHFFFAOYSA-N -1 1 290.269 3.233 20 0 CGADMM COc1cc2[nH]c(-c3c(F)cc([O-])cc3F)nc2cc1F ZINC001251007918 805825963 /nfs/dbraw/zinc/82/59/63/805825963.db2.gz SDRASAFOJIWUEB-UHFFFAOYSA-N -1 1 294.232 3.361 20 0 CGADMM CN(C)c1ccc2nc(-c3ccc(C(=O)[O-])s3)[nH]c2c1 ZINC001251014324 805829753 /nfs/dbraw/zinc/82/97/53/805829753.db2.gz FFWGKJFJGCJNLC-UHFFFAOYSA-N -1 1 287.344 3.056 20 0 CGADMM O=S(=O)([N-]c1cccc2cc(O)ccc21)c1ccccc1 ZINC001251149024 805854720 /nfs/dbraw/zinc/85/47/20/805854720.db2.gz KJKSFIOPWVTKND-UHFFFAOYSA-N -1 1 299.351 3.346 20 0 CGADMM CCOc1ccc2[nH]c(-c3cc(Cl)ncc3[O-])nc2c1 ZINC001251252403 805872281 /nfs/dbraw/zinc/87/22/81/805872281.db2.gz VPMOIHCZXPIUEJ-UHFFFAOYSA-N -1 1 289.722 3.383 20 0 CGADMM CCOc1ccc2nc(-c3cc(Cl)ncc3[O-])[nH]c2c1 ZINC001251252403 805872300 /nfs/dbraw/zinc/87/23/00/805872300.db2.gz VPMOIHCZXPIUEJ-UHFFFAOYSA-N -1 1 289.722 3.383 20 0 CGADMM CN(C)c1ccc2[nH]c(-c3c([O-])ccc(F)c3F)nc2c1 ZINC001251322176 805882010 /nfs/dbraw/zinc/88/20/10/805882010.db2.gz PCIMFAZZQKBHAV-UHFFFAOYSA-N -1 1 289.285 3.280 20 0 CGADMM COc1ccc2[nH]c(-c3c([O-])ccc(F)c3F)nc2c1 ZINC001251318929 805882370 /nfs/dbraw/zinc/88/23/70/805882370.db2.gz DBFWRJYATIPDQJ-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM Fc1cc2[n-]c(C3OC=CC3=S)nc2c(F)c1 ZINC001251546693 805906978 /nfs/dbraw/zinc/90/69/78/805906978.db2.gz IDBYVESSLCCUTM-UHFFFAOYSA-N -1 1 252.245 3.390 20 0 CGADMM Cc1c(F)cc(C(=O)[O-])cc1Nc1cccc2[nH]ncc21 ZINC001159574919 806123935 /nfs/dbraw/zinc/12/39/35/806123935.db2.gz QLCKFUCENDLGDD-UHFFFAOYSA-N -1 1 285.278 3.452 20 0 CGADMM O=C([O-])c1cc(F)c(Nc2ccc3nc[nH]c3c2)c(F)c1 ZINC001160224156 806238328 /nfs/dbraw/zinc/23/83/28/806238328.db2.gz PFIOZSKQDOCBMM-UHFFFAOYSA-N -1 1 289.241 3.283 20 0 CGADMM CCCCS(=O)(=O)[N-]c1cc(C)c2ccccc2n1 ZINC001253775908 806308237 /nfs/dbraw/zinc/30/82/37/806308237.db2.gz BNOQGBHUYVKGOF-UHFFFAOYSA-N -1 1 278.377 3.085 20 0 CGADMM CCCc1nnc(-c2nc3ccc(Cl)cc3[nH]2)o1 ZINC001253944516 806321616 /nfs/dbraw/zinc/32/16/16/806321616.db2.gz KOOPYXQXFBKMKO-UHFFFAOYSA-N -1 1 262.700 3.219 20 0 CGADMM CCCc1nnc(Cc2ccc([O-])c(Br)c2)o1 ZINC001253969088 806325326 /nfs/dbraw/zinc/32/53/26/806325326.db2.gz YPAWLJUDKOJIRX-UHFFFAOYSA-N -1 1 297.152 3.081 20 0 CGADMM CCCc1nnc(-c2ccc([O-])cc2Br)o1 ZINC001254026237 806332806 /nfs/dbraw/zinc/33/28/06/806332806.db2.gz KGFJWLHDHGKPDQ-UHFFFAOYSA-N -1 1 283.125 3.157 20 0 CGADMM Cc1ccc2ccc(-c3nnc(C4CC4)o3)c([O-])c2n1 ZINC001254060246 806336803 /nfs/dbraw/zinc/33/68/03/806336803.db2.gz UOHSMYBHNTZUBB-UHFFFAOYSA-N -1 1 267.288 3.176 20 0 CGADMM CCc1cccc(N(C)C(=O)c2cc(F)ccc2[O-])c1 ZINC001161099962 806348960 /nfs/dbraw/zinc/34/89/60/806348960.db2.gz NOHOGJIXSDSZHV-UHFFFAOYSA-N -1 1 273.307 3.370 20 0 CGADMM [O-]c1ccc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)nn1 ZINC001254617725 806461613 /nfs/dbraw/zinc/46/16/13/806461613.db2.gz KQABXACDIJCHIL-QWRGUYRKSA-N -1 1 280.287 3.064 20 0 CGADMM C[C@H](NC(=O)c1cccc([O-])c1F)[C@H]1CCC[C@@H](C)C1 ZINC001161937419 806485758 /nfs/dbraw/zinc/48/57/58/806485758.db2.gz AHFATOPUQGWAIG-WOPDTQHZSA-N -1 1 279.355 3.476 20 0 CGADMM [O-]c1ccc(Cc2nnc(C3CCC3)o2)cc1Cl ZINC001255155134 806557070 /nfs/dbraw/zinc/55/70/70/806557070.db2.gz PGOTWQBYQYQLRC-UHFFFAOYSA-N -1 1 264.712 3.287 20 0 CGADMM CC[C@@H]1CCC[N@H+](Cc2cc(F)c(O)c(F)c2)C1 ZINC000132245584 799031087 /nfs/dbraw/zinc/03/10/87/799031087.db2.gz MFVVWDUZXDWKPA-SNVBAGLBSA-N -1 1 255.308 3.292 20 0 CGADMM C[C@H]1SCCN(C(=O)c2cc(Cl)ccc2[O-])[C@H]1C ZINC000134767410 799036457 /nfs/dbraw/zinc/03/64/57/799036457.db2.gz OIZOTKORKGUXII-DTWKUNHWSA-N -1 1 285.796 3.012 20 0 CGADMM CSCC[C@@H](C)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000134802120 799036534 /nfs/dbraw/zinc/03/65/34/799036534.db2.gz GSONUKRCVTYIBY-SECBINFHSA-N -1 1 287.812 3.259 20 0 CGADMM O=C(NCC1CCCCC1)Nc1cc(F)cc(F)c1[O-] ZINC000169085570 799086957 /nfs/dbraw/zinc/08/69/57/799086957.db2.gz KSFQFDMERAHGEI-UHFFFAOYSA-N -1 1 284.306 3.372 20 0 CGADMM Cc1n[n-]c(=NCc2ccc(C(C)(C)C)cc2)n1C1CC1 ZINC000340706102 799286587 /nfs/dbraw/zinc/28/65/87/799286587.db2.gz FVBYAMHLPQOZJP-UHFFFAOYSA-N -1 1 284.407 3.253 20 0 CGADMM Nc1cccc(S(=O)(=O)[N-]c2ccc(C(F)F)cc2)c1 ZINC000386264798 799434216 /nfs/dbraw/zinc/43/42/16/799434216.db2.gz WVXNDOFYQVTPME-UHFFFAOYSA-N -1 1 298.314 3.007 20 0 CGADMM Cc1ncc(CN(C)Cc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000701833692 799897125 /nfs/dbraw/zinc/89/71/25/799897125.db2.gz MCILDWCYJCRJPU-UHFFFAOYSA-N -1 1 290.388 3.090 20 0 CGADMM C[C@@H]1c2sccc2CCN1Cc1ccc(C(=O)[O-])o1 ZINC000712323678 800084188 /nfs/dbraw/zinc/08/41/88/800084188.db2.gz ANWBSWLOLTWGOB-SECBINFHSA-N -1 1 277.345 3.159 20 0 CGADMM O=C([O-])c1cccc(CN(Cc2ccoc2)C2CC2)c1 ZINC000723740792 800338981 /nfs/dbraw/zinc/33/89/81/800338981.db2.gz SHPSYQNGXGAHCB-UHFFFAOYSA-N -1 1 271.316 3.142 20 0 CGADMM [O-]c1ccc(-c2noc(-c3nc(Cl)cs3)n2)c(F)c1 ZINC000809470054 800439410 /nfs/dbraw/zinc/43/94/10/800439410.db2.gz UBLLKERARWCYFV-UHFFFAOYSA-N -1 1 297.698 3.358 20 0 CGADMM O=c1nc(NC[C@H]2C[C@@H]2C2CCCC2)cc(Cl)[n-]1 ZINC001120916358 802793858 /nfs/dbraw/zinc/79/38/58/802793858.db2.gz VGGNJPXFKFGNRA-NXEZZACHSA-N -1 1 267.760 3.074 20 0 CGADMM Cc1nc(-c2ccc(N[C@@H](C)C3(C)CC3)nc2)[n-]c(=O)c1C ZINC001120971897 802798036 /nfs/dbraw/zinc/79/80/36/802798036.db2.gz ZZCHKXINPFXFPA-LBPRGKRZSA-N -1 1 298.390 3.462 20 0 CGADMM O=C1Nc2c(cccc2-c2cc(F)c([O-])c(F)c2)C12CC2 ZINC001244098223 803186113 /nfs/dbraw/zinc/18/61/13/803186113.db2.gz ZWHNNYMYVROORY-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3[nH]nnc3c2)cc1Cl ZINC001244499937 803404856 /nfs/dbraw/zinc/40/48/56/803404856.db2.gz ABWLQCVFBNLLKZ-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM Cc1cc(-c2ncnc3cc[nH]c32)cc(Cl)c1[O-] ZINC001244529591 803421754 /nfs/dbraw/zinc/42/17/54/803421754.db2.gz CZAGAVGPDGAHGE-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM Cc1cc(-c2cc(C(=O)N(C)C)ccn2)cc(Cl)c1[O-] ZINC001244536242 803423796 /nfs/dbraw/zinc/42/37/96/803423796.db2.gz GQFSLIQXBQXCIE-UHFFFAOYSA-N -1 1 290.750 3.118 20 0 CGADMM O=C1NCCc2ccc(-c3c(Cl)ccc([O-])c3F)cc21 ZINC001244539641 803428700 /nfs/dbraw/zinc/42/87/00/803428700.db2.gz APGTUGCWOKZLDD-UHFFFAOYSA-N -1 1 291.709 3.138 20 0 CGADMM COc1ccc(F)nc1-c1c(Cl)ccc([O-])c1F ZINC001244541508 803429410 /nfs/dbraw/zinc/42/94/10/803429410.db2.gz DKFVSEHAJOXLAV-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC001135487004 803599170 /nfs/dbraw/zinc/59/91/70/803599170.db2.gz NMZDYKAGMIRMOE-LALPHHSUSA-N -1 1 289.375 3.068 20 0 CGADMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001135495768 803599835 /nfs/dbraw/zinc/59/98/35/803599835.db2.gz SZIKOOFXHOLXDU-UHFFFAOYSA-N -1 1 275.735 3.251 20 0 CGADMM Cc1nc2ccc(-c3cc(Cl)ccc3[O-])nc2n1C ZINC001245048503 803621488 /nfs/dbraw/zinc/62/14/88/803621488.db2.gz CNBVRDFCEBVETG-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM CC(=O)Nc1ccc(-c2cc(Cl)ccc2[O-])nc1 ZINC001245049461 803622003 /nfs/dbraw/zinc/62/20/03/803622003.db2.gz VIEMTZOSNZSASW-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM O=C(NC[C@H]1CCCc2ccccc21)c1cccc([O-])c1F ZINC001136167192 803634337 /nfs/dbraw/zinc/63/43/37/803634337.db2.gz KOXGIJRCXZGBLI-CYBMUJFWSA-N -1 1 299.345 3.381 20 0 CGADMM Cc1cnc(C(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c([O-])c1 ZINC001137191680 803695877 /nfs/dbraw/zinc/69/58/77/803695877.db2.gz MYHKJQWVPDKZJM-NEPJUHHUSA-N -1 1 276.380 3.040 20 0 CGADMM Cc1cc(-c2cc(CC(=O)[O-])ccc2F)cc2nc[nH]c21 ZINC001245316422 803698198 /nfs/dbraw/zinc/69/81/98/803698198.db2.gz KXKJFLIHSSHZHH-UHFFFAOYSA-N -1 1 284.290 3.305 20 0 CGADMM O=C([O-])c1ccc(-c2ccc3cncn3c2)c(Cl)c1 ZINC001245371257 803717231 /nfs/dbraw/zinc/71/72/31/803717231.db2.gz DYVBWOOEEYXOQL-UHFFFAOYSA-N -1 1 272.691 3.353 20 0 CGADMM CCC(CC)(CC)CNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001137487325 803736499 /nfs/dbraw/zinc/73/64/99/803736499.db2.gz JZUUWHVULVQFCY-UHFFFAOYSA-N -1 1 291.391 3.459 20 0 CGADMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc([O-])cn2)c1 ZINC001137480716 803736569 /nfs/dbraw/zinc/73/65/69/803736569.db2.gz SLZOPBZDRXLXGA-KRWDZBQOSA-N -1 1 296.370 3.381 20 0 CGADMM COc1cncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC001137674445 803756197 /nfs/dbraw/zinc/75/61/97/803756197.db2.gz UMGWKKARQAYQCV-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1cc2ncccc2o1 ZINC001138015069 803826599 /nfs/dbraw/zinc/82/65/99/803826599.db2.gz PCEFMGZFHOIUAQ-UHFFFAOYSA-N -1 1 288.690 3.439 20 0 CGADMM [O-]c1cccc(F)c1-c1cc(C(F)(F)F)[nH]c(=S)n1 ZINC001245652417 803883021 /nfs/dbraw/zinc/88/30/21/803883021.db2.gz DFBZOZQNJQJXHN-UHFFFAOYSA-N -1 1 290.241 3.296 20 0 CGADMM COc1cc(F)c(-c2c([O-])cccc2F)c(F)c1 ZINC001245656165 803889861 /nfs/dbraw/zinc/88/98/61/803889861.db2.gz MQEBPUGZBLPUBC-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CC[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])[C@H]1C ZINC001138447305 803940574 /nfs/dbraw/zinc/94/05/74/803940574.db2.gz PXQUNKSCQGKUKB-UWVGGRQHSA-N -1 1 267.756 3.306 20 0 CGADMM Cc1cc2c(ncnc2-c2c(F)ccc([O-])c2Cl)[nH]1 ZINC001245828559 803983449 /nfs/dbraw/zinc/98/34/49/803983449.db2.gz VFJKGBPHOYHKSJ-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM CCCOc1nccnc1-c1c(F)ccc([O-])c1Cl ZINC001245830692 803985244 /nfs/dbraw/zinc/98/52/44/803985244.db2.gz UABGUBQTOSVAHT-UHFFFAOYSA-N -1 1 282.702 3.431 20 0 CGADMM CCN(C)c1cc(-c2c(F)ccc([O-])c2Cl)ncn1 ZINC001245830725 803985374 /nfs/dbraw/zinc/98/53/74/803985374.db2.gz VCYUTCSYNGZPMH-UHFFFAOYSA-N -1 1 281.718 3.098 20 0 CGADMM Cc1nc2[nH]ccc2nc1-c1c(F)ccc([O-])c1Cl ZINC001245831238 803986354 /nfs/dbraw/zinc/98/63/54/803986354.db2.gz BBPDEGBPXOPERG-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM CN1Cc2c(cccc2-c2c(F)ccc([O-])c2Cl)C1=O ZINC001245832856 803988752 /nfs/dbraw/zinc/98/87/52/803988752.db2.gz OJYTZONUHYUKLA-UHFFFAOYSA-N -1 1 291.709 3.437 20 0 CGADMM CNC(=O)Cc1ccc(-c2c(F)ccc([O-])c2Cl)cc1 ZINC001245832975 803988859 /nfs/dbraw/zinc/98/88/59/803988859.db2.gz WEWMBXSGYHZIGT-UHFFFAOYSA-N -1 1 293.725 3.140 20 0 CGADMM CN(C)c1cccc(-n2[n-]c(CC3CCCC3)cc2=O)c1 ZINC001245933183 804062828 /nfs/dbraw/zinc/06/28/28/804062828.db2.gz XXRBFBATYFRJJW-UHFFFAOYSA-N -1 1 285.391 3.377 20 0 CGADMM CN(C)c1ccc(-c2cc(=O)n(C(C)(C)C)[n-]2)cc1 ZINC001245945426 804079252 /nfs/dbraw/zinc/07/92/52/804079252.db2.gz XZTZTFBWXRPTRF-UHFFFAOYSA-N -1 1 259.353 3.077 20 0 CGADMM CCc1cccc(C)c1-n1[n-]c(CC2CC2)cc1=O ZINC001245953187 804088562 /nfs/dbraw/zinc/08/85/62/804088562.db2.gz LSQMIKHUOIEUQG-UHFFFAOYSA-N -1 1 256.349 3.401 20 0 CGADMM CC1=CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001139180041 804152182 /nfs/dbraw/zinc/15/21/82/804152182.db2.gz KQXODLQWBVXYQO-UHFFFAOYSA-N -1 1 283.327 3.043 20 0 CGADMM Nc1nonc1[N-]c1ccc(CNc2ccccc2)cc1 ZINC001212297672 815003351 /nfs/dbraw/zinc/00/33/51/815003351.db2.gz DHXBUYBLGRNQAM-UHFFFAOYSA-N -1 1 281.319 3.008 20 0 CGADMM [O-]c1cnccc1CN1CCc2c3ccccc3oc2C1 ZINC001140280579 804407170 /nfs/dbraw/zinc/40/71/70/804407170.db2.gz KWCFENZRLAYJIP-UHFFFAOYSA-N -1 1 280.327 3.092 20 0 CGADMM Cc1[nH]c(CN2CCc3ccc(C)cc3C2)c(C)c1C(=O)[O-] ZINC001140494051 804447156 /nfs/dbraw/zinc/44/71/56/804447156.db2.gz URTQUZUWBVXRDS-UHFFFAOYSA-N -1 1 298.386 3.196 20 0 CGADMM O=C([O-])c1ccccc1CN1CCc2c(F)cccc2C1 ZINC001140502692 804449306 /nfs/dbraw/zinc/44/93/06/804449306.db2.gz AELUYKMSGCEDJE-UHFFFAOYSA-N -1 1 285.318 3.082 20 0 CGADMM C[C@@H](CC(=O)Nc1ccc([O-])c(F)c1F)c1ccco1 ZINC001140657042 804486005 /nfs/dbraw/zinc/48/60/05/804486005.db2.gz HKQJWZGVUVRBGG-QMMMGPOBSA-N -1 1 281.258 3.396 20 0 CGADMM [O-]c1ccc(CN2CCC[C@H]2c2ccccn2)c(F)c1F ZINC001140893736 804545513 /nfs/dbraw/zinc/54/55/13/804545513.db2.gz GPHMZLKRSHTMST-ZDUSSCGKSA-N -1 1 290.313 3.403 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCCCCCCC1 ZINC001140915748 804547960 /nfs/dbraw/zinc/54/79/60/804547960.db2.gz MPFZRYSEOIRFLJ-UHFFFAOYSA-N -1 1 265.328 3.328 20 0 CGADMM Cc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])o2)cn1 ZINC001140947378 804555466 /nfs/dbraw/zinc/55/54/66/804555466.db2.gz JYUQIYNHNCYOTE-CQSZACIVSA-N -1 1 286.331 3.018 20 0 CGADMM CC[C@H]1CCC[C@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001140982316 804561614 /nfs/dbraw/zinc/56/16/14/804561614.db2.gz UYANOSYBVNTESU-JQWIXIFHSA-N -1 1 265.328 3.087 20 0 CGADMM CC(=O)c1cc(-c2nc(-c3cccc4ccoc43)no2)n[n-]1 ZINC001212430003 815027204 /nfs/dbraw/zinc/02/72/04/815027204.db2.gz USFIYGXBRBQGTO-UHFFFAOYSA-N -1 1 294.270 3.076 20 0 CGADMM CC(=O)c1cc(-c2nc(-c3cccc4ccoc43)no2)[n-]n1 ZINC001212430003 815027210 /nfs/dbraw/zinc/02/72/10/815027210.db2.gz USFIYGXBRBQGTO-UHFFFAOYSA-N -1 1 294.270 3.076 20 0 CGADMM O=C(NCCC1CCCCC1)c1cccc([O-])c1F ZINC001141574603 804653562 /nfs/dbraw/zinc/65/35/62/804653562.db2.gz VCLPDIXGXOLYIK-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM O=C(/C=C\c1cccc(F)c1)Nc1cc([O-])c(F)cc1F ZINC001141833341 804671374 /nfs/dbraw/zinc/67/13/74/804671374.db2.gz AOWFZNQUACYKCC-PLNGDYQASA-N -1 1 293.244 3.461 20 0 CGADMM COC[C@@H]1CCC[N@@H+]1Cc1c(Cl)cc(O)cc1Cl ZINC001142105798 804695242 /nfs/dbraw/zinc/69/52/42/804695242.db2.gz NULYQHVRIXZKIU-VIFPVBQESA-N -1 1 290.190 3.310 20 0 CGADMM O=C1CCCc2nc(Nc3cc(F)cc(F)c3[O-])sc21 ZINC001212477868 815033672 /nfs/dbraw/zinc/03/36/72/815033672.db2.gz OKOWTCUXZQHTBN-UHFFFAOYSA-N -1 1 296.298 3.390 20 0 CGADMM Cc1cc(F)c(-c2noc(-c3ncccc3[O-])n2)cc1F ZINC001212480639 815034578 /nfs/dbraw/zinc/03/45/78/815034578.db2.gz AWPVKWLHOZNUTI-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM O=C(CCc1ccsc1)Nc1cc(F)cc(F)c1[O-] ZINC001142537675 804732955 /nfs/dbraw/zinc/73/29/55/804732955.db2.gz QEJAPSCWDRSUEO-UHFFFAOYSA-N -1 1 283.299 3.303 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001142545391 804736272 /nfs/dbraw/zinc/73/62/72/804736272.db2.gz AUDAHIPYMJXSEE-ILWJIGKKSA-N -1 1 281.302 3.435 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccc2cc[nH]c2c1 ZINC001142542412 804736428 /nfs/dbraw/zinc/73/64/28/804736428.db2.gz QKRXWUQDCKJLAK-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM CCN(Cc1ccncc1)Cc1c(F)cc([O-])cc1F ZINC001144542018 805001513 /nfs/dbraw/zinc/00/15/13/805001513.db2.gz PHXIWKMCQMCCLU-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM COc1ccc(CN(C)Cc2cc(F)c([O-])cc2F)cc1 ZINC001144648826 805022839 /nfs/dbraw/zinc/02/28/39/805022839.db2.gz YLCGNVSEHQTULX-UHFFFAOYSA-N -1 1 293.313 3.311 20 0 CGADMM [O-]c1cc(F)c(CN2CCCC(F)(F)CC2)cc1F ZINC001144646790 805023536 /nfs/dbraw/zinc/02/35/36/805023536.db2.gz KQNWXEFWCPVTOG-UHFFFAOYSA-N -1 1 277.261 3.292 20 0 CGADMM [O-]c1cc(F)c(CN2CCc3cc(F)ccc3C2)cc1F ZINC001144659512 805026960 /nfs/dbraw/zinc/02/69/60/805026960.db2.gz LJLJVAHREFFGPV-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@H]2c2ccccn2)cc1F ZINC001144659522 805027131 /nfs/dbraw/zinc/02/71/31/805027131.db2.gz LSKXAFFOIPUNCE-OAHLLOKOSA-N -1 1 290.313 3.403 20 0 CGADMM CCc1ccncc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001144918063 805058981 /nfs/dbraw/zinc/05/89/81/805058981.db2.gz CDTWWHXPCFWHDO-UHFFFAOYSA-N -1 1 290.750 3.184 20 0 CGADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1cccc([O-])c1F ZINC001144927695 805060237 /nfs/dbraw/zinc/06/02/37/805060237.db2.gz MLJFSQRZUMPZQH-CYBMUJFWSA-N -1 1 289.281 3.088 20 0 CGADMM Cc1ccccc1CC1CN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001148457142 805183153 /nfs/dbraw/zinc/18/31/53/805183153.db2.gz YJDNAAFBDULTRX-UHFFFAOYSA-N -1 1 299.345 3.154 20 0 CGADMM C[C@@H]1C[C@@H](C)CN(Cc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001249775661 805241883 /nfs/dbraw/zinc/24/18/83/805241883.db2.gz DLIGTPJHYNTRHM-NXEZZACHSA-N -1 1 283.318 3.141 20 0 CGADMM Cc1ccc(C(=O)Cc2ccc([O-])c(F)c2F)cc1 ZINC001249910162 805300105 /nfs/dbraw/zinc/30/01/05/805300105.db2.gz OTSJGHBADNAADQ-UHFFFAOYSA-N -1 1 262.255 3.404 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1c[nH]c(-c2ccccc2)n1 ZINC001151780196 805311707 /nfs/dbraw/zinc/31/17/07/805311707.db2.gz UTVBKPQFYXZJCK-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1nccc2ccccc21 ZINC001151771764 805312398 /nfs/dbraw/zinc/31/23/98/805312398.db2.gz KHYSWKZMKKCFKY-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(/C=C\COc1ccccc1)Nc1cccc(F)c1[O-] ZINC001151779391 805312887 /nfs/dbraw/zinc/31/28/87/805312887.db2.gz AOCRNTFKTURHLV-YHYXMXQVSA-N -1 1 287.290 3.105 20 0 CGADMM Cn1nc2c(c1Nc1cc([O-])c(F)c(F)c1F)CCCC2 ZINC001249960462 805327294 /nfs/dbraw/zinc/32/72/94/805327294.db2.gz IUGSCPOMEZMJOT-UHFFFAOYSA-N -1 1 297.280 3.165 20 0 CGADMM Nc1ccc(N(c2cc([O-])c(F)c(F)c2F)C2CC2)nc1 ZINC001249961073 805328163 /nfs/dbraw/zinc/32/81/63/805328163.db2.gz DUNRFRDLRWILBY-UHFFFAOYSA-N -1 1 295.264 3.087 20 0 CGADMM Cc1nc(Nc2cc([O-])c(F)c(F)c2F)cs1 ZINC001249961029 805329274 /nfs/dbraw/zinc/32/92/74/805329274.db2.gz BMWDHUDNGQRTMQ-UHFFFAOYSA-N -1 1 260.240 3.318 20 0 CGADMM [O-]c1cc(Nc2cc(CO)ccc2F)c(F)c(F)c1F ZINC001249963355 805330632 /nfs/dbraw/zinc/33/06/32/805330632.db2.gz ODJNAGNIUPUZAM-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM [O-]c1cc(Nc2ccc(F)c(O)c2)c(F)c(F)c1F ZINC001249963667 805330705 /nfs/dbraw/zinc/33/07/05/805330705.db2.gz RPURLPHEXZTBCT-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM Cc1ccc(N)c(N(C)c2cc([O-])c(F)c(F)c2F)c1 ZINC001249964370 805332546 /nfs/dbraw/zinc/33/25/46/805332546.db2.gz BOAJDUKYZUETGG-UHFFFAOYSA-N -1 1 282.265 3.468 20 0 CGADMM [O-]c1cc(Nc2ccc(CO)c(F)c2)c(F)c(F)c1F ZINC001249967651 805334229 /nfs/dbraw/zinc/33/42/29/805334229.db2.gz WNKVQDXTGBRREC-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM COc1ccnc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250020274 805371775 /nfs/dbraw/zinc/37/17/75/805371775.db2.gz IJDYNKYIACBAPZ-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM COc1nc(C)ncc1Nc1cc(Cl)c([O-])cc1F ZINC001250020483 805372162 /nfs/dbraw/zinc/37/21/62/805372162.db2.gz WCCFALOQSYWHDL-UHFFFAOYSA-N -1 1 283.690 3.035 20 0 CGADMM Nc1cccc(Nc2cc(Cl)c([O-])cc2F)c1O ZINC001250027166 805377508 /nfs/dbraw/zinc/37/75/08/805377508.db2.gz YQVXAHZEHUHVHQ-UHFFFAOYSA-N -1 1 268.675 3.216 20 0 CGADMM O=C(c1c([O-])ccc2ccccc21)N1CC(F)(C2CC2)C1 ZINC001153498822 805400118 /nfs/dbraw/zinc/40/01/18/805400118.db2.gz UYRPHZLPAUZFPB-UHFFFAOYSA-N -1 1 285.318 3.120 20 0 CGADMM Cc1cccnc1CNC(=O)c1c([O-])ccc2ccccc21 ZINC001153497902 805400351 /nfs/dbraw/zinc/40/03/51/805400351.db2.gz IWGPGYALDKCLOG-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM O=C([N-]c1cc(C(F)(F)F)no1)c1nc2ccccc2o1 ZINC001153570448 805403260 /nfs/dbraw/zinc/40/32/60/805403260.db2.gz CMKHSUYIRUXYNX-UHFFFAOYSA-N -1 1 297.192 3.087 20 0 CGADMM O=C(Nc1cccnc1F)c1c(O)cc2ccccc2c1[O-] ZINC001154023304 805426873 /nfs/dbraw/zinc/42/68/73/805426873.db2.gz SDXTXJNZDPYZAI-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC001154311035 805447977 /nfs/dbraw/zinc/44/79/77/805447977.db2.gz KHCRMBLREMFFEY-LLVKDONJSA-N -1 1 296.326 3.333 20 0 CGADMM Cc1cc2cc(N)cnc2n1-c1ccc(Cl)c([O-])c1 ZINC001212589648 815078999 /nfs/dbraw/zinc/07/89/99/815078999.db2.gz XGAKTLWAPSDEBL-UHFFFAOYSA-N -1 1 273.723 3.275 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)Nc3ccc[nH]3)cc2c1 ZINC001154749179 805483562 /nfs/dbraw/zinc/48/35/62/805483562.db2.gz FLQMZPCSYCOWLH-UHFFFAOYSA-N -1 1 282.299 3.134 20 0 CGADMM CCn1nccc1Nc1c(F)ccc([O-])c1Cl ZINC001250228163 805505457 /nfs/dbraw/zinc/50/54/57/805505457.db2.gz NXOGWFBRXJBRHO-UHFFFAOYSA-N -1 1 255.680 3.145 20 0 CGADMM O=C(NCCc1ccoc1)c1ccc2ccccc2c1[O-] ZINC001166892141 807111051 /nfs/dbraw/zinc/11/10/51/807111051.db2.gz LVPNEQVAVNZSLW-UHFFFAOYSA-N -1 1 281.311 3.111 20 0 CGADMM COc1ccc(-c2nnc(C3CCCC3)o2)c([O-])c1 ZINC001257500272 807182620 /nfs/dbraw/zinc/18/26/20/807182620.db2.gz ZNVSPWXMPMSQLL-UHFFFAOYSA-N -1 1 260.293 3.108 20 0 CGADMM O=C(Nc1ccccc1-c1ncco1)c1ccc(F)c([O-])c1 ZINC001167440508 807194743 /nfs/dbraw/zinc/19/47/43/807194743.db2.gz VXVYLAKPECAJCV-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM CCCNc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC001168140871 807322781 /nfs/dbraw/zinc/32/27/81/807322781.db2.gz NTIDHBZKAMNKGZ-VIFPVBQESA-N -1 1 274.286 3.248 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2cccc3ccoc32)no1 ZINC001212722373 815115055 /nfs/dbraw/zinc/11/50/55/815115055.db2.gz CWLXJLYXQDFSFV-UHFFFAOYSA-N -1 1 279.255 3.250 20 0 CGADMM CC(C)CCc1nnc(-c2cccc([O-])c2F)o1 ZINC001258350403 807423939 /nfs/dbraw/zinc/42/39/39/807423939.db2.gz GVPFHLNQXLJBGT-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM Cc1ccccc1Cc1nnc(-c2ccc([O-])cc2F)o1 ZINC001258454954 807460844 /nfs/dbraw/zinc/46/08/44/807460844.db2.gz CMGWXBYXIJBKNN-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM Cc1ccccc1Cc1nnc(-c2cc([O-])cc(F)c2)o1 ZINC001258456365 807461952 /nfs/dbraw/zinc/46/19/52/807461952.db2.gz ZLYUXADEHUKREC-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM [O-]c1ccc(-c2nnc(Cc3cccc(F)c3)o2)cc1F ZINC001258571342 807493598 /nfs/dbraw/zinc/49/35/98/807493598.db2.gz JAHJIQCTBYSHLN-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM CC(C)C[C@H]([N-]S(=O)(=O)C(F)F)c1cccc(F)c1 ZINC001259961444 807694907 /nfs/dbraw/zinc/69/49/07/807694907.db2.gz IMQLWCVMSOUKMK-NSHDSACASA-N -1 1 295.326 3.055 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1cccc2cc(Cl)cnc21 ZINC001260739556 807701945 /nfs/dbraw/zinc/70/19/45/807701945.db2.gz IZNPBJXHMZXAHE-SECBINFHSA-N -1 1 298.795 3.428 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1cccc2c(C)ccnc12 ZINC001260741937 807704395 /nfs/dbraw/zinc/70/43/95/807704395.db2.gz TYGMIXPQALQYPC-NSHDSACASA-N -1 1 278.377 3.083 20 0 CGADMM CCCc1ncc(C(=O)Nc2cccc(F)c2[O-])s1 ZINC001171632707 808109071 /nfs/dbraw/zinc/10/90/71/808109071.db2.gz LWKHFAXDEZQSDR-UHFFFAOYSA-N -1 1 280.324 3.193 20 0 CGADMM COc1cc(Cl)cc(C(=O)Nc2cccc(F)c2[O-])c1 ZINC001171638056 808109361 /nfs/dbraw/zinc/10/93/61/808109361.db2.gz SBUFKVQNYZITQW-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C(F)(F)c1ccc(F)cc1 ZINC001171632570 808109526 /nfs/dbraw/zinc/10/95/26/808109526.db2.gz GNQUPWFFTABYOY-UHFFFAOYSA-N -1 1 299.223 3.401 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cccc2[nH]cnc21 ZINC001213031936 815205823 /nfs/dbraw/zinc/20/58/23/815205823.db2.gz RIDRIQTVIURKJR-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM C[C@H]1CC[C@@H](NC2=CC=C[CH]2)CN1C(=O)OC(C)(C)C ZINC001173052687 808501183 /nfs/dbraw/zinc/50/11/83/808501183.db2.gz HHUHFVQECVUHOV-GXTWGEPZSA-N -1 1 277.388 3.022 20 0 CGADMM Nc1nonc1[N-]c1ccc(-c2ccccc2)cc1 ZINC001173809532 808683592 /nfs/dbraw/zinc/68/35/92/808683592.db2.gz BAFMNLFEMBXPAQ-UHFFFAOYSA-N -1 1 252.277 3.062 20 0 CGADMM COc1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001173825457 808691371 /nfs/dbraw/zinc/69/13/71/808691371.db2.gz JOSPQFDRPUXGOM-UHFFFAOYSA-N -1 1 251.232 3.423 20 0 CGADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2)c(OC)c1 ZINC001173891228 808744769 /nfs/dbraw/zinc/74/47/69/808744769.db2.gz KVWDVQJBGTVHGD-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM COc1cccc(OC)c1Nc1cc([O-])c(F)c(F)c1 ZINC001173924055 808764337 /nfs/dbraw/zinc/76/43/37/808764337.db2.gz BYDBBHVSBBXPPP-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM Cc1cc(C)c(N=C2CCCC2)c(S(=O)(=O)[O-])c1 ZINC001173998817 808812734 /nfs/dbraw/zinc/81/27/34/808812734.db2.gz DGISZTUQPAWFJV-UHFFFAOYSA-N -1 1 267.350 3.030 20 0 CGADMM CN(C)C(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001174006249 808816743 /nfs/dbraw/zinc/81/67/43/808816743.db2.gz FVYKELHZBZKSEB-UHFFFAOYSA-N -1 1 292.285 3.116 20 0 CGADMM Cc1cc(Nc2cc(S(C)(=O)=O)ccc2[O-])c(C)s1 ZINC001174420524 809011993 /nfs/dbraw/zinc/01/19/93/809011993.db2.gz RUIPXFMVFPJLMS-UHFFFAOYSA-N -1 1 297.401 3.218 20 0 CGADMM [O-]c1c(F)cc(Nc2cc(F)ccc2O)cc1F ZINC001174628633 809109775 /nfs/dbraw/zinc/10/97/75/809109775.db2.gz LFXHMCYNBNLFIK-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc(O)c(F)c1 ZINC001174741071 809149134 /nfs/dbraw/zinc/14/91/34/809149134.db2.gz KADQDQBEZMEXBW-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM COc1ccnc(-c2nc(-c3cc(C)cc(C)c3)no2)c1[O-] ZINC001213324909 815265607 /nfs/dbraw/zinc/26/56/07/815265607.db2.gz YVUDTQSXDPXCOS-UHFFFAOYSA-N -1 1 297.314 3.130 20 0 CGADMM COc1cc(F)c(Nc2ccnc(Cl)c2[O-])cc1F ZINC001174932066 809204956 /nfs/dbraw/zinc/20/49/56/809204956.db2.gz UIQRNLLYBJWLDU-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CCCCOc1ccccc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001175001443 809234056 /nfs/dbraw/zinc/23/40/56/809234056.db2.gz CVMQWHLFLNUJON-UHFFFAOYSA-N -1 1 297.358 3.492 20 0 CGADMM COc1cc(F)cc([N-]c2nnc(C(C)C)o2)c1 ZINC001175005830 809236137 /nfs/dbraw/zinc/23/61/37/809236137.db2.gz QZWPYQZCMYFQBO-UHFFFAOYSA-N -1 1 251.261 3.084 20 0 CGADMM COc1ccc(O)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213381811 815273100 /nfs/dbraw/zinc/27/31/00/815273100.db2.gz IYFVQHDJPARRHP-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM CN(C)c1ccc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001175343495 809368498 /nfs/dbraw/zinc/36/84/98/809368498.db2.gz LHBPOGKFLPYMMU-UHFFFAOYSA-N -1 1 281.718 3.389 20 0 CGADMM COc1ncc([N-]c2cc(C3CCC3)no2)s1 ZINC001175386855 809386911 /nfs/dbraw/zinc/38/69/11/809386911.db2.gz HDHNYAYVWVXQKG-UHFFFAOYSA-N -1 1 251.311 3.151 20 0 CGADMM Cc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1C ZINC001290101664 809402029 /nfs/dbraw/zinc/40/20/29/809402029.db2.gz NTBQRTXRTPVWKI-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1)c1ccc(F)c([O-])c1 ZINC001290400009 809407427 /nfs/dbraw/zinc/40/74/27/809407427.db2.gz HMAKCNOAPLGFIN-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM Cn1cc2cccc(Nc3ccc(F)c(F)c3[O-])c2n1 ZINC001175467106 809417271 /nfs/dbraw/zinc/41/72/71/809417271.db2.gz TWBSHBLQMFLZFR-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc(F)ccc1[O-] ZINC001293449495 809449009 /nfs/dbraw/zinc/44/90/09/809449009.db2.gz QIZQDKLKIJKNPR-NTZNESFSSA-N -1 1 277.339 3.230 20 0 CGADMM CC(C)c1csc(CNC(=O)c2ccc(F)c([O-])c2)n1 ZINC001294554299 809471120 /nfs/dbraw/zinc/47/11/20/809471120.db2.gz QDYBVHQFXKLUSW-UHFFFAOYSA-N -1 1 294.351 3.041 20 0 CGADMM CC[C@H](C)c1ncc(NC(=O)c2cccc([O-])c2F)cn1 ZINC001296964447 809510819 /nfs/dbraw/zinc/51/08/19/809510819.db2.gz YGSJYVFKUJLGMM-VIFPVBQESA-N -1 1 289.310 3.087 20 0 CGADMM CC[C@@H](C)c1ncc(NC(=O)c2cccc([O-])c2F)cn1 ZINC001296964446 809510894 /nfs/dbraw/zinc/51/08/94/809510894.db2.gz YGSJYVFKUJLGMM-SECBINFHSA-N -1 1 289.310 3.087 20 0 CGADMM CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(C)cc(C=O)c2[O-])C1 ZINC001297835882 809523881 /nfs/dbraw/zinc/52/38/81/809523881.db2.gz IXLPZTGTRWMSTH-QWHCGFSZSA-N -1 1 289.375 3.164 20 0 CGADMM CC[C@@H]1CCC[C@@H]1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001298061119 809527191 /nfs/dbraw/zinc/52/71/91/809527191.db2.gz WQYXNYQPEKDMGU-CHWSQXEVSA-N -1 1 298.386 3.497 20 0 CGADMM CC(C)c1nnc([N-]c2ccnc(Br)c2)o1 ZINC001175744030 809528695 /nfs/dbraw/zinc/52/86/95/809528695.db2.gz ZSCFENPPJDJLAQ-UHFFFAOYSA-N -1 1 283.129 3.094 20 0 CGADMM CCC1(NC(=O)c2ccc(F)c([O-])c2)CCCCC1 ZINC001298191478 809529940 /nfs/dbraw/zinc/52/99/40/809529940.db2.gz SHORHPHIWJHGFO-UHFFFAOYSA-N -1 1 265.328 3.374 20 0 CGADMM O=C(/C=C\C=C(Cl)Cl)Nc1cc([O-])c(F)cc1F ZINC001298974536 809542992 /nfs/dbraw/zinc/54/29/92/809542992.db2.gz RGEZCXXIXOGPBK-IWQZZHSRSA-N -1 1 294.084 3.484 20 0 CGADMM CCn1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])c1C ZINC001299586855 809552086 /nfs/dbraw/zinc/55/20/86/809552086.db2.gz PDICDFADBJNQKR-UHFFFAOYSA-N -1 1 280.274 3.053 20 0 CGADMM Cc1ncc(/C=C\C(=O)Nc2cc(F)cc(F)c2[O-])s1 ZINC001299585928 809552281 /nfs/dbraw/zinc/55/22/81/809552281.db2.gz GVMABNCOSICANY-IHWYPQMZSA-N -1 1 296.298 3.087 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1C[C@@H]1C1CCCC1 ZINC001300516786 809569142 /nfs/dbraw/zinc/56/91/42/809569142.db2.gz FERFASSKPRROOT-KGLIPLIRSA-N -1 1 263.312 3.062 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1ccc(C)c(F)c1F ZINC001176091816 809621195 /nfs/dbraw/zinc/62/11/95/809621195.db2.gz YQIOIBSNSBBTME-UHFFFAOYSA-N -1 1 282.246 3.182 20 0 CGADMM CN(C)c1ncc(Nc2ccc(Cl)c(Cl)c2[O-])cn1 ZINC001176334065 809671764 /nfs/dbraw/zinc/67/17/64/809671764.db2.gz SNIJASMNOFXMKH-UHFFFAOYSA-N -1 1 299.161 3.299 20 0 CGADMM COc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ncc1C ZINC001176586708 809724866 /nfs/dbraw/zinc/72/48/66/809724866.db2.gz MIHQJCRVIQYGRK-UHFFFAOYSA-N -1 1 298.342 3.258 20 0 CGADMM Cc1cnc(Nc2c(F)cc(F)c([O-])c2F)c(F)c1 ZINC001176663411 809737544 /nfs/dbraw/zinc/73/75/44/809737544.db2.gz JFOSWCDKTNRLFV-UHFFFAOYSA-N -1 1 272.201 3.396 20 0 CGADMM COC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176669530 809738426 /nfs/dbraw/zinc/73/84/26/809738426.db2.gz IQLDMMXQEHLSKP-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cncc(F)c2)c1F ZINC001176664449 809738678 /nfs/dbraw/zinc/73/86/78/809738678.db2.gz ZSRXADHZTURWQW-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM O=C(Nc1ncsc1C1CC1)c1ccc(F)c([O-])c1 ZINC001176739795 809755612 /nfs/dbraw/zinc/75/56/12/809755612.db2.gz VVVAOWRBLVWRBN-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM O=C(/C=C/c1cccs1)NCc1ccc([O-])c(Cl)c1 ZINC001176994431 809773083 /nfs/dbraw/zinc/77/30/83/809773083.db2.gz RMLAIYNSXABLNZ-GQCTYLIASA-N -1 1 293.775 3.437 20 0 CGADMM Cc1ccoc1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179660436 809935499 /nfs/dbraw/zinc/93/54/99/809935499.db2.gz RMZLZSWVESJTAT-UHFFFAOYSA-N -1 1 283.686 3.267 20 0 CGADMM COc1cc(C)cc(C(=O)Nc2ccc(F)cc2[O-])c1C ZINC001183054285 810135181 /nfs/dbraw/zinc/13/51/81/810135181.db2.gz JVPJRDSSDIOHAM-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM O=S(=O)([N-]c1ccc2c(c1)CCCC2)c1ccsc1 ZINC001185391411 810260555 /nfs/dbraw/zinc/26/05/55/810260555.db2.gz LJZJZKAOQNJKJN-UHFFFAOYSA-N -1 1 293.413 3.428 20 0 CGADMM Cn1c(NC(=O)c2ccc([O-])c(F)c2)cc2ccccc21 ZINC001186209227 810321921 /nfs/dbraw/zinc/32/19/21/810321921.db2.gz SEPFZSVPKSVWDM-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM C[C@H](C[N-]C(=O)C(F)(F)F)c1nc2ccccc2s1 ZINC001188025585 810444820 /nfs/dbraw/zinc/44/48/20/810444820.db2.gz JCUKJEMPRMRCDB-SSDOTTSWSA-N -1 1 288.294 3.078 20 0 CGADMM COC(=O)c1c[n-]c(SC2C[C@@H](C)C[C@H](C)C2)n1 ZINC001189166466 810546293 /nfs/dbraw/zinc/54/62/93/810546293.db2.gz OZRNUUCXHQOAJR-IUCAKERBSA-N -1 1 268.382 3.113 20 0 CGADMM CC(C)(C)c1ccccc1[N-]S(=O)(=O)c1ccncc1 ZINC001190896460 810655789 /nfs/dbraw/zinc/65/57/89/810655789.db2.gz LMWSXHYEKQNJDC-UHFFFAOYSA-N -1 1 290.388 3.180 20 0 CGADMM Cc1cccc(CNC(=O)Nc2cccc(F)c2[O-])c1 ZINC001190998321 810662391 /nfs/dbraw/zinc/66/23/91/810662391.db2.gz IDMMZGIMQMADBV-UHFFFAOYSA-N -1 1 274.295 3.161 20 0 CGADMM CCOc1cc(-n2[n-]c(=O)c3ccc(N)cc32)ccc1C ZINC001214328211 815395833 /nfs/dbraw/zinc/39/58/33/815395833.db2.gz RJRNKPIDBKRXAZ-UHFFFAOYSA-N -1 1 283.331 3.020 20 0 CGADMM CCCCCNC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001193326181 810872024 /nfs/dbraw/zinc/87/20/24/810872024.db2.gz OUVUFABFGHQJNH-UHFFFAOYSA-N -1 1 274.723 3.496 20 0 CGADMM O=C(Nc1c(F)cc([O-])cc1F)Oc1ccccc1 ZINC001194254526 811042925 /nfs/dbraw/zinc/04/29/25/811042925.db2.gz SBTSNFDVRWHBKY-UHFFFAOYSA-N -1 1 265.215 3.281 20 0 CGADMM COc1cc(OC)c(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214486502 815416529 /nfs/dbraw/zinc/41/65/29/815416529.db2.gz KSDVKZOKYHDBMU-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM Nc1ccc2cn(-c3cc(F)c([O-])c(Cl)c3)nc2c1 ZINC001214488987 815417703 /nfs/dbraw/zinc/41/77/03/815417703.db2.gz RPNBRRMSNDEHCU-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM CCC(CC)COC(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC001194707397 811113569 /nfs/dbraw/zinc/11/35/69/811113569.db2.gz UTQGTAXTOXRBGR-UHFFFAOYSA-N -1 1 295.335 3.164 20 0 CGADMM CC(C)c1cccnc1NC(=O)c1c[n-]c(C(F)(F)F)n1 ZINC001194773768 811131713 /nfs/dbraw/zinc/13/17/13/811131713.db2.gz WBNZSFYODNKTAA-UHFFFAOYSA-N -1 1 298.268 3.199 20 0 CGADMM COC(=O)c1cccc(Nc2ccnc(Cl)c2[O-])c1F ZINC001214574385 815425824 /nfs/dbraw/zinc/42/58/24/815425824.db2.gz QVWIMTQOYCGKGQ-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM O=C(Nc1c([O-])cccc1F)Oc1ccc(F)cc1 ZINC001195035981 811188884 /nfs/dbraw/zinc/18/88/84/811188884.db2.gz UBYKOPMXLVMQHI-UHFFFAOYSA-N -1 1 265.215 3.281 20 0 CGADMM COc1ccccc1OC(=O)Nc1cccc(F)c1[O-] ZINC001195264929 811233750 /nfs/dbraw/zinc/23/37/50/811233750.db2.gz LTTAESSAIOVUOS-UHFFFAOYSA-N -1 1 277.251 3.151 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2ccc(-n3cccc3)cc2)n1 ZINC001195315052 811240315 /nfs/dbraw/zinc/24/03/15/811240315.db2.gz MCTDUJPRLHPVMJ-UHFFFAOYSA-N -1 1 293.326 3.139 20 0 CGADMM CCNC(=S)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001195344173 811245157 /nfs/dbraw/zinc/24/51/57/811245157.db2.gz ISTHVKOUCUFABA-UHFFFAOYSA-N -1 1 265.165 3.005 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(F)c(C2CC2)c1 ZINC001195493832 811261260 /nfs/dbraw/zinc/26/12/60/811261260.db2.gz DHDCYWQJEMBUSX-UHFFFAOYSA-N -1 1 282.340 3.146 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(F)c(Cl)cc1F ZINC001195493181 811262345 /nfs/dbraw/zinc/26/23/45/811262345.db2.gz ZJENXZLIQSOKBS-UHFFFAOYSA-N -1 1 294.710 3.061 20 0 CGADMM CC[C@@H](C)CNC(=S)Nc1cc(F)c(F)cc1[O-] ZINC001200253135 811653160 /nfs/dbraw/zinc/65/31/60/811653160.db2.gz AKANJYISLWGUDZ-SSDOTTSWSA-N -1 1 274.336 3.003 20 0 CGADMM CSc1nc(Nc2ccc(NC(C)C)cc2)cc(=O)[n-]1 ZINC001201488239 811861750 /nfs/dbraw/zinc/86/17/50/811861750.db2.gz BMVOYVYKWLFGEC-UHFFFAOYSA-N -1 1 290.392 3.468 20 0 CGADMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1csc2ccccc12 ZINC001202165412 812027130 /nfs/dbraw/zinc/02/71/30/812027130.db2.gz IDIQJVPGYYTQHY-UHFFFAOYSA-N -1 1 290.373 3.011 20 0 CGADMM Cc1ccccc1NC(=O)Nc1ccc(F)cc1[O-] ZINC001202187622 812033961 /nfs/dbraw/zinc/03/39/61/812033961.db2.gz PJAIRODUIFEQTF-UHFFFAOYSA-N -1 1 260.268 3.484 20 0 CGADMM COc1ncc(Nc2cc([O-])c(Cl)cc2F)cc1F ZINC001203407891 812345754 /nfs/dbraw/zinc/34/57/54/812345754.db2.gz BBNIMIFEFCVTIQ-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM Cc1cccc2c1CN(Cc1ccc(C(=O)[O-])cc1)C2 ZINC001204150481 812557841 /nfs/dbraw/zinc/55/78/41/812557841.db2.gz JZPMYPPEDVUQMU-UHFFFAOYSA-N -1 1 267.328 3.209 20 0 CGADMM COC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)c(F)c1 ZINC001215573456 815538820 /nfs/dbraw/zinc/53/88/20/815538820.db2.gz KITWBRIPXDKKRI-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM [O-]c1cc(F)c(Nc2cc(F)cc(F)c2CO)cc1F ZINC001215576599 815539420 /nfs/dbraw/zinc/53/94/20/815539420.db2.gz DVYQBOMZOBCVHF-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM Cc1ccc(-c2cnnc(-c3ccc([O-])cc3F)n2)cc1 ZINC001206030507 813173234 /nfs/dbraw/zinc/17/32/34/813173234.db2.gz YVGSXAHBNSQJID-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM Cn1c(=O)c(-c2ccc([O-])cc2F)cc2ccccc21 ZINC001206064237 813187121 /nfs/dbraw/zinc/18/71/21/813187121.db2.gz BUIMNEAYXRAVAA-UHFFFAOYSA-N -1 1 269.275 3.050 20 0 CGADMM CN(C)Cc1cccc(-c2csc(C(=O)[O-])c2)c1F ZINC001206303907 813280400 /nfs/dbraw/zinc/28/04/00/813280400.db2.gz UOAGFTLPPCVNLP-UHFFFAOYSA-N -1 1 279.336 3.314 20 0 CGADMM COC(=O)c1cccc(-c2cc(F)c([O-])cc2F)c1C ZINC001206775632 813434894 /nfs/dbraw/zinc/43/48/94/813434894.db2.gz DFVHXGGUIXVOMW-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM CSc1nc(Nc2ccc3cccnc3c2)cc(=O)[n-]1 ZINC001210054927 814267731 /nfs/dbraw/zinc/26/77/31/814267731.db2.gz WHSWWWVOYTUBDP-UHFFFAOYSA-N -1 1 284.344 3.196 20 0 CGADMM Cc1cccc([N-]c2nnc(-c3ccco3)o2)c1O ZINC001210187391 814326327 /nfs/dbraw/zinc/32/63/27/814326327.db2.gz KNQSOYGDNGLHJF-UHFFFAOYSA-N -1 1 257.249 3.087 20 0 CGADMM [O-]c1cc(Nc2ccc(OC(F)F)nc2)cc(F)c1F ZINC001210304135 814394678 /nfs/dbraw/zinc/39/46/78/814394678.db2.gz XAIJWMKWSMRIGW-UHFFFAOYSA-N -1 1 288.200 3.410 20 0 CGADMM [O-]c1cc(F)c(Nc2cc(O)ccc2F)cc1F ZINC001210800809 814634143 /nfs/dbraw/zinc/63/41/43/814634143.db2.gz IBLJJFSHLLAKTF-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM CN1Cc2cccc(-c3cccc([O-])c3Cl)c2C1=O ZINC001242799327 823135940 /nfs/dbraw/zinc/13/59/40/823135940.db2.gz FOZFVDKLMRICKU-UHFFFAOYSA-N -1 1 273.719 3.298 20 0 CGADMM O=c1ocnc2ccc(-c3cccc([O-])c3Cl)cc12 ZINC001242799759 823136786 /nfs/dbraw/zinc/13/67/86/823136786.db2.gz BAFFVTAKKTXCQY-UHFFFAOYSA-N -1 1 273.675 3.214 20 0 CGADMM COc1cnc(F)c(-c2cccc([O-])c2Cl)c1 ZINC001242799552 823136511 /nfs/dbraw/zinc/13/65/11/823136511.db2.gz RAHFLXQWLHSNDJ-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM O=C1Cc2c(cccc2-c2cccc([O-])c2Cl)N1 ZINC001242801082 823137233 /nfs/dbraw/zinc/13/72/33/823137233.db2.gz XOJUDKSOMGVNOB-UHFFFAOYSA-N -1 1 259.692 3.207 20 0 CGADMM CCN(CC)c1cncc(-c2cccc([O-])c2Cl)n1 ZINC001242801523 823137497 /nfs/dbraw/zinc/13/74/97/823137497.db2.gz VCBKWKKXEJSAIP-UHFFFAOYSA-N -1 1 277.755 3.349 20 0 CGADMM [O-]c1cc(Nc2ccc(F)c(O)c2)cc(F)c1F ZINC001211218244 814853969 /nfs/dbraw/zinc/85/39/69/814853969.db2.gz OTJSBXQAZFZKNW-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM COC(=O)c1cnc(C)c(-c2cccc([O-])c2Cl)c1 ZINC001242803661 823138259 /nfs/dbraw/zinc/13/82/59/823138259.db2.gz WYXXUKWIHJARDI-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3ncncc3c2)cc1F ZINC001211339054 814882311 /nfs/dbraw/zinc/88/23/11/814882311.db2.gz KPGPLYVJTQYQEU-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOC(=O)c1cnc(C)c(-c2cc(F)c([O-])cc2F)c1 ZINC001211353009 814884303 /nfs/dbraw/zinc/88/43/03/814884303.db2.gz QKCOGPFJQKIEQW-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COCc1ccccc1-c1cc(F)c([O-])cc1F ZINC001211359666 814886526 /nfs/dbraw/zinc/88/65/26/814886526.db2.gz KCDJCLKMEYZUKU-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM COCOc1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001211638183 814923318 /nfs/dbraw/zinc/92/33/18/814923318.db2.gz XPGBNUZHLZKXLD-UHFFFAOYSA-N -1 1 281.258 3.397 20 0 CGADMM Nc1c(F)c(F)c(F)cc1Nc1cc(F)c([O-])cc1F ZINC001216010665 815660863 /nfs/dbraw/zinc/66/08/63/815660863.db2.gz XLLUQSUPEZUFFA-UHFFFAOYSA-N -1 1 290.191 3.414 20 0 CGADMM Cc1cc(Nc2ccnc(Cl)c2[O-])cc(C)c1CO ZINC001216123115 815704997 /nfs/dbraw/zinc/70/49/97/815704997.db2.gz HUDVGUXOAUUFKT-UHFFFAOYSA-N -1 1 278.739 3.293 20 0 CGADMM COc1cc(Nc2ccnc(Cl)c2[O-])c(Cl)cn1 ZINC001216385465 815806630 /nfs/dbraw/zinc/80/66/30/815806630.db2.gz QNUYUBFDEUGVMP-UHFFFAOYSA-N -1 1 286.118 3.241 20 0 CGADMM CC(C)Cn1cc(-c2cc(F)c([O-])cc2F)ccc1=O ZINC001222083073 816343028 /nfs/dbraw/zinc/34/30/28/816343028.db2.gz MCRIKLHGVWNWBC-UHFFFAOYSA-N -1 1 279.286 3.155 20 0 CGADMM Cc1nc2c(ncc(-c3cc(F)c([O-])cc3F)c2C)[nH]1 ZINC001222082157 816343643 /nfs/dbraw/zinc/34/36/43/816343643.db2.gz AIJNXNWUENKHLT-UHFFFAOYSA-N -1 1 275.258 3.226 20 0 CGADMM CC[C@@H](C)CC[C@H](C)OCCCC[P@](=O)([O-])O ZINC001225018682 816932289 /nfs/dbraw/zinc/93/22/89/816932289.db2.gz FJJXWXCTTMXWEM-NEPJUHHUSA-N -1 1 266.318 3.176 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCc2ccccc21 ZINC001225675516 817136903 /nfs/dbraw/zinc/13/69/03/817136903.db2.gz WZYVPVVGMKVLGI-OAHLLOKOSA-N -1 1 284.311 3.367 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C)c1ccc(C)nc1 ZINC001225678266 817138712 /nfs/dbraw/zinc/13/87/12/817138712.db2.gz DNORKDFMAGPEPJ-LLVKDONJSA-N -1 1 287.315 3.144 20 0 CGADMM Cc1cccc2c1CC[C@@H]2Oc1[n-]c(=S)ncc1F ZINC001227384818 817637287 /nfs/dbraw/zinc/63/72/87/817637287.db2.gz GGEQPLKSQREDJX-LBPRGKRZSA-N -1 1 276.336 3.279 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)nc2cnccc21)c1ccco1 ZINC001227885079 817743291 /nfs/dbraw/zinc/74/32/91/817743291.db2.gz KUCBDYPHNVZHAT-MRVPVSSYSA-N -1 1 273.317 3.420 20 0 CGADMM S=c1nncc(OC2CC(c3ccccc3Cl)C2)[n-]1 ZINC001228642506 817961107 /nfs/dbraw/zinc/96/11/07/817961107.db2.gz PWBGCLUKXGTYFM-UHFFFAOYSA-N -1 1 293.779 3.139 20 0 CGADMM O=C([O-])COc1ccccc1CN1CC[C@@H]1c1ccccc1 ZINC001231797442 818178687 /nfs/dbraw/zinc/17/86/87/818178687.db2.gz UKRODPIOFOFOGD-MRXNPFEDSA-N -1 1 297.354 3.097 20 0 CGADMM [O-]c1cccc(CN2CC(F)(F)C[C@H]2CF)c1Cl ZINC001232784165 818439174 /nfs/dbraw/zinc/43/91/74/818439174.db2.gz ICQZIVCBIXMMHR-VIFPVBQESA-N -1 1 279.689 3.225 20 0 CGADMM [O-]c1cccc(CN2CC3(C2)C[C@H](F)CS3)c1Cl ZINC001232788786 818440827 /nfs/dbraw/zinc/44/08/27/818440827.db2.gz NKRLQFUOEYTRAX-JTQLQIEISA-N -1 1 287.787 3.075 20 0 CGADMM [O-]c1c(F)ccc(CN2Cc3ccccc3C2)c1F ZINC001232931951 818476074 /nfs/dbraw/zinc/47/60/74/818476074.db2.gz UOUIEIGJZBWQCY-UHFFFAOYSA-N -1 1 261.271 3.186 20 0 CGADMM CN(Cc1cccc(F)c1)Cc1ccc(F)c([O-])c1F ZINC001232931384 818476077 /nfs/dbraw/zinc/47/60/77/818476077.db2.gz NFZFVKPQNLABNU-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM COCC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c([O-])c1F ZINC001232936554 818477000 /nfs/dbraw/zinc/47/70/00/818477000.db2.gz SZJZXWJEEFDENH-LBPRGKRZSA-N -1 1 285.334 3.061 20 0 CGADMM C[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ncc1[O-] ZINC001233039253 818508860 /nfs/dbraw/zinc/50/88/60/818508860.db2.gz RJGUYGMGEUHEPZ-NSHDSACASA-N -1 1 288.778 3.387 20 0 CGADMM COc1cccc(-c2ccc([O-])c(F)c2F)c1OC ZINC001243339127 823352660 /nfs/dbraw/zinc/35/26/60/823352660.db2.gz KZBQJAGOTAXNHF-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM [O-]c1ccc(-c2cc(OC(F)F)ccn2)c(F)c1F ZINC001243339244 823353384 /nfs/dbraw/zinc/35/33/84/823353384.db2.gz PIRBYSIWTZYUSM-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM C[S@@](=N)(=O)c1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243342586 823356780 /nfs/dbraw/zinc/35/67/80/823356780.db2.gz JKEFBDRWZWHZCZ-LJQANCHMSA-N -1 1 283.299 3.373 20 0 CGADMM [O-]c1ccc(-c2ccc(C3OCCO3)cc2)c(F)c1F ZINC001243342775 823356892 /nfs/dbraw/zinc/35/68/92/823356892.db2.gz UBOFUYPRIMTZTH-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM Cc1ccc(-c2ccc([O-])c(F)c2F)cc1S(C)(=O)=O ZINC001243342207 823357503 /nfs/dbraw/zinc/35/75/03/823357503.db2.gz KXJRHRZZPMRSNV-UHFFFAOYSA-N -1 1 298.310 3.049 20 0 CGADMM COC(=O)c1cc(C)ccc1-c1ccc([O-])c(F)c1F ZINC001243343087 823358931 /nfs/dbraw/zinc/35/89/31/823358931.db2.gz PJUFPKUGPAPJRZ-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM CCCC[C@@H](CCC)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234564755 818882511 /nfs/dbraw/zinc/88/25/11/818882511.db2.gz PGXILVIBCZOMBA-LLVKDONJSA-N -1 1 296.367 3.015 20 0 CGADMM Cc1cnc(-c2ccc(Cl)c(C(=O)[O-])c2F)cc1N ZINC001236149675 819346513 /nfs/dbraw/zinc/34/65/13/819346513.db2.gz ZTLAEFCUVMWFEQ-UHFFFAOYSA-N -1 1 280.686 3.130 20 0 CGADMM FC(F)(F)[C@H]1CC=C(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001236253862 819406059 /nfs/dbraw/zinc/40/60/59/819406059.db2.gz LJWNQSPATWBWPO-JTQLQIEISA-N -1 1 295.268 3.008 20 0 CGADMM FC(F)(F)[C@H]1CC=C(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001236253862 819406062 /nfs/dbraw/zinc/40/60/62/819406062.db2.gz LJWNQSPATWBWPO-JTQLQIEISA-N -1 1 295.268 3.008 20 0 CGADMM Cc1ccc(F)c(-c2nccc3cnccc32)c1[O-] ZINC001236389173 819446467 /nfs/dbraw/zinc/44/64/67/819446467.db2.gz BJCAENFFEYLOTQ-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM Cc1nc2ccc(-c3c(F)ccc(C)c3[O-])nc2[nH]1 ZINC001236392432 819447487 /nfs/dbraw/zinc/44/74/87/819447487.db2.gz PFOQDRWJJYRJAT-UHFFFAOYSA-N -1 1 257.268 3.086 20 0 CGADMM COc1cccc2ncnc(-c3c(F)ccc(C)c3[O-])c21 ZINC001236394630 819450025 /nfs/dbraw/zinc/45/00/25/819450025.db2.gz ZAHMSSOVWWZJJS-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM COC(=O)c1ccc(C)c(-c2cc(F)cc(F)c2[O-])c1 ZINC001243503149 823421485 /nfs/dbraw/zinc/42/14/85/823421485.db2.gz PUSJTYUABNUCNR-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM COc1ncc2cc[nH]c2c1-c1cc(F)cc(F)c1[O-] ZINC001243504617 823423458 /nfs/dbraw/zinc/42/34/58/823423458.db2.gz MZTNNNNYVSOPCT-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM COC(=O)c1cc(-c2cc(F)cc(F)c2[O-])ccc1C ZINC001243504553 823423490 /nfs/dbraw/zinc/42/34/90/823423490.db2.gz RJBDATMQWLOTKO-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM COC(=O)c1c(F)cccc1-c1cc(F)cc(F)c1[O-] ZINC001243506456 823423950 /nfs/dbraw/zinc/42/39/50/823423950.db2.gz WHKGGAVRBAERKV-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM CO[C@@H]1CCN(Cc2cc(F)c([O-])c(Cl)c2)[C@H](C)C1 ZINC001237992198 819905059 /nfs/dbraw/zinc/90/50/59/819905059.db2.gz HYQLYLROSYQBAB-MWLCHTKSSA-N -1 1 287.762 3.184 20 0 CGADMM CO[C@@H]1CCN(Cc2cc(F)c([O-])c(Cl)c2)[C@@H](C)C1 ZINC001237992194 819905998 /nfs/dbraw/zinc/90/59/98/819905998.db2.gz HYQLYLROSYQBAB-GXSJLCMTSA-N -1 1 287.762 3.184 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@@H]3OCCC[C@@H]3C2)cc1Cl ZINC001238143181 819941053 /nfs/dbraw/zinc/94/10/53/819941053.db2.gz KUYLCUMZFAYNEF-BMIGLBTASA-N -1 1 299.773 3.186 20 0 CGADMM Cc1nc(-c2ccc(Cl)c([O-])c2)cc(N2CCCC2)n1 ZINC001243576992 823451459 /nfs/dbraw/zinc/45/14/59/823451459.db2.gz QGEMRFDVULIQQE-UHFFFAOYSA-N -1 1 289.766 3.411 20 0 CGADMM O=C1Cc2cc(-c3ccc(Cl)c([O-])c3)ccc2N1 ZINC001243577854 823451893 /nfs/dbraw/zinc/45/18/93/823451893.db2.gz HJFUQDSSJURGAH-UHFFFAOYSA-N -1 1 259.692 3.207 20 0 CGADMM CNC(=O)Cc1ccccc1-c1ccc(Cl)c([O-])c1 ZINC001243578467 823452909 /nfs/dbraw/zinc/45/29/09/823452909.db2.gz PUECPCZBSIFNPV-UHFFFAOYSA-N -1 1 275.735 3.001 20 0 CGADMM [O-]c1cc(-c2cccc(-c3nc[nH]n3)c2)ccc1Cl ZINC001243581406 823454409 /nfs/dbraw/zinc/45/44/09/823454409.db2.gz BTRJZMIHDLWCDB-UHFFFAOYSA-N -1 1 271.707 3.498 20 0 CGADMM [O-]c1cc(-c2cc(F)c3nccn3c2)ccc1Cl ZINC001243583277 823455010 /nfs/dbraw/zinc/45/50/10/823455010.db2.gz ZLGNGHLGOZDVIM-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM O=c1ccc(-c2ccc(Cl)c([O-])c2)cn1-c1cccnc1 ZINC001243583039 823455028 /nfs/dbraw/zinc/45/50/28/823455028.db2.gz XCNAXZYYVYBMSO-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM CCc1nccnc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243607777 823465714 /nfs/dbraw/zinc/46/57/14/823465714.db2.gz CQCCQQRMQXIUKA-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM Cc1nc(-c2ccc(C(F)(F)F)cc2[O-])cc(N(C)C)n1 ZINC001243609103 823466632 /nfs/dbraw/zinc/46/66/32/823466632.db2.gz NLHDJISVQYHSIM-UHFFFAOYSA-N -1 1 297.280 3.242 20 0 CGADMM COC(=O)c1nc2cc(-c3ccsc3)ccc2[n-]1 ZINC001239510402 820357118 /nfs/dbraw/zinc/35/71/18/820357118.db2.gz MNDPDRPSDOVFCI-UHFFFAOYSA-N -1 1 258.302 3.078 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccsc3)cc2[n-]1 ZINC001239510402 820357130 /nfs/dbraw/zinc/35/71/30/820357130.db2.gz MNDPDRPSDOVFCI-UHFFFAOYSA-N -1 1 258.302 3.078 20 0 CGADMM [O-]c1ccc(F)cc1-c1cc(OCC2CC2)ccn1 ZINC001240696287 821251942 /nfs/dbraw/zinc/25/19/42/821251942.db2.gz LHMBEFYADMFOLA-UHFFFAOYSA-N -1 1 259.280 3.382 20 0 CGADMM Cn1ccc2c1ccnc2-c1c(F)cc([O-])cc1F ZINC001241116954 821571345 /nfs/dbraw/zinc/57/13/45/821571345.db2.gz JDWIOXYRZKCBLS-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CCOc1cccc(-c2c(F)cc([O-])cc2F)n1 ZINC001241117793 821572982 /nfs/dbraw/zinc/57/29/82/821572982.db2.gz YMANGCMAUJIDDV-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(N3CCCCC3)nn2)c(F)c1 ZINC001241117822 821573468 /nfs/dbraw/zinc/57/34/68/821573468.db2.gz ZFRWUTQNTVPLDY-UHFFFAOYSA-N -1 1 291.301 3.118 20 0 CGADMM COc1cccc2ncnc(-c3c(F)cc([O-])cc3F)c21 ZINC001241120407 821576189 /nfs/dbraw/zinc/57/61/89/821576189.db2.gz SNJXVJSBKVFILS-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3[nH]cnc3c2F)c(F)c1 ZINC001241121114 821577291 /nfs/dbraw/zinc/57/72/91/821577291.db2.gz BQLFOOFWMSMFBO-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM Cc1cc2nccn2cc1-c1c(F)cc([O-])cc1F ZINC001241120918 821577550 /nfs/dbraw/zinc/57/75/50/821577550.db2.gz RWOYWQRHLDUAIO-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM COC(=O)c1cc(OC)ccc1-c1c(F)cc([O-])cc1F ZINC001241120817 821577711 /nfs/dbraw/zinc/57/77/11/821577711.db2.gz MRPNBXVSNUXNSD-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM CCOC(=O)Cc1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241121689 821578646 /nfs/dbraw/zinc/57/86/46/821578646.db2.gz BQENYZSRRDAMJU-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM Cc1noc(-c2cccnc2-c2c(F)ccc([O-])c2F)n1 ZINC001241289562 821706678 /nfs/dbraw/zinc/70/66/78/821706678.db2.gz AQGNSQZHXFWLMU-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM [O-]c1ccc(F)c(-c2nncc3ccc(F)cc32)c1F ZINC001241288997 821707092 /nfs/dbraw/zinc/70/70/92/821707092.db2.gz FRKJVAGOZOTGJL-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(C)cc3F)cc2[n-]1 ZINC001241353947 821756192 /nfs/dbraw/zinc/75/61/92/821756192.db2.gz RWYUGWBUPGCKIS-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(C)cc3F)ccc2[n-]1 ZINC001241353947 821756194 /nfs/dbraw/zinc/75/61/94/821756194.db2.gz RWYUGWBUPGCKIS-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ncncc1F ZINC001242127579 822887660 /nfs/dbraw/zinc/88/76/60/822887660.db2.gz ZYMQLVORHLEETF-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ccc2nccnc2n1 ZINC001242131265 822888763 /nfs/dbraw/zinc/88/87/63/822888763.db2.gz GAHWWAVJCDFFBJ-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM COCc1cc(-c2cc(C(F)(F)F)ccc2[O-])ncn1 ZINC001242131819 822888779 /nfs/dbraw/zinc/88/87/79/822888779.db2.gz RLGQQMSIUTXCNC-UHFFFAOYSA-N -1 1 284.237 3.014 20 0 CGADMM Cn1cnc2ccc(-c3cc(C(F)(F)F)ccc3[O-])nc21 ZINC001242131159 822888914 /nfs/dbraw/zinc/88/89/14/822888914.db2.gz FFHTTWZJGLTCJC-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM [O-]c1ccc(-c2ccc(F)nn2)cc1C(F)(F)F ZINC001242151027 822895266 /nfs/dbraw/zinc/89/52/66/822895266.db2.gz DFRWSPDVCBASTH-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM [O-]c1ccc(-c2ccc3nccnc3n2)cc1C(F)(F)F ZINC001242151461 822895688 /nfs/dbraw/zinc/89/56/88/822895688.db2.gz OXMOOQREGRESPW-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM NC(=S)c1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242157970 822899404 /nfs/dbraw/zinc/89/94/04/822899404.db2.gz PWLSQUZEUXFYBN-UHFFFAOYSA-N -1 1 298.289 3.107 20 0 CGADMM Cc1c(F)cc(C(=O)[O-])cc1-c1ccc2nc[nH]c2c1 ZINC001242208637 822910676 /nfs/dbraw/zinc/91/06/76/822910676.db2.gz CXULUBVUORMPPH-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM COC(=O)c1c(F)cc(C)cc1-c1ccc(F)cc1[O-] ZINC001242220782 822916910 /nfs/dbraw/zinc/91/69/10/822916910.db2.gz ACNYGPJZYLNHGF-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM COc1nc(OC)c(-c2ccc(F)cc2[O-])cc1SC ZINC001242222632 822917951 /nfs/dbraw/zinc/91/79/51/822917951.db2.gz ZVMDNCPDHNHQNK-UHFFFAOYSA-N -1 1 295.335 3.332 20 0 CGADMM COc1nc(-c2ccccc2)nc(-c2cccc(C)c2[O-])n1 ZINC001242344244 822957543 /nfs/dbraw/zinc/95/75/43/822957543.db2.gz GTKJVCDZZITTIO-UHFFFAOYSA-N -1 1 293.326 3.228 20 0 CGADMM COCc1ccc(-c2cccc(F)c2[O-])c(F)c1 ZINC001242352463 822962582 /nfs/dbraw/zinc/96/25/82/822962582.db2.gz JHMBHSHGSCSXKY-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM COc1ccnc2cc(-c3cccc(F)c3[O-])cnc21 ZINC001242354255 822963279 /nfs/dbraw/zinc/96/32/79/822963279.db2.gz VZUTVXQQTBSNBE-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM O=[P@@]([O-])(O)c1ccc(C2=CCCCCCC2)cc1 ZINC001242505858 823013835 /nfs/dbraw/zinc/01/38/35/823013835.db2.gz NFDCRTXKTHGXTI-UHFFFAOYSA-N -1 1 266.277 3.227 20 0 CGADMM O=[P@]([O-])(O)c1ccc(C2=CCCCCCC2)cc1 ZINC001242505858 823013838 /nfs/dbraw/zinc/01/38/38/823013838.db2.gz NFDCRTXKTHGXTI-UHFFFAOYSA-N -1 1 266.277 3.227 20 0 CGADMM CC(C)(C)c1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1Cl ZINC001363701976 937231874 /nfs/dbraw/zinc/23/18/74/937231874.db2.gz CFCOOLAIJPFXCI-UHFFFAOYSA-N -1 1 293.754 3.319 20 0 CGADMM CCCS(=O)(=O)[N-]c1ccccc1Oc1ccncc1 ZINC001320671168 928495116 /nfs/dbraw/zinc/49/51/16/928495116.db2.gz YBOWKAXTOKKQJC-UHFFFAOYSA-N -1 1 292.360 3.026 20 0 CGADMM Cc1cnc(SC[C@H]2CCCC23CCOCC3)[n-]c1=O ZINC001412928973 928722627 /nfs/dbraw/zinc/72/26/27/928722627.db2.gz MVPTVLKUJRQJBW-GFCCVEGCSA-N -1 1 294.420 3.180 20 0 CGADMM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1ccc([O-])cn1 ZINC001442751514 937344020 /nfs/dbraw/zinc/34/40/20/937344020.db2.gz BBVCDFWYFGKHPY-OCCSQVGLSA-N -1 1 290.407 3.370 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@@H](C(C)(C)C)C2)c1 ZINC001446716518 937364229 /nfs/dbraw/zinc/36/42/29/937364229.db2.gz RSYHMENEKIERDM-CYBMUJFWSA-N -1 1 289.375 3.021 20 0 CGADMM O=C(CCNc1ccccc1)Nc1ccc([O-])c(F)c1F ZINC001449440282 937379890 /nfs/dbraw/zinc/37/98/90/937379890.db2.gz CTAFEUJOKCFVJG-UHFFFAOYSA-N -1 1 292.285 3.111 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C1(c2ccccc2)CC1 ZINC001451742417 937391612 /nfs/dbraw/zinc/39/16/12/937391612.db2.gz MCCYQODMCPVMNS-UHFFFAOYSA-N -1 1 289.281 3.341 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC001456535305 937432023 /nfs/dbraw/zinc/43/20/23/937432023.db2.gz STIFKYUUJOLDIL-WHLNPGIBSA-N -1 1 294.354 3.105 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC001456535302 937432237 /nfs/dbraw/zinc/43/22/37/937432237.db2.gz STIFKYUUJOLDIL-HVHJFMEUSA-N -1 1 294.354 3.105 20 0 CGADMM O=Cc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)cs1 ZINC001456607728 937433022 /nfs/dbraw/zinc/43/30/22/937433022.db2.gz QOQXDYVUCTVDNI-UHFFFAOYSA-N -1 1 299.710 3.311 20 0 CGADMM CC[C@H](Oc1cc([O-])cc2oc(=O)ccc12)C(C)C ZINC001229131353 932101716 /nfs/dbraw/zinc/10/17/16/932101716.db2.gz GSHTVYSLDRRMSU-LBPRGKRZSA-N -1 1 262.305 3.312 20 0 CGADMM CCCC[C@@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135969 932103494 /nfs/dbraw/zinc/10/34/94/932103494.db2.gz SPVIMGQPRZUUPA-SNVBAGLBSA-N -1 1 262.305 3.456 20 0 CGADMM COc1cc2ccc(=O)oc2c(O[C@H](C)CC(C)C)c1[O-] ZINC001229216817 932116987 /nfs/dbraw/zinc/11/69/87/932116987.db2.gz UNQMGTLXXLZAEI-SNVBAGLBSA-N -1 1 292.331 3.321 20 0 CGADMM [O-]c1cc(OC[C@H]2CCCO2)c(Cl)cc1Cl ZINC001229410214 932147039 /nfs/dbraw/zinc/14/70/39/932147039.db2.gz JNBPWCKPCONQJX-SSDOTTSWSA-N -1 1 263.120 3.257 20 0 CGADMM Cc1cc(NCc2ccc([O-])c(F)c2F)cnc1C ZINC001462535606 937648371 /nfs/dbraw/zinc/64/83/71/937648371.db2.gz IXTAZTJTDOQILT-UHFFFAOYSA-N -1 1 264.275 3.294 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCCc2ccccc21 ZINC001463636667 937678659 /nfs/dbraw/zinc/67/86/59/937678659.db2.gz WDIQXHIVRYILEG-UHFFFAOYSA-N -1 1 271.291 3.124 20 0 CGADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001464077906 937685797 /nfs/dbraw/zinc/68/57/97/937685797.db2.gz NMYHARMMAMHGAS-DOMZBBRYSA-N -1 1 289.375 3.212 20 0 CGADMM CC(C)c1ccc(CCCNC(=O)c2ncccc2[O-])cc1 ZINC001465053298 937697558 /nfs/dbraw/zinc/69/75/58/937697558.db2.gz PUWPKVUYNDYMFX-UHFFFAOYSA-N -1 1 298.386 3.273 20 0 CGADMM CCC1(NC(=O)c2c([O-])cnc3c(F)cccc32)CCC1 ZINC001465714825 937703053 /nfs/dbraw/zinc/70/30/53/937703053.db2.gz RNZCKHYHTRLOGP-UHFFFAOYSA-N -1 1 288.322 3.142 20 0 CGADMM CC(C)CCn1ccc(NC(=O)c2cccc([O-])c2F)n1 ZINC001465817525 937703659 /nfs/dbraw/zinc/70/36/59/937703659.db2.gz DFHQENAFFBHBIV-UHFFFAOYSA-N -1 1 291.326 3.026 20 0 CGADMM Cc1cnc(C(=O)N[C@@]2(C)CCCc3ccccc32)c([O-])c1 ZINC001466334748 937707833 /nfs/dbraw/zinc/70/78/33/937707833.db2.gz OSDDKXJKMJFIED-SFHVURJKSA-N -1 1 296.370 3.077 20 0 CGADMM CSc1cccc(NC(=O)c2ccc([O-])cn2)c1C ZINC001466477506 937709652 /nfs/dbraw/zinc/70/96/52/937709652.db2.gz DZMBXEWAFVSPPO-UHFFFAOYSA-N -1 1 274.345 3.070 20 0 CGADMM CC[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccccn1 ZINC001468773181 937731402 /nfs/dbraw/zinc/73/14/02/937731402.db2.gz OOBFEMUIQRLCSE-LBPRGKRZSA-N -1 1 290.750 3.322 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CC2CCC1CC2 ZINC001469159952 937735787 /nfs/dbraw/zinc/73/57/87/937735787.db2.gz HQCQHDCBPWDMOH-NWGYLPEXSA-N -1 1 281.302 3.435 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCC(C2CCC2)CC1 ZINC001469916543 937745516 /nfs/dbraw/zinc/74/55/16/937745516.db2.gz BHBCKHFGLRSPLP-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)c1ccccc1 ZINC001321795062 934213187 /nfs/dbraw/zinc/21/31/87/934213187.db2.gz YIJCTPUSKNBXBG-UHFFFAOYSA-N -1 1 292.132 3.407 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cc2c(cccc2F)[nH]1 ZINC001471166934 937762026 /nfs/dbraw/zinc/76/20/26/937762026.db2.gz UJECXEMBMZBTNS-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM CC(C)(Nc1ccccc1)C(=O)Nc1cccc(F)c1[O-] ZINC001471168153 937762137 /nfs/dbraw/zinc/76/21/37/937762137.db2.gz MENLYCXGTSIHCP-UHFFFAOYSA-N -1 1 288.322 3.361 20 0 CGADMM CC[C@H](C)NC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001472477444 937776802 /nfs/dbraw/zinc/77/68/02/937776802.db2.gz MBRXCHXVTVAERQ-QMMMGPOBSA-N -1 1 278.739 3.122 20 0 CGADMM CC(C)O[N-]C(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC001328152450 935120131 /nfs/dbraw/zinc/12/01/31/935120131.db2.gz XIPFUXVEGWHSBH-VIFPVBQESA-N -1 1 275.270 3.265 20 0 CGADMM CC(C)CON=c1cc(Cl)[n-]c(C2CCC2)n1 ZINC001333740003 936062071 /nfs/dbraw/zinc/06/20/71/936062071.db2.gz KPJZNIOIYLUDKL-UHFFFAOYSA-N -1 1 255.749 3.397 20 0 CGADMM O=C([N-]c1cccc(F)c1F)c1ocnc1C(F)F ZINC001526905053 938058858 /nfs/dbraw/zinc/05/88/58/938058858.db2.gz UARRVYSDNFYRNP-UHFFFAOYSA-N -1 1 274.173 3.143 20 0 CGADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(F)c(F)c1 ZINC001543931286 938142330 /nfs/dbraw/zinc/14/23/30/938142330.db2.gz VNLWBFJBQBSCQR-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM Cc1cc(C)cc(CCNC(=O)c2cccc([O-])c2F)c1 ZINC001544108264 938143415 /nfs/dbraw/zinc/14/34/15/938143415.db2.gz JZDPBHAVIKOLDQ-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM O=C(NCc1cccc(F)c1F)c1c([O-])cccc1Cl ZINC001557767194 938211632 /nfs/dbraw/zinc/21/16/32/938211632.db2.gz MKLLKCVGWNGEOT-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1Cc2ccc(Cl)cc21 ZINC001557957510 938212670 /nfs/dbraw/zinc/21/26/70/938212670.db2.gz UWTQEPKICWQKEK-NSHDSACASA-N -1 1 291.709 3.463 20 0 CGADMM Cc1ccsc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001558209341 938214234 /nfs/dbraw/zinc/21/42/34/938214234.db2.gz WHKMNPXVBMBUQP-UHFFFAOYSA-N -1 1 281.764 3.346 20 0 CGADMM Cc1cc(F)ccc1[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC001558261539 938214300 /nfs/dbraw/zinc/21/43/00/938214300.db2.gz DIEFQDWCYJLTDD-SNVBAGLBSA-N -1 1 291.297 3.470 20 0 CGADMM O=C(/C=C/c1ccc[nH]1)Nc1cc(F)c([O-])cc1Cl ZINC001558644446 938216924 /nfs/dbraw/zinc/21/69/24/938216924.db2.gz KXOQSVISZOCBMS-ONEGZZNKSA-N -1 1 280.686 3.165 20 0 CGADMM CCCCCCC(=O)Nc1nc(Cl)ccc1[O-] ZINC001558966717 938218668 /nfs/dbraw/zinc/21/86/68/938218668.db2.gz YCWOUNIDDALEQW-UHFFFAOYSA-N -1 1 256.733 3.350 20 0 CGADMM C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001563484004 938303356 /nfs/dbraw/zinc/30/33/56/938303356.db2.gz KYGUPFICIFDSJU-ZWNOBZJWSA-N -1 1 296.798 3.424 20 0 CGADMM CC[C@H](NCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000378665095 971569207 /nfs/dbraw/zinc/56/92/07/971569207.db2.gz JCVWPNKPGBYKAR-NSHDSACASA-N -1 1 276.361 3.082 20 0 CGADMM O=C([O-])c1ccc(CNCc2sccc2Cl)cc1 ZINC001595232633 949362402 /nfs/dbraw/zinc/36/24/02/949362402.db2.gz OZFRIHWWCHEUPE-UHFFFAOYSA-N -1 1 281.764 3.390 20 0 CGADMM COc1ccccc1[C@H](C)NCc1ccsc1C(=O)[O-] ZINC000234901313 960376908 /nfs/dbraw/zinc/37/69/08/960376908.db2.gz WCONTNRETIDUNK-JTQLQIEISA-N -1 1 291.372 3.306 20 0 CGADMM C/C(=C\C(=O)[O-])CSc1nc2ccc(Cl)cc2[nH]1 ZINC001588952310 960490102 /nfs/dbraw/zinc/49/01/02/960490102.db2.gz NEWYPUYIIYOSFP-QPJJXVBHSA-N -1 1 282.752 3.339 20 0 CGADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ncc(C)cc1[O-] ZINC001565580490 960792075 /nfs/dbraw/zinc/79/20/75/960792075.db2.gz YWYFVXPNAXTJJB-OLZOCXBDSA-N -1 1 276.380 3.184 20 0 CGADMM CC(C)N(C(=O)c1ccc(F)c([O-])c1)C1CCCC1 ZINC001565640852 960798675 /nfs/dbraw/zinc/79/86/75/960798675.db2.gz YBPPULTUUNZLFC-UHFFFAOYSA-N -1 1 265.328 3.325 20 0 CGADMM CC[C@@H](CN(CC)C(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001567814435 961435279 /nfs/dbraw/zinc/43/52/79/961435279.db2.gz JOHKQBUXPYIQKL-AWEZNQCLSA-N -1 1 298.386 3.443 20 0 CGADMM CCCC[C@H](C)N(C)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001570051717 961891009 /nfs/dbraw/zinc/89/10/09/961891009.db2.gz VZRBAZSNEAKAAA-LBPRGKRZSA-N -1 1 277.364 3.164 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])cn2)[C@@H]1c1cccs1 ZINC001570041059 961897993 /nfs/dbraw/zinc/89/79/93/961897993.db2.gz XXIWIXULMWBCHT-CYBMUJFWSA-N -1 1 288.372 3.072 20 0 CGADMM Cc1cccc(CC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001570101830 961904646 /nfs/dbraw/zinc/90/46/46/961904646.db2.gz NJIRUPONRDLVFS-UHFFFAOYSA-N -1 1 277.270 3.160 20 0 CGADMM O=C(Nc1cccc(F)c1F)c1ccc(F)c([O-])c1 ZINC001583597257 962828632 /nfs/dbraw/zinc/82/86/32/962828632.db2.gz VCPYCNCOPZOCRD-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cnc3ccccn23)c([O-])c1 ZINC001583877992 962855801 /nfs/dbraw/zinc/85/58/01/962855801.db2.gz RXADSSMQUMMZQX-UHFFFAOYSA-N -1 1 295.342 3.416 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CC2CCC1CC2 ZINC001584008203 962878129 /nfs/dbraw/zinc/87/81/29/962878129.db2.gz JUFAJTHWIYKNRK-QIMFLAQGSA-N -1 1 263.312 3.062 20 0 CGADMM Cc1ccc(CC2CN(C(=O)c3ccc(F)c([O-])c3)C2)cc1 ZINC001584808687 962959253 /nfs/dbraw/zinc/95/92/53/962959253.db2.gz IYYFERLNZQVYRI-UHFFFAOYSA-N -1 1 299.345 3.154 20 0 CGADMM CC1(C)CCC[C@@H]1CCNC(=O)c1ccc(F)c([O-])c1 ZINC001585391917 963011366 /nfs/dbraw/zinc/01/13/66/963011366.db2.gz OSPZWLBBUQXFBM-GFCCVEGCSA-N -1 1 279.355 3.478 20 0 CGADMM CCc1cc([N-]C(=O)c2oc(C3CC3)nc2C(F)F)no1 ZINC001586731512 963133080 /nfs/dbraw/zinc/13/30/80/963133080.db2.gz ZPNMAZQGTPJBPG-UHFFFAOYSA-N -1 1 297.261 3.292 20 0 CGADMM CCOc1ccc(C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001587385332 963190978 /nfs/dbraw/zinc/19/09/78/963190978.db2.gz QHWCDWSPJCDELN-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@H]1Cc1ccccc1 ZINC001587771382 963221374 /nfs/dbraw/zinc/22/13/74/963221374.db2.gz BQGKKHAIRGLISP-HNNXBMFYSA-N -1 1 299.345 3.379 20 0 CGADMM CCN(Cc1cccs1)C(=O)c1cccc([O-])c1F ZINC001588204970 963258641 /nfs/dbraw/zinc/25/86/41/963258641.db2.gz BHYSIMJXVKSHCN-UHFFFAOYSA-N -1 1 279.336 3.255 20 0 CGADMM C/C(=C\C(=O)[O-])CN(C)[C@@H](C)c1nc2ccccc2s1 ZINC001588947123 963333962 /nfs/dbraw/zinc/33/39/62/963333962.db2.gz VUJSOJOFYKDYGM-UQSGXBNBSA-N -1 1 290.388 3.320 20 0 CGADMM Cc1c(C(=O)[O-])cc(CN[C@H](C)c2ccccc2F)n1C ZINC000313999669 963698321 /nfs/dbraw/zinc/69/83/21/963698321.db2.gz JOTJUXVVZDAPIJ-SNVBAGLBSA-N -1 1 290.338 3.022 20 0 CGADMM CC[C@H](N[C@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC001589566933 964000305 /nfs/dbraw/zinc/00/03/05/964000305.db2.gz AGUTZOJCSLCBKY-PWSUYJOCSA-N -1 1 261.321 3.255 20 0 CGADMM CC(C)c1[nH]c(CN[C@H](C)c2cccnc2)cc1C(=O)[O-] ZINC001591916040 976361170 /nfs/dbraw/zinc/36/11/70/976361170.db2.gz GDGRCTCTUJAMBK-LLVKDONJSA-N -1 1 287.363 3.082 20 0 CGADMM CCCC1CCN([C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001595623077 981717390 /nfs/dbraw/zinc/71/73/90/981717390.db2.gz BQGHMQSQUCRZIG-SNVBAGLBSA-N -1 1 282.409 3.414 20 0 CGADMM CCCCCN(Cc1ncc(C(=O)[O-])s1)C(C)C ZINC001595716249 982320235 /nfs/dbraw/zinc/32/02/35/982320235.db2.gz UCQLTPQPJBADSC-UHFFFAOYSA-N -1 1 270.398 3.242 20 0 CGADMM Cc1[nH]c(CN(C)[C@H](C)c2cccs2)cc1C(=O)[O-] ZINC001599962197 985806480 /nfs/dbraw/zinc/80/64/80/985806480.db2.gz MMWVJLKEDWHIDA-SNVBAGLBSA-N -1 1 278.377 3.276 20 0 CGADMM CC[C@H](NCc1ccc(C(=O)[O-])n1C)c1ccccc1F ZINC001597349550 987486916 /nfs/dbraw/zinc/48/69/16/987486916.db2.gz OYQWVXGVXCHHJI-AWEZNQCLSA-N -1 1 290.338 3.103 20 0 CGADMM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(F)cc1Cl ZINC001599841431 988841802 /nfs/dbraw/zinc/84/18/02/988841802.db2.gz HJFYBBDOFJUAJU-MRVPVSSYSA-N -1 1 296.729 3.356 20 0 CGADMM CCc1noc(C)c1CN[C@@H](C)c1cc(C(=O)[O-])cs1 ZINC001597745806 989113353 /nfs/dbraw/zinc/11/33/53/989113353.db2.gz HYIHWCXMVLOPBT-QMMMGPOBSA-N -1 1 294.376 3.156 20 0 CGADMM CC(C)CCN([C@@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001591239877 992128029 /nfs/dbraw/zinc/12/80/29/992128029.db2.gz FKXWPUKBUOMIRM-JTQLQIEISA-N -1 1 282.409 3.413 20 0 CGADMM COc1ccc(C(=O)[O-])cc1CN[C@@H](C)c1ccccc1 ZINC001599499762 997094161 /nfs/dbraw/zinc/09/41/61/997094161.db2.gz BACIWTMMFKOZFO-LBPRGKRZSA-N -1 1 285.343 3.244 20 0 CGADMM CO[C@]1(C)CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001599086962 997116179 /nfs/dbraw/zinc/11/61/79/997116179.db2.gz CKRVXUQJIWSSEX-OAHLLOKOSA-N -1 1 297.782 3.039 20 0 CGADMM CCc1nc(SCc2cncc(Cl)c2)[n-]c(=O)c1C ZINC000621996957 349619541 /nfs/dbraw/zinc/61/95/41/349619541.db2.gz AUMFTJFHJPCELD-UHFFFAOYSA-N -1 1 295.795 3.394 20 0 CGADMM CCC(CC)(CC)CN=c1nc([C@H](C)OC)[n-]s1 ZINC000337882024 214299205 /nfs/dbraw/zinc/29/92/05/214299205.db2.gz VJESTWJMWXTADP-JTQLQIEISA-N -1 1 271.430 3.296 20 0 CGADMM CC[C@H](CSC)NC(=O)c1ccc2ccccc2c1[O-] ZINC000164121039 529415021 /nfs/dbraw/zinc/41/50/21/529415021.db2.gz CMZIRSPZBQTSLW-GFCCVEGCSA-N -1 1 289.400 3.417 20 0 CGADMM CC[C@@H](CSC)NC(=O)c1cc2ccccc2cc1[O-] ZINC000164120447 529531242 /nfs/dbraw/zinc/53/12/42/529531242.db2.gz OFIVVPXTCCILPA-ZDUSSCGKSA-N -1 1 289.400 3.417 20 0 CGADMM CC[C@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H]1CCCO1 ZINC000436603691 529569702 /nfs/dbraw/zinc/56/97/02/529569702.db2.gz HXQFJPMIJRTQRP-JKSUJKDBSA-N -1 1 299.370 3.233 20 0 CGADMM CCc1ccc(CN[C@@H](CCC(C)(C)C)C(=O)[O-])o1 ZINC000426756854 529654865 /nfs/dbraw/zinc/65/48/65/529654865.db2.gz MKJIQLCUSSCYEH-ZDUSSCGKSA-N -1 1 267.369 3.211 20 0 CGADMM CC[C@H](C)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436877857 529684349 /nfs/dbraw/zinc/68/43/49/529684349.db2.gz HZIDJZUGDPEKAQ-QMMMGPOBSA-N -1 1 250.273 3.170 20 0 CGADMM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1cccc(F)c1 ZINC000091780268 345823460 /nfs/dbraw/zinc/82/34/60/345823460.db2.gz WBFGOYSOELEDQL-SNVBAGLBSA-N -1 1 277.295 3.310 20 0 CGADMM C[C@H](c1ccccc1Cl)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133705 345804881 /nfs/dbraw/zinc/80/48/81/345804881.db2.gz XQLKPFKMCPAHDO-MNOVXSKESA-N -1 1 299.823 3.293 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])cc1Br)C1CCC1 ZINC000226738041 346307145 /nfs/dbraw/zinc/30/71/45/346307145.db2.gz MMGDGSQIMNDOHG-UHFFFAOYSA-N -1 1 298.180 3.132 20 0 CGADMM CC1=CCCN(c2c(C(=O)[O-])cnc3ccccc32)C1 ZINC000230813198 346321792 /nfs/dbraw/zinc/32/17/92/346321792.db2.gz UNOFJSRCBVDDCS-UHFFFAOYSA-N -1 1 268.316 3.089 20 0 CGADMM CN(Cc1cccc(C(=O)[O-])c1Cl)C[C@@H]1CCCCO1 ZINC000381582604 346558276 /nfs/dbraw/zinc/55/82/76/346558276.db2.gz JWAHNLMKKRRAAF-LBPRGKRZSA-N -1 1 297.782 3.039 20 0 CGADMM CO[C@@H]([C@H](C)NC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000388324234 346570166 /nfs/dbraw/zinc/57/01/66/346570166.db2.gz YRDVYBYVTUHXRQ-GTNSWQLSSA-N -1 1 299.370 3.089 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(Cl)cc1F)CC2 ZINC000405379992 346603207 /nfs/dbraw/zinc/60/32/07/346603207.db2.gz WSTDXFGCVSRGSA-LBPRGKRZSA-N -1 1 297.757 3.166 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccco1 ZINC000584845344 346718902 /nfs/dbraw/zinc/71/89/02/346718902.db2.gz SVNOUJMONOFUIS-LBPRGKRZSA-N -1 1 275.304 3.216 20 0 CGADMM C[S@](=O)c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000339301812 215079630 /nfs/dbraw/zinc/07/96/30/215079630.db2.gz KAWOVSQCXLOLFV-IBGZPJMESA-N -1 1 295.791 3.395 20 0 CGADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2cc(F)ccc2[O-])C1 ZINC000128623756 187380921 /nfs/dbraw/zinc/38/09/21/187380921.db2.gz QGGNUYOKQFPJRI-CMPLNLGQSA-N -1 1 265.328 3.182 20 0 CGADMM CCCc1[n-]n(-c2cccc(C(=O)OC)c2)c(=O)c1CC ZINC000601946027 347927772 /nfs/dbraw/zinc/92/77/72/347927772.db2.gz XTLIOBQCUKMDPP-CYBMUJFWSA-N -1 1 288.347 3.002 20 0 CGADMM Cc1ccc(OCC(=O)Nc2c([O-])cccc2F)c(C)c1 ZINC000605434893 348155351 /nfs/dbraw/zinc/15/53/51/348155351.db2.gz DAYLAWGMPWOTGZ-UHFFFAOYSA-N -1 1 289.306 3.166 20 0 CGADMM O=C(CCCOc1ccccc1)Nc1c([O-])cccc1F ZINC000605440723 348155836 /nfs/dbraw/zinc/15/58/36/348155836.db2.gz ZBNWJCDPGOXKPM-UHFFFAOYSA-N -1 1 289.306 3.329 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc(-c2cnco2)cc1 ZINC000605440482 348156077 /nfs/dbraw/zinc/15/60/77/348156077.db2.gz SPIDMEHJXKKYMQ-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM CC(C)c1nc(=NCC(C)(C)Cc2ccccc2)o[n-]1 ZINC000605694074 348167556 /nfs/dbraw/zinc/16/75/56/348167556.db2.gz ORONAQDPVJDCII-UHFFFAOYSA-N -1 1 273.380 3.296 20 0 CGADMM C[C@H](C(=O)Nc1c([O-])cccc1F)c1cccc(F)c1 ZINC000608365268 348301616 /nfs/dbraw/zinc/30/16/16/348301616.db2.gz DTSQRLNGZQVKOJ-VIFPVBQESA-N -1 1 277.270 3.413 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cnn(CC3CC3)c2)c([O-])c1 ZINC000608488639 348312656 /nfs/dbraw/zinc/31/26/56/348312656.db2.gz WPJDLQUSYJDRNT-UHFFFAOYSA-N -1 1 299.374 3.374 20 0 CGADMM CCCCS[C@@H](C)C(=O)Nc1c([O-])cccc1F ZINC000609851216 348355177 /nfs/dbraw/zinc/35/51/77/348355177.db2.gz UYLUEAKNHGTXAV-VIFPVBQESA-N -1 1 271.357 3.392 20 0 CGADMM CCCCCc1cc(C(=O)Nc2c([O-])cccc2F)n[nH]1 ZINC000613029548 348560647 /nfs/dbraw/zinc/56/06/47/348560647.db2.gz SKEFDTZCOOWMMO-UHFFFAOYSA-N -1 1 291.326 3.239 20 0 CGADMM O=c1c2c([n-]n1Cc1ccc(F)c(F)c1)CCCCC2 ZINC000614187340 348656864 /nfs/dbraw/zinc/65/68/64/348656864.db2.gz UOHSWWWDLYODLR-LLVKDONJSA-N -1 1 278.302 3.243 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@@H](C2CCC2)C1 ZINC000616326748 348809970 /nfs/dbraw/zinc/80/99/70/348809970.db2.gz MJNGCHMRQUVUHO-CQSZACIVSA-N -1 1 296.370 3.203 20 0 CGADMM CC[C@@H](C)N(CC)C(=O)c1ncc2ccccc2c1[O-] ZINC000616973995 348886599 /nfs/dbraw/zinc/88/65/99/348886599.db2.gz GBYNUPZNZKCFSG-LLVKDONJSA-N -1 1 272.348 3.201 20 0 CGADMM CN(C[C@@H]1CCc2ccccc21)C(=O)c1ccc([O-])cc1F ZINC000620686890 349411384 /nfs/dbraw/zinc/41/13/84/349411384.db2.gz KODLFGLGJPZSGS-ZDUSSCGKSA-N -1 1 299.345 3.333 20 0 CGADMM C[C@H](Cc1nc(-c2ccc([O-])cc2F)no1)C(F)(F)F ZINC000624576694 350066723 /nfs/dbraw/zinc/06/67/23/350066723.db2.gz NVVVOQZHVMUCTO-ZCFIWIBFSA-N -1 1 290.216 3.322 20 0 CGADMM CC(C)CO[C@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625227811 350144687 /nfs/dbraw/zinc/14/46/87/350144687.db2.gz OZTBZFQLUULRDR-AWEZNQCLSA-N -1 1 283.799 3.293 20 0 CGADMM COCc1cc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)no1 ZINC000352198829 219358118 /nfs/dbraw/zinc/35/81/18/219358118.db2.gz QVIPXUNVMQIEER-UHFFFAOYSA-N -1 1 299.330 3.260 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1coc(C2CCC2)n1 ZINC000628959911 350625376 /nfs/dbraw/zinc/62/53/76/350625376.db2.gz MJRLTXPEBWIQRS-UHFFFAOYSA-N -1 1 276.267 3.039 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CC12CCSCC2 ZINC000628960275 350626491 /nfs/dbraw/zinc/62/64/91/350626491.db2.gz MSYKXWKHIJUPPS-SECBINFHSA-N -1 1 281.352 3.003 20 0 CGADMM O=C(C[C@@H]1C=CCCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378742 350685337 /nfs/dbraw/zinc/68/53/37/350685337.db2.gz JAMWCMPRTLANQQ-CYBMUJFWSA-N -1 1 297.358 3.263 20 0 CGADMM Cc1nc(SC[C@H]2CCO[C@H](C)C2)[n-]c(=O)c1C1CC1 ZINC000631022876 350926623 /nfs/dbraw/zinc/92/66/23/350926623.db2.gz BWUALNWUNQFQAQ-KOLCDFICSA-N -1 1 294.420 3.275 20 0 CGADMM Cc1nc(SCc2cncc(F)c2)[n-]c(=O)c1C1CC1 ZINC000631023390 350927064 /nfs/dbraw/zinc/92/70/64/350927064.db2.gz PIBAZJAQXYFCQW-UHFFFAOYSA-N -1 1 291.351 3.194 20 0 CGADMM Cc1nc(SC[C@H]2CCCCO2)[n-]c(=O)c1C1CC1 ZINC000631024465 350927406 /nfs/dbraw/zinc/92/74/06/350927406.db2.gz UPOXAWVNFDTAKC-LLVKDONJSA-N -1 1 280.393 3.029 20 0 CGADMM CC(C)C([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(C)C ZINC000632123485 351170111 /nfs/dbraw/zinc/17/01/11/351170111.db2.gz ZPFLBFUCSYTIHP-UHFFFAOYSA-N -1 1 295.351 3.176 20 0 CGADMM C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000633578823 351325979 /nfs/dbraw/zinc/32/59/79/351325979.db2.gz NATKTHZYTQAFSY-SECBINFHSA-N -1 1 269.772 3.139 20 0 CGADMM CCc1[n-]n(-c2nc3ccccc3o2)c(=O)c1C(C)C ZINC000634586423 351524933 /nfs/dbraw/zinc/52/49/33/351524933.db2.gz KWMHJGJLLLXQSJ-CYBMUJFWSA-N -1 1 271.320 3.213 20 0 CGADMM O=c1c2c([n-]n1Cc1cccc(F)c1)CCCCCC2 ZINC000634589767 351527847 /nfs/dbraw/zinc/52/78/47/351527847.db2.gz ICBWYJPTSAFUAB-AWEZNQCLSA-N -1 1 274.339 3.494 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3nccc4sccc43)c(=O)c21 ZINC000634596687 351533465 /nfs/dbraw/zinc/53/34/65/351533465.db2.gz NNNYQPKKCLCJKY-PRHODGIISA-N -1 1 271.345 3.045 20 0 CGADMM C[C@H](c1ccc(Cl)cc1)n1[n-]c2c(c1=O)CCC2 ZINC000634601418 351536371 /nfs/dbraw/zinc/53/63/71/351536371.db2.gz MCKDXZJTPKOUOY-SKDRFNHKSA-N -1 1 262.740 3.399 20 0 CGADMM Cc1[n-]n(-c2ccc(OC(F)F)cc2)c(=O)c1C1CC1 ZINC000634601627 351536781 /nfs/dbraw/zinc/53/67/81/351536781.db2.gz RPXMGGFRJUNQCC-LBPRGKRZSA-N -1 1 280.274 3.037 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccccc3OC(F)(F)F)c(=O)c21 ZINC000634614377 351543199 /nfs/dbraw/zinc/54/31/99/351543199.db2.gz AYVKVVIIICNCPQ-PRHODGIISA-N -1 1 298.264 3.334 20 0 CGADMM Cc1cc2ccccc2nc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634615848 351544259 /nfs/dbraw/zinc/54/42/59/351544259.db2.gz SWNTVVWINOWCRU-MEBBXXQBSA-N -1 1 279.343 3.292 20 0 CGADMM Cc1[n-]n(-c2ccc(Cl)c(F)c2)c(=O)c1C1CC1 ZINC000634616360 351544801 /nfs/dbraw/zinc/54/48/01/351544801.db2.gz KEGRTMRJVRLRSY-LBPRGKRZSA-N -1 1 266.703 3.228 20 0 CGADMM CCCc1c(C)[n-]n(Cc2cnc3ccccc3c2)c1=O ZINC000634617900 351546225 /nfs/dbraw/zinc/54/62/25/351546225.db2.gz AHBLWGNXZJWQKL-HNNXBMFYSA-N -1 1 281.359 3.369 20 0 CGADMM CCc1c(C)[n-]n(-c2cc(F)ccc2Br)c1=O ZINC000634616673 351546294 /nfs/dbraw/zinc/54/62/94/351546294.db2.gz UAASJPDALVMAFJ-SECBINFHSA-N -1 1 299.143 3.337 20 0 CGADMM O=c1c2c([n-]n1Cc1c(Cl)cccc1Cl)CCC2 ZINC000634630302 351553128 /nfs/dbraw/zinc/55/31/28/351553128.db2.gz RWBJFFOLNVTATK-MRVPVSSYSA-N -1 1 283.158 3.492 20 0 CGADMM CCCC[C@@H](C)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000291947864 198114534 /nfs/dbraw/zinc/11/45/34/198114534.db2.gz FAQCGSGGWXWISN-SNVBAGLBSA-N -1 1 253.317 3.182 20 0 CGADMM Cc1cccc([C@@H]2CCCN2C(=O)c2ncccc2[O-])c1 ZINC000153633596 188094058 /nfs/dbraw/zinc/09/40/58/188094058.db2.gz HZZDFEIXYWSBQX-AWEZNQCLSA-N -1 1 282.343 3.073 20 0 CGADMM CCSCC[C@@H](C)N(C)C(=O)c1ccc([O-])cc1F ZINC000154949599 188171930 /nfs/dbraw/zinc/17/19/30/188171930.db2.gz RPYAYZGZMFEXCB-SNVBAGLBSA-N -1 1 285.384 3.135 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC=C(F)C1 ZINC000336360091 213209095 /nfs/dbraw/zinc/20/90/95/213209095.db2.gz NRUURKGXOFWUJV-UHFFFAOYSA-N -1 1 271.291 3.245 20 0 CGADMM Cc1nc(C(C)C)oc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000294893293 199234502 /nfs/dbraw/zinc/23/45/02/199234502.db2.gz LVUJRKIAQNOSAO-UHFFFAOYSA-N -1 1 295.726 3.113 20 0 CGADMM C[C@@]1(CNC(=O)c2ccc([O-])cc2F)C[C@H]1c1ccccc1 ZINC000436962467 237220862 /nfs/dbraw/zinc/22/08/62/237220862.db2.gz LVXPRWGBKZZKKK-YJBOKZPZSA-N -1 1 299.345 3.455 20 0 CGADMM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCC(C)(C)C1 ZINC000436924317 237213470 /nfs/dbraw/zinc/21/34/70/237213470.db2.gz WRNRZNOJHHIFAJ-NSHDSACASA-N -1 1 265.328 3.182 20 0 CGADMM O=C(NCCCC1CCCCC1)C(=O)c1ccc([O-])cc1 ZINC000438779261 238207656 /nfs/dbraw/zinc/20/76/56/238207656.db2.gz NWEPBEXYLMNKCZ-UHFFFAOYSA-N -1 1 289.375 3.052 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1C1CCCC1 ZINC000181166120 189289844 /nfs/dbraw/zinc/28/98/44/189289844.db2.gz WXJKYHSVXNIOBG-HNNXBMFYSA-N -1 1 277.339 3.326 20 0 CGADMM CC(C)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1C ZINC000182867762 189338134 /nfs/dbraw/zinc/33/81/34/189338134.db2.gz RCSFACCHOSPYCV-UHFFFAOYSA-N -1 1 293.754 3.155 20 0 CGADMM CCC(C)(C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000450975552 240175888 /nfs/dbraw/zinc/17/58/88/240175888.db2.gz XKSBEPFANKQLNM-UHFFFAOYSA-N -1 1 285.340 3.039 20 0 CGADMM CC(C)(C)CC[N-]S(=O)(=O)c1sccc1Cl ZINC000451044287 240199500 /nfs/dbraw/zinc/19/95/00/240199500.db2.gz JJMKLNCTQBLZTP-UHFFFAOYSA-N -1 1 281.830 3.116 20 0 CGADMM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000451305948 240269456 /nfs/dbraw/zinc/26/94/56/240269456.db2.gz LUSURRYPXPKPKC-PSASIEDQSA-N -1 1 293.841 3.259 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1c(F)cccc1F ZINC000120923256 370813043 /nfs/dbraw/zinc/81/30/43/370813043.db2.gz GLCACPMMDUTUQD-UHFFFAOYSA-N -1 1 266.247 3.076 20 0 CGADMM C[N@@H+](CCC1CC1)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459363505 242091757 /nfs/dbraw/zinc/09/17/57/242091757.db2.gz IKCWXSAANCPECV-UHFFFAOYSA-N -1 1 283.375 3.081 20 0 CGADMM CC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000017355577 368732276 /nfs/dbraw/zinc/73/22/76/368732276.db2.gz JHFLVFKWONMZBX-UHFFFAOYSA-N -1 1 269.344 3.418 20 0 CGADMM CCOc1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000019838031 368769729 /nfs/dbraw/zinc/76/97/29/368769729.db2.gz PPIFGIIBUAIPGU-UHFFFAOYSA-N -1 1 287.315 3.052 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCc2sccc2C1 ZINC000019837595 368770206 /nfs/dbraw/zinc/77/02/06/368770206.db2.gz VZJVYWQJEKOLCJ-UHFFFAOYSA-N -1 1 293.775 3.306 20 0 CGADMM Cc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1F ZINC000024284773 368830096 /nfs/dbraw/zinc/83/00/96/368830096.db2.gz ASYYNCUOAPMIGZ-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000032143906 368928127 /nfs/dbraw/zinc/92/81/27/368928127.db2.gz UCHMSHMEEIYXJC-UHFFFAOYSA-N -1 1 289.356 3.080 20 0 CGADMM Cc1nc(C)c(CSc2nc(C)c(C)c(=O)[n-]2)s1 ZINC000330685463 203117874 /nfs/dbraw/zinc/11/78/74/203117874.db2.gz UNIYTLIRUTWEPI-UHFFFAOYSA-N -1 1 281.406 3.165 20 0 CGADMM C[C@@H](c1ccccc1F)S(=O)(=O)c1ccc([O-])cc1 ZINC000049488891 369403447 /nfs/dbraw/zinc/40/34/47/369403447.db2.gz HXZXUSGKQROJMH-JTQLQIEISA-N -1 1 280.320 3.066 20 0 CGADMM CC[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCS1 ZINC000075385551 369906363 /nfs/dbraw/zinc/90/63/63/369906363.db2.gz AKTHEHXHGUIJEK-JTQLQIEISA-N -1 1 285.796 3.013 20 0 CGADMM CCN(CC1CC1)C(=O)c1cc(Br)ccc1[O-] ZINC000112179369 370411650 /nfs/dbraw/zinc/41/16/50/370411650.db2.gz WIMLSVVVLJVJCU-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM CC[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000130439993 371033864 /nfs/dbraw/zinc/03/38/64/371033864.db2.gz LGDQQYFYJXZFFF-GFCCVEGCSA-N -1 1 269.344 3.418 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCCc2ccccc21 ZINC000132865064 371207273 /nfs/dbraw/zinc/20/72/73/371207273.db2.gz ZQPHIOYQAOMHLT-UHFFFAOYSA-N -1 1 271.291 3.124 20 0 CGADMM CCOc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000132857963 371207656 /nfs/dbraw/zinc/20/76/56/371207656.db2.gz ZYPHRSVKQBAPSX-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(Cc2ccccc2)no1 ZINC000132978679 371216435 /nfs/dbraw/zinc/21/64/35/371216435.db2.gz REKCOKNULSEQAL-UHFFFAOYSA-N -1 1 270.263 3.172 20 0 CGADMM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC000422062002 371726871 /nfs/dbraw/zinc/72/68/71/371726871.db2.gz GIGZUBMQWUUIHS-CQSZACIVSA-N -1 1 296.370 3.196 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000153430174 371767684 /nfs/dbraw/zinc/76/76/84/371767684.db2.gz ADWZBDXUCGCKAE-UHFFFAOYSA-N -1 1 251.669 3.199 20 0 CGADMM COc1ccc(C)cc1NC(=O)c1ccc([O-])cc1F ZINC000154752660 371874622 /nfs/dbraw/zinc/87/46/22/371874622.db2.gz APQCMFAZMLTVPP-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCC(=O)c2ccccc21 ZINC000336365147 284308585 /nfs/dbraw/zinc/30/85/85/284308585.db2.gz JRIUYOJKMLTJED-CYBMUJFWSA-N -1 1 299.301 3.230 20 0 CGADMM COCCC1(C)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000291216949 372139031 /nfs/dbraw/zinc/13/90/31/372139031.db2.gz MMNVJWAEDSPIRY-UHFFFAOYSA-N -1 1 299.370 3.044 20 0 CGADMM COc1ccc(S(=O)(=O)[N-]c2cscc2C)c(C)c1 ZINC000161644473 372343942 /nfs/dbraw/zinc/34/39/42/372343942.db2.gz NCKIRRQQUSFBTJ-UHFFFAOYSA-N -1 1 297.401 3.174 20 0 CGADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2F)s1 ZINC000431151502 372437374 /nfs/dbraw/zinc/43/73/74/372437374.db2.gz SDZNALPNEUZARA-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM CCN(Cc1ccccn1)Cc1cccc([O-])c1Cl ZINC000295451864 372788245 /nfs/dbraw/zinc/78/82/45/372788245.db2.gz VHNPJMHSIVEFIO-UHFFFAOYSA-N -1 1 276.767 3.463 20 0 CGADMM COc1cc(C(=O)Nc2cnc(C)s2)cc(Cl)c1[O-] ZINC000442808019 373093101 /nfs/dbraw/zinc/09/31/01/373093101.db2.gz GHGFOPQGOBRAAY-UHFFFAOYSA-N -1 1 298.751 3.071 20 0 CGADMM O=C(N[C@@H]1CCCc2ccccc21)c1ccc([O-])cc1F ZINC000181036671 374072461 /nfs/dbraw/zinc/07/24/61/374072461.db2.gz SSEDTJQOWUPFPQ-MRXNPFEDSA-N -1 1 285.318 3.339 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCC(F)(F)C1 ZINC000305895166 374123971 /nfs/dbraw/zinc/12/39/71/374123971.db2.gz DNVOUBFBXGQHOM-SSDOTTSWSA-N -1 1 275.682 3.420 20 0 CGADMM COc1cc(-c2nc(C3(C)CC3)no2)cc(Cl)c1[O-] ZINC000453308648 374407363 /nfs/dbraw/zinc/40/73/63/374407363.db2.gz WPYGIOJSWDGUSN-UHFFFAOYSA-N -1 1 280.711 3.156 20 0 CGADMM CC1(C(=O)[O-])CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000086776625 541940566 /nfs/dbraw/zinc/94/05/66/541940566.db2.gz AOXUGEKAEGPYEY-UHFFFAOYSA-N -1 1 285.746 3.166 20 0 CGADMM C[C@H](CNC(=O)c1cc(Cl)ccc1[O-])c1nccs1 ZINC000184301183 374512095 /nfs/dbraw/zinc/51/20/95/374512095.db2.gz QMWKIVNBWSVUOP-MRVPVSSYSA-N -1 1 296.779 3.036 20 0 CGADMM CC(C)[C@H]1CN(C(=O)c2ccc([O-])cc2F)[C@H]1C(C)C ZINC000456328185 374514824 /nfs/dbraw/zinc/51/48/24/374514824.db2.gz JJXQARVCHDLINO-HIFRSBDPSA-N -1 1 279.355 3.284 20 0 CGADMM CC(C)CC1(C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000456762116 374616547 /nfs/dbraw/zinc/61/65/47/374616547.db2.gz AIOZCCTVMPAPPH-UHFFFAOYSA-N -1 1 269.291 3.435 20 0 CGADMM O=C(CCC1CCC1)Nc1ccc([O-])c(F)c1F ZINC000456763237 374617635 /nfs/dbraw/zinc/61/76/35/374617635.db2.gz BXXAQSXAEDVQDZ-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM COc1cc(C(=O)N2CC[C@H]3CCC[C@H]32)cc(Cl)c1[O-] ZINC000334379847 374698718 /nfs/dbraw/zinc/69/87/18/374698718.db2.gz ICBKKVFKTJUMOG-BXKDBHETSA-N -1 1 295.766 3.069 20 0 CGADMM O=C(NC1CCC(C(F)F)CC1)c1cc(F)ccc1[O-] ZINC000458181537 374714370 /nfs/dbraw/zinc/71/43/70/374714370.db2.gz OUXSXWVDXFNJED-UHFFFAOYSA-N -1 1 287.281 3.085 20 0 CGADMM COc1cc(C)c([N-]S(=O)(=O)c2ccsc2)cc1C ZINC000334515517 374810981 /nfs/dbraw/zinc/81/09/81/374810981.db2.gz XZLMQFAFESVYPL-UHFFFAOYSA-N -1 1 297.401 3.174 20 0 CGADMM C[C@]1(F)CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000334572989 374872409 /nfs/dbraw/zinc/87/24/09/374872409.db2.gz LRTINWOIXDDGNJ-INIZCTEOSA-N -1 1 273.307 3.120 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1c(F)cccc1Cl ZINC000334603891 374898947 /nfs/dbraw/zinc/89/89/47/374898947.db2.gz RDIMMZXCPMORSG-VHSXEESVSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1cnccc1NC(=O)c1c[nH]nc1-c1ccsc1 ZINC000186726843 374905779 /nfs/dbraw/zinc/90/57/79/374905779.db2.gz KGDVBKLAVCSJFM-UHFFFAOYSA-N -1 1 284.344 3.094 20 0 CGADMM C[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)C(C)(C)C ZINC000335016903 375072786 /nfs/dbraw/zinc/07/27/86/375072786.db2.gz CLPWZLKRNXVWAM-ZETCQYMHSA-N -1 1 257.280 3.291 20 0 CGADMM CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335214697 375234515 /nfs/dbraw/zinc/23/45/15/375234515.db2.gz HAJWTONLUDIVLY-RKDXNWHRSA-N -1 1 269.291 3.435 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCCc2ccncc2)n1 ZINC000487680836 375266366 /nfs/dbraw/zinc/26/63/66/375266366.db2.gz VOOXHBANZXSTCJ-UHFFFAOYSA-N -1 1 289.404 3.255 20 0 CGADMM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC000335710957 375368507 /nfs/dbraw/zinc/36/85/07/375368507.db2.gz ILEXJBSDGLYEIU-ZFWWWQNUSA-N -1 1 296.370 3.196 20 0 CGADMM C[C@@H](C(=O)[N-]OC[C@H]1CCOC1)c1ccc2ccccc2c1 ZINC000191811016 375665390 /nfs/dbraw/zinc/66/53/90/375665390.db2.gz MMMOXYFMZKQSLZ-KGLIPLIRSA-N -1 1 299.370 3.028 20 0 CGADMM O=C(Nc1cccc(C2CC2)n1)c1ccc([O-])cc1F ZINC000336157863 375735551 /nfs/dbraw/zinc/73/55/51/375735551.db2.gz ZLIHQEJAKFFTLM-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC000193158011 375835223 /nfs/dbraw/zinc/83/52/23/375835223.db2.gz NYPJZGYFTNXZAV-LLVKDONJSA-N -1 1 283.327 3.252 20 0 CGADMM COC(=O)c1c[n-]c(S[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000193543595 375893430 /nfs/dbraw/zinc/89/34/30/375893430.db2.gz ACUUXULIYQLDCX-SSDOTTSWSA-N -1 1 298.314 3.328 20 0 CGADMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])C1CCC1 ZINC000160230576 542153810 /nfs/dbraw/zinc/15/38/10/542153810.db2.gz WXERSGYHSWBNKK-QMMMGPOBSA-N -1 1 298.180 3.073 20 0 CGADMM C[C@H](C1CC1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000557928871 376964633 /nfs/dbraw/zinc/96/46/33/376964633.db2.gz YNIMJHXZDADBAB-MRVPVSSYSA-N -1 1 287.281 3.282 20 0 CGADMM O=C(Cc1ccc(Cl)cc1)Nc1ccc(F)cc1[O-] ZINC000340329418 377005014 /nfs/dbraw/zinc/00/50/14/377005014.db2.gz DUZZXFHIYODRES-UHFFFAOYSA-N -1 1 279.698 3.366 20 0 CGADMM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000340329857 377005274 /nfs/dbraw/zinc/00/52/74/377005274.db2.gz SKPKJIMWQRLZJC-NXEZZACHSA-N -1 1 251.301 3.296 20 0 CGADMM O=C(Cc1cccc(Cl)c1)Nc1ccc(F)cc1[O-] ZINC000340331300 377007431 /nfs/dbraw/zinc/00/74/31/377007431.db2.gz SYIIISISJGXFOW-UHFFFAOYSA-N -1 1 279.698 3.366 20 0 CGADMM CC[C@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])CCS1 ZINC000563280664 377434205 /nfs/dbraw/zinc/43/42/05/377434205.db2.gz ZIQIZKCWUCHBRV-JTQLQIEISA-N -1 1 299.823 3.366 20 0 CGADMM O=C(Nc1ccc(-c2cnco2)cc1)c1ccccc1[O-] ZINC000094019230 249039239 /nfs/dbraw/zinc/03/92/39/249039239.db2.gz ZBSKSNBUILIVAE-UHFFFAOYSA-N -1 1 280.283 3.300 20 0 CGADMM O=C(NCCC1Cc2ccccc2C1)c1ccc([O-])cc1F ZINC000275085749 249065993 /nfs/dbraw/zinc/06/59/93/249065993.db2.gz GOEPWDINYOTLPU-UHFFFAOYSA-N -1 1 299.345 3.066 20 0 CGADMM CC(C)(C)[C@H]1C[C@H](NCc2c(F)ccc(O)c2F)CCO1 ZINC000293739670 249073367 /nfs/dbraw/zinc/07/33/67/249073367.db2.gz XAJUAPZUFQNBQY-QMTHXVAHSA-N -1 1 299.361 3.354 20 0 CGADMM C[C@@H]1C[C@H](CSc2nc(C(F)F)cc(=O)[n-]2)CCO1 ZINC000514893806 249193554 /nfs/dbraw/zinc/19/35/54/249193554.db2.gz RSPNNZHZOSJXNG-HTQZYQBOSA-N -1 1 290.335 3.027 20 0 CGADMM O=C([N-][C@H]1CCC[C@@H]1Cc1ccccc1)C(F)(F)F ZINC000265678391 190199414 /nfs/dbraw/zinc/19/94/14/190199414.db2.gz IVMMCFOXRBHSNW-NEPJUHHUSA-N -1 1 271.282 3.076 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000252972372 377671331 /nfs/dbraw/zinc/67/13/31/377671331.db2.gz ZIAFFKNVZPSTOO-HOMQSWHASA-N -1 1 267.756 3.354 20 0 CGADMM CC[C@H](CC(F)(F)F)N=c1nc(C(F)(F)F)[n-]s1 ZINC000342831138 377825108 /nfs/dbraw/zinc/82/51/08/377825108.db2.gz LPWLOUXFUVOJGZ-SCSAIBSYSA-N -1 1 293.236 3.122 20 0 CGADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1cccc(Cl)c1F ZINC000263067296 377916392 /nfs/dbraw/zinc/91/63/92/377916392.db2.gz OLAUUUFSTTZYCB-MWLCHTKSSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1cc(F)c(CN2CCC(C(=O)[O-])CC2)c(Cl)c1 ZINC000263446029 377937315 /nfs/dbraw/zinc/93/73/15/377937315.db2.gz XWVSEMAVVAOVKO-UHFFFAOYSA-N -1 1 285.746 3.084 20 0 CGADMM C[C@H](CN(C)Cc1csc(Cl)c1Cl)C(=O)[O-] ZINC000263452326 377939256 /nfs/dbraw/zinc/93/92/56/377939256.db2.gz AFTWUHGMIZVUIO-ZCFIWIBFSA-N -1 1 282.192 3.207 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Cl)ccc1F ZINC000263506366 377942861 /nfs/dbraw/zinc/94/28/61/377942861.db2.gz MDKSAKUIAZQONV-ZJUUUORDSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)F)c1 ZINC000272450179 378639982 /nfs/dbraw/zinc/63/99/82/378639982.db2.gz JKKQLIFKKJDHCL-UHFFFAOYSA-N -1 1 290.132 3.150 20 0 CGADMM Cc1nc(CCSc2nc(C3CC3)cc(=O)[n-]2)cs1 ZINC000277467790 379166524 /nfs/dbraw/zinc/16/65/24/379166524.db2.gz AKAOXLGNRMWXOH-UHFFFAOYSA-N -1 1 293.417 3.159 20 0 CGADMM [O-]c1ccc(-c2noc(CC[C@@H]3CCOC3)n2)c(Cl)c1 ZINC000278299554 379341712 /nfs/dbraw/zinc/34/17/12/379341712.db2.gz XMPHISDYFHLXFE-SECBINFHSA-N -1 1 294.738 3.065 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2cncc([O-])c2)c2ccccc21 ZINC000278114669 379295169 /nfs/dbraw/zinc/29/51/69/379295169.db2.gz AIYQCNSNKBOLBY-HNNXBMFYSA-N -1 1 282.343 3.187 20 0 CGADMM CC(C)(C)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278148827 379302920 /nfs/dbraw/zinc/30/29/20/379302920.db2.gz LXJNJWHWPUNDGU-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccc(Cl)o3)n2)c(F)c1 ZINC000350809822 379587272 /nfs/dbraw/zinc/58/72/72/379587272.db2.gz BKCDTEPSMWZVCZ-UHFFFAOYSA-N -1 1 280.642 3.495 20 0 CGADMM Cc1ncsc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000350821114 379589228 /nfs/dbraw/zinc/58/92/28/379589228.db2.gz XVLHBKCXXBAWQF-UHFFFAOYSA-N -1 1 277.280 3.013 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C/[C@@H]3CCOC3)n2)c(Cl)c1 ZINC000351097274 379642743 /nfs/dbraw/zinc/64/27/43/379642743.db2.gz QLKDVCBQOHHDMX-CITMHJQUSA-N -1 1 292.722 3.145 20 0 CGADMM CC1=C(C)CN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000280228525 379648275 /nfs/dbraw/zinc/64/82/75/379648275.db2.gz MACGEVJDQNHCKB-UHFFFAOYSA-N -1 1 265.740 3.228 20 0 CGADMM CCC[C@@H](OC)c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000351128292 379654600 /nfs/dbraw/zinc/65/46/00/379654600.db2.gz DBHWFVJBHZFIQI-GFCCVEGCSA-N -1 1 288.307 3.207 20 0 CGADMM C[C@@H](CC(F)F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000351217050 379681261 /nfs/dbraw/zinc/68/12/61/379681261.db2.gz JLCOOGWDPIJFLN-LURJTMIESA-N -1 1 272.226 3.340 20 0 CGADMM C[C@@H]1CC[N@H+](Cc2c(F)ccc(O)c2F)C[C@@H]1C ZINC000351618901 379731076 /nfs/dbraw/zinc/73/10/76/379731076.db2.gz CCLUESWEVSACQL-ZJUUUORDSA-N -1 1 255.308 3.148 20 0 CGADMM C[C@@H]1CC[C@H](C)N1C(=O)N=c1[n-]sc2ccccc21 ZINC000640344043 379770538 /nfs/dbraw/zinc/77/05/38/379770538.db2.gz ZFUGBWCLASVSSW-AOOOYVTPSA-N -1 1 275.377 3.123 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C(C)(C)C1 ZINC000380371552 379863201 /nfs/dbraw/zinc/86/32/01/379863201.db2.gz DIUJYKGNBGNJLO-SECBINFHSA-N -1 1 267.756 3.306 20 0 CGADMM CO[C@@H]([C@H](C)NC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000388315564 379885632 /nfs/dbraw/zinc/88/56/32/379885632.db2.gz UVTXKQRODPAZKD-GTNSWQLSSA-N -1 1 299.370 3.089 20 0 CGADMM CC[C@H](CN=c1nc([C@H](C)OC)[n-]s1)CC(F)(F)F ZINC000402696720 379972060 /nfs/dbraw/zinc/97/20/60/379972060.db2.gz QVMCAWGLRMVFMK-YUMQZZPRSA-N -1 1 297.346 3.058 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1C2CCC1CC2 ZINC000398891835 379932509 /nfs/dbraw/zinc/93/25/09/379932509.db2.gz ZNAILKRNCHVNDR-UHFFFAOYSA-N -1 1 267.328 3.312 20 0 CGADMM CC(C)N(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000282546082 379941747 /nfs/dbraw/zinc/94/17/47/379941747.db2.gz WPQKPBMSWTVVLY-UHFFFAOYSA-N -1 1 278.739 3.074 20 0 CGADMM C[C@@H]1CCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000284826115 380143419 /nfs/dbraw/zinc/14/34/19/380143419.db2.gz AVWBDQAMCCUNOL-SECBINFHSA-N -1 1 293.750 3.136 20 0 CGADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)[C@@H](C)[C@H](C)O1 ZINC000353101244 380116138 /nfs/dbraw/zinc/11/61/38/380116138.db2.gz XBFBIZZMMTUVSU-VWYCJHECSA-N -1 1 269.772 3.043 20 0 CGADMM C/C=C/C[C@H](NCc1cccc([O-])c1Cl)C(=O)OCC ZINC000353201075 380166221 /nfs/dbraw/zinc/16/62/21/380166221.db2.gz DZVIPJGSLUCVGA-PYEVWLCESA-N -1 1 297.782 3.033 20 0 CGADMM CCOc1c(Cl)cccc1CN1CCC[C@@H](C(=O)[O-])C1 ZINC000414683014 380371310 /nfs/dbraw/zinc/37/13/10/380371310.db2.gz OQPNQYCBVVIEDO-GFCCVEGCSA-N -1 1 297.782 3.035 20 0 CGADMM CCc1cc(C(=O)Nc2c([O-])cccc2F)ccc1O ZINC000644046417 380410622 /nfs/dbraw/zinc/41/06/22/380410622.db2.gz PFVWKFXUNUKYPZ-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc[nH]c1C1CCC1 ZINC000644046386 380411028 /nfs/dbraw/zinc/41/10/28/380411028.db2.gz BRWWRYBBNMMIGR-UHFFFAOYSA-N -1 1 274.295 3.379 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)C[C@H]3C=CCC3)[nH][n-]2)s1 ZINC000354785794 380555287 /nfs/dbraw/zinc/55/52/87/380555287.db2.gz DQVDZOVAQRSUQP-NSHDSACASA-N -1 1 287.388 3.163 20 0 CGADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000356663012 380814440 /nfs/dbraw/zinc/81/44/40/380814440.db2.gz BYXGPAWHSVNKOZ-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@H]2c2cccs2)c([O-])c1 ZINC000334844630 207173889 /nfs/dbraw/zinc/17/38/89/207173889.db2.gz DKMMNISRGFWCHE-NSHDSACASA-N -1 1 288.372 3.134 20 0 CGADMM Cc1cc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)c(C)o1 ZINC000335151296 207784388 /nfs/dbraw/zinc/78/43/88/207784388.db2.gz OJIVTIKQUDKOFM-MRVPVSSYSA-N -1 1 295.285 3.371 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCC(F)(F)C1 ZINC000335213712 207936764 /nfs/dbraw/zinc/93/67/64/207936764.db2.gz ARZVJVHVGNYLHN-ZETCQYMHSA-N -1 1 291.244 3.434 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CCCS3)n2)c(F)c1 ZINC000335248132 208023540 /nfs/dbraw/zinc/02/35/40/208023540.db2.gz DUHNPHFAXIWMLT-JTQLQIEISA-N -1 1 266.297 3.149 20 0 CGADMM COCCCO[N-]C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000288019775 196988316 /nfs/dbraw/zinc/98/83/16/196988316.db2.gz HGANONURHBUUDT-ZDUSSCGKSA-N -1 1 287.359 3.028 20 0 CGADMM CC1(C)C[C@H](c2noc(-c3cc(F)ccc3[O-])n2)CCO1 ZINC000351198319 542543762 /nfs/dbraw/zinc/54/37/62/542543762.db2.gz WXBPHGUOVDFLSY-SECBINFHSA-N -1 1 292.310 3.254 20 0 CGADMM CO[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@@H](C)C1 ZINC000281674793 195331867 /nfs/dbraw/zinc/33/18/67/195331867.db2.gz DWXDHPDLSIEGLX-JSGCOSHPSA-N -1 1 299.370 3.185 20 0 CGADMM COc1c(Cl)cccc1NC(=O)c1ccc(O)cc1[O-] ZINC000436710665 533426053 /nfs/dbraw/zinc/42/60/53/533426053.db2.gz XFMQNSCLSGZPAR-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM CCOc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000048442483 392000119 /nfs/dbraw/zinc/00/01/19/392000119.db2.gz XZRKSFKBRIZJGU-UHFFFAOYSA-N -1 1 257.289 3.043 20 0 CGADMM CC(C)(C)c1nnc([N-]C(=O)c2c(F)cccc2F)s1 ZINC000048818682 392017504 /nfs/dbraw/zinc/01/75/04/392017504.db2.gz ZLPTVWYUXUBGCF-UHFFFAOYSA-N -1 1 297.330 3.366 20 0 CGADMM Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000048652188 392007339 /nfs/dbraw/zinc/00/73/39/392007339.db2.gz YDHYLXAYIPAFSK-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM Cc1csc([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000070939459 392186100 /nfs/dbraw/zinc/18/61/00/392186100.db2.gz UBUWWYUSDSQWGC-MRVPVSSYSA-N -1 1 296.779 3.302 20 0 CGADMM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ncccc1[O-] ZINC000153762428 392528717 /nfs/dbraw/zinc/52/87/17/392528717.db2.gz ZLQBZSNGNSZUFR-CYBMUJFWSA-N -1 1 284.359 3.228 20 0 CGADMM CCC[C@](C)(CC)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505756266 392693639 /nfs/dbraw/zinc/69/36/39/392693639.db2.gz ZPTUTJIZSWBDQV-INIZCTEOSA-N -1 1 293.363 3.334 20 0 CGADMM CCC[C@@](C)(CC)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505756267 392693929 /nfs/dbraw/zinc/69/39/29/392693929.db2.gz ZPTUTJIZSWBDQV-MRXNPFEDSA-N -1 1 293.363 3.334 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(c2cccc(C)c2)CCCC1 ZINC000647815538 392809169 /nfs/dbraw/zinc/80/91/69/392809169.db2.gz ANKGXXSPVXMCHH-UHFFFAOYSA-N -1 1 299.374 3.183 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC000416285677 393292699 /nfs/dbraw/zinc/29/26/99/393292699.db2.gz HTTCUDCQIHHBBG-STQMWFEESA-N -1 1 290.407 3.382 20 0 CGADMM CN(C(=O)c1cncc([O-])c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416299191 393296849 /nfs/dbraw/zinc/29/68/49/393296849.db2.gz ZYNUKVHEGZTJFN-ZIAGYGMSSA-N -1 1 276.380 3.074 20 0 CGADMM Cc1cc(NCCCCCC(=O)[O-])c2cc(F)ccc2n1 ZINC000416426369 393311511 /nfs/dbraw/zinc/31/15/11/393311511.db2.gz IWOAGNZPHAMGDY-UHFFFAOYSA-N -1 1 290.338 3.161 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C(C)C)c(Cl)c1 ZINC000646409564 393279934 /nfs/dbraw/zinc/27/99/34/393279934.db2.gz MIWLKFZNHOJNTF-UHFFFAOYSA-N -1 1 293.754 3.453 20 0 CGADMM CC(C)c1cc(-c2nc(-c3ccc([O-])cc3F)no2)no1 ZINC000445458081 393796522 /nfs/dbraw/zinc/79/65/22/393796522.db2.gz QPDODSKKVGRESI-UHFFFAOYSA-N -1 1 289.266 3.360 20 0 CGADMM CCC(CC)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445471386 393797377 /nfs/dbraw/zinc/79/73/77/393797377.db2.gz MTEXUHHTISLZIJ-UHFFFAOYSA-N -1 1 250.273 3.485 20 0 CGADMM C[C@@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)c1cccnc1 ZINC000445476369 393798523 /nfs/dbraw/zinc/79/85/23/393798523.db2.gz BQMYHWRWRVDNHD-JTQLQIEISA-N -1 1 299.305 3.323 20 0 CGADMM CCC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCC1 ZINC000445478458 393799108 /nfs/dbraw/zinc/79/91/08/393799108.db2.gz HDSIPEJUANTEDY-UHFFFAOYSA-N -1 1 262.284 3.413 20 0 CGADMM CCSCCCc1noc(-c2ccc([O-])cc2F)n1 ZINC000445762643 393821525 /nfs/dbraw/zinc/82/15/25/393821525.db2.gz ZPBBKSAVTQWGAB-UHFFFAOYSA-N -1 1 282.340 3.267 20 0 CGADMM CCC(=O)c1ccc(-c2nc3ccc(C)cc3c(=O)[n-]2)cc1 ZINC000446143237 393850811 /nfs/dbraw/zinc/85/08/11/393850811.db2.gz CXKLQVOSYMIFRO-UHFFFAOYSA-N -1 1 292.338 3.491 20 0 CGADMM CC[C@H](C)[C@H](CN=c1[n-]c(C(F)(F)F)cs1)OC ZINC000450614149 394031413 /nfs/dbraw/zinc/03/14/13/394031413.db2.gz ANXKOLSHBXFIGL-YUMQZZPRSA-N -1 1 282.331 3.057 20 0 CGADMM CCc1ccc(C(=O)Nc2c([O-])cccc2F)s1 ZINC000743415518 572658275 /nfs/dbraw/zinc/65/82/75/572658275.db2.gz DVGLLFWQJMMPNO-UHFFFAOYSA-N -1 1 265.309 3.408 20 0 CGADMM Cc1nc(C(=O)[N-]c2c(F)cc(Cl)cc2F)co1 ZINC000670372109 543151664 /nfs/dbraw/zinc/15/16/64/543151664.db2.gz AOSCVAHDSXVTNR-UHFFFAOYSA-N -1 1 272.638 3.167 20 0 CGADMM O=C(Nc1cccc(O)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000670411712 543152856 /nfs/dbraw/zinc/15/28/56/543152856.db2.gz MYVWFUHJNVPBHM-UHFFFAOYSA-N -1 1 297.232 3.369 20 0 CGADMM CC1(CS(=O)(=O)[N-][C@H]2CCCC2(F)F)CCCCC1 ZINC000672428945 543211550 /nfs/dbraw/zinc/21/15/50/543211550.db2.gz ABVQQLPLKYADQP-NSHDSACASA-N -1 1 295.395 3.064 20 0 CGADMM Cc1cscc1C(=O)Nc1c([O-])cccc1F ZINC000674137471 543273691 /nfs/dbraw/zinc/27/36/91/543273691.db2.gz WUGGFFFTZZXKEO-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM CCC(CC)(OC)c1noc(-c2ccc([O-])cc2F)n1 ZINC000232390411 397668179 /nfs/dbraw/zinc/66/81/79/397668179.db2.gz KMMFXZBIEFTEAA-UHFFFAOYSA-N -1 1 280.299 3.243 20 0 CGADMM CC[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccccc2)o1 ZINC000650808152 397928637 /nfs/dbraw/zinc/92/86/37/397928637.db2.gz RWFHXPPYRHBLNP-CQSZACIVSA-N -1 1 273.332 3.242 20 0 CGADMM C[C@H](CC(=O)Nc1c([O-])cccc1F)c1ccncc1 ZINC000674903289 543304075 /nfs/dbraw/zinc/30/40/75/543304075.db2.gz VNHZFSJDOMWKOP-SNVBAGLBSA-N -1 1 274.295 3.059 20 0 CGADMM CC(C)(C)n1cc(-c2nc3cccc(F)c3c(=O)[n-]2)cn1 ZINC000676721887 543413324 /nfs/dbraw/zinc/41/33/24/543413324.db2.gz OEEZAEBMWUTFPU-UHFFFAOYSA-N -1 1 286.310 3.093 20 0 CGADMM CC[C@H](Nc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000678374525 543518963 /nfs/dbraw/zinc/51/89/63/543518963.db2.gz PNEAUMVPYKFEQK-ZDUSSCGKSA-N -1 1 288.322 3.361 20 0 CGADMM Cc1ccncc1[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000678414183 543522630 /nfs/dbraw/zinc/52/26/30/543522630.db2.gz BGYLWWZSLVUIGU-SNVBAGLBSA-N -1 1 290.750 3.240 20 0 CGADMM CSCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000069455964 286984159 /nfs/dbraw/zinc/98/41/59/286984159.db2.gz BVMADBBHEBAZLM-UHFFFAOYSA-N -1 1 275.373 3.028 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1F ZINC000080716550 287068036 /nfs/dbraw/zinc/06/80/36/287068036.db2.gz YNKMHFGDHYZRHE-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=C(CCc1ccco1)Nc1ccc([O-])c(Cl)c1 ZINC000082194502 287078046 /nfs/dbraw/zinc/07/80/46/287078046.db2.gz QCLROIPFMVQPQE-UHFFFAOYSA-N -1 1 265.696 3.210 20 0 CGADMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084937056 287081479 /nfs/dbraw/zinc/08/14/79/287081479.db2.gz MQJLBSYAUBGCJV-QWRGUYRKSA-N -1 1 281.377 3.146 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1COc2ccccc21 ZINC000078642557 165135698 /nfs/dbraw/zinc/13/56/98/165135698.db2.gz FLEJGQDNLGWKAH-NSHDSACASA-N -1 1 289.718 3.160 20 0 CGADMM CC1(C)CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000091438897 165264059 /nfs/dbraw/zinc/26/40/59/165264059.db2.gz PIMALTAWXZPCCE-UHFFFAOYSA-N -1 1 269.344 3.418 20 0 CGADMM C[C@H]1CC(NC(=O)c2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000120441996 287182349 /nfs/dbraw/zinc/18/23/49/287182349.db2.gz XNZNUQNKFBNJER-RYUDHWBXSA-N -1 1 299.370 3.231 20 0 CGADMM CC(C)(C)c1ccc(-c2ccc(CNCC(=O)[O-])o2)cc1 ZINC000284210711 196003976 /nfs/dbraw/zinc/00/39/76/196003976.db2.gz LWUUWXPSTCGXDE-UHFFFAOYSA-N -1 1 287.359 3.418 20 0 CGADMM CC(C)(C)Oc1ccccc1NC(=O)c1cncc([O-])c1 ZINC000284220725 196006467 /nfs/dbraw/zinc/00/64/67/196006467.db2.gz DIBRKKVXEXWPCP-UHFFFAOYSA-N -1 1 286.331 3.217 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCCc2ccccc2C1 ZINC000124058895 287228813 /nfs/dbraw/zinc/22/88/13/287228813.db2.gz INMJCVLWVBDVOQ-UHFFFAOYSA-N -1 1 285.318 3.120 20 0 CGADMM O=C(NCCc1ccccc1F)c1ccc(Cl)cc1[O-] ZINC000020551935 171247622 /nfs/dbraw/zinc/24/76/22/171247622.db2.gz QOOZVVVPUFPECQ-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM Cc1cccc(CC(=O)Nc2c([O-])cccc2F)c1 ZINC000078806967 177391241 /nfs/dbraw/zinc/39/12/41/177391241.db2.gz ORADWMUZRLVWEJ-UHFFFAOYSA-N -1 1 259.280 3.021 20 0 CGADMM COCc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000129624029 287336149 /nfs/dbraw/zinc/33/61/49/287336149.db2.gz ZVFYIHHDOZISEH-UHFFFAOYSA-N -1 1 281.695 3.037 20 0 CGADMM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccccc2[O-])c1 ZINC000129722000 287338197 /nfs/dbraw/zinc/33/81/97/287338197.db2.gz GYCLLCITFLSCQA-UHFFFAOYSA-N -1 1 298.342 3.301 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000681015017 543756484 /nfs/dbraw/zinc/75/64/84/543756484.db2.gz WTDODJBCLPYYFG-HNNXBMFYSA-N -1 1 299.345 3.379 20 0 CGADMM C[C@@H](CNC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000681016242 543756520 /nfs/dbraw/zinc/75/65/20/543756520.db2.gz KDJQUZGGSJRYEQ-NSHDSACASA-N -1 1 273.307 3.065 20 0 CGADMM O=C(NCc1ccc(Cl)s1)c1ccc([O-])c(F)c1 ZINC000681017065 543757262 /nfs/dbraw/zinc/75/72/62/543757262.db2.gz FAZKGIPVGLWZMH-UHFFFAOYSA-N -1 1 285.727 3.176 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc([O-])c(F)c2)o1 ZINC000681017764 543757266 /nfs/dbraw/zinc/75/72/66/543757266.db2.gz AWMUGOIHJJOCEN-CABZTGNLSA-N -1 1 289.306 3.178 20 0 CGADMM C[C@H]1Cc2ccccc2N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681041505 543759787 /nfs/dbraw/zinc/75/97/87/543759787.db2.gz LSBUUPAGHMGADL-NSHDSACASA-N -1 1 285.318 3.370 20 0 CGADMM C[C@@H]1CCC[C@@H](CCNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681047171 543760667 /nfs/dbraw/zinc/76/06/67/543760667.db2.gz JIMGFVASPJIIKH-NEPJUHHUSA-N -1 1 279.355 3.478 20 0 CGADMM CCc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1F ZINC000681058307 543762156 /nfs/dbraw/zinc/76/21/56/543762156.db2.gz LKIVBQQIFCOJBT-UHFFFAOYSA-N -1 1 277.270 3.485 20 0 CGADMM Cc1nc2c(cccc2C(=O)Nc2c([O-])cccc2F)o1 ZINC000684293286 543979688 /nfs/dbraw/zinc/97/96/88/543979688.db2.gz JPDDAKSAOYDJOK-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@@H]1CCC(C)(C)C1 ZINC000684513629 544010077 /nfs/dbraw/zinc/01/00/77/544010077.db2.gz QZZZUHSRYSUZFS-LLVKDONJSA-N -1 1 265.328 3.182 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cccc2c1CCC2 ZINC000684976818 544048256 /nfs/dbraw/zinc/04/82/56/544048256.db2.gz GRTNMOFHBLDGGE-UHFFFAOYSA-N -1 1 271.291 3.272 20 0 CGADMM O=c1cc(C(F)F)nc(SC2Cc3ccccc3C2)[n-]1 ZINC000685575233 544086410 /nfs/dbraw/zinc/08/64/10/544086410.db2.gz RODBNZFMJOXUCO-UHFFFAOYSA-N -1 1 294.326 3.379 20 0 CGADMM O=c1cc(C(F)F)nc(S[C@H]2CCCCCC2=O)[n-]1 ZINC000685575014 544085876 /nfs/dbraw/zinc/08/58/76/544085876.db2.gz YRNAVVHOMUIEPG-VIFPVBQESA-N -1 1 288.319 3.114 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N(Cc1cccs1)C1CC1 ZINC000132870779 287412452 /nfs/dbraw/zinc/41/24/52/287412452.db2.gz PIDIRFRTFIJXHP-UHFFFAOYSA-N -1 1 291.347 3.398 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1C[C@H]1C1CCCC1 ZINC000652422167 418966790 /nfs/dbraw/zinc/96/67/90/418966790.db2.gz QCUKXPKPSGRCEU-VHSXEESVSA-N -1 1 281.302 3.435 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])c(F)c1)C1CCCC1 ZINC000654218499 418943759 /nfs/dbraw/zinc/94/37/59/418943759.db2.gz JGDYMCNEOYTDJP-CYBMUJFWSA-N -1 1 265.328 3.230 20 0 CGADMM CC(C)(C)O[C@@H]1C[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000664849334 419013945 /nfs/dbraw/zinc/01/39/45/419013945.db2.gz HEKCFGJGMUOJOW-ZYHUDNBSSA-N -1 1 292.310 3.252 20 0 CGADMM CO[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CCC1 ZINC000664851462 419014250 /nfs/dbraw/zinc/01/42/50/419014250.db2.gz XDSQNYPBJKYCAF-GFCCVEGCSA-N -1 1 278.283 3.069 20 0 CGADMM O=C([O-])c1ccc2c(c1)CN(CCCc1cccc(F)c1)C2 ZINC000659790528 418992034 /nfs/dbraw/zinc/99/20/34/418992034.db2.gz GQRIDIBXXHIBGQ-UHFFFAOYSA-N -1 1 299.345 3.472 20 0 CGADMM C[C@@H](CC(C)(C)C)NC(=O)c1ccc([O-])c(F)c1 ZINC000654648753 418993069 /nfs/dbraw/zinc/99/30/69/418993069.db2.gz WMRLJXMCFAFFNE-VIFPVBQESA-N -1 1 253.317 3.086 20 0 CGADMM C[C@H]1CCCC[C@]1(C)NC(=O)c1ccc([O-])c(F)c1 ZINC000654671442 418995067 /nfs/dbraw/zinc/99/50/67/418995067.db2.gz VFXJXCBDMDTMQX-BONVTDFDSA-N -1 1 265.328 3.230 20 0 CGADMM CC[C@H](OC1CCCC1)C(=O)Nc1c([O-])cccc1F ZINC000665783950 419160340 /nfs/dbraw/zinc/16/03/40/419160340.db2.gz KAQQEGHNCBXCLP-ZDUSSCGKSA-N -1 1 281.327 3.208 20 0 CGADMM CSc1ccc([O-])c(-c2nc([C@@H]3C[C@@H]3C)no2)c1 ZINC000663307948 419546968 /nfs/dbraw/zinc/54/69/68/419546968.db2.gz ITBZGEGIRHNVDE-IONNQARKSA-N -1 1 262.334 3.288 20 0 CGADMM C[C@@H](CC1CC1)NC(=O)c1cc(Br)ccc1[O-] ZINC000226483219 263037504 /nfs/dbraw/zinc/03/75/04/263037504.db2.gz MHEWVCLQZNPYRS-QMMMGPOBSA-N -1 1 298.180 3.073 20 0 CGADMM O=C(NC(C1CC1)C1CC1)c1cc2ccccc2cc1[O-] ZINC000042336257 270032612 /nfs/dbraw/zinc/03/26/12/270032612.db2.gz BOWAXTCNFWIZTM-UHFFFAOYSA-N -1 1 281.355 3.464 20 0 CGADMM CC[C@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000044490845 270035580 /nfs/dbraw/zinc/03/55/80/270035580.db2.gz LIMWFOPYPRLWIV-JTQLQIEISA-N -1 1 298.180 3.169 20 0 CGADMM C[C@H](Oc1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000523729664 270110619 /nfs/dbraw/zinc/11/06/19/270110619.db2.gz GMPZPAZBLRQSJV-LBPRGKRZSA-N -1 1 291.372 3.198 20 0 CGADMM C[C@@H]1[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)[C@@H]1C1CC1 ZINC000528874155 270174971 /nfs/dbraw/zinc/17/49/71/270174971.db2.gz FVORLGHPKPDDSI-WCDAPOTHSA-N -1 1 265.740 3.276 20 0 CGADMM CC(C)c1cnc(SCC(=O)c2ccc([O-])cc2)n1C ZINC000530628758 270201398 /nfs/dbraw/zinc/20/13/98/270201398.db2.gz CDLJUORKOJOGQC-UHFFFAOYSA-N -1 1 290.388 3.224 20 0 CGADMM CC(C)=CCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000397739647 288028984 /nfs/dbraw/zinc/02/89/84/288028984.db2.gz VDLHUHIOYINSTP-UHFFFAOYSA-N -1 1 298.180 3.241 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000148885792 280199677 /nfs/dbraw/zinc/19/96/77/280199677.db2.gz FCJRSGCPNUAYDI-KBPBESRZSA-N -1 1 281.355 3.418 20 0 CGADMM C[C@@H]1CCC[C@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000530006384 288281985 /nfs/dbraw/zinc/28/19/85/288281985.db2.gz RSAWQAODCRVFRE-ZJUUUORDSA-N -1 1 251.301 3.296 20 0 CGADMM CC(C)(C(=O)Nc1cccc(F)c1[O-])C1CCC1 ZINC000530006875 288282013 /nfs/dbraw/zinc/28/20/13/288282013.db2.gz WCGTVNSMKKBUBX-UHFFFAOYSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@H](CN(C)Cc1nc(C(=O)[O-])cs1)C1CCCCC1 ZINC000530174161 288293182 /nfs/dbraw/zinc/29/31/82/288293182.db2.gz VQTZZCHYBPKQQV-LLVKDONJSA-N -1 1 296.436 3.490 20 0 CGADMM CC[C@H](N=c1[n-]c(C(F)(F)F)cs1)C1CCOCC1 ZINC000532883249 288372757 /nfs/dbraw/zinc/37/27/57/288372757.db2.gz QYHTVYIGNQINDR-VIFPVBQESA-N -1 1 294.342 3.201 20 0 CGADMM CCc1ccc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)o1 ZINC000417619477 288538850 /nfs/dbraw/zinc/53/88/50/288538850.db2.gz KRADBOMZGIAXMV-JKSUJKDBSA-N -1 1 285.343 3.245 20 0 CGADMM COC1(CCSc2nc(C3CC3)cc(=O)[n-]2)CCC1 ZINC000549390818 289042375 /nfs/dbraw/zinc/04/23/75/289042375.db2.gz GGZHUQICFKWXDZ-UHFFFAOYSA-N -1 1 280.393 3.111 20 0 CGADMM COc1ccc2c(c1)N(C(=O)c1ccccc1[O-])CCCC2 ZINC000436583710 295264777 /nfs/dbraw/zinc/26/47/77/295264777.db2.gz KSTWZWZKHQIRBB-UHFFFAOYSA-N -1 1 297.354 3.384 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccccc2[O-])c2c(O)cccc21 ZINC000186336811 327688337 /nfs/dbraw/zinc/68/83/37/327688337.db2.gz SFMSJMCYRLJPLZ-NSHDSACASA-N -1 1 283.327 3.252 20 0 CGADMM CC(C)(C)CCCNC(=O)c1c([O-])cccc1F ZINC000313470057 321959291 /nfs/dbraw/zinc/95/92/91/321959291.db2.gz HTZUKPLNQCNZCA-UHFFFAOYSA-N -1 1 253.317 3.087 20 0 CGADMM O=C([O-])c1ccc(CN2CCc3ccsc3C2)cc1F ZINC000563633813 322005286 /nfs/dbraw/zinc/00/52/86/322005286.db2.gz AYJPJZLGXDNNDB-UHFFFAOYSA-N -1 1 291.347 3.144 20 0 CGADMM O=C(N[C@H]1CCC[C@H](F)C1)c1cc(Cl)ccc1[O-] ZINC000565002408 322053911 /nfs/dbraw/zinc/05/39/11/322053911.db2.gz AXHAEJGKIWHHKP-UWVGGRQHSA-N -1 1 271.719 3.056 20 0 CGADMM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000568059096 322189904 /nfs/dbraw/zinc/18/99/04/322189904.db2.gz UKZDYXVBBIIIKW-BDJLRTHQSA-N -1 1 294.395 3.220 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000570248783 322268869 /nfs/dbraw/zinc/26/88/69/322268869.db2.gz QUBYSCKJWIWODI-NXEZZACHSA-N -1 1 283.318 3.369 20 0 CGADMM Cc1cc(CN(Cc2ccco2)C(C)C)oc1C(=O)[O-] ZINC000570456862 322273887 /nfs/dbraw/zinc/27/38/87/322273887.db2.gz OMTGHNDIFSQVST-UHFFFAOYSA-N -1 1 277.320 3.290 20 0 CGADMM C[C@@H]1SCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1C ZINC000571053436 322288809 /nfs/dbraw/zinc/28/88/09/322288809.db2.gz KXGCYAXDINBSGO-UWVGGRQHSA-N -1 1 299.823 3.364 20 0 CGADMM C[C@H]1SCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1C ZINC000571053437 322288833 /nfs/dbraw/zinc/28/88/33/322288833.db2.gz KXGCYAXDINBSGO-VHSXEESVSA-N -1 1 299.823 3.364 20 0 CGADMM CC[C@@H]1CN([C@H](C)c2cc(C(=O)[O-])c(C)o2)CCS1 ZINC000572774124 322354229 /nfs/dbraw/zinc/35/42/29/322354229.db2.gz URWJOTDXYHOYAG-MWLCHTKSSA-N -1 1 283.393 3.175 20 0 CGADMM COc1cccc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])c1 ZINC000436756014 533708145 /nfs/dbraw/zinc/70/81/45/533708145.db2.gz PGZKUJXKBWFZMY-SNVBAGLBSA-N -1 1 289.306 3.031 20 0 CGADMM CCOC(=O)c1cnc(C(C)=Cc2cccc(C)c2)[n-]c1=O ZINC000347443216 335379114 /nfs/dbraw/zinc/37/91/14/335379114.db2.gz MNEMTSOEOQNNFL-XFXZXTDPSA-N -1 1 298.342 3.228 20 0 CGADMM C[C@H]1CC(c2nc(-c3ccc([O-])c(F)c3)no2)C[C@H](C)O1 ZINC000350830103 335538144 /nfs/dbraw/zinc/53/81/44/335538144.db2.gz CLAZPMFAMKWNES-IUCAKERBSA-N -1 1 292.310 3.252 20 0 CGADMM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000436956525 534083988 /nfs/dbraw/zinc/08/39/88/534083988.db2.gz MYMPKUYHJBZVOT-QLJPJBMISA-N -1 1 285.318 3.195 20 0 CGADMM Cc1cc2cc(CNC(=O)c3ccc([O-])cc3F)ccc2[nH]1 ZINC000436712841 534090148 /nfs/dbraw/zinc/09/01/48/534090148.db2.gz HUKWIRUJKSYWAU-UHFFFAOYSA-N -1 1 298.317 3.251 20 0 CGADMM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000339923169 519686910 /nfs/dbraw/zinc/68/69/10/519686910.db2.gz KZRVGXGDGXRGAJ-SWLSCSKDSA-N -1 1 276.380 3.122 20 0 CGADMM [O-]c1ccc(-c2noc(-c3sccc3F)n2)cc1F ZINC000436522041 534452335 /nfs/dbraw/zinc/45/23/35/534452335.db2.gz QLKZEADSNURTRD-UHFFFAOYSA-N -1 1 280.255 3.449 20 0 CGADMM O=C([O-])[C@@H](NCc1cc(F)cc(F)c1)c1cccc(F)c1 ZINC000426819309 534515733 /nfs/dbraw/zinc/51/57/33/534515733.db2.gz HUBGFXPTNKNROD-AWEZNQCLSA-N -1 1 295.260 3.019 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1Cc2cccc(Cl)c2C1 ZINC000436746623 534667377 /nfs/dbraw/zinc/66/73/77/534667377.db2.gz ZBQCOXPUDBFIMB-UHFFFAOYSA-N -1 1 291.709 3.341 20 0 CGADMM C=Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000436479205 526279351 /nfs/dbraw/zinc/27/93/51/526279351.db2.gz PQLNJILBHCYQKS-UHFFFAOYSA-N -1 1 295.310 3.409 20 0 CGADMM O=C(N[C@@H]1CC12CCCCC2)c1c(F)ccc([O-])c1F ZINC000289545564 526880411 /nfs/dbraw/zinc/88/04/11/526880411.db2.gz XCZWWUOITSEQAH-LLVKDONJSA-N -1 1 281.302 3.123 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cccc(O)c2)c([O-])c1 ZINC000436756043 528079213 /nfs/dbraw/zinc/07/92/13/528079213.db2.gz PRHBSBYZUKXIIP-UHFFFAOYSA-N -1 1 271.316 3.474 20 0 CGADMM CCOc1cc(-c2nc3cccc(C)c3c(=O)[n-]2)ccc1O ZINC000436593741 528187746 /nfs/dbraw/zinc/18/77/46/528187746.db2.gz DMHJRMTXGLQGGK-UHFFFAOYSA-N -1 1 296.326 3.415 20 0 CGADMM CCS[C@H]1CCC[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000436572171 529230935 /nfs/dbraw/zinc/23/09/35/529230935.db2.gz FQMXZJILKXUTPT-RYUDHWBXSA-N -1 1 297.395 3.325 20 0 CGADMM CC[C@H](C)[C@H](OC)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436881602 529266417 /nfs/dbraw/zinc/26/64/17/529266417.db2.gz XMHXLMWSXYUOHK-UFBFGSQYSA-N -1 1 280.299 3.315 20 0 CGADMM CC[C@H]1C[C@]1(NC(=O)c1cncc([O-])c1)c1cccc(C)c1 ZINC000355847843 529329602 /nfs/dbraw/zinc/32/96/02/529329602.db2.gz QGEZTMVSTZWLPZ-KBXCAEBGSA-N -1 1 296.370 3.151 20 0 CGADMM CCc1cccc(CNCc2ccc(C(=O)[O-])c(CC)n2)c1 ZINC000518542154 535886688 /nfs/dbraw/zinc/88/66/88/535886688.db2.gz LFXZKYODBOXVOD-UHFFFAOYSA-N -1 1 298.386 3.194 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H](C)[C@H]2CCC[C@@H](C)C2)s[n-]1 ZINC000450932356 536498932 /nfs/dbraw/zinc/49/89/32/536498932.db2.gz RFUMZMDQGPTKGS-KXNHARMFSA-N -1 1 283.441 3.294 20 0 CGADMM O=C(OCc1ccccn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000730358922 572345682 /nfs/dbraw/zinc/34/56/82/572345682.db2.gz DRRIYRFKCRRIOB-UHFFFAOYSA-N -1 1 298.125 3.451 20 0 CGADMM O=C(OCC(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000733488873 572581441 /nfs/dbraw/zinc/58/14/41/572581441.db2.gz AZBZWAMCXJGMIA-UHFFFAOYSA-N -1 1 271.046 3.121 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccs2)c1 ZINC000744485275 572757373 /nfs/dbraw/zinc/75/73/73/572757373.db2.gz VSEFNKFUMXOCLL-UHFFFAOYSA-N -1 1 290.340 3.056 20 0 CGADMM C/C(=C/CSc1nc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC000736121054 572769676 /nfs/dbraw/zinc/76/96/76/572769676.db2.gz IWVZHPGFYMUXBI-DAXSKMNVSA-N -1 1 282.752 3.339 20 0 CGADMM CC(C)(NCc1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000736339397 572782684 /nfs/dbraw/zinc/78/26/84/572782684.db2.gz IRSNABPPKIZAOF-UHFFFAOYSA-N -1 1 277.295 3.142 20 0 CGADMM O=S(=O)([N-]c1ccccc1)c1cccc2c1CCCC2 ZINC000748639827 572981733 /nfs/dbraw/zinc/98/17/33/572981733.db2.gz NYHVFTUTWHASER-UHFFFAOYSA-N -1 1 287.384 3.366 20 0 CGADMM CC(C)(C)CCOC(=O)c1c([O-])cc(F)cc1F ZINC000749283170 572991463 /nfs/dbraw/zinc/99/14/63/572991463.db2.gz RPBDCWGJEJNHKY-UHFFFAOYSA-N -1 1 258.264 3.263 20 0 CGADMM Cc1cnc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)s1 ZINC000750250154 573104945 /nfs/dbraw/zinc/10/49/45/573104945.db2.gz NGBUXIYQRJDQTK-MRVPVSSYSA-N -1 1 296.779 3.302 20 0 CGADMM CC[C@@H](NCc1cccc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000263446348 598203552 /nfs/dbraw/zinc/20/35/52/598203552.db2.gz YAEAUXAUKADSID-CYBMUJFWSA-N -1 1 290.388 3.391 20 0 CGADMM CCC[C@@H](CC)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821016567 599500895 /nfs/dbraw/zinc/50/08/95/599500895.db2.gz XOQXHXLVYCBRQB-LLVKDONJSA-N -1 1 296.378 3.406 20 0 CGADMM CCC[C@@H](CC)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821016567 599500898 /nfs/dbraw/zinc/50/08/98/599500898.db2.gz XOQXHXLVYCBRQB-LLVKDONJSA-N -1 1 296.378 3.406 20 0 CGADMM Cc1cc(CN2CC[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC000832883092 601169826 /nfs/dbraw/zinc/16/98/26/601169826.db2.gz RHKWBTUBULGRON-CQSZACIVSA-N -1 1 271.316 3.233 20 0 CGADMM CN(Cc1cccc(C#N)c1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000389739102 601617339 /nfs/dbraw/zinc/61/73/39/601617339.db2.gz LMFJNILSEMFRKF-UHFFFAOYSA-N -1 1 298.317 3.028 20 0 CGADMM O=C([O-])c1csc(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000833342818 602182517 /nfs/dbraw/zinc/18/25/17/602182517.db2.gz XRVDNEKNVRLIPO-UHFFFAOYSA-N -1 1 297.719 3.058 20 0 CGADMM O=C([O-])Nc1ccc(CNCc2cc3ccccc3o2)cn1 ZINC000832842216 603540048 /nfs/dbraw/zinc/54/00/48/603540048.db2.gz QXJVMOPXYAEIOP-UHFFFAOYSA-N -1 1 297.314 3.208 20 0 CGADMM Cc1ccc([C@H](C)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000071396036 604331984 /nfs/dbraw/zinc/33/19/84/604331984.db2.gz GOQDLGMHHABWIY-NSHDSACASA-N -1 1 259.305 3.137 20 0 CGADMM C[C@@H](c1ccco1)N(C)Cc1ccccc1CC(=O)[O-] ZINC000706347099 605063540 /nfs/dbraw/zinc/06/35/40/605063540.db2.gz CZBOVOXQRUOKNA-LBPRGKRZSA-N -1 1 273.332 3.100 20 0 CGADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccoc1C(=O)[O-] ZINC000833605211 605701034 /nfs/dbraw/zinc/70/10/34/605701034.db2.gz ILSSEAXVRGLIQG-SCZZXKLOSA-N -1 1 291.269 3.141 20 0 CGADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1occc1C(=O)[O-] ZINC000833606809 605704143 /nfs/dbraw/zinc/70/41/43/605704143.db2.gz WGFIMAFNUDVRMJ-RKDXNWHRSA-N -1 1 291.269 3.141 20 0 CGADMM CC(C)[C@H]1CN(Cc2cc(C(=O)[O-])ccc2F)CCS1 ZINC000707314170 605834391 /nfs/dbraw/zinc/83/43/91/605834391.db2.gz OMYTWYICMSYOSR-CQSZACIVSA-N -1 1 297.395 3.097 20 0 CGADMM CC[C@@H](C)CSc1cccc(F)c1-c1nn[n-]n1 ZINC000820870256 606798936 /nfs/dbraw/zinc/79/89/36/606798936.db2.gz PVGYCJXCRVVADP-MRVPVSSYSA-N -1 1 266.345 3.144 20 0 CGADMM CC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(OC)cc1 ZINC000175847926 617985920 /nfs/dbraw/zinc/98/59/20/617985920.db2.gz WLZGHPDSLFWGTA-JTQLQIEISA-N -1 1 293.260 3.163 20 0 CGADMM CN(Cc1cccc(O)c1)C(=O)c1c([O-])cccc1Cl ZINC000049092430 618058005 /nfs/dbraw/zinc/05/80/05/618058005.db2.gz OZBMUPAKAONUDU-UHFFFAOYSA-N -1 1 291.734 3.023 20 0 CGADMM C[C@@H](C(=O)[N-]OC1CCC1)c1ccc(Cl)cc1 ZINC000846239322 618079906 /nfs/dbraw/zinc/07/99/06/618079906.db2.gz WHTHNDWSVGRDIH-SECBINFHSA-N -1 1 253.729 3.044 20 0 CGADMM CCc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)o1 ZINC000087616181 618084589 /nfs/dbraw/zinc/08/45/89/618084589.db2.gz FLZTYGSOWVGLJL-MRXNPFEDSA-N -1 1 285.343 3.026 20 0 CGADMM Cc1nonc1[N-]C(=O)c1ccc(Oc2ccccc2)o1 ZINC000177592887 618831474 /nfs/dbraw/zinc/83/14/74/618831474.db2.gz NXHKHEIBKNPKNC-UHFFFAOYSA-N -1 1 285.259 3.016 20 0 CGADMM Cc1csc(SCC(=O)c2ccc([O-])cc2)n1 ZINC000007817209 618908535 /nfs/dbraw/zinc/90/85/35/618908535.db2.gz RNBDSFWMIKKIGF-UHFFFAOYSA-N -1 1 265.359 3.132 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c1 ZINC000180244737 619014086 /nfs/dbraw/zinc/01/40/86/619014086.db2.gz SPGPXKQGSVZPBQ-UHFFFAOYSA-N -1 1 296.779 3.098 20 0 CGADMM Cn1ncc([N-]c2nc3ccc(F)cc3o2)c1C1CC1 ZINC000893225399 619035511 /nfs/dbraw/zinc/03/55/11/619035511.db2.gz KADMDDPDBXYZLL-UHFFFAOYSA-N -1 1 272.283 3.321 20 0 CGADMM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1CC(C)C ZINC000007154854 619648927 /nfs/dbraw/zinc/64/89/27/619648927.db2.gz OBRMQCHBSJNCKN-SDQBBNPISA-N -1 1 278.377 3.085 20 0 CGADMM CN(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CCCC1 ZINC000895501882 619839498 /nfs/dbraw/zinc/83/94/98/619839498.db2.gz ZTFWMRWXBJLELB-UHFFFAOYSA-N -1 1 285.343 3.266 20 0 CGADMM C[C@H](COCC1CCCCC1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000895831997 619894295 /nfs/dbraw/zinc/89/42/95/619894295.db2.gz BXUUBIRWBYVYKU-SNVBAGLBSA-N -1 1 299.802 3.233 20 0 CGADMM Cc1cc(C)c(NNC(=O)c2cc(F)ccc2[O-])c(C)c1 ZINC000080032434 620379005 /nfs/dbraw/zinc/37/90/05/620379005.db2.gz UHEQAHRBFFFLDM-UHFFFAOYSA-N -1 1 288.322 3.213 20 0 CGADMM CC(C)[C@@H]1CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897907709 620449119 /nfs/dbraw/zinc/44/91/19/620449119.db2.gz AKHNBAVNIOYZLF-HNNXBMFYSA-N -1 1 285.343 3.122 20 0 CGADMM C[C@H](c1ccc(-c2ccccc2)cn1)N1CCC[C@@H]1C(=O)[O-] ZINC000901454384 620887579 /nfs/dbraw/zinc/88/75/79/620887579.db2.gz SKMWEUYZMOJUGY-CXAGYDPISA-N -1 1 296.370 3.359 20 0 CGADMM O=C([O-])[C@]1(F)CCN(Cc2cccc(CC3CCC3)c2)C1 ZINC000901515346 620923512 /nfs/dbraw/zinc/92/35/12/620923512.db2.gz BCPOHFLORKLACM-KRWDZBQOSA-N -1 1 291.366 3.028 20 0 CGADMM COCC[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901619650 620948263 /nfs/dbraw/zinc/94/82/63/620948263.db2.gz SJAXGPHXKCIELL-NSHDSACASA-N -1 1 290.388 3.366 20 0 CGADMM O=C([O-])c1cccc2c1CN(Cc1ccsc1)CC2 ZINC000901780407 621021524 /nfs/dbraw/zinc/02/15/24/621021524.db2.gz YJLARUATWXHCFO-UHFFFAOYSA-N -1 1 273.357 3.005 20 0 CGADMM Cc1cc(CNCc2cc(F)ccc2C)oc1C(=O)[O-] ZINC000901942643 621072681 /nfs/dbraw/zinc/07/26/81/621072681.db2.gz VLHZGXBQOJQNKQ-UHFFFAOYSA-N -1 1 277.295 3.024 20 0 CGADMM CSc1ccc(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])s1 ZINC000902018606 621104626 /nfs/dbraw/zinc/10/46/26/621104626.db2.gz VDSKJNWKFWMZFF-MWLCHTKSSA-N -1 1 285.434 3.155 20 0 CGADMM O=C([O-])c1cc(CN[C@@H]2CCCc3occc32)cs1 ZINC000902133177 621151694 /nfs/dbraw/zinc/15/16/94/621151694.db2.gz UKVKGSPKVWBUKF-LLVKDONJSA-N -1 1 277.345 3.207 20 0 CGADMM Cc1ccc2c(c1)[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)CC2 ZINC000902230707 621203702 /nfs/dbraw/zinc/20/37/02/621203702.db2.gz KNAKZAMGKRKBNX-KMDWOBIYSA-N -1 1 297.354 3.463 20 0 CGADMM CC1(C)CCN1Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902525695 621362731 /nfs/dbraw/zinc/36/27/31/621362731.db2.gz WIOHTRIGANIURF-UHFFFAOYSA-N -1 1 287.281 3.388 20 0 CGADMM Cc1ccc(F)c(CN2CCC[C@@H](CCC(=O)[O-])C2)c1F ZINC000903406024 621730160 /nfs/dbraw/zinc/73/01/60/621730160.db2.gz ZZXDGGGVKLQSKC-LBPRGKRZSA-N -1 1 297.345 3.350 20 0 CGADMM CC(C)(C)C[C@H](CC(=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC000904010839 621854281 /nfs/dbraw/zinc/85/42/81/621854281.db2.gz PYXHQNXDBCEKQW-NSHDSACASA-N -1 1 296.411 3.341 20 0 CGADMM CC[C@H](NCc1ccc(C2CC2)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064786 621862314 /nfs/dbraw/zinc/86/23/14/621862314.db2.gz MQLGKFASFIANMJ-AWEZNQCLSA-N -1 1 299.374 3.226 20 0 CGADMM CSc1ccc([O-])c(-c2nc(Cc3cccnc3)no2)c1 ZINC000904678293 621951755 /nfs/dbraw/zinc/95/17/55/621951755.db2.gz TVCATEONGVKOFP-UHFFFAOYSA-N -1 1 299.355 3.150 20 0 CGADMM CCc1[n-]n(-c2ccc(Cl)c(C)c2)c(=O)c1F ZINC000905024641 622031120 /nfs/dbraw/zinc/03/11/20/622031120.db2.gz PBNBXXHFBMOAEP-LLVKDONJSA-N -1 1 254.692 3.099 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C1(C2CC2)CCC1 ZINC000909972961 622439732 /nfs/dbraw/zinc/43/97/32/622439732.db2.gz SFZLRHBAQPRYCL-UHFFFAOYSA-N -1 1 267.275 3.189 20 0 CGADMM CC1(C)CO[C@@H](CCC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909971516 622440088 /nfs/dbraw/zinc/44/00/88/622440088.db2.gz DMWKMRZTWCVMJK-VIFPVBQESA-N -1 1 299.317 3.204 20 0 CGADMM CC(C)(C)/C=C\C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984788 622512977 /nfs/dbraw/zinc/51/29/77/622512977.db2.gz WJDDEMCVTXWYIS-PLNGDYQASA-N -1 1 255.264 3.211 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C(F)=C1CCC1 ZINC000910985803 622513106 /nfs/dbraw/zinc/51/31/06/622513106.db2.gz FQDQTZCLICASKA-UHFFFAOYSA-N -1 1 257.211 3.016 20 0 CGADMM CC1(C(=O)Nc2cc(F)cc(F)c2[O-])CC(F)(F)C1 ZINC000910991696 622514324 /nfs/dbraw/zinc/51/43/24/622514324.db2.gz QXMRKSDBJLHBBG-UHFFFAOYSA-N -1 1 277.217 3.044 20 0 CGADMM O=C(C[C@@H]1CCC(F)(F)C1)Nc1cc(F)cc(F)c1[O-] ZINC000910995067 622514411 /nfs/dbraw/zinc/51/44/11/622514411.db2.gz VWIZGJNNJWSRKL-ZETCQYMHSA-N -1 1 291.244 3.434 20 0 CGADMM C[C@@H](C(=O)[N-]OCc1ccccc1)c1cccc(F)c1 ZINC000172973976 623303255 /nfs/dbraw/zinc/30/32/55/623303255.db2.gz SIFFJJGKCHEXRL-GFCCVEGCSA-N -1 1 273.307 3.177 20 0 CGADMM COc1cccc(COC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000063543507 623333342 /nfs/dbraw/zinc/33/33/42/623333342.db2.gz BWQNCRPWOGWVMH-UHFFFAOYSA-N -1 1 294.253 3.036 20 0 CGADMM CCc1nnc([C@H](C)O[N-]C(=O)CCC2CCCCC2)o1 ZINC000083536778 625643973 /nfs/dbraw/zinc/64/39/73/625643973.db2.gz DAPHODJNIQEANS-NSHDSACASA-N -1 1 295.383 3.101 20 0 CGADMM O=C(NC[C@H]1Cc2ccccc21)c1c([O-])cccc1Cl ZINC000920453181 624495884 /nfs/dbraw/zinc/49/58/84/624495884.db2.gz ANFCMTBLUHDYBO-LLVKDONJSA-N -1 1 287.746 3.115 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])C(F)(F)c1ccccc1F ZINC000765882673 627277274 /nfs/dbraw/zinc/27/72/74/627277274.db2.gz IDJJHQVIVIGYQC-UHFFFAOYSA-N -1 1 299.223 3.401 20 0 CGADMM CC(C)[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccccn1 ZINC000768163872 627464937 /nfs/dbraw/zinc/46/49/37/627464937.db2.gz DAXPUMNFZICUKI-HNNXBMFYSA-N -1 1 288.322 3.053 20 0 CGADMM CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000874641470 634580160 /nfs/dbraw/zinc/58/01/60/634580160.db2.gz FXCXSTGHDZTFPT-ZETCQYMHSA-N -1 1 296.239 3.323 20 0 CGADMM CCC1(NC(=O)c2c([O-])cccc2Cl)CCC1 ZINC000769946120 627591477 /nfs/dbraw/zinc/59/14/77/627591477.db2.gz MNKUAKRXIBVHDW-UHFFFAOYSA-N -1 1 253.729 3.108 20 0 CGADMM CC(C)CSCCCOC(=O)c1ccc([O-])cc1F ZINC000773567843 627897503 /nfs/dbraw/zinc/89/75/03/627897503.db2.gz YIEMMDJNVIMYHA-UHFFFAOYSA-N -1 1 286.368 3.467 20 0 CGADMM Cc1nc(SCc2ccnc(Cl)c2)[n-]c(=O)c1C ZINC000776870682 628237903 /nfs/dbraw/zinc/23/79/03/628237903.db2.gz YUYUKVVAQGZXNJ-UHFFFAOYSA-N -1 1 281.768 3.140 20 0 CGADMM Cc1oc2ccccc2c1C=C1SC(=O)[N-]C1=O ZINC000874928045 634652327 /nfs/dbraw/zinc/65/23/27/634652327.db2.gz JHPSZPQPYYWDFU-IZZDOVSWSA-N -1 1 259.286 3.065 20 0 CGADMM CC(C)(C)Oc1cccc(C=C2SC(=O)[N-]C2=O)c1 ZINC000874930247 634655653 /nfs/dbraw/zinc/65/56/53/634655653.db2.gz YWEMOKYVDNDDER-FLIBITNWSA-N -1 1 277.345 3.188 20 0 CGADMM COc1cccc([C@H](C)OC(=O)c2ccc([O-])cc2F)c1 ZINC000784518691 628818971 /nfs/dbraw/zinc/81/89/71/628818971.db2.gz RQIGYRLKSKWJPU-JTQLQIEISA-N -1 1 290.290 3.458 20 0 CGADMM CCc1ccc(C(=O)N2CCc3cc(C)ccc32)c([O-])c1 ZINC000787211789 629002298 /nfs/dbraw/zinc/00/22/98/629002298.db2.gz QVLWDXBTJLSMCK-UHFFFAOYSA-N -1 1 281.355 3.466 20 0 CGADMM Cc1oc(C)c(C(=O)Nc2nc(Cl)ccc2[O-])c1C ZINC000790047557 629179653 /nfs/dbraw/zinc/17/96/53/629179653.db2.gz LBPKMVOFWMKPDH-UHFFFAOYSA-N -1 1 280.711 3.211 20 0 CGADMM CC1(C)CCC[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790055146 629180897 /nfs/dbraw/zinc/18/08/97/629180897.db2.gz DJBPAUFDUCUEPE-QMMMGPOBSA-N -1 1 268.744 3.205 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])C(F)(F)Cc1ccccc1 ZINC000793735747 629499145 /nfs/dbraw/zinc/49/91/45/629499145.db2.gz JZAPGLOJJDOQGG-UHFFFAOYSA-N -1 1 295.260 3.348 20 0 CGADMM O=C([N-][C@@H]1C[C@H]1c1cccc(Cl)c1)C(F)(F)C(F)F ZINC000798009142 630015158 /nfs/dbraw/zinc/01/51/58/630015158.db2.gz DVXBDUQYIZFXFV-DTWKUNHWSA-N -1 1 295.663 3.213 20 0 CGADMM CCO[N-]C(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000120421086 630021246 /nfs/dbraw/zinc/02/12/46/630021246.db2.gz CGALWYIPMGQHSY-CYBMUJFWSA-N -1 1 297.354 3.089 20 0 CGADMM C[C@H]1CCC[C@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000799059519 630140248 /nfs/dbraw/zinc/14/02/48/630140248.db2.gz WAVQCUZOXKBSGE-UWVGGRQHSA-N -1 1 267.756 3.212 20 0 CGADMM C[C@@H]1CCC[C@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000799059521 630140263 /nfs/dbraw/zinc/14/02/63/630140263.db2.gz WAVQCUZOXKBSGE-ZJUUUORDSA-N -1 1 267.756 3.212 20 0 CGADMM Cc1ccc2c(c1)CCN2C(=O)c1c(F)ccc([O-])c1F ZINC000809748526 630799521 /nfs/dbraw/zinc/79/95/21/630799521.db2.gz UIPPXDTXFZXAFP-UHFFFAOYSA-N -1 1 289.281 3.182 20 0 CGADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)CCC1(F)F ZINC000811602446 631091108 /nfs/dbraw/zinc/09/11/08/631091108.db2.gz YKESKWSESUBRBD-MRVPVSSYSA-N -1 1 289.709 3.163 20 0 CGADMM C[C@H]1CC[C@@H](OC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000815200209 631739965 /nfs/dbraw/zinc/73/99/65/631739965.db2.gz JGQMZZKCLMHNHA-IONNQARKSA-N -1 1 256.248 3.016 20 0 CGADMM Cc1noc(C)c1CN(C)Cc1cccc([O-])c1Cl ZINC000816491802 631991767 /nfs/dbraw/zinc/99/17/67/631991767.db2.gz ZBIGQYQQVGSRTJ-UHFFFAOYSA-N -1 1 280.755 3.282 20 0 CGADMM O=C([N-]c1cc(F)cc(F)c1F)c1scnc1Cl ZINC000817085825 632076272 /nfs/dbraw/zinc/07/62/72/632076272.db2.gz VLJHKISXBINHEM-UHFFFAOYSA-N -1 1 292.669 3.466 20 0 CGADMM C[C@@]1(C2CCCCC2)CCN1c1cc(Cl)[n-]c(=O)n1 ZINC000866298135 633069389 /nfs/dbraw/zinc/06/93/89/633069389.db2.gz TXPWWKCHWWOTQE-AWEZNQCLSA-N -1 1 281.787 3.385 20 0 CGADMM CCO[C@@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000837144736 634862138 /nfs/dbraw/zinc/86/21/38/634862138.db2.gz SBXTXRWGTBGJCN-DGCLKSJQSA-N -1 1 297.782 3.123 20 0 CGADMM O=C(N[C@@H]1CCCC12CC2)c1c([O-])cccc1Cl ZINC000869748855 633503492 /nfs/dbraw/zinc/50/34/92/633503492.db2.gz LXFCSIOTWYDXED-LLVKDONJSA-N -1 1 265.740 3.108 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC(CCF)CC1 ZINC000870277863 633551844 /nfs/dbraw/zinc/55/18/44/633551844.db2.gz OWZVVTKFCVAXQQ-UHFFFAOYSA-N -1 1 285.746 3.257 20 0 CGADMM C[C@@]1(C(=O)NCc2ccc([O-])c(Cl)c2)C=CCC1 ZINC000828850658 633660837 /nfs/dbraw/zinc/66/08/37/633660837.db2.gz PZJKPRRXUFSCLI-CQSZACIVSA-N -1 1 265.740 3.018 20 0 CGADMM C[C@H](C(=O)[N-]OCCCC(F)(F)F)c1ccccc1F ZINC000871213705 633728632 /nfs/dbraw/zinc/72/86/32/633728632.db2.gz VNUZJGSPAJFOSL-VIFPVBQESA-N -1 1 293.260 3.320 20 0 CGADMM C[C@H](C(=O)[N-]OCCCC(F)(F)F)c1ccsc1 ZINC000871212699 633729301 /nfs/dbraw/zinc/72/93/01/633729301.db2.gz DKZVEPBXZBIOOU-QMMMGPOBSA-N -1 1 281.299 3.242 20 0 CGADMM CCc1nc(SC[C@@H]2CC3(CCC3)CO2)[n-]c(=O)c1C ZINC000871676539 633820913 /nfs/dbraw/zinc/82/09/13/633820913.db2.gz ZBAFDPZCUOUHCH-NSHDSACASA-N -1 1 294.420 3.104 20 0 CGADMM Cc1[n-]n(-c2ccc(Cl)cc2C)c(=O)c1C1CC1 ZINC000871945041 633922533 /nfs/dbraw/zinc/92/25/33/633922533.db2.gz VCZFELHTPOOXPS-CYBMUJFWSA-N -1 1 262.740 3.397 20 0 CGADMM CCc1[n-]n(-c2cccc(C(F)(F)F)c2)c(=O)c1F ZINC000871947286 633923008 /nfs/dbraw/zinc/92/30/08/633923008.db2.gz WEPBYKWGKMYPHG-JTQLQIEISA-N -1 1 274.217 3.156 20 0 CGADMM CCc1[n-]n(Cc2ccc(Cl)cc2Cl)c(=O)c1F ZINC000871945312 633923036 /nfs/dbraw/zinc/92/30/36/633923036.db2.gz ZLRGHJDNSXYHJG-NSHDSACASA-N -1 1 289.137 3.440 20 0 CGADMM CC1(CCNC(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000872991805 634228361 /nfs/dbraw/zinc/22/83/61/634228361.db2.gz PPTBDALSENMDPH-UHFFFAOYSA-N -1 1 282.771 3.035 20 0 CGADMM O=C(N[C@@H]1CCSC2(CCC2)C1)c1ccc([O-])c(F)c1 ZINC000834734152 634231815 /nfs/dbraw/zinc/23/18/15/634231815.db2.gz BZFQXPKBZAZJNO-LLVKDONJSA-N -1 1 295.379 3.079 20 0 CGADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCc1ccc([O-])c(Cl)c1 ZINC000834821523 634246822 /nfs/dbraw/zinc/24/68/22/634246822.db2.gz AHVRSCGDJVGEGF-SDDRHHMPSA-N -1 1 279.767 3.098 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)C1(C(F)F)CCC1 ZINC000834819554 634246840 /nfs/dbraw/zinc/24/68/40/634246840.db2.gz YZMMJKYCBNTYAW-UHFFFAOYSA-N -1 1 289.709 3.097 20 0 CGADMM C[C@@H](C(=O)NCc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000834829170 634250434 /nfs/dbraw/zinc/25/04/34/634250434.db2.gz NIHCRVGPHQNOBS-VIFPVBQESA-N -1 1 269.772 3.344 20 0 CGADMM CC(C)(C)/C=C/C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834828994 634250510 /nfs/dbraw/zinc/25/05/10/634250510.db2.gz HBUDGJSKLQECNA-VOTSOKGWSA-N -1 1 267.756 3.264 20 0 CGADMM C[C@@H](CC(=O)NCc1ccc([O-])c(Cl)c1)n1cccc1 ZINC000834829725 634250961 /nfs/dbraw/zinc/25/09/61/634250961.db2.gz ZBZGNTCVNWRQCT-NSHDSACASA-N -1 1 292.766 3.115 20 0 CGADMM O=C(C=C1CCCC1)NCc1ccc([O-])c(Cl)c1 ZINC000834833978 634252645 /nfs/dbraw/zinc/25/26/45/634252645.db2.gz RTCVFUVXJZSZCY-UHFFFAOYSA-N -1 1 265.740 3.162 20 0 CGADMM CC[C@@H](CC(F)F)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000837577861 634939934 /nfs/dbraw/zinc/93/99/34/634939934.db2.gz ZUZBRAKFIJDXDS-LURJTMIESA-N -1 1 278.686 3.061 20 0 CGADMM O=C([O-])[C@@H](NCc1cccc2c1CCC2)c1ccccc1F ZINC000844291066 635860349 /nfs/dbraw/zinc/86/03/49/635860349.db2.gz PLMXXWVUXBZSQK-KRWDZBQOSA-N -1 1 299.345 3.230 20 0 CGADMM CCc1nc(S[C@H](C)c2ccc(F)nc2)[n-]c(=O)c1C ZINC000882176812 636278974 /nfs/dbraw/zinc/27/89/74/636278974.db2.gz ACDACSMIQLOHNA-SECBINFHSA-N -1 1 293.367 3.440 20 0 CGADMM O=C(CC12CC3CC(CC(C3)C1)C2)[N-]OCC(F)(F)F ZINC000135224032 637097898 /nfs/dbraw/zinc/09/78/98/637097898.db2.gz ZICRVTQXMSRWMS-UHFFFAOYSA-N -1 1 291.313 3.203 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000885673925 637284211 /nfs/dbraw/zinc/28/42/11/637284211.db2.gz ZXZGTLRFMCJSLV-JVXFYDFGSA-N -1 1 295.741 3.415 20 0 CGADMM CCC[C@@H](OCC)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680332 637285422 /nfs/dbraw/zinc/28/54/22/637285422.db2.gz PKGYCZHMJQJBQH-GFCCVEGCSA-N -1 1 289.734 3.328 20 0 CGADMM CCCCOc1ccc(C(=O)NOCC2CCC2)c([O-])c1 ZINC000856350992 638350895 /nfs/dbraw/zinc/35/08/95/638350895.db2.gz ZFRZZPJVNJMBDU-UHFFFAOYSA-N -1 1 293.363 3.033 20 0 CGADMM CCC(CC)[C@H](CCNc1cc(Cl)[n-]c(=O)n1)OC ZINC000858454282 638723899 /nfs/dbraw/zinc/72/38/99/638723899.db2.gz ASHFBJPLSMVQMK-JTQLQIEISA-N -1 1 287.791 3.089 20 0 CGADMM CC(C)(C)C1=CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858459351 638724903 /nfs/dbraw/zinc/72/49/03/638724903.db2.gz VURGXHXNBASZNK-UHFFFAOYSA-N -1 1 267.760 3.018 20 0 CGADMM O=c1nc(NC(C2CCC2)C2CCC2)cc(Cl)[n-]1 ZINC000858542858 638757736 /nfs/dbraw/zinc/75/77/36/638757736.db2.gz COFMPYWSTDHFIG-UHFFFAOYSA-N -1 1 267.760 3.216 20 0 CGADMM C[C@H](CCCc1cccnc1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858567092 638762978 /nfs/dbraw/zinc/76/29/78/638762978.db2.gz SSMDVPVEPTUPNW-SNVBAGLBSA-N -1 1 292.770 3.054 20 0 CGADMM CC(C)(C)[C@@H]1CCC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858569831 638762988 /nfs/dbraw/zinc/76/29/88/638762988.db2.gz NYXFPHZQJKJPCQ-RKDXNWHRSA-N -1 1 269.776 3.462 20 0 CGADMM CC(C)N(CC(F)F)C[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000929855783 638957450 /nfs/dbraw/zinc/95/74/50/638957450.db2.gz SOICSOVBAXVDKX-LLVKDONJSA-N -1 1 285.334 3.187 20 0 CGADMM CC[C@@H](CNc1cc(Cl)[n-]c(=O)n1)CC(F)(F)F ZINC000858571153 638995874 /nfs/dbraw/zinc/99/58/74/638995874.db2.gz YNQHZJUBASHIKS-ZCFIWIBFSA-N -1 1 283.681 3.226 20 0 CGADMM O=c1nc(N2CCCC3(CCCC3)CC2)cc(Cl)[n-]1 ZINC000858622175 639004124 /nfs/dbraw/zinc/00/41/24/639004124.db2.gz PAZBFUJBBDKWDL-UHFFFAOYSA-N -1 1 281.787 3.386 20 0 CGADMM CSc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000188365439 640133206 /nfs/dbraw/zinc/13/32/06/640133206.db2.gz IFRLLULCQYFNDA-UHFFFAOYSA-N -1 1 294.763 3.415 20 0 CGADMM CCS[C@H](C(=O)Nc1nc(Cl)ccc1[O-])C(C)C ZINC000194579093 640541970 /nfs/dbraw/zinc/54/19/70/640541970.db2.gz DQNNRIVVPNOWDX-JTQLQIEISA-N -1 1 288.800 3.157 20 0 CGADMM Cc1cc(=O)[n-]c(NN=Cc2cc(Cl)cc(Cl)c2)n1 ZINC000017379094 641029424 /nfs/dbraw/zinc/02/94/24/641029424.db2.gz IKEVUNBPLQOZQZ-UHFFFAOYSA-N -1 1 297.145 3.243 20 0 CGADMM Cn1c(-c2c([O-])cccc2F)nc2ccc(F)c(F)c21 ZINC001250674849 805754457 /nfs/dbraw/zinc/75/44/57/805754457.db2.gz XWLRKCYEAKCKLZ-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM CCOc1ccc2nc(-c3ccc(C(=O)[O-])cc3O)[nH]c2c1 ZINC001251017223 805829227 /nfs/dbraw/zinc/82/92/27/805829227.db2.gz PDODZDHPZUCXPO-UHFFFAOYSA-N -1 1 298.298 3.032 20 0 CGADMM Cn1c(-c2c([O-])ccc(F)c2F)nc2cccc(F)c21 ZINC001251322490 805880688 /nfs/dbraw/zinc/88/06/88/805880688.db2.gz WPNLGCHRIPUSTC-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM COc1ccc2c(c1)nc(-c1ccc(F)c([O-])c1)n2C ZINC001251477194 805899872 /nfs/dbraw/zinc/89/98/72/805899872.db2.gz JNMNZBXNECVPON-UHFFFAOYSA-N -1 1 272.279 3.094 20 0 CGADMM COc1ccc(-c2nnc(-c3c([O-])cccc3OC)o2)cc1 ZINC001251954268 805955064 /nfs/dbraw/zinc/95/50/64/805955064.db2.gz GLURFLBITSPHID-UHFFFAOYSA-N -1 1 298.298 3.126 20 0 CGADMM O=S(=O)(Cc1ccccc1)[N-]c1ccc(Cl)s1 ZINC001252820308 806126152 /nfs/dbraw/zinc/12/61/52/806126152.db2.gz CGDJGITWKBLXBK-UHFFFAOYSA-N -1 1 287.793 3.343 20 0 CGADMM [O-]c1cnccc1-c1nnc(Cc2cccc(Cl)c2)o1 ZINC001254463093 806411022 /nfs/dbraw/zinc/41/10/22/806411022.db2.gz ABUFBKNACMAMHJ-UHFFFAOYSA-N -1 1 287.706 3.081 20 0 CGADMM [O-]c1cccnc1-c1nnc([C@H]2C[C@@H]2c2ccccc2)o1 ZINC001254515243 806434512 /nfs/dbraw/zinc/43/45/12/806434512.db2.gz YQFZWNFLOAFHNZ-NEPJUHHUSA-N -1 1 279.299 3.108 20 0 CGADMM [O-]c1ccc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)nn1 ZINC001254617722 806461224 /nfs/dbraw/zinc/46/12/24/806461224.db2.gz KQABXACDIJCHIL-GHMZBOCLSA-N -1 1 280.287 3.064 20 0 CGADMM C[C@@H](CC(=O)Nc1cc(F)cc(F)c1[O-])c1ccncc1 ZINC001162295240 806551045 /nfs/dbraw/zinc/55/10/45/806551045.db2.gz FFODAPYTGUQTOT-VIFPVBQESA-N -1 1 292.285 3.198 20 0 CGADMM Cc1ccccc1CNC(=O)c1c([O-])cccc1Cl ZINC000143267087 799044678 /nfs/dbraw/zinc/04/46/78/799044678.db2.gz HITUUXICMAXHMS-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM COc1ccc(C(=O)Nc2cccc3cnccc32)c([O-])c1 ZINC000315223087 799234960 /nfs/dbraw/zinc/23/49/60/799234960.db2.gz PRBFROZDUAUROH-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM CCc1csc(SCC(=O)c2ccc([O-])cc2)n1 ZINC000382890421 799398686 /nfs/dbraw/zinc/39/86/86/799398686.db2.gz AFQKUNRJWYJNIL-UHFFFAOYSA-N -1 1 279.386 3.386 20 0 CGADMM C[C@H](CCC(C)(C)C)NC(=O)c1c([O-])cccc1F ZINC000386424572 799436203 /nfs/dbraw/zinc/43/62/03/799436203.db2.gz YUULASVAZPCNSH-SNVBAGLBSA-N -1 1 267.344 3.476 20 0 CGADMM O=C(Nc1cncc2ccccc21)c1ccc([O-])cc1F ZINC000396475784 799508346 /nfs/dbraw/zinc/50/83/46/799508346.db2.gz UJUFWNAZZPCPNE-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM Cc1cccc(-c2noc(-c3ncccc3[O-])n2)c1C ZINC000405095552 799581281 /nfs/dbraw/zinc/58/12/81/799581281.db2.gz XHPNHFOLHZYSNC-UHFFFAOYSA-N -1 1 267.288 3.121 20 0 CGADMM O=C(NCc1cc(Cl)ccn1)c1ccc(Cl)cc1[O-] ZINC000436730915 799612028 /nfs/dbraw/zinc/61/20/28/799612028.db2.gz IVRPQXXMFSGKFP-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM C[C@]1(C(=O)[O-])CCN(Cc2csc(C(F)(F)F)c2)C1 ZINC000703285257 799921260 /nfs/dbraw/zinc/92/12/60/799921260.db2.gz QBVUAELIWMXJIJ-NSHDSACASA-N -1 1 293.310 3.064 20 0 CGADMM O=C([O-])[C@@H]1CCCCN1Cc1ccsc1C(F)(F)F ZINC000704327016 799935511 /nfs/dbraw/zinc/93/55/11/799935511.db2.gz OPEFQSKCLRWSES-VIFPVBQESA-N -1 1 293.310 3.206 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(F)(C2CC2)CC1 ZINC000724831695 800367801 /nfs/dbraw/zinc/36/78/01/800367801.db2.gz QFIRPIZJQZDUCJ-UHFFFAOYSA-N -1 1 297.757 3.400 20 0 CGADMM CCCCCc1nnc(-c2ccc(F)c([O-])c2)o1 ZINC001256137173 806832437 /nfs/dbraw/zinc/83/24/37/806832437.db2.gz SJKXAJNPOFZZLV-UHFFFAOYSA-N -1 1 250.273 3.314 20 0 CGADMM C[C@@H]1C[C@@H]1c1nnc(-c2cc(Br)ccc2[O-])o1 ZINC001256619313 806927659 /nfs/dbraw/zinc/92/76/59/806927659.db2.gz XFWNGEWSEFIUCY-SVRRBLITSA-N -1 1 295.136 3.328 20 0 CGADMM C/C(=C/C(=O)Nc1ccc(Br)c([O-])c1)C1CC1 ZINC001116742846 802402650 /nfs/dbraw/zinc/40/26/50/802402650.db2.gz KXGRPFIJBJQGGM-VURMDHGXSA-N -1 1 296.164 3.450 20 0 CGADMM CNC(=S)Nc1ccc(-c2c([O-])cccc2Cl)nc1 ZINC001244036136 803154076 /nfs/dbraw/zinc/15/40/76/803154076.db2.gz JASCCZNFLYOQMA-UHFFFAOYSA-N -1 1 293.779 3.024 20 0 CGADMM CC1(c2cccc(-c3c([O-])cccc3Cl)n2)OCCO1 ZINC001244048107 803160169 /nfs/dbraw/zinc/16/01/69/803160169.db2.gz OLDNVYGHQICMTR-UHFFFAOYSA-N -1 1 291.734 3.327 20 0 CGADMM COC(=O)Cc1ccccc1-c1cc(F)c([O-])c(F)c1 ZINC001244095060 803183122 /nfs/dbraw/zinc/18/31/22/803183122.db2.gz ALUNDUWVTUNHQZ-UHFFFAOYSA-N -1 1 278.254 3.053 20 0 CGADMM CCOc1ccc(-c2cc(F)c([O-])c(F)c2)cn1 ZINC001244096004 803183520 /nfs/dbraw/zinc/18/35/20/803183520.db2.gz HAGYJMCBHHSZTA-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM CCOC(=O)Cc1ccc(-c2cc(F)c([O-])c(F)c2)cc1 ZINC001244096024 803184292 /nfs/dbraw/zinc/18/42/92/803184292.db2.gz HVWGDLNKPJVKFQ-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM [O-]c1c(F)cc(-c2cccc(C3OCCO3)c2)cc1F ZINC001244097319 803184885 /nfs/dbraw/zinc/18/48/85/803184885.db2.gz UEMZVWFMRDIRQW-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM CCOC(=O)Cc1ccccc1-c1cc(F)c([O-])c(F)c1 ZINC001244096836 803185696 /nfs/dbraw/zinc/18/56/96/803185696.db2.gz PEXAFCHWSXBFAB-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM Cc1c(-c2cc(F)c([O-])c(F)c2)ccc2nccn21 ZINC001244098435 803186425 /nfs/dbraw/zinc/18/64/25/803186425.db2.gz IZDRRYDRKQQXOB-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cncc(C)c3C)ccc2[n-]1 ZINC001244155394 803215358 /nfs/dbraw/zinc/21/53/58/803215358.db2.gz VMIBWCXOBQFRFX-UHFFFAOYSA-N -1 1 295.342 3.418 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cncc(C)c3C)cc2[n-]1 ZINC001244155394 803215366 /nfs/dbraw/zinc/21/53/66/803215366.db2.gz VMIBWCXOBQFRFX-UHFFFAOYSA-N -1 1 295.342 3.418 20 0 CGADMM COc1nc(-c2cc(C)ccc2[O-])nc2ccccc21 ZINC001244403511 803352380 /nfs/dbraw/zinc/35/23/80/803352380.db2.gz ZKMHSVLDXMPQTJ-UHFFFAOYSA-N -1 1 266.300 3.319 20 0 CGADMM CC=C(C)Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001210795214 814630121 /nfs/dbraw/zinc/63/01/21/814630121.db2.gz UMVVHYYWPONREU-XBXARRHUSA-N -1 1 275.757 3.231 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1ccc2nc[nH]c2n1 ZINC001244463082 803381787 /nfs/dbraw/zinc/38/17/87/803381787.db2.gz GAQPQSHQLSKTEE-UHFFFAOYSA-N -1 1 295.220 3.229 20 0 CGADMM Cc1cc(-c2ncnc3c2CCC3)cc(Cl)c1[O-] ZINC001244529981 803421780 /nfs/dbraw/zinc/42/17/80/803421780.db2.gz HMWDWKWEUQFKHC-UHFFFAOYSA-N -1 1 260.724 3.300 20 0 CGADMM COC(=O)c1cc(F)cnc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244530604 803421822 /nfs/dbraw/zinc/42/18/22/803421822.db2.gz OYTDWBRTXFRPPD-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM Cn1cnc2c1ccnc2-c1c(Cl)ccc([O-])c1F ZINC001244537413 803425557 /nfs/dbraw/zinc/42/55/57/803425557.db2.gz DTEPAZICDRJNHM-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncnc3[nH]cc(F)c32)c1F ZINC001244538201 803425913 /nfs/dbraw/zinc/42/59/13/803425913.db2.gz KNDQGRQQDCWWOO-UHFFFAOYSA-N -1 1 281.649 3.214 20 0 CGADMM COC(=O)c1ccc(C)nc1-c1c(Cl)ccc([O-])c1F ZINC001244538642 803426303 /nfs/dbraw/zinc/42/63/03/803426303.db2.gz PYJXIJWLCZNUBQ-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccc3c(n2)CCOC3)c1F ZINC001244538705 803426617 /nfs/dbraw/zinc/42/66/17/803426617.db2.gz OEJIBODGIPPCKI-UHFFFAOYSA-N -1 1 279.698 3.319 20 0 CGADMM CCN(CC)c1cncc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244538457 803426966 /nfs/dbraw/zinc/42/69/66/803426966.db2.gz LALQOJHBYKJOML-UHFFFAOYSA-N -1 1 295.745 3.488 20 0 CGADMM CCc1ncnc(-c2c(Cl)ccc([O-])c2F)c1F ZINC001244539301 803427316 /nfs/dbraw/zinc/42/73/16/803427316.db2.gz VDHPOQYWZSZUNJ-UHFFFAOYSA-N -1 1 270.666 3.343 20 0 CGADMM CCOc1ncc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244542502 803429786 /nfs/dbraw/zinc/42/97/86/803429786.db2.gz YONVQSJWFTVBAJ-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM Cc1nc2[nH]cnc2cc1-c1c(Cl)ccc([O-])c1F ZINC001244542822 803429990 /nfs/dbraw/zinc/42/99/90/803429990.db2.gz OQIPKDOLTBQEAT-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM Cc1cc(-c2cccn3cnnc23)cc(Cl)c1[O-] ZINC001244548037 803432985 /nfs/dbraw/zinc/43/29/85/803432985.db2.gz TWPDBPYTRLFLQB-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM Cc1noc(-c2ccc(-c3cc(Cl)ccc3[O-])nc2)n1 ZINC001245050369 803622491 /nfs/dbraw/zinc/62/24/91/803622491.db2.gz TUSGKOPXDIZYFM-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1cnc(OC2CCC2)cn1 ZINC001245055566 803624518 /nfs/dbraw/zinc/62/45/18/803624518.db2.gz RQQVOTYQZIQATH-UHFFFAOYSA-N -1 1 276.723 3.434 20 0 CGADMM CC1(C)C2CCC1(C(=O)[N-]OCc1ccccc1)CC2 ZINC001136108345 803630848 /nfs/dbraw/zinc/63/08/48/803630848.db2.gz KWKIUKJCDNJIBV-UHFFFAOYSA-N -1 1 273.376 3.451 20 0 CGADMM O=C(Nc1ccc2sccc2c1)c1ccc([O-])cn1 ZINC001136092040 803631344 /nfs/dbraw/zinc/63/13/44/803631344.db2.gz VRSBICKXLIVDHN-UHFFFAOYSA-N -1 1 270.313 3.254 20 0 CGADMM COc1c(F)c(F)ccc1Nc1ccnc(Cl)c1[O-] ZINC001211892560 814952488 /nfs/dbraw/zinc/95/24/88/814952488.db2.gz GPOVGIFTAXWNBA-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001136488388 803644650 /nfs/dbraw/zinc/64/46/50/803644650.db2.gz MLEFWSOINIKVRC-RDBSUJKOSA-N -1 1 290.407 3.225 20 0 CGADMM CSc1ccncc1[N-]C(=O)c1onc2ccccc21 ZINC001137169349 803693225 /nfs/dbraw/zinc/69/32/25/803693225.db2.gz XKNYIYWHPBJKHK-UHFFFAOYSA-N -1 1 285.328 3.197 20 0 CGADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC001137192315 803696063 /nfs/dbraw/zinc/69/60/63/803696063.db2.gz ZWLNVOMLTNTFDN-MFKMUULPSA-N -1 1 279.355 3.476 20 0 CGADMM CC(C)=CCCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001138211744 803874410 /nfs/dbraw/zinc/87/44/10/803874410.db2.gz HMIAKBKPMBUIBS-UHFFFAOYSA-N -1 1 285.343 3.337 20 0 CGADMM COC(=O)c1ccc(OC)c(-c2c([O-])cccc2F)c1F ZINC001245655020 803886832 /nfs/dbraw/zinc/88/68/32/803886832.db2.gz RIMLEJHRKZFKDL-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3cccnc32)c1Cl ZINC001245825464 803981718 /nfs/dbraw/zinc/98/17/18/803981718.db2.gz AEUBQIWNRQSBTC-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM COc1ccc(-c2c(F)ccc([O-])c2Cl)nc1 ZINC001245828840 803982945 /nfs/dbraw/zinc/98/29/45/803982945.db2.gz YKRXXIPNPZJMTA-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM Cc1nc(C)c(F)c(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245830344 803984557 /nfs/dbraw/zinc/98/45/57/803984557.db2.gz KXSYONHFDGCHLP-UHFFFAOYSA-N -1 1 270.666 3.398 20 0 CGADMM COc1cnc(F)cc1-c1c(F)ccc([O-])c1Cl ZINC001245832625 803988941 /nfs/dbraw/zinc/98/89/41/803988941.db2.gz LYWVKADOLOCSDK-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM O=c1cc(CC2CCC2)[n-]n1C(=S)c1ccc(F)cc1 ZINC001245936176 804068009 /nfs/dbraw/zinc/06/80/09/804068009.db2.gz FJLOZYGCZGXZFZ-UHFFFAOYSA-N -1 1 290.363 3.294 20 0 CGADMM Cc1cc(F)ccc1-n1[n-]c(CC2CCC2)cc1=O ZINC001245938466 804070132 /nfs/dbraw/zinc/07/01/32/804070132.db2.gz ZLPVHPPMEPFDTG-UHFFFAOYSA-N -1 1 260.312 3.368 20 0 CGADMM CCCCCc1cc(=O)n(-c2ccc(OC)c(OC)c2)[n-]1 ZINC001245943754 804075731 /nfs/dbraw/zinc/07/57/31/804075731.db2.gz VJVHUQTYPKVRGW-UHFFFAOYSA-N -1 1 290.363 3.328 20 0 CGADMM [O-]c1c(Cl)cc(Cl)cc1Nc1ccc(CO)nc1 ZINC001212380880 815013676 /nfs/dbraw/zinc/01/36/76/815013676.db2.gz VTNYOJSTJWPSGT-UHFFFAOYSA-N -1 1 285.130 3.330 20 0 CGADMM Cc1[nH]c(CN2CCC[C@H]2c2ccncc2)c(C)c1C(=O)[O-] ZINC001140495936 804447113 /nfs/dbraw/zinc/44/71/13/804447113.db2.gz LOKJTBWBNSFULT-HNNXBMFYSA-N -1 1 299.374 3.062 20 0 CGADMM Cc1[nH]c(CN2CCCC[C@](C)(F)C2)c(C)c1C(=O)[O-] ZINC001140493499 804447656 /nfs/dbraw/zinc/44/76/56/804447656.db2.gz AGOBZDPWWKCJPL-HNNXBMFYSA-N -1 1 282.359 3.044 20 0 CGADMM Cc1[nH]c(CN2CCC[C@H]3CCCC[C@H]32)c(C)c1C(=O)[O-] ZINC001140497172 804447737 /nfs/dbraw/zinc/44/77/37/804447737.db2.gz HSVHAAWPOWGWHP-UKRRQHHQSA-N -1 1 290.407 3.484 20 0 CGADMM CN(Cc1cccc(F)c1)Cc1ccc([O-])c(F)c1F ZINC001140890093 804542169 /nfs/dbraw/zinc/54/21/69/804542169.db2.gz UQUHNXJQXRFIOD-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM [O-]c1ccc(CN2CCC[C@@H]2c2ccccn2)c(F)c1F ZINC001140892256 804542535 /nfs/dbraw/zinc/54/25/35/804542535.db2.gz GPHMZLKRSHTMST-CYBMUJFWSA-N -1 1 290.313 3.403 20 0 CGADMM [O-]c1ccc(CN2CCc3ccc(F)cc3C2)c(F)c1F ZINC001140893654 804545168 /nfs/dbraw/zinc/54/51/68/804545168.db2.gz XPLGAHYVZDXMDT-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@@H]2c2cccnc2)cc1F ZINC001140988163 804563155 /nfs/dbraw/zinc/56/31/55/804563155.db2.gz QALKRBRUQBWRMI-OAHLLOKOSA-N -1 1 290.313 3.403 20 0 CGADMM C[C@@H](NC(=O)c1ncccc1[O-])c1ccc(F)cc1Cl ZINC001141448513 804642572 /nfs/dbraw/zinc/64/25/72/804642572.db2.gz NIKSWPRWCLNEFH-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM CC[C@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1F ZINC001141540191 804650831 /nfs/dbraw/zinc/65/08/31/804650831.db2.gz FSBIAUBWJWFERT-CMPLNLGQSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)c1cccc(O)c1 ZINC001141834199 804671123 /nfs/dbraw/zinc/67/11/23/804671123.db2.gz WHRZPTJKHDPGIK-MRVPVSSYSA-N -1 1 293.269 3.118 20 0 CGADMM C[C@H]1CN(C(=O)c2cccc([O-])c2F)c2ccccc21 ZINC001142644418 804746711 /nfs/dbraw/zinc/74/67/11/804746711.db2.gz OSKVZFYWCKKSLM-JTQLQIEISA-N -1 1 271.291 3.295 20 0 CGADMM CC(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001142776413 804768550 /nfs/dbraw/zinc/76/85/50/804768550.db2.gz KDORBVHNDUMECS-UHFFFAOYSA-N -1 1 261.243 3.396 20 0 CGADMM O=C([N-][C@@H]1CCc2ccc(C(F)(F)F)cc21)C(F)F ZINC001142792603 804771222 /nfs/dbraw/zinc/77/12/22/804771222.db2.gz ZZIXSVODQYVYLH-SECBINFHSA-N -1 1 279.208 3.074 20 0 CGADMM CC(C)Oc1cccc(-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212481078 815036405 /nfs/dbraw/zinc/03/64/05/815036405.db2.gz ZCPVLRQNFCLPKH-UHFFFAOYSA-N -1 1 297.314 3.291 20 0 CGADMM CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H]1CCCCO1 ZINC001144101043 804934705 /nfs/dbraw/zinc/93/47/05/804934705.db2.gz MESTZKBXPNNKFS-GXTWGEPZSA-N -1 1 297.782 3.123 20 0 CGADMM [O-]c1cc(F)c(CN2CCCC(F)(F)CC2)c(F)c1 ZINC001144541453 805002030 /nfs/dbraw/zinc/00/20/30/805002030.db2.gz GANFRICFVSAURU-UHFFFAOYSA-N -1 1 277.261 3.292 20 0 CGADMM CC1(C)CN(Cc2c(F)cc([O-])cc2F)CC(C)(C)O1 ZINC001144561279 805005894 /nfs/dbraw/zinc/00/58/94/805005894.db2.gz DZVQKQZAXNNJMD-UHFFFAOYSA-N -1 1 285.334 3.060 20 0 CGADMM O=C([O-])c1ccsc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC001144680152 805032902 /nfs/dbraw/zinc/03/29/02/805032902.db2.gz KIZHKDKEHXANJR-UHFFFAOYSA-N -1 1 291.347 3.144 20 0 CGADMM O=C([O-])c1ccsc1CN1CCc2cc(F)ccc2C1 ZINC001144680152 805032912 /nfs/dbraw/zinc/03/29/12/805032912.db2.gz KIZHKDKEHXANJR-UHFFFAOYSA-N -1 1 291.347 3.144 20 0 CGADMM Cn1cc(Nc2ccnc(Cl)c2[O-])c2ccncc21 ZINC001249692718 805214957 /nfs/dbraw/zinc/21/49/57/805214957.db2.gz IMVBVPRTVQQDHW-UHFFFAOYSA-N -1 1 274.711 3.071 20 0 CGADMM Cc1ccc(NC(=O)c2ccc3cccnc3c2[O-])cc1O ZINC001149322729 805228437 /nfs/dbraw/zinc/22/84/37/805228437.db2.gz QUWSPLDVBQEPLQ-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM C[C@H]1CCC[C@H](C)N1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249759899 805236137 /nfs/dbraw/zinc/23/61/37/805236137.db2.gz MKKLJWSTFCURES-UWVGGRQHSA-N -1 1 283.318 3.426 20 0 CGADMM O=C(Nc1cccnc1F)c1cc2cccc(O)c2cc1[O-] ZINC001149645450 805240740 /nfs/dbraw/zinc/24/07/40/805240740.db2.gz TYOAMTUPKCKTCM-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cnn3c2CCCC3)c([O-])c1 ZINC001151437138 805289305 /nfs/dbraw/zinc/28/93/05/805289305.db2.gz JWCJELCKSPOBPR-UHFFFAOYSA-N -1 1 299.374 3.301 20 0 CGADMM [O-]c1cc(CCOc2ccccc2)c(F)c(F)c1F ZINC001249938697 805316578 /nfs/dbraw/zinc/31/65/78/805316578.db2.gz JSRPUOGBHQKENG-UHFFFAOYSA-N -1 1 268.234 3.431 20 0 CGADMM [O-]c1cc(Nc2cn(C3CCC3)cn2)c(F)c(F)c1F ZINC001249961222 805329570 /nfs/dbraw/zinc/32/95/70/805329570.db2.gz LINQCZHUWRDVQT-UHFFFAOYSA-N -1 1 283.253 3.475 20 0 CGADMM Nc1cc(F)cc(F)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249963049 805330217 /nfs/dbraw/zinc/33/02/17/805330217.db2.gz QLSJEJPKOSERGC-UHFFFAOYSA-N -1 1 290.191 3.414 20 0 CGADMM CN(c1ccccc1N)c1cc([O-])c(F)c(F)c1F ZINC001249962975 805331655 /nfs/dbraw/zinc/33/16/55/805331655.db2.gz 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-1 1 253.252 3.021 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccnc2[nH]ccc21 ZINC001174415930 809009583 /nfs/dbraw/zinc/00/95/83/809009583.db2.gz WTKZADMNHAILME-UHFFFAOYSA-N -1 1 261.231 3.242 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cnn([C@@H]2CCCCO2)c1 ZINC001174605008 809100521 /nfs/dbraw/zinc/10/05/21/809100521.db2.gz GSSXZQQKJGCEIR-ZDUSSCGKSA-N -1 1 295.289 3.310 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc2c(c1)OCO2 ZINC001174864087 809182654 /nfs/dbraw/zinc/18/26/54/809182654.db2.gz PZIGXDXCLFFSPX-UHFFFAOYSA-N -1 1 265.215 3.143 20 0 CGADMM Cn1cc2cccc([N-]c3nc(C(C)(C)C)ns3)c2n1 ZINC001175457529 809412568 /nfs/dbraw/zinc/41/25/68/809412568.db2.gz HXTVHRAPGCDIQW-UHFFFAOYSA-N -1 1 287.392 3.466 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCCC[C@@H]2C(C)C)c1 ZINC001293450959 809448566 /nfs/dbraw/zinc/44/85/66/809448566.db2.gz MJIZGIXKSQBESD-OAHLLOKOSA-N -1 1 289.375 3.164 20 0 CGADMM CCc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC001295291826 809484311 /nfs/dbraw/zinc/48/43/11/809484311.db2.gz CJABYEKQBSOVSL-UHFFFAOYSA-N -1 1 276.723 3.255 20 0 CGADMM Cc1nc(N)ncc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001175670683 809499937 /nfs/dbraw/zinc/49/99/37/809499937.db2.gz CEUHBZPOHMXGRR-UHFFFAOYSA-N -1 1 285.134 3.123 20 0 CGADMM COc1cc([N-]c2nnc(C(C)(C)C)s2)c(F)cn1 ZINC001175689190 809504960 /nfs/dbraw/zinc/50/49/60/809504960.db2.gz ZNTHSEFCZFDETC-UHFFFAOYSA-N -1 1 282.344 3.122 20 0 CGADMM O=S(=O)([O-])c1ccc(NC2=CCCCC2)c(Cl)c1 ZINC001175754488 809532216 /nfs/dbraw/zinc/53/22/16/809532216.db2.gz CPMHRMBKKDCTCB-UHFFFAOYSA-N -1 1 287.768 3.457 20 0 CGADMM Cc1ccc(-n2ccc(NC(=O)c3ccccc3[O-])n2)cc1 ZINC001300149034 809562170 /nfs/dbraw/zinc/56/21/70/809562170.db2.gz BHHWYDYLKFSUFK-UHFFFAOYSA-N -1 1 293.326 3.139 20 0 CGADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)[C@@H]1CC2CCC1CC2 ZINC001300206143 809563304 /nfs/dbraw/zinc/56/33/04/809563304.db2.gz DRPIUQIZESBKNB-NPZBDFSRSA-N -1 1 291.366 3.476 20 0 CGADMM Cc1nc(NC(=O)c2ccc(C(C)C)cc2[O-])oc1C ZINC001301052529 809578101 /nfs/dbraw/zinc/57/81/01/809578101.db2.gz VHKGHPCUSMCPRE-UHFFFAOYSA-N -1 1 274.320 3.373 20 0 CGADMM CC(C)(C)c1nsc([N-]c2cnn(C3CC3)c2)n1 ZINC001175959630 809581618 /nfs/dbraw/zinc/58/16/18/809581618.db2.gz ZHPNIMADFPBTBY-UHFFFAOYSA-N -1 1 263.370 3.111 20 0 CGADMM Cc1scc(CNC(=O)c2ccc([O-])c(F)c2)c1C ZINC001302251791 809591113 /nfs/dbraw/zinc/59/11/13/809591113.db2.gz XGPZYWIOFRWCCB-UHFFFAOYSA-N -1 1 279.336 3.140 20 0 CGADMM COc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1CO ZINC001175985135 809591302 /nfs/dbraw/zinc/59/13/02/809591302.db2.gz AYVJUCGVOQDXQU-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC001302411953 809593090 /nfs/dbraw/zinc/59/30/90/809593090.db2.gz GLMHJANCAWUCQU-OVZMXSCWSA-N -1 1 299.370 3.087 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccc(Cl)s1 ZINC001302482230 809595828 /nfs/dbraw/zinc/59/58/28/809595828.db2.gz UFOIERXUYDJPQO-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM C[C@H]1CC[C@@H](CC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001303298465 809608098 /nfs/dbraw/zinc/60/80/98/809608098.db2.gz BMPZFKMLXLZZDB-WDEREUQCSA-N -1 1 281.783 3.488 20 0 CGADMM Cc1noc(C)c1[N-]c1nc2c(cccc2O)s1 ZINC001176175623 809639423 /nfs/dbraw/zinc/63/94/23/809639423.db2.gz DWXNWKHAGLLEMD-UHFFFAOYSA-N -1 1 261.306 3.350 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ncccc2F)c1F ZINC001176663147 809737338 /nfs/dbraw/zinc/73/73/38/809737338.db2.gz CCPGWIUYOFGWRU-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM Cc1cnc(Cl)c(Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176664643 809738643 /nfs/dbraw/zinc/73/86/43/809738643.db2.gz VWXWMYNIKFCLSK-UHFFFAOYSA-N -1 1 289.644 3.305 20 0 CGADMM COc1ccc(O)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176671686 809739483 /nfs/dbraw/zinc/73/94/83/809739483.db2.gz LEAQOQJEQDYSAM-UHFFFAOYSA-N -1 1 285.221 3.267 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc(O)c(F)c2)c1F ZINC001176671477 809739938 /nfs/dbraw/zinc/73/99/38/809739938.db2.gz FJJCCMALOFBZQS-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM O=C(NCC1CCC=CCC1)c1ncc2ccccc2c1[O-] ZINC001178580895 809878540 /nfs/dbraw/zinc/87/85/40/809878540.db2.gz GXWVVKXOBKWYAG-UHFFFAOYSA-N -1 1 296.370 3.417 20 0 CGADMM C[C@@H]1Cc2cc(NC(=O)c3cc(F)ccc3[O-])ccc2O1 ZINC001179509805 809926903 /nfs/dbraw/zinc/92/69/03/809926903.db2.gz LAQLDNLDBAXDBQ-SECBINFHSA-N -1 1 287.290 3.107 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2cccnc2c1 ZINC001183054772 810135888 /nfs/dbraw/zinc/13/58/88/810135888.db2.gz TVRGKJIELPSYAH-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1ccsc1 ZINC001185392579 810260640 /nfs/dbraw/zinc/26/06/40/810260640.db2.gz SDCGUGCTHTXWOW-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM O=C(NCc1ccc(F)cc1)Nc1cc(F)c([O-])c(F)c1 ZINC001185472394 810267535 /nfs/dbraw/zinc/26/75/35/810267535.db2.gz XWPMVIKHORBRON-UHFFFAOYSA-N -1 1 296.248 3.131 20 0 CGADMM CC(C)CCCC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001187210393 810390264 /nfs/dbraw/zinc/39/02/64/810390264.db2.gz WFGPHGIMWYAUGP-UHFFFAOYSA-N -1 1 291.363 3.069 20 0 CGADMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190846551 810652712 /nfs/dbraw/zinc/65/27/12/810652712.db2.gz OOZMYBCMQCJGBC-UHFFFAOYSA-N -1 1 290.388 3.180 20 0 CGADMM CCc1cc([N-]S(=O)(=O)c2ccncc2)c(C)cc1C ZINC001190903639 810654931 /nfs/dbraw/zinc/65/49/31/810654931.db2.gz JXFQQRBRYMJWID-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2ccncc2)c(C)cc1Cl ZINC001190886899 810655433 /nfs/dbraw/zinc/65/54/33/810655433.db2.gz GEGPLIZHIQOQCE-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1ccncc1 ZINC001190896319 810656154 /nfs/dbraw/zinc/65/61/54/810656154.db2.gz KEQKNGBKXQTPIF-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM CC(C)c1cc(F)ccc1[N-]S(=O)(=O)c1ccncc1 ZINC001190896788 810656296 /nfs/dbraw/zinc/65/62/96/810656296.db2.gz RUNPBMNUFLMHPO-UHFFFAOYSA-N -1 1 294.351 3.145 20 0 CGADMM Cc1cnc(NC(=O)c2ccc(C(C)(C)C)cc2[O-])nc1C ZINC001192313446 810785378 /nfs/dbraw/zinc/78/53/78/810785378.db2.gz DRLCQSYKTFAQSY-UHFFFAOYSA-N -1 1 299.374 3.349 20 0 CGADMM Cc1c(C)c(NC(=O)c2cc([O-])cc(F)c2F)ccc1O ZINC001192665944 810815333 /nfs/dbraw/zinc/81/53/33/810815333.db2.gz YTUHWUDVRBBHQE-UHFFFAOYSA-N -1 1 293.269 3.245 20 0 CGADMM O=C(Nc1ncccc1[O-])Oc1ccc(Cl)cc1 ZINC001194028048 811004821 /nfs/dbraw/zinc/00/48/21/811004821.db2.gz KHUDPSDTOONPAM-UHFFFAOYSA-N -1 1 264.668 3.052 20 0 CGADMM [O-]c1c(F)cc(Nc2cnc3c(c2)COCC3)cc1Cl ZINC001214480198 815415014 /nfs/dbraw/zinc/41/50/14/815415014.db2.gz ORIWBTGMQWJPAY-UHFFFAOYSA-N -1 1 294.713 3.396 20 0 CGADMM [O-]c1c(F)cc(Nc2ccc(CCO)cc2)cc1Cl ZINC001214486425 815416265 /nfs/dbraw/zinc/41/62/65/815416265.db2.gz GYTMXSWVOWIMJH-UHFFFAOYSA-N -1 1 281.714 3.463 20 0 CGADMM Cc1c2cn(-c3cc(F)c([O-])c(Cl)c3)nc2ccc1N ZINC001214486641 815416284 /nfs/dbraw/zinc/41/62/84/815416284.db2.gz QXIYBBPZTSETBY-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM Cc1nc2ccc(Nc3cc(F)c([O-])c(Cl)c3)cn2n1 ZINC001214482872 815416363 /nfs/dbraw/zinc/41/63/63/815416363.db2.gz SOFSBJTYYRDEFV-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM COC(=O)c1cc(Nc2cc(F)c([O-])c(Cl)c2)cn1C ZINC001214482732 815416570 /nfs/dbraw/zinc/41/65/70/815416570.db2.gz KYJOQILRXASAGC-UHFFFAOYSA-N -1 1 298.701 3.053 20 0 CGADMM COc1nc(C)ncc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482544 815416617 /nfs/dbraw/zinc/41/66/17/815416617.db2.gz APRPGNDINNMXRG-UHFFFAOYSA-N -1 1 283.690 3.035 20 0 CGADMM CC(C)(C)COC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001194355080 811058137 /nfs/dbraw/zinc/05/81/37/811058137.db2.gz CSLBMIIWQSMCFQ-UHFFFAOYSA-N -1 1 291.303 3.093 20 0 CGADMM CC[C@H](C)COC(=O)Nc1ccc([O-])c(F)c1F ZINC001194800085 811137374 /nfs/dbraw/zinc/13/73/74/811137374.db2.gz FEOSQDZBDJFKIS-ZETCQYMHSA-N -1 1 259.252 3.265 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cccc(F)c1CO ZINC001214618924 815433454 /nfs/dbraw/zinc/43/34/54/815433454.db2.gz JXGCCOKTNNWMRD-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc2occc2c1 ZINC001198817364 811545842 /nfs/dbraw/zinc/54/58/42/811545842.db2.gz ZLHUJRYVEDVOPB-UHFFFAOYSA-N -1 1 291.303 3.373 20 0 CGADMM CCCCCNC(=S)Nc1cc(F)c([O-])cc1F ZINC001200056521 811631501 /nfs/dbraw/zinc/63/15/01/811631501.db2.gz JSAFWGKJOLOLIR-UHFFFAOYSA-N -1 1 274.336 3.147 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc(C2CC2)nc1 ZINC001201708057 811942321 /nfs/dbraw/zinc/94/23/21/811942321.db2.gz HXHOJRUFOGBDQZ-UHFFFAOYSA-N -1 1 261.712 3.457 20 0 CGADMM O=C(Nc1ccccc1F)Nc1ccc([O-])c(F)c1F ZINC001202001479 811994206 /nfs/dbraw/zinc/99/42/06/811994206.db2.gz QGARMPPAVVUBHM-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])Nc1ccc(F)cc1F ZINC001202021881 811998491 /nfs/dbraw/zinc/99/84/91/811998491.db2.gz IDDVHSKBIJNYMI-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM O=C(Nc1cccc(F)c1)Nc1cc(F)cc(F)c1[O-] ZINC001202232347 812045849 /nfs/dbraw/zinc/04/58/49/812045849.db2.gz QTEDBKNGPSIQQW-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM CCOc1ccc(-c2nc(-c3cnccc3C)no2)c([O-])c1 ZINC001215241141 815498138 /nfs/dbraw/zinc/49/81/38/815498138.db2.gz IHWDLRBSKZZRAU-UHFFFAOYSA-N -1 1 297.314 3.211 20 0 CGADMM COc1ccc(NC(=O)Nc2c(F)cc([O-])cc2F)cc1 ZINC001202394367 812083933 /nfs/dbraw/zinc/08/39/33/812083933.db2.gz NREOLAQAMKFOFY-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM Cc1cc(-c2noc(-c3ccc([O-])cc3Cl)n2)ccn1 ZINC001215345906 815507768 /nfs/dbraw/zinc/50/77/68/815507768.db2.gz RMRAAOJKXIPPKK-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM Cc1nonc1[N-]c1cccnc1-c1ccccc1 ZINC001203647489 812413780 /nfs/dbraw/zinc/41/37/80/812413780.db2.gz LMLZLPDBDOBLGK-UHFFFAOYSA-N -1 1 252.277 3.184 20 0 CGADMM COc1ccc(-c2ccc([N-]c3nnco3)cc2)cc1 ZINC001203947917 812499510 /nfs/dbraw/zinc/49/95/10/812499510.db2.gz VNKFTNWCTTVXKD-UHFFFAOYSA-N -1 1 267.288 3.489 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(F)cc2CO)cc1F ZINC001215575622 815538528 /nfs/dbraw/zinc/53/85/28/815538528.db2.gz BJHJNCALFPDBLA-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM O=C1NCc2cccc(Nc3cc(F)c([O-])cc3F)c2N1 ZINC001215577035 815539805 /nfs/dbraw/zinc/53/98/05/815539805.db2.gz QRXRRDZPHQDHDG-UHFFFAOYSA-N -1 1 291.257 3.049 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccccc3Cl)no2)nn1 ZINC001205293896 812934741 /nfs/dbraw/zinc/93/47/41/812934741.db2.gz KHZIESOPPBEGAI-UHFFFAOYSA-N -1 1 274.667 3.113 20 0 CGADMM COc1cc(C)c(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001209871023 814177995 /nfs/dbraw/zinc/17/79/95/814177995.db2.gz CXXXCYSWKHTZAY-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM CSc1nc(Nc2cccc(Cl)c2O)cc(=O)[n-]1 ZINC001210215275 814344368 /nfs/dbraw/zinc/34/43/68/814344368.db2.gz CFEILESCFYEPHV-UHFFFAOYSA-N -1 1 283.740 3.007 20 0 CGADMM Nc1ccc(-c2cnn(-c3cccc(Cl)c3[O-])c2)cc1 ZINC001210223182 814350713 /nfs/dbraw/zinc/35/07/13/814350713.db2.gz NBZGXRIFCRLEDL-UHFFFAOYSA-N -1 1 285.734 3.481 20 0 CGADMM Cc1ccc([N-]c2nonc2N)cc1OCc1ccccc1 ZINC001210251828 814366552 /nfs/dbraw/zinc/36/65/52/814366552.db2.gz FWMVBOSMDPCOLC-UHFFFAOYSA-N -1 1 296.330 3.283 20 0 CGADMM CC(C)n1cc(Nc2cc([O-])c(F)c(F)c2)cn1 ZINC001210323559 814406412 /nfs/dbraw/zinc/40/64/12/814406412.db2.gz LSAIHAPCQMICSN-UHFFFAOYSA-N -1 1 253.252 3.191 20 0 CGADMM CC(C)n1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)n1 ZINC001210347185 814414891 /nfs/dbraw/zinc/41/48/91/814414891.db2.gz FLFMUFZOACWZCJ-UHFFFAOYSA-N -1 1 283.335 3.099 20 0 CGADMM [O-]c1cc(Nc2ccc3ncncc3c2)cc(F)c1F ZINC001210459150 814469500 /nfs/dbraw/zinc/46/95/00/814469500.db2.gz CLGLSKOHSAGZCD-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM CC(=O)c1cc(Nc2c(Cl)ccc([O-])c2Cl)ccn1 ZINC001210597409 814547862 /nfs/dbraw/zinc/54/78/62/814547862.db2.gz JPWSICLMJWUSDR-UHFFFAOYSA-N -1 1 297.141 3.462 20 0 CGADMM Oc1cccc([N-]c2nonc2C2CC2)c1Cl ZINC001210854038 814651903 /nfs/dbraw/zinc/65/19/03/814651903.db2.gz WHVYQCSKNXKPQV-UHFFFAOYSA-N -1 1 251.673 3.050 20 0 CGADMM [O-]c1c(Cl)cc(Nc2ccnnc2)cc1Cl ZINC001210924846 814676347 /nfs/dbraw/zinc/67/63/47/814676347.db2.gz UDHOANHGMKOKAA-UHFFFAOYSA-N -1 1 256.092 3.233 20 0 CGADMM COC(=O)c1c(C)c(C)sc1[N-]c1nccs1 ZINC001210989280 814700040 /nfs/dbraw/zinc/70/00/40/814700040.db2.gz DDFIFZCPEZFWNU-UHFFFAOYSA-N -1 1 268.363 3.352 20 0 CGADMM Cc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)nc1 ZINC001211014584 814708845 /nfs/dbraw/zinc/70/88/45/814708845.db2.gz VYDVJVSRIBYMML-UHFFFAOYSA-N -1 1 266.304 3.025 20 0 CGADMM CCOc1ccc(F)c(Nc2cc(=O)[n-]c(SC)n2)c1 ZINC001211052660 814724463 /nfs/dbraw/zinc/72/44/63/814724463.db2.gz BYFYTSYCWQIPHS-UHFFFAOYSA-N -1 1 295.339 3.186 20 0 CGADMM [O-]c1cccc(-c2ccc(N3CCCC3)nn2)c1Cl ZINC001242799213 823136067 /nfs/dbraw/zinc/13/60/67/823136067.db2.gz ZHDQTXFGYCZOGE-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM COc1nc(SC)ncc1-c1cccc([O-])c1Cl ZINC001242799909 823136572 /nfs/dbraw/zinc/13/65/72/823136572.db2.gz ADJZZKFVUMIEKN-UHFFFAOYSA-N -1 1 282.752 3.233 20 0 CGADMM CON(C)C(=O)c1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242801025 823137000 /nfs/dbraw/zinc/13/70/00/823137000.db2.gz RLZBTEIQIJPUQX-UHFFFAOYSA-N -1 1 291.734 3.346 20 0 CGADMM Cc1cc(-c2cccc([O-])c2Cl)c2ncnn2c1 ZINC001242801023 823137057 /nfs/dbraw/zinc/13/70/57/823137057.db2.gz WRGBKMLDTDDYHE-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM [O-]c1cccc(-c2nncc3cnccc32)c1Cl ZINC001242801821 823137174 /nfs/dbraw/zinc/13/71/74/823137174.db2.gz XXKQFLNYPVVDOY-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM COC(=O)c1cc(C)cc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001211174560 814841929 /nfs/dbraw/zinc/84/19/29/814841929.db2.gz MWLVWNDWHFUJRV-UHFFFAOYSA-N -1 1 299.286 3.168 20 0 CGADMM COc1cc(-c2cccc([O-])c2Cl)cnc1F ZINC001242802481 823137864 /nfs/dbraw/zinc/13/78/64/823137864.db2.gz JJXZZQJMAGUEGW-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM COc1cc(C)c(-c2cc(F)c([O-])cc2F)cn1 ZINC001211338409 814881615 /nfs/dbraw/zinc/88/16/15/814881615.db2.gz FHQHGGNMMLWGLJ-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM Cc1cc(C)c(-c2noc(-c3ccc(F)c([O-])c3)n2)cn1 ZINC001215843016 815612090 /nfs/dbraw/zinc/61/20/90/815612090.db2.gz WNRZZBDAQGYLJA-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM CSc1nc(Nc2c(O)cccc2Cl)cc(=O)[n-]1 ZINC001215982714 815650333 /nfs/dbraw/zinc/65/03/33/815650333.db2.gz ASFUEYYMDOXUJT-UHFFFAOYSA-N -1 1 283.740 3.007 20 0 CGADMM Nc1c(F)c(F)c(F)cc1Nc1ccc(F)c(F)c1[O-] ZINC001216011615 815660701 /nfs/dbraw/zinc/66/07/01/815660701.db2.gz OHEHTTWZRVXLDN-UHFFFAOYSA-N -1 1 290.191 3.414 20 0 CGADMM COc1ncc(Nc2cc([O-])c(Cl)cc2F)cc1O ZINC001216207867 815738339 /nfs/dbraw/zinc/73/83/39/815738339.db2.gz AYKUQXCAGLSNQN-UHFFFAOYSA-N -1 1 284.674 3.038 20 0 CGADMM Cc1cc(Cl)ncc1[N-]c1nonc1C1CC1 ZINC001216279603 815766302 /nfs/dbraw/zinc/76/63/02/815766302.db2.gz QADHHOADMSNICR-UHFFFAOYSA-N -1 1 250.689 3.047 20 0 CGADMM CCOc1cc(C)c(C)cc1-n1[n-]c(=O)c2cc(N)ccc21 ZINC001216378135 815804610 /nfs/dbraw/zinc/80/46/10/815804610.db2.gz KWGHBFOKISUOIY-UHFFFAOYSA-N -1 1 297.358 3.329 20 0 CGADMM CC1(C)CNc2cc(-c3cc(F)c([O-])cc3F)cnc21 ZINC001222085959 816344229 /nfs/dbraw/zinc/34/42/29/816344229.db2.gz FYTKAVAAKZCXAX-UHFFFAOYSA-N -1 1 276.286 3.436 20 0 CGADMM C[C@H](OCC[P@](=O)([O-])O)c1c(Cl)cccc1Cl ZINC001224602307 816832145 /nfs/dbraw/zinc/83/21/45/816832145.db2.gz PXUGJOZOMNOHLV-ZETCQYMHSA-N -1 1 299.090 3.249 20 0 CGADMM CC(C)(C)c1nc2[nH]cnc2c(-c2ccc(F)c([O-])c2)n1 ZINC001243048292 823225754 /nfs/dbraw/zinc/22/57/54/823225754.db2.gz NXTTVPQIDBJZTG-UHFFFAOYSA-N -1 1 286.310 3.114 20 0 CGADMM [O-]c1cc(-c2ncc3ccc(F)cc3n2)ccc1F ZINC001243050301 823227325 /nfs/dbraw/zinc/22/73/25/823227325.db2.gz WPZYDZWYRDSYCY-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCC[C@@H](C)[C@H](CC)OCCCC[P@](=O)([O-])O ZINC001225019607 816934523 /nfs/dbraw/zinc/93/45/23/816934523.db2.gz YTZBQAITWMBJCG-NEPJUHHUSA-N -1 1 266.318 3.176 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCCc2cccnc21 ZINC001225677081 817138741 /nfs/dbraw/zinc/13/87/41/817138741.db2.gz MWXFTACZULICEW-CQSZACIVSA-N -1 1 299.326 3.152 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H]1CCc2cccc(C)c21 ZINC001226242826 817307993 /nfs/dbraw/zinc/30/79/93/817307993.db2.gz UTCHHCJPBYGJDD-NSHDSACASA-N -1 1 288.372 3.149 20 0 CGADMM CC[C@@H]1OC(=O)C(Oc2cccc([O-])c2Cl)=C1C ZINC001226708675 817441042 /nfs/dbraw/zinc/44/10/42/817441042.db2.gz IEEXXCKWTMLAKP-VIFPVBQESA-N -1 1 268.696 3.034 20 0 CGADMM Cc1ccc(C)c2c1CCC[C@@H]2Oc1cnc[n-]c1=O ZINC001227049452 817542818 /nfs/dbraw/zinc/54/28/18/817542818.db2.gz USTFDBKCEOESBV-ZDUSSCGKSA-N -1 1 270.332 3.255 20 0 CGADMM CC(C)C[C@@H](Cc1ccccc1)Oc1cnc[n-]c1=O ZINC001227051733 817544397 /nfs/dbraw/zinc/54/43/97/817544397.db2.gz ODIFVFUQYIHKOZ-AWEZNQCLSA-N -1 1 272.348 3.218 20 0 CGADMM COc1ccccc1[C@@H](C)Oc1[n-]c(=O)nc(C)c1Cl ZINC001227117696 817563369 /nfs/dbraw/zinc/56/33/69/817563369.db2.gz YQBDTDRJAVKXBL-SECBINFHSA-N -1 1 294.738 3.293 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@H]1CCCC[C@@H]1C ZINC001227168781 817578473 /nfs/dbraw/zinc/57/84/73/817578473.db2.gz NPSYNCIFHRILIV-NHYWBVRUSA-N -1 1 278.348 3.179 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@H]1CCCC[C@H]1C ZINC001227168779 817578893 /nfs/dbraw/zinc/57/88/93/817578893.db2.gz NPSYNCIFHRILIV-ABAIWWIYSA-N -1 1 278.348 3.179 20 0 CGADMM CN1CCC[C@@H](Oc2cc(Cl)c(O)cc2Cl)C1 ZINC001227640480 817686206 /nfs/dbraw/zinc/68/62/06/817686206.db2.gz BWOANNBTBJDOTR-MRVPVSSYSA-N -1 1 276.163 3.172 20 0 CGADMM CSc1nc(O[C@@H](C)c2c(F)cccc2F)cc(=O)[n-]1 ZINC001228090409 817808692 /nfs/dbraw/zinc/80/86/92/817808692.db2.gz KLLVUWWEKXOCAX-ZETCQYMHSA-N -1 1 298.314 3.322 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)C(C)C ZINC001228556775 817938234 /nfs/dbraw/zinc/93/82/34/817938234.db2.gz RFHZDQHBUFLWGV-SECBINFHSA-N -1 1 252.310 3.114 20 0 CGADMM CCN(CC(=O)OC(C)(C)C)Cc1cccc([O-])c1Cl ZINC001232788687 818441473 /nfs/dbraw/zinc/44/14/73/818441473.db2.gz IIXLSLNNZZCJBP-UHFFFAOYSA-N -1 1 299.798 3.209 20 0 CGADMM O=C1CCN(Cc2ccc(F)c([O-])c2F)[C@@H]2CCCC[C@H]12 ZINC001232931622 818474879 /nfs/dbraw/zinc/47/48/79/818474879.db2.gz PDUSDMZDANCWAU-WCQYABFASA-N -1 1 295.329 3.004 20 0 CGADMM CN(Cc1ccc(F)cc1)Cc1ccc(F)c([O-])c1F ZINC001232931104 818475099 /nfs/dbraw/zinc/47/50/99/818475099.db2.gz JBBVZAAENSYFCH-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM [O-]c1c(F)ccc(CN2CCOc3ccccc3C2)c1F ZINC001232935459 818477531 /nfs/dbraw/zinc/47/75/31/818477531.db2.gz KSJUHKMRTCKNBO-UHFFFAOYSA-N -1 1 291.297 3.065 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCc2ccc(F)cc2C1 ZINC001233034158 818505650 /nfs/dbraw/zinc/50/56/50/818505650.db2.gz HBYONLNJMMRXAL-UHFFFAOYSA-N -1 1 292.741 3.138 20 0 CGADMM Nc1cc(-c2ccc([O-])c(F)c2F)ncc1C(F)(F)F ZINC001243341397 823355496 /nfs/dbraw/zinc/35/54/96/823355496.db2.gz KAQWZXMJZXONEO-UHFFFAOYSA-N -1 1 290.191 3.333 20 0 CGADMM [O-]c1ccc(-c2ccc3c(c2)OCO3)c(F)c1F ZINC001243342664 823357213 /nfs/dbraw/zinc/35/72/13/823357213.db2.gz NUWPAAOSGDTEAC-UHFFFAOYSA-N -1 1 250.200 3.066 20 0 CGADMM O=C1CCc2ccc(-c3ccc([O-])c(F)c3F)cc2N1 ZINC001243343049 823358641 /nfs/dbraw/zinc/35/86/41/823358641.db2.gz WHTYKGABDAUPJN-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM CCC(=O)NCc1cccc(-c2ccc([O-])c(F)c2F)c1 ZINC001243343245 823359018 /nfs/dbraw/zinc/35/90/18/823359018.db2.gz XYHYDOBNOKRVOD-UHFFFAOYSA-N -1 1 291.297 3.364 20 0 CGADMM [O-]c1ccc(-c2cc(F)c3nccn3c2)c(F)c1F ZINC001243343878 823359158 /nfs/dbraw/zinc/35/91/58/823359158.db2.gz RPLONJNYRPTRFQ-UHFFFAOYSA-N -1 1 264.206 3.124 20 0 CGADMM CCn1nnc2c1ccc(-c1ccc([O-])c(F)c1F)c2C ZINC001243344609 823360395 /nfs/dbraw/zinc/36/03/95/823360395.db2.gz IHEZUHVBFJSQQM-UHFFFAOYSA-N -1 1 289.285 3.410 20 0 CGADMM CCCC[C@H](CCC)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234564756 818882748 /nfs/dbraw/zinc/88/27/48/818882748.db2.gz PGXILVIBCZOMBA-NSHDSACASA-N -1 1 296.367 3.015 20 0 CGADMM CC[C@@H]1CCCC[C@@H]1Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234611185 818891061 /nfs/dbraw/zinc/89/10/61/818891061.db2.gz ZXLWDRVPSCMDRY-SKDRFNHKSA-N -1 1 297.326 3.061 20 0 CGADMM O=C([O-])c1c(Cl)ccc(-c2cccc3cncn32)c1F ZINC001236165288 819351486 /nfs/dbraw/zinc/35/14/86/819351486.db2.gz VNTVTNDDSPDHFI-UHFFFAOYSA-N -1 1 290.681 3.492 20 0 CGADMM CCOC(=O)c1nc2cc(C3=CCSCC3)ccc2[n-]1 ZINC001236368897 819438160 /nfs/dbraw/zinc/43/81/60/819438160.db2.gz NJHDXUAYRYURST-UHFFFAOYSA-N -1 1 288.372 3.260 20 0 CGADMM CCOC(=O)c1nc2ccc(C3=CCSCC3)cc2[n-]1 ZINC001236368897 819438163 /nfs/dbraw/zinc/43/81/63/819438163.db2.gz NJHDXUAYRYURST-UHFFFAOYSA-N -1 1 288.372 3.260 20 0 CGADMM Cc1ccc(F)c(-c2cc(-n3ccnc3)ccn2)c1[O-] ZINC001236390728 819447280 /nfs/dbraw/zinc/44/72/80/819447280.db2.gz HMRRGPSXVOTACU-UHFFFAOYSA-N -1 1 269.279 3.087 20 0 CGADMM Cc1ccc(F)c(-c2ccnc(N3CCCCC3)n2)c1[O-] ZINC001236393480 819448841 /nfs/dbraw/zinc/44/88/41/819448841.db2.gz VJFXAVJHGXHQMU-UHFFFAOYSA-N -1 1 287.338 3.287 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@]3(CCOC3)C2)cc1Cl ZINC001238146777 819942679 /nfs/dbraw/zinc/94/26/79/819942679.db2.gz OCMKXEXBCVCSNI-OAHLLOKOSA-N -1 1 299.773 3.187 20 0 CGADMM [O-]c1cc(-c2ccc(N3CCCC3)nn2)ccc1Cl ZINC001243576721 823451314 /nfs/dbraw/zinc/45/13/14/823451314.db2.gz LJZQYTFHOXRKCN-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM Cc1cc(-c2ccc(Cl)c([O-])c2)nc(-c2ncccn2)n1 ZINC001243577954 823452117 /nfs/dbraw/zinc/45/21/17/823452117.db2.gz GCOSJHBIXMTHCJ-UHFFFAOYSA-N -1 1 298.733 3.268 20 0 CGADMM Cc1cncnc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243605137 823464587 /nfs/dbraw/zinc/46/45/87/823464587.db2.gz TWAWVWRMOSBBRI-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM COCOc1ccc(-c2ccc(C(F)(F)F)cc2[O-])nc1 ZINC001243608934 823466394 /nfs/dbraw/zinc/46/63/94/823466394.db2.gz YWDZOCYEVVTYKA-UHFFFAOYSA-N -1 1 299.248 3.456 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1cc2c(nn1)CCC2 ZINC001243610922 823466859 /nfs/dbraw/zinc/46/68/59/823466859.db2.gz WHWGKWAEGQDMNG-UHFFFAOYSA-N -1 1 280.249 3.357 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1cnc(F)cn1 ZINC001243611088 823467238 /nfs/dbraw/zinc/46/72/38/823467238.db2.gz DTMZOPMRNZBRCU-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM Cc1cc(C)c(-c2ccc3c(c2)CC(=O)[N-]C3=O)c(C)c1 ZINC001239551727 820404288 /nfs/dbraw/zinc/40/42/88/820404288.db2.gz ZDCUXEYLRGTDRI-UHFFFAOYSA-N -1 1 279.339 3.091 20 0 CGADMM CSc1cc(-c2cc(F)ccc2[O-])nc(C)n1 ZINC001240693302 821248920 /nfs/dbraw/zinc/24/89/20/821248920.db2.gz LVOSULSAJONTEJ-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc4cc[nH]c4c3)ccc2[n-]1 ZINC001240797162 821339934 /nfs/dbraw/zinc/33/99/34/821339934.db2.gz FPTKDHSDKZLJPR-UHFFFAOYSA-N -1 1 291.310 3.498 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc4cc[nH]c4c3)cc2[n-]1 ZINC001240797162 821339941 /nfs/dbraw/zinc/33/99/41/821339941.db2.gz FPTKDHSDKZLJPR-UHFFFAOYSA-N -1 1 291.310 3.498 20 0 CGADMM CCOC(=O)c1c(C)ccnc1-c1ccc([O-])c(F)c1 ZINC001240781748 821322082 /nfs/dbraw/zinc/32/20/82/821322082.db2.gz HTWWUUBCNAFCBM-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM [O-]c1ccc(-c2ccc(C(F)(F)F)nn2)cc1F ZINC001240783499 821323677 /nfs/dbraw/zinc/32/36/77/821323677.db2.gz SRBRRUDKCRCBGS-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM CN1CCN(c2ccc(-c3cccc([S-])c3)cc2)CC1 ZINC001240851941 821371199 /nfs/dbraw/zinc/37/11/99/821371199.db2.gz FUCBGPJZUHCIGK-UHFFFAOYSA-N -1 1 284.428 3.394 20 0 CGADMM COCc1ccc(-c2ccc3[n-]c(C(=O)OC)nc3c2)cc1 ZINC001240952882 821439202 /nfs/dbraw/zinc/43/92/02/821439202.db2.gz QLTIGHNDVDOXJY-UHFFFAOYSA-N -1 1 296.326 3.163 20 0 CGADMM COCc1ccc(-c2ccc3nc(C(=O)OC)[n-]c3c2)cc1 ZINC001240952882 821439207 /nfs/dbraw/zinc/43/92/07/821439207.db2.gz QLTIGHNDVDOXJY-UHFFFAOYSA-N -1 1 296.326 3.163 20 0 CGADMM Cc1cc2nc[nH]c2cc1-c1ccc(CC(=O)[O-])cc1 ZINC001240973419 821457137 /nfs/dbraw/zinc/45/71/37/821457137.db2.gz JRGTVSHXXVLXAT-UHFFFAOYSA-N -1 1 266.300 3.165 20 0 CGADMM CN(C)Cc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1F ZINC001240976856 821460518 /nfs/dbraw/zinc/46/05/18/821460518.db2.gz BGVMCQNEELLURZ-UHFFFAOYSA-N -1 1 287.334 3.181 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1-c1cccn2cncc12 ZINC001241003038 821482447 /nfs/dbraw/zinc/48/24/47/821482447.db2.gz KTEOVSYCSZEEGJ-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM CCCCOc1ccccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001241021619 821497024 /nfs/dbraw/zinc/49/70/24/821497024.db2.gz ADHQEFCNJDSJOQ-UHFFFAOYSA-N -1 1 295.346 3.108 20 0 CGADMM CCCCOc1ccccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001241021619 821497031 /nfs/dbraw/zinc/49/70/31/821497031.db2.gz ADHQEFCNJDSJOQ-UHFFFAOYSA-N -1 1 295.346 3.108 20 0 CGADMM Cc1ccc(-c2ncc(C)c(NCC3CC3)n2)c([O-])c1 ZINC001241028697 821504077 /nfs/dbraw/zinc/50/40/77/821504077.db2.gz RLMOTAIZFFPEON-UHFFFAOYSA-N -1 1 269.348 3.288 20 0 CGADMM Cc1ccc(-c2nccc(-c3cccnc3F)n2)c([O-])c1 ZINC001241035666 821511662 /nfs/dbraw/zinc/51/16/62/821511662.db2.gz CNQVMTZSNOLMPK-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM CCOC(=O)c1cc(F)cnc1-c1c(F)cc([O-])cc1F ZINC001241117488 821571861 /nfs/dbraw/zinc/57/18/61/821571861.db2.gz QRHJDAGBCVUTJI-UHFFFAOYSA-N -1 1 297.232 3.048 20 0 CGADMM Nc1cc(-c2c(F)cc([O-])cc2F)ncc1C(F)(F)F ZINC001241118204 821573122 /nfs/dbraw/zinc/57/31/22/821573122.db2.gz NMIAQIKFGHQODS-UHFFFAOYSA-N -1 1 290.191 3.333 20 0 CGADMM COC(=O)Cc1ccccc1-c1c(F)cc([O-])cc1F ZINC001241121717 821578952 /nfs/dbraw/zinc/57/89/52/821578952.db2.gz CTNKHDVCKZTMAQ-UHFFFAOYSA-N -1 1 278.254 3.053 20 0 CGADMM CCOC(=O)c1ccc(-c2c(F)cc([O-])cc2F)c(C)n1 ZINC001241122835 821580218 /nfs/dbraw/zinc/58/02/18/821580218.db2.gz NQNXBASIHHOJTK-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COc1cccc(-c2c(F)cc([O-])cc2F)c1F ZINC001241123221 821580494 /nfs/dbraw/zinc/58/04/94/821580494.db2.gz WFGODTXOWSFYQD-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CC(C)n1cc(-c2c(F)cc([O-])cc2F)ccc1=O ZINC001241123042 821580428 /nfs/dbraw/zinc/58/04/28/821580428.db2.gz RNJURYMYGXNGFO-UHFFFAOYSA-N -1 1 265.259 3.080 20 0 CGADMM COC(=O)c1ccc(OC)c(-c2c(F)cc([O-])cc2F)c1 ZINC001241123053 821580524 /nfs/dbraw/zinc/58/05/24/821580524.db2.gz SDTJXESJOBTYTG-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM CN(C)Cc1cc(-c2ccc(F)c(C(=O)[O-])c2)ccc1F ZINC001241247639 821669114 /nfs/dbraw/zinc/66/91/14/821669114.db2.gz UPVKBGIBBCQYHZ-UHFFFAOYSA-N -1 1 291.297 3.392 20 0 CGADMM Cc1ccc2nc(-c3cc([O-])cc(F)c3)ncc2c1 ZINC001241256518 821677112 /nfs/dbraw/zinc/67/71/12/821677112.db2.gz XCZYKFJNKIMTNB-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM [O-]c1ccc(F)c(-c2cc(-c3ccco3)ncn2)c1F ZINC001241290135 821706128 /nfs/dbraw/zinc/70/61/28/821706128.db2.gz LLZVVYXVWIJLNF-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM [O-]c1ccc(F)c(-c2nncc3ccccc32)c1F ZINC001241290648 821706195 /nfs/dbraw/zinc/70/61/95/821706195.db2.gz ACTFYSBTLWKSME-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Cc1nc(-c2ccccn2)cc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290825 821707830 /nfs/dbraw/zinc/70/78/30/821707830.db2.gz UVBVQGOXMKYCFE-UHFFFAOYSA-N -1 1 299.280 3.498 20 0 CGADMM CCCNc1nc(-c2c(F)ccc([O-])c2F)ncc1C ZINC001241291014 821707946 /nfs/dbraw/zinc/70/79/46/821707946.db2.gz TZZCLMBZAFLXNG-UHFFFAOYSA-N -1 1 279.290 3.258 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc3ccc(F)cc3n2)c1F ZINC001241290766 821708215 /nfs/dbraw/zinc/70/82/15/821708215.db2.gz CWAXJPWDHTXINW-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ncnc2cccnc21 ZINC001242125986 822886557 /nfs/dbraw/zinc/88/65/57/822886557.db2.gz DTWKHBGENPRMOM-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ncnc2[nH]cc(F)c21 ZINC001242126156 822887330 /nfs/dbraw/zinc/88/73/30/822887330.db2.gz HNKDDVDPJCRUCS-UHFFFAOYSA-N -1 1 297.211 3.440 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ccnc(F)n1 ZINC001242131274 822888739 /nfs/dbraw/zinc/88/87/39/822888739.db2.gz CENVQPJBVJANEP-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM CCN(C)c1cc(-c2cc(C(F)(F)F)ccc2[O-])ncn1 ZINC001242131578 822888804 /nfs/dbraw/zinc/88/88/04/822888804.db2.gz HETCOQSNUICWFI-UHFFFAOYSA-N -1 1 297.280 3.324 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ccc2c(n1)NCCO2 ZINC001242145167 822893437 /nfs/dbraw/zinc/89/34/37/822893437.db2.gz GBBXTRICXUIPEI-UHFFFAOYSA-N -1 1 296.248 3.277 20 0 CGADMM [O-]c1ccc(-c2cncc3nccnc32)cc1C(F)(F)F ZINC001242161987 822900561 /nfs/dbraw/zinc/90/05/61/822900561.db2.gz HXJBKIBLDGUMTL-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM COCc1ccc(-c2ccc(F)cc2[O-])c(F)c1 ZINC001242218968 822915687 /nfs/dbraw/zinc/91/56/87/822915687.db2.gz FTMHYHHEHXBPHY-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM O=c1c(-c2ccc(F)cc2[O-])cccn1C1CCC1 ZINC001242219709 822916462 /nfs/dbraw/zinc/91/64/62/822916462.db2.gz MLGXGYDNZROSRQ-UHFFFAOYSA-N -1 1 259.280 3.085 20 0 CGADMM COC(=O)c1c(C)cccc1-c1cccc(F)c1[O-] ZINC001242350415 822960314 /nfs/dbraw/zinc/96/03/14/822960314.db2.gz FBLLRDZYUCFGRR-UHFFFAOYSA-N -1 1 260.264 3.293 20 0 CGADMM COc1ccc(C(=O)[O-])cc1-c1nc(C)cc2[nH]ccc21 ZINC001242388338 822978297 /nfs/dbraw/zinc/97/82/97/822978297.db2.gz KTPHQTCCFDTIJH-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM O=C(CC1(C(F)(F)F)CC1)Nc1cc([O-])c(F)cc1F ZINC001339538199 936375899 /nfs/dbraw/zinc/37/58/99/936375899.db2.gz AMGAIDFGCZTDEM-UHFFFAOYSA-N -1 1 295.207 3.342 20 0 CGADMM CC[C@@H](C)n1nccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001347038084 936867957 /nfs/dbraw/zinc/86/79/57/936867957.db2.gz YQWQZSUVUZUXFA-MRVPVSSYSA-N -1 1 295.289 3.090 20 0 CGADMM C[C@H](OC1CCCCC1)C(=O)Nc1cccc(F)c1[O-] ZINC001348410684 936920113 /nfs/dbraw/zinc/92/01/13/936920113.db2.gz QNOJMRJIWUGWFP-JTQLQIEISA-N -1 1 281.327 3.208 20 0 CGADMM CCc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1F ZINC001348815109 936934717 /nfs/dbraw/zinc/93/47/17/936934717.db2.gz PBQKVNDIPNAODV-LLVKDONJSA-N -1 1 254.692 3.099 20 0 CGADMM Cc1cccc2c1C(=O)N[C@@H](c1cccc(Cl)c1[O-])N2 ZINC000124745484 926951240 /nfs/dbraw/zinc/95/12/40/926951240.db2.gz OACGASXATKVFQY-AWEZNQCLSA-N -1 1 288.734 3.208 20 0 CGADMM Cc1cnc(S[C@@H]2CCCc3cccnc32)[n-]c1=O ZINC001364615360 937233605 /nfs/dbraw/zinc/23/36/05/937233605.db2.gz WLHWEQKOWGRQCH-LLVKDONJSA-N -1 1 273.361 3.055 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCC2CCC2)c1 ZINC000750395339 928815258 /nfs/dbraw/zinc/81/52/58/928815258.db2.gz MWLYPOGXSSJQRJ-UHFFFAOYSA-N -1 1 290.359 3.261 20 0 CGADMM CCCCCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001440528740 937331169 /nfs/dbraw/zinc/33/11/69/937331169.db2.gz KNLLLAWPOBNVFQ-UHFFFAOYSA-N -1 1 273.332 3.171 20 0 CGADMM O=C(Nc1cccc2cnccc21)c1cccc([O-])c1F ZINC001440869249 937334671 /nfs/dbraw/zinc/33/46/71/937334671.db2.gz UEQQGRGCAQCCIL-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CN(C(=O)c1cc(Cl)ccc1[O-])C(C1CC1)C1CC1 ZINC001442670842 937343757 /nfs/dbraw/zinc/34/37/57/937343757.db2.gz ZORXAFWQODYJSD-UHFFFAOYSA-N -1 1 279.767 3.306 20 0 CGADMM CC(C)C[C@@H]1C[C@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001451145430 937389225 /nfs/dbraw/zinc/38/92/25/937389225.db2.gz VUKOIOLKLPPTTQ-TZMCWYRMSA-N -1 1 284.359 3.105 20 0 CGADMM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001452906990 937398962 /nfs/dbraw/zinc/39/89/62/937398962.db2.gz WXCQUURXQZDKNZ-DZGCQCFKSA-N -1 1 285.318 3.126 20 0 CGADMM C/C(=C\C(=O)Nc1cccc(F)c1[O-])c1ccco1 ZINC001454770803 937411973 /nfs/dbraw/zinc/41/19/73/937411973.db2.gz OLURCDXYTFYZGR-CMDGGOBGSA-N -1 1 261.252 3.166 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2c[nH]nc2Cl)c([O-])c1 ZINC001457777169 937445960 /nfs/dbraw/zinc/44/59/60/937445960.db2.gz NVATVQNXNPKVRK-UHFFFAOYSA-N -1 1 279.727 3.144 20 0 CGADMM CCC(CC)[C@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001460819788 937546764 /nfs/dbraw/zinc/54/67/64/937546764.db2.gz UHNCUEYZLNIPAB-JTQLQIEISA-N -1 1 291.395 3.072 20 0 CGADMM Cc1ccc(CN(C)Cc2ccc([O-])c(F)c2F)o1 ZINC001462038742 937614110 /nfs/dbraw/zinc/61/41/10/937614110.db2.gz FFMXDLBBAPBHLS-UHFFFAOYSA-N -1 1 267.275 3.204 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCc2cc(F)ccc21 ZINC001306799765 932760809 /nfs/dbraw/zinc/76/08/09/932760809.db2.gz QJPGKURPHVBRIF-ZDUSSCGKSA-N -1 1 289.281 3.339 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001463803904 937680882 /nfs/dbraw/zinc/68/08/82/937680882.db2.gz ANSJZHJJTCCTTR-HZSPNIEDSA-N -1 1 288.391 3.184 20 0 CGADMM CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001464077910 937685842 /nfs/dbraw/zinc/68/58/42/937685842.db2.gz NMYHARMMAMHGAS-SWLSCSKDSA-N -1 1 289.375 3.212 20 0 CGADMM O=C(NC1(c2ccc(F)cc2)CC1)c1ccc([O-])cc1F ZINC001465704845 937703075 /nfs/dbraw/zinc/70/30/75/937703075.db2.gz XNJZWJFNXDSBEX-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1nccc2occc21 ZINC001466631604 937710982 /nfs/dbraw/zinc/71/09/82/937710982.db2.gz QCYLDDRYZXAQSF-UHFFFAOYSA-N -1 1 288.690 3.439 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccc(Cl)o1 ZINC001468746069 937731222 /nfs/dbraw/zinc/73/12/22/937731222.db2.gz ZTQRQKMPIPYKAG-UHFFFAOYSA-N -1 1 273.622 3.169 20 0 CGADMM CC[C@H](NC(=O)c1ccc(F)c([O-])c1)[C@@H]1CC1(C)C ZINC001469142231 937735442 /nfs/dbraw/zinc/73/54/42/937735442.db2.gz KHHWYXUSKGJJLA-JQWIXIFHSA-N -1 1 265.328 3.086 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1cc2ncccc2o1 ZINC001469787815 937743879 /nfs/dbraw/zinc/74/38/79/937743879.db2.gz QUBSDPWQLOLGNZ-UHFFFAOYSA-N -1 1 285.328 3.197 20 0 CGADMM C[C@H](Cc1cccc(F)c1)C(=O)[N-]Oc1ccc(F)cc1 ZINC001469938152 937746001 /nfs/dbraw/zinc/74/60/01/937746001.db2.gz UYVIJKHYGMEWMV-LLVKDONJSA-N -1 1 291.297 3.254 20 0 CGADMM CC(C)C(=O)c1ccc([C@@H](C)C(=O)[N-]OC(C)(C)C)cc1 ZINC001321465219 934187008 /nfs/dbraw/zinc/18/70/08/934187008.db2.gz FOOHORDVTUFVGL-GFCCVEGCSA-N -1 1 291.391 3.475 20 0 CGADMM C[C@H]1CCC[C@H](CNC(=O)c2ccc3ccccc3c2[O-])O1 ZINC001470215097 937749525 /nfs/dbraw/zinc/74/95/25/937749525.db2.gz SGSGJRRMLJOPLF-GXTWGEPZSA-N -1 1 299.370 3.233 20 0 CGADMM O=C(Nc1ccc(O)cc1O)c1cc2ccccc2cc1[O-] ZINC001471637024 937768125 /nfs/dbraw/zinc/76/81/25/937768125.db2.gz SWDRHQKYRNSIAE-UHFFFAOYSA-N -1 1 295.294 3.209 20 0 CGADMM O=C(NC[C@H]1C[C@@H]1Cc1ccccc1)c1ccc(F)c([O-])c1 ZINC001472374159 937775832 /nfs/dbraw/zinc/77/58/32/937775832.db2.gz MOMQDYZMFPVKDZ-LSDHHAIUSA-N -1 1 299.345 3.140 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001329559193 935227431 /nfs/dbraw/zinc/22/74/31/935227431.db2.gz YMHOBKZZTGDGKG-HLTSFMKQSA-N -1 1 285.265 3.151 20 0 CGADMM CC(C)=CC[C@H](NCc1cnc(C(C)C)s1)C(=O)[O-] ZINC001329685008 935239483 /nfs/dbraw/zinc/23/94/83/935239483.db2.gz CKFLAFXLTBBFBH-LBPRGKRZSA-N -1 1 282.409 3.166 20 0 CGADMM Cc1cc(CSc2ncc(C)c(=O)[n-]2)cs1 ZINC001335137016 936131173 /nfs/dbraw/zinc/13/11/73/936131173.db2.gz HCTHSVOMVRETMQ-UHFFFAOYSA-N -1 1 252.364 3.153 20 0 CGADMM CC(C)(C)[C@@H]1CCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001521089153 938029855 /nfs/dbraw/zinc/02/98/55/938029855.db2.gz XPLFOGDAFWAFES-ZDUSSCGKSA-N -1 1 296.798 3.376 20 0 CGADMM C[C@H]([C@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1)C(C)(C)C ZINC001538229931 938116448 /nfs/dbraw/zinc/11/64/48/938116448.db2.gz NGWDUUPRBMMVTB-NKWVEPMBSA-N -1 1 292.305 3.080 20 0 CGADMM CC(C)c1cnc(NC(=O)c2cccc([O-])c2F)s1 ZINC001543968521 938142782 /nfs/dbraw/zinc/14/27/82/938142782.db2.gz DCQVQSXJVKTZFX-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1F ZINC001545336375 938149350 /nfs/dbraw/zinc/14/93/50/938149350.db2.gz XEXPLUKQRKSBNX-AAEUAGOBSA-N -1 1 297.395 3.325 20 0 CGADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001545601399 938150057 /nfs/dbraw/zinc/15/00/57/938150057.db2.gz BZSNINZDOUGDNV-RKDXNWHRSA-N -1 1 287.281 3.424 20 0 CGADMM C[C@H](NC(=O)c1ncccc1[O-])c1cc2ccccc2s1 ZINC001556218205 938202483 /nfs/dbraw/zinc/20/24/83/938202483.db2.gz WLPZQJHHYGWARE-JTQLQIEISA-N -1 1 298.367 3.493 20 0 CGADMM O=C(Nc1cccc(-c2ccccc2)c1)c1cnncc1[O-] ZINC001556508467 938204033 /nfs/dbraw/zinc/20/40/33/938204033.db2.gz ZYGZXPUGOJELIB-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM COCc1ccccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001556592111 938204417 /nfs/dbraw/zinc/20/44/17/938204417.db2.gz YCFQENJRKFWRIU-UHFFFAOYSA-N -1 1 293.269 3.069 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cc2ccccc2[nH]1 ZINC001557086326 938207759 /nfs/dbraw/zinc/20/77/59/938207759.db2.gz OAYPJLYDPMXLNS-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@H]2CC3CCC2CC3)n1 ZINC001559400487 938226169 /nfs/dbraw/zinc/22/61/69/938226169.db2.gz GRYVHRUBMPJCDX-VQXHTEKXSA-N -1 1 280.393 3.115 20 0 CGADMM CC[C@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)CCCO1 ZINC000381622248 971767295 /nfs/dbraw/zinc/76/72/95/971767295.db2.gz SKESBFZAPZXXQN-LBPRGKRZSA-N -1 1 297.782 3.039 20 0 CGADMM Cc1ccoc1CN(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000383406177 971868499 /nfs/dbraw/zinc/86/84/99/971868499.db2.gz CRZGHOKKRUIGEO-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM Cc1ccccc1CN(C)Cc1ccc(C(=O)[O-])cc1F ZINC000062755191 957610373 /nfs/dbraw/zinc/61/03/73/957610373.db2.gz OUTGRSRHHUJXTR-UHFFFAOYSA-N -1 1 287.334 3.464 20 0 CGADMM Cc1ccc(CNC(=O)Nc2cc(F)c(F)cc2[O-])cc1 ZINC001185402961 957889467 /nfs/dbraw/zinc/88/94/67/957889467.db2.gz LRFVQTIQVPDNSJ-UHFFFAOYSA-N -1 1 292.285 3.301 20 0 CGADMM Cc1cc([C@@H](NCc2ccccc2F)C(=O)[O-])ccc1F ZINC000211798706 959696756 /nfs/dbraw/zinc/69/67/56/959696756.db2.gz ZEDWEPMPTIGDRI-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM Cc1oc(CNCc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000232423392 960265711 /nfs/dbraw/zinc/26/57/11/960265711.db2.gz PNKQNHSMEMLHHP-UHFFFAOYSA-N -1 1 279.723 3.229 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000235526071 960452871 /nfs/dbraw/zinc/45/28/71/960452871.db2.gz CKLOVWCTZYWVEE-JTQLQIEISA-N -1 1 284.315 3.009 20 0 CGADMM Cc1noc(C)c1[C@H](C)NCc1cc(C(=O)[O-])sc1C ZINC000235526851 960453558 /nfs/dbraw/zinc/45/35/58/960453558.db2.gz WDPRULKEYSMGLS-ZETCQYMHSA-N -1 1 294.376 3.210 20 0 CGADMM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cc(F)ccc1[O-] ZINC001566146794 960888556 /nfs/dbraw/zinc/88/85/56/960888556.db2.gz FSZBSHVLQREYGP-JSGCOSHPSA-N -1 1 277.339 3.230 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2c(C)cccc2O)c1 ZINC001566777579 961001017 /nfs/dbraw/zinc/00/10/17/961001017.db2.gz GBZDJISCZQSEKR-UHFFFAOYSA-N -1 1 289.356 3.380 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@]2(C)CCCC[C@H]2C)c1 ZINC001570095323 961905692 /nfs/dbraw/zinc/90/56/92/961905692.db2.gz OBLDQIWRZMYLQN-PXAZEXFGSA-N -1 1 289.375 3.212 20 0 CGADMM CC(C)CCSCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001570464753 961972654 /nfs/dbraw/zinc/97/26/54/961972654.db2.gz PAGZLYCUDFZFQU-UHFFFAOYSA-N -1 1 289.347 3.388 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cccc2cc[nH]c21 ZINC001570464420 961973162 /nfs/dbraw/zinc/97/31/62/961973162.db2.gz AZKYIGMVMBDOIQ-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC001570694505 962039884 /nfs/dbraw/zinc/03/98/84/962039884.db2.gz CQAGAYUJHHGAHA-TZMCWYRMSA-N -1 1 285.318 3.065 20 0 CGADMM CC(C)(C(=O)Nc1cccc(F)c1[O-])c1cccc(O)c1 ZINC001587389713 962753612 /nfs/dbraw/zinc/75/36/12/962753612.db2.gz PWNCKDDHLOLBAQ-UHFFFAOYSA-N -1 1 289.306 3.153 20 0 CGADMM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1ccc([O-])cn1 ZINC001584735561 962947738 /nfs/dbraw/zinc/94/77/38/962947738.db2.gz AGAKKIHSZNQTBQ-TZMCWYRMSA-N -1 1 276.380 3.122 20 0 CGADMM CC(C)(F)CNC(=O)c1ccc2ccccc2c1[O-] ZINC001586793239 963137520 /nfs/dbraw/zinc/13/75/20/963137520.db2.gz JTRMJPUKBSPCHR-UHFFFAOYSA-N -1 1 261.296 3.023 20 0 CGADMM CCCCC[C@H](CC)C(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC001587265795 963180583 /nfs/dbraw/zinc/18/05/83/963180583.db2.gz VLKQLWBGQCCIQN-NSHDSACASA-N -1 1 295.383 3.131 20 0 CGADMM CCCCC[C@H](CC)C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001587265795 963180589 /nfs/dbraw/zinc/18/05/89/963180589.db2.gz VLKQLWBGQCCIQN-NSHDSACASA-N -1 1 295.383 3.131 20 0 CGADMM CCC[C@@H](NCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC001595599777 981573560 /nfs/dbraw/zinc/57/35/60/981573560.db2.gz BIIBONKLGLBQHK-GFCCVEGCSA-N -1 1 290.388 3.472 20 0 CGADMM CCOc1cccc(Cl)c1CN1CCC(C(=O)[O-])CC1 ZINC001597155858 986954626 /nfs/dbraw/zinc/95/46/26/986954626.db2.gz UEXLZXHBMVPWJL-UHFFFAOYSA-N -1 1 297.782 3.035 20 0 CGADMM CCOc1cccc(CN[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001597155926 986956226 /nfs/dbraw/zinc/95/62/26/986956226.db2.gz WDFAWMHYALTBBY-NSHDSACASA-N -1 1 289.331 3.227 20 0 CGADMM CSC1CCN(Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)CC1 ZINC001599791402 988015208 /nfs/dbraw/zinc/01/52/08/988015208.db2.gz VPCJZCIFDAGADN-UHFFFAOYSA-N -1 1 296.436 3.164 20 0 CGADMM C[C@@H](N[C@@H](C)c1cncs1)c1cc(C(=O)[O-])cs1 ZINC001593196194 994153325 /nfs/dbraw/zinc/15/33/25/994153325.db2.gz GGUJLKUZHZEZGO-SFYZADRCSA-N -1 1 282.390 3.315 20 0 CGADMM CC1(C)CN(Cc2c[nH]c(C(=O)[O-])c2)[C@@H]1c1cccs1 ZINC001593942423 996967612 /nfs/dbraw/zinc/96/76/12/996967612.db2.gz JYIRABXMGKCLSP-CYBMUJFWSA-N -1 1 290.388 3.358 20 0 CGADMM CCCc1ccc(CN[C@@H](COC(C)(C)C)C(=O)[O-])s1 ZINC000621247125 349480540 /nfs/dbraw/zinc/48/05/40/349480540.db2.gz HBAHSQANRGIVHE-ZDUSSCGKSA-N -1 1 299.436 3.059 20 0 CGADMM CC[C@@H](NCc1cccc([O-])c1Cl)C(=O)OC(C)(C)C ZINC000590186590 346835505 /nfs/dbraw/zinc/83/55/05/346835505.db2.gz RLVYNPBRAPXYAP-LLVKDONJSA-N -1 1 299.798 3.256 20 0 CGADMM O=C(NCCCC1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000622381013 349675652 /nfs/dbraw/zinc/67/56/52/349675652.db2.gz AZVQUFDLJCBEDX-UHFFFAOYSA-N -1 1 287.281 3.331 20 0 CGADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])C(C)(C)C ZINC000436564400 529560547 /nfs/dbraw/zinc/56/05/47/529560547.db2.gz HDTIURJIUXFPBO-LBPRGKRZSA-N -1 1 253.317 3.086 20 0 CGADMM Cc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000005214415 344861219 /nfs/dbraw/zinc/86/12/19/344861219.db2.gz WJKXPTDMRPVLAO-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM Cn1ccc2c1cccc2NC(=O)c1ccccc1[O-] ZINC000059080762 345206330 /nfs/dbraw/zinc/20/63/30/345206330.db2.gz IZYXQYAMONVOFS-UHFFFAOYSA-N -1 1 266.300 3.136 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)sc1C ZINC000091051830 345802123 /nfs/dbraw/zinc/80/21/23/345802123.db2.gz HMOHYZXHZZDFCO-UHFFFAOYSA-N -1 1 299.421 3.012 20 0 CGADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1cc(Cl)ccc1Cl ZINC000092940725 345863519 /nfs/dbraw/zinc/86/35/19/345863519.db2.gz RWDHOVWFQZLWJX-KCJUWKMLSA-N -1 1 288.174 3.288 20 0 CGADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000166849099 232263977 /nfs/dbraw/zinc/26/39/77/232263977.db2.gz AGIZKODKVBABTO-MXWKQRLJSA-N -1 1 265.328 3.038 20 0 CGADMM O=C(NCCCOC1CCCCC1)c1c([O-])cccc1F ZINC000163667017 232258396 /nfs/dbraw/zinc/25/83/96/232258396.db2.gz VFYNPYRXLCCSTL-UHFFFAOYSA-N -1 1 295.354 3.001 20 0 CGADMM O=C(NC[C@H]1Cc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000108282384 345936888 /nfs/dbraw/zinc/93/68/88/345936888.db2.gz ALOIYRRMIRENJY-LLVKDONJSA-N -1 1 287.746 3.115 20 0 CGADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000211386551 346286440 /nfs/dbraw/zinc/28/64/40/346286440.db2.gz IFBHSAMIJUGRLU-HNNXBMFYSA-N -1 1 273.307 3.050 20 0 CGADMM COc1ccc(Cl)cc1C[N@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000229296415 346317019 /nfs/dbraw/zinc/31/70/19/346317019.db2.gz MABGWGZKCCCPQB-GXFFZTMASA-N -1 1 297.782 3.034 20 0 CGADMM C[C@H](c1ccc2ccccc2c1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000317033140 346485605 /nfs/dbraw/zinc/48/56/05/346485605.db2.gz VHOLLECMRJDNBU-CXAGYDPISA-N -1 1 299.370 3.076 20 0 CGADMM COc1ccc(C(=O)Nc2c([O-])cccc2F)c(Cl)c1 ZINC000608365908 348301585 /nfs/dbraw/zinc/30/15/85/348301585.db2.gz CSUHRIRVOCREOM-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ncc2ccccc2c1[O-] ZINC000611746671 348473103 /nfs/dbraw/zinc/47/31/03/348473103.db2.gz BSGWERIMOBPCJW-YPMHNXCESA-N -1 1 284.359 3.201 20 0 CGADMM C[C@H](N(C)C(=O)c1ncc2ccccc2c1[O-])C1(C)CC1 ZINC000612084178 348492674 /nfs/dbraw/zinc/49/26/74/348492674.db2.gz HJBQZUPMTJLBOL-NSHDSACASA-N -1 1 284.359 3.201 20 0 CGADMM CO[C@@H](C(=O)Nc1ccc(F)cc1[O-])C1CCCCC1 ZINC000613028118 348559952 /nfs/dbraw/zinc/55/99/52/348559952.db2.gz NVAOEEWYWHDNOL-CQSZACIVSA-N -1 1 281.327 3.065 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(OC(F)(F)F)cc2)c1=O ZINC000614185565 348656949 /nfs/dbraw/zinc/65/69/49/348656949.db2.gz OXUMXEDJLIHWJQ-NSHDSACASA-N -1 1 286.253 3.334 20 0 CGADMM CC(=O)[C@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000615525786 348746895 /nfs/dbraw/zinc/74/68/95/348746895.db2.gz ZGBIPOCAZXPJLW-MRXNPFEDSA-N -1 1 297.354 3.129 20 0 CGADMM C[C@@H]1CC(C)(C)CN1C(=O)c1ncc2ccccc2c1[O-] ZINC000616294425 348807432 /nfs/dbraw/zinc/80/74/32/348807432.db2.gz YWRYXZZTWNYSTE-LLVKDONJSA-N -1 1 284.359 3.201 20 0 CGADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)ccc1[O-] ZINC000620433597 349371916 /nfs/dbraw/zinc/37/19/16/349371916.db2.gz DMJXJMHHALNFNJ-CLYYMRHHSA-N -1 1 279.767 3.449 20 0 CGADMM CCO[C@H](c1nc(-c2ccc([O-])cc2F)no1)C(C)C ZINC000624576652 350066643 /nfs/dbraw/zinc/06/66/43/350066643.db2.gz KVEUISQBIBJFDC-LBPRGKRZSA-N -1 1 280.299 3.315 20 0 CGADMM CCCCCc1cc(C(=O)Nc2cccc(F)c2[O-])n[nH]1 ZINC000628959831 350625567 /nfs/dbraw/zinc/62/55/67/350625567.db2.gz CLQXAHHUZNWOFU-UHFFFAOYSA-N -1 1 291.326 3.239 20 0 CGADMM C[C@H](C(=O)Nc1cccc(F)c1[O-])C1CCCC1 ZINC000628960696 350626403 /nfs/dbraw/zinc/62/64/03/350626403.db2.gz RDXQDOOOUFEEJZ-VIFPVBQESA-N -1 1 251.301 3.296 20 0 CGADMM Cc1cc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)oc1C(=O)[O-] ZINC000629364548 350678263 /nfs/dbraw/zinc/67/82/63/350678263.db2.gz NMGIFRBOJMAZAB-UWVGGRQHSA-N -1 1 287.306 3.009 20 0 CGADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H]1CC12CCCC2 ZINC000629376256 350683098 /nfs/dbraw/zinc/68/30/98/350683098.db2.gz TWMQEBICRYJSEY-AWEZNQCLSA-N -1 1 297.358 3.097 20 0 CGADMM C[C@H]1CC=C(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000629380153 350686038 /nfs/dbraw/zinc/68/60/38/350686038.db2.gz LHOLXAJRROGEEK-LBPRGKRZSA-N -1 1 297.358 3.263 20 0 CGADMM C/C=C/C[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000629870131 350778167 /nfs/dbraw/zinc/77/81/67/350778167.db2.gz DEMUWJGTXMDOHQ-VUDBWIFFSA-N -1 1 295.329 3.489 20 0 CGADMM Cc1nc(SC[C@@H]2CC[C@@H](C)O2)[n-]c(=O)c1C1CC1 ZINC000631022862 350926917 /nfs/dbraw/zinc/92/69/17/350926917.db2.gz BLWKGNFQVUBAGW-KCJUWKMLSA-N -1 1 280.393 3.028 20 0 CGADMM Cc1nc(SCCC2CC2)[n-]c(=O)c1C1CC1 ZINC000631023875 350927473 /nfs/dbraw/zinc/92/74/73/350927473.db2.gz GYRDXDAJHMPDRV-UHFFFAOYSA-N -1 1 250.367 3.260 20 0 CGADMM Cc1nc(SCC[C@H]2CCCC2=O)[n-]c(=O)c1C1CC1 ZINC000631024447 350927891 /nfs/dbraw/zinc/92/78/91/350927891.db2.gz UDWWBSARUPMPTH-SNVBAGLBSA-N -1 1 292.404 3.219 20 0 CGADMM CC[C@@H](C)[C@@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630821251 350894288 /nfs/dbraw/zinc/89/42/88/350894288.db2.gz UBDVZJQZDVQMRG-NXEZZACHSA-N -1 1 269.772 3.139 20 0 CGADMM C[C@H](N(C)C(=O)Cc1ccc([O-])c(Cl)c1)C1(C)CC1 ZINC000631692789 351120611 /nfs/dbraw/zinc/12/06/11/351120611.db2.gz VFUCUSCFRFNXPW-JTQLQIEISA-N -1 1 281.783 3.235 20 0 CGADMM C[C@@H]1CC[C@H](C)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631570887 351070708 /nfs/dbraw/zinc/07/07/08/351070708.db2.gz VBPXWAXDLFOKKZ-WDEREUQCSA-N -1 1 281.783 3.235 20 0 CGADMM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632039305 351161351 /nfs/dbraw/zinc/16/13/51/351161351.db2.gz ZWRPOBSUJBGJAR-BDAKNGLRSA-N -1 1 295.351 3.320 20 0 CGADMM CC[C@@](C)(OC)c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000632147042 351172728 /nfs/dbraw/zinc/17/27/28/351172728.db2.gz ZZYSPYCMJRNUPU-CQSZACIVSA-N -1 1 296.754 3.291 20 0 CGADMM CC1=C(C)CN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000632827167 351220725 /nfs/dbraw/zinc/22/07/25/351220725.db2.gz JXFKVFRIHQZEAM-UHFFFAOYSA-N -1 1 279.767 3.157 20 0 CGADMM C[C@H]1[C@@H](C)N(C(=O)Cc2ccc([O-])c(Cl)c2)C[C@H]1C ZINC000633465063 351308855 /nfs/dbraw/zinc/30/88/55/351308855.db2.gz YUSYARMMEYULAS-GMTAPVOTSA-N -1 1 281.783 3.091 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(OC(F)(F)F)cc3)c(=O)c21 ZINC000634587139 351525009 /nfs/dbraw/zinc/52/50/09/351525009.db2.gz FYXZZVLGKRXPQM-QPUJVOFHSA-N -1 1 298.264 3.334 20 0 CGADMM Cc1[n-]n(-c2ccc(OC(F)(F)F)cc2)c(=O)c1C1CC1 ZINC000634587678 351525988 /nfs/dbraw/zinc/52/59/88/351525988.db2.gz VNFCGLGYNGRVSD-GFCCVEGCSA-N -1 1 298.264 3.334 20 0 CGADMM Cc1c(Cl)cccc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000634592399 351529061 /nfs/dbraw/zinc/52/90/61/351529061.db2.gz IJLIERULVRVQMW-SDBXPKJASA-N -1 1 262.740 3.397 20 0 CGADMM CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1CC ZINC000634593478 351530034 /nfs/dbraw/zinc/53/00/34/351530034.db2.gz POYVGWNLSDFHNX-CYBMUJFWSA-N -1 1 260.337 3.224 20 0 CGADMM CCCCc1[nH]n(-c2ccc(C(=O)[O-])c(F)c2)c(=O)c1C ZINC000634630765 351552545 /nfs/dbraw/zinc/55/25/45/351552545.db2.gz DGQVPGSOARCPMI-SECBINFHSA-N -1 1 292.310 3.053 20 0 CGADMM Cc1[n-]n(-c2cccc(F)c2Cl)c(=O)c1C1CC1 ZINC000634610897 351541047 /nfs/dbraw/zinc/54/10/47/351541047.db2.gz JERLMDBSNHHKNC-LLVKDONJSA-N -1 1 266.703 3.228 20 0 CGADMM O=c1c2c([n-]n1Cc1cccc(Cl)c1Cl)CCC2 ZINC000634623949 351549002 /nfs/dbraw/zinc/54/90/02/351549002.db2.gz TWFGMCDCHOMLLL-SECBINFHSA-N -1 1 283.158 3.492 20 0 CGADMM C/C(=C/c1cccc(Cl)c1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000123309382 187084307 /nfs/dbraw/zinc/08/43/07/187084307.db2.gz NYLBFCXRQXQDTH-RBJHHQRMSA-N -1 1 295.766 3.318 20 0 CGADMM CC[C@H](C)CON=c1cc(Cl)[n-]c(C2CC2)n1 ZINC000291944982 198113390 /nfs/dbraw/zinc/11/33/90/198113390.db2.gz TZUGRZQQJUSFNC-QMMMGPOBSA-N -1 1 255.749 3.397 20 0 CGADMM C[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])[C@H]1C ZINC000177000252 290561583 /nfs/dbraw/zinc/56/15/83/290561583.db2.gz YDUYLGRZTHDRBA-RYUDHWBXSA-N -1 1 269.344 3.416 20 0 CGADMM Cc1cnc(C(=O)N(Cc2cccs2)C(C)C)c([O-])c1 ZINC000426654625 236304936 /nfs/dbraw/zinc/30/49/36/236304936.db2.gz NCGZSZNNMZFBNF-UHFFFAOYSA-N -1 1 290.388 3.208 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCCC12CCC2 ZINC000336183876 213001651 /nfs/dbraw/zinc/00/16/51/213001651.db2.gz YGBMMDRGFXGQHG-UHFFFAOYSA-N -1 1 265.740 3.204 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cn1 ZINC000294896257 199237464 /nfs/dbraw/zinc/23/74/64/199237464.db2.gz ABGKVLAPHMCXHL-UHFFFAOYSA-N -1 1 288.372 3.068 20 0 CGADMM C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(F)ccc1[O-] ZINC000094153449 291159806 /nfs/dbraw/zinc/15/98/06/291159806.db2.gz DUDJYATYTNETJJ-WDMOLILDSA-N -1 1 277.339 3.325 20 0 CGADMM O=C(Nc1nc2ccsc2s1)c1cc(F)ccc1[O-] ZINC000436533677 237125925 /nfs/dbraw/zinc/12/59/25/237125925.db2.gz UYBVPXQWRMXQJS-UHFFFAOYSA-N -1 1 294.332 3.455 20 0 CGADMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451173754 240237151 /nfs/dbraw/zinc/23/71/51/240237151.db2.gz UDTSVEAVKAPONU-SKDRFNHKSA-N -1 1 297.351 3.039 20 0 CGADMM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1sccc1Cl ZINC000451403799 240294153 /nfs/dbraw/zinc/29/41/53/240294153.db2.gz MUODEBNGRPZGCN-QMMMGPOBSA-N -1 1 293.841 3.259 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(Cl)cc1[O-] ZINC000019839910 368771210 /nfs/dbraw/zinc/77/12/10/368771210.db2.gz VHVMDDDJSNOYBN-NXEZZACHSA-N -1 1 267.756 3.449 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)c(C)s1 ZINC000032531872 368933664 /nfs/dbraw/zinc/93/36/64/368933664.db2.gz MMJVQRDXAIGEFF-UHFFFAOYSA-N -1 1 281.402 3.474 20 0 CGADMM CC(C)CCc1nc(-c2ccc([O-])c(C(N)=O)c2)cs1 ZINC000049078910 369387281 /nfs/dbraw/zinc/38/72/81/369387281.db2.gz ZETFUJGYAZOWBX-UHFFFAOYSA-N -1 1 290.388 3.203 20 0 CGADMM CCN(CC1CC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000069238629 369754877 /nfs/dbraw/zinc/75/48/77/369754877.db2.gz HTAZKQVATBXLAG-UHFFFAOYSA-N -1 1 269.344 3.418 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@H]2c2ccccc2C)c([O-])c1 ZINC000331873095 204250587 /nfs/dbraw/zinc/25/05/87/204250587.db2.gz GXHFHYMIFGKWAA-HNNXBMFYSA-N -1 1 296.370 3.381 20 0 CGADMM CN(C(=O)c1ccc2ccccc2c1[O-])C1CCC1 ZINC000135045432 371385918 /nfs/dbraw/zinc/38/59/18/371385918.db2.gz WXPKJAAHCNPPOU-UHFFFAOYSA-N -1 1 255.317 3.170 20 0 CGADMM CC[C@H]1CCCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000135647221 371441331 /nfs/dbraw/zinc/44/13/31/371441331.db2.gz JREOGSFCVSNZQM-LBPRGKRZSA-N -1 1 265.328 3.326 20 0 CGADMM O=C(NCc1ccc(Cl)s1)c1cc(F)ccc1[O-] ZINC000147663394 371519554 /nfs/dbraw/zinc/51/95/54/371519554.db2.gz IVXMSUAPNJKFOJ-UHFFFAOYSA-N -1 1 285.727 3.176 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H](C2CCCC2)C1 ZINC000421950981 371713876 /nfs/dbraw/zinc/71/38/76/371713876.db2.gz OVPCVVHVCXQWMC-LBPRGKRZSA-N -1 1 277.339 3.184 20 0 CGADMM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ncccc3[O-])C2)c1 ZINC000154024026 371810356 /nfs/dbraw/zinc/81/03/56/371810356.db2.gz LBFOZWKSDSDEBS-CQSZACIVSA-N -1 1 296.370 3.034 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2scnc2C)n1 ZINC000289775981 371818751 /nfs/dbraw/zinc/81/87/51/371818751.db2.gz KQAMUWBUUNSEFE-UHFFFAOYSA-N -1 1 281.406 3.192 20 0 CGADMM C[C@H](NCc1cccc([O-])c1Cl)C(F)(F)F ZINC000293056558 372289384 /nfs/dbraw/zinc/28/93/84/372289384.db2.gz UKXVFWGLULCBQL-LURJTMIESA-N -1 1 253.651 3.086 20 0 CGADMM O=C(C[C@@H]1C=CCCC1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000429018988 372306300 /nfs/dbraw/zinc/30/63/00/372306300.db2.gz IRLHLVZHDXVJSO-LLVKDONJSA-N -1 1 287.388 3.245 20 0 CGADMM C[C@@H](C(=O)Nc1cccc(Cl)c1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000172355364 372948389 /nfs/dbraw/zinc/94/83/89/372948389.db2.gz KAQHRTPFQXHMBX-AXFHLTTASA-N -1 1 296.798 3.245 20 0 CGADMM CC[C@H](C)[C@@H](NC(=O)c1cc(F)ccc1[O-])C(F)(F)F ZINC000444562709 373200699 /nfs/dbraw/zinc/20/06/99/373200699.db2.gz WDGJEOWRFDYMPQ-WRWORJQWSA-N -1 1 293.260 3.238 20 0 CGADMM Cc1ccc(F)c(-c2cc(=NC(=O)CCC3CC3)[nH][n-]2)c1 ZINC000444776805 373271741 /nfs/dbraw/zinc/27/17/41/373271741.db2.gz DLSPFAPKAXETCF-UHFFFAOYSA-N -1 1 287.338 3.075 20 0 CGADMM Cc1ccc(F)c(-c2cc(=NC(=O)C3(C)CCC3)[nH][n-]2)c1 ZINC000444786692 373275236 /nfs/dbraw/zinc/27/52/36/373275236.db2.gz OQELZOHXQFZTQT-UHFFFAOYSA-N -1 1 287.338 3.075 20 0 CGADMM CC(C)OC(=O)[C@@H](NCc1cccc([O-])c1Cl)C(C)C ZINC000449498264 373794359 /nfs/dbraw/zinc/79/43/59/373794359.db2.gz BEGDJBSYACCAGB-AWEZNQCLSA-N -1 1 299.798 3.111 20 0 CGADMM CN(C(=O)c1ccc(O)cc1[O-])c1ccc(F)c(Cl)c1 ZINC000180214810 373979293 /nfs/dbraw/zinc/97/92/93/373979293.db2.gz XFNRHUCUDKCBGE-UHFFFAOYSA-N -1 1 295.697 3.167 20 0 CGADMM COC[C@@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000307778871 374151841 /nfs/dbraw/zinc/15/18/41/374151841.db2.gz OOGYYCPGWHZHMF-AWEZNQCLSA-N -1 1 299.370 3.187 20 0 CGADMM CCC[C@@H](N=c1nc([C@@H](C)OC)[n-]s1)C(C)(C)C ZINC000450712610 374174715 /nfs/dbraw/zinc/17/47/15/374174715.db2.gz WDIOGHJUAZDSBM-NXEZZACHSA-N -1 1 271.430 3.294 20 0 CGADMM CC1(C)CC[C@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000310326396 374214519 /nfs/dbraw/zinc/21/45/19/374214519.db2.gz YUUXQNCGFUPMHB-LLVKDONJSA-N -1 1 298.180 3.073 20 0 CGADMM C[C@H]1CC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000311623433 374249636 /nfs/dbraw/zinc/24/96/36/374249636.db2.gz MPNFWBHTHPXQMN-IINYFYTJSA-N -1 1 255.317 3.074 20 0 CGADMM COc1ccc(-c2nc(CCC(C)(C)C)no2)c([O-])c1 ZINC000312165636 374272450 /nfs/dbraw/zinc/27/24/50/374272450.db2.gz CGKXLGGTQFITBD-UHFFFAOYSA-N -1 1 276.336 3.430 20 0 CGADMM CC(F)(F)CCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000452214475 374282485 /nfs/dbraw/zinc/28/24/85/374282485.db2.gz CIFQWWAUWDTXSZ-UHFFFAOYSA-N -1 1 297.223 3.186 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N1CCC(C)(C(=O)[O-])CC1 ZINC000086777051 541940832 /nfs/dbraw/zinc/94/08/32/541940832.db2.gz PHWMOZQDRIBARO-JTQLQIEISA-N -1 1 283.318 3.213 20 0 CGADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])c1nccs1 ZINC000184301166 374512220 /nfs/dbraw/zinc/51/22/20/374512220.db2.gz QMWKIVNBWSVUOP-QMMMGPOBSA-N -1 1 296.779 3.036 20 0 CGADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@@H]1CCCOC1 ZINC000332508700 374579606 /nfs/dbraw/zinc/57/96/06/374579606.db2.gz UDMXSAOWMXEVIQ-SWLSCSKDSA-N -1 1 299.370 3.090 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2cncc([O-])c2)CC12CCCCC2 ZINC000333731535 374617561 /nfs/dbraw/zinc/61/75/61/374617561.db2.gz JZDDZLLGXOSCLU-OAHLLOKOSA-N -1 1 288.391 3.218 20 0 CGADMM CCc1ocnc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000334472015 374779619 /nfs/dbraw/zinc/77/96/19/374779619.db2.gz KATJNDPSNJPFNS-UHFFFAOYSA-N -1 1 286.665 3.421 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc(O)ccc1Cl ZINC000334482357 374786999 /nfs/dbraw/zinc/78/69/99/374786999.db2.gz WQBLNXPQQXJGEX-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@@H](C)c2ccccc2)n1 ZINC000187594164 375052190 /nfs/dbraw/zinc/05/21/90/375052190.db2.gz GPLQJYIVCIYLAA-SNVBAGLBSA-N -1 1 276.361 3.092 20 0 CGADMM CC(C)C(C)(C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000335214844 375234859 /nfs/dbraw/zinc/23/48/59/375234859.db2.gz IAFXMSVUHNDZFP-UHFFFAOYSA-N -1 1 257.280 3.291 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(Cl)cn1 ZINC000335844781 375476913 /nfs/dbraw/zinc/47/69/13/375476913.db2.gz UIZGOENDIZBFEF-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])CCS1 ZINC000191940122 375680480 /nfs/dbraw/zinc/68/04/80/375680480.db2.gz JFZPIFVJIOSPPK-SECBINFHSA-N -1 1 285.796 3.013 20 0 CGADMM CCc1cc([N-]S(=O)(=O)c2ccsc2)ccc1F ZINC000507581930 375715966 /nfs/dbraw/zinc/71/59/66/375715966.db2.gz IIOMZLSPMXPMNK-UHFFFAOYSA-N -1 1 285.365 3.250 20 0 CGADMM COc1cccc(Cl)c1C(=O)Nc1ccc(F)cc1[O-] ZINC000336164263 375740739 /nfs/dbraw/zinc/74/07/39/375740739.db2.gz OJBSYKOUIWUNMS-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CCCCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000192451323 375750582 /nfs/dbraw/zinc/75/05/82/375750582.db2.gz LMTGGPLAZCNIBL-UHFFFAOYSA-N -1 1 282.409 3.346 20 0 CGADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccsc1 ZINC000128657697 542053282 /nfs/dbraw/zinc/05/32/82/542053282.db2.gz PBDCKNIUMWJXEQ-QMMMGPOBSA-N -1 1 265.309 3.084 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C)c(C)c1 ZINC000336565044 375835767 /nfs/dbraw/zinc/83/57/67/375835767.db2.gz UWKCXPFWGWDPOW-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccc(C(F)F)cc2)n1 ZINC000193539690 375892754 /nfs/dbraw/zinc/89/27/54/375892754.db2.gz QZZUUFRWTWRVQW-UHFFFAOYSA-N -1 1 298.314 3.426 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2ccnc(Cl)c2)[n-]1 ZINC000195080040 376075861 /nfs/dbraw/zinc/07/58/61/376075861.db2.gz QHBZUWLILJWIED-UHFFFAOYSA-N -1 1 293.779 3.400 20 0 CGADMM CCC[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000263949989 190086419 /nfs/dbraw/zinc/08/64/19/190086419.db2.gz YIMNXSXLRNUCQQ-LLVKDONJSA-N -1 1 259.271 3.076 20 0 CGADMM O=C(Cc1ccsc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339121640 376693709 /nfs/dbraw/zinc/69/37/09/376693709.db2.gz WEGSYEULNVKJKU-UHFFFAOYSA-N -1 1 299.355 3.025 20 0 CGADMM O=C(Nc1ccnc(-c2ccccc2)c1)c1cncc([O-])c1 ZINC000339937418 376875075 /nfs/dbraw/zinc/87/50/75/376875075.db2.gz LURIJTAEBIPDDE-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[O-])c1cccnc1 ZINC000340328735 377004464 /nfs/dbraw/zinc/00/44/64/377004464.db2.gz CJOBEYXIKDSNFF-JTQLQIEISA-N -1 1 274.295 3.059 20 0 CGADMM O=C(COc1ccc(Cl)cc1)Nc1ccc(F)cc1[O-] ZINC000340329998 377004926 /nfs/dbraw/zinc/00/49/26/377004926.db2.gz XENREQCUKVUJIX-UHFFFAOYSA-N -1 1 295.697 3.202 20 0 CGADMM CC(C)CCc1nc(CN2CC[C@@H](C(=O)[O-])[C@H]2C)cs1 ZINC000563290978 377439870 /nfs/dbraw/zinc/43/98/70/377439870.db2.gz XVHPRDUFCDEJRP-DGCLKSJQSA-N -1 1 296.436 3.027 20 0 CGADMM CC1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000162549808 542164824 /nfs/dbraw/zinc/16/48/24/542164824.db2.gz DISZXUARSSBRHH-UHFFFAOYSA-N -1 1 285.746 3.166 20 0 CGADMM CCOc1ccc(NC(=O)c2cc(F)ccc2[O-])c(C)c1 ZINC000094031939 249039041 /nfs/dbraw/zinc/03/90/41/249039041.db2.gz MMJXHMBDASOOSG-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM COC1CCC(N(C)C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000265242884 190168397 /nfs/dbraw/zinc/16/83/97/190168397.db2.gz XRLPREZDBPABNZ-UHFFFAOYSA-N -1 1 297.782 3.075 20 0 CGADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(O)c1 ZINC000488229397 249172744 /nfs/dbraw/zinc/17/27/44/249172744.db2.gz GTFLBSVFHJHOKI-UHFFFAOYSA-N -1 1 291.372 3.064 20 0 CGADMM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2cncc([O-])c2)C1 ZINC000342761961 377778149 /nfs/dbraw/zinc/77/81/49/377778149.db2.gz WHCYKFYSFBBUOZ-SUMWQHHRSA-N -1 1 296.370 3.401 20 0 CGADMM Cc1onc(CN2CCC[C@]3(CC=CCC3)C2)c1C(=O)[O-] ZINC000575130642 377751269 /nfs/dbraw/zinc/75/12/69/377751269.db2.gz FHLVCGZVOREZED-MRXNPFEDSA-N -1 1 290.363 3.004 20 0 CGADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Cl)cc2F)C1 ZINC000263329023 377928026 /nfs/dbraw/zinc/92/80/26/377928026.db2.gz LDOATIFDWMFEOL-ONGXEEELSA-N -1 1 285.746 3.022 20 0 CGADMM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000263396839 377931918 /nfs/dbraw/zinc/93/19/18/377931918.db2.gz GYDRVKHHZDXTNK-CQSZACIVSA-N -1 1 289.306 3.135 20 0 CGADMM CCOc1cc(C)ccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000263449210 377937694 /nfs/dbraw/zinc/93/76/94/377937694.db2.gz YZVYWGSZASYYBU-UHFFFAOYSA-N -1 1 299.370 3.382 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CNCc2ccc(C(=O)[O-])cc2)o1 ZINC000263508839 377942411 /nfs/dbraw/zinc/94/24/11/377942411.db2.gz YDJOPMRZJZCTMI-XHDPSFHLSA-N -1 1 285.343 3.391 20 0 CGADMM CCC[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000262724002 377908694 /nfs/dbraw/zinc/90/86/94/377908694.db2.gz XPCWFNNBLLMYAZ-CQSZACIVSA-N -1 1 273.332 3.290 20 0 CGADMM COc1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000578481264 378073125 /nfs/dbraw/zinc/07/31/25/378073125.db2.gz OHQIHGOBNBHIJG-UHFFFAOYSA-N -1 1 288.372 3.361 20 0 CGADMM C[C@H]1CO[C@@H](c2ccccc2)CN1CCCCCC(=O)[O-] ZINC000582186497 378291045 /nfs/dbraw/zinc/29/10/45/378291045.db2.gz DSGOSJJMHWEFDI-GOEBONIOSA-N -1 1 291.391 3.093 20 0 CGADMM Cc1cc(C)c(CNCc2nc(C(=O)[O-])cs2)c(C)c1 ZINC000277329797 379133385 /nfs/dbraw/zinc/13/33/85/379133385.db2.gz OGDVKZKTRIQZOY-UHFFFAOYSA-N -1 1 290.388 3.056 20 0 CGADMM CC(C)OC(=O)O[C@H](C)Sc1nc(C2CC2)cc(=O)[n-]1 ZINC000277743890 379226617 /nfs/dbraw/zinc/22/66/17/379226617.db2.gz QLODMQQLGBMSST-QMMMGPOBSA-N -1 1 298.364 3.059 20 0 CGADMM Cc1nsc([N-]c2cnn(C3CCCC3)c2C)n1 ZINC000278121228 379294711 /nfs/dbraw/zinc/29/47/11/379294711.db2.gz YJZFHKOQYNVBAT-UHFFFAOYSA-N -1 1 263.370 3.210 20 0 CGADMM [O-]c1cccc(CN(CCO)Cc2ccccc2)c1Cl ZINC000350151794 379522148 /nfs/dbraw/zinc/52/21/48/379522148.db2.gz YCMMZBVPQCODTB-UHFFFAOYSA-N -1 1 291.778 3.040 20 0 CGADMM C[C@H]1CC(c2nc(-c3ccc([O-])cc3F)no2)C[C@H](C)O1 ZINC000350818196 379589140 /nfs/dbraw/zinc/58/91/40/379589140.db2.gz YSZPPFVUVIPCRZ-IUCAKERBSA-N -1 1 292.310 3.252 20 0 CGADMM O=C(N=c1[n-]sc2ccccc21)N[C@@H]1CCC(F)(F)C1 ZINC000640342194 379769705 /nfs/dbraw/zinc/76/97/05/379769705.db2.gz MUSOXWPLFCEQLJ-MRVPVSSYSA-N -1 1 297.330 3.028 20 0 CGADMM CC(C)[C@H](C)N(C)C(=O)N=c1[n-]sc2ccccc21 ZINC000640341109 379770793 /nfs/dbraw/zinc/77/07/93/379770793.db2.gz DWVUKFIKLBWTDU-JTQLQIEISA-N -1 1 277.393 3.226 20 0 CGADMM CC(F)(F)CCCNC(=O)N=c1[n-]sc2ccccc21 ZINC000640340251 379771009 /nfs/dbraw/zinc/77/10/09/379771009.db2.gz PWWIZNQAKFDDFY-UHFFFAOYSA-N -1 1 299.346 3.275 20 0 CGADMM CC(C)CCN(C)C(=O)N=c1[n-]sc2ccccc21 ZINC000640342705 379771267 /nfs/dbraw/zinc/77/12/67/379771267.db2.gz TXVLKFDPIHLOAT-UHFFFAOYSA-N -1 1 277.393 3.228 20 0 CGADMM CC(C)CN(C(=O)N=c1[n-]sc2ccccc21)C1CC1 ZINC000640341569 379771283 /nfs/dbraw/zinc/77/12/83/379771283.db2.gz GRGLLEWBGIOYBW-UHFFFAOYSA-N -1 1 289.404 3.371 20 0 CGADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@H]1CCCC[C@H]1C ZINC000408369033 380007688 /nfs/dbraw/zinc/00/76/88/380007688.db2.gz QOZLOGZKCGOVFL-OLZOCXBDSA-N -1 1 276.380 3.136 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2F)s1 ZINC000352866663 380012696 /nfs/dbraw/zinc/01/26/96/380012696.db2.gz DGUUXEPCQOSIQE-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM C[C@H]1COC(C)(C)CN1Cc1cccc([O-])c1Cl ZINC000353191413 380160805 /nfs/dbraw/zinc/16/08/05/380160805.db2.gz KDFCEIXJKJBJNL-JTQLQIEISA-N -1 1 269.772 3.045 20 0 CGADMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(SC)s1 ZINC000414688312 380374238 /nfs/dbraw/zinc/37/42/38/380374238.db2.gz YLTVYIVGICXYDI-VIFPVBQESA-N -1 1 273.423 3.155 20 0 CGADMM CC1=C(C(=O)Nc2ccc([O-])c(F)c2F)CCC1 ZINC000334748314 207011433 /nfs/dbraw/zinc/01/14/33/207011433.db2.gz YEJHIKJIKAIZEY-UHFFFAOYSA-N -1 1 253.248 3.109 20 0 CGADMM O=C([O-])[C@H]1C=C[C@@H](NCc2cc(Cl)sc2Cl)C1 ZINC000417616931 380654015 /nfs/dbraw/zinc/65/40/15/380654015.db2.gz HTCYSVNWSVIEEL-POYBYMJQSA-N -1 1 292.187 3.174 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c[nH]c2ncccc12 ZINC000357366190 381130038 /nfs/dbraw/zinc/13/00/38/381130038.db2.gz ZAJZNBJBHHIWMH-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1C(C)C ZINC000334650764 291781764 /nfs/dbraw/zinc/78/17/64/291781764.db2.gz JIULIBUBTYKVEA-UHFFFAOYSA-N -1 1 293.754 3.384 20 0 CGADMM C[C@@H](NC(=O)c1cc(Br)ccc1[O-])C1CCC1 ZINC000229823045 542302255 /nfs/dbraw/zinc/30/22/55/542302255.db2.gz GCFYWPSVUQVAGI-MRVPVSSYSA-N -1 1 298.180 3.073 20 0 CGADMM O=c1cc(C(F)F)nc(SCOC2CCCC2)[n-]1 ZINC000289503623 197381283 /nfs/dbraw/zinc/38/12/83/197381283.db2.gz KZBONVNLLGKHAV-UHFFFAOYSA-N -1 1 276.308 3.129 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCC(F)(F)C1 ZINC000335218345 207951670 /nfs/dbraw/zinc/95/16/70/207951670.db2.gz REMPKGJJKHDASX-ZCFIWIBFSA-N -1 1 277.217 3.044 20 0 CGADMM C[C@@H]1C[C@@H](C)[C@H](c2nc(-c3ccc([O-])cc3F)no2)O1 ZINC000289180351 197254845 /nfs/dbraw/zinc/25/48/45/197254845.db2.gz WGHCEJPJAJLKMB-DNSOKLHBSA-N -1 1 278.283 3.067 20 0 CGADMM C[C@H]1OCCC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289067821 197226007 /nfs/dbraw/zinc/22/60/07/197226007.db2.gz MBALHPCSSZIJDP-PSASIEDQSA-N -1 1 294.738 3.378 20 0 CGADMM O=C([O-])C[C@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000308352314 542422675 /nfs/dbraw/zinc/42/26/75/542422675.db2.gz CQDXGWXXDJYAKU-SECBINFHSA-N -1 1 273.785 3.088 20 0 CGADMM Cc1cccc2nc(-c3ccc4c(c3)C(=O)CC4)[n-]c(=O)c12 ZINC000356895637 542572969 /nfs/dbraw/zinc/57/29/69/542572969.db2.gz PQTDFDOEMVLCAR-UHFFFAOYSA-N -1 1 290.322 3.440 20 0 CGADMM O=C(N[C@@H]1CCC(F)(F)C1)c1cc2ccccc2cc1[O-] ZINC000386481570 542603745 /nfs/dbraw/zinc/60/37/45/542603745.db2.gz MFAGUVJBEXIWCX-GFCCVEGCSA-N -1 1 291.297 3.463 20 0 CGADMM COc1ccc(C(=O)Nc2cccc3[nH]ccc32)c([O-])c1 ZINC000059080834 392118583 /nfs/dbraw/zinc/11/85/83/392118583.db2.gz VQOPSTDOMPPFSI-UHFFFAOYSA-N -1 1 282.299 3.134 20 0 CGADMM Cc1oc(C(C)C)nc1C(=O)Nc1ccc(F)cc1[O-] ZINC000285861892 392340213 /nfs/dbraw/zinc/34/02/13/392340213.db2.gz VEFYGZXRDXQCPY-UHFFFAOYSA-N -1 1 278.283 3.203 20 0 CGADMM CC(=O)c1ccc(-c2nc3ccc([O-])cc3c(=O)[nH]2)cc1F ZINC000436640451 542659136 /nfs/dbraw/zinc/65/91/36/542659136.db2.gz PPKAWLJSHLLOAY-UHFFFAOYSA-N -1 1 298.273 3.050 20 0 CGADMM CC(C)(C)c1cnc(CN2CCC(C)(C(=O)[O-])CC2)s1 ZINC000647464418 392729028 /nfs/dbraw/zinc/72/90/28/392729028.db2.gz PSKPBIVEKCIFNN-UHFFFAOYSA-N -1 1 296.436 3.127 20 0 CGADMM CC1(C)CCC[C@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000647519098 392750663 /nfs/dbraw/zinc/75/06/63/392750663.db2.gz ZVKAHRQZQDBJEA-NSHDSACASA-N -1 1 265.328 3.087 20 0 CGADMM CCOc1cc(C(=O)Nc2cccnc2)cc(Cl)c1[O-] ZINC000193163880 392871541 /nfs/dbraw/zinc/87/15/41/392871541.db2.gz MYDVAIARNLHBDP-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM Cc1ccc(-c2noc([N-][C@@H](CCO)c3ccco3)n2)cc1 ZINC000274451433 393284686 /nfs/dbraw/zinc/28/46/86/393284686.db2.gz WFIAJEZQYYESJB-ZDUSSCGKSA-N -1 1 299.330 3.174 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1oc2c(c1C)c(C)ccc2C ZINC000646409274 393280569 /nfs/dbraw/zinc/28/05/69/393280569.db2.gz NFXAJCFPNYKLBU-UHFFFAOYSA-N -1 1 299.330 3.347 20 0 CGADMM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc(F)ccc1[O-] ZINC000438621267 393728684 /nfs/dbraw/zinc/72/86/84/393728684.db2.gz RJNVOHBPDXFSTN-SNVBAGLBSA-N -1 1 293.260 3.238 20 0 CGADMM [O-]c1ccc(-c2noc(CCc3ccsc3)n2)c(F)c1 ZINC000445455544 393796366 /nfs/dbraw/zinc/79/63/66/393796366.db2.gz DUWHSCFWDRFXPP-UHFFFAOYSA-N -1 1 290.319 3.428 20 0 CGADMM CC(=O)CCC(C)(C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445484671 393800121 /nfs/dbraw/zinc/80/01/21/393800121.db2.gz YDAUXTNXDXUOOE-UHFFFAOYSA-N -1 1 292.310 3.228 20 0 CGADMM C[C@@H](Cc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000672901272 543229677 /nfs/dbraw/zinc/22/96/77/543229677.db2.gz IYHOUEPTRMUKGN-NSHDSACASA-N -1 1 273.307 3.349 20 0 CGADMM CCc1c(C)[n-]n(Cc2ccc(Br)cc2)c1=O ZINC000109363028 397653446 /nfs/dbraw/zinc/65/34/46/397653446.db2.gz VIQIZFYZHBJUJC-GFCCVEGCSA-N -1 1 295.180 3.193 20 0 CGADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(F)ccc1OC ZINC000650193455 397800066 /nfs/dbraw/zinc/80/00/66/397800066.db2.gz YHBQOXSCVXIIMY-LLVKDONJSA-N -1 1 289.372 3.155 20 0 CGADMM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ncccc2[O-])C1 ZINC000342722207 296746936 /nfs/dbraw/zinc/74/69/36/296746936.db2.gz ALGPENQOXSEYNF-UKRRQHHQSA-N -1 1 296.370 3.401 20 0 CGADMM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000451305949 287078512 /nfs/dbraw/zinc/07/85/12/287078512.db2.gz LUSURRYPXPKPKC-SCZZXKLOSA-N -1 1 293.841 3.259 20 0 CGADMM CCC[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000089944443 287096929 /nfs/dbraw/zinc/09/69/29/287096929.db2.gz RPCVMDGBJWITJB-CQSZACIVSA-N -1 1 299.370 3.187 20 0 CGADMM CCc1ccccc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121739372 287202813 /nfs/dbraw/zinc/20/28/13/287202813.db2.gz ODNCLGUHPVXABK-UHFFFAOYSA-N -1 1 298.342 3.165 20 0 CGADMM Cc1cccc(CN(C)C(=O)c2cc(F)ccc2[O-])c1 ZINC000124049006 287228921 /nfs/dbraw/zinc/22/89/21/287228921.db2.gz JOWDBDSGUCPMSC-UHFFFAOYSA-N -1 1 273.307 3.112 20 0 CGADMM Cc1cccc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000026020213 171471128 /nfs/dbraw/zinc/47/11/28/171471128.db2.gz PEUBWCQSUCGXOW-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM O=C([O-])C[C@H]1CCCCN1Cc1c(F)cccc1Cl ZINC000038027999 174015688 /nfs/dbraw/zinc/01/56/88/174015688.db2.gz BJPBQEGXKSPWIJ-SNVBAGLBSA-N -1 1 285.746 3.308 20 0 CGADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000128169773 287305066 /nfs/dbraw/zinc/30/50/66/287305066.db2.gz UEFSLVKRAVNXKZ-GHMZBOCLSA-N -1 1 297.395 3.325 20 0 CGADMM CCN(Cc1cccc(C(=O)[O-])c1Cl)[C@@H]1CCCOC1 ZINC000402589462 416547202 /nfs/dbraw/zinc/54/72/02/416547202.db2.gz KGTCHSQPNXWWOY-GFCCVEGCSA-N -1 1 297.782 3.039 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(Cl)c(F)c2)c1=O ZINC000118305137 416499108 /nfs/dbraw/zinc/49/91/08/416499108.db2.gz FTTJYRYAULIRFN-VIFPVBQESA-N -1 1 254.692 3.228 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(C(F)(F)F)cc2)c1=O ZINC000128916092 416512669 /nfs/dbraw/zinc/51/26/69/416512669.db2.gz XCCQEJJGBZPIKV-NSHDSACASA-N -1 1 270.254 3.454 20 0 CGADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])c1c(C)noc1C ZINC000129690096 287337279 /nfs/dbraw/zinc/33/72/79/287337279.db2.gz PTROUJAJCBUKTD-LBPRGKRZSA-N -1 1 292.310 3.017 20 0 CGADMM O=C(Nc1nc(-c2ccccc2)c[nH]1)c1ccccc1[O-] ZINC000679169333 543597074 /nfs/dbraw/zinc/59/70/74/543597074.db2.gz FGEQUPNZAHDPDE-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H]1F ZINC000679251281 543607096 /nfs/dbraw/zinc/60/70/96/543607096.db2.gz JGZPWZGLWHDLON-ABAIWWIYSA-N -1 1 287.334 3.366 20 0 CGADMM C[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H]1F ZINC000679251283 543607679 /nfs/dbraw/zinc/60/76/79/543607679.db2.gz JGZPWZGLWHDLON-NHYWBVRUSA-N -1 1 287.334 3.366 20 0 CGADMM COc1ccc(Cl)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681014163 543756573 /nfs/dbraw/zinc/75/65/73/543756573.db2.gz CVEGWIOPIOEOST-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681014113 543756660 /nfs/dbraw/zinc/75/66/60/543756660.db2.gz ACVIPZWXLCGTRX-UHFFFAOYSA-N -1 1 273.307 3.112 20 0 CGADMM COc1ccc([C@H](C)NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681017282 543757304 /nfs/dbraw/zinc/75/73/04/543757304.db2.gz OALAVTRZVJJNBP-JTQLQIEISA-N -1 1 289.306 3.031 20 0 CGADMM O=C(NCCc1ccccc1Cl)c1ccc([O-])c(F)c1 ZINC000681032652 543758588 /nfs/dbraw/zinc/75/85/88/543758588.db2.gz GZPIKYILAAMGSP-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC000681021794 543758702 /nfs/dbraw/zinc/75/87/02/543758702.db2.gz ZTKFBFDCBGPARL-HNNXBMFYSA-N -1 1 285.318 3.257 20 0 CGADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681043147 543759415 /nfs/dbraw/zinc/75/94/15/543759415.db2.gz XVIDHXBRPWJPBA-WCQYABFASA-N -1 1 279.355 3.476 20 0 CGADMM C[C@@H]1c2ccccc2CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681043628 543759505 /nfs/dbraw/zinc/75/95/05/543759505.db2.gz PUFWDXRKHYCGEE-LLVKDONJSA-N -1 1 285.318 3.291 20 0 CGADMM CC(C)C[C@@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681037678 543759783 /nfs/dbraw/zinc/75/97/83/543759783.db2.gz NYPLSWKLZPDSAD-LBPRGKRZSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1ccccc1[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681037541 543759792 /nfs/dbraw/zinc/75/97/92/543759792.db2.gz GUJCHZQLTFONJC-AWEZNQCLSA-N -1 1 299.345 3.469 20 0 CGADMM C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc([O-])c(F)c1 ZINC000681047230 543760161 /nfs/dbraw/zinc/76/01/61/543760161.db2.gz YDHWSBKYUOQCPX-NEPJUHHUSA-N -1 1 279.355 3.478 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC000681086680 543764239 /nfs/dbraw/zinc/76/42/39/543764239.db2.gz TVPJPYVODYYZEY-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1c([O-])cccc1F ZINC000681121848 543769279 /nfs/dbraw/zinc/76/92/79/543769279.db2.gz QDCTVPIACRYHER-NXEZZACHSA-N -1 1 251.301 3.296 20 0 CGADMM CCn1ccc(CN(C)C(=O)c2ccc(Cl)cc2[O-])c1 ZINC000682944914 543880472 /nfs/dbraw/zinc/88/04/72/543880472.db2.gz KZGYNGOIBAAYQA-UHFFFAOYSA-N -1 1 292.766 3.139 20 0 CGADMM Cc1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)nc1 ZINC000683455209 543915716 /nfs/dbraw/zinc/91/57/16/543915716.db2.gz ROEWORPIBHBMJL-UHFFFAOYSA-N -1 1 273.361 3.055 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc2[nH]ccc2s1 ZINC000684471185 544005512 /nfs/dbraw/zinc/00/55/12/544005512.db2.gz SACNGLTUOKWCRQ-UHFFFAOYSA-N -1 1 276.292 3.326 20 0 CGADMM O=C(N[C@@H]1CC=CCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875931 544035372 /nfs/dbraw/zinc/03/53/72/544035372.db2.gz MUMBGTMPTFTHBX-SNVBAGLBSA-N -1 1 285.265 3.250 20 0 CGADMM O=C([O-])c1cc(CN2CCCc3sccc3C2)cs1 ZINC000652410958 418965482 /nfs/dbraw/zinc/96/54/82/418965482.db2.gz MUAACQYILBMQDV-UHFFFAOYSA-N -1 1 293.413 3.456 20 0 CGADMM CCC[C@]1(C)CCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000652419301 418966721 /nfs/dbraw/zinc/96/67/21/418966721.db2.gz NJVMXZOOZJIDDN-CQSZACIVSA-N -1 1 282.409 3.244 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CCCc2sccc2C1 ZINC000652410950 418965062 /nfs/dbraw/zinc/96/50/62/418965062.db2.gz LYEIURHPHDETNV-UHFFFAOYSA-N -1 1 291.372 3.296 20 0 CGADMM CN(Cc1cc(Cl)ccc1Cl)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801061 418994483 /nfs/dbraw/zinc/99/44/83/418994483.db2.gz DNKKTDHDTVVNNO-DKTWLAJQSA-N -1 1 288.174 3.288 20 0 CGADMM CC(C)[C@@H](CNc1ccnc2cc(F)ccc21)C(=O)[O-] ZINC000656091357 419138334 /nfs/dbraw/zinc/13/83/34/419138334.db2.gz AFRFBZLQUBOENV-GFCCVEGCSA-N -1 1 276.311 3.143 20 0 CGADMM CCc1nc(SC[C@H](OC)C2CCCC2)[n-]c(=O)c1C ZINC000657264133 419240290 /nfs/dbraw/zinc/24/02/90/419240290.db2.gz GBOZDHHMLNAFEB-ZDUSSCGKSA-N -1 1 296.436 3.350 20 0 CGADMM O=C([O-])c1coc(CN2CC3CC2(c2ccccc2)C3)c1 ZINC000663318271 419556810 /nfs/dbraw/zinc/55/68/10/419556810.db2.gz UZLRSMICHGNGLA-UHFFFAOYSA-N -1 1 283.327 3.099 20 0 CGADMM CCCC[C@H](CC)CNC(=O)c1ccc([O-])cc1F ZINC000226267962 287634296 /nfs/dbraw/zinc/63/42/96/287634296.db2.gz LDIMCYKVGYOZOL-NSHDSACASA-N -1 1 267.344 3.478 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2F)c(F)c1 ZINC000180467550 260103334 /nfs/dbraw/zinc/10/33/34/260103334.db2.gz JWMDRNBGZCDGGK-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=C(NCCCOCC1CC1)c1ccc2ccccc2c1[O-] ZINC000319541999 262239678 /nfs/dbraw/zinc/23/96/78/262239678.db2.gz KZCNGUXRQFPCIS-UHFFFAOYSA-N -1 1 299.370 3.092 20 0 CGADMM O=C(NC[C@H]1CCCC1(F)F)c1cc(Cl)ccc1[O-] ZINC000391099015 262380795 /nfs/dbraw/zinc/38/07/95/262380795.db2.gz SZLWMTZSXABCDT-MRVPVSSYSA-N -1 1 289.709 3.211 20 0 CGADMM CCCOc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000051786561 270040603 /nfs/dbraw/zinc/04/06/03/270040603.db2.gz OSUZXSJRLBUODY-UHFFFAOYSA-N -1 1 271.316 3.433 20 0 CGADMM CC(C)=CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000232596131 287646135 /nfs/dbraw/zinc/64/61/35/287646135.db2.gz ZHMXBVJXZIZFGH-UHFFFAOYSA-N -1 1 255.317 3.241 20 0 CGADMM CC[C@H](NC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000228842123 270087948 /nfs/dbraw/zinc/08/79/48/270087948.db2.gz RDDNLOUWMKUKCE-ZDUSSCGKSA-N -1 1 273.307 3.412 20 0 CGADMM CCN(CC1CCC1)C(=O)c1cc(Cl)ccc1[O-] ZINC000230319110 270089209 /nfs/dbraw/zinc/08/92/09/270089209.db2.gz OHHAGXCFLJHSCS-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000525015109 270116739 /nfs/dbraw/zinc/11/67/39/270116739.db2.gz GQLICSCJOMRBJZ-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM O=C(NCC[C@@H]1CC=CCC1)c1c(F)ccc([O-])c1F ZINC000529870833 270190658 /nfs/dbraw/zinc/19/06/58/270190658.db2.gz WTMDNJQXMDDOMP-SNVBAGLBSA-N -1 1 281.302 3.147 20 0 CGADMM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cncc([O-])c1 ZINC000292513408 279005726 /nfs/dbraw/zinc/00/57/26/279005726.db2.gz BDRPMGANOXPZBW-XNJGSVPQSA-N -1 1 296.370 3.194 20 0 CGADMM C[C@H]1CCC[C@@H](OCC(=O)Nc2cccc(F)c2[O-])C1 ZINC000530004555 288281138 /nfs/dbraw/zinc/28/11/38/288281138.db2.gz BTSPKNOYPOMOFE-WDEREUQCSA-N -1 1 281.327 3.065 20 0 CGADMM Cc1nc(CC2CC2)oc1C(=O)Nc1cccc(F)c1[O-] ZINC000530006263 288281705 /nfs/dbraw/zinc/28/17/05/288281705.db2.gz RALYGIUJDUGOQT-UHFFFAOYSA-N -1 1 290.294 3.033 20 0 CGADMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cccc(F)c1[O-] ZINC000530005934 288281811 /nfs/dbraw/zinc/28/18/11/288281811.db2.gz ONKDOLJXGUCWLG-QMMMGPOBSA-N -1 1 291.326 3.004 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])C1CCCCCC1 ZINC000532012708 288350037 /nfs/dbraw/zinc/35/00/37/288350037.db2.gz UPZYHXZGPBSJPG-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532881882 288372667 /nfs/dbraw/zinc/37/26/67/288372667.db2.gz VPHKKDZZWDXDAI-NWDGAFQWSA-N -1 1 294.395 3.220 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3C3CC3)n2)c(F)c1 ZINC000551052707 289096703 /nfs/dbraw/zinc/09/67/03/289096703.db2.gz AZAVGMJABOGPMB-MNOVXSKESA-N -1 1 260.268 3.095 20 0 CGADMM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000559814757 289556395 /nfs/dbraw/zinc/55/63/95/289556395.db2.gz RZDZDKUTWRZCFG-ZDUSSCGKSA-N -1 1 288.322 3.361 20 0 CGADMM C[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180332215 290381150 /nfs/dbraw/zinc/38/11/50/290381150.db2.gz WSJUZOSXAIMLEL-VIFPVBQESA-N -1 1 287.281 3.426 20 0 CGADMM C[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C[C@@H](C)C1 ZINC000349101247 299951173 /nfs/dbraw/zinc/95/11/73/299951173.db2.gz WTFJSLMFNLKEHY-UWVGGRQHSA-N -1 1 283.318 3.179 20 0 CGADMM FC(F)(F)c1nc(=N[C@H]2CC23CCCCC3)s[n-]1 ZINC000342934615 303120904 /nfs/dbraw/zinc/12/09/04/303120904.db2.gz QQACHEPNOSMSSA-ZETCQYMHSA-N -1 1 277.315 3.114 20 0 CGADMM CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000565107998 322060992 /nfs/dbraw/zinc/06/09/92/322060992.db2.gz SWXDBYGLNBAZAU-ZIAGYGMSSA-N -1 1 295.379 3.206 20 0 CGADMM CCCC[C@H](C(=O)[O-])N1CCC[C@@H]1c1ccc(COC)o1 ZINC000565107998 322060994 /nfs/dbraw/zinc/06/09/94/322060994.db2.gz SWXDBYGLNBAZAU-ZIAGYGMSSA-N -1 1 295.379 3.206 20 0 CGADMM Cc1ccc(CCSc2ncc(C)c(=O)[n-]2)cc1 ZINC000565242090 322069291 /nfs/dbraw/zinc/06/92/91/322069291.db2.gz ZNGWUXMJUBYHAV-UHFFFAOYSA-N -1 1 260.362 3.134 20 0 CGADMM C[C@@H](CC(=O)[O-])N(C)Cc1nc(-c2ccccc2)cs1 ZINC000569709328 322255173 /nfs/dbraw/zinc/25/51/73/322255173.db2.gz BJTINNXWWKDZGY-NSHDSACASA-N -1 1 290.388 3.105 20 0 CGADMM Cc1cnc(SC[C@H]2CCC3(CCCC3)O2)[n-]c1=O ZINC000572424758 322336821 /nfs/dbraw/zinc/33/68/21/322336821.db2.gz RYORQFWFMSLGTH-LLVKDONJSA-N -1 1 280.393 3.075 20 0 CGADMM CCc1nc(S[C@H](C)c2cccnc2)[n-]c(=O)c1C ZINC000577192709 327089853 /nfs/dbraw/zinc/08/98/53/327089853.db2.gz RZIVXDFBPLECLB-SNVBAGLBSA-N -1 1 275.377 3.301 20 0 CGADMM CCCn1nc(C)c(-c2cc3nc[nH]c3c(C(=O)[O-])c2)c1C ZINC000583705014 329086504 /nfs/dbraw/zinc/08/65/04/329086504.db2.gz YLILZONGJVSFBL-UHFFFAOYSA-N -1 1 298.346 3.151 20 0 CGADMM CCc1nc(S[C@H](C)c2ncc(C)o2)[n-]c(=O)c1C ZINC000582676167 329124045 /nfs/dbraw/zinc/12/40/45/329124045.db2.gz DTBZFDPZNAFYLU-SECBINFHSA-N -1 1 279.365 3.203 20 0 CGADMM Cc1oc(CN(C)Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000035432223 330246407 /nfs/dbraw/zinc/24/64/07/330246407.db2.gz MPKQGGULFOGOAQ-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM CC(C)C1(NC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000379711442 330898870 /nfs/dbraw/zinc/89/88/70/330898870.db2.gz GHQYOXCHGAJJNI-UHFFFAOYSA-N -1 1 298.180 3.073 20 0 CGADMM CC1(C)CCC[C@@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1=O ZINC000576248145 335177590 /nfs/dbraw/zinc/17/75/90/335177590.db2.gz PDEWPJQYAYSYJD-LLVKDONJSA-N -1 1 292.404 3.300 20 0 CGADMM Cc1ccc(Cc2nc(-c3ccc([O-])cc3F)no2)o1 ZINC000350817129 335536751 /nfs/dbraw/zinc/53/67/51/335536751.db2.gz WIPBNPHRJRGHAL-UHFFFAOYSA-N -1 1 274.251 3.074 20 0 CGADMM Cc1n[nH]c(C)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180421672 335581724 /nfs/dbraw/zinc/58/17/24/335581724.db2.gz VCPBXQNKYCHORZ-UHFFFAOYSA-N -1 1 299.252 3.003 20 0 CGADMM Cc1cc(F)ccc1NC(=O)c1ccc([O-])cc1F ZINC000181097339 335750277 /nfs/dbraw/zinc/75/02/77/335750277.db2.gz JXVNGOOIUAKNMN-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@H]1CC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000381748156 336072416 /nfs/dbraw/zinc/07/24/16/336072416.db2.gz QSORLVFARWMQCS-IINYFYTJSA-N -1 1 255.317 3.074 20 0 CGADMM C[N@@H+](CCOCc1ccccc1)Cc1ccccc1C(=O)[O-] ZINC000383718937 336117070 /nfs/dbraw/zinc/11/70/70/336117070.db2.gz UDKMWJJGJZFWRE-UHFFFAOYSA-N -1 1 299.370 3.033 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1c(F)cccc1F ZINC000436946939 533742182 /nfs/dbraw/zinc/74/21/82/533742182.db2.gz YHGHCMXPUFECOO-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000162940119 533807840 /nfs/dbraw/zinc/80/78/40/533807840.db2.gz XIEKLIWJCHJLBZ-DTWKUNHWSA-N -1 1 298.180 3.025 20 0 CGADMM C[C@@H]1C[C@H](CNC(=O)c2cc3ccccc3cc2[O-])[C@H](C)O1 ZINC000412643934 533869871 /nfs/dbraw/zinc/86/98/71/533869871.db2.gz QAQGIMKHWAILIX-TYNCELHUSA-N -1 1 299.370 3.089 20 0 CGADMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)ns1 ZINC000436881245 533999865 /nfs/dbraw/zinc/99/98/65/533999865.db2.gz WQIHPRIPDUQLJC-UHFFFAOYSA-N -1 1 277.280 3.013 20 0 CGADMM [O-]c1ccc(-c2noc(Cc3cccs3)n2)cc1F ZINC000445487680 534451381 /nfs/dbraw/zinc/45/13/81/534451381.db2.gz UFVYQGJQEQEOMC-UHFFFAOYSA-N -1 1 276.292 3.234 20 0 CGADMM CSCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129437003 525391323 /nfs/dbraw/zinc/39/13/23/525391323.db2.gz ZWZMSPFBLBGGFW-UHFFFAOYSA-N -1 1 259.758 3.127 20 0 CGADMM CC(=O)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000336176986 527268000 /nfs/dbraw/zinc/26/80/00/527268000.db2.gz KJLVTRDKFPHIIV-UHFFFAOYSA-N -1 1 279.679 3.094 20 0 CGADMM CCCCC[C@H]1CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000427767895 528275034 /nfs/dbraw/zinc/27/50/34/528275034.db2.gz QBTBHQAYWAFKAB-ZDUSSCGKSA-N -1 1 276.380 3.281 20 0 CGADMM CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccccc1[O-] ZINC000436821697 528282689 /nfs/dbraw/zinc/28/26/89/528282689.db2.gz XKMWWVXVIOBNIN-GFCCVEGCSA-N -1 1 287.363 3.448 20 0 CGADMM CC(C)N(Cc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436766461 528946281 /nfs/dbraw/zinc/94/62/81/528946281.db2.gz DMPNSSSZHQVMAE-UHFFFAOYSA-N -1 1 297.354 3.012 20 0 CGADMM CCN(C(=O)c1ccccc1[O-])c1ccccc1OC ZINC000436539205 529092632 /nfs/dbraw/zinc/09/26/32/529092632.db2.gz KVBDOKPDHZGGIX-UHFFFAOYSA-N -1 1 271.316 3.068 20 0 CGADMM Cc1cc(C)c(CNCc2ccc(C(=O)[O-])o2)c(C)c1 ZINC000738356284 571671567 /nfs/dbraw/zinc/67/15/67/571671567.db2.gz TXEYJUFXXDSCSZ-UHFFFAOYSA-N -1 1 273.332 3.193 20 0 CGADMM Cc1oc(CNC(C)(C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000738979196 572398548 /nfs/dbraw/zinc/39/85/48/572398548.db2.gz LJWMTQWITUCDGG-UHFFFAOYSA-N -1 1 291.322 3.450 20 0 CGADMM CC[C@@H](c1ccc(F)cc1F)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739278983 572407240 /nfs/dbraw/zinc/40/72/40/572407240.db2.gz PHUNYLQAJXZRTH-HZMBPMFUSA-N -1 1 298.333 3.005 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC2(CCCC2)C1 ZINC000743768520 572682022 /nfs/dbraw/zinc/68/20/22/572682022.db2.gz XSYWDJTXSFEHDB-UHFFFAOYSA-N -1 1 279.767 3.452 20 0 CGADMM CCCC[C@@H]1CCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000736441689 572792189 /nfs/dbraw/zinc/79/21/89/572792189.db2.gz SSZDLRAENNVHGU-VXGBXAGGSA-N -1 1 286.383 3.033 20 0 CGADMM CCCC[C@@H]1CCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000736441689 572792193 /nfs/dbraw/zinc/79/21/93/572792193.db2.gz SSZDLRAENNVHGU-VXGBXAGGSA-N -1 1 286.383 3.033 20 0 CGADMM C[C@H]1Cc2ccccc2CN1Cc1ccc(F)cc1C(=O)[O-] ZINC000736823878 572819618 /nfs/dbraw/zinc/81/96/18/572819618.db2.gz FACNBIZUKHNTQH-LBPRGKRZSA-N -1 1 299.345 3.471 20 0 CGADMM COc1ccccc1COC(=O)c1c([O-])cc(F)cc1F ZINC000749279531 572991524 /nfs/dbraw/zinc/99/15/24/572991524.db2.gz OBBHPLQPVCLPGD-UHFFFAOYSA-N -1 1 294.253 3.036 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000750251277 573105358 /nfs/dbraw/zinc/10/53/58/573105358.db2.gz PIMJHKBSGKWJOR-PHIMTYICSA-N -1 1 279.767 3.308 20 0 CGADMM CC(C)[C@@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC000820020309 599098724 /nfs/dbraw/zinc/09/87/24/599098724.db2.gz DNJYVPYGLQDJBC-MRVPVSSYSA-N -1 1 266.345 3.142 20 0 CGADMM CCCCc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821077373 607307727 /nfs/dbraw/zinc/30/77/27/607307727.db2.gz CPHACUIXHSEKDX-UHFFFAOYSA-N -1 1 297.362 3.414 20 0 CGADMM CCCCc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821077373 607307728 /nfs/dbraw/zinc/30/77/28/607307728.db2.gz CPHACUIXHSEKDX-UHFFFAOYSA-N -1 1 297.362 3.414 20 0 CGADMM CCCc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821142316 607308045 /nfs/dbraw/zinc/30/80/45/607308045.db2.gz GMOXJWOQNBIMRC-UHFFFAOYSA-N -1 1 283.335 3.024 20 0 CGADMM CCCc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821142316 607308046 /nfs/dbraw/zinc/30/80/46/607308046.db2.gz GMOXJWOQNBIMRC-UHFFFAOYSA-N -1 1 283.335 3.024 20 0 CGADMM CCc1noc(C)c1[C@H](C)NCc1cccc(C(=O)[O-])c1 ZINC000820503777 598192824 /nfs/dbraw/zinc/19/28/24/598192824.db2.gz AMGIGAZLFROIEC-JTQLQIEISA-N -1 1 288.347 3.094 20 0 CGADMM C[C@H]1CN(Cc2c(Cl)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000113396810 601514844 /nfs/dbraw/zinc/51/48/44/601514844.db2.gz AITFSKLAUDSWMV-IUCAKERBSA-N -1 1 288.174 3.146 20 0 CGADMM O=C([O-])N1CC[C@@H](CN2CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000831878776 604100289 /nfs/dbraw/zinc/10/02/89/604100289.db2.gz NNAIUCMIBNFMNY-SMDDNHRTSA-N -1 1 294.782 3.087 20 0 CGADMM O=C([O-])c1cc(CN2CCC[C@H]2c2cccc(F)c2)c[nH]1 ZINC000833780121 604536091 /nfs/dbraw/zinc/53/60/91/604536091.db2.gz QZJVQDXNJCAQPR-HNNXBMFYSA-N -1 1 288.322 3.189 20 0 CGADMM C[C@H](c1ccccn1)N(C)Cc1ccsc1C(=O)[O-] ZINC000833548689 604564628 /nfs/dbraw/zinc/56/46/28/604564628.db2.gz HBGVJYWBVJNNSE-SNVBAGLBSA-N -1 1 276.361 3.034 20 0 CGADMM C[C@H](c1ccncc1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000383984806 604719058 /nfs/dbraw/zinc/71/90/58/604719058.db2.gz SVINQVQNCJBSEF-SNVBAGLBSA-N -1 1 276.361 3.034 20 0 CGADMM CCCC[C@@H](CNC(=O)[O-])N[C@H](C)c1cccnc1Cl ZINC000826806761 605112974 /nfs/dbraw/zinc/11/29/74/605112974.db2.gz QMPDNEZAXPXQOI-MNOVXSKESA-N -1 1 299.802 3.212 20 0 CGADMM C/C(=C/CN[C@@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC000833381741 605174015 /nfs/dbraw/zinc/17/40/15/605174015.db2.gz DVWQWYJAOBKEMM-XZLDQRQTSA-N -1 1 271.719 3.161 20 0 CGADMM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccco1 ZINC000834261261 605566007 /nfs/dbraw/zinc/56/60/07/605566007.db2.gz AJQFCLBIICCUAY-AWEZNQCLSA-N -1 1 272.304 3.147 20 0 CGADMM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1ccco1 ZINC000834261266 605566018 /nfs/dbraw/zinc/56/60/18/605566018.db2.gz AJQFCLBIICCUAY-CQSZACIVSA-N -1 1 272.304 3.147 20 0 CGADMM O=C(OCc1ccc(Cl)nc1)c1c([O-])cc(F)cc1F ZINC000063543587 617616931 /nfs/dbraw/zinc/61/69/31/617616931.db2.gz CKYPBEWRHRUJIM-UHFFFAOYSA-N -1 1 299.660 3.076 20 0 CGADMM Cc1sc([C@H](C)NCc2ccccc2C)nc1C(=O)[O-] ZINC000900074944 620755869 /nfs/dbraw/zinc/75/58/69/620755869.db2.gz FTRALJBZJKZFEE-JTQLQIEISA-N -1 1 290.388 3.309 20 0 CGADMM COC1(CNC(=O)c2ccc([O-])c(F)c2)CCCCCC1 ZINC000890839622 617880163 /nfs/dbraw/zinc/88/01/63/617880163.db2.gz MGWLYXKRZMIZND-UHFFFAOYSA-N -1 1 295.354 3.001 20 0 CGADMM CC(C)(C)CC(C)(C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000892154336 618561947 /nfs/dbraw/zinc/56/19/47/618561947.db2.gz XEDYACQYTOBBMZ-UHFFFAOYSA-N -1 1 292.305 3.224 20 0 CGADMM CS[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000075178364 618765696 /nfs/dbraw/zinc/76/56/96/618765696.db2.gz SLIAXJNPTDYGFR-NXEZZACHSA-N -1 1 285.796 3.060 20 0 CGADMM CCCn1cc(NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000191362768 618773015 /nfs/dbraw/zinc/77/30/15/618773015.db2.gz RKTUGGRBZMSAMV-UHFFFAOYSA-N -1 1 283.734 3.403 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ncc(C)s2)n1 ZINC000179732041 618800459 /nfs/dbraw/zinc/80/04/59/618800459.db2.gz AAVWBNKUGAEKIL-UHFFFAOYSA-N -1 1 281.406 3.192 20 0 CGADMM CC(C)[C@H](C)N(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895702207 619873448 /nfs/dbraw/zinc/87/34/48/619873448.db2.gz JPKKJHRLBMGYCX-NSHDSACASA-N -1 1 287.359 3.368 20 0 CGADMM [O-]c1ccc(-c2noc([C@H](O)C3CCCCC3)n2)cc1F ZINC000896223444 619966918 /nfs/dbraw/zinc/96/69/18/619966918.db2.gz FQXSYZYZUCFJMY-CYBMUJFWSA-N -1 1 292.310 3.195 20 0 CGADMM [O-]c1ccc(-c2nc([C@@H]3CC3(Cl)Cl)no2)c(F)c1 ZINC000896808945 620066252 /nfs/dbraw/zinc/06/62/52/620066252.db2.gz FADNJPGDOHYDQB-ZETCQYMHSA-N -1 1 289.093 3.243 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])C1C[C@H]2CC[C@@H](C1)S2 ZINC000897014822 620119099 /nfs/dbraw/zinc/11/90/99/620119099.db2.gz ORRKMFGEUHTDST-UQPYNNQESA-N -1 1 281.352 3.144 20 0 CGADMM O=c1nc(NC[C@H]2CCC=CCCC2)cc(Cl)[n-]1 ZINC000897245683 620171500 /nfs/dbraw/zinc/17/15/00/620171500.db2.gz GQUDTJTUNNHBKK-JTQLQIEISA-N -1 1 267.760 3.384 20 0 CGADMM CC1(C)C(C)(C)C1(C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000897478160 620345709 /nfs/dbraw/zinc/34/57/09/620345709.db2.gz MBJWTCZZIVBJPG-UHFFFAOYSA-N -1 1 255.749 3.072 20 0 CGADMM C[C@H]1[C@@H](C)N(C(=O)c2ccc3ccc(O)cc3c2[O-])C[C@H]1C ZINC000897989565 620463074 /nfs/dbraw/zinc/46/30/74/620463074.db2.gz OBDYTQRNGUEEAM-IJLUTSLNSA-N -1 1 299.370 3.368 20 0 CGADMM CCc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1C ZINC000901292079 620855477 /nfs/dbraw/zinc/85/54/77/620855477.db2.gz PGQUDOGXQGIDQT-UHFFFAOYSA-N -1 1 297.358 3.183 20 0 CGADMM C[C@H](O)CCCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901616110 620954854 /nfs/dbraw/zinc/95/48/54/620954854.db2.gz KNKURYQSLHXMAM-NSHDSACASA-N -1 1 290.388 3.102 20 0 CGADMM O=C([O-])[C@@H](CC1CC1)N[C@@H](CCc1ccccc1)C(F)F ZINC000901786231 621019329 /nfs/dbraw/zinc/01/93/29/621019329.db2.gz JCJOFVQEOWEQRM-UONOGXRCSA-N -1 1 297.345 3.096 20 0 CGADMM O=C([O-])c1ccc(CN[C@H]2CCc3c2cccc3Cl)o1 ZINC000902175740 621176417 /nfs/dbraw/zinc/17/64/17/621176417.db2.gz UTZCFNCWRSRRNN-ZDUSSCGKSA-N -1 1 291.734 3.408 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@H]1c1ccccc1 ZINC000902511871 621350427 /nfs/dbraw/zinc/35/04/27/621350427.db2.gz DRFFKGPQWJEYGI-AWEZNQCLSA-N -1 1 271.316 3.233 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CNCc2ccc(C(=O)[O-])s2)o1 ZINC000903676584 621787220 /nfs/dbraw/zinc/78/72/20/621787220.db2.gz ASMRFEQRNHEULA-JOYOIKCWSA-N -1 1 291.372 3.453 20 0 CGADMM Cc1nc(CN2CC[C@@H](C(=O)[O-])[C@H]2C)sc1C(C)(C)C ZINC000903904280 621831187 /nfs/dbraw/zinc/83/11/87/621831187.db2.gz IRYBZKHZQLFTFZ-GHMZBOCLSA-N -1 1 296.436 3.044 20 0 CGADMM CCc1ccc(CN[C@@H](CCCC(C)C)C(=O)[O-])o1 ZINC000904038323 621857457 /nfs/dbraw/zinc/85/74/57/621857457.db2.gz IZSYGRFRUBVWCT-AWEZNQCLSA-N -1 1 267.369 3.211 20 0 CGADMM Cc1cc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)ccc1Cl ZINC000905027168 622031808 /nfs/dbraw/zinc/03/18/08/622031808.db2.gz XUMCDEWWGVNVLI-ISVAXAHUSA-N -1 1 262.740 3.397 20 0 CGADMM O=C([O-])c1cc(CN[C@@H]2CCCc3cccnc32)cs1 ZINC000905747522 622099196 /nfs/dbraw/zinc/09/91/96/622099196.db2.gz BEXPPPVHTJFBDL-GFCCVEGCSA-N -1 1 288.372 3.009 20 0 CGADMM Cc1cc(F)ccc1[C@H](C)NCc1ccc(C(=O)[O-])cn1 ZINC000905726401 622101111 /nfs/dbraw/zinc/10/11/11/622101111.db2.gz CGQRFLUICQNRQQ-NSHDSACASA-N -1 1 288.322 3.078 20 0 CGADMM COc1ccc([C@H](C)NCc2ccc(C(=O)[O-])o2)cc1C ZINC000905727529 622101137 /nfs/dbraw/zinc/10/11/37/622101137.db2.gz NTAAQJGDEANPKG-NSHDSACASA-N -1 1 289.331 3.146 20 0 CGADMM O=C(C[C@@H]1CCC2(CCC2)O1)Nc1cc([O-])c(F)cc1F ZINC000909972812 622440050 /nfs/dbraw/zinc/44/00/50/622440050.db2.gz PJSMYZFBLQNDMP-VIFPVBQESA-N -1 1 297.301 3.101 20 0 CGADMM O=C(C[C@@H]1C[C@H]1C1CC1)Nc1cc([O-])c(F)cc1F ZINC000909971989 622440125 /nfs/dbraw/zinc/44/01/25/622440125.db2.gz JTHUTQJTPOVFOM-IUCAKERBSA-N -1 1 267.275 3.045 20 0 CGADMM CCC[C@@H](CC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909971921 622440396 /nfs/dbraw/zinc/44/03/96/622440396.db2.gz HKVWDVQYEMBQSW-MRVPVSSYSA-N -1 1 257.280 3.435 20 0 CGADMM CC[C@@H](C)CCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909986739 622443795 /nfs/dbraw/zinc/44/37/95/622443795.db2.gz ALHLOIFYGXEJDL-MRVPVSSYSA-N -1 1 257.280 3.435 20 0 CGADMM CC(C(=O)Nc1cc([O-])c(F)cc1F)=C1CCC1 ZINC000909988105 622444261 /nfs/dbraw/zinc/44/42/61/622444261.db2.gz VESDZVOBOLXDGI-UHFFFAOYSA-N -1 1 253.248 3.109 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCC(F)(F)C1 ZINC000910994371 622514047 /nfs/dbraw/zinc/51/40/47/622514047.db2.gz SULDOJWLFQFSRP-LURJTMIESA-N -1 1 277.217 3.044 20 0 CGADMM O=C(CCc1ccc(Cl)cc1Cl)[N-]OCC(F)F ZINC000759336920 623528518 /nfs/dbraw/zinc/52/85/18/623528518.db2.gz GQNOQYJKVMIOGO-UHFFFAOYSA-N -1 1 298.116 3.239 20 0 CGADMM CC(C)c1ccc(CNCc2cccc(C(=O)[O-])n2)cc1 ZINC000232772199 623890707 /nfs/dbraw/zinc/89/07/07/623890707.db2.gz CCHYDRLROFFRRR-UHFFFAOYSA-N -1 1 284.359 3.193 20 0 CGADMM O=C(N[C@@H]1CCCc2occc21)c1c([O-])cccc1Cl ZINC000920443258 624494269 /nfs/dbraw/zinc/49/42/69/624494269.db2.gz AUMYJQWDBWFZKQ-LLVKDONJSA-N -1 1 291.734 3.446 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H]2CC2(Cl)Cl)n1 ZINC000767060989 624614103 /nfs/dbraw/zinc/61/41/03/624614103.db2.gz CBNMZFURQCFQLO-LURJTMIESA-N -1 1 279.192 3.031 20 0 CGADMM CC[C@]1(C(=O)[O-])CCCN(Cc2coc(C(C)(C)C)n2)C1 ZINC000923473625 626156303 /nfs/dbraw/zinc/15/63/03/626156303.db2.gz TYKZRPRMUNAAMS-INIZCTEOSA-N -1 1 294.395 3.049 20 0 CGADMM C[C@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000788158384 626358267 /nfs/dbraw/zinc/35/82/67/626358267.db2.gz GWUQRIHTAUHQBT-VIFPVBQESA-N -1 1 276.723 3.183 20 0 CGADMM O=C([O-])C[C@H](NCc1cccnc1Cl)c1cccs1 ZINC000789897645 626367777 /nfs/dbraw/zinc/36/77/77/626367777.db2.gz MWKGGCGCUNTFSW-JTQLQIEISA-N -1 1 296.779 3.102 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc(Cl)cs1 ZINC000760473371 626973234 /nfs/dbraw/zinc/97/32/34/626973234.db2.gz SWDMYYWJRKKVGP-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM CC(C)(O)c1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000760891852 627000786 /nfs/dbraw/zinc/00/07/86/627000786.db2.gz JQNJBSFRAVZVRN-UHFFFAOYSA-N -1 1 289.306 3.011 20 0 CGADMM C[C@H]1CCC(=CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000762792737 627124400 /nfs/dbraw/zinc/12/44/00/627124400.db2.gz DPWFPNXRZPHZSY-UTEVDWOZSA-N -1 1 297.358 3.467 20 0 CGADMM CC[C@@H](CC(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000766770119 627359441 /nfs/dbraw/zinc/35/94/41/627359441.db2.gz VHDMUQNAMMOECI-JTQLQIEISA-N -1 1 275.270 3.180 20 0 CGADMM Cc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])no1 ZINC000769628167 627570239 /nfs/dbraw/zinc/57/02/39/627570239.db2.gz LQBMZEDZXULKCL-UHFFFAOYSA-N -1 1 260.293 3.064 20 0 CGADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccncc1 ZINC000769908133 627588656 /nfs/dbraw/zinc/58/86/56/627588656.db2.gz LHHDOCMEHXJXEZ-GFCCVEGCSA-N -1 1 290.750 3.322 20 0 CGADMM O=C(N[C@H]1CC12CCCCC2)c1c([O-])cccc1Cl ZINC000771284780 627696329 /nfs/dbraw/zinc/69/63/29/627696329.db2.gz UMHINWNFGPCOTG-LBPRGKRZSA-N -1 1 279.767 3.498 20 0 CGADMM CS[C@H]1CCCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000772562530 627802867 /nfs/dbraw/zinc/80/28/67/627802867.db2.gz IUPLVHYVPQUSKF-JTQLQIEISA-N -1 1 299.823 3.403 20 0 CGADMM O=C(OC/C=C/c1ccccc1)c1ccc([O-])cc1F ZINC000773565581 627897197 /nfs/dbraw/zinc/89/71/97/627897197.db2.gz KEUMEOGPSDDMIK-QPJJXVBHSA-N -1 1 272.275 3.402 20 0 CGADMM CC[C@@H](CSC)N(C)C(=O)c1c([O-])cccc1Cl ZINC000773974540 627934386 /nfs/dbraw/zinc/93/43/86/627934386.db2.gz SWBNIEZNSHGINE-VIFPVBQESA-N -1 1 287.812 3.259 20 0 CGADMM COc1cccc([C@@H](C)C(=O)[N-]OC2CCCCC2)c1 ZINC000777960342 628314451 /nfs/dbraw/zinc/31/44/51/628314451.db2.gz DAZFTAOEOCOOTQ-GFCCVEGCSA-N -1 1 277.364 3.179 20 0 CGADMM O=C([N-]Oc1ccccc1F)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000874910371 634649174 /nfs/dbraw/zinc/64/91/74/634649174.db2.gz QGJUULXSAIQOAV-IUCAKERBSA-N -1 1 291.244 3.214 20 0 CGADMM CCCCOc1ccccc1C=C1SC(=O)[N-]C1=O ZINC000874929293 634654255 /nfs/dbraw/zinc/65/42/55/634654255.db2.gz YJULNEBHPBDGJT-FMIVXFBMSA-N -1 1 277.345 3.189 20 0 CGADMM CC(C)(C)/C=C/C(=O)Nc1nc(Br)ccc1[O-] ZINC000789922080 629173858 /nfs/dbraw/zinc/17/38/58/629173858.db2.gz DYOCNNRVWHXKPF-VOTSOKGWSA-N -1 1 299.168 3.091 20 0 CGADMM O=C(CCCc1ccccc1)Nc1nc(Cl)ccc1[O-] ZINC000789930263 629174751 /nfs/dbraw/zinc/17/47/51/629174751.db2.gz QGMDQDWWDHLVNK-UHFFFAOYSA-N -1 1 290.750 3.402 20 0 CGADMM Cc1ccc(C)c(CC(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000789929996 629174792 /nfs/dbraw/zinc/17/47/92/629174792.db2.gz LWUPOMYGBZKLQL-UHFFFAOYSA-N -1 1 290.750 3.239 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])C(F)(F)c1ccccc1 ZINC000789929713 629174878 /nfs/dbraw/zinc/17/48/78/629174878.db2.gz CQUFCVDOSBNZSX-UHFFFAOYSA-N -1 1 298.676 3.171 20 0 CGADMM CCCC1(C(=O)Nc2nc(Cl)ccc2[O-])CCC1 ZINC000790047891 629179937 /nfs/dbraw/zinc/17/99/37/629179937.db2.gz LGFDRJCMSHBVOQ-UHFFFAOYSA-N -1 1 268.744 3.350 20 0 CGADMM COC(=O)c1ccc(C(=O)Oc2ccc(C3CCC3)cc2)[n-]1 ZINC000797090197 629883961 /nfs/dbraw/zinc/88/39/61/629883961.db2.gz COKCCYPOKLFDKX-UHFFFAOYSA-N -1 1 299.326 3.288 20 0 CGADMM Cc1cnc(SCC2CC3(CCC3)C2)[n-]c1=O ZINC000865369254 630079323 /nfs/dbraw/zinc/07/93/23/630079323.db2.gz OOSLYMROZRROGO-UHFFFAOYSA-N -1 1 250.367 3.163 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@H]1c1ccccc1 ZINC000802887259 630424600 /nfs/dbraw/zinc/42/46/00/630424600.db2.gz FZEKUZKFLDWIJV-NWDGAFQWSA-N -1 1 271.291 3.274 20 0 CGADMM O=C(NCCC1(F)CCC1)c1c([O-])cccc1Cl ZINC000807800789 630599717 /nfs/dbraw/zinc/59/97/17/630599717.db2.gz NNXGKTUODLFOEV-UHFFFAOYSA-N -1 1 271.719 3.058 20 0 CGADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)CCC1(F)F ZINC000811602447 631091286 /nfs/dbraw/zinc/09/12/86/631091286.db2.gz YKESKWSESUBRBD-QMMMGPOBSA-N -1 1 289.709 3.163 20 0 CGADMM CCC(=CC(=O)Nc1ccc([O-])c(F)c1F)CC ZINC000837085985 634852039 /nfs/dbraw/zinc/85/20/39/634852039.db2.gz HYSJWQGCLUJGKN-UHFFFAOYSA-N -1 1 255.264 3.355 20 0 CGADMM CC(C)n1cc2c(n1)[C@H]([N-]c1nnc(C(F)F)o1)CCC2 ZINC000814367754 631575319 /nfs/dbraw/zinc/57/53/19/631575319.db2.gz XTFDPLKZBCBTNU-SECBINFHSA-N -1 1 297.309 3.274 20 0 CGADMM C[C@@H](CN(C)Cc1cc2ccccc2nc1Cl)C(=O)[O-] ZINC000817873653 632229688 /nfs/dbraw/zinc/22/96/88/632229688.db2.gz HMXXXHGSOKCOEP-JTQLQIEISA-N -1 1 292.766 3.041 20 0 CGADMM CC[C@H](C)[C@@H](C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000819967213 632551947 /nfs/dbraw/zinc/55/19/47/632551947.db2.gz CRLXHDCOXPIFMI-VHSXEESVSA-N -1 1 276.336 3.073 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000827448923 633491968 /nfs/dbraw/zinc/49/19/68/633491968.db2.gz ZRGUOOXQPHNKAC-RTCCRHLQSA-N -1 1 263.312 3.296 20 0 CGADMM Cc1[n-]n(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)c1F ZINC000871957325 633926833 /nfs/dbraw/zinc/92/68/33/633926833.db2.gz RJMYJPKBTPUHOF-SECBINFHSA-N -1 1 294.635 3.419 20 0 CGADMM O=c1c2c([n-]n1[C@H]1CCOC3(CCCC3)C1)CCCCC2 ZINC000871964790 633931969 /nfs/dbraw/zinc/93/19/69/633931969.db2.gz ZRXWRQXYDBZJCZ-UONOGXRCSA-N -1 1 290.407 3.257 20 0 CGADMM CCC(C)(C)CCS(=O)(=O)[N-]c1sc(C)nc1C ZINC000872359195 634116973 /nfs/dbraw/zinc/11/69/73/634116973.db2.gz VHSAKVAGNCNABS-UHFFFAOYSA-N -1 1 290.454 3.328 20 0 CGADMM O=C(N[C@@H]1CCSC2(CCC2)C1)c1ccc([O-])cc1F ZINC000834735822 634232597 /nfs/dbraw/zinc/23/25/97/634232597.db2.gz YRDFUDZSCBYHPI-SNVBAGLBSA-N -1 1 295.379 3.079 20 0 CGADMM CC(C)(C(=O)NCc1ccc([O-])c(Cl)c1)C(C)(F)F ZINC000834822446 634247973 /nfs/dbraw/zinc/24/79/73/634247973.db2.gz OBASEEUJWYOCKI-UHFFFAOYSA-N -1 1 291.725 3.343 20 0 CGADMM CC(C)C[C@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825341 634248354 /nfs/dbraw/zinc/24/83/54/634248354.db2.gz KECYBQNWDUKRPS-JTQLQIEISA-N -1 1 269.772 3.344 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)C1(F)CCCCC1 ZINC000834821561 634248561 /nfs/dbraw/zinc/24/85/61/634248561.db2.gz BJVOHHATRQGIEJ-UHFFFAOYSA-N -1 1 285.746 3.334 20 0 CGADMM C[C@H]1CC/C(=C\C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000834828848 634249287 /nfs/dbraw/zinc/24/92/87/634249287.db2.gz BHBMYAYNYIFETP-NGPGYTDTSA-N -1 1 279.767 3.408 20 0 CGADMM CC1=C(C(=O)NCc2ccc([O-])c(Cl)c2)CCC1 ZINC000834829216 634250811 /nfs/dbraw/zinc/25/08/11/634250811.db2.gz OLPNBWRAUJQWAQ-UHFFFAOYSA-N -1 1 265.740 3.162 20 0 CGADMM CC(C)(C)C1=N/C(=C\c2cccc([O-])c2Cl)C(=O)O1 ZINC000840730870 635043678 /nfs/dbraw/zinc/04/36/78/635043678.db2.gz ZFAIZBCZZAAEBN-CLFYSBASSA-N -1 1 279.723 3.388 20 0 CGADMM Cc1ccc2c(c1)C(=O)N[C@@H](c1ccc([O-])c(Cl)c1)N2 ZINC000877862585 635244053 /nfs/dbraw/zinc/24/40/53/635244053.db2.gz ZRGDISWFMLLUOX-AWEZNQCLSA-N -1 1 288.734 3.208 20 0 CGADMM CC1(C)CO[C@H](CCC(=O)Nc2c([O-])cccc2F)C1 ZINC000878866379 635646315 /nfs/dbraw/zinc/64/63/15/635646315.db2.gz KHXZWNBOHZADKN-SNVBAGLBSA-N -1 1 281.327 3.065 20 0 CGADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)[C@@H]1CCCCO1 ZINC000848350107 636561398 /nfs/dbraw/zinc/56/13/98/636561398.db2.gz MNLKYFDMELTOPA-AAEUAGOBSA-N -1 1 297.782 3.123 20 0 CGADMM CC(C)(C)SCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000302473803 637901217 /nfs/dbraw/zinc/90/12/17/637901217.db2.gz RGXNAYXTHHZCHL-UHFFFAOYSA-N -1 1 279.405 3.232 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C=Cc1cc(C)c(C)cc1C ZINC000854634930 638079017 /nfs/dbraw/zinc/07/90/17/638079017.db2.gz JJIHEXJKMSINET-WAYWQWQTSA-N -1 1 285.347 3.001 20 0 CGADMM C[C@]1(CCNC(=O)c2c([O-])cccc2Cl)CC1(F)F ZINC000855807779 638256714 /nfs/dbraw/zinc/25/67/14/638256714.db2.gz VSITXBQLJIXNKO-LBPRGKRZSA-N -1 1 289.709 3.211 20 0 CGADMM O=c1nc(NCCC2CCCCC2)cc(Cl)[n-]1 ZINC000858343832 638687469 /nfs/dbraw/zinc/68/74/69/638687469.db2.gz FADWLOWALNSXMX-UHFFFAOYSA-N -1 1 255.749 3.218 20 0 CGADMM C[C@@H]1CCCC[C@@H]1CCNc1cc(Cl)[n-]c(=O)n1 ZINC000858410827 638707493 /nfs/dbraw/zinc/70/74/93/638707493.db2.gz BCGMTOLOOVSSLJ-NXEZZACHSA-N -1 1 269.776 3.464 20 0 CGADMM O=c1nc(N[C@@H]2C[C@@H]2C2CCCCC2)cc(Cl)[n-]1 ZINC000858424187 638712478 /nfs/dbraw/zinc/71/24/78/638712478.db2.gz VRVVDYBWPVMBIK-NXEZZACHSA-N -1 1 267.760 3.216 20 0 CGADMM CC(C)CN(CC(C)(C)C)c1cc(Cl)[n-]c(=O)n1 ZINC000858454011 638723853 /nfs/dbraw/zinc/72/38/53/638723853.db2.gz SQHNNDBAMNFLNP-UHFFFAOYSA-N -1 1 271.792 3.344 20 0 CGADMM CCC(CC)[C@H]1C[C@@H](Nc2cc(Cl)[n-]c(=O)n2)CCO1 ZINC000858468546 638726738 /nfs/dbraw/zinc/72/67/38/638726738.db2.gz HOZNQKYDTNYCOS-WDEREUQCSA-N -1 1 299.802 3.231 20 0 CGADMM CC[C@@H]1CCC[C@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858558377 638761706 /nfs/dbraw/zinc/76/17/06/638761706.db2.gz PKFNPMJHJQERLU-BDAKNGLRSA-N -1 1 255.749 3.074 20 0 CGADMM O=c1nc(NCC2(C(F)(F)F)CCCC2)cc(Cl)[n-]1 ZINC000858824781 639024588 /nfs/dbraw/zinc/02/45/88/639024588.db2.gz XFEFEDDPTXZKMJ-UHFFFAOYSA-N -1 1 295.692 3.370 20 0 CGADMM C/C=C\C[C@@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858863097 639032875 /nfs/dbraw/zinc/03/28/75/639032875.db2.gz CBFGEWAMBFZUBW-MXQLGCADSA-N -1 1 267.760 3.018 20 0 CGADMM CC(C)[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000935021364 639732955 /nfs/dbraw/zinc/73/29/55/639732955.db2.gz XKNPETVXTRYPOL-YGRLFVJLSA-N -1 1 297.782 3.435 20 0 CGADMM CCOc1ccc(N(C)C(=O)c2ccccc2[O-])cc1 ZINC000155201519 639924391 /nfs/dbraw/zinc/92/43/91/639924391.db2.gz FZHZVFHGEBQUCU-UHFFFAOYSA-N -1 1 271.316 3.068 20 0 CGADMM O=C1[N-]C(=S)SC1=Cc1cccc2c1OCCCO2 ZINC000048578926 640060177 /nfs/dbraw/zinc/06/01/77/640060177.db2.gz BDDBHWIXJZMLQG-YFHOEESVSA-N -1 1 293.369 3.177 20 0 CGADMM O=C([O-])c1ccc(CN[C@H]2CCCc3sccc32)nc1 ZINC000094760860 640802517 /nfs/dbraw/zinc/80/25/17/640802517.db2.gz XXRBLWZAOQAKQB-ZDUSSCGKSA-N -1 1 288.372 3.009 20 0 CGADMM CC(C)(C)OC(=O)CCc1c(Cl)ccc([O-])c1F ZINC001250330657 805575668 /nfs/dbraw/zinc/57/56/68/805575668.db2.gz WHJLWVSRNJNNPQ-UHFFFAOYSA-N -1 1 274.719 3.459 20 0 CGADMM COc1ccc(-c2ccc([O-])c(F)c2F)cc1F ZINC001250620265 805729982 /nfs/dbraw/zinc/72/99/82/805729982.db2.gz JDTMOQSTXVLECG-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM Cc1cccc2c1nc(-c1cccc(F)c1[O-])n2C ZINC001250683339 805754756 /nfs/dbraw/zinc/75/47/56/805754756.db2.gz BNYUQELCYZDSHC-UHFFFAOYSA-N -1 1 256.280 3.393 20 0 CGADMM O=C(N[C@@H]1CCCC2(CC2)C1)c1c([O-])cccc1Cl ZINC001156994835 805763170 /nfs/dbraw/zinc/76/31/70/805763170.db2.gz OIBZLSAILLRCME-SNVBAGLBSA-N -1 1 279.767 3.498 20 0 CGADMM O=C([O-])c1ccccc1-c1nc2ccc3ncccc3c2[nH]1 ZINC001250880462 805793075 /nfs/dbraw/zinc/79/30/75/805793075.db2.gz YLEKNGKAWRBMAS-UHFFFAOYSA-N -1 1 289.294 3.476 20 0 CGADMM O=C([O-])c1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(O)c1 ZINC001251016926 805829250 /nfs/dbraw/zinc/82/92/50/805829250.db2.gz KBWPKODTHSEFMT-UHFFFAOYSA-N -1 1 288.690 3.287 20 0 CGADMM Cn1c(-c2cc(Cl)c([O-])cc2O)nc2cccc(F)c21 ZINC001251082439 805844138 /nfs/dbraw/zinc/84/41/38/805844138.db2.gz GQYKPSXRADZROV-UHFFFAOYSA-N -1 1 292.697 3.444 20 0 CGADMM Cc1c(F)cc([N-]S(=O)(=O)c2ccccc2)cc1F ZINC001251146424 805855646 /nfs/dbraw/zinc/85/56/46/805855646.db2.gz ZTFFVPSPVTXECB-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM CCOc1cccc2[nH]c(-c3cc(Cl)ncc3[O-])nc21 ZINC001251252408 805872146 /nfs/dbraw/zinc/87/21/46/805872146.db2.gz WGDOCMWFBTWOAT-UHFFFAOYSA-N -1 1 289.722 3.383 20 0 CGADMM Cc1cccc2c1nc(-c1ccc(F)c([O-])c1)n2C ZINC001251477687 805899437 /nfs/dbraw/zinc/89/94/37/805899437.db2.gz RWWLISXJVYZMEV-UHFFFAOYSA-N -1 1 256.280 3.393 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001251710994 805922284 /nfs/dbraw/zinc/92/22/84/805922284.db2.gz WMHDSNXMWJUUTR-UHFFFAOYSA-N -1 1 294.310 3.171 20 0 CGADMM Cc1cccc2nc(-c3ccc(F)cc3C(=O)[O-])[nH]c21 ZINC001251725179 805924703 /nfs/dbraw/zinc/92/47/03/805924703.db2.gz VLEQCWDETHMMQI-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM CN(C)c1ccc(-c2nnc(-c3ccc(F)c([O-])c3)o2)cc1 ZINC001252358044 806041497 /nfs/dbraw/zinc/04/14/97/806041497.db2.gz LVCKXMWYARHTQX-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM CCCCS(=O)(=O)[N-]c1cc(Cl)c(F)cc1OC ZINC001253871356 806317352 /nfs/dbraw/zinc/31/73/52/806317352.db2.gz OZZCNFZTTCDWAB-UHFFFAOYSA-N -1 1 295.763 3.030 20 0 CGADMM [O-]c1ccc(F)cc1-c1nnc(-c2cccc(F)c2)o1 ZINC001254205829 806364609 /nfs/dbraw/zinc/36/46/09/806364609.db2.gz KKOYLMLHEPKPNM-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CC1(C)CCC[C@@H](CNC(=O)c2cc(F)ccc2[O-])C1 ZINC001161932080 806485746 /nfs/dbraw/zinc/48/57/46/806485746.db2.gz FLKRBRDHHLSJKL-LLVKDONJSA-N -1 1 279.355 3.478 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])o1)Cc1cccc(Cl)c1 ZINC000048877661 798893309 /nfs/dbraw/zinc/89/33/09/798893309.db2.gz IGLFQMXVKQKQHF-UHFFFAOYSA-N -1 1 279.723 3.263 20 0 CGADMM O=C(NCCc1ccccc1)Nc1cc(F)c([O-])c(F)c1 ZINC000168991626 799086830 /nfs/dbraw/zinc/08/68/30/799086830.db2.gz RDDQQJRDGCCPNO-UHFFFAOYSA-N -1 1 292.285 3.035 20 0 CGADMM O=C(N[C@@H]1CCCCC12CCCC2)c1ncccc1[O-] ZINC000380835983 799367314 /nfs/dbraw/zinc/36/73/14/799367314.db2.gz VPVPMUJFNPPPRJ-CYBMUJFWSA-N -1 1 274.364 3.020 20 0 CGADMM Cc1cc(C)c(-c2noc(-c3cc(F)ccc3[O-])n2)cn1 ZINC000397397030 799516287 /nfs/dbraw/zinc/51/62/87/799516287.db2.gz BDSIVOJHCKGMRT-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM COc1ccc(-c2noc(-c3c([O-])cccc3OC)n2)cc1 ZINC000405306081 799582370 /nfs/dbraw/zinc/58/23/70/799582370.db2.gz KTWYZXHBCFXFGM-UHFFFAOYSA-N -1 1 298.298 3.126 20 0 CGADMM [O-]c1ccc(-c2nnc(Cc3ccccc3F)o2)cc1F ZINC001255860776 806772877 /nfs/dbraw/zinc/77/28/77/806772877.db2.gz POFABGIFFABZOT-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM Cc1cc(C)nc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000809470483 800439685 /nfs/dbraw/zinc/43/96/85/800439685.db2.gz HGZZVKJNUXWONK-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC2(CCC2)C1 ZINC000828920781 800484183 /nfs/dbraw/zinc/48/41/83/800484183.db2.gz SMXKJRJCZAULEK-UHFFFAOYSA-N -1 1 297.354 3.267 20 0 CGADMM O=C(Nc1ccc2cc[nH]c2c1)c1ccc([O-])c(F)c1 ZINC001256226061 806851863 /nfs/dbraw/zinc/85/18/63/806851863.db2.gz DTSMTMZXBXWPSZ-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM COc1ccnc(-c2nnc(-c3ccc(C)c(C)c3)o2)c1[O-] ZINC001256586802 806922431 /nfs/dbraw/zinc/92/24/31/806922431.db2.gz LVQNVEHKUCGQMI-UHFFFAOYSA-N -1 1 297.314 3.130 20 0 CGADMM C[C@H]1C[C@H]1c1nnc(-c2c(O)cc3ccccc3c2[O-])o1 ZINC001256632431 806933274 /nfs/dbraw/zinc/93/32/74/806933274.db2.gz FZQMVXDNDMVTSW-GZMMTYOYSA-N -1 1 282.299 3.424 20 0 CGADMM Cc1ccc2ccc(-c3nnc([C@@H]4C[C@@H]4C)o3)c([O-])c2n1 ZINC001256649219 806940189 /nfs/dbraw/zinc/94/01/89/806940189.db2.gz WHRJCLCGYNOXIV-QPUJVOFHSA-N -1 1 281.315 3.422 20 0 CGADMM CC/C=C(\C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001116758274 802405805 /nfs/dbraw/zinc/40/58/05/802405805.db2.gz SWYHLMMUIDOYNG-XBXARRHUSA-N -1 1 284.153 3.450 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ncc(Cl)s3)n2)cc1F ZINC001117603796 802471891 /nfs/dbraw/zinc/47/18/91/802471891.db2.gz BCSCNSNPWHWWTQ-UHFFFAOYSA-N -1 1 297.698 3.358 20 0 CGADMM [O-]c1cc(Cl)ccc1-c1cc(-n2ccnc2)ccn1 ZINC001244467332 803384568 /nfs/dbraw/zinc/38/45/68/803384568.db2.gz BXJKZRMMAAKOFT-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncnc3scnc32)c1F ZINC001244537286 803424354 /nfs/dbraw/zinc/42/43/54/803424354.db2.gz AWHGPCAJZXADFC-UHFFFAOYSA-N -1 1 281.699 3.251 20 0 CGADMM Cc1cnc(-c2c(F)c([O-])ccc2Cl)cc1N ZINC001244539032 803426354 /nfs/dbraw/zinc/42/63/54/803426354.db2.gz PGTXUPOFIRILPF-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM CCOc1ncc(F)c(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244538502 803426376 /nfs/dbraw/zinc/42/63/76/803426376.db2.gz OXESMCUTJZWIDM-UHFFFAOYSA-N -1 1 286.665 3.180 20 0 CGADMM CCCOc1nccnc1-c1c(Cl)ccc([O-])c1F ZINC001244540822 803427794 /nfs/dbraw/zinc/42/77/94/803427794.db2.gz SBZGRVNZQNZYJL-UHFFFAOYSA-N -1 1 282.702 3.431 20 0 CGADMM Cc1cc(-c2nccc(-c3cnccn3)n2)cc(Cl)c1[O-] ZINC001244539598 803428268 /nfs/dbraw/zinc/42/82/68/803428268.db2.gz YNJDHVIDYRPEBY-UHFFFAOYSA-N -1 1 298.733 3.268 20 0 CGADMM CC[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)C(C)(C)C ZINC001133907256 803509943 /nfs/dbraw/zinc/50/99/43/803509943.db2.gz QYFSWWNPAMQJGF-ZETCQYMHSA-N -1 1 292.305 3.224 20 0 CGADMM O=C(N[C@@H](c1cccs1)C1CC1)c1ccc(F)c([O-])c1 ZINC001136054961 803627245 /nfs/dbraw/zinc/62/72/45/803627245.db2.gz LYRUDTRPWKXHCX-CQSZACIVSA-N -1 1 291.347 3.474 20 0 CGADMM Cc1cc(-c2c(F)ccc([O-])c2Cl)nnc1C ZINC001245830737 803984037 /nfs/dbraw/zinc/98/40/37/803984037.db2.gz WBPWVOZLZHUFKO-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM O=C1NCc2c1cccc2-c1c(F)ccc([O-])c1Cl ZINC001245832134 803986677 /nfs/dbraw/zinc/98/66/77/803986677.db2.gz IHKPVYKTIFXXHC-UHFFFAOYSA-N -1 1 277.682 3.095 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3nonc3c2)c1Cl ZINC001245831693 803986812 /nfs/dbraw/zinc/98/68/12/803986812.db2.gz PFQZKDXRPHSUAA-UHFFFAOYSA-N -1 1 264.643 3.388 20 0 CGADMM COCCOc1ccc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245833991 803987905 /nfs/dbraw/zinc/98/79/05/803987905.db2.gz BBKXMROXSBDZTI-UHFFFAOYSA-N -1 1 297.713 3.272 20 0 CGADMM CC(C)Cc1cc(=O)n(-c2cc(F)cc(F)c2)[n-]1 ZINC001245932136 804060583 /nfs/dbraw/zinc/06/05/83/804060583.db2.gz IJXOEXMPYKMRPB-UHFFFAOYSA-N -1 1 252.264 3.055 20 0 CGADMM CN(C(=O)c1ccc(F)c([O-])c1)c1ccc2cc[nH]c2c1 ZINC001140050207 804360109 /nfs/dbraw/zinc/36/01/09/804360109.db2.gz NQHAUWGZYGVSTP-UHFFFAOYSA-N -1 1 284.290 3.289 20 0 CGADMM Cc1[nH]c(CN2Cc3ccccc3[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC001140493549 804446491 /nfs/dbraw/zinc/44/64/91/804446491.db2.gz CNFIPIZTACXZHK-NSHDSACASA-N -1 1 298.386 3.449 20 0 CGADMM Cc1[nH]c(CN2CCC[C@@H]2c2ccncc2)c(C)c1C(=O)[O-] ZINC001140495937 804447678 /nfs/dbraw/zinc/44/76/78/804447678.db2.gz LOKJTBWBNSFULT-OAHLLOKOSA-N -1 1 299.374 3.062 20 0 CGADMM Cc1[nH]c(CN2CCC[C@@H]3CCC[C@H]32)c(C)c1C(=O)[O-] ZINC001140497665 804448650 /nfs/dbraw/zinc/44/86/50/804448650.db2.gz QGIJQQSKQWVSBQ-GXTWGEPZSA-N -1 1 276.380 3.094 20 0 CGADMM Cc1cnccc1/C=C\C(=O)Nc1ccc([O-])c(F)c1F ZINC001140657122 804485454 /nfs/dbraw/zinc/48/54/54/804485454.db2.gz KIYLXTFLKDPGBA-DJWKRKHSSA-N -1 1 290.269 3.026 20 0 CGADMM CCC[C@H](NC(=O)c1ccc(F)c([O-])c1)C1CCC1 ZINC001142033217 804689997 /nfs/dbraw/zinc/68/99/97/804689997.db2.gz CLUYYDOKPCFAHK-ZDUSSCGKSA-N -1 1 265.328 3.230 20 0 CGADMM O=C([N-][C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)C(F)(F)F ZINC001142771323 804767052 /nfs/dbraw/zinc/76/70/52/804767052.db2.gz XQLMXTWWUXZLAV-QNWHQSFQSA-N -1 1 283.293 3.247 20 0 CGADMM CC[C@@H](CNC(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001142881166 804778561 /nfs/dbraw/zinc/77/85/61/804778561.db2.gz WLEKSCNAENTUJA-LBPRGKRZSA-N -1 1 287.334 3.455 20 0 CGADMM CCC[C@H](CC)NC(=O)c1ncc2ccccc2c1[O-] ZINC001142887203 804780773 /nfs/dbraw/zinc/78/07/73/804780773.db2.gz WDBXDNFDPXPWID-LBPRGKRZSA-N -1 1 272.348 3.249 20 0 CGADMM Cc1c(=O)[n-]c(SCc2cc[nH]n2)nc1-c1ccccc1 ZINC001165965937 807029427 /nfs/dbraw/zinc/02/94/27/807029427.db2.gz YNGJQIUKCBAXNQ-UHFFFAOYSA-N -1 1 298.371 3.173 20 0 CGADMM [O-]c1cc(F)c(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c(F)c1 ZINC001144545177 805001326 /nfs/dbraw/zinc/00/13/26/805001326.db2.gz VNEYYIKZWUGXQQ-DTORHVGOSA-N -1 1 289.272 3.148 20 0 CGADMM CN(Cc1ccc(Cl)nc1)Cc1c(F)cc([O-])cc1F ZINC001144558704 805004815 /nfs/dbraw/zinc/00/48/15/805004815.db2.gz AQYLURZFYMCEEV-UHFFFAOYSA-N -1 1 298.720 3.351 20 0 CGADMM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cccc([O-])c1F ZINC001145066215 805062616 /nfs/dbraw/zinc/06/26/16/805062616.db2.gz LPKULUHOUSFCHU-GXSJLCMTSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])nc1 ZINC001147450211 805129868 /nfs/dbraw/zinc/12/98/68/805129868.db2.gz KIJDVCOLYMGHHO-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM CC(C)C[C@H]1CCN(C(=O)c2cccc([O-])c2F)C1 ZINC001148546972 805194123 /nfs/dbraw/zinc/19/41/23/805194123.db2.gz DCFCKTJEHCGPKF-LLVKDONJSA-N -1 1 265.328 3.040 20 0 CGADMM Cc1c(N)c(F)ccc1Nc1cc([O-])c(F)c(F)c1 ZINC001249643472 805199310 /nfs/dbraw/zinc/19/93/10/805199310.db2.gz MDXSGVONMXRYQL-UHFFFAOYSA-N -1 1 268.238 3.444 20 0 CGADMM CCN(C)C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148861791 805212451 /nfs/dbraw/zinc/21/24/51/805212451.db2.gz YJCAIRHWCFHXLY-UHFFFAOYSA-N -1 1 255.317 3.151 20 0 CGADMM O=C(NCC(F)(F)F)c1cccc(-c2ccccc2)c1[O-] ZINC001148861240 805212607 /nfs/dbraw/zinc/21/26/07/805212607.db2.gz OVWQZXBICRKKJA-UHFFFAOYSA-N -1 1 295.260 3.351 20 0 CGADMM CSc1ccccc1NC(=S)N[C@@H]1[CH]CC=C1 ZINC001249715939 805222280 /nfs/dbraw/zinc/22/22/80/805222280.db2.gz ABOALERZRBIAOG-JTQLQIEISA-N -1 1 263.411 3.228 20 0 CGADMM O=C(c1cc2cccc(O)c2cc1[O-])N1CCC2(CCC2)C1 ZINC001149646832 805240590 /nfs/dbraw/zinc/24/05/90/805240590.db2.gz QVZRXNBKPWMEJJ-UHFFFAOYSA-N -1 1 297.354 3.267 20 0 CGADMM O=C(N[C@@H]1C=CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001150007621 805250051 /nfs/dbraw/zinc/25/00/51/805250051.db2.gz UYEMCSDIYVEOBZ-SNVBAGLBSA-N -1 1 285.265 3.250 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(F)s1 ZINC001151582297 805299668 /nfs/dbraw/zinc/29/96/68/805299668.db2.gz FEUWDOAZPNFYBY-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM Nc1ccc(F)c2ccn(-c3cc([O-])c(F)c(F)c3F)c21 ZINC001249966716 805331875 /nfs/dbraw/zinc/33/18/75/805331875.db2.gz KYTDXCROZRQQMK-UHFFFAOYSA-N -1 1 296.223 3.475 20 0 CGADMM Cc1cc(Nc2cc([O-])c(F)c(F)c2F)ccc1CO ZINC001249965849 805332287 /nfs/dbraw/zinc/33/22/87/805332287.db2.gz OPPRLRCRRKLHEJ-UHFFFAOYSA-N -1 1 283.249 3.354 20 0 CGADMM Cc1cnn(C2COC2)c1Nc1cc(Cl)c([O-])cc1F ZINC001250023726 805375619 /nfs/dbraw/zinc/37/56/19/805375619.db2.gz XYISLFKUPFLYIT-UHFFFAOYSA-N -1 1 297.717 3.005 20 0 CGADMM Cc1cccc(C(N)=O)c1Nc1cc(Cl)c([O-])cc1F ZINC001250026914 805378347 /nfs/dbraw/zinc/37/83/47/805378347.db2.gz RTFMYXGIPWKHRR-UHFFFAOYSA-N -1 1 294.713 3.336 20 0 CGADMM CSc1nc(Nc2ccc(F)c(C)c2F)cc(=O)[n-]1 ZINC001250045542 805386216 /nfs/dbraw/zinc/38/62/16/805386216.db2.gz GCXBSHGUSWPOIP-UHFFFAOYSA-N -1 1 283.303 3.234 20 0 CGADMM CN(CC(F)(F)F)C(=O)c1c([O-])ccc2ccccc21 ZINC001153497594 805400628 /nfs/dbraw/zinc/40/06/28/805400628.db2.gz FPOSSQPJRORDQP-UHFFFAOYSA-N -1 1 283.249 3.180 20 0 CGADMM O=S(=O)(CCc1cccc([O-])c1Cl)c1ccccc1 ZINC001250124611 805429197 /nfs/dbraw/zinc/42/91/97/805429197.db2.gz MVKGZVOSQQYFLO-UHFFFAOYSA-N -1 1 296.775 3.062 20 0 CGADMM Cc1cccc(C(=O)NCc2ccc([O-])c(Cl)c2)c1F ZINC001154105693 805433727 /nfs/dbraw/zinc/43/37/27/805433727.db2.gz NBGQPQXGHOIELG-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM CSc1cnc(F)c(Nc2ccnc(Cl)c2[O-])c1 ZINC001250137922 805438580 /nfs/dbraw/zinc/43/85/80/805438580.db2.gz FCRNLTKAWPPWTP-UHFFFAOYSA-N -1 1 285.731 3.440 20 0 CGADMM [O-]c1c(F)cc(F)c(C[C@H]2COc3ccccc3O2)c1F ZINC001250173420 805459746 /nfs/dbraw/zinc/45/97/46/805459746.db2.gz HXMCPAOENZEAKU-QMMMGPOBSA-N -1 1 296.244 3.192 20 0 CGADMM Cc1ccc2ncc([O-])c(C(=O)Nc3cccnc3F)c2c1 ZINC001154527681 805461667 /nfs/dbraw/zinc/46/16/67/805461667.db2.gz GEATUZQJIOUXMI-UHFFFAOYSA-N -1 1 297.289 3.035 20 0 CGADMM [O-]c1cc(F)c(Cc2cc(F)cc3c2OCOC3)cc1F ZINC001250206615 805490237 /nfs/dbraw/zinc/49/02/37/805490237.db2.gz YQFUIXKEAMDWQK-UHFFFAOYSA-N -1 1 296.244 3.267 20 0 CGADMM O=C(OCCc1c(F)cc([O-])cc1F)c1ccccc1 ZINC001250211382 805493617 /nfs/dbraw/zinc/49/36/17/805493617.db2.gz RFOQNPNXHRPJHK-UHFFFAOYSA-N -1 1 278.254 3.070 20 0 CGADMM O=C1NCc2cc(Nc3c(F)ccc([O-])c3Cl)ccc21 ZINC001250233867 805508377 /nfs/dbraw/zinc/50/83/77/805508377.db2.gz XTSHZEIZGJDHKN-UHFFFAOYSA-N -1 1 292.697 3.172 20 0 CGADMM CCC[C@H](C)CC[C@H](C)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001257472146 807173594 /nfs/dbraw/zinc/17/35/94/807173594.db2.gz QZKRQUFFUCKQRO-UWVGGRQHSA-N -1 1 277.372 3.075 20 0 CGADMM CCC[C@H](C)CC[C@@H](C)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001257472147 807173640 /nfs/dbraw/zinc/17/36/40/807173640.db2.gz QZKRQUFFUCKQRO-VHSXEESVSA-N -1 1 277.372 3.075 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2cccc3c2CCCC3)no1 ZINC001212722684 815114781 /nfs/dbraw/zinc/11/47/81/815114781.db2.gz UZHIMIUXLXBKIB-UHFFFAOYSA-N -1 1 293.326 3.383 20 0 CGADMM COc1ccc(-c2nnc(CC3CCCC3)o2)c([O-])c1 ZINC001258601601 807499689 /nfs/dbraw/zinc/49/96/89/807499689.db2.gz DDKQSAHWMUITDQ-UHFFFAOYSA-N -1 1 274.320 3.184 20 0 CGADMM Cc1ccc(-c2nnc(-c3ccc(O)cc3[O-])o2)cc1F ZINC001258719545 807568524 /nfs/dbraw/zinc/56/85/24/807568524.db2.gz ZJYWQWGEWZFKHS-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM O=c1cc(CNc2ccc3c(c2)nc2cc[nH]cc3-2)o[n-]1 ZINC001169491976 807651839 /nfs/dbraw/zinc/65/18/39/807651839.db2.gz GCILBBPQUUNTHQ-UHFFFAOYSA-N -1 1 280.287 3.022 20 0 CGADMM O=S(=O)(CC1CCCCC1)[N-][C@@H]1CCCCC1(F)F ZINC001259621562 807683728 /nfs/dbraw/zinc/68/37/28/807683728.db2.gz KQJRFDKNMGOSFT-GFCCVEGCSA-N -1 1 295.395 3.064 20 0 CGADMM CCCCC[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260277609 807696124 /nfs/dbraw/zinc/69/61/24/807696124.db2.gz QTPXXRDMOUUMLL-UHFFFAOYSA-N -1 1 297.754 3.087 20 0 CGADMM Cc1csc([N-]S(=O)(=O)Cc2ccccc2F)c1 ZINC001260621928 807697616 /nfs/dbraw/zinc/69/76/16/807697616.db2.gz VBIOMHNWWQFEKT-UHFFFAOYSA-N -1 1 285.365 3.138 20 0 CGADMM Cc1ccc(S(=O)(=O)Nc2ccc([S-])cc2)s1 ZINC001260684185 807698955 /nfs/dbraw/zinc/69/89/55/807698955.db2.gz FMLATIVDJIIDJE-UHFFFAOYSA-N -1 1 285.415 3.146 20 0 CGADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@@H]1CC[C@@H](C)C1 ZINC001170124760 807768572 /nfs/dbraw/zinc/76/85/72/807768572.db2.gz HQTHJSCLTHHCLI-DGCLKSJQSA-N -1 1 271.364 3.487 20 0 CGADMM Cc1nc2cc(Nc3ccc(C(=O)[O-])cc3)ccc2[nH]1 ZINC001213075306 815223027 /nfs/dbraw/zinc/22/30/27/815223027.db2.gz NSFXUTPCFNCLRS-UHFFFAOYSA-N -1 1 267.288 3.313 20 0 CGADMM Fc1ccc([N-]c2nnc(-c3ccco3)o2)cc1F ZINC001173865181 808723409 /nfs/dbraw/zinc/72/34/09/808723409.db2.gz KFDLGZOBYLFCQR-UHFFFAOYSA-N -1 1 263.203 3.351 20 0 CGADMM COc1cc(O)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001213099364 815234208 /nfs/dbraw/zinc/23/42/08/815234208.db2.gz QYOFBVFCKPBNQG-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM CC(=O)NCc1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174368688 808980007 /nfs/dbraw/zinc/98/00/07/808980007.db2.gz CZDZTXKGBIGQDX-UHFFFAOYSA-N -1 1 292.285 3.050 20 0 CGADMM CC(C)(C)c1nsc([N-]c2cnc(C3CC3)nc2)n1 ZINC001174611174 809102538 /nfs/dbraw/zinc/10/25/38/809102538.db2.gz NEJKJGSRZNCUQB-UHFFFAOYSA-N -1 1 275.381 3.247 20 0 CGADMM COC(=O)c1cc(Cl)cc([N-]c2nnc(C(C)C)o2)c1 ZINC001213329717 815265209 /nfs/dbraw/zinc/26/52/09/815265209.db2.gz ZSJRZUXYCNGERX-UHFFFAOYSA-N -1 1 295.726 3.377 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1ccc(F)c(F)c1F ZINC001174970164 809222830 /nfs/dbraw/zinc/22/28/30/809222830.db2.gz XFUQDGMGXCKRNF-UHFFFAOYSA-N -1 1 286.209 3.012 20 0 CGADMM CC(=O)c1cccc(O)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213386751 815275640 /nfs/dbraw/zinc/27/56/40/815275640.db2.gz SWBOBLWWHMJSDW-UHFFFAOYSA-N -1 1 279.242 3.322 20 0 CGADMM COc1ccc(F)c([N-]c2noc3cccnc23)c1F ZINC001175116343 809278706 /nfs/dbraw/zinc/27/87/06/809278706.db2.gz PCOGWEOVRWLJMM-UHFFFAOYSA-N -1 1 277.230 3.253 20 0 CGADMM COc1ccc(F)c(Nc2ccnc(Cl)c2[O-])c1F ZINC001175121106 809279281 /nfs/dbraw/zinc/27/92/81/809279281.db2.gz ORWHRUFQDLFOSZ-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM Cn1ncc2c1cccc2Nc1ccc(F)c(F)c1[O-] ZINC001175438509 809404995 /nfs/dbraw/zinc/40/49/95/809404995.db2.gz IEPTZQJNYSDDQD-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM Cn1ncc2cccc(Nc3cc(F)c([O-])cc3F)c21 ZINC001175446931 809409829 /nfs/dbraw/zinc/40/98/29/809409829.db2.gz QLXMIUMFKDFYSY-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM O=C(NCC1CCCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001290833159 809417037 /nfs/dbraw/zinc/41/70/37/809417037.db2.gz YKBULSCSFSWYEC-UHFFFAOYSA-N -1 1 285.343 3.171 20 0 CGADMM Cc1cc(Nc2ccnc(Cl)c2[O-])cc2c[nH]nc21 ZINC001175517836 809438365 /nfs/dbraw/zinc/43/83/65/809438365.db2.gz DFWABFQCVXLULL-UHFFFAOYSA-N -1 1 274.711 3.369 20 0 CGADMM CCCCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H](C)CC ZINC001292906051 809440506 /nfs/dbraw/zinc/44/05/06/809440506.db2.gz XHEQKRKVKYHKQR-LBPRGKRZSA-N -1 1 277.364 3.002 20 0 CGADMM O=C([N-]c1nc2ccsc2s1)c1cc(Cl)no1 ZINC001293761750 809454525 /nfs/dbraw/zinc/45/45/25/809454525.db2.gz ZTUWVOXSQGGAJB-UHFFFAOYSA-N -1 1 285.737 3.252 20 0 CGADMM Cn1cc2ccc(Nc3ccc(F)c(F)c3[O-])cc2n1 ZINC001175617302 809475526 /nfs/dbraw/zinc/47/55/26/809475526.db2.gz FATSJHLKQFTYJG-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc2c[nH]nc21 ZINC001175635653 809482718 /nfs/dbraw/zinc/48/27/18/809482718.db2.gz MNNMPZSDLNTAML-UHFFFAOYSA-N -1 1 293.282 3.119 20 0 CGADMM CN(Cc1cc(F)cc(F)c1)C(=O)c1ccc(F)c([O-])c1 ZINC001297484054 809518349 /nfs/dbraw/zinc/51/83/49/809518349.db2.gz YLCZTHRYFDMXJS-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H]1c1ccc(F)cc1 ZINC001300509361 809569026 /nfs/dbraw/zinc/56/90/26/809569026.db2.gz ZLAMQZSJMGSBGD-AWEZNQCLSA-N -1 1 289.281 3.258 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H](F)c1ccccc1 ZINC001302484389 809595856 /nfs/dbraw/zinc/59/58/56/809595856.db2.gz BXNIOALSHFILFO-LBPRGKRZSA-N -1 1 263.243 3.181 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cc(F)ncc2F)c1F ZINC001176669955 809740163 /nfs/dbraw/zinc/74/01/63/809740163.db2.gz PIYIIFBISHGCIV-UHFFFAOYSA-N -1 1 276.164 3.226 20 0 CGADMM Nc1cccc2c1CCN2c1c(F)cc(F)c([O-])c1F ZINC001176673549 809741106 /nfs/dbraw/zinc/74/11/06/809741106.db2.gz KBGPMJMEJOCIEA-UHFFFAOYSA-N -1 1 280.249 3.086 20 0 CGADMM Cc1cnc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc1C ZINC001179660167 809935658 /nfs/dbraw/zinc/93/56/58/809935658.db2.gz NLAZHBLVBIOYMW-UHFFFAOYSA-N -1 1 294.713 3.449 20 0 CGADMM CC[C@H](CC(C)C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183218461 810140827 /nfs/dbraw/zinc/14/08/27/810140827.db2.gz KVFXRRUIFARXEV-SECBINFHSA-N -1 1 270.760 3.451 20 0 CGADMM O=c1[nH]ccc2ccc([N-]c3nnc(-c4ccco4)o3)cc21 ZINC001213952429 815350522 /nfs/dbraw/zinc/35/05/22/815350522.db2.gz RZUWZXFJEUIKHX-UHFFFAOYSA-N -1 1 294.270 3.327 20 0 CGADMM O=C(Nc1cccc2c(=O)[nH]ccc12)c1ccc([O-])c(F)c1 ZINC001186225362 810321891 /nfs/dbraw/zinc/32/18/91/810321891.db2.gz BAJDQHSAWNRJLA-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM O=C(NCCc1ccc(F)cc1)Nc1c([O-])cccc1F ZINC001186273920 810325004 /nfs/dbraw/zinc/32/50/04/810325004.db2.gz RCWXYFUNZMUPOX-UHFFFAOYSA-N -1 1 292.285 3.035 20 0 CGADMM Cc1c(C)c(NC(=O)c2ccc([O-])cc2F)ccc1O ZINC001186329709 810328611 /nfs/dbraw/zinc/32/86/11/810328611.db2.gz UVGFUHKFWQBSFU-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1ccc([O-])cc1F)C2(C)C ZINC001186348970 810331184 /nfs/dbraw/zinc/33/11/84/810331184.db2.gz VYRBKRNAZCQAKH-UOJCWERNSA-N -1 1 291.366 3.332 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H]2CC(C)(C)CO2)n1 ZINC001188161389 810460411 /nfs/dbraw/zinc/46/04/11/810460411.db2.gz ACAAJFBLYSHIOM-NSHDSACASA-N -1 1 282.409 3.042 20 0 CGADMM Cc1[nH]ccc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001188159115 810460584 /nfs/dbraw/zinc/46/05/84/810460584.db2.gz FQCNLXCJZFNYHA-UHFFFAOYSA-N -1 1 284.237 3.300 20 0 CGADMM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)CC2CC2)c1 ZINC001188968524 810528304 /nfs/dbraw/zinc/52/83/04/810528304.db2.gz AUGUJOUQMKWFFV-UHFFFAOYSA-N -1 1 293.310 3.166 20 0 CGADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC001194603371 811093160 /nfs/dbraw/zinc/09/31/60/811093160.db2.gz VJCNFYCBXYJMIA-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM Cc1c(C)c(NC(=O)c2cc([O-])cnc2Cl)ccc1O ZINC001195309262 811241107 /nfs/dbraw/zinc/24/11/07/811241107.db2.gz PQABDEFTYXNRKS-UHFFFAOYSA-N -1 1 292.722 3.015 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2ccccc2C(F)F)n1 ZINC001195325392 811243029 /nfs/dbraw/zinc/24/30/29/811243029.db2.gz CCQKDJYOMUBMGG-UHFFFAOYSA-N -1 1 278.258 3.286 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(C(F)(F)F)cc1 ZINC001195449396 811256955 /nfs/dbraw/zinc/25/69/55/811256955.db2.gz VGBUFLBRXHRQNV-UHFFFAOYSA-N -1 1 292.282 3.148 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cccc(OC(C)(C)C)c1 ZINC001195494641 811262389 /nfs/dbraw/zinc/26/23/89/811262389.db2.gz NZISRGMWJACLDK-UHFFFAOYSA-N -1 1 296.392 3.307 20 0 CGADMM [O-]c1c(F)cccc1NC(=S)NCc1ccc(F)cc1 ZINC001196490329 811350153 /nfs/dbraw/zinc/35/01/53/811350153.db2.gz YHXPECMMIGBYAM-UHFFFAOYSA-N -1 1 294.326 3.157 20 0 CGADMM CCCCCCNC(=S)Nc1ncc(Cl)cc1[O-] ZINC001200945151 811771418 /nfs/dbraw/zinc/77/14/18/811771418.db2.gz MATYBUNGPKDTFH-UHFFFAOYSA-N -1 1 287.816 3.307 20 0 CGADMM COc1cccc(NC(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001202277652 812055668 /nfs/dbraw/zinc/05/56/68/812055668.db2.gz DGMPUCNQBPMHGS-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM CC(C)(C)NC(=O)Nc1cccc([O-])c1Br ZINC001202485340 812106572 /nfs/dbraw/zinc/10/65/72/812106572.db2.gz ZAKBHKIEEPEVRO-UHFFFAOYSA-N -1 1 287.157 3.075 20 0 CGADMM C[C@H](NC(=O)Nc1ccc(F)cc1[O-])c1ccccc1 ZINC001202505953 812110188 /nfs/dbraw/zinc/11/01/88/812110188.db2.gz CNFKFDZSCAATEZ-JTQLQIEISA-N -1 1 274.295 3.414 20 0 CGADMM Cc1c(Cl)ccc(-c2ccc(-c3nnn[n-]3)nc2)c1F ZINC001206284123 813271264 /nfs/dbraw/zinc/27/12/64/813271264.db2.gz PCUJCXPBSJDLGV-UHFFFAOYSA-N -1 1 289.701 3.030 20 0 CGADMM Cc1c(Cl)ccc(-c2ccc(-c3nn[n-]n3)nc2)c1F ZINC001206284123 813271271 /nfs/dbraw/zinc/27/12/71/813271271.db2.gz PCUJCXPBSJDLGV-UHFFFAOYSA-N -1 1 289.701 3.030 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc4ocnc4c3)ccc2[n-]1 ZINC001242596488 823053433 /nfs/dbraw/zinc/05/34/33/823053433.db2.gz NTEJBCQYKKQSKZ-UHFFFAOYSA-N -1 1 293.282 3.158 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc4ocnc4c3)cc2[n-]1 ZINC001242596488 823053437 /nfs/dbraw/zinc/05/34/37/823053437.db2.gz NTEJBCQYKKQSKZ-UHFFFAOYSA-N -1 1 293.282 3.158 20 0 CGADMM Cc1cc(Nc2cc(F)c([O-])cc2F)ccc1O ZINC001209980173 814228803 /nfs/dbraw/zinc/22/88/03/814228803.db2.gz ULDJXWVTSLQCQQ-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM CSc1nc(Nc2ccccc2OC(C)C)cc(=O)[n-]1 ZINC001210021825 814249386 /nfs/dbraw/zinc/24/93/86/814249386.db2.gz BGXQSYJTWCOLSE-UHFFFAOYSA-N -1 1 291.376 3.435 20 0 CGADMM CCC/C=C/N(C(=S)[N-]C(=O)OC)c1ccccc1N ZINC001210062996 814271530 /nfs/dbraw/zinc/27/15/30/814271530.db2.gz PCFRVYSQINXMLG-JXMROGBWSA-N -1 1 293.392 3.030 20 0 CGADMM Cc1cccc(Nc2cc(F)c([O-])cc2F)c1O ZINC001210195059 814331581 /nfs/dbraw/zinc/33/15/81/814331581.db2.gz ZIJXSEODENTKMV-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM CC(C)n1cc(Nc2cc3ccc([O-])cc3oc2=O)cn1 ZINC001210320799 814404337 /nfs/dbraw/zinc/40/43/37/814404337.db2.gz UWRRSLZCSSWKHF-UHFFFAOYSA-N -1 1 285.303 3.020 20 0 CGADMM CC(C)n1ccc(Nc2cc3ccc([O-])cc3oc2=O)n1 ZINC001210341596 814411479 /nfs/dbraw/zinc/41/14/79/814411479.db2.gz IVGBFGCQZGGAKA-UHFFFAOYSA-N -1 1 285.303 3.020 20 0 CGADMM Nc1c(F)cc(Nc2cc([O-])c(F)c(F)c2)cc1F ZINC001210911564 814670148 /nfs/dbraw/zinc/67/01/48/814670148.db2.gz YZIQQKDKRKVDMC-UHFFFAOYSA-N -1 1 272.201 3.274 20 0 CGADMM COCn1cc(Nc2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001210927272 814677457 /nfs/dbraw/zinc/67/74/57/814677457.db2.gz SROZQNPDAQHGBX-UHFFFAOYSA-N -1 1 288.134 3.243 20 0 CGADMM CC(=O)c1ccccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC001215769751 815584100 /nfs/dbraw/zinc/58/41/00/815584100.db2.gz PZKHZTBALOYGJA-UHFFFAOYSA-N -1 1 298.273 3.451 20 0 CGADMM Fc1ccc2nc([N-]c3cnn4ccccc34)oc2c1 ZINC001211093051 814741893 /nfs/dbraw/zinc/74/18/93/814741893.db2.gz XORLXVBJSQHHFM-UHFFFAOYSA-N -1 1 268.251 3.358 20 0 CGADMM COC(=O)c1cc(-c2cccc([O-])c2Cl)cnc1C ZINC001242800139 823136521 /nfs/dbraw/zinc/13/65/21/823136521.db2.gz CGKZSBIKGNWUPI-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Cn1c(=O)oc2cc(-c3cccc([O-])c3Cl)ccc21 ZINC001242801105 823136935 /nfs/dbraw/zinc/13/69/35/823136935.db2.gz XQYFGUWDFSLMSG-UHFFFAOYSA-N -1 1 275.691 3.158 20 0 CGADMM Cc1cnc2c(ccnc2-c2cccc([O-])c2Cl)n1 ZINC001242801541 823136981 /nfs/dbraw/zinc/13/69/81/823136981.db2.gz SPNVHLIZAIPBBN-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM COCOc1cncc(-c2cccc([O-])c2Cl)c1 ZINC001242803440 823138483 /nfs/dbraw/zinc/13/84/83/823138483.db2.gz QCRRGKPZLNTTIC-UHFFFAOYSA-N -1 1 265.696 3.090 20 0 CGADMM O=C1Nc2ncc(-c3cccc([O-])c3Cl)cc2C12CC2 ZINC001242803415 823138497 /nfs/dbraw/zinc/13/84/97/823138497.db2.gz PGDVRQIQXISKEL-UHFFFAOYSA-N -1 1 286.718 3.091 20 0 CGADMM COc1nc(OC)c(-c2cccc([O-])c2Cl)cc1C ZINC001242803619 823138536 /nfs/dbraw/zinc/13/85/36/823138536.db2.gz UXPBNYMUDZXILN-UHFFFAOYSA-N -1 1 279.723 3.433 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3nsnc3c2)cc1F ZINC001211338694 814882028 /nfs/dbraw/zinc/88/20/28/814882028.db2.gz HLYXTLOWKOXFLA-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM CCOc1ncc(-c2cc(F)c([O-])cc2F)cc1C ZINC001211351685 814884736 /nfs/dbraw/zinc/88/47/36/814884736.db2.gz AVVVLEBOTDXDJU-UHFFFAOYSA-N -1 1 265.259 3.440 20 0 CGADMM COC(=O)c1cc(-c2cc(F)c([O-])cc2F)ccc1OC ZINC001211353724 814885648 /nfs/dbraw/zinc/88/56/48/814885648.db2.gz ZBFHRGIPHRRZEU-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM Cc1cc(N)c(F)cc1-c1cc(F)c([O-])cc1F ZINC001211359611 814886234 /nfs/dbraw/zinc/88/62/34/814886234.db2.gz JOSNQAKJSRUOLA-UHFFFAOYSA-N -1 1 253.223 3.367 20 0 CGADMM Nc1ccc2cc(-c3cc(F)c([O-])cc3F)ccc2n1 ZINC001211359602 814886287 /nfs/dbraw/zinc/88/62/87/814886287.db2.gz JIQZDUQRJNJGLY-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM CCc1cccnc1-c1noc(-c2ccc(F)c([O-])c2)n1 ZINC001215842501 815611927 /nfs/dbraw/zinc/61/19/27/815611927.db2.gz LEOLOPMIHPYPOD-UHFFFAOYSA-N -1 1 285.278 3.206 20 0 CGADMM CCOc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)c(C)c1C ZINC001215991268 815654398 /nfs/dbraw/zinc/65/43/98/815654398.db2.gz XNZDCLPOFWZJKB-UHFFFAOYSA-N -1 1 297.358 3.329 20 0 CGADMM COc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1C(C)C ZINC001216003052 815657273 /nfs/dbraw/zinc/65/72/73/815657273.db2.gz HWSAOQVAJLYPLS-UHFFFAOYSA-N -1 1 297.358 3.445 20 0 CGADMM CC(C)c1nnc([N-]c2cccc(CN(C)C)c2F)o1 ZINC001216227131 815746040 /nfs/dbraw/zinc/74/60/40/815746040.db2.gz RNMVXPOIEJUQCQ-UHFFFAOYSA-N -1 1 278.331 3.137 20 0 CGADMM Nc1cccc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001218828496 816254064 /nfs/dbraw/zinc/25/40/64/816254064.db2.gz OHJTWZAMHLIHGP-UHFFFAOYSA-N -1 1 296.248 3.246 20 0 CGADMM [O-]c1cc(-c2ncc3cc(F)ccc3n2)ccc1F ZINC001243046179 823224237 /nfs/dbraw/zinc/22/42/37/823224237.db2.gz BZHLVVAJMQSDMW-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCCCC[P@](=O)([O-])O)C2 ZINC001225021816 816934818 /nfs/dbraw/zinc/93/48/18/816934818.db2.gz IYEJNHRBFOGAKX-BZPMIXESSA-N -1 1 290.340 3.176 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C)CC(C)C ZINC001225674499 817137045 /nfs/dbraw/zinc/13/70/45/817137045.db2.gz IRURUFROYIOIEJ-SECBINFHSA-N -1 1 252.310 3.114 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C(C)C)C(F)(F)F ZINC001225679581 817139634 /nfs/dbraw/zinc/13/96/34/817139634.db2.gz QMQUBOASBZOSTL-GFCCVEGCSA-N -1 1 292.253 3.266 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H]1CCc2cccc(C)c21 ZINC001226242824 817308408 /nfs/dbraw/zinc/30/84/08/817308408.db2.gz UTCHHCJPBYGJDD-LLVKDONJSA-N -1 1 288.372 3.149 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3C[C@@H]4CC[C@H]3C4)c12 ZINC001226487627 817372869 /nfs/dbraw/zinc/37/28/69/817372869.db2.gz ZTNFHAZRGHBWTD-NTZNESFSSA-N -1 1 286.327 3.374 20 0 CGADMM CCC[C@@H](Oc1cnc[n-]c1=O)c1ccc(OC)cc1 ZINC001227051199 817545012 /nfs/dbraw/zinc/54/50/12/817545012.db2.gz IQCRZYVJSLRZCF-CYBMUJFWSA-N -1 1 274.320 3.111 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CCC[C@H](C)C1 ZINC001227168762 817578306 /nfs/dbraw/zinc/57/83/06/817578306.db2.gz NFFOETNOHXWGAI-WCQYABFASA-N -1 1 278.348 3.179 20 0 CGADMM CCCC[C@@H](C)Oc1cc([O-])ccc1C(=O)COC ZINC001227168143 817578673 /nfs/dbraw/zinc/57/86/73/817578673.db2.gz FQJJFZFWPNBTSO-LLVKDONJSA-N -1 1 266.337 3.179 20 0 CGADMM CC(C)=CCC[C@H](C)Oc1[n-]c(=S)ncc1F ZINC001227384436 817636579 /nfs/dbraw/zinc/63/65/79/817636579.db2.gz ZLCDCZQTQDLKRQ-VIFPVBQESA-N -1 1 256.346 3.418 20 0 CGADMM CCOC(=O)[C@@H](CC)Oc1cc(Cl)c([O-])cc1Cl ZINC001227646161 817687857 /nfs/dbraw/zinc/68/78/57/817687857.db2.gz PDVFXVCSVWYDLU-SNVBAGLBSA-N -1 1 293.146 3.420 20 0 CGADMM Cc1ccc2c(c1)CC[C@H]2Oc1[n-]c(=O)nc2c1CO[C@@H]2C ZINC001227710572 817701166 /nfs/dbraw/zinc/70/11/66/817701166.db2.gz MKTALKIKNZNZLZ-QMTHXVAHSA-N -1 1 298.342 3.148 20 0 CGADMM S=c1nc2ccccc2c(OC2CCSCC2)[n-]1 ZINC001228764965 818002347 /nfs/dbraw/zinc/00/23/47/818002347.db2.gz JZZRJEINKMXRQQ-UHFFFAOYSA-N -1 1 278.402 3.193 20 0 CGADMM C[C@@H]1CC[C@@H](Oc2cccnc2-c2ncccc2[O-])C1 ZINC001231200246 818056578 /nfs/dbraw/zinc/05/65/78/818056578.db2.gz KPPROBCPAXZCIZ-VXGBXAGGSA-N -1 1 270.332 3.417 20 0 CGADMM O=C([O-])c1ccc(F)c(CN2CCCCC23CC3)c1 ZINC001231461671 818101813 /nfs/dbraw/zinc/10/18/13/818101813.db2.gz ZQJPXFRAVXXTQW-UHFFFAOYSA-N -1 1 263.312 3.042 20 0 CGADMM COc1ccc(CN2CC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001231753873 818165946 /nfs/dbraw/zinc/16/59/46/818165946.db2.gz MPQRKZKQWSUPOF-INIZCTEOSA-N -1 1 297.354 3.340 20 0 CGADMM C[N@H+](Cc1ccc(F)c([O-])c1F)C[C@@H]1CC1(C)C ZINC001232936809 818477297 /nfs/dbraw/zinc/47/72/97/818477297.db2.gz GUHARKSFMOWPDK-JTQLQIEISA-N -1 1 255.308 3.148 20 0 CGADMM [O-]c1cc(CN2CCC[C@H]2C(F)(F)F)cc(F)c1F ZINC001232968538 818485279 /nfs/dbraw/zinc/48/52/79/818485279.db2.gz DJVPQSFGOXHSRD-JTQLQIEISA-N -1 1 281.224 3.197 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001233031860 818505401 /nfs/dbraw/zinc/50/54/01/818505401.db2.gz ALLYYQLZDDIFTJ-JTQLQIEISA-N -1 1 294.704 3.010 20 0 CGADMM Cc1ccc(N2CCN(Cc3ccc([S-])cc3)CC2)nc1 ZINC001233261184 818557878 /nfs/dbraw/zinc/55/78/78/818557878.db2.gz GEXPWBWNPYWPFL-UHFFFAOYSA-N -1 1 299.443 3.001 20 0 CGADMM [O-]c1ccc(-c2nc(C3CC3)nc3c2CCC3)c(F)c1F ZINC001243338221 823352106 /nfs/dbraw/zinc/35/21/06/823352106.db2.gz CJHULYDMQDYBAH-UHFFFAOYSA-N -1 1 288.297 3.494 20 0 CGADMM COC(=O)[C@H](C)c1ccc(-c2ccc([O-])c(F)c2F)nc1 ZINC001243339971 823353886 /nfs/dbraw/zinc/35/38/86/823353886.db2.gz UYAMZVCYXQNEFB-MRVPVSSYSA-N -1 1 293.269 3.009 20 0 CGADMM CSc1ccnc(-c2ccc([O-])c(F)c2F)c1 ZINC001243341031 823354085 /nfs/dbraw/zinc/35/40/85/823354085.db2.gz XNELLGYBUCUIKI-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OC[C@H]1CCC=CO1 ZINC001233649852 818670102 /nfs/dbraw/zinc/67/01/02/818670102.db2.gz DKCZOZWTQQQABU-CYBMUJFWSA-N -1 1 276.332 3.447 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1CCO[C@H](C)C1 ZINC001233650965 818670109 /nfs/dbraw/zinc/67/01/09/818670109.db2.gz UXICNWFJRAZWEB-YPMHNXCESA-N -1 1 278.348 3.321 20 0 CGADMM Cc1cn2c(n1)[C@@H](Oc1nc3sccc3[n-]1)CCC2 ZINC001234846970 818932320 /nfs/dbraw/zinc/93/23/20/818932320.db2.gz FVCJYNTXVZQPCV-JTQLQIEISA-N -1 1 274.349 3.043 20 0 CGADMM Cc1c(Cl)c(-c2ccc3[nH]nnc3c2)ccc1C(=O)[O-] ZINC001236119203 819328279 /nfs/dbraw/zinc/32/82/79/819328279.db2.gz CJUJANJLPQDLJD-UHFFFAOYSA-N -1 1 287.706 3.285 20 0 CGADMM Cc1c(Cl)c(-c2ccc3nn[nH]c3c2)ccc1C(=O)[O-] ZINC001236119203 819328283 /nfs/dbraw/zinc/32/82/83/819328283.db2.gz CJUJANJLPQDLJD-UHFFFAOYSA-N -1 1 287.706 3.285 20 0 CGADMM COc1cncc(-c2cc(F)cc(F)c2[O-])c1C ZINC001243503134 823421586 /nfs/dbraw/zinc/42/15/86/823421586.db2.gz ATWSRQAUKCDLRY-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc2nnc(C3CC3)n2c1 ZINC001243503898 823422321 /nfs/dbraw/zinc/42/23/21/823422321.db2.gz HKLYXASJGWPCIJ-UHFFFAOYSA-N -1 1 287.269 3.258 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cncnc1C(F)(F)F ZINC001243503231 823422336 /nfs/dbraw/zinc/42/23/36/823422336.db2.gz SHXDURNEFZKWCL-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM C[S@@](=N)(=O)c1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243506204 823423869 /nfs/dbraw/zinc/42/38/69/823423869.db2.gz QLGHFRDEOVILKX-LJQANCHMSA-N -1 1 283.299 3.373 20 0 CGADMM COc1nc(-c2cccc([O-])c2F)nc2ccccc21 ZINC001243541754 823435877 /nfs/dbraw/zinc/43/58/77/823435877.db2.gz HVSWNURPZTZDHV-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM COc1ccc2nc(-c3cccc([O-])c3F)nc(C)c2c1 ZINC001243541499 823436098 /nfs/dbraw/zinc/43/60/98/823436098.db2.gz FXPPHLPEBFPTDC-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM COc1ccc2nc(-c3cccc([O-])c3F)ncc2c1 ZINC001243542177 823436566 /nfs/dbraw/zinc/43/65/66/823436566.db2.gz MGKWGYRVHPGXBQ-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM CC(C)Oc1ccc(-c2ccc(Cl)c([O-])c2)nn1 ZINC001243576877 823451078 /nfs/dbraw/zinc/45/10/78/823451078.db2.gz WLSYWNIYKZNFBX-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM COc1cnc2c(c1)ncnc2-c1ccc(Cl)c([O-])c1 ZINC001243579715 823453000 /nfs/dbraw/zinc/45/30/00/823453000.db2.gz YCJZJRHWXVWKRR-UHFFFAOYSA-N -1 1 287.706 3.059 20 0 CGADMM NC(=O)CCc1cccc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243581465 823454164 /nfs/dbraw/zinc/45/41/64/823454164.db2.gz FMOVGULMHPUWCV-UHFFFAOYSA-N -1 1 275.735 3.131 20 0 CGADMM CN1C(=O)Cc2ccc(-c3ccc(Cl)c([O-])c3)cc21 ZINC001243583121 823454819 /nfs/dbraw/zinc/45/48/19/823454819.db2.gz IQZHYQOTSIIIAO-UHFFFAOYSA-N -1 1 273.719 3.232 20 0 CGADMM O=c1ccc(-c2ccc(Cl)c([O-])c2)nn1-c1ccccc1 ZINC001243582628 823455057 /nfs/dbraw/zinc/45/50/57/823455057.db2.gz BCRSKQYWUMVYMJ-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(C4CC4)nc3)ccc2[n-]1 ZINC001238853461 820135670 /nfs/dbraw/zinc/13/56/70/820135670.db2.gz MQPTTZRFTXGDIA-UHFFFAOYSA-N -1 1 293.326 3.289 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(C4CC4)nc3)cc2[n-]1 ZINC001238853461 820135675 /nfs/dbraw/zinc/13/56/75/820135675.db2.gz MQPTTZRFTXGDIA-UHFFFAOYSA-N -1 1 293.326 3.289 20 0 CGADMM CC(C)n1ccc(-c2ccc(Cl)c([O-])c2)cc1=O ZINC001243584894 823456035 /nfs/dbraw/zinc/45/60/35/823456035.db2.gz ZQXWTGKDWGOHQA-UHFFFAOYSA-N -1 1 263.724 3.455 20 0 CGADMM Cc1ncc(-c2ccc(C(F)(F)F)cc2[O-])nc1C ZINC001243608324 823465645 /nfs/dbraw/zinc/46/56/45/823465645.db2.gz HELRTPGZSZJNEF-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM Cc1cnc(-c2ccc(C(F)(F)F)cc2[O-])cn1 ZINC001243605150 823464404 /nfs/dbraw/zinc/46/44/04/823464404.db2.gz ULYOPIVKYDKFGI-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM CCOC(=O)c1nc2cc(C3=CCCC3)ccc2[n-]1 ZINC001239788799 820604855 /nfs/dbraw/zinc/60/48/55/820604855.db2.gz JNUZVXZZCXQFMW-UHFFFAOYSA-N -1 1 256.305 3.307 20 0 CGADMM CCOC(=O)c1nc2ccc(C3=CCCC3)cc2[n-]1 ZINC001239788799 820604858 /nfs/dbraw/zinc/60/48/58/820604858.db2.gz JNUZVXZZCXQFMW-UHFFFAOYSA-N -1 1 256.305 3.307 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccc(C)nc3)ccc2[n-]1 ZINC001240226253 820903038 /nfs/dbraw/zinc/90/30/38/820903038.db2.gz DVKKQBPPHRSWAP-UHFFFAOYSA-N -1 1 281.315 3.110 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccc(C)nc3)cc2[n-]1 ZINC001240226253 820903043 /nfs/dbraw/zinc/90/30/43/820903043.db2.gz DVKKQBPPHRSWAP-UHFFFAOYSA-N -1 1 281.315 3.110 20 0 CGADMM CC(C)(C)Oc1ccc(-c2cc(F)ccc2[O-])nn1 ZINC001240693623 821249053 /nfs/dbraw/zinc/24/90/53/821249053.db2.gz CFZBOYFNXSOUSO-UHFFFAOYSA-N -1 1 262.284 3.166 20 0 CGADMM CC(C)COc1nccnc1-c1cc(F)ccc1[O-] ZINC001240696162 821252295 /nfs/dbraw/zinc/25/22/95/821252295.db2.gz DPKGNVHVAKZFEB-UHFFFAOYSA-N -1 1 262.284 3.023 20 0 CGADMM Cc1cc(-c2cc(F)ccc2[O-])nc(-c2ccncc2)n1 ZINC001240696043 821252487 /nfs/dbraw/zinc/25/24/87/821252487.db2.gz XESGGVDZFDXRES-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM [O-]c1ccc(-c2cc(-c3ccco3)ncn2)cc1F ZINC001240783000 821322188 /nfs/dbraw/zinc/32/21/88/821322188.db2.gz MNEOQWGFPLHKER-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1-c1cc2[nH]ccc2cn1 ZINC001240999683 821477453 /nfs/dbraw/zinc/47/74/53/821477453.db2.gz RSXANRUZDFXOPI-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM Cc1ccc(-c2ncc(-c3cccnc3)cn2)c([O-])c1 ZINC001241036193 821511607 /nfs/dbraw/zinc/51/16/07/821511607.db2.gz QYZZXXRCPSKAAY-UHFFFAOYSA-N -1 1 263.300 3.220 20 0 CGADMM [O-]c1cc(F)c(-c2ncnc3ccccc32)c(F)c1 ZINC001241116662 821571501 /nfs/dbraw/zinc/57/15/01/821571501.db2.gz DZYCWJGFUOQGGU-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Cc1cc(-c2c(F)cc([O-])cc2F)nc(C(F)(F)F)n1 ZINC001241117225 821571764 /nfs/dbraw/zinc/57/17/64/821571764.db2.gz KUYJWLHWUDQSKF-UHFFFAOYSA-N -1 1 290.191 3.455 20 0 CGADMM CCOC(=O)c1cc(-c2c(F)cc([O-])cc2F)ncc1C ZINC001241118571 821574243 /nfs/dbraw/zinc/57/42/43/821574243.db2.gz QISOLDBSVJBFRT-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM Nc1cc(-c2c(F)cc([O-])cc2F)nc(C(F)(F)F)c1 ZINC001241118594 821574722 /nfs/dbraw/zinc/57/47/22/821574722.db2.gz RKYDAGRMFBKSDB-UHFFFAOYSA-N -1 1 290.191 3.333 20 0 CGADMM COC(=O)c1cc(C)cc(-c2c(F)cc([O-])cc2F)c1 ZINC001241120934 821576813 /nfs/dbraw/zinc/57/68/13/821576813.db2.gz TWKIKTPHDSJIQU-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM [O-]c1cc(F)c(-c2cncnc2C(F)(F)F)c(F)c1 ZINC001241120952 821577137 /nfs/dbraw/zinc/57/71/37/821577137.db2.gz UVOHSNJIGNMNTA-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM C[C@H]1C(=O)Nc2ccc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241122343 821578177 /nfs/dbraw/zinc/57/81/77/821578177.db2.gz MVAGWPNLOTYBDA-SSDOTTSWSA-N -1 1 275.254 3.393 20 0 CGADMM CCNC(=O)c1ccccc1-c1c(F)cc([O-])cc1F ZINC001241122478 821578228 /nfs/dbraw/zinc/57/82/28/821578228.db2.gz OXEKZPZAQVFZPZ-UHFFFAOYSA-N -1 1 277.270 3.087 20 0 CGADMM COCOc1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241123059 821580355 /nfs/dbraw/zinc/58/03/55/821580355.db2.gz SJASBPNIGPULAL-UHFFFAOYSA-N -1 1 266.243 3.320 20 0 CGADMM CC(C)Cn1cc(-c2c(F)cc([O-])cc2F)ccc1=O ZINC001241124731 821581653 /nfs/dbraw/zinc/58/16/53/821581653.db2.gz LIDPNQUZICQBIW-UHFFFAOYSA-N -1 1 279.286 3.155 20 0 CGADMM CN(C)Cc1cc(-c2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC001241186535 821624136 /nfs/dbraw/zinc/62/41/36/821624136.db2.gz CCKMWEPXXZLQAT-UHFFFAOYSA-N -1 1 291.297 3.392 20 0 CGADMM O=C([O-])c1cc(-c2nccc3[nH]ccc32)ccc1F ZINC001241241591 821662191 /nfs/dbraw/zinc/66/21/91/821662191.db2.gz NERCPMSUDVLZNI-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM Cc1nc2cccc(-c3ccc(F)c(C(=O)[O-])c3)c2[nH]1 ZINC001241246083 821667728 /nfs/dbraw/zinc/66/77/28/821667728.db2.gz PSVRDHFVUYULBQ-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM [O-]c1cc(F)cc(-c2nccc(-c3ccco3)n2)c1 ZINC001241255730 821675564 /nfs/dbraw/zinc/67/55/64/821675564.db2.gz BERXAZXEERHIDS-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM Cc1nc(C)c(-c2c(F)ccc([O-])c2F)nc1C ZINC001241290985 821708359 /nfs/dbraw/zinc/70/83/59/821708359.db2.gz GOEVUAAANDTYFS-UHFFFAOYSA-N -1 1 250.248 3.053 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(-c3ccccn3)nn2)c1F ZINC001241290853 821708491 /nfs/dbraw/zinc/70/84/91/821708491.db2.gz VUEQLEWMOZQQON-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM [O-]c1ccc(F)c(-c2nncc3cc(F)ccc32)c1F ZINC001241291715 821709661 /nfs/dbraw/zinc/70/96/61/821709661.db2.gz SPVWNFRNQGSPDL-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM CN(C)Cc1cc(-c2cccc(C(=O)[O-])c2)ccc1F ZINC001241361201 821762691 /nfs/dbraw/zinc/76/26/91/821762691.db2.gz VFWPUDYIIKZMBF-UHFFFAOYSA-N -1 1 273.307 3.253 20 0 CGADMM COc1ccc(-c2ccc3nc[nH]c3c2C)cc1C(=O)[O-] ZINC001241868621 822187335 /nfs/dbraw/zinc/18/73/35/822187335.db2.gz JFELTBUYQSYJEP-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM COc1ccc(-c2cc3nc[nH]c3cc2F)cc1C(=O)[O-] ZINC001241879684 822190859 /nfs/dbraw/zinc/19/08/59/822190859.db2.gz CLHORFOYMKFHIU-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM CCc1nccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242132113 822888898 /nfs/dbraw/zinc/88/88/98/822888898.db2.gz VUQITPPNMLGHEE-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM [O-]c1ccc(-c2nccc(NC3CC3)n2)cc1C(F)(F)F ZINC001242148279 822894517 /nfs/dbraw/zinc/89/45/17/822894517.db2.gz RKXZTUSGWIZUEG-UHFFFAOYSA-N -1 1 295.264 3.442 20 0 CGADMM CC(=O)Nc1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242151880 822895843 /nfs/dbraw/zinc/89/58/43/822895843.db2.gz XIWSZGFDSRBWPT-UHFFFAOYSA-N -1 1 296.248 3.431 20 0 CGADMM [O-]c1ccc(-c2nnc3ccccc3n2)cc1C(F)(F)F ZINC001242157527 822898858 /nfs/dbraw/zinc/89/88/58/822898858.db2.gz HNTLNGJYSASCNL-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM [O-]c1ccc(-c2cc3nccc-3[n-][nH+]2)cc1C(F)(F)F ZINC001242157206 822899134 /nfs/dbraw/zinc/89/91/34/822899134.db2.gz FCFYREYXVIUYTH-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM [O-]c1ccc(-c2cnc(F)nc2F)cc1C(F)(F)F ZINC001242162812 822900263 /nfs/dbraw/zinc/90/02/63/822900263.db2.gz TZSDWYMTISHMRS-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM CC(=O)Nc1cccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242162786 822900412 /nfs/dbraw/zinc/90/04/12/822900412.db2.gz SBLKPPWBTMMQHH-UHFFFAOYSA-N -1 1 296.248 3.431 20 0 CGADMM COc1cc(F)c(-c2ccc(F)cc2[O-])cc1F ZINC001242218174 822914847 /nfs/dbraw/zinc/91/48/47/822914847.db2.gz WLMBRSQXIWHXKV-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COC(=O)c1nc2c(cccc2-c2ccc(F)cc2[O-])o1 ZINC001242218893 822915743 /nfs/dbraw/zinc/91/57/43/822915743.db2.gz SFRKVXCGGHVWEB-UHFFFAOYSA-N -1 1 287.246 3.126 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc(C)c3O)cc2[n-]1 ZINC001242346084 822958459 /nfs/dbraw/zinc/95/84/59/822958459.db2.gz MXVZCFHGSLFJMG-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc(C)c3O)ccc2[n-]1 ZINC001242346084 822958461 /nfs/dbraw/zinc/95/84/61/822958461.db2.gz MXVZCFHGSLFJMG-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM [O-]c1c(Cl)cccc1-c1cccc2c1OCCO2 ZINC001242366316 822969025 /nfs/dbraw/zinc/96/90/25/822969025.db2.gz JVCCYSXDGHEPAU-UHFFFAOYSA-N -1 1 262.692 3.484 20 0 CGADMM CC(C)NC(=O)c1cncc(-c2cccc(Cl)c2[O-])c1 ZINC001242366337 822969076 /nfs/dbraw/zinc/96/90/76/822969076.db2.gz VPHLEXXBKHQZRW-UHFFFAOYSA-N -1 1 290.750 3.246 20 0 CGADMM CCN(CC(=O)[O-])[C@@H]1C[C@H](C)Sc2sccc21 ZINC001596222038 983613122 /nfs/dbraw/zinc/61/31/22/983613122.db2.gz AOXNZNFMYJDHDC-WCBMZHEXSA-N -1 1 271.407 3.080 20 0 CGADMM CC1(C)C2CCC1(C(=O)[N-]OC/C=C/Cl)CC2 ZINC001346998035 936866572 /nfs/dbraw/zinc/86/65/72/936866572.db2.gz TZYGJWGKCAGMDS-FPYGCLRLSA-N -1 1 257.761 3.003 20 0 CGADMM CSCCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC001307404937 926782589 /nfs/dbraw/zinc/78/25/89/926782589.db2.gz PMBCNINNKDESLV-UHFFFAOYSA-N -1 1 278.402 3.304 20 0 CGADMM CCc1ccc(Oc2cc(Cl)nc(=O)[n-]2)c(OC)c1 ZINC001363144659 937231004 /nfs/dbraw/zinc/23/10/04/937231004.db2.gz OMUHFUCEKLESBS-UHFFFAOYSA-N -1 1 280.711 3.199 20 0 CGADMM CCOc1cc(F)ccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001441624594 937339090 /nfs/dbraw/zinc/33/90/90/937339090.db2.gz NDDUIJIIMRFGLR-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM Cc1ccccc1C(F)(F)C(=O)[N-]N1[C@H](C)CCC[C@H]1C ZINC001449322555 937378574 /nfs/dbraw/zinc/37/85/74/937378574.db2.gz RCNZWZUJLXZGLZ-CHWSQXEVSA-N -1 1 296.361 3.381 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)CCc1cccc2ccccc21 ZINC001450490456 937386437 /nfs/dbraw/zinc/38/64/37/937386437.db2.gz RCDSJNNSSGKIRI-UHFFFAOYSA-N -1 1 295.342 3.148 20 0 CGADMM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001449477027 937380289 /nfs/dbraw/zinc/38/02/89/937380289.db2.gz BXIKBMQCZNMYOA-WDEREUQCSA-N -1 1 265.328 3.182 20 0 CGADMM C[C@@H](Cc1ccc(F)cc1)C(=O)[N-]Oc1ccc(F)cc1 ZINC001453036060 937400362 /nfs/dbraw/zinc/40/03/62/937400362.db2.gz RGXFDUIIHIEZJH-NSHDSACASA-N -1 1 291.297 3.254 20 0 CGADMM Cc1ccc(CCNC(=O)c2cc(F)ccc2[O-])cc1C ZINC001453043006 937400854 /nfs/dbraw/zinc/40/08/54/937400854.db2.gz IBGICMASVZLFNI-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM C[C@H](Oc1cccc(F)c1)C(=O)Nc1cccc(F)c1[O-] ZINC001454758145 937412252 /nfs/dbraw/zinc/41/22/52/937412252.db2.gz PVHJYDJHPJCGOL-VIFPVBQESA-N -1 1 293.269 3.076 20 0 CGADMM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(F)c1[O-] ZINC001454758854 937412268 /nfs/dbraw/zinc/41/22/68/937412268.db2.gz RWKIWJWTQQPILN-SNVBAGLBSA-N -1 1 291.297 3.488 20 0 CGADMM O=C(/C=C\C1CCCC1)NCCc1c(F)cc([O-])cc1F ZINC001456193203 937427417 /nfs/dbraw/zinc/42/74/17/937427417.db2.gz ILEBVBHXOZDGNV-WAYWQWQTSA-N -1 1 295.329 3.076 20 0 CGADMM CC(C)Cc1c[nH]c(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC001457762285 937445525 /nfs/dbraw/zinc/44/55/25/937445525.db2.gz LANGHRFGMBBSKZ-UHFFFAOYSA-N -1 1 293.754 3.220 20 0 CGADMM O=c1nc(Cl)cc(Oc2cnc3ccccc3c2)[n-]1 ZINC001458332589 937459091 /nfs/dbraw/zinc/45/90/91/937459091.db2.gz QAALMWIMWOHEAQ-UHFFFAOYSA-N -1 1 273.679 3.176 20 0 CGADMM Cc1cnc(SCCOc2ccc(Cl)cc2)[n-]c1=O ZINC001459096689 937479712 /nfs/dbraw/zinc/47/97/12/937479712.db2.gz UMIKYIRANLPSHZ-UHFFFAOYSA-N -1 1 296.779 3.315 20 0 CGADMM CC(C)N1CC(Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229411063 932142532 /nfs/dbraw/zinc/14/25/32/932142532.db2.gz OPGHGKDFXTZWLS-UHFFFAOYSA-N -1 1 276.163 3.170 20 0 CGADMM CC1=C[C@H](Oc2cc([O-])c(Cl)cc2Cl)CC(=O)O1 ZINC001229410273 932147767 /nfs/dbraw/zinc/14/77/67/932147767.db2.gz JRWDLIYHCCLSNV-ZETCQYMHSA-N -1 1 289.114 3.297 20 0 CGADMM COC[C@H](C)Oc1cc([O-])c(Cl)cc1Cl ZINC001229412187 932147906 /nfs/dbraw/zinc/14/79/06/932147906.db2.gz ZSDPNHJTDAGQHW-LURJTMIESA-N -1 1 251.109 3.113 20 0 CGADMM C/C=C/[C@@H](Oc1nc(C(=O)OC)c[n-]1)C1CCCCC1 ZINC001230282692 932551573 /nfs/dbraw/zinc/55/15/73/932551573.db2.gz YBENDIJZNZVJFG-LPZVBRGNSA-N -1 1 278.352 3.100 20 0 CGADMM Cc1ccc(-c2nnc(-c3cc([O-])cnc3Cl)o2)cc1 ZINC001252674216 932721990 /nfs/dbraw/zinc/72/19/90/932721990.db2.gz MOTUOSFDNCJBTH-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM O=C(N[C@H]1CCSC2(CCC2)C1)c1ccc(F)c([O-])c1 ZINC001304420878 932849952 /nfs/dbraw/zinc/84/99/52/932849952.db2.gz SSXUZSJUZGYJLD-NSHDSACASA-N -1 1 295.379 3.079 20 0 CGADMM C[C@H]1CN(Cc2ccc([O-])c(F)c2F)CC2(CCCC2)O1 ZINC001462406037 937638706 /nfs/dbraw/zinc/63/87/06/937638706.db2.gz QIWVIQZHXXJYPZ-NSHDSACASA-N -1 1 297.345 3.204 20 0 CGADMM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc([O-])cn1 ZINC001463833406 937681282 /nfs/dbraw/zinc/68/12/82/937681282.db2.gz FMEATSAASPEFPI-UHFFFAOYSA-N -1 1 295.298 3.058 20 0 CGADMM Cc1cc([C@H](C)NC(=O)c2cccc([O-])c2F)c(C)o1 ZINC001464572208 937692758 /nfs/dbraw/zinc/69/27/58/937692758.db2.gz FCRVNAQKXWFSNX-VIFPVBQESA-N -1 1 277.295 3.232 20 0 CGADMM O=C(NC1(c2ccccc2F)CC1)c1cccc([O-])c1F ZINC001465263252 937699728 /nfs/dbraw/zinc/69/97/28/937699728.db2.gz MCFLOIJYIFNPQK-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cccc([O-])c1F ZINC001465598136 937701886 /nfs/dbraw/zinc/70/18/86/937701886.db2.gz KASJXWVZVBVUNW-RYUDHWBXSA-N -1 1 287.334 3.453 20 0 CGADMM CC(C)Cc1ccc(NC(=O)c2ccc([O-])cn2)cc1 ZINC001465897924 937704610 /nfs/dbraw/zinc/70/46/10/937704610.db2.gz BWQPIZNFNDSKSR-UHFFFAOYSA-N -1 1 270.332 3.238 20 0 CGADMM O=C(NCC1(Cc2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC001466215192 937707210 /nfs/dbraw/zinc/70/72/10/937707210.db2.gz ZGOZDVLBYWBUNW-UHFFFAOYSA-N -1 1 299.345 3.284 20 0 CGADMM O=C(Nc1cncc2ccccc21)c1cccc([O-])c1F ZINC001466587756 937710711 /nfs/dbraw/zinc/71/07/11/937710711.db2.gz VDBMUYNNQNAFDQ-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM COc1cc(C)c(NC(=O)c2cccc([O-])c2F)cc1F ZINC001466979557 937713919 /nfs/dbraw/zinc/71/39/19/937713919.db2.gz YAPRVJKUTDNZFL-UHFFFAOYSA-N -1 1 293.269 3.240 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@H]2CCCC2(C)C)c1 ZINC001468347975 937727262 /nfs/dbraw/zinc/72/72/62/937727262.db2.gz OLTDRWBAZHPJQX-CYBMUJFWSA-N -1 1 289.375 3.069 20 0 CGADMM COc1ccccc1[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC001471295224 937763979 /nfs/dbraw/zinc/76/39/79/937763979.db2.gz GCPPBQCZPAJDKZ-SNVBAGLBSA-N -1 1 289.306 3.031 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1ccc(F)cc1F ZINC001324444911 934505251 /nfs/dbraw/zinc/50/52/51/934505251.db2.gz UAXQDOHMIOFYBB-NXEZZACHSA-N -1 1 271.307 3.162 20 0 CGADMM Cc1cc(CSc2nc(-c3ccccc3)cc(=O)[n-]2)on1 ZINC001473094421 937792427 /nfs/dbraw/zinc/79/24/27/937792427.db2.gz SSQUTVFPVPKQFH-UHFFFAOYSA-N -1 1 299.355 3.438 20 0 CGADMM Cc1cnc(SCc2c(F)cccc2F)[n-]c1=O ZINC001473035750 937791109 /nfs/dbraw/zinc/79/11/09/937791109.db2.gz LWMCDYOOPUARAY-UHFFFAOYSA-N -1 1 268.288 3.061 20 0 CGADMM C[C@H](OC1CCCCC1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001325244535 934898644 /nfs/dbraw/zinc/89/86/44/934898644.db2.gz PPRJBFPOXATINR-VIFPVBQESA-N -1 1 299.317 3.347 20 0 CGADMM CC(C)(CNC(=O)c1ccc([O-])c(F)c1)C1CCC1 ZINC001328077483 935115367 /nfs/dbraw/zinc/11/53/67/935115367.db2.gz JRPWLRKMODOLRB-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM CC(C)=CC[C@@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC001330287246 935283657 /nfs/dbraw/zinc/28/36/57/935283657.db2.gz VNGLHWQBVPPGOP-GFCCVEGCSA-N -1 1 296.436 3.340 20 0 CGADMM CC(C)(C)O[N-]C(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC001332924000 935498087 /nfs/dbraw/zinc/49/80/87/935498087.db2.gz LXCBUYMGVSRUGS-GFCCVEGCSA-N -1 1 283.755 3.148 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1C(F)F ZINC001337597544 936272234 /nfs/dbraw/zinc/27/22/34/936272234.db2.gz FAPWGDPMLAFRIS-ZDUSSCGKSA-N -1 1 291.297 3.415 20 0 CGADMM Cc1nocc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC001520437985 938025647 /nfs/dbraw/zinc/02/56/47/938025647.db2.gz GPCFJBFVEPYSFJ-UHFFFAOYSA-N -1 1 272.638 3.167 20 0 CGADMM CCN(C(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001540770442 938133653 /nfs/dbraw/zinc/13/36/53/938133653.db2.gz WSLOUHKREIHMSO-UHFFFAOYSA-N -1 1 259.280 3.198 20 0 CGADMM O=C(NCc1ccsc1)c1ccc2ccc(O)cc2c1[O-] ZINC001540816787 938134137 /nfs/dbraw/zinc/13/41/37/938134137.db2.gz SFHTWKYRYKSZDZ-UHFFFAOYSA-N -1 1 299.351 3.243 20 0 CGADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(F)c([O-])c1 ZINC001543531826 938140174 /nfs/dbraw/zinc/14/01/74/938140174.db2.gz OWRWBKHWKOVTRX-NQBHXWOUSA-N -1 1 277.339 3.230 20 0 CGADMM CCc1nc([C@@H](C)NC(=O)c2ccc(F)c([O-])c2)cs1 ZINC001543804504 938141708 /nfs/dbraw/zinc/14/17/08/938141708.db2.gz RIKSXKWDYALOHQ-MRVPVSSYSA-N -1 1 294.351 3.041 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CC[C@H]1c1cccc(F)c1 ZINC001544765580 938146977 /nfs/dbraw/zinc/14/69/77/938146977.db2.gz DIWKJPJXEHZWMS-ZDUSSCGKSA-N -1 1 289.281 3.258 20 0 CGADMM O=C(N[C@@H]1CCCC[C@H]1F)c1cc(Cl)ccc1[O-] ZINC001557014984 938207203 /nfs/dbraw/zinc/20/72/03/938207203.db2.gz BOORDBSAMMVENE-GHMZBOCLSA-N -1 1 271.719 3.056 20 0 CGADMM Cc1ccccc1C[C@@H](C)C(=O)[N-]Oc1ccc(F)cc1 ZINC001557413134 938209736 /nfs/dbraw/zinc/20/97/36/938209736.db2.gz IPBTYFPVNLNEOG-CYBMUJFWSA-N -1 1 287.334 3.423 20 0 CGADMM C[C@@H]1CCCC[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001558209597 938214133 /nfs/dbraw/zinc/21/41/33/938214133.db2.gz VQZLCGICIZBZLW-ZYHUDNBSSA-N -1 1 281.783 3.488 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001558383114 938215114 /nfs/dbraw/zinc/21/51/14/938215114.db2.gz XFLLREUUFSDJCH-WPRPVWTQSA-N -1 1 287.281 3.329 20 0 CGADMM C/C(=C\c1ccco1)C(=O)Nc1ccc(F)cc1[O-] ZINC001558956027 938218646 /nfs/dbraw/zinc/21/86/46/938218646.db2.gz URSZKEDKQHOOHN-VQHVLOKHSA-N -1 1 261.252 3.166 20 0 CGADMM CCCc1cc(=O)[n-]c(SCC2=CCCC2)n1 ZINC001559324092 938225196 /nfs/dbraw/zinc/22/51/96/938225196.db2.gz BHHKCJPEERBXCD-UHFFFAOYSA-N -1 1 250.367 3.337 20 0 CGADMM CN(Cc1cccc(C(=O)[O-])c1)Cc1cc(F)cc(F)c1 ZINC001593755109 954444165 /nfs/dbraw/zinc/44/41/65/954444165.db2.gz DLBIQCOQVIGMCT-UHFFFAOYSA-N -1 1 291.297 3.295 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1F ZINC000037918872 957337291 /nfs/dbraw/zinc/33/72/91/957337291.db2.gz PJUGBVUBQKTQKG-UHFFFAOYSA-N -1 1 273.307 3.156 20 0 CGADMM Cc1cc([C@@H](C)NCc2cc(C(=O)[O-])oc2C)c(C)o1 ZINC000235190397 960396200 /nfs/dbraw/zinc/39/62/00/960396200.db2.gz AAYRZDLZSHLURZ-SECBINFHSA-N -1 1 277.320 3.347 20 0 CGADMM C[C@@H](NCc1occc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000235215506 960398208 /nfs/dbraw/zinc/39/82/08/960398208.db2.gz RVQVWMRCIINQKF-SECBINFHSA-N -1 1 279.723 3.482 20 0 CGADMM Cc1ccc([C@@H](C)NCc2occc2C(=O)[O-])cc1F ZINC000235215347 960398508 /nfs/dbraw/zinc/39/85/08/960398508.db2.gz XZWHMNBGLCWDDP-SNVBAGLBSA-N -1 1 277.295 3.276 20 0 CGADMM O=C(NC1CCC2(CCCCC2)CC1)c1ncccc1[O-] ZINC001567617012 961367982 /nfs/dbraw/zinc/36/79/82/961367982.db2.gz ZPNAOXUHKSDBFD-UHFFFAOYSA-N -1 1 288.391 3.410 20 0 CGADMM O=C(NCc1cccc(C(F)F)c1)c1cccc([O-])c1F ZINC001567610032 961374105 /nfs/dbraw/zinc/37/41/05/961374105.db2.gz OGCUSVDFXORIJP-UHFFFAOYSA-N -1 1 295.260 3.399 20 0 CGADMM Cc1ccc(F)c(CNCc2ccccc2C(=O)[O-])c1 ZINC001574369088 962303371 /nfs/dbraw/zinc/30/33/71/962303371.db2.gz MTZBOWSDFOVRRB-UHFFFAOYSA-N -1 1 273.307 3.122 20 0 CGADMM O=C(CCC(=O)c1cccs1)Nc1cccc(F)c1[O-] ZINC001587384851 963190718 /nfs/dbraw/zinc/19/07/18/963190718.db2.gz CRTRJLZAFQFYAX-UHFFFAOYSA-N -1 1 293.319 3.194 20 0 CGADMM C[C@H](c1ccccc1)N(C)C(=O)c1cccc([O-])c1F ZINC001587400861 963195357 /nfs/dbraw/zinc/19/53/57/963195357.db2.gz MSVONWOAJNCFAH-LLVKDONJSA-N -1 1 273.307 3.365 20 0 CGADMM O=C([O-])Cc1ccc(CNCc2ccsc2Cl)cc1 ZINC000312669199 963582927 /nfs/dbraw/zinc/58/29/27/963582927.db2.gz NSBXLQIDHRAWBS-UHFFFAOYSA-N -1 1 295.791 3.318 20 0 CGADMM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1ccccc1C(C)C ZINC001591710584 975587057 /nfs/dbraw/zinc/58/70/57/975587057.db2.gz CXHRLLGLWHEKGY-MRXNPFEDSA-N -1 1 293.407 3.120 20 0 CGADMM CC(F)(F)CN[C@H]1CCC[C@H](CCCC(=O)[O-])C1 ZINC001592944270 980020251 /nfs/dbraw/zinc/02/02/51/980020251.db2.gz WKRLOLWTEGMJOD-MNOVXSKESA-N -1 1 263.328 3.045 20 0 CGADMM CC[C@H]1CCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC001595468240 981160310 /nfs/dbraw/zinc/16/03/10/981160310.db2.gz QKEKKEUIPVVDSY-NSHDSACASA-N -1 1 253.729 3.023 20 0 CGADMM CCc1ccc(C)nc1NCc1ccc(C(=O)[O-])c(F)c1 ZINC001597514920 988124998 /nfs/dbraw/zinc/12/49/98/988124998.db2.gz YVUZHIQWYQUOJT-UHFFFAOYSA-N -1 1 288.322 3.402 20 0 CGADMM CSCCCN(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC001599798963 988143969 /nfs/dbraw/zinc/14/39/69/988143969.db2.gz GIHRHCSCVHKWCZ-UHFFFAOYSA-N -1 1 287.812 3.223 20 0 CGADMM C[C@@H](CF)N[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001599835148 988730165 /nfs/dbraw/zinc/73/01/65/988730165.db2.gz FAVOKHRMDGMOLE-WKEGUHRASA-N -1 1 280.126 3.067 20 0 CGADMM CCc1ncc(CN[C@@H](C)c2ccc(C(=O)[O-])cc2C)o1 ZINC001597701147 988925420 /nfs/dbraw/zinc/92/54/20/988925420.db2.gz ZCZFLMAVODERAV-NSHDSACASA-N -1 1 288.347 3.094 20 0 CGADMM CC(C)[C@H]1CCCN([C@@H](C)c2nc(C(=O)[O-])co2)CC1 ZINC001591087415 991606992 /nfs/dbraw/zinc/60/69/92/991606992.db2.gz KQHCAQDQVCDJGN-RYUDHWBXSA-N -1 1 280.368 3.192 20 0 CGADMM CC(C)n1cc([C@H](C)NCc2ccsc2C(=O)[O-])cn1 ZINC001593311940 994791427 /nfs/dbraw/zinc/79/14/27/994791427.db2.gz WFGUJXKUQKCBRJ-JTQLQIEISA-N -1 1 293.392 3.075 20 0 CGADMM C[C@@H](c1cccc(O)c1)N(C)Cc1csc(C(=O)[O-])c1 ZINC001593704081 996182915 /nfs/dbraw/zinc/18/29/15/996182915.db2.gz ZFFLSLNXFRTAJY-JTQLQIEISA-N -1 1 291.372 3.345 20 0 CGADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CC(C)(C)CC(C)(C)C1 ZINC001593726147 996287594 /nfs/dbraw/zinc/28/75/94/996287594.db2.gz ZYPGLDAVPZKQOD-JTQLQIEISA-N -1 1 280.368 3.192 20 0 CGADMM COc1ccc(C)cc1CNCc1cc(C(=O)[O-])cs1 ZINC001599534098 997710901 /nfs/dbraw/zinc/71/09/01/997710901.db2.gz FMAYEWQTWTZCGJ-UHFFFAOYSA-N -1 1 291.372 3.053 20 0 CGADMM C[C@@H]1CCC[C@@H](C2CN(Cc3cc(C(=O)[O-])co3)C2)C1 ZINC001594344896 999304368 /nfs/dbraw/zinc/30/43/68/999304368.db2.gz KAQXGWRWMWEJCN-VXGBXAGGSA-N -1 1 277.364 3.236 20 0 CGADMM C[C@H]1CCSCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000189962384 290612709 /nfs/dbraw/zinc/61/27/09/290612709.db2.gz BAKBVYANSKYNOR-VIFPVBQESA-N -1 1 285.796 3.013 20 0 CGADMM CC(C)(NC(=O)c1cc(F)ccc1[O-])c1cccc(F)c1 ZINC000622382591 349675691 /nfs/dbraw/zinc/67/56/91/349675691.db2.gz YRLIKUVBPJGNBZ-UHFFFAOYSA-N -1 1 291.297 3.336 20 0 CGADMM COc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])ccn1 ZINC000622605999 349689909 /nfs/dbraw/zinc/68/99/09/349689909.db2.gz JXLDSZIHABBFBJ-UHFFFAOYSA-N -1 1 286.331 3.172 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cccc(COC)c2)n1 ZINC000436245886 529567303 /nfs/dbraw/zinc/56/73/03/529567303.db2.gz XADYKXUHGBGIPF-UHFFFAOYSA-N -1 1 290.388 3.183 20 0 CGADMM CCc1ccc(C(=O)Nc2sc(C)nc2C)c([O-])c1 ZINC000436828712 529611601 /nfs/dbraw/zinc/61/16/01/529611601.db2.gz JFLUSFLWQLXKOY-UHFFFAOYSA-N -1 1 276.361 3.280 20 0 CGADMM CCOc1cc(C(=O)NCC2CC(C)C2)cc(Cl)c1[O-] ZINC000623040312 349754229 /nfs/dbraw/zinc/75/42/29/349754229.db2.gz SFOCLRMJNVKYPH-UHFFFAOYSA-N -1 1 297.782 3.220 20 0 CGADMM CCc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000591726126 346933484 /nfs/dbraw/zinc/93/34/84/346933484.db2.gz FHLAATUTJCGHRE-UHFFFAOYSA-N -1 1 268.291 3.292 20 0 CGADMM CN(Cc1ccc[nH]1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436752133 529992302 /nfs/dbraw/zinc/99/23/02/529992302.db2.gz QCRVINSFROTCQQ-UHFFFAOYSA-N -1 1 298.264 3.011 20 0 CGADMM O=C(Nc1ccc(N2CCCCC2)nc1)c1ccccc1[O-] ZINC000045755087 345029736 /nfs/dbraw/zinc/02/97/36/345029736.db2.gz VUITXEDBFSEHEY-UHFFFAOYSA-N -1 1 297.358 3.030 20 0 CGADMM O=C([O-])C[C@H]1CCCN1Cc1cc(Cl)ccc1Cl ZINC000087761501 345756677 /nfs/dbraw/zinc/75/66/77/345756677.db2.gz LXMGSRVUEPPSQA-LLVKDONJSA-N -1 1 288.174 3.433 20 0 CGADMM Cc1cscc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000161615217 232249992 /nfs/dbraw/zinc/24/99/92/232249992.db2.gz KBSKKJJRNLPWQY-UHFFFAOYSA-N -1 1 281.402 3.474 20 0 CGADMM CCO[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000126933615 346028375 /nfs/dbraw/zinc/02/83/75/346028375.db2.gz FSDQNTPPIQCTAG-AWEZNQCLSA-N -1 1 299.370 3.187 20 0 CGADMM CC(C)(C)CC(C)(C)NC(=O)c1cc(F)ccc1[O-] ZINC000128646285 346042238 /nfs/dbraw/zinc/04/22/38/346042238.db2.gz LOMLHGZKTUJYGG-UHFFFAOYSA-N -1 1 267.344 3.476 20 0 CGADMM O=C(NCCCC1CCCC1)c1c([O-])cccc1F ZINC000225337607 346303989 /nfs/dbraw/zinc/30/39/89/346303989.db2.gz YCIRRSAHGKRGDE-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM CC1(C)[C@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])co1 ZINC000312843400 346478602 /nfs/dbraw/zinc/47/86/02/346478602.db2.gz LACZPXFIUNGZSB-SNVBAGLBSA-N -1 1 291.269 3.141 20 0 CGADMM CC(C)CN(Cc1ccccc1)C(=O)c1ncccc1[O-] ZINC000494831707 535058429 /nfs/dbraw/zinc/05/84/29/535058429.db2.gz INLCXEXZLHMDCA-UHFFFAOYSA-N -1 1 284.359 3.086 20 0 CGADMM Cc1ccc(C)c(C(=O)Nc2c([O-])cccc2F)c1 ZINC000608367160 348302301 /nfs/dbraw/zinc/30/23/01/348302301.db2.gz VLOHFWSXDSHQTN-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ncc2ccccc2c1[O-] ZINC000614012913 348646449 /nfs/dbraw/zinc/64/64/49/348646449.db2.gz MDDHOVWJKAFGMH-GFCCVEGCSA-N -1 1 296.370 3.345 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@H](C2CC2)C1 ZINC000614927244 348700516 /nfs/dbraw/zinc/70/05/16/348700516.db2.gz GFTRDIGNIMRWJM-AWEZNQCLSA-N -1 1 296.370 3.203 20 0 CGADMM C[C@@H]1CN(C(=O)c2ncc3ccccc3c2[O-])[C@@H](C)[C@H]1C ZINC000616345484 348812520 /nfs/dbraw/zinc/81/25/20/348812520.db2.gz TXHAXQGIIYTLKD-WOPDTQHZSA-N -1 1 284.359 3.057 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](CCF)C1 ZINC000618691561 349144595 /nfs/dbraw/zinc/14/45/95/349144595.db2.gz UPDIVYHWTYRFPL-JTQLQIEISA-N -1 1 285.746 3.257 20 0 CGADMM Oc1ccc(Cl)c(CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000625215863 350141322 /nfs/dbraw/zinc/14/13/22/350141322.db2.gz KLFKJDCBDUZMSK-UHFFFAOYSA-N -1 1 291.782 3.148 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C1(C(F)(F)F)CCC1 ZINC000628959840 350625515 /nfs/dbraw/zinc/62/55/15/350625515.db2.gz IAZJMIRJOCAYPV-UHFFFAOYSA-N -1 1 277.217 3.202 20 0 CGADMM CCC[C@H](C)CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629376200 350683428 /nfs/dbraw/zinc/68/34/28/350683428.db2.gz GEOIGISFOMDLHJ-LBPRGKRZSA-N -1 1 287.363 3.343 20 0 CGADMM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378468 350684524 /nfs/dbraw/zinc/68/45/24/350684524.db2.gz XNSYJBKLEWKSPZ-NEPJUHHUSA-N -1 1 287.363 3.199 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CCCC2(CC2)CC1 ZINC000629646735 350728933 /nfs/dbraw/zinc/72/89/33/350728933.db2.gz QFEDHNKPOWGCDA-UHFFFAOYSA-N -1 1 281.302 3.077 20 0 CGADMM Cc1nc(S[C@@H]2CCCCCC2=O)[n-]c(=O)c1C1CC1 ZINC000631024795 350927736 /nfs/dbraw/zinc/92/77/36/350927736.db2.gz DMLQNIFXPMTVIQ-GFCCVEGCSA-N -1 1 292.404 3.362 20 0 CGADMM CCC(=O)CCCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024198 350927795 /nfs/dbraw/zinc/92/77/95/350927795.db2.gz OJYBAGYJIKHZAU-UHFFFAOYSA-N -1 1 280.393 3.219 20 0 CGADMM C[C@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000630693933 350871640 /nfs/dbraw/zinc/87/16/40/350871640.db2.gz ASHZDIMILTUIHN-CMPLNLGQSA-N -1 1 281.783 3.283 20 0 CGADMM C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000631297620 351018984 /nfs/dbraw/zinc/01/89/84/351018984.db2.gz IDOHXKUFZQCSDL-SNVBAGLBSA-N -1 1 281.783 3.283 20 0 CGADMM CC[C@@H](C)CN(CC)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631617450 351092207 /nfs/dbraw/zinc/09/22/07/351092207.db2.gz VIUDQYCIEWRJLB-LLVKDONJSA-N -1 1 283.799 3.483 20 0 CGADMM C[C@H]1C[C@@H]1c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000632079143 351166040 /nfs/dbraw/zinc/16/60/40/351166040.db2.gz KHZLUWNFRDJPPJ-CBAPKCEASA-N -1 1 264.712 3.143 20 0 CGADMM CC(C)(C)c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000632098894 351167987 /nfs/dbraw/zinc/16/79/87/351167987.db2.gz NDXQGYORUGZBOO-UHFFFAOYSA-N -1 1 266.728 3.317 20 0 CGADMM CC1(c2noc(Cc3ccc([O-])c(Cl)c3)n2)CC1 ZINC000632158638 351174950 /nfs/dbraw/zinc/17/49/50/351174950.db2.gz CBNHUUKRTYBHEN-UHFFFAOYSA-N -1 1 264.712 3.071 20 0 CGADMM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C1CC1 ZINC000634588328 351526105 /nfs/dbraw/zinc/52/61/05/351526105.db2.gz PGIJVUIXVNLAOX-GFCCVEGCSA-N -1 1 293.164 3.198 20 0 CGADMM C[C@H](COc1ccccc1)n1[n-]c2c(c1=O)CCCCC2 ZINC000634629299 351551888 /nfs/dbraw/zinc/55/18/88/351551888.db2.gz QVDPKFNBGUFXGZ-HIFRSBDPSA-N -1 1 286.375 3.232 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccccc3Br)c(=O)c21 ZINC000634588316 351526575 /nfs/dbraw/zinc/52/65/75/351526575.db2.gz PBWFYOBMAVBXPD-UFBFGSQYSA-N -1 1 293.164 3.198 20 0 CGADMM CCc1c(=O)n(Cc2ccc(F)c(F)c2)[n-]c1C(C)C ZINC000634590726 351528013 /nfs/dbraw/zinc/52/80/13/351528013.db2.gz HVPYYDKDCJOHNT-NSHDSACASA-N -1 1 280.318 3.345 20 0 CGADMM Cc1[n-]n(-c2cccc(C(F)(F)F)c2)c(=O)c1C1CC1 ZINC000634593321 351529769 /nfs/dbraw/zinc/52/97/69/351529769.db2.gz LKVMLZDAQVWVNU-GFCCVEGCSA-N -1 1 282.265 3.454 20 0 CGADMM CCCc1[n-]n(Cc2ccccc2N(C)C)c(=O)c1CC ZINC000634596107 351531776 /nfs/dbraw/zinc/53/17/76/351531776.db2.gz WGGUAWXJVIPWKH-CQSZACIVSA-N -1 1 287.407 3.277 20 0 CGADMM CCc1c(=O)n(-c2cc(C)ccn2)[n-]c1-c1cccc(C)c1 ZINC000634600383 351535359 /nfs/dbraw/zinc/53/53/59/351535359.db2.gz FCLVQARQHQYSDX-OAHLLOKOSA-N -1 1 293.370 3.476 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccnc(C(F)(F)F)c2)c1=O ZINC000634618299 351546281 /nfs/dbraw/zinc/54/62/81/351546281.db2.gz MJTIULAGIZWPOE-JTQLQIEISA-N -1 1 285.269 3.239 20 0 CGADMM O=c1c2c([n-]n1Cc1cc(Cl)ccc1Cl)CCC2 ZINC000634626786 351550545 /nfs/dbraw/zinc/55/05/45/351550545.db2.gz LZVLRFCCVSATPM-JTQLQIEISA-N -1 1 283.158 3.492 20 0 CGADMM C[C@@H](COc1ccccc1)n1[n-]c2c(c1=O)CCCCC2 ZINC000634629298 351551481 /nfs/dbraw/zinc/55/14/81/351551481.db2.gz QVDPKFNBGUFXGZ-DZGCQCFKSA-N -1 1 286.375 3.232 20 0 CGADMM C[C@@H]1CCc2[n-]n([C@H]3CCc4c3cccc4F)c(=O)c2C1 ZINC000634632561 351554543 /nfs/dbraw/zinc/55/45/43/351554543.db2.gz UVCBMNCTDNBUCF-ZXIHIIQKSA-N -1 1 286.350 3.447 20 0 CGADMM O=C([N-]c1ccncc1F)c1c(F)c(F)cc(F)c1F ZINC000123138741 187073551 /nfs/dbraw/zinc/07/35/51/187073551.db2.gz HJKSNTKEWUTZOA-UHFFFAOYSA-N -1 1 288.175 3.029 20 0 CGADMM CC[C@H](NC(=O)c1cncc([O-])c1)C(C)(C)c1ccccc1 ZINC000339895920 215385962 /nfs/dbraw/zinc/38/59/62/215385962.db2.gz KQBCYWKZHYHTTO-INIZCTEOSA-N -1 1 298.386 3.273 20 0 CGADMM Cc1ccc([C@H]2CCCN2C(=O)c2ncccc2[O-])cc1 ZINC000366648964 234181031 /nfs/dbraw/zinc/18/10/31/234181031.db2.gz ZIDNPUMMPOXLQI-CQSZACIVSA-N -1 1 282.343 3.073 20 0 CGADMM CO[C@@H]1CCCC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000293131890 198534944 /nfs/dbraw/zinc/53/49/44/198534944.db2.gz JBIRESDDCVHGAK-WCQYABFASA-N -1 1 292.310 3.254 20 0 CGADMM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1ccc([O-])cc1F ZINC000412472885 235173548 /nfs/dbraw/zinc/17/35/48/235173548.db2.gz JEYLBQXPTBWZAR-YPMHNXCESA-N -1 1 277.339 3.087 20 0 CGADMM CCOc1cc(C(=O)N2C[C@H](C)[C@H](C)C2)cc(Cl)c1[O-] ZINC000273802442 192313403 /nfs/dbraw/zinc/31/34/03/192313403.db2.gz BGUXFHNZPQTBPR-AOOOYVTPSA-N -1 1 297.782 3.172 20 0 CGADMM Cc1cccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000417712827 235647624 /nfs/dbraw/zinc/64/76/24/235647624.db2.gz XJJQJNFRMMXYQL-UHFFFAOYSA-N -1 1 296.370 3.255 20 0 CGADMM C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000424753333 236187615 /nfs/dbraw/zinc/18/76/15/236187615.db2.gz PCCGNUISIUUYKX-ONGXEEELSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@H](CO)[N@@H+](Cc1cccc([O-])c1Cl)CC1CCC1 ZINC000294579640 199094023 /nfs/dbraw/zinc/09/40/23/199094023.db2.gz GVVMEPKNWOGNDL-LLVKDONJSA-N -1 1 283.799 3.029 20 0 CGADMM Cc1ccc([C@H](C)N(C)C(=O)c2ncc(C)cc2[O-])cc1 ZINC000426436943 236294444 /nfs/dbraw/zinc/29/44/44/236294444.db2.gz TZXWGQWXGPHRTA-ZDUSSCGKSA-N -1 1 284.359 3.237 20 0 CGADMM O=C([O-])[C@H](NCc1ccc(Cl)cc1F)c1ccsc1 ZINC000426833132 236317724 /nfs/dbraw/zinc/31/77/24/236317724.db2.gz KXMQSJKJHWBGLY-GFCCVEGCSA-N -1 1 299.754 3.456 20 0 CGADMM O=C(Nc1nc(-c2ccccc2F)co1)c1ccccc1[O-] ZINC000436562974 237132197 /nfs/dbraw/zinc/13/21/97/237132197.db2.gz LDZNCYIGVUBRQA-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cn1 ZINC000436800975 237181264 /nfs/dbraw/zinc/18/12/64/237181264.db2.gz YZDGUIDRVBDYRS-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccccc1[O-] ZINC000436697581 237163484 /nfs/dbraw/zinc/16/34/84/237163484.db2.gz JUKDBMRZQQLTQA-CYBMUJFWSA-N -1 1 283.327 3.148 20 0 CGADMM COc1cccc([C@H](C)NC(=O)c2cc(F)ccc2[O-])c1 ZINC000436756012 237174519 /nfs/dbraw/zinc/17/45/19/237174519.db2.gz PGZKUJXKBWFZMY-JTQLQIEISA-N -1 1 289.306 3.031 20 0 CGADMM O=C(NCCOC1CCCCCC1)c1c([O-])cccc1F ZINC000436951718 237220485 /nfs/dbraw/zinc/22/04/85/237220485.db2.gz RLJRNMIQMBYYHR-UHFFFAOYSA-N -1 1 295.354 3.001 20 0 CGADMM COc1cc(NC(=O)c2ccccc2[O-])c(C)cc1C ZINC000436928492 237212068 /nfs/dbraw/zinc/21/20/68/237212068.db2.gz RASSIZONHGBQSX-UHFFFAOYSA-N -1 1 271.316 3.270 20 0 CGADMM CCn1c2cc(F)ccc2nc1NC(=O)c1ccccc1[O-] ZINC000436949572 237215732 /nfs/dbraw/zinc/21/57/32/237215732.db2.gz LCFOETSFQKMZHM-UHFFFAOYSA-N -1 1 299.305 3.153 20 0 CGADMM Cc1c(=O)[n-]c(SCC[C@@H](C)O)nc1-c1ccccc1 ZINC000439284283 238247006 /nfs/dbraw/zinc/24/70/06/238247006.db2.gz LXJXXLUURYBQRU-SNVBAGLBSA-N -1 1 290.388 3.021 20 0 CGADMM CC[C@@](C)(NC(=O)c1ccc([O-])cc1F)c1nccs1 ZINC000181991762 189311772 /nfs/dbraw/zinc/31/17/72/189311772.db2.gz KIRMCFVTUNMICZ-CQSZACIVSA-N -1 1 294.351 3.043 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2ccc(Cl)nc2)[n-]1 ZINC000188131120 189491512 /nfs/dbraw/zinc/49/15/12/189491512.db2.gz WXQLUUSSBSCQSX-UHFFFAOYSA-N -1 1 293.779 3.400 20 0 CGADMM CCCCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000450962917 240171658 /nfs/dbraw/zinc/17/16/58/240171658.db2.gz XHXGMTWMDHNDKU-UHFFFAOYSA-N -1 1 285.340 3.040 20 0 CGADMM O=S(=O)(CCCCF)[N-]c1cccc2ccsc21 ZINC000451023633 240192486 /nfs/dbraw/zinc/19/24/86/240192486.db2.gz LCOFKXQHSFINGA-UHFFFAOYSA-N -1 1 287.381 3.393 20 0 CGADMM CC1([N-]S(=O)(=O)c2sccc2Cl)CCCCC1 ZINC000451097852 240217710 /nfs/dbraw/zinc/21/77/10/240217710.db2.gz FXCUXQLUEAIBKM-UHFFFAOYSA-N -1 1 293.841 3.403 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H](C)[C@H]2CCC[C@H](C)C2)s[n-]1 ZINC000450932359 294341740 /nfs/dbraw/zinc/34/17/40/294341740.db2.gz RFUMZMDQGPTKGS-YFKTTZPYSA-N -1 1 283.441 3.294 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ccc(C)nc2C)n1 ZINC000479215413 243096506 /nfs/dbraw/zinc/09/65/06/243096506.db2.gz WHNBDQNVVXXBRK-UHFFFAOYSA-N -1 1 289.404 3.439 20 0 CGADMM O=C([O-])[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000003749220 368517898 /nfs/dbraw/zinc/51/78/98/368517898.db2.gz LLRUYHLJCAKRBE-SNVBAGLBSA-N -1 1 288.174 3.290 20 0 CGADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000048652619 369363861 /nfs/dbraw/zinc/36/38/61/369363861.db2.gz VAAMVJIBLRWFSO-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000060560945 369589228 /nfs/dbraw/zinc/58/92/28/369589228.db2.gz WYXBLUCQEQNWDX-RXMQYKEDSA-N -1 1 288.221 3.132 20 0 CGADMM Cc1cc(NCc2cccc([O-])c2Cl)ccc1C(N)=O ZINC000353286942 220009600 /nfs/dbraw/zinc/00/96/00/220009600.db2.gz PPDPZFZERONRMV-UHFFFAOYSA-N -1 1 290.750 3.065 20 0 CGADMM C[C@H](c1ccc(F)c(Cl)c1)N1CCC(C(=O)[O-])CC1 ZINC000086727734 370022495 /nfs/dbraw/zinc/02/24/95/370022495.db2.gz KMUOKVDFYSOMPY-SECBINFHSA-N -1 1 285.746 3.337 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC2(CCCC2)CC1 ZINC000080029676 369982304 /nfs/dbraw/zinc/98/23/04/369982304.db2.gz DXAPHYFZGLSHRX-UHFFFAOYSA-N -1 1 277.339 3.328 20 0 CGADMM O=C(COc1ccc(F)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000111667431 370404502 /nfs/dbraw/zinc/40/45/02/370404502.db2.gz CAKPWQQODGKVJK-UHFFFAOYSA-N -1 1 295.697 3.202 20 0 CGADMM CC(C)[C@H](NC(=O)c1cncc([O-])c1)c1ccc(F)cc1 ZINC000111776215 370407559 /nfs/dbraw/zinc/40/75/59/370407559.db2.gz YHHQTBQMZNYWTQ-HNNXBMFYSA-N -1 1 288.322 3.053 20 0 CGADMM O=C(Nc1cccc2cccnc21)c1cc(F)ccc1[O-] 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CO[C@H]1CCCC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000293131880 372306999 /nfs/dbraw/zinc/30/69/99/372306999.db2.gz JBIRESDDCVHGAK-AAEUAGOBSA-N -1 1 292.310 3.254 20 0 CGADMM CC(C)(C)c1[nH]ncc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000293407590 372376462 /nfs/dbraw/zinc/37/64/62/372376462.db2.gz KDKMRCPUCNQIMF-UHFFFAOYSA-N -1 1 293.754 3.319 20 0 CGADMM c1ccc(C(SCc2nn[n-]n2)c2ccccc2)cc1 ZINC000435176715 372737223 /nfs/dbraw/zinc/73/72/23/372737223.db2.gz IMBGQFXACAMDNT-UHFFFAOYSA-N -1 1 282.372 3.223 20 0 CGADMM COc1cc(C(=O)N(C)[C@H](C)C2CCC2)cc(Cl)c1[O-] ZINC000442797888 373088414 /nfs/dbraw/zinc/08/84/14/373088414.db2.gz IALWVYVDLUCGKK-SECBINFHSA-N -1 1 297.782 3.315 20 0 CGADMM CCOc1cc(C(=O)N[C@H]2CC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000444463679 373192151 /nfs/dbraw/zinc/19/21/51/373192151.db2.gz HICGVRAEECBYCH-KOLCDFICSA-N -1 1 297.782 3.363 20 0 CGADMM CCC1(C(=O)N=c2cc(-c3cc(C)ccc3F)[n-][nH]2)CC1 ZINC000444789062 373278920 /nfs/dbraw/zinc/27/89/20/373278920.db2.gz ZEMKJDSLIHCUBB-UHFFFAOYSA-N -1 1 287.338 3.075 20 0 CGADMM Cc1cc2cc(NC(=O)c3ccc(O)cc3[O-])ccc2[nH]1 ZINC000179421532 373870415 /nfs/dbraw/zinc/87/04/15/373870415.db2.gz OXNXKYOWYDHUBF-UHFFFAOYSA-N -1 1 282.299 3.140 20 0 CGADMM Cc1ccc(CNC(=O)c2ccc([O-])cc2F)c(C)c1 ZINC000181112934 374080784 /nfs/dbraw/zinc/08/07/84/374080784.db2.gz QDTOQMCMWBCIHS-UHFFFAOYSA-N -1 1 273.307 3.078 20 0 CGADMM CN(Cc1ccccc1Cl)C(=O)c1ccc([O-])cc1F ZINC000181042176 374071752 /nfs/dbraw/zinc/07/17/52/374071752.db2.gz OMJPKVKESPVZOU-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM CCC[C@H](N=c1nc([C@@H](C)OC)[n-]s1)C(C)(C)C ZINC000450712616 374174967 /nfs/dbraw/zinc/17/49/67/374174967.db2.gz WDIOGHJUAZDSBM-ZJUUUORDSA-N -1 1 271.430 3.294 20 0 CGADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)C(C)(F)F ZINC000328208047 374360872 /nfs/dbraw/zinc/36/08/72/374360872.db2.gz UOEFNLJMZHHYEP-LURJTMIESA-N -1 1 263.671 3.275 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1ncoc1C1CC1 ZINC000334186064 206160452 /nfs/dbraw/zinc/16/04/52/206160452.db2.gz GKXSRYULRCYQON-UHFFFAOYSA-N -1 1 278.695 3.163 20 0 CGADMM CS[C@@H](C)CCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456775646 374620789 /nfs/dbraw/zinc/62/07/89/374620789.db2.gz CZXSHCXTRCJLIW-ZETCQYMHSA-N -1 1 275.320 3.141 20 0 CGADMM C[C@H]1CC[C@H](CC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000456781876 374622130 /nfs/dbraw/zinc/62/21/30/374622130.db2.gz JXHVOXLVWZVIOL-IUCAKERBSA-N -1 1 269.291 3.435 20 0 CGADMM CSc1ccc(N(C)C(=O)c2ccccc2[O-])cc1 ZINC000334473575 374780663 /nfs/dbraw/zinc/78/06/63/374780663.db2.gz LMCUBDIOPLOQLI-UHFFFAOYSA-N -1 1 273.357 3.391 20 0 CGADMM [O-]c1cccc(CN2CCC[C@H]2c2ncc[nH]2)c1Cl ZINC000334494510 374791728 /nfs/dbraw/zinc/79/17/28/374791728.db2.gz RCSSWOJJRAYJKY-NSHDSACASA-N -1 1 277.755 3.106 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2cccc(C)c2)n1 ZINC000188124830 375161796 /nfs/dbraw/zinc/16/17/96/375161796.db2.gz HGBHHPDJDKWJHE-NSHDSACASA-N -1 1 274.389 3.494 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CC3(F)F)n2)c(Cl)c1 ZINC000335146168 375173228 /nfs/dbraw/zinc/17/32/28/375173228.db2.gz 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249080434 /nfs/dbraw/zinc/08/04/34/249080434.db2.gz WNZNBIYIZSITOD-UHFFFAOYSA-N -1 1 297.782 3.125 20 0 CGADMM Cc1cnc(SCc2csc(C3CC3)n2)[n-]c1=O ZINC000519001305 249290832 /nfs/dbraw/zinc/29/08/32/249290832.db2.gz WOUBHDPRTGFKRO-UHFFFAOYSA-N -1 1 279.390 3.117 20 0 CGADMM CN(Cc1c(Cl)cccc1C(=O)[O-])C[C@@H]1CCCCO1 ZINC000574883176 377721139 /nfs/dbraw/zinc/72/11/39/377721139.db2.gz BDYTXOFCJQYHBQ-NSHDSACASA-N -1 1 297.782 3.039 20 0 CGADMM Cc1cnc(SCCO[C@H]2CCCC[C@H]2C)[n-]c1=O ZINC000567754244 322176391 /nfs/dbraw/zinc/17/63/91/322176391.db2.gz VPESOCXCRMOFPG-PWSUYJOCSA-N -1 1 282.409 3.178 20 0 CGADMM CC(C)OCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278133338 379298342 /nfs/dbraw/zinc/29/83/42/379298342.db2.gz KLKLQPFCHJFMGU-UHFFFAOYSA-N -1 1 268.700 3.021 20 0 CGADMM [O-]c1ccc(-c2noc(C3(O)CCCCC3)n2)c(Cl)c1 ZINC000278143810 379301875 /nfs/dbraw/zinc/30/18/75/379301875.db2.gz LMDAKNJBSPFJAA-UHFFFAOYSA-N -1 1 294.738 3.247 20 0 CGADMM CC(C)(C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278186365 379312985 /nfs/dbraw/zinc/31/29/85/379312985.db2.gz ORDNIJRUYIIITJ-UHFFFAOYSA-N -1 1 252.701 3.393 20 0 CGADMM CC(C)c1nnc([N-]C(=O)c2coc(C3CCC3)n2)s1 ZINC000193899570 542273541 /nfs/dbraw/zinc/27/35/41/542273541.db2.gz JANYVTKHDOBNNP-UHFFFAOYSA-N -1 1 292.364 3.169 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@H]2C2CCCCC2)c([O-])c1 ZINC000408224670 380000499 /nfs/dbraw/zinc/00/04/99/380000499.db2.gz PZSGSOXAVPGNBT-AWEZNQCLSA-N -1 1 288.391 3.281 20 0 CGADMM C[C@@H](c1ccccc1)N(C(=O)c1cncc([O-])c1)C1CC1 ZINC000284063894 380122495 /nfs/dbraw/zinc/12/24/95/380122495.db2.gz VHHFFYIPMXVDRM-LBPRGKRZSA-N -1 1 282.343 3.153 20 0 CGADMM CCSc1cccc(F)c1[N-]C(=O)c1ccnc(C)n1 ZINC000643855433 380388115 /nfs/dbraw/zinc/38/81/15/380388115.db2.gz SABZNLXLSLTWMG-UHFFFAOYSA-N -1 1 291.351 3.288 20 0 CGADMM CC[C@H](NCc1cccc([O-])c1Cl)C(F)(F)F ZINC000645176979 380604925 /nfs/dbraw/zinc/60/49/25/380604925.db2.gz VWWIFGMJFQKKKJ-VIFPVBQESA-N -1 1 267.678 3.476 20 0 CGADMM CO[C@H](CN=c1[n-]c(C(F)(F)F)cs1)CC(C)C ZINC000418992956 380759201 /nfs/dbraw/zinc/75/92/01/380759201.db2.gz OQTSPZVRDFTWIU-QMMMGPOBSA-N -1 1 282.331 3.057 20 0 CGADMM CC(=O)CCC(C)(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000357375206 381132820 /nfs/dbraw/zinc/13/28/20/381132820.db2.gz NVCSWAXNECVQDF-UHFFFAOYSA-N -1 1 283.755 3.380 20 0 CGADMM CC(C)C[C@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361369012 381719988 /nfs/dbraw/zinc/71/99/88/381719988.db2.gz WJLAWANGAANNDU-NSHDSACASA-N -1 1 287.363 3.403 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H]1C1CC1 ZINC000334920319 207292099 /nfs/dbraw/zinc/29/20/99/207292099.db2.gz YJZWQVWCGHDMNX-LLVKDONJSA-N -1 1 285.265 3.036 20 0 CGADMM CC(C)CCOc1ccccc1C[N-]C(=O)C(F)(F)F ZINC000725900368 572488870 /nfs/dbraw/zinc/48/88/70/572488870.db2.gz BXVMPMFZBUBHQD-UHFFFAOYSA-N -1 1 289.297 3.290 20 0 CGADMM CC(C)C[C@H](C)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000312165628 542432839 /nfs/dbraw/zinc/43/28/39/542432839.db2.gz CEHWVGNRQZKDKL-XJKSGUPXSA-N -1 1 275.392 3.353 20 0 CGADMM CC(C)C1(NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000379720514 572527537 /nfs/dbraw/zinc/52/75/37/572527537.db2.gz YYSSNMGVHOYYBD-UHFFFAOYSA-N -1 1 298.180 3.073 20 0 CGADMM COCCC1(NC(=O)c2cc3ccccc3cc2[O-])CCC1 ZINC000436903325 533219095 /nfs/dbraw/zinc/21/90/95/533219095.db2.gz MJJBAMVVTNZFBJ-UHFFFAOYSA-N -1 1 299.370 3.234 20 0 CGADMM CO[C@@H](C)c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000170730167 533357327 /nfs/dbraw/zinc/35/73/27/533357327.db2.gz BNQHMGLLFZQBCV-NSHDSACASA-N -1 1 271.316 3.352 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1Cc2ccccc2C1 ZINC000050912625 392067180 /nfs/dbraw/zinc/06/71/80/392067180.db2.gz KJBMWHODWAFZCN-UHFFFAOYSA-N -1 1 273.719 3.202 20 0 CGADMM CCC[C@@H](CC)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000291549754 392466960 /nfs/dbraw/zinc/46/69/60/392466960.db2.gz PYFABIRHGSVYBL-LLVKDONJSA-N -1 1 293.411 3.097 20 0 CGADMM CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000334493133 392732605 /nfs/dbraw/zinc/73/26/05/392732605.db2.gz DYJKETQIZXPJDG-MWLCHTKSSA-N -1 1 283.755 3.189 20 0 CGADMM Fc1cccc(Sc2cccs2)c1-c1nn[n-]n1 ZINC000737663829 572609632 /nfs/dbraw/zinc/60/96/32/572609632.db2.gz KNGKHEUEPPKLAF-UHFFFAOYSA-N -1 1 278.337 3.219 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2c(C)cccc2C)n1 ZINC000195077412 392955947 /nfs/dbraw/zinc/95/59/47/392955947.db2.gz JSXPPZSTQWUSRD-UHFFFAOYSA-N -1 1 274.389 3.241 20 0 CGADMM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000408371527 392972469 /nfs/dbraw/zinc/97/24/69/392972469.db2.gz YRQQBENBECGELP-OLZOCXBDSA-N -1 1 276.380 3.136 20 0 CGADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2cncc([O-])c2)CC1 ZINC000546721425 393070273 /nfs/dbraw/zinc/07/02/73/393070273.db2.gz YNPLWGPLPHYZJR-JSGCOSHPSA-N -1 1 276.380 3.122 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cccc2ccc(=O)[nH]c21 ZINC000349113392 393139656 /nfs/dbraw/zinc/13/96/56/393139656.db2.gz YEOWJLVEWGPETK-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000271320770 393248640 /nfs/dbraw/zinc/24/86/40/393248640.db2.gz UITJIKIXPIZRSO-ZDUSSCGKSA-N -1 1 265.328 3.182 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCCCC1(F)F ZINC000648940598 393296288 /nfs/dbraw/zinc/29/62/88/393296288.db2.gz QPOBBPBTPMZEBQ-MRVPVSSYSA-N -1 1 273.254 3.295 20 0 CGADMM CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000416545870 393314606 /nfs/dbraw/zinc/31/46/06/393314606.db2.gz IYGNHEPHZTZCDG-KOLCDFICSA-N -1 1 293.841 3.114 20 0 CGADMM CC[C@@H]1CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000647054716 393334568 /nfs/dbraw/zinc/33/45/68/393334568.db2.gz MUHWOXPYXWIQIA-SECBINFHSA-N -1 1 273.254 3.036 20 0 CGADMM CC(C)Cn1nccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000648836704 393267890 /nfs/dbraw/zinc/26/78/90/393267890.db2.gz KUXRKKDRICWHRW-UHFFFAOYSA-N -1 1 293.754 3.150 20 0 CGADMM Cc1cc(CCCC(=O)Nc2c(C)[n-][nH]c2=O)c(C)s1 ZINC000646413131 393280660 /nfs/dbraw/zinc/28/06/60/393280660.db2.gz PTZDFPMHFJBBLU-UHFFFAOYSA-N -1 1 293.392 3.063 20 0 CGADMM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000649066801 393342172 /nfs/dbraw/zinc/34/21/72/393342172.db2.gz LQGVAMIUDJYJNC-CHWSQXEVSA-N -1 1 288.391 3.076 20 0 CGADMM CC[C@@H](CS(=O)(=O)[N-]c1csc2ccccc12)OC ZINC000421161692 393592610 /nfs/dbraw/zinc/59/26/10/393592610.db2.gz XXCVXEWVCRVTDE-JTQLQIEISA-N -1 1 299.417 3.068 20 0 CGADMM CC(C)C1CCC(N(C)C(=O)c2ncccc2[O-])CC1 ZINC000432543513 393617870 /nfs/dbraw/zinc/61/78/70/393617870.db2.gz UMLNDXJPPNPSOH-UHFFFAOYSA-N -1 1 276.380 3.074 20 0 CGADMM CCc1ccccc1CSc1nc(C(=O)OC)c[n-]1 ZINC000432663197 393625768 /nfs/dbraw/zinc/62/57/68/393625768.db2.gz FXTXRZFKQQEXRW-UHFFFAOYSA-N -1 1 276.361 3.051 20 0 CGADMM CC[C@@]1(C)COCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436711675 393717605 /nfs/dbraw/zinc/71/76/05/393717605.db2.gz JUYZIJPIDNIEBM-SFHVURJKSA-N -1 1 299.370 3.187 20 0 CGADMM O=C(/C=C\c1ccc(O)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000492635583 393765894 /nfs/dbraw/zinc/76/58/94/393765894.db2.gz STNJGPYZTRXRNG-BAQGIRSFSA-N -1 1 289.718 3.403 20 0 CGADMM CC(C)[C@H](C)Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445456457 393796566 /nfs/dbraw/zinc/79/65/66/393796566.db2.gz UWPDQHALTCUYEZ-SECBINFHSA-N -1 1 264.300 3.416 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\C3CCC3)n2)cc1F ZINC000445481089 393798884 /nfs/dbraw/zinc/79/88/84/393798884.db2.gz OFNKVBJEEKPFBN-DAXSKMNVSA-N -1 1 260.268 3.395 20 0 CGADMM CC(C)c1cccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000667014604 542836934 /nfs/dbraw/zinc/83/69/34/542836934.db2.gz YJFDNAKQNOKBKR-UHFFFAOYSA-N -1 1 298.268 3.199 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccsc1 ZINC000669918513 543133454 /nfs/dbraw/zinc/13/34/54/543133454.db2.gz IIGWYCWKDWSJIA-QMMMGPOBSA-N -1 1 265.309 3.084 20 0 CGADMM O=c1c2c([n-]n1Cc1cccc(Cl)c1)CCCC2 ZINC000109362804 397653579 /nfs/dbraw/zinc/65/35/79/397653579.db2.gz UARBNBJUOVOANL-GFCCVEGCSA-N -1 1 262.740 3.228 20 0 CGADMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])C1CCCC1 ZINC000676055796 543380097 /nfs/dbraw/zinc/38/00/97/543380097.db2.gz PCEJTBXRZXLBSU-SECBINFHSA-N -1 1 251.301 3.296 20 0 CGADMM CC(C)C1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000678966268 543578073 /nfs/dbraw/zinc/57/80/73/543578073.db2.gz QNOLATPWKFOLSO-UHFFFAOYSA-N -1 1 287.281 3.139 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1COc2ccccc21 ZINC000078642552 165135873 /nfs/dbraw/zinc/13/58/73/165135873.db2.gz FLEJGQDNLGWKAH-LLVKDONJSA-N -1 1 289.718 3.160 20 0 CGADMM Cc1cc(CNC(=O)c2ccc([O-])cc2F)ccc1Cl ZINC000120293428 287180517 /nfs/dbraw/zinc/18/05/17/287180517.db2.gz WADHEVBFPWWREK-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc([O-])cc2F)C[C@@H]1C ZINC000120137576 287178516 /nfs/dbraw/zinc/17/85/16/287178516.db2.gz BDTKZMOYZWOHGR-VWYCJHECSA-N -1 1 265.328 3.086 20 0 CGADMM CSCCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000126000498 287255030 /nfs/dbraw/zinc/25/50/30/287255030.db2.gz ULTPHOJPPMPCHF-UHFFFAOYSA-N -1 1 289.400 3.418 20 0 CGADMM C[C@@H](CNC(=O)c1c([O-])cccc1F)Cc1cccs1 ZINC000126305658 287261447 /nfs/dbraw/zinc/26/14/47/287261447.db2.gz SAUGABFALXLVFC-SNVBAGLBSA-N -1 1 293.363 3.201 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCc2c(C)noc2C)n1 ZINC000126433808 287264869 /nfs/dbraw/zinc/26/48/69/287264869.db2.gz GXNKAGDZBBGQND-UHFFFAOYSA-N -1 1 293.392 3.074 20 0 CGADMM C[C@@H](Cc1ccsc1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000048482158 416453848 /nfs/dbraw/zinc/45/38/48/416453848.db2.gz YTLBMMUDLRSXTC-VIFPVBQESA-N -1 1 295.791 3.468 20 0 CGADMM CCN(C(=O)c1cc2ccccc2cc1[O-])[C@@H]1CCCOC1 ZINC000402700899 416547457 /nfs/dbraw/zinc/54/74/57/416547457.db2.gz OTLRIPCWMINJMR-OAHLLOKOSA-N -1 1 299.370 3.187 20 0 CGADMM [O-]c1cccc(CN2CCCC(F)(F)C2)c1Cl ZINC000404930735 416559243 /nfs/dbraw/zinc/55/92/43/416559243.db2.gz JFWPKNFPZHPQPF-UHFFFAOYSA-N -1 1 261.699 3.277 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccnc(C2CC2)c1 ZINC000680001666 543674575 /nfs/dbraw/zinc/67/45/75/543674575.db2.gz QZZIUHMDGQGNGM-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM Cc1cc(F)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681016250 543756375 /nfs/dbraw/zinc/75/63/75/543756375.db2.gz ZMLNFZSHZRAEKP-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM O=C(NCc1ccccc1Cl)c1ccc([O-])c(F)c1 ZINC000681014244 543756393 /nfs/dbraw/zinc/75/63/93/543756393.db2.gz FWVVYJFRXPQROE-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM CCC1CCC(CNC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681020631 543758015 /nfs/dbraw/zinc/75/80/15/543758015.db2.gz ARZONWVNNOWQQL-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681039302 543759277 /nfs/dbraw/zinc/75/92/77/543759277.db2.gz KLLCXWXQEWKFRS-AWEZNQCLSA-N -1 1 287.334 3.282 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCCc2sccc2C1 ZINC000681043633 543759524 /nfs/dbraw/zinc/75/95/24/543759524.db2.gz PZMWHKIJALKNCK-UHFFFAOYSA-N -1 1 291.347 3.181 20 0 CGADMM Cn1ccc2c1cccc2NC(=O)c1ccc([O-])c(F)c1 ZINC000681039146 543759864 /nfs/dbraw/zinc/75/98/64/543759864.db2.gz MLIKPFUBBHHHMA-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc([O-])c(F)c1 ZINC000681047930 543760618 /nfs/dbraw/zinc/76/06/18/543760618.db2.gz VOWOFFWINOGHOP-UWVGGRQHSA-N -1 1 265.328 3.086 20 0 CGADMM CC(C)(C)[C@H](NC(=O)c1ccc([O-])c(F)c1)C(F)(F)F ZINC000681049699 543760909 /nfs/dbraw/zinc/76/09/09/543760909.db2.gz FKOKXRUHUWCVFB-NSHDSACASA-N -1 1 293.260 3.238 20 0 CGADMM O=C(NCC1(Cc2ccccc2)CC1)c1ccc([O-])c(F)c1 ZINC000681057603 543762322 /nfs/dbraw/zinc/76/23/22/543762322.db2.gz CCDOUJSSUUZIEO-UHFFFAOYSA-N -1 1 299.345 3.284 20 0 CGADMM CCC[C@H](NC(=O)c1c([O-])cccc1F)c1ccccn1 ZINC000681229511 543775477 /nfs/dbraw/zinc/77/54/77/543775477.db2.gz KFVVJFXKIIZMQD-ZDUSSCGKSA-N -1 1 288.322 3.198 20 0 CGADMM Cc1nc(CC(C)C)oc1C(=O)Nc1c([O-])cccc1F ZINC000682809988 543870779 /nfs/dbraw/zinc/87/07/79/543870779.db2.gz HRJDYSRECDXFBB-UHFFFAOYSA-N -1 1 292.310 3.279 20 0 CGADMM CN(Cc1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1 ZINC000683593493 543928044 /nfs/dbraw/zinc/92/80/44/543928044.db2.gz KVUIIMDPXJDJCR-UHFFFAOYSA-N -1 1 299.305 3.218 20 0 CGADMM CC(C)[C@H]1CN(Cc2ccc(C(=O)[O-])cc2F)CCS1 ZINC000652438811 418968279 /nfs/dbraw/zinc/96/82/79/418968279.db2.gz GQJNESITTDYCNM-CQSZACIVSA-N -1 1 297.395 3.097 20 0 CGADMM O=C([O-])[C@@H](c1ccccc1F)N1CCc2sccc2C1 ZINC000652385252 418959374 /nfs/dbraw/zinc/95/93/74/418959374.db2.gz RXWZXTNMKXRKPY-CQSZACIVSA-N -1 1 291.347 3.071 20 0 CGADMM C[C@@H](c1ccco1)N(C)Cc1csc(C(=O)[O-])c1 ZINC000652389394 418959957 /nfs/dbraw/zinc/95/99/57/418959957.db2.gz XWTYBBVFOMISQJ-VIFPVBQESA-N -1 1 265.334 3.232 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3C[C@H]4C[C@H]4C3)n2)c(F)c1 ZINC000664849661 419014011 /nfs/dbraw/zinc/01/40/11/419014011.db2.gz KKZSFVSABLTRLB-BRPSZJMVSA-N -1 1 260.268 3.095 20 0 CGADMM CC(C)(C)C(F)(F)C[N-]c1nc(C2CCOCC2)no1 ZINC000664609419 418986698 /nfs/dbraw/zinc/98/66/98/418986698.db2.gz FAIAQEOWKQSONZ-UHFFFAOYSA-N -1 1 289.326 3.057 20 0 CGADMM CC[C@H]1CCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000665070622 419048918 /nfs/dbraw/zinc/04/89/18/419048918.db2.gz LSALEYXCJXJFCP-ZDUSSCGKSA-N -1 1 284.359 3.345 20 0 CGADMM CCc1ncsc1C(=O)[N-]c1ncccc1SC ZINC000652876736 418997411 /nfs/dbraw/zinc/99/74/11/418997411.db2.gz DFLAQLGTSXUDNQ-UHFFFAOYSA-N -1 1 279.390 3.075 20 0 CGADMM CO[C@@H](CSc1nc(C(F)F)cc(=O)[n-]1)C1CCC1 ZINC000657260383 419238718 /nfs/dbraw/zinc/23/87/18/419238718.db2.gz YGBPZKPRLXDOPF-VIFPVBQESA-N -1 1 290.335 3.027 20 0 CGADMM Cc1cnc(SCCC(C)(C)C2CC2)[n-]c1=O ZINC000657261836 419239443 /nfs/dbraw/zinc/23/94/43/419239443.db2.gz GZMRWVKVNYVSAJ-UHFFFAOYSA-N -1 1 252.383 3.409 20 0 CGADMM C[C@H]1CCC(C)(C)N1C(=O)c1cc(Cl)ccc1[O-] ZINC000662046143 419328720 /nfs/dbraw/zinc/32/87/20/419328720.db2.gz OKGRFMCDHIERRR-VIFPVBQESA-N -1 1 267.756 3.449 20 0 CGADMM CCc1ccc([O-])c(C(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000525754087 262126017 /nfs/dbraw/zinc/12/60/17/262126017.db2.gz UVSHDHHTHIIGPC-UHFFFAOYSA-N -1 1 283.327 3.410 20 0 CGADMM O=C(NCc1ccoc1)c1cc2ccccc2cc1[O-] ZINC000045835697 270038944 /nfs/dbraw/zinc/03/89/44/270038944.db2.gz ZXPAQUFPBYEHRJ-UHFFFAOYSA-N -1 1 267.284 3.068 20 0 CGADMM CC(C)c1cnc(C[N-]c2nnc(C(F)F)o2)s1 ZINC000189293708 270071098 /nfs/dbraw/zinc/07/10/98/270071098.db2.gz UAPBBCSJPXSKFM-UHFFFAOYSA-N -1 1 274.296 3.199 20 0 CGADMM CC[C@H]1CCC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000228854244 270088302 /nfs/dbraw/zinc/08/83/02/270088302.db2.gz MJYXFRFHPQNIDF-QWRGUYRKSA-N -1 1 265.328 3.230 20 0 CGADMM CC(C)(C)CC(C)(C)NC(=O)c1c([O-])cccc1F ZINC000228835919 270087811 /nfs/dbraw/zinc/08/78/11/270087811.db2.gz VSJVVYKSZVPNBO-UHFFFAOYSA-N -1 1 267.344 3.476 20 0 CGADMM CC(C)CC[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000228834374 270087928 /nfs/dbraw/zinc/08/79/28/270087928.db2.gz LCGKNIDJYOEMFK-SNVBAGLBSA-N -1 1 253.317 3.086 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2c([O-])cccc2F)[C@@H](C)C1 ZINC000228849583 270087996 /nfs/dbraw/zinc/08/79/96/270087996.db2.gz QNPWGFWQJNFHFJ-JFGNBEQYSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@H](CCNC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000228843959 270088015 /nfs/dbraw/zinc/08/80/15/270088015.db2.gz WNPFOKPUHWUJJK-GFCCVEGCSA-N -1 1 287.334 3.455 20 0 CGADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000229338469 270088283 /nfs/dbraw/zinc/08/82/83/270088283.db2.gz XCNSSHUSTASXPW-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC(C)(C)[C@H]1CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000230181784 270088687 /nfs/dbraw/zinc/08/86/87/270088687.db2.gz BRVLCMLCUZIUOL-JTQLQIEISA-N -1 1 265.328 3.040 20 0 CGADMM CCc1cccnc1-c1noc(-c2ccc(OC)cc2[O-])n1 ZINC000316786566 270092994 /nfs/dbraw/zinc/09/29/94/270092994.db2.gz KATLTYRMRHAHMC-UHFFFAOYSA-N -1 1 297.314 3.075 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN1CCOC[C@H]1CC(C)C ZINC000520824323 270099309 /nfs/dbraw/zinc/09/93/09/270099309.db2.gz UQWGOFMOMLXHOB-CYBMUJFWSA-N -1 1 297.420 3.002 20 0 CGADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000528169874 270156404 /nfs/dbraw/zinc/15/64/04/270156404.db2.gz VKSWPTKTUUFZBZ-YDEXJTGXSA-N -1 1 292.310 3.108 20 0 CGADMM C[C@H](CN(C)C(=O)c1cncc([O-])c1)C1CCCCC1 ZINC000530038806 270193566 /nfs/dbraw/zinc/19/35/66/270193566.db2.gz MSPPAKNFSXRFJR-GFCCVEGCSA-N -1 1 276.380 3.076 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2cc(F)ccc2[O-])o1 ZINC000531190231 270205082 /nfs/dbraw/zinc/20/50/82/270205082.db2.gz PVDWXPZUHHVXEH-CABZTGNLSA-N -1 1 289.306 3.178 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@]12CCc1ccccc12 ZINC000532267356 270214846 /nfs/dbraw/zinc/21/48/46/270214846.db2.gz ISQWALBXWICQPC-KBXCAEBGSA-N -1 1 297.329 3.374 20 0 CGADMM CCc1ccccc1OCC(=O)Nc1ccc(F)cc1[O-] ZINC000532266374 270214848 /nfs/dbraw/zinc/21/48/48/270214848.db2.gz UGJGYCLMZNEMEN-UHFFFAOYSA-N -1 1 289.306 3.111 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2nc3cccnc3[nH]2)c([O-])c1 ZINC000436791440 275735763 /nfs/dbraw/zinc/73/57/63/275735763.db2.gz RORNPXSEHGWXLY-UHFFFAOYSA-N -1 1 296.330 3.039 20 0 CGADMM C[C@@H]1c2ccccc2CN1C(=O)c1cc(F)ccc1[O-] ZINC000436590707 278108570 /nfs/dbraw/zinc/10/85/70/278108570.db2.gz UDNCWLNIPWAMTH-SNVBAGLBSA-N -1 1 271.291 3.248 20 0 CGADMM C[C@H]1C[C@@H](NC(=O)c2ccc3ccccc3c2[O-])CS1 ZINC000397982869 288037158 /nfs/dbraw/zinc/03/71/58/288037158.db2.gz SDTUQMWNEYWNNY-CMPLNLGQSA-N -1 1 287.384 3.169 20 0 CGADMM CC[C@@H](C)N(CC(=O)[O-])Cc1ncc(Cl)cc1Cl ZINC000455646064 280102316 /nfs/dbraw/zinc/10/23/16/280102316.db2.gz RRWUZIRWACSEJM-MRVPVSSYSA-N -1 1 291.178 3.074 20 0 CGADMM Cc1noc(C(C)C)c1C(=O)Nc1cccc(F)c1[O-] ZINC000530006001 288281580 /nfs/dbraw/zinc/28/15/80/288281580.db2.gz LNNFMRCQIWWFLG-UHFFFAOYSA-N -1 1 278.283 3.203 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN1CCC(F)(F)C[C@H]1C ZINC000530172925 288292714 /nfs/dbraw/zinc/29/27/14/288292714.db2.gz LWIRQMYMYUGJGT-SECBINFHSA-N -1 1 287.306 3.160 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN1CCC(F)(F)C[C@@H]1C ZINC000530174745 288293453 /nfs/dbraw/zinc/29/34/53/288293453.db2.gz ZWOPYYXQWOAHBD-QMMMGPOBSA-N -1 1 289.347 3.374 20 0 CGADMM CCc1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)c([O-])c1 ZINC000436822331 281399757 /nfs/dbraw/zinc/39/97/57/281399757.db2.gz TXBLHVDSPSDJLZ-LBPRGKRZSA-N -1 1 297.354 3.382 20 0 CGADMM Cc1nc(-c2ccc(N[C@H]3CCC3(C)C)nc2)[n-]c(=O)c1C ZINC000343798417 281801560 /nfs/dbraw/zinc/80/15/60/281801560.db2.gz VYWFEAXEMVDENO-ZDUSSCGKSA-N -1 1 298.390 3.462 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cccc2[nH]ccc21 ZINC000536213851 288475866 /nfs/dbraw/zinc/47/58/66/288475866.db2.gz MPJJDPHISMONFV-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccoc1 ZINC000552022509 289150608 /nfs/dbraw/zinc/15/06/08/289150608.db2.gz DTZCLGOPKHSPLF-UHFFFAOYSA-N -1 1 292.143 3.387 20 0 CGADMM C[C@@H](N=c1ccc(N2CCCCC2)n[n-]1)c1ccccc1 ZINC000552219338 289172799 /nfs/dbraw/zinc/17/27/99/289172799.db2.gz OXFXWPHFLYYENT-CQSZACIVSA-N -1 1 282.391 3.062 20 0 CGADMM Cc1ccc([C@@H](NCc2cccc(F)c2F)C(=O)[O-])cc1 ZINC000555614830 289352789 /nfs/dbraw/zinc/35/27/89/289352789.db2.gz WKIQPZBFSIAXFY-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000560022242 289566864 /nfs/dbraw/zinc/56/68/64/289566864.db2.gz VFYJWUYXFKIILZ-RKDXNWHRSA-N -1 1 293.791 3.192 20 0 CGADMM C/C(=C\c1nc(-c2ccc([O-])cc2F)no1)C1CC1 ZINC000562476673 289704376 /nfs/dbraw/zinc/70/43/76/289704376.db2.gz LWCSSYNWXDMCIR-SOFGYWHQSA-N -1 1 260.268 3.395 20 0 CGADMM Cc1nc(CNCc2c(C)cccc2C)sc1C(=O)[O-] ZINC000426682676 293274720 /nfs/dbraw/zinc/27/47/20/293274720.db2.gz KSTXGSVNIHGECE-UHFFFAOYSA-N -1 1 290.388 3.056 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CC[C@H]3CCC[C@@H]3C2)s[n-]1 ZINC000337852130 294344008 /nfs/dbraw/zinc/34/40/08/294344008.db2.gz GELFLZRKVQAIGN-DDHJBXDOSA-N -1 1 281.425 3.048 20 0 CGADMM CC(C)C1(C)CCN(Cc2nc(C(=O)[O-])cs2)CC1 ZINC000580206200 327732509 /nfs/dbraw/zinc/73/25/09/327732509.db2.gz VJPUOYDAYHDLMV-UHFFFAOYSA-N -1 1 282.409 3.099 20 0 CGADMM COc1cc(C(=O)N2CCC3(CCC3)C2)cc(Cl)c1[O-] ZINC000153980879 321731956 /nfs/dbraw/zinc/73/19/56/321731956.db2.gz WQBFTRSGOZMFKB-UHFFFAOYSA-N -1 1 295.766 3.070 20 0 CGADMM CCC[C@@H](C)S(=O)(=O)[N-]c1cc(C)cc2cccnc21 ZINC000565056006 322057780 /nfs/dbraw/zinc/05/77/80/322057780.db2.gz OSILVBPMLOYAHS-GFCCVEGCSA-N -1 1 292.404 3.474 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])co1)Cc1ccc(OC)cc1 ZINC000567242246 322155985 /nfs/dbraw/zinc/15/59/85/322155985.db2.gz XMVFDPCYXOUPFR-UHFFFAOYSA-N -1 1 289.331 3.009 20 0 CGADMM O=C([O-])c1ccoc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000568061561 322190509 /nfs/dbraw/zinc/19/05/09/322190509.db2.gz KFDLFPVYBWZKQP-CQSZACIVSA-N -1 1 289.306 3.454 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\[C@H]3CCOC3)n2)c(Cl)c1 ZINC000569197578 322239082 /nfs/dbraw/zinc/23/90/82/322239082.db2.gz QLKDVCBQOHHDMX-LVXRCVOFSA-N -1 1 292.722 3.145 20 0 CGADMM O=C([O-])c1occc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000569934692 322261170 /nfs/dbraw/zinc/26/11/70/322261170.db2.gz LZMWCNWTDLCHSL-CQSZACIVSA-N -1 1 289.306 3.454 20 0 CGADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCc2ccsc2C1 ZINC000570729160 322280911 /nfs/dbraw/zinc/28/09/11/322280911.db2.gz DJCAQILIJZUAGQ-VIFPVBQESA-N -1 1 277.345 3.159 20 0 CGADMM C[C@H]1CCN(Cc2cc3ccccc3o2)[C@@H](C(=O)[O-])C1 ZINC000570933948 322285854 /nfs/dbraw/zinc/28/58/54/322285854.db2.gz SGRPNDROBDXHSF-SMDDNHRTSA-N -1 1 273.332 3.118 20 0 CGADMM Cc1oc(CN2CCc3ccccc3[C@H]2C)cc1C(=O)[O-] ZINC000572653184 322348506 /nfs/dbraw/zinc/34/85/06/322348506.db2.gz GKKIDAOGLCTWLT-LLVKDONJSA-N -1 1 285.343 3.406 20 0 CGADMM Cc1oc(CN2Cc3ccccc3C[C@H]2C)cc1C(=O)[O-] ZINC000572889424 322360183 /nfs/dbraw/zinc/36/01/83/322360183.db2.gz NFBQMBDFIWEELG-LLVKDONJSA-N -1 1 285.343 3.233 20 0 CGADMM C[C@@H](c1cccs1)N(C)C(=O)c1ccc([O-])cc1F ZINC000181149491 335752393 /nfs/dbraw/zinc/75/23/93/335752393.db2.gz LQOWVERXGKDXMA-VIFPVBQESA-N -1 1 279.336 3.426 20 0 CGADMM Cc1ccc(CC(=O)Nc2ccc([O-])c(Cl)c2)cc1O ZINC000182877064 335848647 /nfs/dbraw/zinc/84/86/47/335848647.db2.gz VJQBFVGQZKSFLE-UHFFFAOYSA-N -1 1 291.734 3.241 20 0 CGADMM CCOc1ccccc1CSc1nc(CC)cc(=O)[n-]1 ZINC000195057982 336044039 /nfs/dbraw/zinc/04/40/39/336044039.db2.gz NOWPCDLHZBCOSH-UHFFFAOYSA-N -1 1 290.388 3.023 20 0 CGADMM CC[C@H](N=c1nc([C@@H](C)OC)[n-]s1)C1CCCC1 ZINC000382812108 336097410 /nfs/dbraw/zinc/09/74/10/336097410.db2.gz QFFGIHMZYOBNMQ-KOLCDFICSA-N -1 1 269.414 3.048 20 0 CGADMM Cc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1F ZINC000436763132 534049705 /nfs/dbraw/zinc/04/97/05/534049705.db2.gz FEFUQEHOESNEME-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)CC2=CCCCC2)c1 ZINC000436503171 534230612 /nfs/dbraw/zinc/23/06/12/534230612.db2.gz GUOCAHOEOVRNCR-UHFFFAOYSA-N -1 1 289.331 3.008 20 0 CGADMM Cc1ccc2c(c1)CCN(C(=O)c1ccc([O-])cc1F)C2 ZINC000436993858 534410041 /nfs/dbraw/zinc/41/00/41/534410041.db2.gz IAPVDZZSHDCFRP-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CC(C)(C)C1 ZINC000336176328 534475019 /nfs/dbraw/zinc/47/50/19/534475019.db2.gz ANEZJFAKJRZQAO-JTQLQIEISA-N -1 1 291.420 3.265 20 0 CGADMM CC1(C)CN(C(=O)c2cc(Cl)ccc2[O-])CCS1 ZINC000081853380 520449736 /nfs/dbraw/zinc/44/97/36/520449736.db2.gz FNXADYSSRLTJSO-UHFFFAOYSA-N -1 1 285.796 3.013 20 0 CGADMM O=C(N[C@@H]1CC[C@@H](F)C1)c1cc2ccccc2cc1[O-] ZINC000436742898 534759603 /nfs/dbraw/zinc/75/96/03/534759603.db2.gz GDXAREFLFZCHPZ-CHWSQXEVSA-N -1 1 273.307 3.166 20 0 CGADMM O=C(N[C@@H]1CC[C@H](F)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436744589 534767680 /nfs/dbraw/zinc/76/76/80/534767680.db2.gz NQURULMYXBNJES-DTWKUNHWSA-N -1 1 291.244 3.031 20 0 CGADMM O=C(NC1(Cc2ccccc2)CCC1)c1c([O-])cccc1F ZINC000436883998 534785063 /nfs/dbraw/zinc/78/50/63/534785063.db2.gz ADUQLKAFEGBJCM-UHFFFAOYSA-N -1 1 299.345 3.427 20 0 CGADMM C[C@@H](N[C@@H](C)C(=O)[O-])c1c(Cl)ccc(F)c1Cl ZINC000049354520 525591826 /nfs/dbraw/zinc/59/18/26/525591826.db2.gz KXJFRDAXKPPBKP-RITPCOANSA-N -1 1 280.126 3.256 20 0 CGADMM C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@H](C(=O)[O-])C1 ZINC000086728836 526048342 /nfs/dbraw/zinc/04/83/42/526048342.db2.gz OWFSWHKJCXGAOK-ONGXEEELSA-N -1 1 285.746 3.337 20 0 CGADMM CC(C)C[C@H](C)n1nccc1NC(=O)c1ccccc1[O-] ZINC000436821698 528491072 /nfs/dbraw/zinc/49/10/72/528491072.db2.gz XKMWWVXVIOBNIN-LBPRGKRZSA-N -1 1 287.363 3.448 20 0 CGADMM CCC(CC)[C@H](CCNC(=O)c1c([O-])cccc1F)OC ZINC000436991238 528850444 /nfs/dbraw/zinc/85/04/44/528850444.db2.gz URTHBKSYOKSUAC-AWEZNQCLSA-N -1 1 297.370 3.102 20 0 CGADMM CC[C@H](C)n1ncc(NC(=O)c2cc(F)ccc2[O-])c1C ZINC000436581935 529293892 /nfs/dbraw/zinc/29/38/92/529293892.db2.gz HCBLMRDUALYJJR-VIFPVBQESA-N -1 1 291.326 3.260 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cc(C(C)(C)C)on2)n1 ZINC000450909285 536155456 /nfs/dbraw/zinc/15/54/56/536155456.db2.gz NXXFYNXSJQEUTC-UHFFFAOYSA-N -1 1 293.392 3.322 20 0 CGADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(F)(F)F ZINC000188140159 572353900 /nfs/dbraw/zinc/35/39/00/572353900.db2.gz CIUXEDLFDIBOIH-RXMQYKEDSA-N -1 1 264.272 3.103 20 0 CGADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1C[C@H](C)CCC[C@@H]1C ZINC000738287127 572369418 /nfs/dbraw/zinc/36/94/18/572369418.db2.gz AIUUMJGGWQUSPP-ZJUUUORDSA-N -1 1 299.802 3.011 20 0 CGADMM CCCC(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000738651711 572385055 /nfs/dbraw/zinc/38/50/55/572385055.db2.gz QPJLBZMHGBHLKI-UHFFFAOYSA-N -1 1 291.130 3.225 20 0 CGADMM O=C(N[C@H]1CCCC1(F)F)c1ccc2ccccc2c1[O-] ZINC000398287206 572499467 /nfs/dbraw/zinc/49/94/67/572499467.db2.gz ZFYSBVXTSKZXMN-ZDUSSCGKSA-N -1 1 291.297 3.463 20 0 CGADMM Cc1ccc(/C=C/S(=O)(=O)[N-]c2cccc(C)n2)cc1 ZINC000734975442 572693492 /nfs/dbraw/zinc/69/34/92/572693492.db2.gz FRUDOOVULUEGDE-ZHACJKMWSA-N -1 1 288.372 3.111 20 0 CGADMM Cc1oc(CN(C)Cc2ccccc2C)cc1C(=O)[O-] ZINC000048872507 572886800 /nfs/dbraw/zinc/88/68/00/572886800.db2.gz CTLQRNWEMVCVKQ-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM CN(Cc1ccccc1F)Cc1ccccc1C(=O)[O-] ZINC000048874066 600555829 /nfs/dbraw/zinc/55/58/29/600555829.db2.gz VIKDTWRPQJWYLC-UHFFFAOYSA-N -1 1 273.307 3.156 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CSc1nc(C2CC2)n[nH]1 ZINC000713457839 601621792 /nfs/dbraw/zinc/62/17/92/601621792.db2.gz UKXYHOPQQGKRLK-UHFFFAOYSA-N -1 1 295.389 3.043 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CSc1n[nH]c(C2CC2)n1 ZINC000713457839 601621794 /nfs/dbraw/zinc/62/17/94/601621794.db2.gz UKXYHOPQQGKRLK-UHFFFAOYSA-N -1 1 295.389 3.043 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])s1)Cc1ccc(F)cc1 ZINC000109601698 601936162 /nfs/dbraw/zinc/93/61/62/601936162.db2.gz ANPCPGWPBINLNJ-UHFFFAOYSA-N -1 1 279.336 3.217 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])sc1C)Cc1ccccn1 ZINC000122777420 601963273 /nfs/dbraw/zinc/96/32/73/601963273.db2.gz GTHXNDZZSOEZMN-UHFFFAOYSA-N -1 1 290.388 3.172 20 0 CGADMM Cc1nccc(N(C)Cc2ccc(C(=O)[O-])cc2)c1Cl ZINC000833009376 602293635 /nfs/dbraw/zinc/29/36/35/602293635.db2.gz KBGZSHYOUQOKEP-UHFFFAOYSA-N -1 1 290.750 3.378 20 0 CGADMM O=C([O-])Nc1ccc(CNCc2ccc(Cl)s2)cn1 ZINC000832842521 603537221 /nfs/dbraw/zinc/53/72/21/603537221.db2.gz ZTKHSLQZPMNQEW-UHFFFAOYSA-N -1 1 297.767 3.176 20 0 CGADMM Cc1cc([C@H](C)Sc2nc(C3CC3)n[nH]2)oc1C(=O)[O-] ZINC000832876022 604711027 /nfs/dbraw/zinc/71/10/27/604711027.db2.gz VOKNJDRRDLGOJQ-ZETCQYMHSA-N -1 1 293.348 3.135 20 0 CGADMM Cc1cc([C@H](C)Sc2n[nH]c(C3CC3)n2)oc1C(=O)[O-] ZINC000832876022 604711031 /nfs/dbraw/zinc/71/10/31/604711031.db2.gz VOKNJDRRDLGOJQ-ZETCQYMHSA-N -1 1 293.348 3.135 20 0 CGADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(C/C(Cl)=C/Cl)C1 ZINC000135040124 604941422 /nfs/dbraw/zinc/94/14/22/604941422.db2.gz JIJSZRDQEWSSNQ-WPVMNKCKSA-N -1 1 280.195 3.128 20 0 CGADMM CC(C)(C)C[C@@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)[O-] ZINC000833430393 605149959 /nfs/dbraw/zinc/14/99/59/605149959.db2.gz WJSKTEHQXKVVGN-MRVPVSSYSA-N -1 1 285.413 3.084 20 0 CGADMM CC(C)(NCc1ccc(C(=O)[O-])o1)c1ccc(F)c(F)c1 ZINC000833461200 605170291 /nfs/dbraw/zinc/17/02/91/605170291.db2.gz SHIAROCAIONIKZ-UHFFFAOYSA-N -1 1 295.285 3.281 20 0 CGADMM Cc1nc([C@H](C)NCC2(NC(=O)[O-])CCCCC2)cs1 ZINC000830709562 605480319 /nfs/dbraw/zinc/48/03/19/605480319.db2.gz MENMZZZOMWOYKS-JTQLQIEISA-N -1 1 297.424 3.073 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CN2CCCCC[C@H]2C(=O)[O-])o1 ZINC000252172193 605928651 /nfs/dbraw/zinc/92/86/51/605928651.db2.gz RJELWSDGZMMOOW-BNOWGMLFSA-N -1 1 277.364 3.232 20 0 CGADMM CC(C)Cc1ncc(CN2CCCCC[C@H]2C(=O)[O-])s1 ZINC000833493002 605929207 /nfs/dbraw/zinc/92/92/07/605929207.db2.gz IGDHNFCAWXHMPN-ZDUSSCGKSA-N -1 1 296.436 3.171 20 0 CGADMM CC(C)[C@H](C)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820020476 606469788 /nfs/dbraw/zinc/46/97/88/606469788.db2.gz HQKPMIOXYCYVRE-ZETCQYMHSA-N -1 1 283.788 3.052 20 0 CGADMM CC(C)[C@H](C)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820020476 606469789 /nfs/dbraw/zinc/46/97/89/606469789.db2.gz HQKPMIOXYCYVRE-ZETCQYMHSA-N -1 1 283.788 3.052 20 0 CGADMM C[C@H]1CCCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000899937038 620738468 /nfs/dbraw/zinc/73/84/68/620738468.db2.gz MBRFOSRIUVNIAV-JTQLQIEISA-N -1 1 288.322 3.094 20 0 CGADMM Cc1nc(CN[C@H](CC(=O)[O-])c2cccs2)sc1C ZINC000900032534 620748391 /nfs/dbraw/zinc/74/83/91/620748391.db2.gz IWLCWNOVHRFTNG-SNVBAGLBSA-N -1 1 296.417 3.127 20 0 CGADMM CN(C)c1ccc(NCc2c([O-])ccc(Cl)c2F)nc1 ZINC000191361370 618772743 /nfs/dbraw/zinc/77/27/43/618772743.db2.gz XEHLTGYIKJMJGV-UHFFFAOYSA-N -1 1 295.745 3.258 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc2cc[nH]c2c1 ZINC000194583902 619141375 /nfs/dbraw/zinc/14/13/75/619141375.db2.gz XNWRAPGKWHILCQ-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM C[C@H]1CCC[C@H](C)N1NC(=O)c1cc2ccccc2cc1[O-] ZINC000318131017 619259672 /nfs/dbraw/zinc/25/96/72/619259672.db2.gz SPILDGMFYOLPQY-STQMWFEESA-N -1 1 298.386 3.453 20 0 CGADMM Cc1ccccc1Cn1[n-]c2c(c1=O)CCCCC2 ZINC000107893126 619288501 /nfs/dbraw/zinc/28/85/01/619288501.db2.gz WGNRXVODHFIPRT-AWEZNQCLSA-N -1 1 256.349 3.274 20 0 CGADMM C[C@@H]1[C@H](C)CN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@H]1C ZINC000897989566 620462921 /nfs/dbraw/zinc/46/29/21/620462921.db2.gz OBDYTQRNGUEEAM-UTUOFQBUSA-N -1 1 299.370 3.368 20 0 CGADMM CC(C)(C)c1coc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000898301121 620507436 /nfs/dbraw/zinc/50/74/36/620507436.db2.gz TVCMMONWIXATRK-UHFFFAOYSA-N -1 1 296.273 3.208 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000898442630 620588869 /nfs/dbraw/zinc/58/88/69/620588869.db2.gz VFCMXSGTUIVTNN-LRDDRELGSA-N -1 1 297.354 3.266 20 0 CGADMM O=C(Nc1ccc(C2CC2)cc1)c1cnc(C2CC2)[n-]c1=O ZINC000901305953 620852022 /nfs/dbraw/zinc/85/20/22/620852022.db2.gz SHRMCQJQIUMIMC-UHFFFAOYSA-N -1 1 295.342 3.189 20 0 CGADMM CCc1cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)ccc1C ZINC000901355451 620862100 /nfs/dbraw/zinc/86/21/00/620862100.db2.gz RJBUWPRHVIPTLJ-UHFFFAOYSA-N -1 1 297.358 3.183 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cc(C)cc(C)n2)n1 ZINC000901536410 620918224 /nfs/dbraw/zinc/91/82/24/620918224.db2.gz JFPFWBJRFSWGRZ-UHFFFAOYSA-N -1 1 275.377 3.049 20 0 CGADMM CCC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901618033 620954745 /nfs/dbraw/zinc/95/47/45/620954745.db2.gz BEEASLVWVTTZBB-SNVBAGLBSA-N -1 1 288.372 3.309 20 0 CGADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1ccoc1 ZINC000902045639 621115940 /nfs/dbraw/zinc/11/59/40/621115940.db2.gz FFNUGEUNUJKMEZ-GJZGRUSLSA-N -1 1 271.316 3.070 20 0 CGADMM Cc1cc(C)cc([C@@H](C)NCc2cccc(C(=O)[O-])n2)c1 ZINC000902236781 621206595 /nfs/dbraw/zinc/20/65/95/621206595.db2.gz XUEYVHAGULMNGC-CYBMUJFWSA-N -1 1 284.359 3.247 20 0 CGADMM CC(F)(F)CCCSCCC[N-]C(=O)C(F)(F)F ZINC000902573116 621377641 /nfs/dbraw/zinc/37/76/41/621377641.db2.gz SIGPDDNIQSOUQE-UHFFFAOYSA-N -1 1 293.301 3.224 20 0 CGADMM O=C([O-])c1ccc(Cl)c(CN2CCC[C@@H](CF)C2)c1 ZINC000903607601 621771383 /nfs/dbraw/zinc/77/13/83/621771383.db2.gz LOSAELZDCSXUFU-JTQLQIEISA-N -1 1 285.746 3.220 20 0 CGADMM [O-]c1ccc(-c2noc(C3(C4CC4)CCC3)n2)cc1F ZINC000903670315 621784331 /nfs/dbraw/zinc/78/43/31/621784331.db2.gz YDIKLZCMSXIRHF-UHFFFAOYSA-N -1 1 274.295 3.413 20 0 CGADMM O=C([O-])c1cncc(CN2CCC[C@@H]2c2cccs2)c1 ZINC000903885490 621826630 /nfs/dbraw/zinc/82/66/30/621826630.db2.gz OBKJGSRIZZJYKH-CYBMUJFWSA-N -1 1 288.372 3.178 20 0 CGADMM [O-]c1ccc(Cc2nc(-c3ccncc3)no2)cc1Cl ZINC000904577814 621933469 /nfs/dbraw/zinc/93/34/69/621933469.db2.gz ZNFNUPFEOBQGDY-UHFFFAOYSA-N -1 1 287.706 3.081 20 0 CGADMM CCO[C@H](CC(=O)Nc1cc([O-])c(F)cc1F)C(C)C ZINC000909984300 622441178 /nfs/dbraw/zinc/44/11/78/622441178.db2.gz LPLWMFVYQNVGIQ-CYBMUJFWSA-N -1 1 287.306 3.060 20 0 CGADMM COCCC1(C(=O)Nc2cc([O-])c(F)cc2F)CCCC1 ZINC000909984772 622441229 /nfs/dbraw/zinc/44/12/29/622441229.db2.gz SVXIFLOZQAZGCE-UHFFFAOYSA-N -1 1 299.317 3.206 20 0 CGADMM CC(C)C(C)(C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985059 622441770 /nfs/dbraw/zinc/44/17/70/622441770.db2.gz DZXZIXSQDQAANJ-UHFFFAOYSA-N -1 1 257.280 3.291 20 0 CGADMM O=C(CCCC1CCOCC1)Nc1cc([O-])c(F)cc1F ZINC000909986451 622442515 /nfs/dbraw/zinc/44/25/15/622442515.db2.gz LEYGTEUDBFETDA-UHFFFAOYSA-N -1 1 299.317 3.206 20 0 CGADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909980687 622442719 /nfs/dbraw/zinc/44/27/19/622442719.db2.gz CWPLEXRGHHVFIC-YMTOWFKASA-N -1 1 299.317 3.204 20 0 CGADMM O=C(CCCC1CC1)Nc1cc([O-])c(F)cc1F ZINC000909987031 622443327 /nfs/dbraw/zinc/44/33/27/622443327.db2.gz GCFZMVWCUCBXMR-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM CC(C)(C)OCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909987274 622443872 /nfs/dbraw/zinc/44/38/72/622443872.db2.gz OERRVTBAWLIMOL-UHFFFAOYSA-N -1 1 287.306 3.204 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CC12CCCC2 ZINC000909983164 622444140 /nfs/dbraw/zinc/44/41/40/622444140.db2.gz RGIFXEYGILDOBO-MRVPVSSYSA-N -1 1 267.275 3.189 20 0 CGADMM CC1(C)CO[C@H](CCC(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910991970 622514269 /nfs/dbraw/zinc/51/42/69/622514269.db2.gz VEXRFNAFMHDCQJ-SNVBAGLBSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(C[C@@H]1C[C@H]1C1CC1)Nc1cc(F)cc(F)c1[O-] ZINC000910990026 622514365 /nfs/dbraw/zinc/51/43/65/622514365.db2.gz GVPHWZOOWULWJI-WPRPVWTQSA-N -1 1 267.275 3.045 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC=CC12CCCC2 ZINC000913199599 622740538 /nfs/dbraw/zinc/74/05/38/622740538.db2.gz KKVPFFNJXLVTCP-UHFFFAOYSA-N -1 1 277.751 3.370 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000057307851 622869304 /nfs/dbraw/zinc/86/93/04/622869304.db2.gz KHSAULYWKOQQGE-ZJUUUORDSA-N -1 1 267.756 3.354 20 0 CGADMM C[C@@H](C#N)Oc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000057737174 622882795 /nfs/dbraw/zinc/88/27/95/622882795.db2.gz XZCADFYZHPXEQA-OITNDJBGSA-N -1 1 290.369 3.307 20 0 CGADMM CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1OC ZINC000226605298 622985663 /nfs/dbraw/zinc/98/56/63/622985663.db2.gz RWZPWVRZXXQOPL-SECBINFHSA-N -1 1 293.260 3.163 20 0 CGADMM O=C1[N-]C(=S)SC1=Cc1cccc(F)c1F ZINC000078560808 623007716 /nfs/dbraw/zinc/00/77/16/623007716.db2.gz WMXHLSFCSBHDNT-DAXSKMNVSA-N -1 1 257.286 3.294 20 0 CGADMM Cc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2F)s1 ZINC000228840266 623080613 /nfs/dbraw/zinc/08/06/13/623080613.db2.gz FVUOFGOCFVRPEZ-SECBINFHSA-N -1 1 279.336 3.392 20 0 CGADMM Cc1cc(C)c(CC(=O)[N-]OCCCC(F)(F)F)s1 ZINC000913727598 623569466 /nfs/dbraw/zinc/56/94/66/623569466.db2.gz NGHNABDNPXXJGZ-UHFFFAOYSA-N -1 1 295.326 3.298 20 0 CGADMM CCC[C@H](C)CCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000914364582 623714961 /nfs/dbraw/zinc/71/49/61/623714961.db2.gz BHTCETWZEUQEFV-NSHDSACASA-N -1 1 293.411 3.170 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1[N-]C(=O)C(F)(F)c1ccccc1 ZINC000916032093 624106191 /nfs/dbraw/zinc/10/61/91/624106191.db2.gz ONBDKPZRZFBRJH-TXEJJXNPSA-N -1 1 282.334 3.073 20 0 CGADMM Cc1ccc(-c2cc(C(=O)Oc3ccc(F)cc3)[nH]n2)o1 ZINC000916852709 624220231 /nfs/dbraw/zinc/22/02/31/624220231.db2.gz UTARUQTWYBRNJN-UHFFFAOYSA-N -1 1 286.262 3.336 20 0 CGADMM Cc1cnc(SCC[C@@H]2C[C@H]2C2CC2)[n-]c1=O ZINC000917777221 624310285 /nfs/dbraw/zinc/31/02/85/624310285.db2.gz AFDDSIIAICKWST-MNOVXSKESA-N -1 1 250.367 3.019 20 0 CGADMM O=C1[N-]C(=S)SC1=CC1=Cc2ccccc2OC1 ZINC000033673146 624386730 /nfs/dbraw/zinc/38/67/30/624386730.db2.gz SOCCRKZXYHAIPZ-IZZDOVSWSA-N -1 1 275.354 3.335 20 0 CGADMM CCc1ccc(C(=O)N2CC[C@@H](O)c3ccccc32)c([O-])c1 ZINC000889265412 625844910 /nfs/dbraw/zinc/84/49/10/625844910.db2.gz ARDPLSIYOFDGTD-MRXNPFEDSA-N -1 1 297.354 3.039 20 0 CGADMM O=C(NCc1ccnc2ccccc12)c1cc(F)ccc1[O-] ZINC000751069809 626375938 /nfs/dbraw/zinc/37/59/38/626375938.db2.gz AHQUGKICZSXHGO-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM CC[C@H](CSc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000752528443 626431363 /nfs/dbraw/zinc/43/13/63/626431363.db2.gz XJWKLBHMDAWFEW-SECBINFHSA-N -1 1 277.311 3.236 20 0 CGADMM COCCCO[N-]C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000805040031 626450701 /nfs/dbraw/zinc/45/07/01/626450701.db2.gz FAWHZOBFGJURNQ-AWEZNQCLSA-N -1 1 293.407 3.073 20 0 CGADMM O=C([O-])[C@@H](NC/C=C/c1ccccc1)c1cccs1 ZINC000756336835 626692930 /nfs/dbraw/zinc/69/29/30/626692930.db2.gz APJSAFGOOVNSJH-PXYYCUNGSA-N -1 1 273.357 3.177 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC2(CCC2)C1 ZINC000759099645 626873904 /nfs/dbraw/zinc/87/39/04/626873904.db2.gz QZPRXSWPRRFUOX-UHFFFAOYSA-N -1 1 265.740 3.062 20 0 CGADMM C[C@@H](C(=O)[N-]OCC(F)F)c1ccccc1C(F)(F)F ZINC000759340427 626889277 /nfs/dbraw/zinc/88/92/77/626889277.db2.gz XKQUYYHYNFGFNR-SSDOTTSWSA-N -1 1 297.223 3.122 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2nc3cc[nH]cc-3n2)c([O-])c1 ZINC000760952155 627005065 /nfs/dbraw/zinc/00/50/65/627005065.db2.gz WZFMEEWVLBQFCU-UHFFFAOYSA-N -1 1 296.330 3.039 20 0 CGADMM CCC(=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)CC ZINC000762793067 627124353 /nfs/dbraw/zinc/12/43/53/627124353.db2.gz INVUJYORCSJABT-UHFFFAOYSA-N -1 1 285.347 3.467 20 0 CGADMM CCc1ccc([C@H](C)CC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766768397 627359526 /nfs/dbraw/zinc/35/95/26/627359526.db2.gz LSZGAUGVZIHXJB-SNVBAGLBSA-N -1 1 289.297 3.353 20 0 CGADMM Cc1ccc(CCCCC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766773590 627360036 /nfs/dbraw/zinc/36/00/36/627360036.db2.gz HFWAINVLLPBEHQ-UHFFFAOYSA-N -1 1 289.297 3.318 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC2(CCCC2)CC1 ZINC000768178178 627465734 /nfs/dbraw/zinc/46/57/34/627465734.db2.gz VUJQWTPDYIYPSP-UHFFFAOYSA-N -1 1 277.339 3.328 20 0 CGADMM CC(C)CC1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000768260196 627471467 /nfs/dbraw/zinc/47/14/67/627471467.db2.gz XZOYLJVLLROWSU-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM C[C@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000769602559 627568787 /nfs/dbraw/zinc/56/87/87/627568787.db2.gz NXIQCCMMTFESDS-VIFPVBQESA-N -1 1 253.729 3.060 20 0 CGADMM CC[C@@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000769758314 627576496 /nfs/dbraw/zinc/57/64/96/627576496.db2.gz BMAOWKUNXZHUTG-SECBINFHSA-N -1 1 253.729 3.060 20 0 CGADMM CSC[C@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000770032412 627599112 /nfs/dbraw/zinc/59/91/12/627599112.db2.gz MOTLSRGZXHTERF-SECBINFHSA-N -1 1 285.796 3.013 20 0 CGADMM O=C(Nc1ccc2c(n1)CCCC2)c1ccc([O-])c(F)c1 ZINC000874671765 634588535 /nfs/dbraw/zinc/58/85/35/634588535.db2.gz PVAXRZOATTWTQJ-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCc2ncccc21 ZINC000770673417 627636043 /nfs/dbraw/zinc/63/60/43/627636043.db2.gz UUFORJPOTYKOEL-UHFFFAOYSA-N -1 1 290.322 3.143 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2ncccc21 ZINC000770671190 627636204 /nfs/dbraw/zinc/63/62/04/627636204.db2.gz LSADADNQMXZENT-UHFFFAOYSA-N -1 1 290.322 3.143 20 0 CGADMM COc1ccc(/C=C\C(=O)Nc2c([O-])cccc2F)cc1 ZINC000770864582 627648630 /nfs/dbraw/zinc/64/86/30/627648630.db2.gz YUPONCGANWQOFM-YFHOEESVSA-N -1 1 287.290 3.192 20 0 CGADMM CCC(=O)[C@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000773537886 627896162 /nfs/dbraw/zinc/89/61/62/627896162.db2.gz JPBOYLYYYPSDEB-LLVKDONJSA-N -1 1 295.766 3.019 20 0 CGADMM O=C(OCc1cc(F)ccc1F)c1ccc([O-])cc1F ZINC000773570238 627898182 /nfs/dbraw/zinc/89/81/82/627898182.db2.gz NMDZQKSLUUWFSF-UHFFFAOYSA-N -1 1 282.217 3.167 20 0 CGADMM Cc1cc(C)cc(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000789930310 629174858 /nfs/dbraw/zinc/17/48/58/629174858.db2.gz TWSVAMPQBOCMIQ-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM C[C@H]1CC/C(=C/C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000790047764 629179972 /nfs/dbraw/zinc/17/99/72/629179972.db2.gz ORXVSZCJUSUQOM-FZGDARCMSA-N -1 1 266.728 3.126 20 0 CGADMM C[C@H]1CC[C@H](CC(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000790051207 629180516 /nfs/dbraw/zinc/18/05/16/629180516.db2.gz NKZCFGAAAQOVDJ-IUCAKERBSA-N -1 1 268.744 3.205 20 0 CGADMM CC[C@@H](C)CC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000791497468 629282139 /nfs/dbraw/zinc/28/21/39/629282139.db2.gz LFLPYSJGOUCFOX-LLVKDONJSA-N -1 1 278.348 3.117 20 0 CGADMM COCCCC[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000792557953 629366694 /nfs/dbraw/zinc/36/66/94/629366694.db2.gz WOFAOYPDPIBZRN-GFCCVEGCSA-N -1 1 289.297 3.223 20 0 CGADMM CCCC[C@](C)(F)C(=O)Nc1cccc(F)c1[O-] ZINC000863007944 629459772 /nfs/dbraw/zinc/45/97/72/629459772.db2.gz BKZMKDUTBMZFPE-ZDUSSCGKSA-N -1 1 257.280 3.388 20 0 CGADMM Cc1cc(C)c(C(=O)Nc2cccc([O-])c2F)cc1C=O ZINC000793743528 629499952 /nfs/dbraw/zinc/49/99/52/629499952.db2.gz LIDHNBFQUMGDTF-UHFFFAOYSA-N -1 1 287.290 3.213 20 0 CGADMM CC/C(C)=C(/C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863476776 629584777 /nfs/dbraw/zinc/58/47/77/629584777.db2.gz NTECECYJVJEOMB-QXMHVHEDSA-N -1 1 285.347 3.263 20 0 CGADMM COc1ccccc1CNCc1cccc(CCC(=O)[O-])c1 ZINC000864517511 629850829 /nfs/dbraw/zinc/85/08/29/629850829.db2.gz HKBQQXMQMVYOFJ-UHFFFAOYSA-N -1 1 299.370 3.002 20 0 CGADMM CSCCO[N-]C(=O)[C@H](C)c1cccc(CC(C)C)c1 ZINC000803236470 630455980 /nfs/dbraw/zinc/45/59/80/630455980.db2.gz KJDZTJLYMJWWHC-CYBMUJFWSA-N -1 1 295.448 3.399 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@]12C[C@H]1CCCC2 ZINC000876397908 634826826 /nfs/dbraw/zinc/82/68/26/634826826.db2.gz AJSLDQSRBOKMRH-IAQYHMDHSA-N -1 1 294.782 3.178 20 0 CGADMM Cc1ccc(N(CC(C)C)C(=O)c2cncc([O-])c2)cc1 ZINC000837070337 634850195 /nfs/dbraw/zinc/85/01/95/634850195.db2.gz ZRMRUUABFWHSPE-UHFFFAOYSA-N -1 1 284.359 3.398 20 0 CGADMM CC(C)(C)C[C@H]([N-]C(=O)C(C)(F)F)C(F)(F)F ZINC000815984230 631850128 /nfs/dbraw/zinc/85/01/28/631850128.db2.gz HGWASHPGISSROJ-LURJTMIESA-N -1 1 261.234 3.125 20 0 CGADMM C[C@@H](C(=O)[N-]OCCC1CC1)c1cccc(Cl)c1 ZINC000817437864 632156877 /nfs/dbraw/zinc/15/68/77/632156877.db2.gz UCJWQECFEXAQBM-SNVBAGLBSA-N -1 1 267.756 3.291 20 0 CGADMM COc1cnc(C=Cc2ccc(Cl)c(F)c2)[n-]c1=O ZINC000821007379 632711118 /nfs/dbraw/zinc/71/11/18/632711118.db2.gz HRYFNQQAUOUGHA-HYXAFXHYSA-N -1 1 280.686 3.154 20 0 CGADMM CC(F)(F)C(=O)[N-]Cc1c(Cl)cccc1OC(F)F ZINC000866143184 633010578 /nfs/dbraw/zinc/01/05/78/633010578.db2.gz HDRBVIDDEMVIRN-UHFFFAOYSA-N -1 1 299.651 3.213 20 0 CGADMM CC(C)CCc1cc(=O)n(-c2ccc3c(cc[nH]c3=O)c2)[n-]1 ZINC000871955249 633925700 /nfs/dbraw/zinc/92/57/00/633925700.db2.gz LOEQHICQOARXJL-UHFFFAOYSA-N -1 1 297.358 3.057 20 0 CGADMM Cc1[n-]n(-c2ncnc(Cl)c2C(C)C)c(=O)c1C1CC1 ZINC000871957504 633927218 /nfs/dbraw/zinc/92/72/18/633927218.db2.gz VDXPGHCHXJEUQQ-LLVKDONJSA-N -1 1 292.770 3.002 20 0 CGADMM O=c1c2c([n-]n1[C@H]1CCOC3(CCCC3)C1)CCCCC2 ZINC000871964788 633931625 /nfs/dbraw/zinc/93/16/25/633931625.db2.gz ZRXWRQXYDBZJCZ-KBPBESRZSA-N -1 1 290.407 3.257 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)NC(C1CC1)C1CC1 ZINC000872814364 634213945 /nfs/dbraw/zinc/21/39/45/634213945.db2.gz WVKJFAVHYFSYCE-UHFFFAOYSA-N -1 1 294.782 3.033 20 0 CGADMM O=C(NCCCC1CC1)NCc1ccc([O-])c(Cl)c1 ZINC000872898720 634220039 /nfs/dbraw/zinc/22/00/39/634220039.db2.gz QUEAPEMASAEPCV-UHFFFAOYSA-N -1 1 282.771 3.035 20 0 CGADMM O=C(N[C@H]1CCSC2(CCC2)C1)c1c([O-])cccc1F ZINC000834735136 634231827 /nfs/dbraw/zinc/23/18/27/634231827.db2.gz OTRVGUOTVCWOGU-JTQLQIEISA-N -1 1 295.379 3.079 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@H]1CCCC12CC2 ZINC000873086929 634243857 /nfs/dbraw/zinc/24/38/57/634243857.db2.gz QCGMCGXUMFLUJL-ZDUSSCGKSA-N -1 1 294.782 3.178 20 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CGADMM CCCO[N-]C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000844089090 635819448 /nfs/dbraw/zinc/81/94/48/635819448.db2.gz XRPQOWZXWXQKAB-SECBINFHSA-N -1 1 275.270 3.267 20 0 CGADMM O=C([O-])[C@H](NCc1cccc2c1CCC2)c1ccccc1F ZINC000844291069 635861008 /nfs/dbraw/zinc/86/10/08/635861008.db2.gz PLMXXWVUXBZSQK-QGZVFWFLSA-N -1 1 299.345 3.230 20 0 CGADMM C[C@H](C(=O)[N-]OC/C=C\Cl)c1ccc(Cl)cc1 ZINC000846192801 636156934 /nfs/dbraw/zinc/15/69/34/636156934.db2.gz JUHSPTWNVXDYEX-HKQQGCEUSA-N -1 1 274.147 3.244 20 0 CGADMM C=C/C=C\CCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000882170313 636276728 /nfs/dbraw/zinc/27/67/28/636276728.db2.gz OXHFTNJPPSNCHI-ARJAWSKDSA-N -1 1 258.293 3.344 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)[C@H]1CCCc2ccc(OC)cc21 ZINC000848121153 636532975 /nfs/dbraw/zinc/53/29/75/636532975.db2.gz VGQFKBVNKPWJHQ-DOMZBBRYSA-N -1 1 291.391 3.209 20 0 CGADMM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1cncc([O-])c1 ZINC000885234811 637190503 /nfs/dbraw/zinc/19/05/03/637190503.db2.gz RZEOGMSWQBAOMX-OAHLLOKOSA-N -1 1 296.370 3.196 20 0 CGADMM CCCCC[C@@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000885345280 637207175 /nfs/dbraw/zinc/20/71/75/637207175.db2.gz MHZMDZHWPYNPQC-LLVKDONJSA-N -1 1 293.411 3.313 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1(C(F)(F)F)CC1 ZINC000885674768 637284481 /nfs/dbraw/zinc/28/44/81/637284481.db2.gz UTPDRXSXDGSDPX-UHFFFAOYSA-N -1 1 297.635 3.466 20 0 CGADMM CC(C)C(C)(C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266713 637473371 /nfs/dbraw/zinc/47/33/71/637473371.db2.gz WBKCAYSATKTJIY-UHFFFAOYSA-N -1 1 285.334 3.011 20 0 CGADMM C[C@@]1(C(=O)NCCc2c(F)cc([O-])cc2F)CC=CCC1 ZINC000886268191 637473517 /nfs/dbraw/zinc/47/35/17/637473517.db2.gz GYPYWLFDACCVDK-MRXNPFEDSA-N -1 1 295.329 3.076 20 0 CGADMM CC(C)[C@H]1CCc2[n-]n(C3CCSCC3)c(=O)c2C1 ZINC000887292827 637790543 /nfs/dbraw/zinc/79/05/43/637790543.db2.gz HRLIUGUGLPHIFP-AAEUAGOBSA-N -1 1 280.437 3.153 20 0 CGADMM C/C(=C\C(=O)Nc1cc(F)c([O-])cc1Cl)C1CC1 ZINC000885674124 638022975 /nfs/dbraw/zinc/02/29/75/638022975.db2.gz HVFMABZLFZFMPM-QPJJXVBHSA-N -1 1 269.703 3.480 20 0 CGADMM CSC[C@@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675775 638034900 /nfs/dbraw/zinc/03/49/00/638034900.db2.gz ALMOQDDNBCGSKA-ZCFIWIBFSA-N -1 1 277.748 3.122 20 0 CGADMM CC(F)(F)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678967 638050109 /nfs/dbraw/zinc/05/01/09/638050109.db2.gz ZPRDZAZLQZKQSL-UHFFFAOYSA-N -1 1 267.634 3.169 20 0 CGADMM CCC[C@@H](C(=O)[N-]OCCCOC)c1ccc(Cl)cc1 ZINC000854449595 638054640 /nfs/dbraw/zinc/05/46/40/638054640.db2.gz NBJFHCXHZUZKGM-CQSZACIVSA-N -1 1 299.798 3.308 20 0 CGADMM C[C@@H]1CCC(C)(C)N1C(=O)c1c([O-])cccc1Cl ZINC000854897726 638116778 /nfs/dbraw/zinc/11/67/78/638116778.db2.gz GPGZIWMNDKQIEN-SECBINFHSA-N -1 1 267.756 3.449 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H](CCF)C1 ZINC000855826754 638259525 /nfs/dbraw/zinc/25/95/25/638259525.db2.gz HVIQMFLLWXZGAJ-SNVBAGLBSA-N -1 1 285.746 3.257 20 0 CGADMM CCC[C@@H](C(=O)[N-]OCC)c1cccc(Cl)c1 ZINC000858262999 638668213 /nfs/dbraw/zinc/66/82/13/638668213.db2.gz UBHWBZMQLBQJSD-GFCCVEGCSA-N -1 1 255.745 3.291 20 0 CGADMM O=c1nc(N[C@@H]2C[C@H]2C2CCCCC2)cc(Cl)[n-]1 ZINC000858424189 638712521 /nfs/dbraw/zinc/71/25/21/638712521.db2.gz VRVVDYBWPVMBIK-VHSXEESVSA-N -1 1 267.760 3.216 20 0 CGADMM O=c1nc(N[C@H]2C[C@H]2C2CCCCC2)cc(Cl)[n-]1 ZINC000858424188 638713160 /nfs/dbraw/zinc/71/31/60/638713160.db2.gz VRVVDYBWPVMBIK-UWVGGRQHSA-N -1 1 267.760 3.216 20 0 CGADMM O=c1nc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc(Cl)[n-]1 ZINC000858426848 638714331 /nfs/dbraw/zinc/71/43/31/638714331.db2.gz UOXJUEGDXJVXFM-OPRDCNLKSA-N -1 1 267.760 3.216 20 0 CGADMM CCC[C@]1(C)CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858429898 638715480 /nfs/dbraw/zinc/71/54/80/638715480.db2.gz NESNTLBFILUTNS-CYBMUJFWSA-N -1 1 269.776 3.242 20 0 CGADMM CCCCO[C@@H]1C[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C1(C)C ZINC000858436012 638717541 /nfs/dbraw/zinc/71/75/41/638717541.db2.gz WPOGXFYIUPFTRO-NXEZZACHSA-N -1 1 299.802 3.231 20 0 CGADMM CC[C@@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCCC1 ZINC000858563870 638762482 /nfs/dbraw/zinc/76/24/82/638762482.db2.gz YNICDOLXNIWPHZ-SECBINFHSA-N -1 1 255.749 3.216 20 0 CGADMM CC(C)(CNc1cc(Cl)[n-]c(=O)n1)C1=CCCC1 ZINC000858566347 638762686 /nfs/dbraw/zinc/76/26/86/638762686.db2.gz ROUCPHXDCQUOKT-UHFFFAOYSA-N -1 1 267.760 3.384 20 0 CGADMM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000928383606 638879163 /nfs/dbraw/zinc/87/91/63/638879163.db2.gz IQLOZTSHXIVCLM-DZGCQCFKSA-N -1 1 296.370 3.196 20 0 CGADMM O=c1nc(NC[C@@H]2CCC[C@@H]2C2CC2)cc(Cl)[n-]1 ZINC000858567778 638995190 /nfs/dbraw/zinc/99/51/90/638995190.db2.gz IZXFJVGSKNHUJY-VHSXEESVSA-N -1 1 267.760 3.074 20 0 CGADMM CC(C)(C)CC(C)(C)C(=O)[N-]O[C@H]1CCCCO1 ZINC000931316885 639134349 /nfs/dbraw/zinc/13/43/49/639134349.db2.gz HAQSRFNBLCRUFF-NSHDSACASA-N -1 1 257.374 3.023 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000082192829 640565368 /nfs/dbraw/zinc/56/53/68/640565368.db2.gz FCTPRPUFVLIPBD-UHFFFAOYSA-N -1 1 289.718 3.233 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc(Cl)c(Cl)[nH]1 ZINC000089541544 640650831 /nfs/dbraw/zinc/65/08/31/640650831.db2.gz AZIUNFNHMFIXSX-UHFFFAOYSA-N -1 1 289.093 3.419 20 0 CGADMM COCOc1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001211643672 814924162 /nfs/dbraw/zinc/92/41/62/814924162.db2.gz CXKPCGYFCNOICM-UHFFFAOYSA-N -1 1 281.258 3.397 20 0 CGADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(F)c([O-])c1 ZINC001156040488 805644757 /nfs/dbraw/zinc/64/47/57/805644757.db2.gz SBNJVAHPRFWQNS-GXTWGEPZSA-N -1 1 277.339 3.230 20 0 CGADMM Cc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nn1 ZINC001250519149 805670625 /nfs/dbraw/zinc/67/06/25/805670625.db2.gz GPTWJAVXLHWSRY-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM COc1cc2nc(-c3cc(F)c([O-])c(F)c3)[nH]c2cc1F ZINC001250921517 805799294 /nfs/dbraw/zinc/79/92/94/805799294.db2.gz WBZKCWFQAHCSFM-UHFFFAOYSA-N -1 1 294.232 3.361 20 0 CGADMM COc1ccc2nc(-c3c(F)cc([O-])cc3F)n(C)c2c1 ZINC001251007627 805826481 /nfs/dbraw/zinc/82/64/81/805826481.db2.gz LYIOLGYJWMYXJA-UHFFFAOYSA-N -1 1 290.269 3.233 20 0 CGADMM Cc1ccc2nc(-c3sccc3C(=O)[O-])[nH]c2c1 ZINC001251011701 805827701 /nfs/dbraw/zinc/82/77/01/805827701.db2.gz QYLAQKOJCVNLHU-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM Cc1ccc(F)c2nc(-c3cc(Cl)ncc3[O-])[nH]c21 ZINC001251251395 805872707 /nfs/dbraw/zinc/87/27/07/805872707.db2.gz BUFGBVBUCPUWOB-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM COCc1csc(C(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001157811697 805877869 /nfs/dbraw/zinc/87/78/69/805877869.db2.gz OKVZDNCIHCREPX-UHFFFAOYSA-N -1 1 299.298 3.131 20 0 CGADMM Cn1c2cc(F)ccc2nc1-c1ccc(F)c([O-])c1 ZINC001251477715 805900248 /nfs/dbraw/zinc/90/02/48/805900248.db2.gz SGSBFTLAOSHUER-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CC(=O)Nc1ccc2[nH]c(-c3ccc(F)c([O-])c3)nc2c1 ZINC001251477466 805900342 /nfs/dbraw/zinc/90/03/42/805900342.db2.gz MUPVPLHLAAGMTB-UHFFFAOYSA-N -1 1 285.278 3.033 20 0 CGADMM CC[C@H]1CCC[C@@H]1CNC(=O)c1cccc([O-])c1F ZINC001158376551 805947548 /nfs/dbraw/zinc/94/75/48/805947548.db2.gz OVKQRVIATDGCTC-WDEREUQCSA-N -1 1 265.328 3.087 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3cccnc3c2)cc1 ZINC001252178430 806028659 /nfs/dbraw/zinc/02/86/59/806028659.db2.gz IKPBBKNWOKENMP-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CC(C)COc1ccc(F)cc1[N-]S(=O)(=O)C(C)C ZINC001252536145 806058372 /nfs/dbraw/zinc/05/83/72/806058372.db2.gz ULSNHEQEAQYPSN-UHFFFAOYSA-N -1 1 289.372 3.011 20 0 CGADMM O=S(=O)(Cc1ccccc1)[N-]c1cc2ccccc2cn1 ZINC001252810857 806125792 /nfs/dbraw/zinc/12/57/92/806125792.db2.gz JUYZLVUKVMUUIN-UHFFFAOYSA-N -1 1 298.367 3.177 20 0 CGADMM Cc1cc(Nc2ccc3c[nH]nc3c2)cc(C(=O)[O-])c1 ZINC001159662979 806143442 /nfs/dbraw/zinc/14/34/42/806143442.db2.gz OVTXDQDMOICDNV-UHFFFAOYSA-N -1 1 267.288 3.313 20 0 CGADMM CCC(CC)N(CC)C(=O)c1cccc([O-])c1F ZINC001160252875 806242773 /nfs/dbraw/zinc/24/27/73/806242773.db2.gz ZFHUFCVIRNQQEZ-UHFFFAOYSA-N -1 1 253.317 3.182 20 0 CGADMM COc1cccc([O-])c1-c1nnc(-c2cccc(F)c2)o1 ZINC001254141163 806350624 /nfs/dbraw/zinc/35/06/24/806350624.db2.gz WCHLUSYQIZVNKQ-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM Cc1ccc(/C=C\C(=O)Nc2cc(F)cc(F)c2[O-])cn1 ZINC001162293117 806549609 /nfs/dbraw/zinc/54/96/09/806549609.db2.gz XISLTKLTGCAVDW-PLNGDYQASA-N -1 1 290.269 3.026 20 0 CGADMM CCC[C@@H]1C[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001162296197 806551570 /nfs/dbraw/zinc/55/15/70/806551570.db2.gz UKKPZQPULSFMII-VXNVDRBHSA-N -1 1 255.264 3.045 20 0 CGADMM C[C@@H](C(=O)[N-]OCCC(F)(F)F)c1ccc(F)cc1F ZINC001255302922 806601326 /nfs/dbraw/zinc/60/13/26/806601326.db2.gz BOMLUVUGRMSMJT-SSDOTTSWSA-N -1 1 297.223 3.069 20 0 CGADMM Cc1ccc([C@@H](NCc2cccs2)C(=O)[O-])cc1C ZINC000037966678 798880331 /nfs/dbraw/zinc/88/03/31/798880331.db2.gz NKGLPRUWKYUOQY-CQSZACIVSA-N -1 1 275.373 3.280 20 0 CGADMM CCN(Cc1cc(F)c([O-])c(F)c1)CC(F)(F)F ZINC000132517933 799031771 /nfs/dbraw/zinc/03/17/71/799031771.db2.gz SUGRJDRQMVIKPY-UHFFFAOYSA-N -1 1 269.213 3.055 20 0 CGADMM C[C@@H]1SCCN(C(=O)c2cc(Cl)ccc2[O-])[C@H]1C ZINC000134767371 799037090 /nfs/dbraw/zinc/03/70/90/799037090.db2.gz OIZOTKORKGUXII-IUCAKERBSA-N -1 1 285.796 3.012 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccc(F)c1F ZINC000165454069 799084752 /nfs/dbraw/zinc/08/47/52/799084752.db2.gz HMMDXGLFDHQXKW-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM CC(=NNc1ccccc1C(=O)[O-])c1ccccc1 ZINC000256729433 799173711 /nfs/dbraw/zinc/17/37/11/799173711.db2.gz RNWPKNSIBDBBRU-UHFFFAOYSA-N -1 1 254.289 3.221 20 0 CGADMM C[C@@H](CCC(C)(C)C)NC(=O)c1c([O-])cccc1F ZINC000386424571 799436178 /nfs/dbraw/zinc/43/61/78/799436178.db2.gz YUULASVAZPCNSH-JTQLQIEISA-N -1 1 267.344 3.476 20 0 CGADMM [O-]c1c(F)cc(CN2CC[C@H](C(F)(F)F)C2)cc1F ZINC000388264308 799452072 /nfs/dbraw/zinc/45/20/72/799452072.db2.gz BQVWWTXDWQZHAQ-QMMMGPOBSA-N -1 1 281.224 3.055 20 0 CGADMM Cc1cc(C)c(-c2noc(-c3ccc([O-])cc3F)n2)cn1 ZINC000397402907 799516557 /nfs/dbraw/zinc/51/65/57/799516557.db2.gz GBHIJCHRPIVXOL-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM [O-]c1cc(F)cc(-c2nnc(Cc3ccccc3F)o2)c1 ZINC001255860918 806772749 /nfs/dbraw/zinc/77/27/49/806772749.db2.gz RYRNQODOEGGJFC-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM Cc1cccc2cc(Oc3cc(Cl)nc(=O)[n-]3)cnc12 ZINC001163522782 806776531 /nfs/dbraw/zinc/77/65/31/806776531.db2.gz FWBRLONUMKCLSH-UHFFFAOYSA-N -1 1 287.706 3.485 20 0 CGADMM CCN(Cc1ccoc1)Cc1cc(C(=O)[O-])cs1 ZINC000711377096 800053068 /nfs/dbraw/zinc/05/30/68/800053068.db2.gz GFEKTQVALQOORY-UHFFFAOYSA-N -1 1 265.334 3.061 20 0 CGADMM O=C([O-])c1csc(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000711469009 800061984 /nfs/dbraw/zinc/06/19/84/800061984.db2.gz NIFBQVAMOAMTGD-VIFPVBQESA-N -1 1 293.310 3.221 20 0 CGADMM CCC[C@@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744769989 800377304 /nfs/dbraw/zinc/37/73/04/800377304.db2.gz PRUJYRXMCXTYDH-LLVKDONJSA-N -1 1 278.348 3.117 20 0 CGADMM Cc1ccc2ccc(-c3nnc(CC(C)C)o3)c([O-])c2n1 ZINC001256426793 806893838 /nfs/dbraw/zinc/89/38/38/806893838.db2.gz SDZASCYPOGJBFS-UHFFFAOYSA-N -1 1 283.331 3.497 20 0 CGADMM COc1cc(-c2nnc([C@H]3C[C@H]3C)o2)cc(Cl)c1[O-] ZINC001256765735 806974279 /nfs/dbraw/zinc/97/42/79/806974279.db2.gz ZHTBHRVHJOHXTB-SVRRBLITSA-N -1 1 280.711 3.228 20 0 CGADMM CS[C@H]1CC[C@H](N(C)C(=O)c2c([O-])cccc2Cl)C1 ZINC001116448486 802354645 /nfs/dbraw/zinc/35/46/45/802354645.db2.gz YKGDBGQFUSKSHP-UWVGGRQHSA-N -1 1 299.823 3.402 20 0 CGADMM CS[C@H]1CC[C@@H](N(C)C(=O)c2c([O-])cccc2Cl)C1 ZINC001116448488 802355048 /nfs/dbraw/zinc/35/50/48/802355048.db2.gz YKGDBGQFUSKSHP-ZJUUUORDSA-N -1 1 299.823 3.402 20 0 CGADMM CC1(C)C[C@@H]1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001116776170 802409237 /nfs/dbraw/zinc/40/92/37/802409237.db2.gz VMUIEEVTTXSJDE-MRVPVSSYSA-N -1 1 284.153 3.139 20 0 CGADMM Cc1cc(N(C)C)ncc1-c1cc(F)c([O-])c(F)c1 ZINC001244093226 803181686 /nfs/dbraw/zinc/18/16/86/803181686.db2.gz DLWOROJTUJIFHD-UHFFFAOYSA-N -1 1 264.275 3.107 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3nnc(C4CC4)n3c2)cc1F ZINC001244094911 803182867 /nfs/dbraw/zinc/18/28/67/803182867.db2.gz DJEJXNRTRDFQBC-UHFFFAOYSA-N -1 1 287.269 3.258 20 0 CGADMM Cc1cc2c(c(-c3ccc(C4CC4)cc3C)n1)C(=O)[N-]C2=O ZINC001244276959 803274203 /nfs/dbraw/zinc/27/42/03/803274203.db2.gz BYYMHBIUQTUMKU-UHFFFAOYSA-N -1 1 292.338 3.126 20 0 CGADMM Cc1cc(C2CC2)ccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001244275828 803274300 /nfs/dbraw/zinc/27/43/00/803274300.db2.gz KTUKVODCDOULSR-UHFFFAOYSA-N -1 1 277.331 3.115 20 0 CGADMM Cc1cc(C2CC2)ccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001244275828 803274304 /nfs/dbraw/zinc/27/43/04/803274304.db2.gz KTUKVODCDOULSR-UHFFFAOYSA-N -1 1 277.331 3.115 20 0 CGADMM Cc1cc(-c2cc(F)c(O)c(Cl)c2)cnc1C(=O)[O-] ZINC001244501424 803407084 /nfs/dbraw/zinc/40/70/84/803407084.db2.gz BYROKZCREKOXOO-UHFFFAOYSA-N -1 1 281.670 3.253 20 0 CGADMM CC(=O)Nc1nc(C)cc(-c2cc(C)c([O-])c(Cl)c2)n1 ZINC001244536263 803424294 /nfs/dbraw/zinc/42/42/94/803424294.db2.gz HNXPGGWVGIYZMY-UHFFFAOYSA-N -1 1 291.738 3.078 20 0 CGADMM Cc1ncc(F)c(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244537446 803425698 /nfs/dbraw/zinc/42/56/98/803425698.db2.gz FRCDGQYHXOZCOR-UHFFFAOYSA-N -1 1 256.639 3.089 20 0 CGADMM COC(=O)c1cccc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244539025 803426906 /nfs/dbraw/zinc/42/69/06/803426906.db2.gz VUDCYZNUHKHGEC-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM CN(C)c1cncc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244543030 803429491 /nfs/dbraw/zinc/42/94/91/803429491.db2.gz RPMPUKXCBJQJQQ-UHFFFAOYSA-N -1 1 266.703 3.313 20 0 CGADMM COc1ccc(-c2c(Cl)ccc([O-])c2F)nc1F ZINC001244543831 803430809 /nfs/dbraw/zinc/43/08/09/803430809.db2.gz YOYKEJZHJPSGDN-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM Cc1cc(-c2cncc3nccnc32)cc(Cl)c1[O-] ZINC001244546641 803431600 /nfs/dbraw/zinc/43/16/00/803431600.db2.gz GDWDMSWYDMNHKY-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM O=C([O-])c1cc(-c2cccc(C3=NCCC3)c2)cnc1F ZINC001244754669 803520515 /nfs/dbraw/zinc/52/05/15/803520515.db2.gz KCOZZGHOOZSHBF-UHFFFAOYSA-N -1 1 284.290 3.169 20 0 CGADMM CCc1ccc(CN(C)C(=O)c2ccc(F)c([O-])c2)cc1 ZINC001135245534 803582405 /nfs/dbraw/zinc/58/24/05/803582405.db2.gz MCIKOAKXWKNJLD-UHFFFAOYSA-N -1 1 287.334 3.366 20 0 CGADMM CCCNC(=O)c1ccc(-c2cc(Cl)ccc2[O-])nc1 ZINC001245050337 803621951 /nfs/dbraw/zinc/62/19/51/803621951.db2.gz RWRWNGZCPAOPPO-UHFFFAOYSA-N -1 1 290.750 3.247 20 0 CGADMM Cc1nc(-c2cc(Cl)ccc2[O-])cc(N2CCCC2)n1 ZINC001245051897 803623143 /nfs/dbraw/zinc/62/31/43/803623143.db2.gz QXFPVECKZWFGQX-UHFFFAOYSA-N -1 1 289.766 3.411 20 0 CGADMM CC[C@H](CNC(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001136514026 803646093 /nfs/dbraw/zinc/64/60/93/803646093.db2.gz RXYMRXLOIJDQRA-GFCCVEGCSA-N -1 1 287.334 3.455 20 0 CGADMM CN(C)Cc1ccc(-c2ccc(C(=O)[O-])cc2Cl)nc1 ZINC001245370179 803716808 /nfs/dbraw/zinc/71/68/08/803716808.db2.gz CTHOFSOKSJTUCV-UHFFFAOYSA-N -1 1 290.750 3.162 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCC[C@H]1CCC1CCCC1 ZINC001137527096 803738654 /nfs/dbraw/zinc/73/86/54/803738654.db2.gz ORGAFZWFMUBKKC-AWEZNQCLSA-N -1 1 288.391 3.362 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc(C2CC2)o1 ZINC001137674438 803756029 /nfs/dbraw/zinc/75/60/29/803756029.db2.gz UGUZRBZDLZAMDZ-UHFFFAOYSA-N -1 1 278.695 3.163 20 0 CGADMM O=C(N[C@H]1CC12CCCCC2)c1ncc2ccccc2c1[O-] ZINC001137899596 803798607 /nfs/dbraw/zinc/79/86/07/803798607.db2.gz ZTTRBDVEPZODNN-AWEZNQCLSA-N -1 1 296.370 3.393 20 0 CGADMM O=c1c(-c2c([O-])cccc2F)cccn1-c1cccc(F)c1 ZINC001245655954 803888635 /nfs/dbraw/zinc/88/86/35/803888635.db2.gz RCUWPKXILZCQDY-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM CC(=O)Oc1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001212083709 814974515 /nfs/dbraw/zinc/97/45/15/814974515.db2.gz GDJAYRSCOHIVGR-UHFFFAOYSA-N -1 1 279.242 3.339 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc3cccnc3n2)c1Cl ZINC001245828529 803982349 /nfs/dbraw/zinc/98/23/49/803982349.db2.gz USTYPZTZAHYGDZ-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM O=C1NCCc2cc(-c3c(F)ccc([O-])c3Cl)ccc21 ZINC001245831607 803986097 /nfs/dbraw/zinc/98/60/97/803986097.db2.gz GKINEEJUHMIZQE-UHFFFAOYSA-N -1 1 291.709 3.138 20 0 CGADMM CCc1ncncc1-c1c(F)ccc([O-])c1Cl ZINC001245831741 803986112 /nfs/dbraw/zinc/98/61/12/803986112.db2.gz OLTMAKUMLOVLCT-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM COC(=O)c1cc(-c2c(F)ccc([O-])c2Cl)ccn1 ZINC001245832021 803986129 /nfs/dbraw/zinc/98/61/29/803986129.db2.gz GYJADVOOVAINHX-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM COC(=O)c1ccncc1-c1c(F)ccc([O-])c1Cl ZINC001245831278 803986197 /nfs/dbraw/zinc/98/61/97/803986197.db2.gz IRRCYVWZQKBXOP-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM O=C1NCc2ccc(-c3c(F)ccc([O-])c3Cl)cc21 ZINC001245831508 803986568 /nfs/dbraw/zinc/98/65/68/803986568.db2.gz NOEZSRHDXXIMIC-UHFFFAOYSA-N -1 1 277.682 3.095 20 0 CGADMM CCOc1cnc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245831972 803986837 /nfs/dbraw/zinc/98/68/37/803986837.db2.gz RAANGOOEKJHXJR-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM CNC(=O)c1ccc(-c2c(F)ccc([O-])c2Cl)cc1 ZINC001245831182 803987239 /nfs/dbraw/zinc/98/72/39/803987239.db2.gz HQSBVALZRWSYNF-UHFFFAOYSA-N -1 1 279.698 3.211 20 0 CGADMM CC(C)(C)c1cc(=O)n(C(=S)c2ccc(F)cc2)[n-]1 ZINC001245929803 804058650 /nfs/dbraw/zinc/05/86/50/804058650.db2.gz QMCWUIYGGZJWRF-UHFFFAOYSA-N -1 1 278.352 3.249 20 0 CGADMM COc1ccc(-n2[n-]c(CC3CC3)cc2=O)cc1Cl ZINC001245952933 804087244 /nfs/dbraw/zinc/08/72/44/804087244.db2.gz JRSDUANXDAZQMG-UHFFFAOYSA-N -1 1 278.739 3.192 20 0 CGADMM Cc1cc(C)c(-n2[n-]c(CC3CC3)cc2=O)c(C)c1 ZINC001245952624 804087501 /nfs/dbraw/zinc/08/75/01/804087501.db2.gz FTZILEUCYATLLI-UHFFFAOYSA-N -1 1 256.349 3.456 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1ccc2ncccc2c1 ZINC001245953894 804088351 /nfs/dbraw/zinc/08/83/51/804088351.db2.gz VZVYQOPRKRXNFH-UHFFFAOYSA-N -1 1 265.316 3.079 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1cccc(Br)c1 ZINC001245953510 804088825 /nfs/dbraw/zinc/08/88/25/804088825.db2.gz OXSQQEQFFFVRPK-UHFFFAOYSA-N -1 1 293.164 3.293 20 0 CGADMM Cc1[nH]c(CN2CCC[C@H]3CCCC[C@@H]32)c(C)c1C(=O)[O-] ZINC001140497171 804446544 /nfs/dbraw/zinc/44/65/44/804446544.db2.gz HSVHAAWPOWGWHP-HIFRSBDPSA-N -1 1 290.407 3.484 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc2c(s1)CCC2 ZINC001140652161 804484508 /nfs/dbraw/zinc/48/45/08/804484508.db2.gz GYZDBAORUWQPGC-UHFFFAOYSA-N -1 1 295.310 3.473 20 0 CGADMM CCN(C(=O)c1cc(C)cc(C=O)c1[O-])C1CCCCC1 ZINC001141504411 804647998 /nfs/dbraw/zinc/64/79/98/804647998.db2.gz YHYPWXLADFDKGV-UHFFFAOYSA-N -1 1 289.375 3.308 20 0 CGADMM CCOc1ccc(NC(=O)c2cccc([O-])c2F)cc1F ZINC001141987678 804685038 /nfs/dbraw/zinc/68/50/38/804685038.db2.gz PHXPACAMAFVSRL-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM C[C@@H]1CN(C(=O)c2cccc([O-])c2F)c2ccccc21 ZINC001142644419 804746867 /nfs/dbraw/zinc/74/68/67/804746867.db2.gz OSKVZFYWCKKSLM-SNVBAGLBSA-N -1 1 271.291 3.295 20 0 CGADMM Cc1ccc(NC(=O)c2ccc([O-])cn2)c(Cl)c1C ZINC001143100879 804799628 /nfs/dbraw/zinc/79/96/28/804799628.db2.gz ZVGPVKUXYCGDGB-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM Cc1cc(C)cc(-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212480925 815036214 /nfs/dbraw/zinc/03/62/14/815036214.db2.gz QCAXFJNGCBYEBX-UHFFFAOYSA-N -1 1 267.288 3.121 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2cccc3cnccc32)no1 ZINC001212480875 815036389 /nfs/dbraw/zinc/03/63/89/815036389.db2.gz NQRWVSMVHOPJHK-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM C[C@H]1CN(Cc2c(F)cc([O-])cc2F)CCC1(F)F ZINC001144541100 805002209 /nfs/dbraw/zinc/00/22/09/805002209.db2.gz ALYGANHOZCQYEM-QMMMGPOBSA-N -1 1 277.261 3.148 20 0 CGADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)[C@@H](C)c1ccccc1 ZINC001148723275 805206737 /nfs/dbraw/zinc/20/67/37/805206737.db2.gz ICGCTEZYYJGULD-VXGBXAGGSA-N -1 1 287.334 3.453 20 0 CGADMM C[C@@H]1CCN1C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148866575 805212990 /nfs/dbraw/zinc/21/29/90/805212990.db2.gz BHAKKWGHEWSLJZ-GFCCVEGCSA-N -1 1 267.328 3.294 20 0 CGADMM Cn1cc(Nc2ccc(F)c(F)c2[O-])c2ccncc21 ZINC001249700949 805218737 /nfs/dbraw/zinc/21/87/37/805218737.db2.gz LCMCRTPATHPJGB-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM C[C@H]1CCCCN(C(=O)c2ccc3cccnc3c2[O-])C1 ZINC001149320258 805227902 /nfs/dbraw/zinc/22/79/02/805227902.db2.gz VYNXJSNWYJWUOO-LBPRGKRZSA-N -1 1 284.359 3.203 20 0 CGADMM COc1ccc(CC(=O)Nc2cccc(F)c2[O-])c(C)c1 ZINC001151779814 805312809 /nfs/dbraw/zinc/31/28/09/805312809.db2.gz NKLPGMVRHHYVMA-UHFFFAOYSA-N -1 1 289.306 3.030 20 0 CGADMM [O-]c1cc(Nc2cccnc2F)c(F)c(F)c1F ZINC001249957233 805325339 /nfs/dbraw/zinc/32/53/39/805325339.db2.gz CKQDLQBTWRGXAX-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM C[C@H](O)c1ccnc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249961098 805329237 /nfs/dbraw/zinc/32/92/37/805329237.db2.gz FRFAWONMDPZWDZ-LURJTMIESA-N -1 1 284.237 3.001 20 0 CGADMM CCOC(=O)CCCc1c(Cl)ccc([O-])c1F ZINC001249975369 805338290 /nfs/dbraw/zinc/33/82/90/805338290.db2.gz UNNLXXAHDLIABA-UHFFFAOYSA-N -1 1 260.692 3.071 20 0 CGADMM C[C@H]1CCC[C@@H](C2CN(C(=O)c3cc(F)ccc3[O-])C2)C1 ZINC001152403182 805348307 /nfs/dbraw/zinc/34/83/07/805348307.db2.gz TWCSDACFVKELSS-NWDGAFQWSA-N -1 1 291.366 3.430 20 0 CGADMM CCC(O)(CC)C(C)(C)NC(=O)c1ccc(Cl)cc1[O-] ZINC001152437121 805350459 /nfs/dbraw/zinc/35/04/59/805350459.db2.gz NOTWTVZBUJRQQF-UHFFFAOYSA-N -1 1 299.798 3.105 20 0 CGADMM CC(=O)Nc1ccc(Nc2cc(Cl)c([O-])cc2F)cn1 ZINC001250020093 805370461 /nfs/dbraw/zinc/37/04/61/805370461.db2.gz DIJSNGPFJQENLK-UHFFFAOYSA-N -1 1 295.701 3.282 20 0 CGADMM O=C1NCc2c1cccc2Nc1cc(Cl)c([O-])cc1F ZINC001250022697 805374183 /nfs/dbraw/zinc/37/41/83/805374183.db2.gz SXGKRHZWMFHUFZ-UHFFFAOYSA-N -1 1 292.697 3.172 20 0 CGADMM COc1cc(OC)c(Nc2cc(Cl)c([O-])cc2F)cn1 ZINC001250023746 805375565 /nfs/dbraw/zinc/37/55/65/805375565.db2.gz YZLQLYFLUOPMNM-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM COc1cc(Nc2cc(Cl)c([O-])cc2F)c(F)cn1 ZINC001250023602 805375845 /nfs/dbraw/zinc/37/58/45/805375845.db2.gz QRYDMRPEUKTBTL-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM O=C(N[C@H]1CC=CCC1)c1c([O-])ccc2ccccc21 ZINC001153511271 805400343 /nfs/dbraw/zinc/40/03/43/805400343.db2.gz YYNAYEDNAFMGTL-ZDUSSCGKSA-N -1 1 267.328 3.384 20 0 CGADMM COC(=O)c1c(Cl)cccc1[N-]c1nc(C)ns1 ZINC001250143574 805441435 /nfs/dbraw/zinc/44/14/35/805441435.db2.gz HGYGUIXWSWBOSX-UHFFFAOYSA-N -1 1 283.740 3.030 20 0 CGADMM Cc1c2cc(N)ccc2nn1-c1c(F)ccc([O-])c1Cl ZINC001250233317 805508359 /nfs/dbraw/zinc/50/83/59/805508359.db2.gz LQXKXVYKBBGTBV-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM CCn1cnc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250234235 805509242 /nfs/dbraw/zinc/50/92/42/805509242.db2.gz MEYGRXJROCKKIK-UHFFFAOYSA-N -1 1 255.680 3.145 20 0 CGADMM COc1cccc(Cc2cc([O-])c(F)c(F)c2F)c1 ZINC001250265664 805533895 /nfs/dbraw/zinc/53/38/95/805533895.db2.gz GYCRDBIUKGMONT-UHFFFAOYSA-N -1 1 268.234 3.409 20 0 CGADMM COCCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167440181 807194581 /nfs/dbraw/zinc/19/45/81/807194581.db2.gz SOWXMGPDSFCWQO-UHFFFAOYSA-N -1 1 279.723 3.174 20 0 CGADMM Cc1cc(-c2noc(-c3ccncc3[O-])n2)ccc1Cl ZINC001212721350 815113881 /nfs/dbraw/zinc/11/38/81/815113881.db2.gz LQHJYCYPIDDYQV-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM Cc1ccc(-c2noc(-c3ccncc3[O-])n2)c(C)c1 ZINC001212721264 815114306 /nfs/dbraw/zinc/11/43/06/815114306.db2.gz HFJRSQMWHVGBRZ-UHFFFAOYSA-N -1 1 267.288 3.121 20 0 CGADMM O=S(=O)([N-]c1cccc(C2CCC2)n1)C1CCCC1 ZINC001259794880 807684635 /nfs/dbraw/zinc/68/46/35/807684635.db2.gz WDNZGDHGHHUWTQ-UHFFFAOYSA-N -1 1 280.393 3.033 20 0 CGADMM O=S(=O)([N-]c1cccc(C2CC2)n1)C1CCCCC1 ZINC001259810042 807689174 /nfs/dbraw/zinc/68/91/74/807689174.db2.gz RURUWADBTJVFFA-UHFFFAOYSA-N -1 1 280.393 3.033 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1c(C)ccc2cccnc21 ZINC001260738104 807702054 /nfs/dbraw/zinc/70/20/54/807702054.db2.gz HTKGIVAGOZWZNT-LLVKDONJSA-N -1 1 278.377 3.083 20 0 CGADMM CC[C@H](C)S(=O)(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001260740759 807703304 /nfs/dbraw/zinc/70/33/04/807703304.db2.gz VLXSFHCMAVLJOU-LURJTMIESA-N -1 1 298.191 3.239 20 0 CGADMM O=C(NCc1ccc2cccnc2c1)c1cc(F)ccc1[O-] ZINC001171226809 808014425 /nfs/dbraw/zinc/01/44/25/808014425.db2.gz FQSCEZPDZQWAEU-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccccc2F)c1 ZINC001173846269 808708021 /nfs/dbraw/zinc/70/80/21/808708021.db2.gz VZXIBZFDIJPYQJ-UHFFFAOYSA-N -1 1 295.335 3.069 20 0 CGADMM CC(=O)Nc1ccccc1Nc1c([O-])cc(F)cc1F ZINC001173994079 808809605 /nfs/dbraw/zinc/80/96/05/808809605.db2.gz CURMLFWIQMOAIC-UHFFFAOYSA-N -1 1 278.258 3.372 20 0 CGADMM COc1cncc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001174089847 808856702 /nfs/dbraw/zinc/85/67/02/808856702.db2.gz IRNANVOSXRSYRK-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cccc(-n2cccn2)c1 ZINC001174299148 808940399 /nfs/dbraw/zinc/94/03/99/808940399.db2.gz SONNKCRNHABXDX-UHFFFAOYSA-N -1 1 286.722 3.370 20 0 CGADMM Brc1ccc2oc([N-]c3cncnc3)nc2c1 ZINC001174385441 808986489 /nfs/dbraw/zinc/98/64/89/808986489.db2.gz UKONGSYGZGUURW-UHFFFAOYSA-N -1 1 291.108 3.124 20 0 CGADMM [O-]c1cc(NC2=CCC3(CC2)OCCO3)c(F)cc1Cl ZINC001174639923 809113539 /nfs/dbraw/zinc/11/35/39/809113539.db2.gz MDWBOOJVNMANMK-UHFFFAOYSA-N -1 1 299.729 3.408 20 0 CGADMM CCO[C@H](C)n1cc([N-]c2nc(C(C)(C)C)ns2)cn1 ZINC001174691083 809131654 /nfs/dbraw/zinc/13/16/54/809131654.db2.gz LXQPSRYNTXOZKL-SECBINFHSA-N -1 1 295.412 3.331 20 0 CGADMM CCO[C@H](C)n1cc(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001174699145 809136386 /nfs/dbraw/zinc/13/63/86/809136386.db2.gz GJADNFDRODUWSQ-MRVPVSSYSA-N -1 1 283.278 3.166 20 0 CGADMM CSc1nc(Nc2ccc3cc[nH]c3c2)cc(=O)[n-]1 ZINC001174747781 809151660 /nfs/dbraw/zinc/15/16/60/809151660.db2.gz YWWQNQZJKZLGKG-UHFFFAOYSA-N -1 1 272.333 3.129 20 0 CGADMM CCOc1ccc([N-]c2nnc(C(C)C)o2)c(F)c1 ZINC001175246728 809322871 /nfs/dbraw/zinc/32/28/71/809322871.db2.gz ARTYWHJCMIJJRH-UHFFFAOYSA-N -1 1 265.288 3.474 20 0 CGADMM [O-]c1cc(Nc2cnc3cccnc3c2)cc(F)c1F ZINC001175357657 809376614 /nfs/dbraw/zinc/37/66/14/809376614.db2.gz GPOLWXDACTUIBQ-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc([O-])cn1 ZINC001291814779 809423693 /nfs/dbraw/zinc/42/36/93/809423693.db2.gz UGMICQQRKXVKFK-INIZCTEOSA-N -1 1 282.343 3.073 20 0 CGADMM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc([O-])cn2)cc1 ZINC001293704238 809453307 /nfs/dbraw/zinc/45/33/07/809453307.db2.gz TXQXNHJRANMBFA-KRWDZBQOSA-N -1 1 296.370 3.463 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccc2ccncc2c1 ZINC001175701091 809512406 /nfs/dbraw/zinc/51/24/06/809512406.db2.gz GILKQCDCHPZDMK-UHFFFAOYSA-N -1 1 299.315 3.161 20 0 CGADMM CC(=O)Oc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176670318 809739267 /nfs/dbraw/zinc/73/92/67/809739267.db2.gz DGOUVGVYDGPZCU-UHFFFAOYSA-N -1 1 297.232 3.478 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc(F)c(CO)c2)c1F ZINC001176672196 809739779 /nfs/dbraw/zinc/73/97/79/809739779.db2.gz VRECQONCPBFVML-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM Nc1ccc(F)c2ccn(-c3c(F)cc(F)c([O-])c3F)c21 ZINC001176673090 809741215 /nfs/dbraw/zinc/74/12/15/809741215.db2.gz DPALOTMMUJDMTA-UHFFFAOYSA-N -1 1 296.223 3.475 20 0 CGADMM O=C(Nc1cccc(-c2cccnc2)n1)c1ccccc1[O-] ZINC001178657332 809880964 /nfs/dbraw/zinc/88/09/64/809880964.db2.gz RRMVZSTWZLUWEX-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM CCN(CCC(F)(F)F)Cc1ccc([O-])c(F)c1F ZINC001180064652 809970936 /nfs/dbraw/zinc/97/09/36/809970936.db2.gz QURPXYDDJVTTHH-UHFFFAOYSA-N -1 1 283.240 3.445 20 0 CGADMM O=C(NCC1CCC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC001182303587 810103481 /nfs/dbraw/zinc/10/34/81/810103481.db2.gz VWGBZDVBEDGDAM-UHFFFAOYSA-N -1 1 290.750 3.124 20 0 CGADMM O=C(Nc1cnc(C2CC2)s1)c1ccc([O-])cc1F ZINC001186318909 810328090 /nfs/dbraw/zinc/32/80/90/810328090.db2.gz SCQHTSNLQSWLON-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM O=C(NCc1ccccc1C1CC1)c1ccc([O-])cc1F ZINC001186337152 810329677 /nfs/dbraw/zinc/32/96/77/810329677.db2.gz BJDPSDADVPXAOS-UHFFFAOYSA-N -1 1 285.318 3.339 20 0 CGADMM O=C(NCC1CCCCC1)Nc1c([O-])cccc1F ZINC001186876219 810368559 /nfs/dbraw/zinc/36/85/59/810368559.db2.gz YQRNTVCLZDSJDG-UHFFFAOYSA-N -1 1 266.316 3.233 20 0 CGADMM CC(=O)c1ccc(NC(=O)c2c(C)cccc2[O-])c(F)c1 ZINC001188649404 810498329 /nfs/dbraw/zinc/49/83/29/810498329.db2.gz YYRBUOXGSHZMEQ-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM CC(C)N(C(=O)c1cnc(-c2ccccc2)[n-]c1=O)C(C)C ZINC001190257457 810615858 /nfs/dbraw/zinc/61/58/58/810615858.db2.gz HZMABGNQZDEJPV-UHFFFAOYSA-N -1 1 299.374 3.108 20 0 CGADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccncc1 ZINC001190893400 810656048 /nfs/dbraw/zinc/65/60/48/810656048.db2.gz IFPHXDKOLVBZTM-UHFFFAOYSA-N -1 1 290.388 3.007 20 0 CGADMM CCCCCCNC(=O)Nc1cc(Cl)ncc1[O-] ZINC001191953297 810758626 /nfs/dbraw/zinc/75/86/26/810758626.db2.gz UPIBFLQALJVYCM-UHFFFAOYSA-N -1 1 271.748 3.142 20 0 CGADMM CCCCCCNC(=O)Nc1cc([O-])c(F)cc1F ZINC001191979748 810762573 /nfs/dbraw/zinc/76/25/73/810762573.db2.gz DZGXSALHQZOJTA-UHFFFAOYSA-N -1 1 272.295 3.372 20 0 CGADMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc([O-])cc(F)c1F ZINC001192670764 810815172 /nfs/dbraw/zinc/81/51/72/810815172.db2.gz NNZFHMYSAXGGSE-NXEZZACHSA-N -1 1 283.318 3.227 20 0 CGADMM COCOc1ccc(C)c(Nc2ccnc(Cl)c2[O-])c1 ZINC001214361277 815401616 /nfs/dbraw/zinc/40/16/16/815401616.db2.gz AOSNWUFURXBSAS-UHFFFAOYSA-N -1 1 294.738 3.475 20 0 CGADMM COc1ccnc(C(=O)Nc2ccccc2C(C)C)c1[O-] ZINC001193521494 810903761 /nfs/dbraw/zinc/90/37/61/810903761.db2.gz YLVCTNREAGBUSZ-UHFFFAOYSA-N -1 1 286.331 3.172 20 0 CGADMM COc1ccc(Nc2cc(F)c([O-])c(Cl)c2)c(OC)n1 ZINC001214483049 815416691 /nfs/dbraw/zinc/41/66/91/815416691.db2.gz ZSLGPLQLTRNNAE-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM CSc1cc(Nc2cc(F)c([O-])c(Cl)c2)nn1C ZINC001214485221 815416744 /nfs/dbraw/zinc/41/67/44/815416744.db2.gz XCSQKTCKHIMKHP-UHFFFAOYSA-N -1 1 287.747 3.384 20 0 CGADMM CC[C@H](C)COC(=O)Nc1cc(F)c([O-])cc1F ZINC001194803952 811138793 /nfs/dbraw/zinc/13/87/93/811138793.db2.gz GFGNLXFZZIZXTG-ZETCQYMHSA-N -1 1 259.252 3.265 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2cccc3cncc(F)c32)n1 ZINC001195329778 811242382 /nfs/dbraw/zinc/24/23/82/811242382.db2.gz IWEOZCWLWIABBM-UHFFFAOYSA-N -1 1 297.289 3.035 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1c(C)cccc1C1CC1 ZINC001195494644 811261792 /nfs/dbraw/zinc/26/17/92/811261792.db2.gz ODYDEEPEZRSXNF-UHFFFAOYSA-N -1 1 278.377 3.315 20 0 CGADMM CC[C@H](C)CNC(=S)Nc1cc(F)c([O-])c(F)c1 ZINC001200255112 811654938 /nfs/dbraw/zinc/65/49/38/811654938.db2.gz VZQLIZNRCDMJBZ-ZETCQYMHSA-N -1 1 274.336 3.003 20 0 CGADMM [O-]c1cc(F)c(NC(=S)NC2CCCCC2)c(F)c1 ZINC001200651032 811728010 /nfs/dbraw/zinc/72/80/10/811728010.db2.gz QHHKMNDNUIPSOZ-UHFFFAOYSA-N -1 1 286.347 3.290 20 0 CGADMM CCCCCCNC(=S)Nc1cccc(F)c1[O-] ZINC001200954969 811773276 /nfs/dbraw/zinc/77/32/76/811773276.db2.gz QRCSVAZBZJSGMJ-UHFFFAOYSA-N -1 1 270.373 3.398 20 0 CGADMM O=C(Nc1ccccc1)Nc1cc([O-])c(F)cc1F ZINC001201955198 811983025 /nfs/dbraw/zinc/98/30/25/811983025.db2.gz VQDRJQGOGSPQHB-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM Cc1cc(C)cc(NC(=O)NCC(=O)c2ccc([O-])cc2)c1 ZINC001202855459 812187850 /nfs/dbraw/zinc/18/78/50/812187850.db2.gz ZPGGBRATUWKSSQ-UHFFFAOYSA-N -1 1 298.342 3.013 20 0 CGADMM CCOc1ccc(-c2cc([N-]c3cnoc3)on2)cc1 ZINC001203231268 812274654 /nfs/dbraw/zinc/27/46/54/812274654.db2.gz FWVNJKPCVSCLOS-UHFFFAOYSA-N -1 1 271.276 3.472 20 0 CGADMM [O-]c1cc(Nc2cc3n[nH]cc3c(F)c2)cc(F)c1F ZINC001215557129 815533978 /nfs/dbraw/zinc/53/39/78/815533978.db2.gz RDWISQWSMVPNBM-UHFFFAOYSA-N -1 1 279.221 3.429 20 0 CGADMM Cc1cccc(N)c1Nc1cc(F)c([O-])cc1F ZINC001215573420 815538695 /nfs/dbraw/zinc/53/86/95/815538695.db2.gz JFBGPIBTGHOTGU-UHFFFAOYSA-N -1 1 250.248 3.305 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cccc4cccnc43)no2)nn1 ZINC001205299030 812939438 /nfs/dbraw/zinc/93/94/38/812939438.db2.gz JESRJSCOGDUCTL-UHFFFAOYSA-N -1 1 291.270 3.008 20 0 CGADMM CC(C)Cn1cc(Nc2cc3ccc([O-])cc3oc2=O)cn1 ZINC001205849998 813107027 /nfs/dbraw/zinc/10/70/27/813107027.db2.gz GADGUYZQLKZQOC-UHFFFAOYSA-N -1 1 299.330 3.095 20 0 CGADMM Cc1ccc(Nc2ccc(C(=O)[O-])cc2)c2cn[nH]c21 ZINC001215758397 815579644 /nfs/dbraw/zinc/57/96/44/815579644.db2.gz SJIJNMDNROYOHW-UHFFFAOYSA-N -1 1 267.288 3.313 20 0 CGADMM CC1(C)CN(Cc2ccc([O-])c(F)c2F)[C@@H]1C1CC1 ZINC001206117198 813205794 /nfs/dbraw/zinc/20/57/94/813205794.db2.gz YYOUXQMDQCEUFS-CQSZACIVSA-N -1 1 267.319 3.291 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3c(c2)OCC3)cc1F ZINC001206700459 813400951 /nfs/dbraw/zinc/40/09/51/813400951.db2.gz MSGRHLGUHQQMJI-UHFFFAOYSA-N -1 1 263.243 3.349 20 0 CGADMM Cc1cc(C)c(-n2[n-]c(=O)c3cc(N)ccc32)cc1C ZINC001209832934 814156565 /nfs/dbraw/zinc/15/65/65/814156565.db2.gz POXFROSTCHIXRJ-UHFFFAOYSA-N -1 1 267.332 3.239 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc(F)cc1O ZINC001210019798 814247625 /nfs/dbraw/zinc/24/76/25/814247625.db2.gz VOIBYLFGCTUKKK-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM Cc1cccc2ncc(Nc3cccc(CC(=O)[O-])c3)n21 ZINC001210068990 814271490 /nfs/dbraw/zinc/27/14/90/814271490.db2.gz IAWWIALRBVGPMH-UHFFFAOYSA-N -1 1 281.315 3.013 20 0 CGADMM CC(C)c1nnc([N-]c2cccc3ccncc32)o1 ZINC001210222399 814348194 /nfs/dbraw/zinc/34/81/94/814348194.db2.gz GBZMCBOFUSXVKW-UHFFFAOYSA-N -1 1 254.293 3.485 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cnn(C(F)(F)F)c1 ZINC001210362689 814421629 /nfs/dbraw/zinc/42/16/29/814421629.db2.gz NQOXKSBMIMMCBK-UHFFFAOYSA-N -1 1 279.168 3.087 20 0 CGADMM [O-]c1cc(Nc2cnc(C(F)(F)F)nc2)cc(F)c1F ZINC001210671723 814580209 /nfs/dbraw/zinc/58/02/09/814580209.db2.gz DHZSWCCBSCJWNE-UHFFFAOYSA-N -1 1 291.179 3.223 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccnc(OC2CC2)c1 ZINC001210747760 814607865 /nfs/dbraw/zinc/60/78/65/814607865.db2.gz WCSWTFJXPGLHJF-UHFFFAOYSA-N -1 1 277.711 3.120 20 0 CGADMM [O-]c1cc(Nc2cc(O)ccc2F)cc(F)c1F ZINC001210802043 814633618 /nfs/dbraw/zinc/63/36/18/814633618.db2.gz MHCIIBWKJRSAND-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cc(O)ccc1F ZINC001210800511 814633872 /nfs/dbraw/zinc/63/38/72/814633872.db2.gz VDVZLWRRBYDVBI-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM [O-]c1c(F)cc(Nc2cc(O)ccc2F)cc1F ZINC001210801930 814634185 /nfs/dbraw/zinc/63/41/85/814634185.db2.gz IYPHGBPMHPYULC-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM COC(=O)c1cc([O-])c(F)cc1N=C(C)c1ccccc1 ZINC001210990553 814700597 /nfs/dbraw/zinc/70/05/97/814700597.db2.gz INORBZGOMZEWTD-UHFFFAOYSA-N -1 1 287.290 3.401 20 0 CGADMM CCc1cc(C(=O)OC)c([N-]c2nccs2)s1 ZINC001210989942 814700977 /nfs/dbraw/zinc/70/09/77/814700977.db2.gz VOBIBOJDKGUXBG-UHFFFAOYSA-N -1 1 268.363 3.297 20 0 CGADMM [O-]c1cccc(-c2cc3n[nH]nc3cc2F)c1Cl ZINC001242800770 823137227 /nfs/dbraw/zinc/13/72/27/823137227.db2.gz ONFWXBROGPGALB-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM [O-]c1cccc(-c2cc(-c3nnco3)ccn2)c1Cl ZINC001242800870 823137550 /nfs/dbraw/zinc/13/75/50/823137550.db2.gz KRXCPWBJFRLQRG-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM COC(=O)c1ccc(-c2cccc([O-])c2Cl)c(C)n1 ZINC001242802732 823137732 /nfs/dbraw/zinc/13/77/32/823137732.db2.gz OQPBFDKUVNOWAD-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM O=c1cnc(-c2cccc([O-])c2Cl)cn1CC1CCC1 ZINC001242802027 823137888 /nfs/dbraw/zinc/13/78/88/823137888.db2.gz NAOXQYWXLJZURJ-UHFFFAOYSA-N -1 1 290.750 3.069 20 0 CGADMM Cc1occc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001211244997 814859127 /nfs/dbraw/zinc/85/91/27/814859127.db2.gz AIYWWTTXYNNURK-UHFFFAOYSA-N -1 1 255.277 3.223 20 0 CGADMM CCOC(=O)Cc1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211339379 814881918 /nfs/dbraw/zinc/88/19/18/814881918.db2.gz NVVPLTUKAMUQQC-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM C[C@H]1Oc2ccc(-c3cc(F)c([O-])cc3F)cc2NC1=O ZINC001211339872 814882015 /nfs/dbraw/zinc/88/20/15/814882015.db2.gz QALXPDUTADTZRI-SSDOTTSWSA-N -1 1 291.253 3.057 20 0 CGADMM COCc1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211352773 814884441 /nfs/dbraw/zinc/88/44/41/814884441.db2.gz OOANIUMGPFVHGZ-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM O=C1CCc2cccc(-c3cc(F)c([O-])cc3F)c2N1 ZINC001211353548 814885328 /nfs/dbraw/zinc/88/53/28/814885328.db2.gz XRHRDFJWTKTTJE-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM COc1ccc(CO)cc1Nc1cc([O-])c(Cl)cc1F ZINC001211525044 814901410 /nfs/dbraw/zinc/90/14/10/814901410.db2.gz MMTLNFBOQDXCMV-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM Cc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)c(OC(C)C)c1 ZINC001215879419 815622189 /nfs/dbraw/zinc/62/21/89/815622189.db2.gz NRASQOLWJIVQDH-UHFFFAOYSA-N -1 1 297.358 3.409 20 0 CGADMM Oc1cccc(Cl)c1[N-]c1nonc1C1CC1 ZINC001215984861 815652258 /nfs/dbraw/zinc/65/22/58/815652258.db2.gz ZFHGZNIIJBCBCP-UHFFFAOYSA-N -1 1 251.673 3.050 20 0 CGADMM CN(C)c1cc(F)cc(Nc2ccnc(Cl)c2[O-])c1 ZINC001216160059 815716480 /nfs/dbraw/zinc/71/64/80/815716480.db2.gz TZJMVMIIXRVSFJ-UHFFFAOYSA-N -1 1 281.718 3.389 20 0 CGADMM COc1c(O)cccc1Nc1c([O-])cc(F)cc1F ZINC001216350236 815796369 /nfs/dbraw/zinc/79/63/69/815796369.db2.gz NZHOVROTYUYRDV-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM CCOc1cc(Nc2cc([O-])c(F)c(F)c2)ccn1 ZINC001216626168 815881097 /nfs/dbraw/zinc/88/10/97/815881097.db2.gz RVIVQWGHTLXRQV-UHFFFAOYSA-N -1 1 266.247 3.208 20 0 CGADMM C[C@H](OCC[P@](=O)([O-])O)c1ccc(Cl)c(Cl)c1 ZINC001224604726 816832988 /nfs/dbraw/zinc/83/29/88/816832988.db2.gz FNXAZVSWAOTXLU-ZETCQYMHSA-N -1 1 299.090 3.249 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H](C(C)=O)c1ccccc1 ZINC001225619394 817115716 /nfs/dbraw/zinc/11/57/16/817115716.db2.gz UONMEXNFRIFJJJ-QGZVFWFLSA-N -1 1 284.311 3.304 20 0 CGADMM CC[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1F ZINC001225766429 817171706 /nfs/dbraw/zinc/17/17/06/817171706.db2.gz SUJCYXOHEWRFBN-JTQLQIEISA-N -1 1 280.324 3.140 20 0 CGADMM CC(=O)c1c[n-]c(=O)nc1O[C@H]1CC[C@@H](C(C)(C)C)CC1 ZINC001226237550 817306272 /nfs/dbraw/zinc/30/62/72/817306272.db2.gz JTPJPCTVSWNVCK-TXEJJXNPSA-N -1 1 292.379 3.369 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3CCC(F)(F)C3)c12 ZINC001226492598 817375203 /nfs/dbraw/zinc/37/52/03/817375203.db2.gz ZRBKJYDGXNVGBF-SNVBAGLBSA-N -1 1 296.269 3.374 20 0 CGADMM O=c1[n-]cncc1OC(c1ccccc1)c1ccccc1 ZINC001227044824 817541913 /nfs/dbraw/zinc/54/19/13/817541913.db2.gz HTKLXBVFFGSVJQ-UHFFFAOYSA-N -1 1 278.311 3.351 20 0 CGADMM CC[C@@H](Oc1cc([O-])ccc1C(=O)COC)C(C)C ZINC001227171310 817578188 /nfs/dbraw/zinc/57/81/88/817578188.db2.gz BKWUKGKUWRFJSM-CQSZACIVSA-N -1 1 266.337 3.035 20 0 CGADMM COc1ccccc1[C@@H](C)Oc1[n-]c(=S)ncc1F ZINC001227383827 817636509 /nfs/dbraw/zinc/63/65/09/817636509.db2.gz RWJZMCMUTLWUKP-MRVPVSSYSA-N -1 1 280.324 3.053 20 0 CGADMM C[C@H](Oc1[n-]c(=S)ncc1F)c1ccc(F)cc1 ZINC001227383704 817636572 /nfs/dbraw/zinc/63/65/72/817636572.db2.gz QMMPHOGPZJKEQL-ZETCQYMHSA-N -1 1 268.288 3.184 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1cccs1 ZINC001227384810 817636648 /nfs/dbraw/zinc/63/66/48/817636648.db2.gz GCOKPVKDJLCNRB-ZCFIWIBFSA-N -1 1 256.327 3.106 20 0 CGADMM COc1cccc([C@H](C)Oc2[n-]c(=S)ncc2F)c1 ZINC001227383237 817637538 /nfs/dbraw/zinc/63/75/38/817637538.db2.gz LGEKKEHAYLIRGB-QMMMGPOBSA-N -1 1 280.324 3.053 20 0 CGADMM CC[C@@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1ccccc1 ZINC001227713703 817701654 /nfs/dbraw/zinc/70/16/54/817701654.db2.gz QEOLLTRCPBVFQX-GXFFZTMASA-N -1 1 286.331 3.304 20 0 CGADMM S=c1nc2cnccc2c(O[C@@H]2C[C@H]3CC[C@@H]2C3)[n-]1 ZINC001227880740 817742566 /nfs/dbraw/zinc/74/25/66/817742566.db2.gz DKMRDACHARPJRA-YGOYTEALSA-N -1 1 273.361 3.255 20 0 CGADMM COc1cc2[nH]cnc2cc1-c1ccc(C)c(C(=O)[O-])c1 ZINC001243196637 823286234 /nfs/dbraw/zinc/28/62/34/823286234.db2.gz DFSPIAIPPUBCMS-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM CSc1nc(O[C@@H]2CCc3ccc(C)cc32)cc(=O)[n-]1 ZINC001228091415 817808717 /nfs/dbraw/zinc/80/87/17/817808717.db2.gz YWXCNEYFSQDFKV-GFCCVEGCSA-N -1 1 288.372 3.279 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CC[C@@H](C)C1 ZINC001228554501 817936574 /nfs/dbraw/zinc/93/65/74/817936574.db2.gz JYOYZGKIAWEHFA-MWLCHTKSSA-N -1 1 264.321 3.258 20 0 CGADMM [O-]c1cc(CN2CC(c3cccnc3)C2)ccc1Cl ZINC001231737804 818164356 /nfs/dbraw/zinc/16/43/56/818164356.db2.gz VUXPRPLHLUILBY-UHFFFAOYSA-N -1 1 274.751 3.040 20 0 CGADMM COc1ccc(CN2CCCC[C@](C)(F)C2)cc1C(=O)[O-] ZINC001231749699 818166176 /nfs/dbraw/zinc/16/61/76/818166176.db2.gz PHEVAWLTPPNFQZ-INIZCTEOSA-N -1 1 295.354 3.108 20 0 CGADMM [O-]c1c(F)ccc(CN2CC[C@@H](C(F)(F)F)C2)c1F ZINC001232934251 818475030 /nfs/dbraw/zinc/47/50/30/818475030.db2.gz DAGNWVBCNFWEEJ-MRVPVSSYSA-N -1 1 281.224 3.055 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@H]2c2ccccn2)c1F ZINC001232934191 818476059 /nfs/dbraw/zinc/47/60/59/818476059.db2.gz BCPACRIIWWFHFZ-AWEZNQCLSA-N -1 1 290.313 3.403 20 0 CGADMM CN(Cc1cccs1)Cc1ccc(F)c([O-])c1F ZINC001232936167 818477344 /nfs/dbraw/zinc/47/73/44/818477344.db2.gz QPZCWNMPFQIGBW-UHFFFAOYSA-N -1 1 269.316 3.364 20 0 CGADMM C[C@]1(F)CCCCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232970261 818488182 /nfs/dbraw/zinc/48/81/82/818488182.db2.gz HVJLTFMPLQPWDT-AWEZNQCLSA-N -1 1 273.298 3.385 20 0 CGADMM [O-]c1cc(CN2CCC[C@H](C(F)F)C2)cc(F)c1F ZINC001232973174 818488753 /nfs/dbraw/zinc/48/87/53/818488753.db2.gz PPJYHFXJGYZIAH-VIFPVBQESA-N -1 1 277.261 3.148 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCC[C@H]1c1nccs1 ZINC001233037822 818508962 /nfs/dbraw/zinc/50/89/62/818508962.db2.gz GDUIJUARZQFQNS-JTQLQIEISA-N -1 1 295.795 3.234 20 0 CGADMM COc1cnc(-c2ccc([O-])c(F)c2F)cc1C ZINC001243338227 823352095 /nfs/dbraw/zinc/35/20/95/823352095.db2.gz CPPVRODYVSYOMI-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM Cc1nc2ccc(-c3ccc([O-])c(F)c3F)cc2c(=O)o1 ZINC001243342085 823355626 /nfs/dbraw/zinc/35/56/26/823355626.db2.gz BMSBFIRQOVPFDM-UHFFFAOYSA-N -1 1 289.237 3.147 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OC[C@@H]1CCCCO1 ZINC001233651000 818670001 /nfs/dbraw/zinc/67/00/01/818670001.db2.gz VVFOSOREUAYFHT-ZDUSSCGKSA-N -1 1 278.348 3.323 20 0 CGADMM CCOC(=O)c1ccc(-c2ccc([O-])c(F)c2F)c(C)n1 ZINC001243341341 823356176 /nfs/dbraw/zinc/35/61/76/823356176.db2.gz OILKKPMZJGEZCI-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM CCCCC(CCCC)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233757406 818699063 /nfs/dbraw/zinc/69/90/63/818699063.db2.gz CRKJXRDEQBZQPC-UHFFFAOYSA-N -1 1 296.367 3.097 20 0 CGADMM CC(=O)N1CCc2cc(-c3ccc([O-])c(F)c3F)ccc21 ZINC001243343174 823358686 /nfs/dbraw/zinc/35/86/86/823358686.db2.gz XJRJBRWYJQKVAJ-UHFFFAOYSA-N -1 1 289.281 3.246 20 0 CGADMM O=C1OCc2cc(-c3ccc([O-])c(F)c3F)cc(F)c21 ZINC001243343412 823358872 /nfs/dbraw/zinc/35/88/72/823358872.db2.gz BGIJXJZBRFDDIW-UHFFFAOYSA-N -1 1 280.201 3.147 20 0 CGADMM Cc1c(-c2ccc([O-])c(F)c2F)ccc2nccn21 ZINC001243344065 823359088 /nfs/dbraw/zinc/35/90/88/823359088.db2.gz WXUOJFGZHILZJJ-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM CCOC(=O)c1cc(-c2ccc([O-])c(F)c2F)cnc1C ZINC001243342943 823359554 /nfs/dbraw/zinc/35/95/54/823359554.db2.gz QTOIWOVBRSNKQL-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM CCCC(CCC)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234607697 818891443 /nfs/dbraw/zinc/89/14/43/818891443.db2.gz GJFSCWYGHPFUFW-UHFFFAOYSA-N -1 1 285.315 3.061 20 0 CGADMM c1cc2[n-]c(O[C@H]3CCc4cccnc43)nc2s1 ZINC001234847547 818931985 /nfs/dbraw/zinc/93/19/85/818931985.db2.gz KDZXEIVCIJNSGM-JTQLQIEISA-N -1 1 257.318 3.086 20 0 CGADMM O=C([O-])C=Cc1ccc(-c2nccc3[nH]ccc32)cc1 ZINC001235029219 818982644 /nfs/dbraw/zinc/98/26/44/818982644.db2.gz PIEZSOLYGDGEKW-ZZXKWVIFSA-N -1 1 264.284 3.328 20 0 CGADMM CCOC(=O)c1cc(C)cnc1-c1c(F)ccc(C)c1[O-] ZINC001236391070 819447434 /nfs/dbraw/zinc/44/74/34/819447434.db2.gz HPKVWVDDOZWIJO-UHFFFAOYSA-N -1 1 289.306 3.387 20 0 CGADMM Cc1ccc(F)c(-c2cnc(OC(C)C)cn2)c1[O-] ZINC001236392388 819447834 /nfs/dbraw/zinc/44/78/34/819447834.db2.gz OPSKKGMJUJXVKO-UHFFFAOYSA-N -1 1 262.284 3.084 20 0 CGADMM Cc1ccc(F)c(-c2cc(O[C@H]3CCOC3)ccn2)c1[O-] ZINC001236415773 819460613 /nfs/dbraw/zinc/46/06/13/819460613.db2.gz SSSRJAPMWHHOQF-LBPRGKRZSA-N -1 1 289.306 3.069 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc(C2OCCO2)cc1 ZINC001243501865 823421840 /nfs/dbraw/zinc/42/18/40/823421840.db2.gz FCDVAWOQRZNKTQ-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM COC(=O)c1cccc(-c2cc(F)cc(F)c2[O-])c1F ZINC001243502630 823421881 /nfs/dbraw/zinc/42/18/81/823421881.db2.gz LOUOUAFUAIASJX-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COC(=O)Cc1ccc(-c2ccc(Cl)c([O-])c2)cc1 ZINC001243578497 823453044 /nfs/dbraw/zinc/45/30/44/823453044.db2.gz QIKPVYDSCLUYIH-UHFFFAOYSA-N -1 1 276.719 3.428 20 0 CGADMM O=C1NCc2cc(-c3ccc(Cl)c([O-])c3)cc(F)c21 ZINC001243580908 823453641 /nfs/dbraw/zinc/45/36/41/823453641.db2.gz GBWLONUWPJOBGI-UHFFFAOYSA-N -1 1 277.682 3.095 20 0 CGADMM CC(=O)Nc1ccc(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243581045 823453704 /nfs/dbraw/zinc/45/37/04/823453704.db2.gz KIRYRLCHGBJVNU-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM CCCNC(=O)c1cccnc1-c1ccc(Cl)c([O-])c1 ZINC001243579695 823452858 /nfs/dbraw/zinc/45/28/58/823452858.db2.gz XGRUQEIFIQZRLM-UHFFFAOYSA-N -1 1 290.750 3.247 20 0 CGADMM CN1C(=O)NCc2cc(-c3ccc(Cl)c([O-])c3)ccc21 ZINC001243581149 823454389 /nfs/dbraw/zinc/45/43/89/823454389.db2.gz FEBSSRZOFIXIKB-UHFFFAOYSA-N -1 1 288.734 3.372 20 0 CGADMM CNC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)cc1F ZINC001243584178 823455720 /nfs/dbraw/zinc/45/57/20/823455720.db2.gz SEBNXIXIMNYTLD-UHFFFAOYSA-N -1 1 279.698 3.211 20 0 CGADMM CCOC(=O)c1ncccc1-c1ccc(Cl)c([O-])c1 ZINC001243584737 823456156 /nfs/dbraw/zinc/45/61/56/823456156.db2.gz XAEFXYVCKQAMRN-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1ccc2nccn2n1 ZINC001243609199 823466304 /nfs/dbraw/zinc/46/63/04/823466304.db2.gz NGZUKPWVKPOYQA-UHFFFAOYSA-N -1 1 279.221 3.121 20 0 CGADMM [O-]c1ccc(F)cc1-c1ccc2nc(C(F)(F)F)[nH]c2n1 ZINC001240696072 821252925 /nfs/dbraw/zinc/25/29/25/821252925.db2.gz YPEQNYPEKPWNAS-UHFFFAOYSA-N -1 1 297.211 3.488 20 0 CGADMM [O-]c1ccc(-c2ncnc3[nH]c4c(c32)CCCC4)cc1F ZINC001240782367 821320614 /nfs/dbraw/zinc/32/06/14/821320614.db2.gz XSYRHVVNKXRQDW-UHFFFAOYSA-N -1 1 283.306 3.348 20 0 CGADMM CCCSc1ncnc(-c2ccc([O-])c(F)c2)c1OC ZINC001240786026 821324784 /nfs/dbraw/zinc/32/47/84/821324784.db2.gz IBBRLRWYGQOPMF-UHFFFAOYSA-N -1 1 294.351 3.499 20 0 CGADMM Cc1cc(-c2ccc(C(=O)[O-])s2)cc2nc[nH]c21 ZINC001240846594 821367660 /nfs/dbraw/zinc/36/76/60/821367660.db2.gz KTZBUVACTFCGED-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM C[S@@](=O)c1ccccc1-c1c(F)cc([O-])cc1F ZINC001241120757 821577541 /nfs/dbraw/zinc/57/75/41/821577541.db2.gz JRHVCNYOJOWTGQ-GOSISDBHSA-N -1 1 268.284 3.075 20 0 CGADMM Nc1ccc2cc(-c3c(F)cc([O-])cc3F)ccc2n1 ZINC001241122223 821578378 /nfs/dbraw/zinc/57/83/78/821578378.db2.gz YBWXWJSFJFFZGU-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM CC(=O)N1CCc2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241121738 821578431 /nfs/dbraw/zinc/57/84/31/821578431.db2.gz DZWOHFDZRXVRLC-UHFFFAOYSA-N -1 1 289.281 3.246 20 0 CGADMM COc1ccc(-c2c(F)cc([O-])cc2F)c(F)c1 ZINC001241122573 821578607 /nfs/dbraw/zinc/57/86/07/821578607.db2.gz TUQSUYHRMUVETB-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM O=C([O-])c1cc(-c2cccc3nc[nH]c32)ccc1F ZINC001241245757 821667250 /nfs/dbraw/zinc/66/72/50/821667250.db2.gz YPYDWSLEIOCCCO-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM Cn1c(=O)c(-c2cc([O-])cc(F)c2)cc2ccccc21 ZINC001241271917 821691694 /nfs/dbraw/zinc/69/16/94/821691694.db2.gz VXJVCVNIJYVKCX-UHFFFAOYSA-N -1 1 269.275 3.050 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc3ncccc32)c1F ZINC001241290672 821707748 /nfs/dbraw/zinc/70/77/48/821707748.db2.gz AJLYXZLDGZLXLM-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CC1(C)OC(=O)c2c1ccnc2-c1c(F)ccc([O-])c1F ZINC001241291716 821709370 /nfs/dbraw/zinc/70/93/70/821709370.db2.gz SQOYYCZWZADQIQ-UHFFFAOYSA-N -1 1 291.253 3.138 20 0 CGADMM COc1ccc(C)nc1-c1c(F)ccc([O-])c1F ZINC001241291906 821709647 /nfs/dbraw/zinc/70/96/47/821709647.db2.gz XFDMYZKNUKVNRD-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CCOC(=O)c1nc2cc(-c3c(C)noc3C)ccc2[n-]1 ZINC001242108954 822880542 /nfs/dbraw/zinc/88/05/42/822880542.db2.gz SLYZLJYOPTWWBY-UHFFFAOYSA-N -1 1 285.303 3.011 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3c(C)noc3C)cc2[n-]1 ZINC001242108954 822880547 /nfs/dbraw/zinc/88/05/47/822880547.db2.gz SLYZLJYOPTWWBY-UHFFFAOYSA-N -1 1 285.303 3.011 20 0 CGADMM Cc1nccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242147870 822894274 /nfs/dbraw/zinc/89/42/74/822894274.db2.gz GWQFZZLLACENPZ-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM Cc1cc(C)c(-c2ccc([O-])c(C(F)(F)F)c2)nn1 ZINC001242151574 822896031 /nfs/dbraw/zinc/89/60/31/822896031.db2.gz PZVVYSZIQFAKTQ-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM CCS(=O)(=O)c1ccc(F)c(-c2cccc(F)c2[O-])c1 ZINC001242352000 822962016 /nfs/dbraw/zinc/96/20/16/822962016.db2.gz HCQUIOPEJQERFD-UHFFFAOYSA-N -1 1 298.310 3.131 20 0 CGADMM CCOC(=O)c1cc(C)c(-c2cccc(F)c2[O-])cn1 ZINC001242352617 822962432 /nfs/dbraw/zinc/96/24/32/822962432.db2.gz AQULGUMBZAMBIB-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM O=C1OCc2cc(-c3cccc(Cl)c3[O-])ccc21 ZINC001242364369 822968064 /nfs/dbraw/zinc/96/80/64/822968064.db2.gz JPWXKSGKORYWEM-UHFFFAOYSA-N -1 1 260.676 3.383 20 0 CGADMM CCCN(C(=O)c1cnncc1[O-])[C@H](CC)c1ccccc1 ZINC001338817144 936334657 /nfs/dbraw/zinc/33/46/57/936334657.db2.gz RHIXGMNEGOEDSO-OAHLLOKOSA-N -1 1 299.374 3.186 20 0 CGADMM CN(Cc1cc2ccccc2[nH]1)C(=O)c1cc(F)ccc1[O-] ZINC001341586923 936443430 /nfs/dbraw/zinc/44/34/30/936443430.db2.gz MBLAYAYNWUFXKN-UHFFFAOYSA-N -1 1 298.317 3.285 20 0 CGADMM C[C@@H]1CCc2[n-]n(C3CCC(F)(F)CC3)c(=O)c2C1 ZINC001352108379 937036954 /nfs/dbraw/zinc/03/69/54/937036954.db2.gz AIJZQIVPPXONJX-KOLCDFICSA-N -1 1 270.323 3.199 20 0 CGADMM CC[C@H](C)[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000042435360 928203956 /nfs/dbraw/zinc/20/39/56/928203956.db2.gz CQRRHHBQUSADIS-IUCAKERBSA-N -1 1 255.745 3.210 20 0 CGADMM Cc1ccc(F)c(CSc2ncc(C)c(=O)[n-]2)c1F ZINC001363187838 937230713 /nfs/dbraw/zinc/23/07/13/937230713.db2.gz OOEFBDFODLYCDY-UHFFFAOYSA-N -1 1 282.315 3.370 20 0 CGADMM CC(C)[C@@H](C(=O)Nc1c[n-][nH]c1=O)c1cccc(Cl)c1 ZINC001364087077 937232900 /nfs/dbraw/zinc/23/29/00/937232900.db2.gz BQJYVJUSDIOGSH-GFCCVEGCSA-N -1 1 293.754 3.147 20 0 CGADMM CCC[C@@H](C(=O)Nc1c[n-][nH]c1=O)c1cccc(Cl)c1 ZINC001364158161 937232903 /nfs/dbraw/zinc/23/29/03/937232903.db2.gz ZICPOVQPFDWBMJ-LLVKDONJSA-N -1 1 293.754 3.291 20 0 CGADMM CC1(C)C[C@@]1([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC001438028887 937301545 /nfs/dbraw/zinc/30/15/45/937301545.db2.gz WKJVQJVRUPEUFX-CYBMUJFWSA-N -1 1 289.272 3.328 20 0 CGADMM CC(C)(C)CC(C)(C)NC(=O)c1ccc(F)c([O-])c1 ZINC001440937298 937335285 /nfs/dbraw/zinc/33/52/85/937335285.db2.gz BOUZCNMMPSYQEM-UHFFFAOYSA-N -1 1 267.344 3.476 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C1CCC1)c1ccc([O-])cn1 ZINC001443596683 937347693 /nfs/dbraw/zinc/34/76/93/937347693.db2.gz GLPXJQFSWUVBON-INIZCTEOSA-N -1 1 282.343 3.058 20 0 CGADMM CC(C)(NC(=O)c1ncccc1[O-])c1cccc(Cl)c1 ZINC001444526250 937352698 /nfs/dbraw/zinc/35/26/98/937352698.db2.gz MVIMWILFKZBRGS-UHFFFAOYSA-N -1 1 290.750 3.106 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2cccc([O-])c2F)[C@@H]1C ZINC001448659382 937376154 /nfs/dbraw/zinc/37/61/54/937376154.db2.gz JGZGJOMNKHGBBG-IJLUTSLNSA-N -1 1 279.355 3.333 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1ccc(F)s1 ZINC001449442814 937379592 /nfs/dbraw/zinc/37/95/92/937379592.db2.gz BXIONJZIYYBSNJ-UHFFFAOYSA-N -1 1 273.235 3.123 20 0 CGADMM C[C@@H](COCC1CC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001452892851 937399288 /nfs/dbraw/zinc/39/92/88/937399288.db2.gz RBKRFSSSPFBUGE-LBPRGKRZSA-N -1 1 299.370 3.090 20 0 CGADMM COc1ccc(/C=C/C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001454768147 937412075 /nfs/dbraw/zinc/41/20/75/937412075.db2.gz IIMHFNCIBOPXMR-JXMROGBWSA-N -1 1 287.290 3.192 20 0 CGADMM CC(C)c1ccc(NC(=O)c2ccc([O-])c(F)c2)cn1 ZINC001456086871 937425366 /nfs/dbraw/zinc/42/53/66/937425366.db2.gz JSEQYTZVRFLFQW-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM C/C=C/C=C\C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001456614142 937433075 /nfs/dbraw/zinc/43/30/75/937433075.db2.gz QRPOQFNIZDURSJ-IAROGAJJSA-N -1 1 255.676 3.256 20 0 CGADMM CCCCCC[C@@H](C)CC(=O)Nc1c[n-][nH]c1=O ZINC001457824888 937446304 /nfs/dbraw/zinc/44/63/04/937446304.db2.gz XWTPESCHSCWMQD-SNVBAGLBSA-N -1 1 253.346 3.050 20 0 CGADMM [O-]c1cc(OC2CCOCC2)c(Cl)cc1Cl ZINC001229409603 932147861 /nfs/dbraw/zinc/14/78/61/932147861.db2.gz FQTGFRDHOQCVIW-UHFFFAOYSA-N -1 1 263.120 3.257 20 0 CGADMM CCC[C@@H](Oc1nc(C(=O)OC)c[n-]1)c1ccccc1 ZINC001230282248 932551755 /nfs/dbraw/zinc/55/17/55/932551755.db2.gz SJMNQTDPFIMUFO-CYBMUJFWSA-N -1 1 274.320 3.117 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC001303586328 932828122 /nfs/dbraw/zinc/82/81/22/932828122.db2.gz RKCZNZBYRFJLHM-UHFFFAOYSA-N -1 1 298.302 3.100 20 0 CGADMM C[S@](=O)(=NC(=O)c1cccc([O-])c1F)C1CCCCC1 ZINC001303911444 932836334 /nfs/dbraw/zinc/83/63/34/932836334.db2.gz HISXOFLUBRZORO-HXUWFJFHSA-N -1 1 299.367 3.102 20 0 CGADMM Cc1sccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001306825202 932887812 /nfs/dbraw/zinc/88/78/12/932887812.db2.gz AHMDMUYQGWAISN-UHFFFAOYSA-N -1 1 268.725 3.063 20 0 CGADMM CCCCC1(C(=O)Nc2nc(Cl)ccc2[O-])CC1 ZINC001306827006 932888361 /nfs/dbraw/zinc/88/83/61/932888361.db2.gz NKNLUQXBVTYWNP-UHFFFAOYSA-N -1 1 268.744 3.350 20 0 CGADMM C[C@H]1CCCC[C@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001463586968 937677065 /nfs/dbraw/zinc/67/70/65/937677065.db2.gz QJOMGWXPAFNEIK-SMDDNHRTSA-N -1 1 284.359 3.249 20 0 CGADMM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc([O-])cn2)c1 ZINC001464390760 937690096 /nfs/dbraw/zinc/69/00/96/937690096.db2.gz GSVLPBCKZDTGGI-INIZCTEOSA-N -1 1 282.343 3.073 20 0 CGADMM CC[C@](C)(NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001465190096 937698671 /nfs/dbraw/zinc/69/86/71/937698671.db2.gz JOADQIDYEBJCSS-SFHVURJKSA-N -1 1 297.354 3.017 20 0 CGADMM O=C(N[C@@H]1CSc2ccccc21)c1ccc([O-])cc1F ZINC001465317474 937699949 /nfs/dbraw/zinc/69/99/49/937699949.db2.gz XMJMPUVBSOPMCY-CYBMUJFWSA-N -1 1 289.331 3.108 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCSC12CCCCC2 ZINC001467898921 937723251 /nfs/dbraw/zinc/72/32/51/937723251.db2.gz LLRPBJWQCNKTGE-UHFFFAOYSA-N -1 1 295.379 3.381 20 0 CGADMM O=C(Nc1nccc2ccccc21)c1ccccc1[O-] ZINC001468019087 937724156 /nfs/dbraw/zinc/72/41/56/937724156.db2.gz YHZYZXRCLBZDAF-UHFFFAOYSA-N -1 1 264.284 3.193 20 0 CGADMM O=C(NCC1(C2CCC2)CCC1)c1c([O-])cccc1F ZINC001468777869 937731443 /nfs/dbraw/zinc/73/14/43/937731443.db2.gz KUSGMLHSRKLCBR-UHFFFAOYSA-N -1 1 277.339 3.232 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2ccc(F)c([O-])c2)CC12CCC2 ZINC001468507624 937728643 /nfs/dbraw/zinc/72/86/43/937728643.db2.gz ODLCCCXJQRCVNW-CQSZACIVSA-N -1 1 277.339 3.182 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1Cc2ccc(F)cc21 ZINC001469161347 937735956 /nfs/dbraw/zinc/73/59/56/937735956.db2.gz LZGFZXHMQAZYFZ-NSHDSACASA-N -1 1 293.244 3.088 20 0 CGADMM CC1(C)CCC[C@@H](CNC(=O)c2c([O-])cccc2F)C1 ZINC001469045753 937734695 /nfs/dbraw/zinc/73/46/95/937734695.db2.gz PJWDLLGXPAHCAV-LLVKDONJSA-N -1 1 279.355 3.478 20 0 CGADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001322515011 934310475 /nfs/dbraw/zinc/31/04/75/934310475.db2.gz YWRHLJXFTKHADH-ZJUUUORDSA-N -1 1 298.180 3.385 20 0 CGADMM O=C(Nc1ccc2occc2c1)c1cnc(C2CC2)[n-]c1=O ZINC001471166619 937761964 /nfs/dbraw/zinc/76/19/64/937761964.db2.gz NMBWDUSWYMHFPT-UHFFFAOYSA-N -1 1 295.298 3.058 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cc(Cl)ccn2)c1 ZINC001472500731 937776919 /nfs/dbraw/zinc/77/69/19/937776919.db2.gz GAEZZTNGABMBDN-UHFFFAOYSA-N -1 1 294.763 3.415 20 0 CGADMM CC[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001324733945 934560242 /nfs/dbraw/zinc/56/02/42/934560242.db2.gz RDNJUKVHSNXZRA-VXNVDRBHSA-N -1 1 284.153 3.139 20 0 CGADMM Cc1cnc(SCc2nc(C(C)(C)C)co2)[n-]c1=O ZINC001473035421 937791021 /nfs/dbraw/zinc/79/10/21/937791021.db2.gz HDCKKRFWOLBXLE-UHFFFAOYSA-N -1 1 279.365 3.068 20 0 CGADMM O=C([O-])c1ccccc1-n1[nH]c(C2CCCCC2)cc1=O ZINC001329690215 935239942 /nfs/dbraw/zinc/23/99/42/935239942.db2.gz LLPALBCOEBWBQK-UHFFFAOYSA-N -1 1 286.331 3.058 20 0 CGADMM O=C(N[C@@H]1CCC[C@H](F)C1)c1c([O-])cccc1Cl ZINC001332483293 935472756 /nfs/dbraw/zinc/47/27/56/935472756.db2.gz DNFYXBDUWSAZHV-DTWKUNHWSA-N -1 1 271.719 3.056 20 0 CGADMM CN(CC(=O)C(C)(C)C)C(=O)c1cc2ccccc2cc1[O-] ZINC001337607885 936273693 /nfs/dbraw/zinc/27/36/93/936273693.db2.gz YUFPTDLYMLQSHQ-UHFFFAOYSA-N -1 1 299.370 3.233 20 0 CGADMM O=C(NC[C@H]1C[C@H]1Cc1ccccc1)c1ccc([O-])cc1F ZINC001520984425 938029119 /nfs/dbraw/zinc/02/91/19/938029119.db2.gz PUSYQTHCTIJRQM-ZIAGYGMSSA-N -1 1 299.345 3.140 20 0 CGADMM Cc1nocc1[N-]C(=O)c1cc(F)c(Cl)cc1F ZINC001530370220 938077406 /nfs/dbraw/zinc/07/74/06/938077406.db2.gz XFOAQKOJFATCOB-UHFFFAOYSA-N -1 1 272.638 3.167 20 0 CGADMM Cc1conc1[N-]C(=O)c1cc(-c2ccc(F)cc2)no1 ZINC001532005252 938084425 /nfs/dbraw/zinc/08/44/25/938084425.db2.gz KTAOPFAOALSVBR-UHFFFAOYSA-N -1 1 287.250 3.029 20 0 CGADMM C[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)[C@H](C)C(C)(C)C ZINC001538229930 938116438 /nfs/dbraw/zinc/11/64/38/938116438.db2.gz NGWDUUPRBMMVTB-BQBZGAKWSA-N -1 1 292.305 3.080 20 0 CGADMM O=C(Nc1ccccn1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001539936643 938127077 /nfs/dbraw/zinc/12/70/77/938127077.db2.gz KMOWXXSNKDYTIM-UHFFFAOYSA-N -1 1 282.221 3.058 20 0 CGADMM Cc1cc(C)cc(N(C)C(=O)c2ccc(F)c([O-])c2)c1 ZINC001542183196 938135214 /nfs/dbraw/zinc/13/52/14/938135214.db2.gz JGBYCPCGQZZQRT-UHFFFAOYSA-N -1 1 273.307 3.425 20 0 CGADMM O=C(c1ccc([O-])cn1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC001542374986 938135882 /nfs/dbraw/zinc/13/58/82/938135882.db2.gz FXYYRFGCQPIMBT-QGZVFWFLSA-N -1 1 294.354 3.079 20 0 CGADMM Cc1cnc(C(=O)NCCC(C)(C)c2ccccc2)c([O-])c1 ZINC001543629045 938140755 /nfs/dbraw/zinc/14/07/55/938140755.db2.gz XBPOXDJIGPCNDY-UHFFFAOYSA-N -1 1 298.386 3.193 20 0 CGADMM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001544810062 938147187 /nfs/dbraw/zinc/14/71/87/938147187.db2.gz ZLGSQWLRKHVLHI-STQMWFEESA-N -1 1 290.407 3.370 20 0 CGADMM CC[C@@H](C)c1ncc(NC(=O)c2ccc([O-])c(F)c2)cn1 ZINC001556352607 938203248 /nfs/dbraw/zinc/20/32/48/938203248.db2.gz SZLYBFWLCPHDOP-SECBINFHSA-N -1 1 289.310 3.087 20 0 CGADMM CSc1cccnc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001556920190 938206542 /nfs/dbraw/zinc/20/65/42/938206542.db2.gz GVMZTXQZOHGXDD-UHFFFAOYSA-N -1 1 296.298 3.040 20 0 CGADMM C[C@H](CC(=O)Nc1cc(F)cc(F)c1[O-])c1ccco1 ZINC001557086841 938207811 /nfs/dbraw/zinc/20/78/11/938207811.db2.gz IFYKNGJRAWRDFB-MRVPVSSYSA-N -1 1 281.258 3.396 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccnc(C2CC2)c1 ZINC001557086828 938207826 /nfs/dbraw/zinc/20/78/26/938207826.db2.gz HNZXWXFVJOZVMB-UHFFFAOYSA-N -1 1 290.269 3.195 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC(c2ccccc2)C1 ZINC001557909276 938212402 /nfs/dbraw/zinc/21/24/02/938212402.db2.gz PEFSAXQFQJOBSB-UHFFFAOYSA-N -1 1 287.746 3.285 20 0 CGADMM Cc1cc(NC(=O)c2ccc(F)c([O-])c2)cc(O)c1C ZINC001558138657 938213579 /nfs/dbraw/zinc/21/35/79/938213579.db2.gz BLHPMQZBKGENOK-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM O=C(Nc1ccc2c(n1)CCCC2)c1cccc([O-])c1F ZINC001558227213 938214400 /nfs/dbraw/zinc/21/44/00/938214400.db2.gz TWOLDIWWDMLGBE-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM CC(C)(/C=C\Cl)NC(=O)c1cc(Cl)ccc1[O-] ZINC001558424427 938215341 /nfs/dbraw/zinc/21/53/41/938215341.db2.gz IEVRMBSWNTXCDF-WAYWQWQTSA-N -1 1 274.147 3.307 20 0 CGADMM COc1ccc(CC(=O)Nc2ccc(F)cc2[O-])c(C)c1 ZINC001558955657 938218535 /nfs/dbraw/zinc/21/85/35/938218535.db2.gz CUGQVCBQADGFRS-UHFFFAOYSA-N -1 1 289.306 3.030 20 0 CGADMM CCN(CC1CC1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001565685682 960813127 /nfs/dbraw/zinc/81/31/27/960813127.db2.gz JTVVOLGKNRBWEN-UHFFFAOYSA-N -1 1 287.281 3.283 20 0 CGADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC001566247497 960913753 /nfs/dbraw/zinc/91/37/53/960913753.db2.gz LDGUVBGJMBZWGA-GXTWGEPZSA-N -1 1 297.395 3.325 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H](F)Cc1ccccc1 ZINC001570102321 961906285 /nfs/dbraw/zinc/90/62/85/961906285.db2.gz ZTLJVTVSFXPPSX-LBPRGKRZSA-N -1 1 295.260 3.190 20 0 CGADMM Cc1ccccc1CC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001570464385 961971079 /nfs/dbraw/zinc/97/10/79/961971079.db2.gz ABVQASFIFLVIGG-UHFFFAOYSA-N -1 1 277.270 3.160 20 0 CGADMM CCc1ccc(C)nc1NCc1ccc(C(=O)[O-])s1 ZINC001573954960 962290154 /nfs/dbraw/zinc/29/01/54/962290154.db2.gz SXMMOGNXALOULL-UHFFFAOYSA-N -1 1 276.361 3.324 20 0 CGADMM Nc1ccc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc1 ZINC001580443021 962727381 /nfs/dbraw/zinc/72/73/81/962727381.db2.gz PSAWHUQSCKDAND-UHFFFAOYSA-N -1 1 280.686 3.019 20 0 CGADMM Cc1cc(C)cc(CSc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001580907876 962756202 /nfs/dbraw/zinc/75/62/02/962756202.db2.gz NJEHLLJVRQGHAE-UHFFFAOYSA-N -1 1 297.387 3.171 20 0 CGADMM Cc1cc(C)cc(CSc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001580907876 962756214 /nfs/dbraw/zinc/75/62/14/962756214.db2.gz NJEHLLJVRQGHAE-UHFFFAOYSA-N -1 1 297.387 3.171 20 0 CGADMM CC1(C)CC[C@H](C(=O)[N-]Oc2ccc(F)cc2)C1 ZINC001584007688 962879124 /nfs/dbraw/zinc/87/91/24/962879124.db2.gz BNNNGFJLCUZAGY-JTQLQIEISA-N -1 1 251.301 3.062 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CC2(CCC2)c2c1cccc2F ZINC001584222457 962898978 /nfs/dbraw/zinc/89/89/78/962898978.db2.gz CIDBYRIZHFNFPH-UHFFFAOYSA-N -1 1 298.317 3.008 20 0 CGADMM CSc1ccc(Cl)c(NC(=O)c2cncc([O-])c2)c1 ZINC001584363997 962909583 /nfs/dbraw/zinc/90/95/83/962909583.db2.gz SBJSPZFFDDSPGF-UHFFFAOYSA-N -1 1 294.763 3.415 20 0 CGADMM Cc1ccc(N(C)C(=O)c2cccc([O-])c2F)cc1 ZINC001584306134 962909711 /nfs/dbraw/zinc/90/97/11/962909711.db2.gz IBKYOJPUXYHHCL-UHFFFAOYSA-N -1 1 259.280 3.116 20 0 CGADMM O=C(NCC(C1CCC1)C1CCC1)c1cccc([O-])c1F ZINC001585553268 963025284 /nfs/dbraw/zinc/02/52/84/963025284.db2.gz DLZYOHOEQWSINO-UHFFFAOYSA-N -1 1 291.366 3.478 20 0 CGADMM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001586471964 963110262 /nfs/dbraw/zinc/11/02/62/963110262.db2.gz SGGREAWJSLJMPY-GHMZBOCLSA-N -1 1 287.359 3.415 20 0 CGADMM Cc1ccc(CC[C@@H](C)NC(=O)c2cccc([O-])c2F)o1 ZINC001586848806 963142710 /nfs/dbraw/zinc/14/27/10/963142710.db2.gz NNNSEZSLUBBCDI-SNVBAGLBSA-N -1 1 291.322 3.184 20 0 CGADMM CCCC1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001587268396 963181047 /nfs/dbraw/zinc/18/10/47/963181047.db2.gz DQZNXJCBZNWYIG-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1ccc([O-])cn1 ZINC001587350555 963186448 /nfs/dbraw/zinc/18/64/48/963186448.db2.gz XTNXBKQSQFFHKL-GOSISDBHSA-N -1 1 298.386 3.174 20 0 CGADMM CCOc1cc(C(=O)Nc2ccsn2)cc(Cl)c1[O-] ZINC001588198909 963257849 /nfs/dbraw/zinc/25/78/49/963257849.db2.gz BKQFJYKYHZBPIW-UHFFFAOYSA-N -1 1 298.751 3.153 20 0 CGADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cn1 ZINC001589131173 963349524 /nfs/dbraw/zinc/34/95/24/963349524.db2.gz CZMWXCVAKHGZEB-SNVBAGLBSA-N -1 1 290.750 3.284 20 0 CGADMM O=C(NC[C@H]1C=CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001589164232 963349696 /nfs/dbraw/zinc/34/96/96/963349696.db2.gz XOEGPVBNQNJHPE-VIFPVBQESA-N -1 1 285.265 3.107 20 0 CGADMM CC(C)C[C@H](C)CSc1cccnc1-c1nnn[n-]1 ZINC001589549800 964002378 /nfs/dbraw/zinc/00/23/78/964002378.db2.gz HYORKLNLHNGXJY-JTQLQIEISA-N -1 1 277.397 3.036 20 0 CGADMM CC(C)C[C@H](C)CSc1cccnc1-c1nn[n-]n1 ZINC001589549800 964002384 /nfs/dbraw/zinc/00/23/84/964002384.db2.gz HYORKLNLHNGXJY-JTQLQIEISA-N -1 1 277.397 3.036 20 0 CGADMM CCCc1nc(C)cc(OCCCCF)c1C(=O)[O-] ZINC001596089222 983411646 /nfs/dbraw/zinc/41/16/46/983411646.db2.gz DUEUJTDHDDOEPW-UHFFFAOYSA-N -1 1 269.316 3.169 20 0 CGADMM Cc1[nH]c(CN2Cc3ccccc3[C@H](C)C2)cc1C(=O)[O-] ZINC001599964792 985881219 /nfs/dbraw/zinc/88/12/19/985881219.db2.gz VXZICDNRLQASES-LLVKDONJSA-N -1 1 284.359 3.141 20 0 CGADMM CCc1ccc(C)nc1NC1CCC(CC(=O)[O-])CC1 ZINC001597514595 988122344 /nfs/dbraw/zinc/12/23/44/988122344.db2.gz QIZBGYCLVFMAGP-UHFFFAOYSA-N -1 1 276.380 3.398 20 0 CGADMM CCc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC001597586194 988401554 /nfs/dbraw/zinc/40/15/54/988401554.db2.gz AGHOARGHJYVDAM-MRXNPFEDSA-N -1 1 287.334 3.304 20 0 CGADMM CCc1cnccc1[C@@H](C)N[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001597637182 988622676 /nfs/dbraw/zinc/62/26/76/988622676.db2.gz YHJKDTJIKJCFKM-NWDGAFQWSA-N -1 1 299.374 3.149 20 0 CGADMM CCc1oc(CN2CC(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC001597796763 989356063 /nfs/dbraw/zinc/35/60/63/989356063.db2.gz QXQNGOAVJLXQDV-UHFFFAOYSA-N -1 1 299.370 3.215 20 0 CGADMM C[C@@H](NC/C=C\c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593258217 994538891 /nfs/dbraw/zinc/53/88/91/994538891.db2.gz XTDAXJLOFDPJEC-VVEJJEBESA-N -1 1 271.316 3.342 20 0 CGADMM CC1(C)CCC[C@@](NCc2cnc(C3CC3)o2)(C(=O)[O-])C1 ZINC001593896244 996751979 /nfs/dbraw/zinc/75/19/79/996751979.db2.gz SPBKHTJEKXVAHY-INIZCTEOSA-N -1 1 292.379 3.065 20 0 CGADMM C[C@]1(F)CCCN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)C1 ZINC001594044689 997687915 /nfs/dbraw/zinc/68/79/15/997687915.db2.gz BHIRFNFEGAGCBE-INIZCTEOSA-N -1 1 291.366 3.127 20 0 CGADMM C[C@@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1nc(C(=O)[O-])co1 ZINC001594356750 999348408 /nfs/dbraw/zinc/34/84/08/999348408.db2.gz ZJALSZOKGSPVFK-KXNHARMFSA-N -1 1 280.368 3.238 20 0 CGADMM CCC1(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000622416422 349677735 /nfs/dbraw/zinc/67/77/35/349677735.db2.gz BKPFJJLPMOHUPV-UHFFFAOYSA-N -1 1 287.281 3.331 20 0 CGADMM CCc1cc(=O)[n-]c(SCCOCC2CCCC2)n1 ZINC000413001539 529566882 /nfs/dbraw/zinc/56/68/82/529566882.db2.gz CWCPGDPOIQJOKG-UHFFFAOYSA-N -1 1 282.409 3.044 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ncc(Cl)s2)n1 ZINC000436188293 529567416 /nfs/dbraw/zinc/56/74/16/529567416.db2.gz MSVLZTUWRHGJST-UHFFFAOYSA-N -1 1 287.797 3.147 20 0 CGADMM CCc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)c([O-])c1 ZINC000436802833 529610299 /nfs/dbraw/zinc/61/02/99/529610299.db2.gz KUYOOHPWHPEJQZ-UHFFFAOYSA-N -1 1 283.327 3.410 20 0 CGADMM Cc1cccc(C[N@@H+](CC(=O)[O-])Cc2ccccc2)c1 ZINC000032117263 344930043 /nfs/dbraw/zinc/93/00/43/344930043.db2.gz IDHOKIQMIKBBAZ-UHFFFAOYSA-N -1 1 269.344 3.082 20 0 CGADMM Cc1cccc(CN(CC(=O)[O-])Cc2ccccc2)c1 ZINC000032117263 344930045 /nfs/dbraw/zinc/93/00/45/344930045.db2.gz IDHOKIQMIKBBAZ-UHFFFAOYSA-N -1 1 269.344 3.082 20 0 CGADMM CN(CC1CC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000037870855 344953227 /nfs/dbraw/zinc/95/32/27/344953227.db2.gz JNOZKUAOZDPUIE-UHFFFAOYSA-N -1 1 255.317 3.027 20 0 CGADMM CCN(Cc1cccs1)Cc1ccoc1C(=O)[O-] ZINC000042487896 344984269 /nfs/dbraw/zinc/98/42/69/344984269.db2.gz SIZHXQGOGVRCRR-UHFFFAOYSA-N -1 1 265.334 3.061 20 0 CGADMM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccc(F)cc1 ZINC000091780920 345823138 /nfs/dbraw/zinc/82/31/38/345823138.db2.gz SMTVPNZVPZKMQA-JTQLQIEISA-N -1 1 277.295 3.310 20 0 CGADMM O=C(Nc1ccncc1[O-])c1cc2cc(Cl)ccc2[nH]1 ZINC000109891511 345943842 /nfs/dbraw/zinc/94/38/42/345943842.db2.gz QVTSMOBBASFFAG-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000129348463 346048317 /nfs/dbraw/zinc/04/83/17/346048317.db2.gz MABGWGZKCCCPQB-MFKMUULPSA-N -1 1 297.782 3.034 20 0 CGADMM Cc1sc(C(=O)[O-])cc1C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000133104222 346075898 /nfs/dbraw/zinc/07/58/98/346075898.db2.gz KSECHHRFINDURB-IUCAKERBSA-N -1 1 285.434 3.081 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN1CCc2sccc2C1 ZINC000155950172 346156277 /nfs/dbraw/zinc/15/62/77/346156277.db2.gz NXNILZSOHXBOID-UHFFFAOYSA-N -1 1 293.413 3.375 20 0 CGADMM CC(C)Cn1ccnc1CNCc1cccc([O-])c1Cl ZINC000339282300 215064223 /nfs/dbraw/zinc/06/42/23/215064223.db2.gz YEGGYGQZOGAAQW-UHFFFAOYSA-N -1 1 293.798 3.188 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cccc2cc[nH]c21 ZINC000608365174 348301642 /nfs/dbraw/zinc/30/16/42/348301642.db2.gz AAYINSLNLLRTPK-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cccc2ncccc21 ZINC000608367196 348302400 /nfs/dbraw/zinc/30/24/00/348302400.db2.gz MJRPMXNBTHVYHQ-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccco1 ZINC000608490721 348312697 /nfs/dbraw/zinc/31/26/97/348312697.db2.gz JLVSJMATYXJLCZ-MRVPVSSYSA-N -1 1 265.696 3.381 20 0 CGADMM CCN1C(=O)N=NC1SCCc1ccc2ccccc2c1 ZINC000358013353 233036377 /nfs/dbraw/zinc/03/63/77/233036377.db2.gz KUBZCVVXQUYMMC-UHFFFAOYSA-N -1 1 299.399 3.492 20 0 CGADMM CCCc1c(C)[n-]n(-c2cccc3ncccc32)c1=O ZINC000614186744 348657022 /nfs/dbraw/zinc/65/70/22/348657022.db2.gz HVMDHNNOGNXENV-LBPRGKRZSA-N -1 1 267.332 3.374 20 0 CGADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613626378 348624172 /nfs/dbraw/zinc/62/41/72/348624172.db2.gz NEFLPGQUMVAFSU-FZMZJTMJSA-N -1 1 284.359 3.201 20 0 CGADMM CC(=O)[C@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000615525269 348746861 /nfs/dbraw/zinc/74/68/61/348746861.db2.gz QBKZDMVXOBRNEF-MRXNPFEDSA-N -1 1 297.354 3.129 20 0 CGADMM CCOc1cc(C(=O)N(CC)C2CC2)cc(Cl)c1[O-] ZINC000273968116 192382432 /nfs/dbraw/zinc/38/24/32/192382432.db2.gz QUEKRLUJXQYIQT-UHFFFAOYSA-N -1 1 283.755 3.069 20 0 CGADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncc2ccccc2c1[O-] ZINC000620436961 349372381 /nfs/dbraw/zinc/37/23/81/349372381.db2.gz IXBDZYKDLJZWMF-QXMXGUDHSA-N -1 1 296.370 3.344 20 0 CGADMM C[C@H]1C[C@@H](CNC(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000271284542 191050986 /nfs/dbraw/zinc/05/09/86/191050986.db2.gz ATXLYTOHADPUNH-STQMWFEESA-N -1 1 299.370 3.090 20 0 CGADMM O=c1[nH]c(-c2cc([O-])cc(Cl)c2)nc2ccccc12 ZINC000352207562 219359717 /nfs/dbraw/zinc/35/97/17/219359717.db2.gz ZKFZLIMPSFGENK-UHFFFAOYSA-N -1 1 272.691 3.361 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCCC(F)(F)CC1 ZINC000628637080 350581531 /nfs/dbraw/zinc/58/15/31/350581531.db2.gz LRVCDGJBCCQOIZ-UHFFFAOYSA-N -1 1 289.709 3.307 20 0 CGADMM CCC(C)(CC)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378484 350684139 /nfs/dbraw/zinc/68/41/39/350684139.db2.gz YMHNDPQNVFMYJN-UHFFFAOYSA-N -1 1 287.363 3.343 20 0 CGADMM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000629378877 350684840 /nfs/dbraw/zinc/68/48/40/350684840.db2.gz XQDYVYNNWWNNGN-CHWSQXEVSA-N -1 1 299.374 3.343 20 0 CGADMM CC1(C)CCC[C@@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629379403 350685175 /nfs/dbraw/zinc/68/51/75/350685175.db2.gz PAGSOCWRVAYRCG-CQSZACIVSA-N -1 1 299.374 3.343 20 0 CGADMM Cc1scc(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c1C ZINC000630455574 350842413 /nfs/dbraw/zinc/84/24/13/350842413.db2.gz DFSNARNSODPGDA-MFKMUULPSA-N -1 1 299.436 3.111 20 0 CGADMM Cc1nc(SCC2CCC(=O)CC2)[n-]c(=O)c1C1CC1 ZINC000631023125 350926462 /nfs/dbraw/zinc/92/64/62/350926462.db2.gz IOEWCMBNQKFFSL-UHFFFAOYSA-N -1 1 292.404 3.219 20 0 CGADMM Cc1nc(S[C@@H](C)c2csnn2)[n-]c(=O)c1C1CC1 ZINC000631022849 350926971 /nfs/dbraw/zinc/92/69/71/350926971.db2.gz AWWORNJKQBCWHJ-ZETCQYMHSA-N -1 1 294.405 3.073 20 0 CGADMM CCC[C@H](C)N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630734998 350881050 /nfs/dbraw/zinc/88/10/50/350881050.db2.gz MHGHWNYBDSQGLQ-JTQLQIEISA-N -1 1 269.772 3.235 20 0 CGADMM CC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCCCC1 ZINC000630808204 350891141 /nfs/dbraw/zinc/89/11/41/350891141.db2.gz RXJZXCFVIANMOY-UHFFFAOYSA-N -1 1 281.783 3.427 20 0 CGADMM C[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000631297619 351018739 /nfs/dbraw/zinc/01/87/39/351018739.db2.gz IDOHXKUFZQCSDL-JTQLQIEISA-N -1 1 281.783 3.283 20 0 CGADMM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632363064 351195380 /nfs/dbraw/zinc/19/53/80/351195380.db2.gz BIGGMFNOJKIGDV-UHFFFAOYSA-N -1 1 295.351 3.320 20 0 CGADMM C[C@@H](CC(F)(F)F)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632495541 351201254 /nfs/dbraw/zinc/20/12/54/351201254.db2.gz XCTUYJRMYRLUFM-ZETCQYMHSA-N -1 1 295.688 3.045 20 0 CGADMM CC[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000632719826 351210702 /nfs/dbraw/zinc/21/07/02/351210702.db2.gz LTBKAXAPQIJNIA-JTQLQIEISA-N -1 1 295.688 3.045 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC[C@H]1CC=CCC1 ZINC000633683208 351345787 /nfs/dbraw/zinc/34/57/87/351345787.db2.gz CMOTUMLGBSJLAL-LBPRGKRZSA-N -1 1 293.794 3.451 20 0 CGADMM CCc1[n-]n(-c2ccncc2Cl)c(=O)c1C(C)C ZINC000634609002 351541415 /nfs/dbraw/zinc/54/14/15/351541415.db2.gz SYGTWGQTZTWXNV-LBPRGKRZSA-N -1 1 265.744 3.120 20 0 CGADMM Cc1[n-]n(-c2ccc(Cl)c(F)c2)c(=O)c1C1CC1 ZINC000634616359 351544717 /nfs/dbraw/zinc/54/47/17/351544717.db2.gz KEGRTMRJVRLRSY-GFCCVEGCSA-N -1 1 266.703 3.228 20 0 CGADMM Cc1[n-]n([C@H](Cc2ccccc2)C(C)C)c(=O)c1C ZINC000634621182 351546874 /nfs/dbraw/zinc/54/68/74/351546874.db2.gz BLKDNVWRPVZHMR-IUODEOHRSA-N -1 1 258.365 3.108 20 0 CGADMM CCCc1[n-]n(-c2ccc3n[nH]cc3c2)c(=O)c1CC ZINC000634620972 351546966 /nfs/dbraw/zinc/54/69/66/351546966.db2.gz VTLDDRIPYARBSL-LBPRGKRZSA-N -1 1 270.336 3.092 20 0 CGADMM C[C@H](CN(C)C(=O)c1ccc([O-])c(F)c1)C(C)(C)C ZINC000636430938 351757127 /nfs/dbraw/zinc/75/71/27/351757127.db2.gz OFUMVSLMXZVMHN-SNVBAGLBSA-N -1 1 267.344 3.286 20 0 CGADMM CC(C)Sc1ccccc1[N-]C(=O)c1cnns1 ZINC000122403693 187030532 /nfs/dbraw/zinc/03/05/32/187030532.db2.gz LEOKPOASDCQQSW-UHFFFAOYSA-N -1 1 279.390 3.291 20 0 CGADMM Cc1cc(C(=O)[N-]c2c(C)noc2-c2ccccc2)no1 ZINC000122632349 187042148 /nfs/dbraw/zinc/04/21/48/187042148.db2.gz HTBCSHNLIDFZHI-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM CC(=O)CCCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000122669542 187045002 /nfs/dbraw/zinc/04/50/02/187045002.db2.gz HUNFWQPMYVTFHH-UHFFFAOYSA-N -1 1 294.298 3.052 20 0 CGADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC000152309950 188008786 /nfs/dbraw/zinc/00/87/86/188008786.db2.gz KBJHAQRIZTVULO-LBPRGKRZSA-N -1 1 299.370 3.090 20 0 CGADMM CC1(/C=C/C(=O)Nc2ccc([O-])c(Cl)c2)CCOCC1 ZINC000493645815 535270106 /nfs/dbraw/zinc/27/01/06/535270106.db2.gz HIHQWYDWVPLYBS-SNAWJCMRSA-N -1 1 295.766 3.357 20 0 CGADMM COc1cc(C(=O)N(C)c2ccccc2)cc(Cl)c1[O-] ZINC000336340962 213189358 /nfs/dbraw/zinc/18/93/58/213189358.db2.gz UAMVECSRSFNXOS-UHFFFAOYSA-N -1 1 291.734 3.331 20 0 CGADMM CCC(CC)N(CC(C)C)C(=O)c1ncccc1[O-] ZINC000093325921 138345661 /nfs/dbraw/zinc/34/56/61/138345661.db2.gz ACHCDWGZPYQHIH-UHFFFAOYSA-N -1 1 264.369 3.074 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(C2CC2)no1 ZINC000336311507 213153830 /nfs/dbraw/zinc/15/38/30/213153830.db2.gz GBEAJMDOEZZPDD-UHFFFAOYSA-N -1 1 278.695 3.163 20 0 CGADMM O=C([O-])c1ccc(CNCc2cc(F)c(F)cc2F)cc1 ZINC000426683301 236306400 /nfs/dbraw/zinc/30/64/00/236306400.db2.gz QRSMOCCJIVHJMC-UHFFFAOYSA-N -1 1 295.260 3.092 20 0 CGADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc(C)c2)o1 ZINC000426800211 236315725 /nfs/dbraw/zinc/31/57/25/236315725.db2.gz NPGUQCLRZISLHN-CQSZACIVSA-N -1 1 273.332 3.202 20 0 CGADMM Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436667553 237158598 /nfs/dbraw/zinc/15/85/98/237158598.db2.gz ZEDVYTZYYIJYFO-CYBMUJFWSA-N -1 1 297.354 3.069 20 0 CGADMM O=C(N[C@@H]1CCCc2occc21)c1cc(Cl)ccc1[O-] ZINC000436763725 237179849 /nfs/dbraw/zinc/17/98/49/237179849.db2.gz ZLVGWPTVAVMIBQ-GFCCVEGCSA-N -1 1 291.734 3.446 20 0 CGADMM O=C(NCCCc1ccccc1F)c1c([O-])cccc1F ZINC000436910398 237206739 /nfs/dbraw/zinc/20/67/39/237206739.db2.gz CPXFREWQGZDYHG-UHFFFAOYSA-N -1 1 291.297 3.033 20 0 CGADMM C[C@@H](C1CC1)N(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000298281341 200382094 /nfs/dbraw/zinc/38/20/94/200382094.db2.gz BOZBQHUWMGVPRH-VIFPVBQESA-N -1 1 279.767 3.449 20 0 CGADMM CC1CCC(C)(NC(=O)c2ccc([O-])cc2F)CC1 ZINC000181933799 189310046 /nfs/dbraw/zinc/31/00/46/189310046.db2.gz GVXYLKHCMURXKT-UHFFFAOYSA-N -1 1 265.328 3.230 20 0 CGADMM CC[C@](C)(NC(=O)c1ccc([O-])cc1F)c1nccs1 ZINC000181991645 189311742 /nfs/dbraw/zinc/31/17/42/189311742.db2.gz KIRMCFVTUNMICZ-AWEZNQCLSA-N -1 1 294.351 3.043 20 0 CGADMM COCCC[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182678944 189330802 /nfs/dbraw/zinc/33/08/02/189330802.db2.gz NLGFTNUXUITOLG-VIFPVBQESA-N -1 1 271.744 3.047 20 0 CGADMM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451576581 240328904 /nfs/dbraw/zinc/32/89/04/240328904.db2.gz UMYSTDQFUDLHLE-GFCCVEGCSA-N -1 1 297.351 3.039 20 0 CGADMM CCn1cc([N-]c2nc(-c3ccccc3)ns2)cn1 ZINC000121763100 370892718 /nfs/dbraw/zinc/89/27/18/370892718.db2.gz PYEDJZKVZDYFBY-UHFFFAOYSA-N -1 1 271.349 3.165 20 0 CGADMM O=C(NCc1cc(F)cc(F)c1)c1cc(Cl)ccc1[O-] ZINC000030162805 368900629 /nfs/dbraw/zinc/90/06/29/368900629.db2.gz HZGNMLYXSKZAKS-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000030016566 368901150 /nfs/dbraw/zinc/90/11/50/368901150.db2.gz WHUZVSGDUKKJNX-KOLCDFICSA-N -1 1 267.756 3.354 20 0 CGADMM C[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000037912282 369125439 /nfs/dbraw/zinc/12/54/39/369125439.db2.gz QTLISRRHFCYUIA-NSHDSACASA-N -1 1 255.317 3.170 20 0 CGADMM O=C(NCCc1ccsc1)c1ccc(Cl)cc1[O-] ZINC000042240223 369207534 /nfs/dbraw/zinc/20/75/34/369207534.db2.gz NKIKPZJJCAHJJW-UHFFFAOYSA-N -1 1 281.764 3.080 20 0 CGADMM C[C@@H]1CSCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000070222686 369790961 /nfs/dbraw/zinc/79/09/61/369790961.db2.gz XSRWXTYTOVIQMD-LLVKDONJSA-N -1 1 287.384 3.123 20 0 CGADMM COc1ccc(Cl)c(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000132881327 371208983 /nfs/dbraw/zinc/20/89/83/371208983.db2.gz QSOPTMOGFSUSTE-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM O=C(Cc1c(F)cccc1Cl)[N-]OC1CCCC1 ZINC000135132433 371392776 /nfs/dbraw/zinc/39/27/76/371392776.db2.gz ZFGAWTBRWHJOEY-UHFFFAOYSA-N -1 1 271.719 3.012 20 0 CGADMM O=c1cc(C(F)F)nc(S[C@@H]2C=CCCC2)[n-]1 ZINC000289624560 371776232 /nfs/dbraw/zinc/77/62/32/371776232.db2.gz VIQAYXYMHRLOJH-SSDOTTSWSA-N -1 1 258.293 3.321 20 0 CGADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCC1(F)F ZINC000290796678 372053612 /nfs/dbraw/zinc/05/36/12/372053612.db2.gz DIPSZKGGFGGZPT-QMMMGPOBSA-N -1 1 289.709 3.163 20 0 CGADMM CCCC[C@H](C)N(C)C(=O)c1ccc([O-])cc1F ZINC000291280330 372153187 /nfs/dbraw/zinc/15/31/87/372153187.db2.gz ONZLRSRAPQJSEE-JTQLQIEISA-N -1 1 253.317 3.182 20 0 CGADMM C[C@@H](c1nc(-c2ccc([O-])cc2F)no1)C(C)(F)F ZINC000293319118 372353393 /nfs/dbraw/zinc/35/33/93/372353393.db2.gz XXTXHGLXOGDWNC-LURJTMIESA-N -1 1 272.226 3.340 20 0 CGADMM O=C([O-])C[C@@H]1CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000165666612 372556647 /nfs/dbraw/zinc/55/66/47/372556647.db2.gz ZNXGCQDBUQKCDE-JTQLQIEISA-N -1 1 285.746 3.166 20 0 CGADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])[C@H]2CCC[C@H]21 ZINC000294118534 372586487 /nfs/dbraw/zinc/58/64/87/372586487.db2.gz CGAARVYGVLGXKH-OLZOCXBDSA-N -1 1 277.339 3.182 20 0 CGADMM O=C(Nc1cccc(Cl)c1[O-])c1cccc2cn[nH]c21 ZINC000172111210 372908571 /nfs/dbraw/zinc/90/85/71/372908571.db2.gz WLBXLUZFKHPJKV-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM CC[C@H](C)[C@H](NC(=O)c1cc(F)ccc1[O-])C(F)(F)F ZINC000444562704 373200360 /nfs/dbraw/zinc/20/03/60/373200360.db2.gz WDGJEOWRFDYMPQ-CPCISQLKSA-N -1 1 293.260 3.238 20 0 CGADMM COc1ccc(C(=O)N(CC2CC2)c2ccccc2)c([O-])c1 ZINC000175387934 373461902 /nfs/dbraw/zinc/46/19/02/373461902.db2.gz NRIUDXLLDJNJHX-UHFFFAOYSA-N -1 1 297.354 3.458 20 0 CGADMM Cc1nc(-c2ccc(N3CCCCCC3)nc2)[n-]c(=O)c1C ZINC000301177074 373683801 /nfs/dbraw/zinc/68/38/01/373683801.db2.gz MKWXMYJLLBJGFW-UHFFFAOYSA-N -1 1 298.390 3.241 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC12CCC2 ZINC000335866963 296206234 /nfs/dbraw/zinc/20/62/34/296206234.db2.gz RPERNJNYGKGAMJ-UHFFFAOYSA-N -1 1 285.265 3.180 20 0 CGADMM O=C(Nc1ccc2cccc(Cl)c2n1)c1cncc([O-])c1 ZINC000181336744 374110318 /nfs/dbraw/zinc/11/03/18/374110318.db2.gz NQPBWRALLFEHJX-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCC2(CCC2)CC1 ZINC000308726471 374175737 /nfs/dbraw/zinc/17/57/37/374175737.db2.gz LOJIHONOLRSGFS-UHFFFAOYSA-N -1 1 279.767 3.452 20 0 CGADMM Cc1ccoc1CN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000311762116 374255031 /nfs/dbraw/zinc/25/50/31/374255031.db2.gz FAXHYANMBHQFLQ-UHFFFAOYSA-N -1 1 279.723 3.219 20 0 CGADMM CO[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])[C@H](C)C1 ZINC000320061193 374349284 /nfs/dbraw/zinc/34/92/84/374349284.db2.gz VLHWAXLSEDQUCP-IUODEOHRSA-N -1 1 299.370 3.185 20 0 CGADMM Cc1csc(-c2nc(=O)c3c(C)c(C)sc3[n-]2)n1 ZINC000183638787 374439010 /nfs/dbraw/zinc/43/90/10/374439010.db2.gz NTNJPNADAGSRKG-UHFFFAOYSA-N -1 1 277.374 3.033 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000331204508 374512558 /nfs/dbraw/zinc/51/25/58/374512558.db2.gz OIFPYPRKKOOABV-ZFWWWQNUSA-N -1 1 296.370 3.114 20 0 CGADMM Cc1ccc(F)cc1NC(=O)c1c(F)ccc([O-])c1F ZINC000334180136 206153910 /nfs/dbraw/zinc/15/39/10/206153910.db2.gz ADOFAIHDRUPZRD-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CC2CCC1CC2 ZINC000456790852 374625692 /nfs/dbraw/zinc/62/56/92/374625692.db2.gz WMKXCYZGEMDUNU-UDNWOFFPSA-N -1 1 281.302 3.435 20 0 CGADMM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cncc([O-])c1 ZINC000334228629 206220989 /nfs/dbraw/zinc/22/09/89/206220989.db2.gz HCWAFQQIGJFBNY-DZGCQCFKSA-N -1 1 296.370 3.196 20 0 CGADMM O=C(NC1CCC(C(F)F)CC1)c1c([O-])cccc1F ZINC000458177239 374712885 /nfs/dbraw/zinc/71/28/85/374712885.db2.gz HMLMCCRLFRSEKK-UHFFFAOYSA-N -1 1 287.281 3.085 20 0 CGADMM O=C(Nc1ccccc1F)c1c(F)ccc([O-])c1F ZINC000334415735 374732386 /nfs/dbraw/zinc/73/23/86/374732386.db2.gz NINLHBJXJTWFMN-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccnc(C2CC2)c1 ZINC000334476469 374782462 /nfs/dbraw/zinc/78/24/62/374782462.db2.gz NQORGFZVQLBZPA-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM CCC[C@@H](CC)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463699225 374847408 /nfs/dbraw/zinc/84/74/08/374847408.db2.gz DWYIATWMYQTUTH-SECBINFHSA-N -1 1 293.791 3.336 20 0 CGADMM CCOc1cc(C(=O)N2CC[C@@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000186849746 374928043 /nfs/dbraw/zinc/92/80/43/374928043.db2.gz RJYPJVNQMQMMDJ-ZJUUUORDSA-N -1 1 297.782 3.315 20 0 CGADMM CC(F)(F)c1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000187365632 375011054 /nfs/dbraw/zinc/01/10/54/375011054.db2.gz JJCMZOGCAZCEGT-UHFFFAOYSA-N -1 1 293.269 3.462 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1cc(Br)co1 ZINC000334740983 375023638 /nfs/dbraw/zinc/02/36/38/375023638.db2.gz JDNFEORUPPILQW-UHFFFAOYSA-N -1 1 299.124 3.153 20 0 CGADMM CCC[C@H](C)C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000473662030 375059250 /nfs/dbraw/zinc/05/92/50/375059250.db2.gz VDYWXUQTYGWBOG-VIFPVBQESA-N -1 1 293.317 3.152 20 0 CGADMM [O-]c1cccc(C[NH2+][C@H]2CC[C@@H](F)C2)c1Br ZINC000335168203 375194745 /nfs/dbraw/zinc/19/47/45/375194745.db2.gz HJBIJCNFJQEKPV-ZJUUUORDSA-N -1 1 288.160 3.135 20 0 CGADMM C[C@H]1CCN(Cc2c(F)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000335424121 375283642 /nfs/dbraw/zinc/28/36/42/375283642.db2.gz MOMFFRZWGANKCO-UWVGGRQHSA-N -1 1 285.746 3.022 20 0 CGADMM CN(Cc1ccsc1)Cc1ccc(C(=O)[O-])s1 ZINC000109601590 542001316 /nfs/dbraw/zinc/00/13/16/542001316.db2.gz HLCQVKPMIXRBLG-UHFFFAOYSA-N -1 1 267.375 3.140 20 0 CGADMM Cc1ccsc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339119317 376692721 /nfs/dbraw/zinc/69/27/21/376692721.db2.gz GPHPFPNBXIHTEB-UHFFFAOYSA-N -1 1 299.355 3.405 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCCCC1 ZINC000339120481 376694261 /nfs/dbraw/zinc/69/42/61/376694261.db2.gz PQMHOALXZCTSBC-UHFFFAOYSA-N -1 1 285.347 3.301 20 0 CGADMM CCC[C@H]1CCCC[C@@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000558515243 377017477 /nfs/dbraw/zinc/01/74/77/377017477.db2.gz XYIXPQYQALQZMA-WFASDCNBSA-N -1 1 289.375 3.050 20 0 CGADMM Cc1ccccc1CC(=O)Nc1ccc(F)cc1[O-] ZINC000340329024 377005880 /nfs/dbraw/zinc/00/58/80/377005880.db2.gz OLAAPUUIJXQHNC-UHFFFAOYSA-N -1 1 259.280 3.021 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc2ccccc2[nH]c1=O ZINC000340332150 377006754 /nfs/dbraw/zinc/00/67/54/377006754.db2.gz KJBIDAYKFNEYHI-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)C2CCCCC2)n1 ZINC000562708482 377351945 /nfs/dbraw/zinc/35/19/45/377351945.db2.gz SABHDUYMPHCAQQ-JTQLQIEISA-N -1 1 294.420 3.375 20 0 CGADMM O=C(NCCC1CC1)c1cc2ccccc2cc1[O-] ZINC000088459089 249026842 /nfs/dbraw/zinc/02/68/42/249026842.db2.gz UEYTWNJZVXVZSG-UHFFFAOYSA-N -1 1 255.317 3.075 20 0 CGADMM O=C([O-])c1ccc(CNCc2ccsc2Cl)cc1 ZINC000312670035 249081752 /nfs/dbraw/zinc/08/17/52/249081752.db2.gz PEBBRBQFNBXVJE-UHFFFAOYSA-N -1 1 281.764 3.390 20 0 CGADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000488223096 249172527 /nfs/dbraw/zinc/17/25/27/249172527.db2.gz ZHBOQQCXWFUSJP-UHFFFAOYSA-N -1 1 275.373 3.358 20 0 CGADMM CC1(C)C(CNC(=O)c2c(F)ccc([O-])c2F)C1(C)C ZINC000514758649 249187809 /nfs/dbraw/zinc/18/78/09/249187809.db2.gz OYZQWNALIWZNIO-UHFFFAOYSA-N -1 1 283.318 3.082 20 0 CGADMM Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ncccc2[O-])cc1 ZINC000515093367 249201898 /nfs/dbraw/zinc/20/18/98/249201898.db2.gz JMQXMQIVYNQLKR-INIZCTEOSA-N -1 1 268.360 3.433 20 0 CGADMM CCCC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000343015818 377882188 /nfs/dbraw/zinc/88/21/88/377882188.db2.gz PZJHCNSLHQEDTR-UHFFFAOYSA-N -1 1 285.347 3.301 20 0 CGADMM CC(C)c1noc([N-]c2ccc(N3CCCCC3)nc2)n1 ZINC000265651242 378006943 /nfs/dbraw/zinc/00/69/43/378006943.db2.gz VHRLUJPBXFMJGY-UHFFFAOYSA-N -1 1 287.367 3.322 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc2cnccc2c1 ZINC000343543227 378014334 /nfs/dbraw/zinc/01/43/34/378014334.db2.gz GHEXBQNVKIKAMF-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM C[C@@H]1SCCN(Cc2c(Cl)cccc2C(=O)[O-])[C@H]1C ZINC000582306483 378302458 /nfs/dbraw/zinc/30/24/58/378302458.db2.gz QVMPRHKKAWFADD-UWVGGRQHSA-N -1 1 299.823 3.364 20 0 CGADMM CC(C)N(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000271917733 378516218 /nfs/dbraw/zinc/51/62/18/378516218.db2.gz GVEBQJDLJRCHRR-UHFFFAOYSA-N -1 1 287.281 3.424 20 0 CGADMM Cc1cnc(SCCCSCC(C)C)[n-]c1=O ZINC000566497653 322127013 /nfs/dbraw/zinc/12/70/13/322127013.db2.gz FQDFSIADOLHCBG-UHFFFAOYSA-N -1 1 272.439 3.362 20 0 CGADMM [O-]c1ccc(-c2noc(C3CCC3)n2)c(Cl)c1 ZINC000277860684 379253696 /nfs/dbraw/zinc/25/36/96/379253696.db2.gz BDEHKBJUBXTULJ-UHFFFAOYSA-N -1 1 250.685 3.363 20 0 CGADMM CC[C@@H](OC)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278175442 379308428 /nfs/dbraw/zinc/30/84/28/379308428.db2.gz NWYBVIPCSNNMAV-SNVBAGLBSA-N -1 1 268.700 3.193 20 0 CGADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000350019170 379480698 /nfs/dbraw/zinc/48/06/98/379480698.db2.gz UOJWMYCBDWENNR-UHFFFAOYSA-N -1 1 297.401 3.336 20 0 CGADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])[C@@H]1CCCCO1 ZINC000379277149 379858883 /nfs/dbraw/zinc/85/88/83/379858883.db2.gz AQHKQPROQUSYGW-PXAZEXFGSA-N -1 1 299.370 3.233 20 0 CGADMM CC[C@H](CNC(=O)c1ccc([O-])cc1F)CC(F)(F)F ZINC000402490536 379965874 /nfs/dbraw/zinc/96/58/74/379965874.db2.gz VWJTVAASTPQDRN-QMMMGPOBSA-N -1 1 293.260 3.240 20 0 CGADMM CC[C@@H](CN=c1nc([C@@H](C)OC)[n-]s1)CC(F)(F)F ZINC000402696715 379971860 /nfs/dbraw/zinc/97/18/60/379971860.db2.gz QVMCAWGLRMVFMK-HTQZYQBOSA-N -1 1 297.346 3.058 20 0 CGADMM [O-]c1ccc(-c2noc(CC3CC(F)(F)C3)n2)c(F)c1 ZINC000334656693 206870712 /nfs/dbraw/zinc/87/07/12/206870712.db2.gz YRFSSYFWLYNWBE-UHFFFAOYSA-N -1 1 284.237 3.169 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2cc[nH]c2n1 ZINC000354625361 380505502 /nfs/dbraw/zinc/50/55/02/380505502.db2.gz RISIYVLSLYEBAS-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM O=C(NCCCc1ccccc1)c1c(F)ccc([O-])c1F ZINC000354701897 380531371 /nfs/dbraw/zinc/53/13/71/380531371.db2.gz IRJQTYRKIHQOPJ-UHFFFAOYSA-N -1 1 291.297 3.033 20 0 CGADMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(Cl)o1)c1ccccc1 ZINC000417563039 380640434 /nfs/dbraw/zinc/64/04/34/380640434.db2.gz MYACICTXTZTSDE-QMTHXVAHSA-N -1 1 293.750 3.485 20 0 CGADMM Cc1cnc(CN[C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000417600458 380646700 /nfs/dbraw/zinc/64/67/00/380646700.db2.gz JMAKBVOZKXYFSW-CYBMUJFWSA-N -1 1 290.388 3.147 20 0 CGADMM [O-]c1cccc(CN2CCOC[C@H]2c2ccco2)c1Cl ZINC000646085346 380825427 /nfs/dbraw/zinc/82/54/27/380825427.db2.gz YEXIQSIBMATPQY-LBPRGKRZSA-N -1 1 293.750 3.212 20 0 CGADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361386616 381727068 /nfs/dbraw/zinc/72/70/68/381727068.db2.gz MWGBQZIQLQHCJH-GUYCJALGSA-N -1 1 299.374 3.403 20 0 CGADMM COc1cc(O)cc(-c2nc3ccc(C)cc3c(=O)[n-]2)c1 ZINC000362592526 382070354 /nfs/dbraw/zinc/07/03/54/382070354.db2.gz NNZTZDUMYCUDKX-UHFFFAOYSA-N -1 1 282.299 3.025 20 0 CGADMM CC1(C)CC[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000725893222 572483994 /nfs/dbraw/zinc/48/39/94/572483994.db2.gz VWEZIJVPRLTIKL-LLVKDONJSA-N -1 1 271.282 3.478 20 0 CGADMM O=C(NCCC1=CCCCC1)c1c(F)ccc([O-])c1F ZINC000280680056 194926126 /nfs/dbraw/zinc/92/61/26/194926126.db2.gz CLVGUCXNDVLCIJ-UHFFFAOYSA-N -1 1 281.302 3.291 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC(CC(F)F)C1 ZINC000335384842 208333247 /nfs/dbraw/zinc/33/32/47/208333247.db2.gz PBHCJIWPMLMXKJ-UHFFFAOYSA-N -1 1 291.297 3.273 20 0 CGADMM C[C@@H]1C[C@@H](C)[C@@H](c2nc(-c3ccc([O-])cc3F)no2)O1 ZINC000289180354 197254613 /nfs/dbraw/zinc/25/46/13/197254613.db2.gz WGHCEJPJAJLKMB-RWYTXXIDSA-N -1 1 278.283 3.067 20 0 CGADMM CO[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@H](C)C1 ZINC000281674795 195330964 /nfs/dbraw/zinc/33/09/64/195330964.db2.gz DWXDHPDLSIEGLX-OCCSQVGLSA-N -1 1 299.370 3.185 20 0 CGADMM CC1CC(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)C1 ZINC000533841218 288395550 /nfs/dbraw/zinc/39/55/50/288395550.db2.gz UHCSRLBEJAKYKI-UHFFFAOYSA-N -1 1 295.795 3.198 20 0 CGADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccncc1F ZINC000436685580 533278326 /nfs/dbraw/zinc/27/83/26/533278326.db2.gz BIUGAEGSSZILIL-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM C[C@H]1CN(Cc2c(F)cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000388629243 542605729 /nfs/dbraw/zinc/60/57/29/542605729.db2.gz KENVCWWMXRKMDT-UWVGGRQHSA-N -1 1 285.746 3.022 20 0 CGADMM O=C([O-])[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000003754692 391919108 /nfs/dbraw/zinc/91/91/08/391919108.db2.gz BSXFISPKLICGKD-LBPRGKRZSA-N -1 1 288.174 3.433 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1F)c1ccccc1[O-] ZINC000061120371 392125695 /nfs/dbraw/zinc/12/56/95/392125695.db2.gz HOVOLFZLOZZTCA-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM CC(C)c1ccc(S([O-])=CC(=O)c2ccc[nH]2)cc1 ZINC000108065501 392335698 /nfs/dbraw/zinc/33/56/98/392335698.db2.gz DYSYRYRAYMZQSU-LJQANCHMSA-N -1 1 275.373 3.129 20 0 CGADMM CC(C)c1ccc([S@@](=O)C=C([O-])c2ccc[nH]2)cc1 ZINC000108065501 392335707 /nfs/dbraw/zinc/33/57/07/392335707.db2.gz DYSYRYRAYMZQSU-LJQANCHMSA-N -1 1 275.373 3.129 20 0 CGADMM COc1cc(C(=O)Nc2cnccc2C)cc(Cl)c1[O-] ZINC000153763323 392528651 /nfs/dbraw/zinc/52/86/51/392528651.db2.gz BZMYORNJJITURV-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM CC(C)(C)C[C@H](O)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000291828685 392490110 /nfs/dbraw/zinc/49/01/10/392490110.db2.gz BOAGBMIYZUZWHP-SNVBAGLBSA-N -1 1 285.771 3.171 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2ccccc2)cc1C ZINC000301719700 392597796 /nfs/dbraw/zinc/59/77/96/392597796.db2.gz MZUYGAQHSCWBNL-UHFFFAOYSA-N -1 1 275.373 3.358 20 0 CGADMM CCc1cc([N-]S(=O)(=O)c2ccccc2)ccc1C ZINC000301757041 392597929 /nfs/dbraw/zinc/59/79/29/392597929.db2.gz IGXVQWIUUFIYHC-UHFFFAOYSA-N -1 1 275.373 3.358 20 0 CGADMM O=C(NCc1cccc(O)c1)c1cc2ccccc2cc1[O-] ZINC000194456885 392921736 /nfs/dbraw/zinc/92/17/36/392921736.db2.gz PMDFYLVBXDWIRH-UHFFFAOYSA-N -1 1 293.322 3.181 20 0 CGADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cncc([O-])c2)CC1 ZINC000546721424 393070147 /nfs/dbraw/zinc/07/01/47/393070147.db2.gz YNPLWGPLPHYZJR-GXTWGEPZSA-N -1 1 276.380 3.122 20 0 CGADMM COc1ccc(C(=O)Nc2cccc3cc[nH]c32)c([O-])c1 ZINC000548144452 393179940 /nfs/dbraw/zinc/17/99/40/393179940.db2.gz VIMPVEMJHVILSO-UHFFFAOYSA-N -1 1 282.299 3.134 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2ccccc2F)[n-]1 ZINC000470440175 393245333 /nfs/dbraw/zinc/24/53/33/393245333.db2.gz CKZSFYWVRYOXOC-UHFFFAOYSA-N -1 1 276.336 3.491 20 0 CGADMM C[C@H]1C[C@@H](NCc2cccc([O-])c2Cl)c2nccn21 ZINC000648776414 393247740 /nfs/dbraw/zinc/24/77/40/393247740.db2.gz KXUQAJAVCUBZOL-GXSJLCMTSA-N -1 1 277.755 3.038 20 0 CGADMM CC[C@H](NC(=O)c1c(F)ccc([O-])c1F)[C@H]1CC1(C)C ZINC000416273200 393287614 /nfs/dbraw/zinc/28/76/14/393287614.db2.gz FJXMMJLFVDCVAA-SCZZXKLOSA-N -1 1 283.318 3.225 20 0 CGADMM CC1(C)Cc2ccccc2N(C(=O)c2ccc(O)cc2[O-])C1 ZINC000646756296 393316853 /nfs/dbraw/zinc/31/68/53/393316853.db2.gz KMUAJJIWKAAPTH-UHFFFAOYSA-N -1 1 297.354 3.327 20 0 CGADMM C[C@@]1([N-]S(=O)(=O)c2sccc2Cl)CC=CCC1 ZINC000416563555 393316918 /nfs/dbraw/zinc/31/69/18/393316918.db2.gz ZDNOTLCSIBASPX-LLVKDONJSA-N -1 1 291.825 3.179 20 0 CGADMM CN(CCC(C)(C)C)C(=O)c1c(F)ccc([O-])c1F ZINC000649027971 393326517 /nfs/dbraw/zinc/32/65/17/393326517.db2.gz HDBJKRCNJJJZII-UHFFFAOYSA-N -1 1 271.307 3.179 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2ccc([O-])c(F)c2)CC1(C)C ZINC000647093182 393338401 /nfs/dbraw/zinc/33/84/01/393338401.db2.gz MIPDSEJQLYKGAL-ZDUSSCGKSA-N -1 1 265.328 3.038 20 0 CGADMM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2cncc([O-])c2)C1 ZINC000649066559 393342449 /nfs/dbraw/zinc/34/24/49/393342449.db2.gz JIUMJQHUSHPTIT-IUODEOHRSA-N -1 1 288.391 3.076 20 0 CGADMM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000360884751 393605918 /nfs/dbraw/zinc/60/59/18/393605918.db2.gz LTZYSFAJFSLMGH-UWVGGRQHSA-N -1 1 291.363 3.068 20 0 CGADMM Cc1ccoc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000445455434 393795571 /nfs/dbraw/zinc/79/55/71/393795571.db2.gz KGCOVVXNSUQVQG-UHFFFAOYSA-N -1 1 260.224 3.150 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccc4c(c3)COC4)n2)c(F)c1 ZINC000445453351 393795724 /nfs/dbraw/zinc/79/57/24/393795724.db2.gz IDLAOBKLWXPWPB-UHFFFAOYSA-N -1 1 298.273 3.279 20 0 CGADMM C[C@@H](Cc1nc(-c2ccc([O-])cc2F)no1)c1cccnc1 ZINC000445465150 393797616 /nfs/dbraw/zinc/79/76/16/393797616.db2.gz XWRHIJWSQWPQJL-JTQLQIEISA-N -1 1 299.305 3.323 20 0 CGADMM CCSCCCc1noc(-c2cc(F)ccc2[O-])n1 ZINC000445767711 393821206 /nfs/dbraw/zinc/82/12/06/393821206.db2.gz SUKVMVDYLXRPPD-UHFFFAOYSA-N -1 1 282.340 3.267 20 0 CGADMM C[C@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000667448069 542869463 /nfs/dbraw/zinc/86/94/63/542869463.db2.gz PGTWMJSBDNMZLT-LBPRGKRZSA-N -1 1 284.359 3.203 20 0 CGADMM CCC[C@@H](NC(=O)c1ccc([O-])cc1F)C(C)(C)C ZINC000452673699 394101088 /nfs/dbraw/zinc/10/10/88/394101088.db2.gz PUHXIXDQPBNNDV-CYBMUJFWSA-N -1 1 267.344 3.476 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ncc2ccccc2c1[O-] ZINC000668219319 542991501 /nfs/dbraw/zinc/99/15/01/542991501.db2.gz ISENAYSLKFYABV-VXGBXAGGSA-N -1 1 284.359 3.344 20 0 CGADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c(F)cc1F ZINC000674014779 543263447 /nfs/dbraw/zinc/26/34/47/543263447.db2.gz ATOAWBFGBQEPMA-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CCc1cc(=O)n(-c2cccc(C(F)(F)F)c2)[n-]1 ZINC000101753091 397645674 /nfs/dbraw/zinc/64/56/74/397645674.db2.gz IMVAUKCLZRSDOB-UHFFFAOYSA-N -1 1 256.227 3.208 20 0 CGADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)C3CCCC3)n2)o1 ZINC000675708475 543356921 /nfs/dbraw/zinc/35/69/21/543356921.db2.gz UWFIGMIIMZUBMD-SNVBAGLBSA-N -1 1 288.351 3.138 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc2c(s1)CCC2 ZINC000676702050 543410406 /nfs/dbraw/zinc/41/04/06/543410406.db2.gz PCXOCLFQSPRPEG-UHFFFAOYSA-N -1 1 277.320 3.334 20 0 CGADMM Cc1noc(C)c1[C@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000677204416 543440893 /nfs/dbraw/zinc/44/08/93/543440893.db2.gz IQEZQXDXKICSTP-MRVPVSSYSA-N -1 1 292.310 3.268 20 0 CGADMM CN(CCc1cccs1)C(=O)c1ccc(Cl)cc1[O-] ZINC000075201192 287022614 /nfs/dbraw/zinc/02/26/14/287022614.db2.gz YYEDAGOIOFZPHU-UHFFFAOYSA-N -1 1 295.791 3.422 20 0 CGADMM CC[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080028720 287062676 /nfs/dbraw/zinc/06/26/76/287062676.db2.gz YYUCLYYYJQHAFT-LLVKDONJSA-N -1 1 265.328 3.184 20 0 CGADMM O=C(Nc1nc(C2CC2)cs1)c1cc(F)ccc1[O-] ZINC000081937983 287077759 /nfs/dbraw/zinc/07/77/59/287077759.db2.gz RMVNECBHSVDSAV-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM O=C(Cc1cccs1)Nc1ccc([O-])c(Cl)c1 ZINC000082192720 165168755 /nfs/dbraw/zinc/16/87/55/165168755.db2.gz OLBPZFOGVLTUEO-UHFFFAOYSA-N -1 1 267.737 3.288 20 0 CGADMM O=C(Cc1ccc(F)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000082192765 165168850 /nfs/dbraw/zinc/16/88/50/165168850.db2.gz KNDMYJRUTVLNFW-UHFFFAOYSA-N -1 1 279.698 3.366 20 0 CGADMM CCOc1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000112335214 287140330 /nfs/dbraw/zinc/14/03/30/287140330.db2.gz VPWNIEMAZXAYOB-UHFFFAOYSA-N -1 1 291.372 3.195 20 0 CGADMM CC(C)CO[N-]C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000284417242 196049507 /nfs/dbraw/zinc/04/95/07/196049507.db2.gz OGMUWYVZJYTFNL-CYBMUJFWSA-N -1 1 291.391 3.333 20 0 CGADMM Cc1ccc(C[C@H](C)NC(=O)c2c([O-])cccc2F)s1 ZINC000125597984 287247309 /nfs/dbraw/zinc/24/73/09/287247309.db2.gz KGONSYKZXNUEAJ-VIFPVBQESA-N -1 1 293.363 3.262 20 0 CGADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000035134870 172001809 /nfs/dbraw/zinc/00/18/09/172001809.db2.gz UUHGZPFUVUDODG-JTQLQIEISA-N -1 1 255.317 3.074 20 0 CGADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cccs1 ZINC000128632250 287315163 /nfs/dbraw/zinc/31/51/63/287315163.db2.gz GEKRLWMVSPCLEZ-LLVKDONJSA-N -1 1 279.336 3.474 20 0 CGADMM C[C@@H](Cc1ccsc1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000048482122 416452227 /nfs/dbraw/zinc/45/22/27/416452227.db2.gz VVWBFKIIDJTYNG-VIFPVBQESA-N -1 1 295.791 3.468 20 0 CGADMM Cc1cc2cccnc2c(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000129556496 287334662 /nfs/dbraw/zinc/33/46/62/287334662.db2.gz SVLFGWLCDCVVTC-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM Cc1cc(C)n([C@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000129631952 287336324 /nfs/dbraw/zinc/33/63/24/287336324.db2.gz KUDWVVPCQHLWFG-SNVBAGLBSA-N -1 1 293.754 3.059 20 0 CGADMM COc1ccc(C(=O)N2C[C@@H](C)c3ccccc32)c([O-])c1 ZINC000129998500 287343024 /nfs/dbraw/zinc/34/30/24/287343024.db2.gz QJCLWALBGUCHLF-LLVKDONJSA-N -1 1 283.327 3.165 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc([O-])c(F)c1 ZINC000681014960 543756506 /nfs/dbraw/zinc/75/65/06/543756506.db2.gz UOGPCVFONUDWCE-INIZCTEOSA-N -1 1 285.318 3.412 20 0 CGADMM O=C(Nc1nc2ccccc2s1)c1ccc([O-])c(F)c1 ZINC000681016377 543756595 /nfs/dbraw/zinc/75/65/95/543756595.db2.gz TYQXADDWVSMIFN-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM O=C(Nc1ccc2[nH]ccc2c1)c1ccc([O-])c(F)c1 ZINC000681017200 543757593 /nfs/dbraw/zinc/75/75/93/543757593.db2.gz ZCVWNTPWGHCZOZ-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM CC(C)CCN(C(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000681017459 543757850 /nfs/dbraw/zinc/75/78/50/543757850.db2.gz ZSBGJHCYGGRBGZ-UHFFFAOYSA-N -1 1 265.328 3.182 20 0 CGADMM C[C@H](CCNC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000681037766 543759604 /nfs/dbraw/zinc/75/96/04/543759604.db2.gz LOHXNCWDVYTACA-GFCCVEGCSA-N -1 1 287.334 3.455 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000681036934 543759690 /nfs/dbraw/zinc/75/96/90/543759690.db2.gz HXXSCWKZYOXFLH-CQSZACIVSA-N -1 1 285.318 3.161 20 0 CGADMM Cc1cccc([C@@H](C)CNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681048540 543760755 /nfs/dbraw/zinc/76/07/55/543760755.db2.gz AEWWKDBZHBPQHI-LBPRGKRZSA-N -1 1 287.334 3.373 20 0 CGADMM CC[C@@H]1CCCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681049338 543760835 /nfs/dbraw/zinc/76/08/35/543760835.db2.gz ZHVXJQIZIYKZPW-GFCCVEGCSA-N -1 1 265.328 3.326 20 0 CGADMM CC1(NC(=O)c2ccc([O-])c(F)c2)CCC(F)(F)CC1 ZINC000681070266 543762775 /nfs/dbraw/zinc/76/27/75/543762775.db2.gz QRNMICKKHUSRNI-UHFFFAOYSA-N -1 1 287.281 3.229 20 0 CGADMM Cc1cccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000683172698 543900894 /nfs/dbraw/zinc/90/08/94/543900894.db2.gz GEZUIAOSVIUWAH-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM CCN(Cc1ncccc1[O-])Cc1c(F)cccc1F ZINC000685414762 544065655 /nfs/dbraw/zinc/06/56/55/544065655.db2.gz HNTMFDREJSZHGF-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM CC(C)(C)OCCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000685575046 544085742 /nfs/dbraw/zinc/08/57/42/544085742.db2.gz LPUZLHGATMCZOC-UHFFFAOYSA-N -1 1 292.351 3.417 20 0 CGADMM O=C(N[C@@H]1CCCSC1)c1ccc2ccccc2c1[O-] ZINC000135646516 287473292 /nfs/dbraw/zinc/47/32/92/287473292.db2.gz YECNOLQPYPASMX-GFCCVEGCSA-N -1 1 287.384 3.171 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1C[C@@H]1C1CCCC1 ZINC000652422168 418967201 /nfs/dbraw/zinc/96/72/01/418967201.db2.gz QCUKXPKPSGRCEU-ZJUUUORDSA-N -1 1 281.302 3.435 20 0 CGADMM CC(C)N(CCC(=O)[O-])Cc1csc(C2CCCC2)n1 ZINC000652478778 418973057 /nfs/dbraw/zinc/97/30/57/418973057.db2.gz XIWKIFCYIDCBEX-UHFFFAOYSA-N -1 1 296.436 3.486 20 0 CGADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2cccs2)cc1 ZINC000652353203 418956825 /nfs/dbraw/zinc/95/68/25/418956825.db2.gz QETLAUGRMURPJK-LLVKDONJSA-N -1 1 275.373 3.320 20 0 CGADMM CC(C)C[C@H](C(=O)[O-])N(C)Cc1c(F)cccc1Cl ZINC000652374500 418959365 /nfs/dbraw/zinc/95/93/65/418959365.db2.gz UERKDRHZHKWBCS-CYBMUJFWSA-N -1 1 287.762 3.410 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3C[C@H]4C[C@H]4C3)n2)cc1F ZINC000664850578 419014160 /nfs/dbraw/zinc/01/41/60/419014160.db2.gz UVPPFNSHKRLFKR-MYJAWHEDSA-N -1 1 260.268 3.095 20 0 CGADMM CC1(C)CC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000664849045 419014214 /nfs/dbraw/zinc/01/42/14/419014214.db2.gz BAIGYPXAVSQMLM-SNVBAGLBSA-N -1 1 262.284 3.485 20 0 CGADMM Cc1ccc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cn1 ZINC000659794116 418992753 /nfs/dbraw/zinc/99/27/53/418992753.db2.gz SLTRNTGRUNTBQP-IRXDYDNUSA-N -1 1 296.370 3.180 20 0 CGADMM CN(CC1=CCSC1)Cc1c(Cl)cccc1C(=O)[O-] ZINC000659804683 418996206 /nfs/dbraw/zinc/99/62/06/418996206.db2.gz CXQUTROLMYKQJM-UHFFFAOYSA-N -1 1 297.807 3.143 20 0 CGADMM CC/C=C/CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000653786332 419084398 /nfs/dbraw/zinc/08/43/98/419084398.db2.gz UXNBKWMTQKZNAM-ONEGZZNKSA-N -1 1 273.254 3.107 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCCc2ccccc2CC1 ZINC000653974348 419122446 /nfs/dbraw/zinc/12/24/46/419122446.db2.gz MDHYXFANRQFJDK-UHFFFAOYSA-N -1 1 299.345 3.162 20 0 CGADMM COC1CCC(Cc2nc(=O)c3sc(C)cc3[n-]2)CC1 ZINC000656490645 419177393 /nfs/dbraw/zinc/17/73/93/419177393.db2.gz DMFXGIZZIJDVRF-UHFFFAOYSA-N -1 1 292.404 3.453 20 0 CGADMM CCc1nc(SCC2CC=CC2)[n-]c(=O)c1C ZINC000657264541 419240282 /nfs/dbraw/zinc/24/02/82/419240282.db2.gz UPDLLYVCRDREFV-UHFFFAOYSA-N -1 1 250.367 3.111 20 0 CGADMM O=C(NCc1ccc2ncccc2c1)c1ccc([O-])cc1F ZINC000194919416 287624615 /nfs/dbraw/zinc/62/46/15/287624615.db2.gz VBZWXZZXVGYTFD-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=C(NCc1ccsc1)c1cc(Cl)ccc1[O-] ZINC000042938080 270033424 /nfs/dbraw/zinc/03/34/24/270033424.db2.gz YSYDTDRBAZEBTI-UHFFFAOYSA-N -1 1 267.737 3.037 20 0 CGADMM Cc1ncsc1/C=C/C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000187452948 270068825 /nfs/dbraw/zinc/06/88/25/270068825.db2.gz MSJSUXRXSQKPSL-SNAWJCMRSA-N -1 1 294.763 3.462 20 0 CGADMM C[C@H]1CC(NC(=O)c2c([O-])cccc2F)C[C@H](C)C1 ZINC000228853876 270087844 /nfs/dbraw/zinc/08/78/44/270087844.db2.gz DPXNKLXHFAMMOW-NXEZZACHSA-N -1 1 265.328 3.086 20 0 CGADMM CC1(C)CCC(NC(=O)c2c([O-])cccc2F)CC1 ZINC000228854555 270088234 /nfs/dbraw/zinc/08/82/34/270088234.db2.gz MYEYIKDVOKKYCS-UHFFFAOYSA-N -1 1 265.328 3.230 20 0 CGADMM O=C(NCCC1=CCCC1)c1cc(Cl)ccc1[O-] ZINC000229000171 270088281 /nfs/dbraw/zinc/08/82/81/270088281.db2.gz SGLJKQZBCBEZCH-UHFFFAOYSA-N -1 1 265.740 3.276 20 0 CGADMM [O-]c1ccc(-c2nc(Cc3cccc(F)c3)no2)c(F)c1 ZINC000230228715 270088817 /nfs/dbraw/zinc/08/88/17/270088817.db2.gz IYTGFZPOHCDPBH-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM CCc1ccc(-c2ccc(C(=O)[N-]c3nc(C)no3)o2)cc1 ZINC000079665630 276664119 /nfs/dbraw/zinc/66/41/19/276664119.db2.gz WCQHHPSQJKSCAW-UHFFFAOYSA-N -1 1 297.314 3.453 20 0 CGADMM C[C@H]1C[C@@H](NC(=O)c2cc3ccccc3cc2[O-])CS1 ZINC000397971634 288036637 /nfs/dbraw/zinc/03/66/37/288036637.db2.gz MUTCKUZAGFZDLI-GXFFZTMASA-N -1 1 287.384 3.169 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C12CCC(CC1)C2 ZINC000335222167 280022054 /nfs/dbraw/zinc/02/20/54/280022054.db2.gz XKMMSLNNYCFIEN-UHFFFAOYSA-N -1 1 267.275 3.189 20 0 CGADMM CC[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436777859 280283668 /nfs/dbraw/zinc/28/36/68/280283668.db2.gz OOCRMACEFVVATM-SNVBAGLBSA-N -1 1 287.281 3.426 20 0 CGADMM CC1(C)CC[C@@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000530004113 288280802 /nfs/dbraw/zinc/28/08/02/288280802.db2.gz BCMGLEFVVUHGNZ-SECBINFHSA-N -1 1 251.301 3.296 20 0 CGADMM CC[C@H](C(=O)Nc1cccc(F)c1[O-])c1c(C)noc1C ZINC000530005216 288281366 /nfs/dbraw/zinc/28/13/66/288281366.db2.gz HAHIXXITMSWJMG-JTQLQIEISA-N -1 1 292.310 3.268 20 0 CGADMM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1cccc(F)c1[O-] ZINC000530005770 288281560 /nfs/dbraw/zinc/28/15/60/288281560.db2.gz NQXXJBRIJXLPGZ-YMTOWFKASA-N -1 1 251.301 3.296 20 0 CGADMM C[C@H]1CCC[C@]1(C)C(=O)Nc1cccc(F)c1[O-] ZINC000530005769 288281610 /nfs/dbraw/zinc/28/16/10/288281610.db2.gz NQXXJBRIJXLPGZ-XPTSAGLGSA-N -1 1 251.301 3.296 20 0 CGADMM CC(C)[C@H](C(=O)Nc1cccc(F)c1[O-])c1cccnc1 ZINC000530005886 288281744 /nfs/dbraw/zinc/28/17/44/288281744.db2.gz NHSXMGOEFCIELW-AWEZNQCLSA-N -1 1 288.322 3.305 20 0 CGADMM CCC[C@H]1C[C@H](C(=O)Nc2cccc(F)c2[O-])CCO1 ZINC000530006854 288282185 /nfs/dbraw/zinc/28/21/85/288282185.db2.gz WBWIGQVJKJJVMC-MNOVXSKESA-N -1 1 281.327 3.065 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCC2(OC)CCC2)n1 ZINC000554969390 289321470 /nfs/dbraw/zinc/32/14/70/289321470.db2.gz MGWFIORNBKWIKR-UHFFFAOYSA-N -1 1 282.409 3.186 20 0 CGADMM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2cncc([O-])c2)C1 ZINC000342761960 300045017 /nfs/dbraw/zinc/04/50/17/300045017.db2.gz WHCYKFYSFBBUOZ-GUYCJALGSA-N -1 1 296.370 3.401 20 0 CGADMM Cc1cnc(C(=O)N2CCCC3(CCCCC3)C2)c([O-])c1 ZINC000408228126 302331488 /nfs/dbraw/zinc/33/14/88/302331488.db2.gz GBLIWBVUXYOPCH-UHFFFAOYSA-N -1 1 288.391 3.282 20 0 CGADMM CCC[C@]1(NC(=O)c2cc3ccccc3cc2[O-])CCOC1 ZINC000378762014 327756704 /nfs/dbraw/zinc/75/67/04/327756704.db2.gz KDJKFWSHJQMJFE-SFHVURJKSA-N -1 1 299.370 3.234 20 0 CGADMM CCC[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])OC ZINC000378782286 327757878 /nfs/dbraw/zinc/75/78/78/327757878.db2.gz OINMLICOOBVVFI-ZDUSSCGKSA-N -1 1 287.359 3.090 20 0 CGADMM CN(Cc1cc(C(=O)[O-])ccc1Cl)[C@H]1CC1(C)C ZINC000564091644 322020250 /nfs/dbraw/zinc/02/02/50/322020250.db2.gz BCUBRPNXTXFUPO-LBPRGKRZSA-N -1 1 267.756 3.269 20 0 CGADMM CCC(C)(C)[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000564982710 322052137 /nfs/dbraw/zinc/05/21/37/322052137.db2.gz WTCKXMBMDFCRBT-AWEZNQCLSA-N -1 1 275.348 3.412 20 0 CGADMM O=C(N[C@H]1CCC[C@H](F)C1)c1ccc(Cl)cc1[O-] ZINC000565008388 322054184 /nfs/dbraw/zinc/05/41/84/322054184.db2.gz YDWWZCRDUFGNLG-UWVGGRQHSA-N -1 1 271.719 3.056 20 0 CGADMM Cc1oc([C@@H](C)N(C)Cc2ccccc2)cc1C(=O)[O-] ZINC000566358446 322117652 /nfs/dbraw/zinc/11/76/52/322117652.db2.gz WWIKCPPRFKUYIK-LLVKDONJSA-N -1 1 273.332 3.479 20 0 CGADMM Cc1nc(C)c([C@@H](C)N(C)Cc2ccoc2C(=O)[O-])s1 ZINC000567359115 322160607 /nfs/dbraw/zinc/16/06/07/322160607.db2.gz KKWRZFZFRTWEJD-SECBINFHSA-N -1 1 294.376 3.244 20 0 CGADMM Cc1cnc(SC[C@H](C)c2ccccc2)[n-]c1=O ZINC000567521983 322166803 /nfs/dbraw/zinc/16/68/03/322166803.db2.gz BYVAYTIEAGBMBQ-NSHDSACASA-N -1 1 260.362 3.386 20 0 CGADMM Cc1cnc(SC[C@H]2CCCC[C@@H]2C)[n-]c1=O ZINC000570651053 322278930 /nfs/dbraw/zinc/27/89/30/322278930.db2.gz RYUYMNYCSHDSHA-GXSJLCMTSA-N -1 1 252.383 3.409 20 0 CGADMM C[C@@H]1CCN(Cc2cc3ccccc3o2)[C@@H](C(=O)[O-])C1 ZINC000570933945 322285827 /nfs/dbraw/zinc/28/58/27/322285827.db2.gz SGRPNDROBDXHSF-BXUZGUMPSA-N -1 1 273.332 3.118 20 0 CGADMM CCc1nc(SCc2cccc(C)n2)[n-]c(=O)c1C ZINC000571106410 322290204 /nfs/dbraw/zinc/29/02/04/322290204.db2.gz GYVRVIQPAWTYJR-UHFFFAOYSA-N -1 1 275.377 3.049 20 0 CGADMM COc1cccc(Cl)c1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000573332256 322382917 /nfs/dbraw/zinc/38/29/17/322382917.db2.gz SZMSFKIUAVLYTG-JTQLQIEISA-N -1 1 297.782 3.034 20 0 CGADMM [O-]c1ccc(-c2noc(CC3CCSCC3)n2)c(F)c1 ZINC000573528808 322392799 /nfs/dbraw/zinc/39/27/99/322392799.db2.gz JWCJCRKDAAOCEV-UHFFFAOYSA-N -1 1 294.351 3.267 20 0 CGADMM Cc1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)oc1C(=O)[O-] ZINC000582670966 329122652 /nfs/dbraw/zinc/12/26/52/329122652.db2.gz DCFWGROZOUXSCI-STQMWFEESA-N -1 1 295.404 3.146 20 0 CGADMM [O-]c1ccc(-c2noc(CC3CCSCC3)n2)cc1F ZINC000582764559 329156722 /nfs/dbraw/zinc/15/67/22/329156722.db2.gz BCIODZHESXDVPD-UHFFFAOYSA-N -1 1 294.351 3.267 20 0 CGADMM Cc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)ccc1F ZINC000426789005 533713495 /nfs/dbraw/zinc/71/34/95/533713495.db2.gz QUNDGHUMIRRYIR-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM C[C@@H]1CCC[C@H](c2nc3cc(F)c([O-])cc3c(=O)[nH]2)C1 ZINC000576728546 335240831 /nfs/dbraw/zinc/24/08/31/335240831.db2.gz LQUAUCHFVGUQAC-BDAKNGLRSA-N -1 1 276.311 3.062 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1F ZINC000181047908 335748773 /nfs/dbraw/zinc/74/87/73/335748773.db2.gz YQYUGLBUDBBDCL-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM CC(C)(CNC(=O)c1ccc([O-])cc1F)C1CCC1 ZINC000384850474 336132994 /nfs/dbraw/zinc/13/29/94/336132994.db2.gz LGYXWSZGNXGZKP-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM CS[C@H](C)CCC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000359196547 534036937 /nfs/dbraw/zinc/03/69/37/534036937.db2.gz UBTZQAFAAZOUOI-SECBINFHSA-N -1 1 295.433 3.030 20 0 CGADMM CS[C@H](C)CCC(=O)Nc1ccc(F)cc1[O-] ZINC000358695234 534041597 /nfs/dbraw/zinc/04/15/97/534041597.db2.gz HLUAAHAPQVZWAW-MRVPVSSYSA-N -1 1 257.330 3.002 20 0 CGADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccs2)s1 ZINC000426814931 534076694 /nfs/dbraw/zinc/07/66/94/534076694.db2.gz BWZOEXGPJORVOR-LLVKDONJSA-N -1 1 267.375 3.034 20 0 CGADMM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1c(F)ccc([O-])c1F ZINC000412456063 534590065 /nfs/dbraw/zinc/59/00/65/534590065.db2.gz ARTAWYWKOKCOPN-WDEREUQCSA-N -1 1 295.329 3.227 20 0 CGADMM CC[C@H](c1ccncc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000094163034 522963501 /nfs/dbraw/zinc/96/35/01/522963501.db2.gz IDNUMSYLENVTFL-CQSZACIVSA-N -1 1 288.322 3.150 20 0 CGADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cnccc2C)c(C)c1 ZINC000085235429 524326795 /nfs/dbraw/zinc/32/67/95/524326795.db2.gz QWBBRJFGPDTKDU-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM O=C(C[C@H]1C=CCC1)Nc1ccc([O-])c(Cl)c1 ZINC000085204527 527157445 /nfs/dbraw/zinc/15/74/45/527157445.db2.gz QSDGKRDHSRQIFT-VIFPVBQESA-N -1 1 251.713 3.340 20 0 CGADMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccoc1 ZINC000350898228 527766358 /nfs/dbraw/zinc/76/63/58/527766358.db2.gz RDRBPLNMYZFSRY-UHFFFAOYSA-N -1 1 298.339 3.040 20 0 CGADMM CC(C)CN(CCc1ccccc1)C(=O)c1ncccc1[O-] ZINC000426438324 527942777 /nfs/dbraw/zinc/94/27/77/527942777.db2.gz CSYRVLQPIBVZJE-UHFFFAOYSA-N -1 1 298.386 3.128 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2nc(C3CC3)c[nH]2)c([O-])c1 ZINC000436707903 528081049 /nfs/dbraw/zinc/08/10/49/528081049.db2.gz IOEMHFCBBVSLEO-UHFFFAOYSA-N -1 1 285.347 3.368 20 0 CGADMM CCOc1cc(C(=O)N(C)[C@H]2CC2(C)C)cc(Cl)c1[O-] ZINC000428194242 528208478 /nfs/dbraw/zinc/20/84/78/528208478.db2.gz FDMMHMGBTZCRCS-LBPRGKRZSA-N -1 1 297.782 3.315 20 0 CGADMM CCOc1cc(C(=O)N2CC[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000357997358 528217745 /nfs/dbraw/zinc/21/77/45/528217745.db2.gz ZVRQFBGCOZHBAZ-LBPRGKRZSA-N -1 1 297.782 3.315 20 0 CGADMM CC(C)CSCCCNC(=O)c1cc(F)ccc1[O-] ZINC000436672602 528218987 /nfs/dbraw/zinc/21/89/87/528218987.db2.gz MPDOOHMIMTWJHG-UHFFFAOYSA-N -1 1 285.384 3.040 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H]2CCC(C)(C)O2)n1 ZINC000436141555 528613583 /nfs/dbraw/zinc/61/35/83/528613583.db2.gz NXBICGYCDLHNJT-NSHDSACASA-N -1 1 282.409 3.184 20 0 CGADMM CCCCOc1ccc(C(=O)N2CCCCCO2)c([O-])c1 ZINC000436978605 528658644 /nfs/dbraw/zinc/65/86/44/528658644.db2.gz HMFKMWFEQVHIEO-UHFFFAOYSA-N -1 1 293.363 3.129 20 0 CGADMM CCCc1nc(-c2noc(-c3cc(F)ccc3[O-])n2)co1 ZINC000436885495 528681277 /nfs/dbraw/zinc/68/12/77/528681277.db2.gz OPZRTFSRSGVCGP-UHFFFAOYSA-N -1 1 289.266 3.189 20 0 CGADMM CCN(C(=O)c1cc(F)ccc1[O-])c1ccc(OC)cc1 ZINC000436752548 529072963 /nfs/dbraw/zinc/07/29/63/529072963.db2.gz BLWBVRWCYNJJSE-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM C[C@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccn1 ZINC000738225387 572366731 /nfs/dbraw/zinc/36/67/31/572366731.db2.gz RFOWYLCLOBCMKI-HZMBPMFUSA-N -1 1 290.750 3.212 20 0 CGADMM O=C(OCc1ccnc(Cl)c1)c1c([O-])cc(F)cc1F ZINC000726200625 572565591 /nfs/dbraw/zinc/56/55/91/572565591.db2.gz NSGRNSJUBHHHEI-UHFFFAOYSA-N -1 1 299.660 3.076 20 0 CGADMM CCCCCC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744473976 572755888 /nfs/dbraw/zinc/75/58/88/572755888.db2.gz NSDMORILVFPGAV-UHFFFAOYSA-N -1 1 278.348 3.261 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)CC2CCCC2)c1 ZINC000744481507 572757282 /nfs/dbraw/zinc/75/72/82/572757282.db2.gz UGRQFZAKAOLMEQ-UHFFFAOYSA-N -1 1 290.359 3.261 20 0 CGADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cccnc1Cl ZINC000818051800 597244557 /nfs/dbraw/zinc/24/45/57/597244557.db2.gz AIKVZNBLXJHEPQ-SNVBAGLBSA-N -1 1 290.750 3.284 20 0 CGADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC000235215068 598192307 /nfs/dbraw/zinc/19/23/07/598192307.db2.gz WQGBLXQJBWLJBU-LLVKDONJSA-N -1 1 273.307 3.375 20 0 CGADMM CCOc1ccc2nc(SC/C=C(/C)C(=O)[O-])[nH]c2c1 ZINC000088629924 600724668 /nfs/dbraw/zinc/72/46/68/600724668.db2.gz XDPGKGHUIRLIIN-TWGQIWQCSA-N -1 1 292.360 3.085 20 0 CGADMM CC(C)C[C@@H](CNC(=O)[O-])N[C@@H](C)c1cccnc1Cl ZINC000824204565 604306957 /nfs/dbraw/zinc/30/69/57/604306957.db2.gz SYDWHHLOEGBLLG-QWRGUYRKSA-N -1 1 299.802 3.068 20 0 CGADMM Cc1ccc([C@H](C)NCc2ccc(C(=O)[O-])o2)cc1F ZINC000094952930 604329360 /nfs/dbraw/zinc/32/93/60/604329360.db2.gz BDSOMNDZBKMQEU-JTQLQIEISA-N -1 1 277.295 3.276 20 0 CGADMM CC(C)(C)c1ccc(CN2CC[C@](F)(C(=O)[O-])C2)s1 ZINC000833449139 604682174 /nfs/dbraw/zinc/68/21/74/604682174.db2.gz NTUFPRGYPYFOLR-CQSZACIVSA-N -1 1 285.384 3.044 20 0 CGADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H]1c1ccccc1 ZINC000833546470 605043021 /nfs/dbraw/zinc/04/30/21/605043021.db2.gz GOUTYPDNKNYQAI-DGCLKSJQSA-N -1 1 271.316 3.486 20 0 CGADMM CCCN(C/C(Cl)=C/Cl)C1CCN(C(=O)[O-])CC1 ZINC000826904368 605480354 /nfs/dbraw/zinc/48/03/54/605480354.db2.gz RRIMKJGPILMWGF-NTMALXAHSA-N -1 1 295.210 3.160 20 0 CGADMM Cc1cc(Cl)ccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000826267692 608101227 /nfs/dbraw/zinc/10/12/27/608101227.db2.gz QMLTWBJHLPBUIT-UHFFFAOYSA-N -1 1 289.726 3.034 20 0 CGADMM Cc1cc(Cl)ccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000826267692 608101228 /nfs/dbraw/zinc/10/12/28/608101228.db2.gz QMLTWBJHLPBUIT-UHFFFAOYSA-N -1 1 289.726 3.034 20 0 CGADMM O=C(NC[C@@H]1CC=CCC1)c1c([O-])cccc1Cl ZINC000049295081 619726765 /nfs/dbraw/zinc/72/67/65/619726765.db2.gz YUCVUXXTCCVGJO-SNVBAGLBSA-N -1 1 265.740 3.132 20 0 CGADMM C[C@@H]1CC[C@@H](CNC(=O)c2c([O-])cccc2Cl)C1 ZINC000794257440 619741050 /nfs/dbraw/zinc/74/10/50/619741050.db2.gz ACDJSEIEVJCPNW-NXEZZACHSA-N -1 1 267.756 3.212 20 0 CGADMM O=C(Nc1ccc(F)nc1)Nc1ccc([O-])c(Cl)c1 ZINC000192236941 619768817 /nfs/dbraw/zinc/76/88/17/619768817.db2.gz JTASATGAALEBHO-UHFFFAOYSA-N -1 1 281.674 3.224 20 0 CGADMM C[C@H]1C[C@H](C)CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000895464921 619834224 /nfs/dbraw/zinc/83/42/24/619834224.db2.gz KQWVJDHWROTEBE-RYUDHWBXSA-N -1 1 299.370 3.369 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000898575667 620597327 /nfs/dbraw/zinc/59/73/27/620597327.db2.gz WIOWVCKFJKZIFI-DTWKUNHWSA-N -1 1 291.244 3.214 20 0 CGADMM O=C([O-])c1ccc(CNCc2ccc3c(c2)CCCC3)o1 ZINC000901652846 620967192 /nfs/dbraw/zinc/96/71/92/620967192.db2.gz CXDLTWXUFOVJOE-UHFFFAOYSA-N -1 1 285.343 3.146 20 0 CGADMM CC(C)CCn1cccc1CNCc1cc(C(=O)[O-])co1 ZINC000901954869 621079808 /nfs/dbraw/zinc/07/98/08/621079808.db2.gz TVFACXKLHNWZIF-UHFFFAOYSA-N -1 1 290.363 3.115 20 0 CGADMM O=C([O-])c1occc1CN[C@H]1CCSc2ccccc21 ZINC000902068802 621124013 /nfs/dbraw/zinc/12/40/13/621124013.db2.gz FEKXYYWNENZXKC-LBPRGKRZSA-N -1 1 289.356 3.305 20 0 CGADMM Cc1cccc(C2(NCc3cccc(C(=O)[O-])n3)CCC2)c1 ZINC000902441611 621320859 /nfs/dbraw/zinc/32/08/59/621320859.db2.gz BHKOCDNFBPKCNT-UHFFFAOYSA-N -1 1 296.370 3.257 20 0 CGADMM Cc1ccc(CN(Cc2cc(C(=O)[O-])no2)C(C)C)s1 ZINC000902514385 621358439 /nfs/dbraw/zinc/35/84/39/621358439.db2.gz CDPSWYKSDCJFIK-UHFFFAOYSA-N -1 1 294.376 3.153 20 0 CGADMM COc1ccc(C(=O)[O-])cc1C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000903608067 621771252 /nfs/dbraw/zinc/77/12/52/621771252.db2.gz XCFPXXLZRNKFJS-JTQLQIEISA-N -1 1 299.317 3.013 20 0 CGADMM COc1ccc(C(=O)[O-])cc1CN1CCC(F)(F)C[C@@H]1C ZINC000903608067 621771255 /nfs/dbraw/zinc/77/12/55/621771255.db2.gz XCFPXXLZRNKFJS-JTQLQIEISA-N -1 1 299.317 3.013 20 0 CGADMM CC1(C)CCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])C1 ZINC000903891577 621823712 /nfs/dbraw/zinc/82/37/12/621823712.db2.gz QFYJYQPOVADCLC-UHFFFAOYSA-N -1 1 291.269 3.229 20 0 CGADMM Cc1cccc(C)c1CN(C)Cc1occc1C(=O)[O-] ZINC000903944368 621839298 /nfs/dbraw/zinc/83/92/98/621839298.db2.gz LDZCHNNHBNSJKJ-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM COc1cnc(C=Cc2cccc(C3CC3)c2)[n-]c1=O ZINC000905076793 622037690 /nfs/dbraw/zinc/03/76/90/622037690.db2.gz KPCLGYKLVOGUBI-YVMONPNESA-N -1 1 268.316 3.239 20 0 CGADMM Cc1nsc(C)c1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000905368963 622065050 /nfs/dbraw/zinc/06/50/50/622065050.db2.gz FSANTWLYMOUAEX-UHFFFAOYSA-N -1 1 290.388 3.090 20 0 CGADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908709005 622368929 /nfs/dbraw/zinc/36/89/29/622368929.db2.gz FRRUUVQBLGMOGX-IUCAKERBSA-N -1 1 298.180 3.385 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CC12CCC2 ZINC000908708799 622368969 /nfs/dbraw/zinc/36/89/69/622368969.db2.gz BGAACFQEPDBCTF-MRVPVSSYSA-N -1 1 296.164 3.283 20 0 CGADMM CC[C@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908714787 622370088 /nfs/dbraw/zinc/37/00/88/622370088.db2.gz MSQHLCZQZDZGSW-ZETCQYMHSA-N -1 1 272.142 3.139 20 0 CGADMM CC(C)(C(=O)Nc1cc([O-])c(F)cc1F)[C@@H]1CCCCO1 ZINC000909972344 622439872 /nfs/dbraw/zinc/43/98/72/622439872.db2.gz KXOOLOLPQPITTI-ZDUSSCGKSA-N -1 1 299.317 3.204 20 0 CGADMM CC1(C)CC[C@@H](CC(=O)Nc2cc([O-])c(F)cc2F)OC1 ZINC000909971005 622439886 /nfs/dbraw/zinc/43/98/86/622439886.db2.gz CDOYWEQXLTUPOG-VIFPVBQESA-N -1 1 299.317 3.204 20 0 CGADMM C[C@@H](CC(=O)Nc1cc([O-])c(F)cc1F)C(F)(F)F ZINC000909970965 622440033 /nfs/dbraw/zinc/44/00/33/622440033.db2.gz BVOYRZMPTQDNAM-YFKPBYRVSA-N -1 1 283.196 3.197 20 0 CGADMM C[C@H](CC(=O)Nc1cc([O-])c(F)cc1F)C(F)(F)F ZINC000909970963 622440452 /nfs/dbraw/zinc/44/04/52/622440452.db2.gz BVOYRZMPTQDNAM-RXMQYKEDSA-N -1 1 283.196 3.197 20 0 CGADMM CC(C)(C)c1cc(C(=O)Nc2cc([O-])c(F)cc2F)no1 ZINC000909983311 622444697 /nfs/dbraw/zinc/44/46/97/622444697.db2.gz UIRQLCQQJMEZFK-UHFFFAOYSA-N -1 1 296.273 3.208 20 0 CGADMM C[C@@H]1CC[C@H](CC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909983690 622445333 /nfs/dbraw/zinc/44/53/33/622445333.db2.gz AQCHZKJOELBRCB-BDAKNGLRSA-N -1 1 269.291 3.435 20 0 CGADMM CC(F)(F)CCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910981730 622512202 /nfs/dbraw/zinc/51/22/02/622512202.db2.gz QOSWHMFBUSBJIO-UHFFFAOYSA-N -1 1 265.206 3.044 20 0 CGADMM CC(C)=C(C)CC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910987775 622512949 /nfs/dbraw/zinc/51/29/49/622512949.db2.gz VWXDAPZGNRANRT-UHFFFAOYSA-N -1 1 255.264 3.355 20 0 CGADMM Cc1noc(C2CC2)c1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984572 622513218 /nfs/dbraw/zinc/51/32/18/622513218.db2.gz XVHSUVZCWIDXRM-UHFFFAOYSA-N -1 1 294.257 3.097 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910982934 622513645 /nfs/dbraw/zinc/51/36/45/622513645.db2.gz MODXWLBJLVZYJI-JGVFFNPUSA-N -1 1 255.264 3.045 20 0 CGADMM C/C(=C(/F)C(=O)Nc1cccc(F)c1[O-])C1CC1 ZINC000913158902 622733969 /nfs/dbraw/zinc/73/39/69/622733969.db2.gz LIJXVLHKRGMDMC-XFFZJAGNSA-N -1 1 253.248 3.123 20 0 CGADMM COc1cccc(F)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000088080817 623414225 /nfs/dbraw/zinc/41/42/25/623414225.db2.gz OGQJVOMBGIORTI-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM C[C@H]1CCC[C@H](C)N1[N-]C(=O)C(F)(F)c1ccccc1 ZINC000916032092 624106159 /nfs/dbraw/zinc/10/61/59/624106159.db2.gz ONBDKPZRZFBRJH-RYUDHWBXSA-N -1 1 282.334 3.073 20 0 CGADMM CCn1c(C)cc(C=C2SC(=S)[N-]C2=O)c1C ZINC000033313205 624263966 /nfs/dbraw/zinc/26/39/66/624263966.db2.gz GGVNEIPBUXHWIQ-POHAHGRESA-N -1 1 266.391 3.454 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2nc(C(C)C)ns2)n1 ZINC000917507639 624276974 /nfs/dbraw/zinc/27/69/74/624276974.db2.gz CNDOPWBSSDLFHL-UHFFFAOYSA-N -1 1 296.421 3.012 20 0 CGADMM CC(C)C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000070266944 624993621 /nfs/dbraw/zinc/99/36/21/624993621.db2.gz QEASTDLUEMQXLM-NSHDSACASA-N -1 1 259.271 3.452 20 0 CGADMM CCOCCO[N-]C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000184788616 625270962 /nfs/dbraw/zinc/27/09/62/625270962.db2.gz HLCXALSCRAUABP-ZDUSSCGKSA-N -1 1 287.359 3.028 20 0 CGADMM Cc1cccnc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000804923812 626363626 /nfs/dbraw/zinc/36/36/26/626363626.db2.gz ZRVADIYGAUWIMW-UHFFFAOYSA-N -1 1 299.351 3.494 20 0 CGADMM CC(C)C[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000752631007 626434138 /nfs/dbraw/zinc/43/41/38/626434138.db2.gz PEMIKKNVHXAKJN-VIFPVBQESA-N -1 1 255.745 3.210 20 0 CGADMM Cc1nc(Cl)ccc1C(=O)Nc1ccc(F)cc1[O-] ZINC000752625305 626434336 /nfs/dbraw/zinc/43/43/36/626434336.db2.gz GDAFTWWARUKCGP-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM C[C@@]1(CNC(=O)c2c([O-])cccc2Cl)CCCS1 ZINC000759094330 626874043 /nfs/dbraw/zinc/87/40/43/626874043.db2.gz OQQGRQNQXTZTJK-ZDUSSCGKSA-N -1 1 285.796 3.061 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H]2CCc3ccccc3C2)n1 ZINC000767057498 627379181 /nfs/dbraw/zinc/37/91/81/627379181.db2.gz MZYULDSUIKKRIX-CQSZACIVSA-N -1 1 286.400 3.394 20 0 CGADMM O=C(NCc1ccnc2ccccc12)c1ccc([O-])c(F)c1 ZINC000768227110 627469592 /nfs/dbraw/zinc/46/95/92/627469592.db2.gz FJWXDNGHIZFGTR-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM CCCC(C)(C)NC(=O)c1c([O-])cccc1Cl ZINC000769737850 627575616 /nfs/dbraw/zinc/57/56/16/627575616.db2.gz JFODMIKGBFNIDI-UHFFFAOYSA-N -1 1 255.745 3.354 20 0 CGADMM CN(C(=O)c1c([O-])cccc1Cl)C(C1CC1)C1CC1 ZINC000769738245 627575629 /nfs/dbraw/zinc/57/56/29/627575629.db2.gz OOYSDCNRHKVNSY-UHFFFAOYSA-N -1 1 279.767 3.306 20 0 CGADMM CC1(C)CCC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769957106 627592717 /nfs/dbraw/zinc/59/27/17/627592717.db2.gz JYHGBIZFUQWJNO-NSHDSACASA-N -1 1 267.756 3.354 20 0 CGADMM O=C(N[C@@H]1CC12CCC2)c1ccc(C(F)(F)F)c([O-])c1 ZINC000874781430 634610168 /nfs/dbraw/zinc/61/01/68/634610168.db2.gz XTQKUWJZWPYRGA-LLVKDONJSA-N -1 1 285.265 3.083 20 0 CGADMM C[C@H](Cc1cccc(F)c1)C(=O)[N-]Oc1ccccc1 ZINC000773464392 627886417 /nfs/dbraw/zinc/88/64/17/627886417.db2.gz CUFNPVBXXHELIQ-GFCCVEGCSA-N -1 1 273.307 3.115 20 0 CGADMM O=C(OCc1cccc(F)c1F)c1ccc([O-])cc1F ZINC000773569695 627898030 /nfs/dbraw/zinc/89/80/30/627898030.db2.gz VVWVMAGNHDNZBS-UHFFFAOYSA-N -1 1 282.217 3.167 20 0 CGADMM CC[C@H]1[C@H](C)CCN1C(=O)c1c([O-])cccc1Cl ZINC000775318413 628081887 /nfs/dbraw/zinc/08/18/87/628081887.db2.gz HOUCKONOPVOOAS-KOLCDFICSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc2[nH]cnc21 ZINC000780991416 628529011 /nfs/dbraw/zinc/52/90/11/628529011.db2.gz FVQUGNAFRSKSHY-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM COCC[C@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000783531239 628722339 /nfs/dbraw/zinc/72/23/39/628722339.db2.gz BDLCNIFRSBLJHN-ZETCQYMHSA-N -1 1 293.146 3.281 20 0 CGADMM CCCCS[C@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000789930191 629174545 /nfs/dbraw/zinc/17/45/45/629174545.db2.gz GUEOCFFNMDZZMY-MRVPVSSYSA-N -1 1 288.800 3.301 20 0 CGADMM O=C(CCCC(F)(F)F)Nc1nc(Cl)ccc1[O-] ZINC000790052572 629180711 /nfs/dbraw/zinc/18/07/11/629180711.db2.gz ZENMFGGTMVPSET-UHFFFAOYSA-N -1 1 282.649 3.112 20 0 CGADMM CC[C@H](C)CC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000791497469 629282673 /nfs/dbraw/zinc/28/26/73/629282673.db2.gz LFLPYSJGOUCFOX-NSHDSACASA-N -1 1 278.348 3.117 20 0 CGADMM C[C@@H]1CCSCCN1C(=O)c1c([O-])cccc1Cl ZINC000791907582 629318115 /nfs/dbraw/zinc/31/81/15/629318115.db2.gz UXRXETWJIOSMQE-SECBINFHSA-N -1 1 285.796 3.013 20 0 CGADMM O=C(C[C@H]1CCC(F)(F)C1)Nc1cccc(F)c1[O-] ZINC000863008580 629459363 /nfs/dbraw/zinc/45/93/63/629459363.db2.gz XFXKNVKUSCNGDY-MRVPVSSYSA-N -1 1 273.254 3.295 20 0 CGADMM CC(F)(F)C(=O)[N-]C1(c2c(F)cccc2F)CCC1 ZINC000863837407 629681610 /nfs/dbraw/zinc/68/16/10/629681610.db2.gz RUTULNZUTWINTL-UHFFFAOYSA-N -1 1 275.245 3.115 20 0 CGADMM C[C@@H](O)CCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000795497077 629683954 /nfs/dbraw/zinc/68/39/54/629683954.db2.gz ACYNZBBZOLWNJZ-SSDOTTSWSA-N -1 1 293.146 3.017 20 0 CGADMM COC(=O)c1ccc(C(=O)Oc2ccccc2C(C)C)[n-]1 ZINC000796732010 629822792 /nfs/dbraw/zinc/82/27/92/629822792.db2.gz MLHROKYZKUBJKZ-UHFFFAOYSA-N -1 1 287.315 3.144 20 0 CGADMM O=C(OCCCCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000803341416 630465610 /nfs/dbraw/zinc/46/56/10/630465610.db2.gz NKZPOJXNGYJWSY-UHFFFAOYSA-N -1 1 293.146 3.018 20 0 CGADMM CCOC1(C)CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000816787931 632051364 /nfs/dbraw/zinc/05/13/64/632051364.db2.gz MHUOZTBBFHWEBC-UHFFFAOYSA-N -1 1 297.782 3.077 20 0 CGADMM O=C([N-][C@@H](C1CCC1)C1CCCCC1)C(F)(F)F ZINC000844051859 635810963 /nfs/dbraw/zinc/81/09/63/635810963.db2.gz MRASRWDBHPLWKS-LLVKDONJSA-N -1 1 263.303 3.414 20 0 CGADMM COc1cnc(C=Cc2ccccc2Cl)[n-]c1=O ZINC000821007569 632711638 /nfs/dbraw/zinc/71/16/38/632711638.db2.gz JEUCIJCFMWRCJK-VOTSOKGWSA-N -1 1 262.696 3.015 20 0 CGADMM O=C(NCC[C@H]1CCCS1)c1c([O-])cccc1Cl ZINC000871033812 633685639 /nfs/dbraw/zinc/68/56/39/633685639.db2.gz ICLPXTMSKISOIR-SECBINFHSA-N -1 1 285.796 3.061 20 0 CGADMM CCC(F)(F)C(=O)[N-]Cc1c(F)cccc1OC(F)F ZINC000829415096 633731449 /nfs/dbraw/zinc/73/14/49/633731449.db2.gz JWTATVQIDPBHLU-UHFFFAOYSA-N -1 1 297.223 3.089 20 0 CGADMM CC(C)(C)C(=O)CCCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000830184494 633837084 /nfs/dbraw/zinc/83/70/84/633837084.db2.gz IOIZYRNYGBXUFF-UHFFFAOYSA-N -1 1 298.770 3.165 20 0 CGADMM CC1(c2nc(-c3ccc([O-])c(F)c3)no2)CC(F)(F)C1 ZINC000871843173 633888893 /nfs/dbraw/zinc/88/88/93/633888893.db2.gz KMLCBHMTQXIOKH-UHFFFAOYSA-N -1 1 284.237 3.268 20 0 CGADMM CCc1[n-]n([C@H](C)c2ccc(Cl)cc2)c(=O)c1F ZINC000871949693 633923853 /nfs/dbraw/zinc/92/38/53/633923853.db2.gz JRHHDIOVZPTQNS-PELKAZGASA-N -1 1 268.719 3.347 20 0 CGADMM CCc1[n-]n(Cc2cccc(Cl)c2Cl)c(=O)c1F ZINC000871959764 633929665 /nfs/dbraw/zinc/92/96/65/633929665.db2.gz PSSVLIHHWZPWSC-LLVKDONJSA-N -1 1 289.137 3.440 20 0 CGADMM O=C(NCCC[C@@H]1C=CCC1)c1ccc([O-])cc1F ZINC000834327729 634143590 /nfs/dbraw/zinc/14/35/90/634143590.db2.gz VVOOGWPPQWMHSH-LLVKDONJSA-N -1 1 263.312 3.008 20 0 CGADMM CC(C)c1nocc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834818045 634246771 /nfs/dbraw/zinc/24/67/71/634246771.db2.gz FHFUHYFROVUXBW-UHFFFAOYSA-N -1 1 294.738 3.087 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1[nH]ccc1C1CC1 ZINC000834823522 634248208 /nfs/dbraw/zinc/24/82/08/634248208.db2.gz YKXSRHVVNMNBBT-UHFFFAOYSA-N -1 1 290.750 3.181 20 0 CGADMM O=C(OC[C@@H]1CCC(F)(F)C1)c1c([O-])cc(F)cc1F ZINC000837474707 634915881 /nfs/dbraw/zinc/91/58/81/634915881.db2.gz FHAYWTDTEAVHPP-SSDOTTSWSA-N -1 1 292.228 3.263 20 0 CGADMM CCCCc1oc2ccccc2c1CNC[C@@H](F)C(=O)[O-] ZINC000841816473 635239293 /nfs/dbraw/zinc/23/92/93/635239293.db2.gz VMAUUESKXMDYBV-CYBMUJFWSA-N -1 1 293.338 3.288 20 0 CGADMM Cc1ccc2c(c1)N[C@H](c1cccc([O-])c1Cl)NC2=O ZINC000877863313 635245316 /nfs/dbraw/zinc/24/53/16/635245316.db2.gz DQHOMXJYDNKLPC-AWEZNQCLSA-N -1 1 288.734 3.208 20 0 CGADMM Cc1nc(C(C)C)ncc1C(=O)Nc1cccc(F)c1[O-] ZINC000880853405 636054014 /nfs/dbraw/zinc/05/40/14/636054014.db2.gz CSZZICKQFBGBGD-UHFFFAOYSA-N -1 1 289.310 3.005 20 0 CGADMM CCC[C@@H](C)CCNC(=O)c1c(F)ccc([O-])c1F ZINC000881531263 636134397 /nfs/dbraw/zinc/13/43/97/636134397.db2.gz GWMHIDYDNFSJSM-SECBINFHSA-N -1 1 271.307 3.227 20 0 CGADMM CC(C)(CNC(=O)c1c([O-])cccc1Cl)CC(F)F ZINC000881534845 636135599 /nfs/dbraw/zinc/13/55/99/636135599.db2.gz ZMUXSZGLIFEJKG-UHFFFAOYSA-N -1 1 291.725 3.457 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc2nccnc21 ZINC000130498470 636465476 /nfs/dbraw/zinc/46/54/76/636465476.db2.gz XHBQREYUHHMFOA-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM CCc1nc(SC[C@@H]2CC2(Cl)Cl)[n-]c(=O)c1C ZINC000849920890 636909177 /nfs/dbraw/zinc/90/91/77/636909177.db2.gz GGQXIEVWHPXKKN-ZETCQYMHSA-N -1 1 293.219 3.339 20 0 CGADMM [O-]c1ccc(-c2noc(C3CC4(CC4(F)F)C3)n2)c(F)c1 ZINC000854051830 637978385 /nfs/dbraw/zinc/97/83/85/637978385.db2.gz ZNLFMXDAOXWPSL-UHFFFAOYSA-N -1 1 296.248 3.484 20 0 CGADMM C[C@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCCCO1 ZINC000885678789 638048757 /nfs/dbraw/zinc/04/87/57/638048757.db2.gz VZMLGKKPMCIARM-CYBMUJFWSA-N -1 1 287.718 3.082 20 0 CGADMM CC1(C)Cc2cccc(Oc3cc(Cl)nc(=O)[n-]3)c2O1 ZINC000858311284 638677803 /nfs/dbraw/zinc/67/78/03/638677803.db2.gz DFGKJUQOYMMFOO-UHFFFAOYSA-N -1 1 292.722 3.341 20 0 CGADMM C[C@@H]1CC[C@H](Nc2cc(Cl)[n-]c(=O)n2)[C@H](C)C1 ZINC000858410506 638706298 /nfs/dbraw/zinc/70/62/98/638706298.db2.gz TTXUBEGHQLMZHU-HLTSFMKQSA-N -1 1 255.749 3.072 20 0 CGADMM CC(C)[C@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858413064 638707632 /nfs/dbraw/zinc/70/76/32/638707632.db2.gz XUEJWGVCQLXTOK-JTQLQIEISA-N -1 1 269.776 3.098 20 0 CGADMM O=c1nc(NC[C@@H]2CCc3ccccc3C2)cc(Cl)[n-]1 ZINC000858414775 638708853 /nfs/dbraw/zinc/70/88/53/638708853.db2.gz JNGKFKZNTYCCEZ-SNVBAGLBSA-N -1 1 289.766 3.053 20 0 CGADMM C[C@H]1CC(C)(C)CC[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858435674 638717328 /nfs/dbraw/zinc/71/73/28/638717328.db2.gz OKHNKUVOWDJVPH-IUCAKERBSA-N -1 1 269.776 3.462 20 0 CGADMM CC(C)[C@@H](CC(F)(F)F)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858505763 638749160 /nfs/dbraw/zinc/74/91/60/638749160.db2.gz ANXXCPXNLDSXMA-ZCFIWIBFSA-N -1 1 283.681 3.225 20 0 CGADMM C[C@@H]1CCC[C@@H](CNc2cc(Cl)[n-]c(=O)n2)[C@H]1C ZINC000858525565 638754977 /nfs/dbraw/zinc/75/49/77/638754977.db2.gz ZBVUPLPUVUWYCR-UTLUCORTSA-N -1 1 269.776 3.320 20 0 CGADMM O=c1nc(N[C@H]2C[C@H](c3ccccc3)C2)cc(Cl)[n-]1 ZINC000858525234 638755265 /nfs/dbraw/zinc/75/52/65/638755265.db2.gz BAOWVTBUXYXKPD-XYPYZODXSA-N -1 1 275.739 3.194 20 0 CGADMM O=c1nc(N2CCC[C@H](CC(F)(F)F)C2)cc(Cl)[n-]1 ZINC000858573378 638996066 /nfs/dbraw/zinc/99/60/66/638996066.db2.gz FHKOFJBTAMTDHD-SSDOTTSWSA-N -1 1 295.692 3.004 20 0 CGADMM CN(C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C1CCC1 ZINC000933614937 639470657 /nfs/dbraw/zinc/47/06/57/639470657.db2.gz YFRYKLJJNSQYCX-UHFFFAOYSA-N -1 1 299.326 3.089 20 0 CGADMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(F)cn1 ZINC000191520974 640317096 /nfs/dbraw/zinc/31/70/96/640317096.db2.gz MQJCGVZNPHOJBB-UHFFFAOYSA-N -1 1 270.666 3.331 20 0 CGADMM CSc1cc(O)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000191556650 640319710 /nfs/dbraw/zinc/31/97/10/640319710.db2.gz XFNMRCQKZOSZRB-UHFFFAOYSA-N -1 1 293.319 3.211 20 0 CGADMM O=C(NCc1ccc(Cl)nc1)c1ccc(Cl)cc1[O-] ZINC000078978051 640360685 /nfs/dbraw/zinc/36/06/85/640360685.db2.gz BMALSFCNKOATNQ-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM O=C([O-])c1ccc(-c2nc3c([nH]2)c(F)c(F)cc3F)cc1 ZINC001250480270 805644196 /nfs/dbraw/zinc/64/41/96/805644196.db2.gz VZDNMNYUHWXZFZ-UHFFFAOYSA-N -1 1 292.216 3.345 20 0 CGADMM Cc1cccc2nc(-c3ccccc3OCC(=O)[O-])[nH]c21 ZINC001251042797 805835924 /nfs/dbraw/zinc/83/59/24/805835924.db2.gz ZIHLGTNACWXXCI-UHFFFAOYSA-N -1 1 282.299 3.002 20 0 CGADMM COc1ccc2[nH]c(-c3c(F)ccc([O-])c3F)nc2c1 ZINC001251335781 805884436 /nfs/dbraw/zinc/88/44/36/805884436.db2.gz PSCSBJTZQPJOKZ-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM CCC[C@@H](NC(=O)c1cccc([O-])c1F)C(C)(C)C ZINC001158429419 805953015 /nfs/dbraw/zinc/95/30/15/805953015.db2.gz MSAATUKYYFIHKF-GFCCVEGCSA-N -1 1 267.344 3.476 20 0 CGADMM COc1cccc([O-])c1-c1nnc(-c2ccc(F)cc2)o1 ZINC001252163987 806027132 /nfs/dbraw/zinc/02/71/32/806027132.db2.gz VTKLQNSWOIOFOT-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1Nc1cccc2[nH]ncc21 ZINC001159573958 806123810 /nfs/dbraw/zinc/12/38/10/806123810.db2.gz DOZALLDMTGLMDW-UHFFFAOYSA-N -1 1 267.288 3.313 20 0 CGADMM COc1cccc([O-])c1-c1nnc(Cc2ccccc2)o1 ZINC001253488925 806227661 /nfs/dbraw/zinc/22/76/61/806227661.db2.gz GWYWXRUVDMJAJZ-UHFFFAOYSA-N -1 1 282.299 3.042 20 0 CGADMM CC(C)(C)[C@H](O)CNc1cc([O-])c(Cl)cc1F ZINC001253733164 806287567 /nfs/dbraw/zinc/28/75/67/806287567.db2.gz KQTQFBCYWWJBSJ-LLVKDONJSA-N -1 1 261.724 3.004 20 0 CGADMM CCCCS(=O)(=O)[N-]c1cc2ccccc2s1 ZINC001253781218 806308556 /nfs/dbraw/zinc/30/85/56/806308556.db2.gz BVSGRBHBOFXQQX-UHFFFAOYSA-N -1 1 269.391 3.443 20 0 CGADMM C[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)c1cccs1 ZINC001160916052 806321330 /nfs/dbraw/zinc/32/13/30/806321330.db2.gz DWJKCVCHBGHROW-SSDOTTSWSA-N -1 1 283.299 3.474 20 0 CGADMM Cc1cc(Cl)nc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC001161046484 806341580 /nfs/dbraw/zinc/34/15/80/806341580.db2.gz NCLHQPAZEUOVFJ-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM CC(C)(CCNC(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000328564598 799253330 /nfs/dbraw/zinc/25/33/30/799253330.db2.gz KPBYOKPYGHXJBV-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM O=C([O-])[C@H]1CCCN(Cc2csc(C(F)(F)F)c2)C1 ZINC000703286905 799921586 /nfs/dbraw/zinc/92/15/86/799921586.db2.gz YCTFGDNCSHSUNS-VIFPVBQESA-N -1 1 293.310 3.064 20 0 CGADMM Cc1cc(CN2CC[C@@](C)(C(F)(F)F)C2)oc1C(=O)[O-] ZINC000708923034 799998862 /nfs/dbraw/zinc/99/88/62/799998862.db2.gz BVEFANRZJBJENY-GFCCVEGCSA-N -1 1 291.269 3.061 20 0 CGADMM CC(=O)c1ccsc1NC(=O)c1ccc(C)cc1[O-] ZINC000709248761 800006119 /nfs/dbraw/zinc/00/61/19/800006119.db2.gz JPFZBWQNAOLPSP-UHFFFAOYSA-N -1 1 275.329 3.217 20 0 CGADMM CCN(C(=O)c1ccc(O)cc1[O-])c1cccc(C)c1C ZINC001116514204 802369239 /nfs/dbraw/zinc/36/92/39/802369239.db2.gz BFNRBWHPTHKJAN-UHFFFAOYSA-N -1 1 285.343 3.381 20 0 CGADMM CCC(F)(F)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001118758397 802598551 /nfs/dbraw/zinc/59/85/51/802598551.db2.gz JSFAVXOMNIQUBP-UHFFFAOYSA-N -1 1 294.095 3.139 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)c([O-])c(F)c2)cc1 ZINC001244093135 803181099 /nfs/dbraw/zinc/18/10/99/803181099.db2.gz BTQHEVHSUXZVLT-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM Cc1cc(C(N)=O)cc(C)c1-c1cc(F)c([O-])c(F)c1 ZINC001244097003 803185220 /nfs/dbraw/zinc/18/52/20/803185220.db2.gz LSKNMYWGQUATED-UHFFFAOYSA-N -1 1 277.270 3.053 20 0 CGADMM O=c1ccc2ccc(-c3cc(F)c([O-])c(F)c3)cc2o1 ZINC001244098239 803186766 /nfs/dbraw/zinc/18/67/66/803186766.db2.gz URWJHBPCWGTDJX-UHFFFAOYSA-N -1 1 274.222 3.444 20 0 CGADMM CCc1ccc(-c2cc(C(=O)[N-]c3nocc3C)no2)cc1 ZINC001128827214 803205193 /nfs/dbraw/zinc/20/51/93/803205193.db2.gz OSEDKWBWVWBQDA-UHFFFAOYSA-N -1 1 297.314 3.453 20 0 CGADMM CCCC[C@H](CC)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129757396 803252633 /nfs/dbraw/zinc/25/26/33/803252633.db2.gz FKQOESRAWWFDNC-NSHDSACASA-N -1 1 291.395 3.216 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1ccc(F)cn1 ZINC001244464612 803380700 /nfs/dbraw/zinc/38/07/00/803380700.db2.gz UZTUUBZPOQLSJD-UHFFFAOYSA-N -1 1 273.185 3.492 20 0 CGADMM COCc1ccc(-c2ccc(OC(F)(F)F)cc2[O-])nc1 ZINC001244461759 803380762 /nfs/dbraw/zinc/38/07/62/803380762.db2.gz DSCGTXOFHXUBGB-UHFFFAOYSA-N -1 1 299.248 3.499 20 0 CGADMM Cc1ccc(-c2ccc(OC(F)(F)F)cc2[O-])nc1N ZINC001244463370 803381547 /nfs/dbraw/zinc/38/15/47/803381547.db2.gz QKSJTFOCWXQPJN-UHFFFAOYSA-N -1 1 284.237 3.243 20 0 CGADMM CCc1ccc(-c2ccc(OC(F)(F)F)cc2[O-])nn1 ZINC001244463316 803381929 /nfs/dbraw/zinc/38/19/29/803381929.db2.gz FOPLOOKWGKSIJZ-UHFFFAOYSA-N -1 1 284.237 3.310 20 0 CGADMM Cc1cncc(-c2ccc(OC(F)(F)F)cc2[O-])n1 ZINC001244464844 803382653 /nfs/dbraw/zinc/38/26/53/803382653.db2.gz VQNKAKQMADMBSB-UHFFFAOYSA-N -1 1 270.210 3.056 20 0 CGADMM Cc1cc(-c2cc(N3CCCC3)ncn2)cc(Cl)c1[O-] ZINC001244536854 803423581 /nfs/dbraw/zinc/42/35/81/803423581.db2.gz POYYKPSTRSKGCE-UHFFFAOYSA-N -1 1 289.766 3.411 20 0 CGADMM Cc1cc(N(C)C)nc(-c2cc(C)c([O-])c(Cl)c2)n1 ZINC001244535909 803424466 /nfs/dbraw/zinc/42/44/66/803424466.db2.gz DVCVQZNFDOXVFV-UHFFFAOYSA-N -1 1 277.755 3.185 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncnc3[nH]ccc32)c1F ZINC001244537458 803425260 /nfs/dbraw/zinc/42/52/60/803425260.db2.gz DTULCRUGOMAASU-UHFFFAOYSA-N -1 1 263.659 3.075 20 0 CGADMM CCc1nccc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244539047 803426488 /nfs/dbraw/zinc/42/64/88/803426488.db2.gz PPYNNAAOQMIYKW-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM Cc1cc(-c2cncc(OC(F)F)n2)cc(Cl)c1[O-] ZINC001244538545 803426955 /nfs/dbraw/zinc/42/69/55/803426955.db2.gz MKSXOZUBSCBMLW-UHFFFAOYSA-N -1 1 286.665 3.412 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccc(-n3ccnn3)cc2)c1F ZINC001244540501 803427700 /nfs/dbraw/zinc/42/77/00/803427700.db2.gz XIZMOOVWVAKTEY-UHFFFAOYSA-N -1 1 289.697 3.432 20 0 CGADMM CN(C)c1ccc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244540467 803428351 /nfs/dbraw/zinc/42/83/51/803428351.db2.gz VVRMGEGZMQFJBA-UHFFFAOYSA-N -1 1 266.703 3.313 20 0 CGADMM CN1Cc2cccc(-c3c(Cl)ccc([O-])c3F)c2C1=O ZINC001244539924 803428624 /nfs/dbraw/zinc/42/86/24/803428624.db2.gz NQIZAZXJCDEKAZ-UHFFFAOYSA-N -1 1 291.709 3.437 20 0 CGADMM CCn1ccc(-c2c(F)c([O-])ccc2Cl)cc1=O ZINC001244541813 803429335 /nfs/dbraw/zinc/42/93/35/803429335.db2.gz GOZFUDSWVWWTED-UHFFFAOYSA-N -1 1 267.687 3.033 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1ccc(N2CCCCC2)nn1 ZINC001245051654 803623108 /nfs/dbraw/zinc/62/31/08/803623108.db2.gz NLJLLXQZTJTCQE-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM CCC(CC)N(C(=O)c1ccc(F)c([O-])c1)C1CC1 ZINC001136556603 803646424 /nfs/dbraw/zinc/64/64/24/803646424.db2.gz HCXRHQWWYQTLCI-UHFFFAOYSA-N -1 1 265.328 3.325 20 0 CGADMM [O-]c1cc(F)ccc1NC(=S)NCCc1ccccc1 ZINC001245320150 803700189 /nfs/dbraw/zinc/70/01/89/803700189.db2.gz BARJBPNOEDYHOC-UHFFFAOYSA-N -1 1 290.363 3.060 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCC[C@@H]1CCC1CCCC1 ZINC001137527097 803739323 /nfs/dbraw/zinc/73/93/23/803739323.db2.gz ORGAFZWFMUBKKC-CQSZACIVSA-N -1 1 288.391 3.362 20 0 CGADMM O=C(N[C@@H]1CC12CCCCC2)c1ncc2ccccc2c1[O-] ZINC001137899597 803797573 /nfs/dbraw/zinc/79/75/73/803797573.db2.gz ZTTRBDVEPZODNN-CQSZACIVSA-N -1 1 296.370 3.393 20 0 CGADMM CC(C)Cn1cccc(-c2c([O-])cccc2F)c1=O ZINC001245653978 803884919 /nfs/dbraw/zinc/88/49/19/803884919.db2.gz IEFFWKJGUDJNBO-UHFFFAOYSA-N -1 1 261.296 3.016 20 0 CGADMM O=c1c(-c2c([O-])cccc2F)cccn1-c1ccccc1F ZINC001245654103 803886325 /nfs/dbraw/zinc/88/63/25/803886325.db2.gz JQDGOGZOLPWDPV-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM CC(C)(O)c1cccc(NC(=O)c2ccc(F)c([O-])c2)c1 ZINC001138328095 803895329 /nfs/dbraw/zinc/89/53/29/803895329.db2.gz WUECWQJIRQIYCE-UHFFFAOYSA-N -1 1 289.306 3.011 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3cnccc32)c1Cl ZINC001245826766 803981632 /nfs/dbraw/zinc/98/16/32/803981632.db2.gz FVDBHYZGECLZIO-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3cnc(F)cc32)c1Cl ZINC001245828670 803982227 /nfs/dbraw/zinc/98/22/27/803982227.db2.gz XYRCXWGTOKVDRM-UHFFFAOYSA-N -1 1 293.660 3.329 20 0 CGADMM COC(=O)c1ccc(F)c(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245829740 803984901 /nfs/dbraw/zinc/98/49/01/803984901.db2.gz BDDUDZDMCVQUDF-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM [O-]c1ccc(F)c(-c2nncc3ccoc32)c1Cl ZINC001245830009 803985260 /nfs/dbraw/zinc/98/52/60/803985260.db2.gz GOEFRTNGRVKJAW-UHFFFAOYSA-N -1 1 264.643 3.388 20 0 CGADMM COC(=O)c1cnccc1-c1c(F)ccc([O-])c1Cl ZINC001245831053 803986579 /nfs/dbraw/zinc/98/65/79/803986579.db2.gz AYNOTCWGZKKNSL-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM CN1Cc2cc(-c3c(F)ccc([O-])c3Cl)ccc2C1=O ZINC001245832223 803986885 /nfs/dbraw/zinc/98/68/85/803986885.db2.gz ODRIOBWUYWGZJJ-UHFFFAOYSA-N -1 1 291.709 3.437 20 0 CGADMM COc1cc(-c2c(F)ccc([O-])c2Cl)cnc1OC ZINC001245833226 803988113 /nfs/dbraw/zinc/98/81/13/803988113.db2.gz WAGSDUCRQVLZCP-UHFFFAOYSA-N -1 1 283.686 3.264 20 0 CGADMM [O-]c1ccc(F)c(-c2ccccc2-c2nn[nH]n2)c1Cl ZINC001245832537 803988399 /nfs/dbraw/zinc/98/83/99/803988399.db2.gz JTJVLKOIJOSMQY-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM CC(C)Cn1cc(-c2c(F)ccc([O-])c2Cl)ncc1=O ZINC001245835535 803988582 /nfs/dbraw/zinc/98/85/82/803988582.db2.gz RFXXZGQNBKKVJN-UHFFFAOYSA-N -1 1 296.729 3.064 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1-n1[nH]c(C2CCCC2)cc1=O ZINC001245928647 804056194 /nfs/dbraw/zinc/05/61/94/804056194.db2.gz NFODYXADJVZKAQ-UHFFFAOYSA-N -1 1 286.331 3.242 20 0 CGADMM Nc1cc(Nc2ccc(F)c(F)c2[O-])ccc1F ZINC001212345566 815009223 /nfs/dbraw/zinc/00/92/23/815009223.db2.gz YKOZWGNYPLVLLZ-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM CC1CCC(C)(CNC(=O)c2c([O-])cccc2F)CC1 ZINC001139960971 804336533 /nfs/dbraw/zinc/33/65/33/804336533.db2.gz GBVWGJQJYVVCOV-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM Cc1[nH]c(CN2CCC[C@@H]2c2cccnc2)c(C)c1C(=O)[O-] ZINC001140493763 804446857 /nfs/dbraw/zinc/44/68/57/804446857.db2.gz JQFVLJSLRMLAAR-OAHLLOKOSA-N -1 1 299.374 3.062 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1sccc1F ZINC001140656828 804484713 /nfs/dbraw/zinc/48/47/13/804484713.db2.gz DXDFITFYONANKP-UHFFFAOYSA-N -1 1 273.235 3.123 20 0 CGADMM Cc1sccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001140657686 804486126 /nfs/dbraw/zinc/48/61/26/804486126.db2.gz VWHWWJWIQDDSOW-UHFFFAOYSA-N -1 1 269.272 3.293 20 0 CGADMM [O-]c1ccc(CN2CCC(OC3CCC3)CC2)c(F)c1F ZINC001140887711 804540414 /nfs/dbraw/zinc/54/04/14/804540414.db2.gz FCJGHVVCSHADCH-UHFFFAOYSA-N -1 1 297.345 3.204 20 0 CGADMM COc1cccc(CN(C)Cc2ccc([O-])c(F)c2F)c1 ZINC001140890433 804542943 /nfs/dbraw/zinc/54/29/43/804542943.db2.gz FWVKMEXEDCPTMY-UHFFFAOYSA-N -1 1 293.313 3.311 20 0 CGADMM CCN(Cc1cccnc1)Cc1ccc([O-])c(F)c1F ZINC001140894485 804545357 /nfs/dbraw/zinc/54/53/57/804545357.db2.gz ZZDRGYVBCZDBPN-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc(-c2c[nH]cn2)cc1 ZINC001165750782 807017712 /nfs/dbraw/zinc/01/77/12/807017712.db2.gz AAERMJGVSDHPRK-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C([O-])c1ccc(CN2CC=C(c3ccccc3)CC2)o1 ZINC001140947664 804555446 /nfs/dbraw/zinc/55/54/46/804555446.db2.gz ZSXXRYWZFKQBNE-UHFFFAOYSA-N -1 1 283.327 3.267 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@H]1C1CCCC1 ZINC001142018951 804689232 /nfs/dbraw/zinc/68/92/32/804689232.db2.gz CPNQAEWARLABAY-AWEZNQCLSA-N -1 1 277.339 3.326 20 0 CGADMM O=C(NCc1ccnc(Cl)c1)c1c([O-])cccc1Cl ZINC001142182694 804701465 /nfs/dbraw/zinc/70/14/65/804701465.db2.gz BGSOIFAIHWQVBP-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM CSc1cc(NC(=O)c2cncc([O-])c2)ccc1Cl ZINC001142246795 804706823 /nfs/dbraw/zinc/70/68/23/804706823.db2.gz XRTMXHYOMQVHCM-UHFFFAOYSA-N -1 1 294.763 3.415 20 0 CGADMM CC[C@@H](NC(=O)c1c([O-])cccc1F)[C@@H]1CC1(C)C ZINC001142506348 804727779 /nfs/dbraw/zinc/72/77/79/804727779.db2.gz PDGNAUANKAAQAE-GXSJLCMTSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(NC[C@@H]1CC2CCC1CC2)c1ccc([O-])c(F)c1 ZINC001142971550 804792197 /nfs/dbraw/zinc/79/21/97/804792197.db2.gz JOCHQLKEKAJTNT-XIVSLSHWSA-N -1 1 277.339 3.087 20 0 CGADMM Cc1nc(SC[C@@H]2CCCC(C)(C)O2)[n-]c(=O)c1C ZINC001165918442 807026489 /nfs/dbraw/zinc/02/64/89/807026489.db2.gz YWQMNOBYZKASSQ-NSHDSACASA-N -1 1 282.409 3.239 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@H]2c2cccnc2)c(F)c1 ZINC001144542354 805002274 /nfs/dbraw/zinc/00/22/74/805002274.db2.gz UOCCRHFIEFWEBW-MRXNPFEDSA-N -1 1 290.313 3.403 20 0 CGADMM COc1ccc2c(c1)CN(Cc1c(F)cc([O-])cc1F)C2 ZINC001144555033 805003663 /nfs/dbraw/zinc/00/36/63/805003663.db2.gz RKQAYPUKVYQJJH-UHFFFAOYSA-N -1 1 291.297 3.195 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](c2ccccc2)C2CCC2)c([O-])c1 ZINC001144621985 805012783 /nfs/dbraw/zinc/01/27/83/805012783.db2.gz BLDQHDMNCRHOID-INIZCTEOSA-N -1 1 296.370 3.367 20 0 CGADMM CN(Cc1cccc(O)c1)Cc1cc(F)c([O-])cc1F ZINC001144648440 805022385 /nfs/dbraw/zinc/02/23/85/805022385.db2.gz SOWJGFZWFBWEFM-UHFFFAOYSA-N -1 1 279.286 3.008 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H](C(F)F)C2)cc1F ZINC001144657841 805024698 /nfs/dbraw/zinc/02/46/98/805024698.db2.gz KNTSBRDQZMZUCY-QMMMGPOBSA-N -1 1 277.261 3.148 20 0 CGADMM [O-]c1cc(F)c(CN2Cc3cnc(Cl)cc3C2)cc1F ZINC001144663788 805029078 /nfs/dbraw/zinc/02/90/78/805029078.db2.gz JEDHCFQBBSCADY-UHFFFAOYSA-N -1 1 296.704 3.235 20 0 CGADMM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1ccc([O-])cn1 ZINC001166231596 807041460 /nfs/dbraw/zinc/04/14/60/807041460.db2.gz DSWLFFIYVHCSRE-MRXNPFEDSA-N -1 1 296.370 3.381 20 0 CGADMM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC001145023690 805060676 /nfs/dbraw/zinc/06/06/76/805060676.db2.gz WQVRGMFLEUUWBA-DZGCQCFKSA-N -1 1 285.318 3.126 20 0 CGADMM C[C@H]1CCCCN1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249760764 805236006 /nfs/dbraw/zinc/23/60/06/805236006.db2.gz QXYNMNMGRHTGEC-VIFPVBQESA-N -1 1 269.291 3.037 20 0 CGADMM Nc1cccc2c1N(c1cc([O-])c(F)c(F)c1F)CCC2 ZINC001249965703 805332698 /nfs/dbraw/zinc/33/26/98/805332698.db2.gz HMLZNYZDVYGFRB-UHFFFAOYSA-N -1 1 294.276 3.476 20 0 CGADMM O=c1[nH]cccc1Nc1cc(Cl)c([O-])cc1F ZINC001250020977 805371240 /nfs/dbraw/zinc/37/12/40/805371240.db2.gz VOJBEQFUKGOYQD-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM COC(=O)c1ccncc1Nc1cc(Cl)c([O-])cc1F ZINC001250020762 805372819 /nfs/dbraw/zinc/37/28/19/805372819.db2.gz QNBQLAQEWWEHMB-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM O=C(Nc1ccsn1)c1ccc(C(F)(F)F)cc1[O-] ZINC001152974212 805375793 /nfs/dbraw/zinc/37/57/93/805375793.db2.gz PSTDGGASUSGXKD-UHFFFAOYSA-N -1 1 288.250 3.120 20 0 CGADMM COCCn1nc(C)cc1Nc1cc(Cl)c([O-])cc1F ZINC001250023684 805375979 /nfs/dbraw/zinc/37/59/79/805375979.db2.gz VPAHPVDVVMFWEV-UHFFFAOYSA-N -1 1 299.733 3.080 20 0 CGADMM NC(=O)c1ccc(F)c(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250025645 805376963 /nfs/dbraw/zinc/37/69/63/805376963.db2.gz FADVIMSLUJLKEX-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1ccc[nH]1 ZINC001153409638 805395606 /nfs/dbraw/zinc/39/56/06/805395606.db2.gz YQLMWKAXQRRXNB-SNVBAGLBSA-N -1 1 296.326 3.070 20 0 CGADMM CN(C(=O)c1c([O-])ccc2ccccc21)C(C)(C)C ZINC001153504587 805400479 /nfs/dbraw/zinc/40/04/79/805400479.db2.gz DHOBWRRTIGVQMM-UHFFFAOYSA-N -1 1 257.333 3.416 20 0 CGADMM O=C([N-]c1nsc2ncccc12)c1nc2ccccc2o1 ZINC001153572767 805404261 /nfs/dbraw/zinc/40/42/61/805404261.db2.gz DKSNBRYFXRYNLJ-UHFFFAOYSA-N -1 1 296.311 3.085 20 0 CGADMM O=C(Cc1cc(F)c([O-])cc1F)c1ccc(F)cc1 ZINC001250135167 805436091 /nfs/dbraw/zinc/43/60/91/805436091.db2.gz JFOUDJOFXOGIHP-UHFFFAOYSA-N -1 1 266.218 3.235 20 0 CGADMM COc1ccc(Nc2c(F)ccc([O-])c2Cl)nc1OC ZINC001250228309 805504550 /nfs/dbraw/zinc/50/45/50/805504550.db2.gz WABGLEUUADEXCI-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM [O-]c1ccc(F)c(Nc2cnc3c(c2)COCC3)c1Cl ZINC001250228186 805505002 /nfs/dbraw/zinc/50/50/02/805505002.db2.gz PIOZWZWWHITCRU-UHFFFAOYSA-N -1 1 294.713 3.396 20 0 CGADMM [O-]c1ccc(F)c(Nc2cncc(F)c2)c1Cl ZINC001250227887 805505596 /nfs/dbraw/zinc/50/55/96/805505596.db2.gz BBDNEBMUYHLYOU-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM CN(C)c1cncc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250230087 805506924 /nfs/dbraw/zinc/50/69/24/805506924.db2.gz UUPPPTQWDCZBDK-UHFFFAOYSA-N -1 1 281.718 3.389 20 0 CGADMM Cc1cn(-c2c(F)ccc([O-])c2Cl)c2ncc(N)cc12 ZINC001250234607 805509331 /nfs/dbraw/zinc/50/93/31/805509331.db2.gz SXEFKLXBJGQTAV-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM [O-]c1ccc(F)c(Nc2ccnn2CCF)c1Cl ZINC001250234225 805509662 /nfs/dbraw/zinc/50/96/62/805509662.db2.gz LSNDALQSMCNDFB-UHFFFAOYSA-N -1 1 273.670 3.094 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1c(F)ccc(CO)c1F ZINC001250260606 805530150 /nfs/dbraw/zinc/53/01/50/805530150.db2.gz IYSTWBCVVBREQF-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260287892 807696325 /nfs/dbraw/zinc/69/63/25/807696325.db2.gz QHBQRDOKZRBTRD-SSDOTTSWSA-N -1 1 297.754 3.085 20 0 CGADMM CCC(C)(C)[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260277637 807696366 /nfs/dbraw/zinc/69/63/66/807696366.db2.gz RWHFAXYJZIHWQW-UHFFFAOYSA-N -1 1 297.754 3.085 20 0 CGADMM COCOc1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001212898323 815179696 /nfs/dbraw/zinc/17/96/96/815179696.db2.gz IREZOASPJFYQGR-UHFFFAOYSA-N -1 1 280.711 3.167 20 0 CGADMM COc1ccc(Nc2c([O-])cc(F)cc2F)cc1OC ZINC001173886397 808741921 /nfs/dbraw/zinc/74/19/21/808741921.db2.gz QAEOKSBCKMAIMY-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM Cc1c(Cl)cc(Nc2ccc(=O)n(C)c2)c([O-])c1Cl ZINC001174359788 808974840 /nfs/dbraw/zinc/97/48/40/808974840.db2.gz QSZKWWQUFMKZEF-UHFFFAOYSA-N -1 1 299.157 3.450 20 0 CGADMM CSc1nc(Nc2ccc3occc3c2)cc(=O)[n-]1 ZINC001174419050 809011197 /nfs/dbraw/zinc/01/11/97/809011197.db2.gz DDDJDTVWZXOAQJ-UHFFFAOYSA-N -1 1 273.317 3.394 20 0 CGADMM [O-]c1cc(Nc2cnc3nccnc3c2)c(F)cc1Cl ZINC001213223637 815256207 /nfs/dbraw/zinc/25/62/07/815256207.db2.gz XZKJFNWIEIXVQX-UHFFFAOYSA-N -1 1 290.685 3.267 20 0 CGADMM COc1ccc(Nc2ccnc(Cl)c2[O-])c(F)c1F ZINC001175020313 809242287 /nfs/dbraw/zinc/24/22/87/809242287.db2.gz VNDABNLHWFQQAM-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CCCN(CC1CCCCC1)C(=O)c1ccc([O-])cn1 ZINC001291972372 809425244 /nfs/dbraw/zinc/42/52/44/809425244.db2.gz CRLQSMSPEFJHJJ-UHFFFAOYSA-N -1 1 276.380 3.220 20 0 CGADMM O=C(Nc1cccc2[nH]ccc21)c1cccc([O-])c1F ZINC001292668738 809435824 /nfs/dbraw/zinc/43/58/24/809435824.db2.gz QOZRFZWZHRWJBB-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(F)c([O-])c2)[C@H](C)C1 ZINC001293495337 809449545 /nfs/dbraw/zinc/44/95/45/809449545.db2.gz DBNOBNDBVCZAAT-BREBYQMCSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc([O-])c1F ZINC001293874006 809455994 /nfs/dbraw/zinc/45/59/94/809455994.db2.gz JSHSWHMMGKWSRP-NTZNESFSSA-N -1 1 277.339 3.325 20 0 CGADMM Cn1cc2c(cccc2Nc2ccc(F)c(F)c2[O-])n1 ZINC001175595900 809468905 /nfs/dbraw/zinc/46/89/05/809468905.db2.gz HLOXDRYQUCHOTM-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM CCNC(=O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001175632083 809480839 /nfs/dbraw/zinc/48/08/39/809480839.db2.gz AHJMSHQBHXOLJU-UHFFFAOYSA-N -1 1 292.285 3.164 20 0 CGADMM CCc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001297820012 809523764 /nfs/dbraw/zinc/52/37/64/809523764.db2.gz LJPMJVNDOHJXHW-UHFFFAOYSA-N -1 1 277.270 3.485 20 0 CGADMM CCOc1ccc(Nc2c([O-])cc(F)cc2F)cn1 ZINC001175739637 809525489 /nfs/dbraw/zinc/52/54/89/809525489.db2.gz KMZGRNQPJRRRMW-UHFFFAOYSA-N -1 1 266.247 3.208 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NCC2CCCCCC2)c1 ZINC001297970430 809526030 /nfs/dbraw/zinc/52/60/30/809526030.db2.gz PSSUFZXVLBZTAJ-UHFFFAOYSA-N -1 1 289.375 3.213 20 0 CGADMM Cc1cc([C@@H](C)NC(=O)c2ccc([O-])cc2F)ccc1F ZINC001298686371 809536935 /nfs/dbraw/zinc/53/69/35/809536935.db2.gz JUMZMBFCJHYUGG-SNVBAGLBSA-N -1 1 291.297 3.470 20 0 CGADMM CC[C@H](C)CCC(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC001298720063 809537035 /nfs/dbraw/zinc/53/70/35/809537035.db2.gz DWYOMYIURYQZSO-JTQLQIEISA-N -1 1 276.336 3.217 20 0 CGADMM C=COc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC001299158193 809545331 /nfs/dbraw/zinc/54/53/31/809545331.db2.gz UJQMLSPQMIQTMN-UHFFFAOYSA-N -1 1 291.253 3.445 20 0 CGADMM COc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1O ZINC001176259234 809657295 /nfs/dbraw/zinc/65/72/95/809657295.db2.gz BVPUNVXFVKKIKV-UHFFFAOYSA-N -1 1 297.314 3.036 20 0 CGADMM COc1ccc(O)cc1Nc1ccc(F)c(F)c1[O-] ZINC001176581302 809722930 /nfs/dbraw/zinc/72/29/30/809722930.db2.gz GLBJFLPWIWNSIF-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM Cc1ccc2nc(N)n(-c3ccc(/C=C/C(=O)[O-])cc3)c2c1 ZINC001176591435 809725434 /nfs/dbraw/zinc/72/54/34/809725434.db2.gz IRLHOQITZGSVGC-WEVVVXLNSA-N -1 1 293.326 3.014 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccc3nccn32)c1F ZINC001176662208 809737072 /nfs/dbraw/zinc/73/70/72/809737072.db2.gz JYSXBGAAMKVLMC-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM Cc1cc(F)ncc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663743 809737904 /nfs/dbraw/zinc/73/79/04/809737904.db2.gz LIMDCFURCMYRCF-UHFFFAOYSA-N -1 1 272.201 3.396 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cnn3ccccc23)c1F ZINC001176664690 809738574 /nfs/dbraw/zinc/73/85/74/809738574.db2.gz XKGOTUUGKJURGV-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM O=C1OCc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc21 ZINC001176671753 809739450 /nfs/dbraw/zinc/73/94/50/809739450.db2.gz NQKNJRPCLFCXSB-UHFFFAOYSA-N -1 1 295.216 3.224 20 0 CGADMM Cn1ncc2c1cccc2Nc1c(F)cc(F)c([O-])c1F ZINC001176671600 809739819 /nfs/dbraw/zinc/73/98/19/809739819.db2.gz JFQMLRPZIKVBIY-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM Cc1ccc(N)c(N(C)c2c(F)cc(F)c([O-])c2F)c1 ZINC001176670294 809740274 /nfs/dbraw/zinc/74/02/74/809740274.db2.gz DEACUNVHHVXRNG-UHFFFAOYSA-N -1 1 282.265 3.468 20 0 CGADMM COc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(O)c1 ZINC001176672001 809740365 /nfs/dbraw/zinc/74/03/65/809740365.db2.gz CGSVUZWXUYMPTI-UHFFFAOYSA-N -1 1 285.221 3.267 20 0 CGADMM O=c1ccc2cc(Nc3cc(F)c([O-])cc3F)ccc2[nH]1 ZINC001213779833 815331100 /nfs/dbraw/zinc/33/11/00/815331100.db2.gz NOPUAISSAKNDDE-UHFFFAOYSA-N -1 1 288.253 3.256 20 0 CGADMM CCC[C@@](C)(NC(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001180683747 810018055 /nfs/dbraw/zinc/01/80/55/810018055.db2.gz VAUKBWVTEUOTGV-QGZVFWFLSA-N -1 1 284.359 3.233 20 0 CGADMM [O-]c1cc(Nc2cc(F)c(CO)c(F)c2)cc(F)c1F ZINC001214037405 815359732 /nfs/dbraw/zinc/35/97/32/815359732.db2.gz ZCYLSGAYSSOIRO-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM O=C(Nc1ccc(C(F)F)nc1)c1ccc([O-])c(F)c1 ZINC001186208684 810321694 /nfs/dbraw/zinc/32/16/94/810321694.db2.gz GERZETVYNWVVHM-UHFFFAOYSA-N -1 1 282.221 3.116 20 0 CGADMM Cc1nc2c(cccc2NC(=O)c2ccc([O-])c(F)c2)o1 ZINC001186225312 810322265 /nfs/dbraw/zinc/32/22/65/810322265.db2.gz AGBYITLUULMQPA-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM O=C(Nc1csc2cnccc12)c1ccc([O-])cc1F ZINC001186319454 810327773 /nfs/dbraw/zinc/32/77/73/810327773.db2.gz WGNMGCSDTUHILB-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM O=C(Nc1cccc2c(=O)[nH]ccc12)c1ccc([O-])cc1F ZINC001186329148 810329485 /nfs/dbraw/zinc/32/94/85/810329485.db2.gz MPZOSSPHGVSIJL-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cc(C)ns2)n1 ZINC001188162109 810460626 /nfs/dbraw/zinc/46/06/26/810460626.db2.gz GAUDYWUXIXNAAG-UHFFFAOYSA-N -1 1 281.406 3.192 20 0 CGADMM COc1cc(C(=O)N(C(C)C)C(C)C)cc(Cl)c1[O-] ZINC001191129321 810680962 /nfs/dbraw/zinc/68/09/62/810680962.db2.gz INNWXZRSEZTXAQ-UHFFFAOYSA-N -1 1 285.771 3.313 20 0 CGADMM O=C(Nc1c([O-])cccc1F)N[C@@H]1CCc2ccccc21 ZINC001192989918 810840745 /nfs/dbraw/zinc/84/07/45/810840745.db2.gz RLIXSTYTTPDJAP-CYBMUJFWSA-N -1 1 286.306 3.340 20 0 CGADMM CCCC[C@H](C)NC(=O)Nc1cc(Cl)ncc1[O-] ZINC001193031168 810845837 /nfs/dbraw/zinc/84/58/37/810845837.db2.gz AJUYQXRLYOTRHW-QMMMGPOBSA-N -1 1 271.748 3.141 20 0 CGADMM CCCC[C@H](C)NC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001193061069 810848436 /nfs/dbraw/zinc/84/84/36/810848436.db2.gz PIXNMTHIMOHSHV-QMMMGPOBSA-N -1 1 272.295 3.371 20 0 CGADMM COC(=O)Nc1c([O-])cc(C(F)(F)F)cc1Cl ZINC001193912715 810977586 /nfs/dbraw/zinc/97/75/86/810977586.db2.gz JKCVNIHXXRUJSR-UHFFFAOYSA-N -1 1 269.606 3.243 20 0 CGADMM Nc1ccn(-c2cc(F)c([O-])c(Cl)c2)c2nccc1-2 ZINC001214480464 815415374 /nfs/dbraw/zinc/41/53/74/815415374.db2.gz RGQOMVJFDLSVLT-UHFFFAOYSA-N -1 1 277.686 3.057 20 0 CGADMM COc1ccc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214477471 815415653 /nfs/dbraw/zinc/41/56/53/815415653.db2.gz PFNXZIFASBNNFT-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM Cc1cc2ncc(Nc3cc(F)c([O-])c(Cl)c3)cn2n1 ZINC001214483001 815416397 /nfs/dbraw/zinc/41/63/97/815416397.db2.gz YOJUWBPESTZXEH-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM O=C1Cc2ccc(Nc3cc(F)c([O-])c(Cl)c3)cc2N1 ZINC001214489410 815417360 /nfs/dbraw/zinc/41/73/60/815417360.db2.gz CFZUMVVQSYGIEH-UHFFFAOYSA-N -1 1 292.697 3.423 20 0 CGADMM COc1ccc(OC(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001194533169 811086326 /nfs/dbraw/zinc/08/63/26/811086326.db2.gz PIGMECBWWTYEOZ-UHFFFAOYSA-N -1 1 295.241 3.290 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1c(Cl)cccc1Cl ZINC001195484092 811260522 /nfs/dbraw/zinc/26/05/22/811260522.db2.gz KBKGTPJJRQGFBL-UHFFFAOYSA-N -1 1 293.175 3.436 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cccc(C2CC2)c1 ZINC001195492683 811261515 /nfs/dbraw/zinc/26/15/15/811261515.db2.gz OSJLERXCFZBABE-UHFFFAOYSA-N -1 1 264.350 3.007 20 0 CGADMM Cc1cc(CO)ccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001214661004 815438600 /nfs/dbraw/zinc/43/86/00/815438600.db2.gz FKWIZDXPMCDWMC-UHFFFAOYSA-N -1 1 297.310 3.043 20 0 CGADMM C=CS(=O)(=O)[N-]c1cc(-c2ccccc2)cs1 ZINC001198573923 811519939 /nfs/dbraw/zinc/51/99/39/811519939.db2.gz UAXAMIJPLJQAJA-UHFFFAOYSA-N -1 1 265.359 3.300 20 0 CGADMM CCCCCNC(=S)Nc1c(F)cc([O-])cc1F ZINC001200059733 811633222 /nfs/dbraw/zinc/63/32/22/811633222.db2.gz OZOFUVVGLGJDTM-UHFFFAOYSA-N -1 1 274.336 3.147 20 0 CGADMM CC[C@H](C)CNC(=S)Nc1cc([O-])c(F)cc1F ZINC001200259315 811657373 /nfs/dbraw/zinc/65/73/73/811657373.db2.gz LFFDCWHCMQVMRX-ZETCQYMHSA-N -1 1 274.336 3.003 20 0 CGADMM [O-]c1cccc(NC(=S)NCc2ccco2)c1Cl ZINC001200567688 811712579 /nfs/dbraw/zinc/71/25/79/811712579.db2.gz KCTNAIYATIOHTA-UHFFFAOYSA-N -1 1 282.752 3.125 20 0 CGADMM O=C(Nc1ccc(F)cc1)Nc1ccc([O-])c(F)c1F ZINC001202354851 812072425 /nfs/dbraw/zinc/07/24/25/812072425.db2.gz LAZKDXCCBKWKIU-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM Cc1nnc(-c2ccc([N-]c3nnc(C(C)(C)C)o3)cc2)o1 ZINC001203087415 812236566 /nfs/dbraw/zinc/23/65/66/812236566.db2.gz XLLGZSPOTMVEHV-UHFFFAOYSA-N -1 1 299.334 3.469 20 0 CGADMM [O-]c1c(Br)ccc(Cl)c1N=C1CCOC1 ZINC001203397828 812341438 /nfs/dbraw/zinc/34/14/38/812341438.db2.gz GHDBQXUEZZRBJU-UHFFFAOYSA-N -1 1 290.544 3.134 20 0 CGADMM [O-]c1c(Br)ccc(Cl)c1NC1=CCOC1 ZINC001203397828 812341444 /nfs/dbraw/zinc/34/14/44/812341444.db2.gz GHDBQXUEZZRBJU-UHFFFAOYSA-N -1 1 290.544 3.134 20 0 CGADMM NC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1Cl ZINC001215574512 815538460 /nfs/dbraw/zinc/53/84/60/815538460.db2.gz WYSAVKMKOLIIPJ-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(C3=NCCO3)cc2)cc1F ZINC001215574408 815538827 /nfs/dbraw/zinc/53/88/27/815538827.db2.gz SHPKBSITBBGQIL-UHFFFAOYSA-N -1 1 290.269 3.191 20 0 CGADMM CCOc1ccc(Nc2ccnc(Cl)c2[O-])c(C)n1 ZINC001215578700 815541340 /nfs/dbraw/zinc/54/13/40/815541340.db2.gz SDYMHQXIHNTFQD-UHFFFAOYSA-N -1 1 279.727 3.286 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccn2ccnc2c1 ZINC001204977630 812805279 /nfs/dbraw/zinc/80/52/79/812805279.db2.gz HVXCFWNBBLKCSV-UHFFFAOYSA-N -1 1 261.231 3.062 20 0 CGADMM Cc1nc2cccc(-c3ccsc3C(=O)[O-])c2[nH]1 ZINC001205585706 813013286 /nfs/dbraw/zinc/01/32/86/813013286.db2.gz HYEWZIDOYBEOPS-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM [O-]c1ccc(-c2nccc(-c3cccnc3F)n2)c(F)c1 ZINC001206037824 813176119 /nfs/dbraw/zinc/17/61/19/813176119.db2.gz OODUBIJQWYRAEN-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM COC(=O)c1ccccc1-c1cc(F)c([O-])cc1F ZINC001206775746 813435028 /nfs/dbraw/zinc/43/50/28/813435028.db2.gz JDZCMAFVYCZDID-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM CN(C)c1ccccc1Nc1cc([O-])c(F)c(F)c1 ZINC001209992748 814234976 /nfs/dbraw/zinc/23/49/76/814234976.db2.gz WDPUFMACKPFDOB-UHFFFAOYSA-N -1 1 264.275 3.480 20 0 CGADMM CSc1ncc([N-]c2nnc(C(C)C)o2)cc1C ZINC001215826715 815606506 /nfs/dbraw/zinc/60/65/06/815606506.db2.gz SECAIPOUIFODIT-UHFFFAOYSA-N -1 1 264.354 3.362 20 0 CGADMM COC(=O)c1cc(Nc2ccc(F)c(F)c2[O-])ccc1F ZINC001215856712 815615659 /nfs/dbraw/zinc/61/56/59/815615659.db2.gz MULYUOQWGBVRNK-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cccnc1OC(F)F ZINC001210625475 814562363 /nfs/dbraw/zinc/56/23/63/814562363.db2.gz VMDYNWNMYCPGHQ-UHFFFAOYSA-N -1 1 287.653 3.181 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cc(O)ccc1F ZINC001210803779 814636524 /nfs/dbraw/zinc/63/65/24/814636524.db2.gz JAKPRFKXEFEIML-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM COC(=O)c1nc(-c2cccc([O-])c2Cl)ccc1C ZINC001242798713 823135826 /nfs/dbraw/zinc/13/58/26/823135826.db2.gz WQNNOEQKXZLLNJ-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Cc1nn(C)cc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210922768 814676340 /nfs/dbraw/zinc/67/63/40/814676340.db2.gz BAVCHCIMBBAIGM-UHFFFAOYSA-N -1 1 272.135 3.485 20 0 CGADMM CCOc1ncc(F)c(-c2cccc([O-])c2Cl)n1 ZINC001242797002 823135155 /nfs/dbraw/zinc/13/51/55/823135155.db2.gz DXODAMIHSSXVMP-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM [O-]c1cccc(-c2ncc(OCC3CC3)cn2)c1Cl ZINC001242797834 823135184 /nfs/dbraw/zinc/13/51/84/823135184.db2.gz NYCJJNBZKRQJNR-UHFFFAOYSA-N -1 1 276.723 3.291 20 0 CGADMM CCOC(=O)c1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001211204741 814846897 /nfs/dbraw/zinc/84/68/97/814846897.db2.gz NZVAOFKGECIYRQ-UHFFFAOYSA-N -1 1 292.722 3.361 20 0 CGADMM O=c1cc(-c2cccc([O-])c2Cl)ccn1-c1cccnc1 ZINC001242801998 823137997 /nfs/dbraw/zinc/13/79/97/823137997.db2.gz LKUPXHZCWDQWBM-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM COc1c(F)cccc1-c1cc(F)c([O-])cc1F ZINC001211338383 814881973 /nfs/dbraw/zinc/88/19/73/814881973.db2.gz CVLISRONOJMPJS-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3nnccc3c2)cc1F ZINC001211349820 814883528 /nfs/dbraw/zinc/88/35/28/814883528.db2.gz HODUFERLKXLAMX-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CSc1ccc(-c2cc(F)c([O-])cc2F)cn1 ZINC001211350107 814883960 /nfs/dbraw/zinc/88/39/60/814883960.db2.gz LUGQEFPNNZQIRS-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM CCOC(=O)c1ccc(-c2cc(F)c([O-])cc2F)c(C)n1 ZINC001211353010 814884244 /nfs/dbraw/zinc/88/42/44/814884244.db2.gz QKSJBVJYAAHXAM-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM Cn1ccc2ncc(-c3cc(F)c([O-])cc3F)cc21 ZINC001211352992 814884488 /nfs/dbraw/zinc/88/44/88/814884488.db2.gz QIPWKDLIEMSIFP-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM COCOc1ccccc1Nc1ccnc(Cl)c1[O-] ZINC001211558715 814907252 /nfs/dbraw/zinc/90/72/52/814907252.db2.gz KTNBXIURWBHFBY-UHFFFAOYSA-N -1 1 280.711 3.167 20 0 CGADMM [O-]c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1F ZINC001215988831 815653258 /nfs/dbraw/zinc/65/32/58/815653258.db2.gz IANKVTSLYOXYPI-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CSc1ncc(C)cc1[N-]c1nc(C)ns1 ZINC001216239924 815751965 /nfs/dbraw/zinc/75/19/65/815751965.db2.gz UYWXWUQPBLRFLC-UHFFFAOYSA-N -1 1 252.368 3.015 20 0 CGADMM CCc1cccnc1-c1noc(-c2cc([O-])cc(F)c2)n1 ZINC001216339144 815790750 /nfs/dbraw/zinc/79/07/50/815790750.db2.gz ATZYZNXSIOEIFE-UHFFFAOYSA-N -1 1 285.278 3.206 20 0 CGADMM CC(=O)c1cccc(Nc2ncc(F)cc2[O-])c1F ZINC001216499424 815843201 /nfs/dbraw/zinc/84/32/01/815843201.db2.gz ZQKNSPMPJJIGMJ-UHFFFAOYSA-N -1 1 264.231 3.012 20 0 CGADMM [O-]c1c(Cl)cc(Cl)cc1NC1=CCCOC1 ZINC001216509501 815846552 /nfs/dbraw/zinc/84/65/52/815846552.db2.gz NARFHOYAISTWOJ-UHFFFAOYSA-N -1 1 260.120 3.415 20 0 CGADMM O=c1cc(-c2cc(F)c([O-])cc2F)ccn1C1CCC1 ZINC001222083156 816343730 /nfs/dbraw/zinc/34/37/30/816343730.db2.gz QKEPUPQHAPCGFQ-UHFFFAOYSA-N -1 1 277.270 3.224 20 0 CGADMM CCCC[C@@H](OCC[P@](=O)([O-])O)C1CCCCC1 ZINC001224601975 816830655 /nfs/dbraw/zinc/83/06/55/816830655.db2.gz MTELOFGYABSBDU-CYBMUJFWSA-N -1 1 278.329 3.320 20 0 CGADMM C[C@@H](OCC[P@](=O)([O-])O)c1ccc(Cl)cc1Cl ZINC001224604667 816833265 /nfs/dbraw/zinc/83/32/65/816833265.db2.gz FKMTWTIGZZKTLC-SSDOTTSWSA-N -1 1 299.090 3.249 20 0 CGADMM CCCNc1cc(C)nc(-c2ccc(F)c([O-])c2)n1 ZINC001243051374 823227641 /nfs/dbraw/zinc/22/76/41/823227641.db2.gz RKAYQGYFBSPNMO-UHFFFAOYSA-N -1 1 261.300 3.119 20 0 CGADMM O=[P@]([O-])(O)CCCCOC1CCCCCCC1 ZINC001225019533 816934276 /nfs/dbraw/zinc/93/42/76/816934276.db2.gz YAUZEDJIYFASEH-UHFFFAOYSA-N -1 1 264.302 3.074 20 0 CGADMM COC(C)(C)C[C@@H](C)Oc1cc([O-])ccc1C(C)=O ZINC001225619122 817113910 /nfs/dbraw/zinc/11/39/10/817113910.db2.gz LSTUYLOQWKBLOG-SNVBAGLBSA-N -1 1 266.337 3.177 20 0 CGADMM CC(=O)c1ccc([O-])cc1OC[C@@H](C)Oc1ccccc1 ZINC001225619192 817114406 /nfs/dbraw/zinc/11/44/06/817114406.db2.gz NGNMCYHJUZZAFN-GFCCVEGCSA-N -1 1 286.327 3.441 20 0 CGADMM Cc1ccc([C@H](C)Oc2cc(=O)[n-]c(=S)[nH]2)c(C)c1 ZINC001225766626 817171737 /nfs/dbraw/zinc/17/17/37/817171737.db2.gz WEYTXGLQGPNYEO-JTQLQIEISA-N -1 1 276.361 3.228 20 0 CGADMM COC[C@H](C)Oc1ccc(C(=O)c2ccc([O-])cc2)cc1 ZINC001225811633 817186275 /nfs/dbraw/zinc/18/62/75/817186275.db2.gz ZOMBDRRDFFSTDX-LBPRGKRZSA-N -1 1 286.327 3.037 20 0 CGADMM CCCC[C@H](Oc1cnc[n-]c1=O)c1ccccc1 ZINC001227048970 817542972 /nfs/dbraw/zinc/54/29/72/817542972.db2.gz ODVFZBBEZIEKGB-ZDUSSCGKSA-N -1 1 258.321 3.493 20 0 CGADMM CC(C)C[C@H](Cc1ccccc1)Oc1cnc[n-]c1=O ZINC001227051734 817544378 /nfs/dbraw/zinc/54/43/78/817544378.db2.gz ODIFVFUQYIHKOZ-CQSZACIVSA-N -1 1 272.348 3.218 20 0 CGADMM CCC[C@@H](Oc1cc([O-])ccc1C(=O)COC)C(C)C ZINC001227169686 817578089 /nfs/dbraw/zinc/57/80/89/817578089.db2.gz XSOZDFTUQNKOCH-OAHLLOKOSA-N -1 1 280.364 3.425 20 0 CGADMM CC/C=C(\C)[C@@H](CC)Oc1[n-]c(=S)ncc1F ZINC001227384949 817636683 /nfs/dbraw/zinc/63/66/83/817636683.db2.gz DROUJMFPZSGKKX-QEHWCHDUSA-N -1 1 256.346 3.418 20 0 CGADMM Cc1cccc2c1CC[C@H]2Oc1[n-]c(=S)ncc1F ZINC001227384816 817636974 /nfs/dbraw/zinc/63/69/74/817636974.db2.gz GGEQPLKSQREDJX-GFCCVEGCSA-N -1 1 276.336 3.279 20 0 CGADMM Cc1ccc([C@@H](C)Oc2[n-]c(=S)ncc2F)cc1 ZINC001227384887 817637346 /nfs/dbraw/zinc/63/73/46/817637346.db2.gz CXQPVFKFCVNIBS-SECBINFHSA-N -1 1 264.325 3.353 20 0 CGADMM [O-]c1cc(Cl)c(OC2CCOCC2)cc1Cl ZINC001227642077 817687263 /nfs/dbraw/zinc/68/72/63/817687263.db2.gz VKKVPDBOORLYSB-UHFFFAOYSA-N -1 1 263.120 3.257 20 0 CGADMM S=c1nc2cnccc2c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)[n-]1 ZINC001227882728 817742323 /nfs/dbraw/zinc/74/23/23/817742323.db2.gz ZWOSRTVHJSNPKF-YGOYTEALSA-N -1 1 271.345 3.031 20 0 CGADMM CSc1nc(O[C@@H]2CCc3cccc(C)c32)cc(=O)[n-]1 ZINC001228090877 817808897 /nfs/dbraw/zinc/80/88/97/817808897.db2.gz PPALPIYGDJWMCJ-LLVKDONJSA-N -1 1 288.372 3.279 20 0 CGADMM CO[C@H](C)COc1cc([O-])ccc1C(=O)c1ccccc1 ZINC001228186937 817834583 /nfs/dbraw/zinc/83/45/83/817834583.db2.gz XAFGEQCUKOEZCS-GFCCVEGCSA-N -1 1 286.327 3.037 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)nc2ccccc21)c1ccncc1 ZINC001228760191 818001728 /nfs/dbraw/zinc/00/17/28/818001728.db2.gz KEFDIUDLCNOCIQ-SNVBAGLBSA-N -1 1 283.356 3.454 20 0 CGADMM C[C@H](Oc1cccnc1-c1ncccc1[O-])C(F)(F)F ZINC001231201083 818056720 /nfs/dbraw/zinc/05/67/20/818056720.db2.gz WRWBLOIWLAPGOB-QMMMGPOBSA-N -1 1 284.237 3.179 20 0 CGADMM C[C@]1(F)CCCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231733099 818161929 /nfs/dbraw/zinc/16/19/29/818161929.db2.gz MNYDNUCLLHPXTE-ZDUSSCGKSA-N -1 1 257.736 3.370 20 0 CGADMM CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1ccc(Cl)c([O-])c1 ZINC001231734650 818163358 /nfs/dbraw/zinc/16/33/58/818163358.db2.gz CKMGJQQBEVJXKZ-HZMBPMFUSA-N -1 1 299.798 3.065 20 0 CGADMM Cc1cc2c(cn1)CN(Cc1ccc(Cl)c([O-])c1)C2 ZINC001231736330 818164112 /nfs/dbraw/zinc/16/41/12/818164112.db2.gz HRWQDTAOWSWRGU-UHFFFAOYSA-N -1 1 274.751 3.265 20 0 CGADMM CCCCN(CC(=O)OCC)Cc1cccc([O-])c1Cl ZINC001232789049 818440871 /nfs/dbraw/zinc/44/08/71/818440871.db2.gz SRMWABCDSDWKMH-UHFFFAOYSA-N -1 1 299.798 3.211 20 0 CGADMM O=C1CCN(Cc2cc([O-])c(F)c(F)c2)[C@@H]2CCCC[C@@H]12 ZINC001232969527 818485617 /nfs/dbraw/zinc/48/56/17/818485617.db2.gz RXSZHRUCFASPPY-DGCLKSJQSA-N -1 1 295.329 3.004 20 0 CGADMM [O-]c1cc(CN2Cc3ccccc3C2)cc(F)c1F ZINC001232969281 818485754 /nfs/dbraw/zinc/48/57/54/818485754.db2.gz NNPQNMVXBQULHZ-UHFFFAOYSA-N -1 1 261.271 3.186 20 0 CGADMM CN(Cc1ccc(Cl)nc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232976082 818489543 /nfs/dbraw/zinc/48/95/43/818489543.db2.gz VLNNTHBYLGORMU-UHFFFAOYSA-N -1 1 298.720 3.351 20 0 CGADMM [O-]c1cc(CN2CC3(C2)CCCCC3)cc(F)c1F ZINC001232975488 818489962 /nfs/dbraw/zinc/48/99/62/818489962.db2.gz KWNNASARJAQTER-UHFFFAOYSA-N -1 1 267.319 3.437 20 0 CGADMM C[C@H]1c2cccn2CCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232975120 818490114 /nfs/dbraw/zinc/49/01/14/818490114.db2.gz DOWNROWLOCOKSB-JTQLQIEISA-N -1 1 278.302 3.049 20 0 CGADMM CN(Cc1ccsc1)Cc1cc(Cl)ncc1[O-] ZINC001233034601 818505038 /nfs/dbraw/zinc/50/50/38/818505038.db2.gz NDOQOQKQYREBSY-UHFFFAOYSA-N -1 1 268.769 3.134 20 0 CGADMM Cc1noc(-c2ccnc(-c3ccc([O-])c(F)c3F)c2)n1 ZINC001243338322 823352810 /nfs/dbraw/zinc/35/28/10/823352810.db2.gz CNTKKVQEFPWKCV-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1cc(N)c(F)cc1-c1ccc([O-])c(F)c1F ZINC001243340484 823354092 /nfs/dbraw/zinc/35/40/92/823354092.db2.gz BECNMWKBMCNXNG-UHFFFAOYSA-N -1 1 253.223 3.367 20 0 CGADMM [O-]c1ccc(-c2cnc(C(F)(F)F)nc2)c(F)c1F ZINC001243342759 823356929 /nfs/dbraw/zinc/35/69/29/823356929.db2.gz SOEHTAPCKZHMIV-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM Cn1c(=O)cc(-c2ccc([O-])c(F)c2F)c2ccccc21 ZINC001243344301 823360074 /nfs/dbraw/zinc/36/00/74/823360074.db2.gz DCOPKRQMUMHXMO-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM O=C([O-])c1c(Cl)ccc(-c2nccc3c2CCN3)c1F ZINC001236141717 819342450 /nfs/dbraw/zinc/34/24/50/819342450.db2.gz BIHZJPDLEYVIQZ-UHFFFAOYSA-N -1 1 292.697 3.207 20 0 CGADMM Cc1ccc(F)c(-c2cc3c(nn2)CC[C@@H](C)C3)c1[O-] ZINC001236389421 819446537 /nfs/dbraw/zinc/44/65/37/819446537.db2.gz CMEAABZOLLQXSK-SECBINFHSA-N -1 1 272.323 3.422 20 0 CGADMM CCN(CC)c1cc(-c2c(F)ccc(C)c2[O-])ncn1 ZINC001236392598 819448628 /nfs/dbraw/zinc/44/86/28/819448628.db2.gz UTGQVHKKCGAHDJ-UHFFFAOYSA-N -1 1 275.327 3.143 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccc(F)c(N)c3)ccc2[n-]1 ZINC001243454871 823409748 /nfs/dbraw/zinc/40/97/48/823409748.db2.gz AWJQGNBQYOAABE-UHFFFAOYSA-N -1 1 299.305 3.128 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccc(F)c(N)c3)cc2[n-]1 ZINC001243454871 823409749 /nfs/dbraw/zinc/40/97/49/823409749.db2.gz AWJQGNBQYOAABE-UHFFFAOYSA-N -1 1 299.305 3.128 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cccc(C2OCCO2)c1 ZINC001243502684 823421583 /nfs/dbraw/zinc/42/15/83/823421583.db2.gz NYVPADPYMQCYQD-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cccc2cncnc21 ZINC001243503137 823421702 /nfs/dbraw/zinc/42/17/02/823421702.db2.gz AVHILGZWGPOHFU-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COC(=O)c1ccccc1-c1cc(F)cc(F)c1[O-] ZINC001243502984 823421816 /nfs/dbraw/zinc/42/18/16/823421816.db2.gz CWZUBVYIOKVMRG-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cccc2c1OCCO2 ZINC001243502245 823421919 /nfs/dbraw/zinc/42/19/19/823421919.db2.gz ISAPYKRYTJHCSJ-UHFFFAOYSA-N -1 1 264.227 3.109 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cnc2cccnc2c1 ZINC001243504181 823422577 /nfs/dbraw/zinc/42/25/77/823422577.db2.gz ZNZFNJQYLPRUQB-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM O=C1Nc2c(cccc2-c2cc(F)cc(F)c2[O-])C12CC2 ZINC001243504630 823423469 /nfs/dbraw/zinc/42/34/69/823423469.db2.gz NLNCQAJFGNVVQZ-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cccc(C2COC2)c1 ZINC001243505888 823423854 /nfs/dbraw/zinc/42/38/54/823423854.db2.gz VYFKGLRLVTXUOY-UHFFFAOYSA-N -1 1 262.255 3.451 20 0 CGADMM [O-]c1c(CN2C3CCC2CC3)cc(Cl)nc1Cl ZINC001237533650 819773672 /nfs/dbraw/zinc/77/36/72/819773672.db2.gz YIMODQBAHPNRBR-UHFFFAOYSA-N -1 1 273.163 3.221 20 0 CGADMM [O-]c1cccc(-c2ncc3cc(F)ccc3n2)c1F ZINC001243542306 823436632 /nfs/dbraw/zinc/43/66/32/823436632.db2.gz NVTOJKBBVGZQDE-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1c(F)cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)cc1Cl ZINC001237989340 819902796 /nfs/dbraw/zinc/90/27/96/819902796.db2.gz KOXCYOGCVOPTRI-ATZCPNFKSA-N -1 1 273.710 3.117 20 0 CGADMM [O-]c1cc(F)c(CN2CC3CC(C3)C2)cc1Cl ZINC001238154441 819944650 /nfs/dbraw/zinc/94/46/50/819944650.db2.gz KEUPLSWKCMLYCY-UHFFFAOYSA-N -1 1 255.720 3.027 20 0 CGADMM CSc1ncc(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243578395 823452229 /nfs/dbraw/zinc/45/22/29/823452229.db2.gz OUYYGUZYCVJBPO-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM O=C1OCc2c1cccc2-c1ccc(Cl)c([O-])c1 ZINC001243580387 823453664 /nfs/dbraw/zinc/45/36/64/823453664.db2.gz BSKJEBSSAGOHCV-UHFFFAOYSA-N -1 1 260.676 3.383 20 0 CGADMM CN1Cc2c(cccc2-c2ccc(Cl)c([O-])c2)C1=O ZINC001243578795 823452901 /nfs/dbraw/zinc/45/29/01/823452901.db2.gz RYMYHYFEDFPFJD-UHFFFAOYSA-N -1 1 273.719 3.298 20 0 CGADMM Cn1ccc2c1ncnc2-c1ccc(C(F)(F)F)cc1[O-] ZINC001243608392 823465690 /nfs/dbraw/zinc/46/56/90/823465690.db2.gz ILGIIDLNZAICQZ-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM CSc1ncc2ccc(-c3cc(F)ccc3[O-])nc2n1 ZINC001240693988 821249220 /nfs/dbraw/zinc/24/92/20/821249220.db2.gz LDTKGLPPZZSCAW-UHFFFAOYSA-N -1 1 287.319 3.258 20 0 CGADMM [O-]c1ccc(F)cc1-c1ncccc1OC(F)(F)F ZINC001240693548 821249900 /nfs/dbraw/zinc/24/99/00/821249900.db2.gz UULDDSKXMOTMQV-UHFFFAOYSA-N -1 1 273.185 3.492 20 0 CGADMM CSc1ncc2c(ccnc2-c2cc(F)ccc2[O-])n1 ZINC001240694511 821250528 /nfs/dbraw/zinc/25/05/28/821250528.db2.gz WFKMLFWXRDUUIN-UHFFFAOYSA-N -1 1 287.319 3.258 20 0 CGADMM COc1cc(-c2cc3nc[nH]c3cc2C)ccc1C(=O)[O-] ZINC001240742393 821293553 /nfs/dbraw/zinc/29/35/53/821293553.db2.gz BBIHCPSUPBPAIV-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM COc1nc(-c2ccc([O-])c(F)c2)nc2ccccc21 ZINC001240781937 821321857 /nfs/dbraw/zinc/32/18/57/821321857.db2.gz LQPCSDQXCZUDPH-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM CC(C)(C)c1nc2[nH]cnc2c(-c2ccc([O-])c(F)c2)n1 ZINC001240782942 821322444 /nfs/dbraw/zinc/32/24/44/821322444.db2.gz LHEQCIYOBMHPTR-UHFFFAOYSA-N -1 1 286.310 3.114 20 0 CGADMM Cc1ccc(-c2ncc3cc(F)ccc3n2)c([O-])c1 ZINC001241035922 821512131 /nfs/dbraw/zinc/51/21/31/821512131.db2.gz JYZMCRRFEGOVFK-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM [O-]c1cc(F)c(-c2cnc3cc(F)ccc3n2)c(F)c1 ZINC001241117401 821571816 /nfs/dbraw/zinc/57/18/16/821571816.db2.gz NIRBHOBRXWZHHC-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM COc1ccc2nccc(-c3c(F)cc([O-])cc3F)c2n1 ZINC001241120721 821575930 /nfs/dbraw/zinc/57/59/30/821575930.db2.gz ICVSHINIIOAYJT-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM COC(=O)CCc1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241120191 821576051 /nfs/dbraw/zinc/57/60/51/821576051.db2.gz VUPOXQNFKCFEIE-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM COc1cc(C)cnc1-c1c(F)cc([O-])cc1F ZINC001241120383 821576294 /nfs/dbraw/zinc/57/62/94/821576294.db2.gz RMNFSMFEBWFGOK-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COC(=O)c1cccc(-c2c(F)cc([O-])cc2F)c1OC ZINC001241120979 821576969 /nfs/dbraw/zinc/57/69/69/821576969.db2.gz WAYPHZBGFLHKLJ-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM CCOc1ccc(-c2c(F)cc([O-])cc2F)c(C)n1 ZINC001241120879 821577692 /nfs/dbraw/zinc/57/76/92/821577692.db2.gz PVSAAQUJEHIBLH-UHFFFAOYSA-N -1 1 265.259 3.440 20 0 CGADMM COc1ncc2cc[nH]c2c1-c1c(F)cc([O-])cc1F ZINC001241123061 821580174 /nfs/dbraw/zinc/58/01/74/821580174.db2.gz SNXUZKNOHMLMMD-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM COc1nc(OC)c(-c2c(F)cc([O-])cc2F)cc1C ZINC001241125460 821581351 /nfs/dbraw/zinc/58/13/51/821581351.db2.gz XXOSLTXZVGTLTF-UHFFFAOYSA-N -1 1 281.258 3.058 20 0 CGADMM COc1nc(-c2cc([O-])cc(F)c2)nc2ccccc21 ZINC001241255812 821675799 /nfs/dbraw/zinc/67/57/99/821675799.db2.gz FFKCLSNRROZXBS-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM CC(C)COc1cncc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290494 821706471 /nfs/dbraw/zinc/70/64/71/821706471.db2.gz TUWOWZAPSFHFLU-UHFFFAOYSA-N -1 1 280.274 3.162 20 0 CGADMM CC[C@H](C)Oc1nccnc1-c1c(F)ccc([O-])c1F ZINC001241289979 821706506 /nfs/dbraw/zinc/70/65/06/821706506.db2.gz HXOSNOKPPSIQLC-QMMMGPOBSA-N -1 1 280.274 3.305 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc3cnccc32)c1F ZINC001241289225 821706763 /nfs/dbraw/zinc/70/67/63/821706763.db2.gz NOBLVYPCHAUHFT-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1cnc(-c2c(F)ccc([O-])c2F)c(C)c1 ZINC001241291436 821707622 /nfs/dbraw/zinc/70/76/22/821707622.db2.gz KWFCENBDYZQJEP-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM [O-]c1ccc(F)c(-c2ccnc(-c3cncs3)n2)c1F ZINC001241290758 821707792 /nfs/dbraw/zinc/70/77/92/821707792.db2.gz FVDHDNCRCHCVBH-UHFFFAOYSA-N -1 1 291.282 3.251 20 0 CGADMM Cc1c2[nH]cnc2ccc1-c1cccc(C(=O)[O-])c1 ZINC001241358923 821760009 /nfs/dbraw/zinc/76/00/09/821760009.db2.gz AICBBJVWFMZXIG-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM Cc1cc2[nH]ccc2c(-c2cc(F)cc(C(=O)[O-])c2)n1 ZINC001241817164 822159932 /nfs/dbraw/zinc/15/99/32/822159932.db2.gz PNNPYSOBOJOXQD-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM CCc1cc(-c2cc(C(F)(F)F)ccc2[O-])ncn1 ZINC001242134251 822889493 /nfs/dbraw/zinc/88/94/93/822889493.db2.gz VHZFTMFHVJDLKR-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM [O-]c1ccc(-c2ncnc3cnccc32)cc1C(F)(F)F ZINC001242151572 822895851 /nfs/dbraw/zinc/89/58/51/822895851.db2.gz PVIOFGSQRSPZAB-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM Nc1cncc(F)c1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242157018 822898441 /nfs/dbraw/zinc/89/84/41/822898441.db2.gz CZBPFDKJXQEVKV-UHFFFAOYSA-N -1 1 272.201 3.194 20 0 CGADMM Cc1c(F)cc(C(=O)[O-])cc1-c1cccn2cncc12 ZINC001242211531 822911726 /nfs/dbraw/zinc/91/17/26/822911726.db2.gz HQLDZLDBFKKRRZ-UHFFFAOYSA-N -1 1 270.263 3.147 20 0 CGADMM COc1ccc2cnc(-c3cccc(C)c3[O-])nc2c1 ZINC001242344001 822957479 /nfs/dbraw/zinc/95/74/79/822957479.db2.gz LVXSSLWOPVZKID-UHFFFAOYSA-N -1 1 266.300 3.319 20 0 CGADMM [O-]c1c(Cl)cccc1-c1cnc2c(c1)CCCN2 ZINC001242367391 822969827 /nfs/dbraw/zinc/96/98/27/822969827.db2.gz KBTCMFUPLARJGV-UHFFFAOYSA-N -1 1 260.724 3.108 20 0 CGADMM O=C1CSc2ncc(-c3cccc(Cl)c3[O-])cc2N1 ZINC001242366765 822969847 /nfs/dbraw/zinc/96/98/47/822969847.db2.gz DRWFAOKZSLMBNG-UHFFFAOYSA-N -1 1 292.747 3.152 20 0 CGADMM CON(C)C(=O)c1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242368019 822970263 /nfs/dbraw/zinc/97/02/63/822970263.db2.gz VOTIAJQWAQJQBM-UHFFFAOYSA-N -1 1 291.734 3.346 20 0 CGADMM O=C([O-])c1cccc(-c2ccc3[nH]cnc3c2)c1F ZINC001242380120 822975004 /nfs/dbraw/zinc/97/50/04/822975004.db2.gz ATGMBOUPWRMMLE-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM O=C(/C=C/c1nccs1)Nc1ccc([O-])c(Cl)c1 ZINC001351549400 937019218 /nfs/dbraw/zinc/01/92/18/937019218.db2.gz IHAPWKHEMXLCRR-ONEGZZNKSA-N -1 1 280.736 3.154 20 0 CGADMM Cc1nc(SC[C@H]2C[C@@H](C)O[C@@H](C)C2)[n-]c(=O)c1C ZINC001473011430 937153827 /nfs/dbraw/zinc/15/38/27/937153827.db2.gz QDVXPKRSDKLJFC-GDGBQDQQSA-N -1 1 282.409 3.095 20 0 CGADMM CCCCC[C@@H](CCC)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282141 928068668 /nfs/dbraw/zinc/06/86/68/928068668.db2.gz PPONMGHFXCQSQZ-LLVKDONJSA-N -1 1 268.357 3.324 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC[C@@H](C2CC2)C1 ZINC001446270810 937362787 /nfs/dbraw/zinc/36/27/87/937362787.db2.gz AUKUECCKXVICIY-LLVKDONJSA-N -1 1 299.292 3.283 20 0 CGADMM Cc1ccoc1CN(C)C(=O)c1ncc2ccccc2c1[O-] ZINC001450210562 937384257 /nfs/dbraw/zinc/38/42/57/937384257.db2.gz LKMJQQBYHZERDN-UHFFFAOYSA-N -1 1 296.326 3.114 20 0 CGADMM Cc1nc2c(cccc2NC(=O)c2cccc([O-])c2F)o1 ZINC001449466247 937379665 /nfs/dbraw/zinc/37/96/65/937379665.db2.gz MASOLNWXGHLLMB-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM CC(C)(CC(=O)Nc1cc(F)cc(F)c1[O-])C1CC1 ZINC001451761050 937392031 /nfs/dbraw/zinc/39/20/31/937392031.db2.gz YSFSXPNMLFLKKD-UHFFFAOYSA-N -1 1 269.291 3.435 20 0 CGADMM O=C(Nc1cccc(C2CCCCC2)c1)c1cnncc1[O-] ZINC001454126014 937406786 /nfs/dbraw/zinc/40/67/86/937406786.db2.gz SLZZTADSJSCSDY-UHFFFAOYSA-N -1 1 297.358 3.482 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1C1CCCC1)c1c([O-])cccc1F ZINC001457313792 937440808 /nfs/dbraw/zinc/44/08/08/937440808.db2.gz VSUABAVLWUPUBF-RYUDHWBXSA-N -1 1 277.339 3.087 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccsc1Cl ZINC001457714095 937444616 /nfs/dbraw/zinc/44/46/16/937444616.db2.gz FLCQUELAQIKDNZ-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM C[C@H](Oc1cc([O-])cc2oc(=O)ccc12)c1ccncc1 ZINC001229129338 932101406 /nfs/dbraw/zinc/10/14/06/932101406.db2.gz NDVYOLWIVVLTSG-JTQLQIEISA-N -1 1 283.283 3.034 20 0 CGADMM O=c1ccc2c(O[C@@H]3CCCC[C@@H]3F)cc([O-])cc2o1 ZINC001229135978 932102728 /nfs/dbraw/zinc/10/27/28/932102728.db2.gz SUERIVQVFMVIIJ-NWDGAFQWSA-N -1 1 278.279 3.158 20 0 CGADMM C[C@H]1CCC[C@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229136723 932103401 /nfs/dbraw/zinc/10/34/01/932103401.db2.gz ZARAPDAPMDTRNH-JQWIXIFHSA-N -1 1 274.316 3.456 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccc(O)cc1OC1CCC1 ZINC001229293824 932128083 /nfs/dbraw/zinc/12/80/83/932128083.db2.gz JAIVYSIEAIGLEN-UHFFFAOYSA-N -1 1 284.311 3.260 20 0 CGADMM [O-]c1cc(O[C@@H]2CCOC[C@H]2F)c(Cl)cc1Cl ZINC001229406442 932146057 /nfs/dbraw/zinc/14/60/57/932146057.db2.gz VIJWZLGNPNDYBQ-PSASIEDQSA-N -1 1 281.110 3.205 20 0 CGADMM CO[C@H](C)COc1cc([O-])c(Cl)cc1Cl ZINC001229412124 932147147 /nfs/dbraw/zinc/14/71/47/932147147.db2.gz ZBMUWBIBWANQSR-ZCFIWIBFSA-N -1 1 251.109 3.113 20 0 CGADMM COC(=O)[C@H]1C[C@H](Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229411870 932147877 /nfs/dbraw/zinc/14/78/77/932147877.db2.gz VXNFTZPUPHSSSI-LJGSYFOKSA-N -1 1 291.130 3.029 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)c1cn(C)nc1C ZINC001229475535 932158751 /nfs/dbraw/zinc/15/87/51/932158751.db2.gz YMBRTFVFYYNKGA-NSHDSACASA-N -1 1 288.347 3.167 20 0 CGADMM CC/C=C(\C)[C@@H](CC)Oc1nc(C)[n-]c(=O)c1OC ZINC001230025523 932524241 /nfs/dbraw/zinc/52/42/41/932524241.db2.gz JQVVPHSOXZIOOD-ANYFNZRUSA-N -1 1 266.341 3.013 20 0 CGADMM CCCC/C=C/[C@@H](C)Oc1nc(C)[n-]c(=O)c1OC ZINC001230027415 932525600 /nfs/dbraw/zinc/52/56/00/932525600.db2.gz XBUMULDBCGJIJP-AAXQSMANSA-N -1 1 266.341 3.013 20 0 CGADMM CC(C)(C)O[N-]C(=O)N=c1s[nH]c2ccccc21 ZINC001333454667 932758264 /nfs/dbraw/zinc/75/82/64/932758264.db2.gz JGENFOIHQVHKST-UHFFFAOYSA-N -1 1 265.338 3.148 20 0 CGADMM Cc1cnc(C(=O)N[C@H](c2ccccc2)C(C)C)c([O-])c1 ZINC001463884302 937682691 /nfs/dbraw/zinc/68/26/91/937682691.db2.gz GZQNZVSWJURMFU-HNNXBMFYSA-N -1 1 284.359 3.223 20 0 CGADMM CCc1cccc2c1N(C(=O)c1ccc([O-])cc1F)CC2 ZINC001464339892 937689179 /nfs/dbraw/zinc/68/91/79/937689179.db2.gz FBLHWHODCXWDFD-UHFFFAOYSA-N -1 1 285.318 3.297 20 0 CGADMM CCCCOc1ccccc1NC(=O)c1ccc([O-])cn1 ZINC001464410771 937690171 /nfs/dbraw/zinc/69/01/71/937690171.db2.gz XAAMALWTPFZMDV-UHFFFAOYSA-N -1 1 286.331 3.218 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cnc(C)s2)c1 ZINC001466280393 937707622 /nfs/dbraw/zinc/70/76/22/937707622.db2.gz XNDNKPKAQXEWSC-UHFFFAOYSA-N -1 1 280.374 3.131 20 0 CGADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(F)c([O-])c1 ZINC001467907947 937723030 /nfs/dbraw/zinc/72/30/30/937723030.db2.gz MWUCDKYGUGGJOW-NXEZZACHSA-N -1 1 265.328 3.086 20 0 CGADMM CC[C@H](NC(=O)c1ccc(F)c([O-])c1)[C@H]1CC1(C)C ZINC001469142232 937735431 /nfs/dbraw/zinc/73/54/31/937735431.db2.gz KHHWYXUSKGJJLA-PWSUYJOCSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)C1=CCCC1 ZINC001320676296 934085379 /nfs/dbraw/zinc/08/53/79/934085379.db2.gz XJKXDXYVURSGBX-UHFFFAOYSA-N -1 1 282.137 3.204 20 0 CGADMM CSc1ccncc1[N-]C(=O)c1ncc(Cl)s1 ZINC001321052320 934145742 /nfs/dbraw/zinc/14/57/42/934145742.db2.gz AWKCDZCCMHUBSR-UHFFFAOYSA-N -1 1 285.781 3.166 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cc(C)cc(O)c2)c1 ZINC001470882741 937758888 /nfs/dbraw/zinc/75/88/88/937758888.db2.gz RVBNSYAWEQZAIJ-UHFFFAOYSA-N -1 1 289.356 3.380 20 0 CGADMM CC(C)c1scnc1C(=O)Nc1cccc(F)c1[O-] ZINC001471169267 937761957 /nfs/dbraw/zinc/76/19/57/937761957.db2.gz USMSPLDXSAXEGF-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM C[C@@H](C(=O)NCc1ccc([O-])c(Cl)c1)c1ccco1 ZINC001471700102 937768485 /nfs/dbraw/zinc/76/84/85/937768485.db2.gz HGJSCYGYOSIGIT-SECBINFHSA-N -1 1 279.723 3.059 20 0 CGADMM Cc1ccnc(NC(=O)c2ccc(F)c([O-])c2)c1C1CC1 ZINC001471886621 937770247 /nfs/dbraw/zinc/77/02/47/937770247.db2.gz FGAKONMDNUUFGT-UHFFFAOYSA-N -1 1 286.306 3.364 20 0 CGADMM CCc1ccc2c(c1)CCN(C(=O)c1ccc([O-])c(F)c1)C2 ZINC001472416013 937776049 /nfs/dbraw/zinc/77/60/49/937776049.db2.gz BPBPIEMPZCNYDV-UHFFFAOYSA-N -1 1 299.345 3.292 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(C(F)F)o1 ZINC001472545817 937777218 /nfs/dbraw/zinc/77/72/18/937777218.db2.gz HDKLIZAQVZXJPS-UHFFFAOYSA-N -1 1 288.637 3.224 20 0 CGADMM O=C(Nc1cc(F)ccn1)c1ccc2ccc(O)cc2c1[O-] ZINC001472596906 937777991 /nfs/dbraw/zinc/77/79/91/937777991.db2.gz UTISKKMOLPPAGC-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM CC(F)(F)C1(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC001330305154 935283956 /nfs/dbraw/zinc/28/39/56/935283956.db2.gz GRBRQDHFRRJJBB-UHFFFAOYSA-N -1 1 289.709 3.097 20 0 CGADMM O=C(N[C@@H]1CCCC[C@@H]1F)c1c([O-])cccc1Cl ZINC001330618198 935303118 /nfs/dbraw/zinc/30/31/18/935303118.db2.gz ZKNDSXIQNMLLSP-VHSXEESVSA-N -1 1 271.719 3.056 20 0 CGADMM CCC[C@H](C)C[C@H](NCc1ccc(OCC)o1)C(=O)[O-] ZINC001335183334 936132516 /nfs/dbraw/zinc/13/25/16/936132516.db2.gz AESYPEAKIOLOOP-AAEUAGOBSA-N -1 1 283.368 3.047 20 0 CGADMM COc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1Cl ZINC001538930859 938121656 /nfs/dbraw/zinc/12/16/56/938121656.db2.gz LBVNDSUNRBDJBB-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CCc1ccc(CN(C)C(=O)c2cccc([O-])c2F)cc1 ZINC001540257189 938129323 /nfs/dbraw/zinc/12/93/23/938129323.db2.gz NKNNUTGMUBXUJC-UHFFFAOYSA-N -1 1 287.334 3.366 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1F)c1ccc([O-])c(F)c1 ZINC001542190674 938135263 /nfs/dbraw/zinc/13/52/63/938135263.db2.gz RTYXTMVXRFVTHA-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM C[C@H](CN(C)C(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC001542815584 938136960 /nfs/dbraw/zinc/13/69/60/938136960.db2.gz RFSLSHJLXQORKG-GFCCVEGCSA-N -1 1 287.334 3.407 20 0 CGADMM CC(C)CC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001543601575 938140584 /nfs/dbraw/zinc/14/05/84/938140584.db2.gz BLOVDKBDEXWVBJ-ZDUSSCGKSA-N -1 1 278.396 3.368 20 0 CGADMM CC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)c1ccccc1 ZINC001544349314 938144828 /nfs/dbraw/zinc/14/48/28/938144828.db2.gz WPRRQUHMXIAKDS-OAHLLOKOSA-N -1 1 298.386 3.273 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1C[C@H](C2CC2)C[C@H]1C1CC1 ZINC001551054084 938175378 /nfs/dbraw/zinc/17/53/78/938175378.db2.gz AITDVRRRHBEJNV-HIFRSBDPSA-N -1 1 289.350 3.182 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CCCCC2(CCC2)C1 ZINC001551632669 938183223 /nfs/dbraw/zinc/18/32/23/938183223.db2.gz SCLPXNHIYIFBCM-UHFFFAOYSA-N -1 1 295.329 3.467 20 0 CGADMM C[C@@H](C(=O)[N-]OCc1ccccn1)c1cccc(Cl)c1 ZINC001556953070 938206869 /nfs/dbraw/zinc/20/68/69/938206869.db2.gz NBVNXHZTMJPZPF-LLVKDONJSA-N -1 1 290.750 3.087 20 0 CGADMM CC1(C)CC(CNC(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC001557410672 938209862 /nfs/dbraw/zinc/20/98/62/938209862.db2.gz CQJLEHSOZPQFHU-UHFFFAOYSA-N -1 1 290.407 3.370 20 0 CGADMM Cc1nc(SC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[n-]c(=O)c1C ZINC001559392831 938226105 /nfs/dbraw/zinc/22/61/05/938226105.db2.gz FXSHEELMDAONSL-ILWJIGKKSA-N -1 1 286.347 3.182 20 0 CGADMM C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001563484001 938303469 /nfs/dbraw/zinc/30/34/69/938303469.db2.gz KYGUPFICIFDSJU-GWCFXTLKSA-N -1 1 296.798 3.424 20 0 CGADMM Cc1cc(CN2CCC[C@@H](CCC(=O)[O-])C2)cc(Cl)n1 ZINC001600195277 970776111 /nfs/dbraw/zinc/77/61/11/970776111.db2.gz MFNNGRUNJSQUFH-LBPRGKRZSA-N -1 1 296.798 3.120 20 0 CGADMM CC1(C(=O)[O-])CCN(Cc2cccc(F)c2Cl)CC1 ZINC000166459932 949447009 /nfs/dbraw/zinc/44/70/09/949447009.db2.gz MYXNWFNXVZUMJS-UHFFFAOYSA-N -1 1 285.746 3.166 20 0 CGADMM CC[C@@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)CCCO1 ZINC000381622246 971766566 /nfs/dbraw/zinc/76/65/66/971766566.db2.gz SKESBFZAPZXXQN-GFCCVEGCSA-N -1 1 297.782 3.039 20 0 CGADMM Cc1cc(NCc2[nH]nc3ccccc32)ccc1C(=O)[O-] ZINC001594325329 958163049 /nfs/dbraw/zinc/16/30/49/958163049.db2.gz PVAPCMYRRIMPDL-UHFFFAOYSA-N -1 1 281.315 3.182 20 0 CGADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2F)C1 ZINC001565660366 960796635 /nfs/dbraw/zinc/79/66/35/960796635.db2.gz VDMDFHWEZWURLR-NWDGAFQWSA-N -1 1 279.355 3.476 20 0 CGADMM C[C@H]1CN(C(=O)c2cccc([O-])c2F)[C@H]1c1ccccc1 ZINC001566098816 960882708 /nfs/dbraw/zinc/88/27/08/960882708.db2.gz AZBIFAGBEYHUTH-MEDUHNTESA-N -1 1 285.318 3.365 20 0 CGADMM CCCC1CCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001566175299 960900867 /nfs/dbraw/zinc/90/08/67/960900867.db2.gz GCAOTHHIDMWCCJ-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM O=C(Nc1cc(F)cc(Cl)c1)C(=O)c1ccc([O-])cc1 ZINC001566394773 960933241 /nfs/dbraw/zinc/93/32/41/960933241.db2.gz XZBCHJFRTSQEDB-UHFFFAOYSA-N -1 1 293.681 3.006 20 0 CGADMM Cc1ccccc1[C@@H](C)C(=O)[N-]OC1CCCCC1 ZINC001567889428 961451425 /nfs/dbraw/zinc/45/14/25/961451425.db2.gz BWJZFCXMWAEASE-CYBMUJFWSA-N -1 1 261.365 3.479 20 0 CGADMM O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1ncccc1[O-] ZINC001569641434 961812703 /nfs/dbraw/zinc/81/27/03/961812703.db2.gz UZKYYXAGQRLSOD-LSDHHAIUSA-N -1 1 296.370 3.101 20 0 CGADMM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001570159020 961918518 /nfs/dbraw/zinc/91/85/18/961918518.db2.gz PHNGHDORMSODHH-CXAGYDPISA-N -1 1 284.359 3.105 20 0 CGADMM Cc1c(F)c(F)ccc1NC(=O)c1ccc([O-])cc1F ZINC001570283259 961939086 /nfs/dbraw/zinc/93/90/86/961939086.db2.gz IABWNFULCQGFRN-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM C[C@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccccc1 ZINC001585537962 963018896 /nfs/dbraw/zinc/01/88/96/963018896.db2.gz MPIRTMQRHIYYKE-LBPRGKRZSA-N -1 1 292.338 3.431 20 0 CGADMM Cc1cccc2c1CCN2C(=O)c1cccc([O-])c1F ZINC001587854248 963228504 /nfs/dbraw/zinc/22/85/04/963228504.db2.gz ORUCFTLIXDXVSY-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM C/C(=C\CN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1)C(=O)[O-] ZINC001588959007 963330800 /nfs/dbraw/zinc/33/08/00/963330800.db2.gz DHVSHDTUKREILK-CUXKMMBLSA-N -1 1 299.374 3.039 20 0 CGADMM C[C@H](N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccco1 ZINC001589123528 963346040 /nfs/dbraw/zinc/34/60/40/963346040.db2.gz LIXXCQWUWIIKTQ-BPNCWPANSA-N -1 1 271.316 3.243 20 0 CGADMM C[C@H](CN(Cc1ccsc1Cl)C1CC1)C(=O)[O-] ZINC001592609614 978555989 /nfs/dbraw/zinc/55/59/89/978555989.db2.gz FPXAXUJNWYKOPF-MRVPVSSYSA-N -1 1 273.785 3.087 20 0 CGADMM Cc1[nH]c(CN2CCC[C@H]2c2cccs2)cc1C(=O)[O-] ZINC001599962201 985805446 /nfs/dbraw/zinc/80/54/46/985805446.db2.gz DJANBQVFMXGLEO-ZDUSSCGKSA-N -1 1 290.388 3.420 20 0 CGADMM C[C@@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])cc1F ZINC001594623228 986672519 /nfs/dbraw/zinc/67/25/19/986672519.db2.gz VOPVESOEQDQTBG-GFCCVEGCSA-N -1 1 299.345 3.471 20 0 CGADMM CC(C)C[C@H]1CCC[N@@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC001591207761 992044739 /nfs/dbraw/zinc/04/47/39/992044739.db2.gz ZBPBXVCMDFMDLU-LLVKDONJSA-N -1 1 282.409 3.099 20 0 CGADMM CC(C)C[C@H]1CCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC001591207761 992044751 /nfs/dbraw/zinc/04/47/51/992044751.db2.gz ZBPBXVCMDFMDLU-LLVKDONJSA-N -1 1 282.409 3.099 20 0 CGADMM CN(Cc1c(F)cccc1Cl)C(C)(C)CC(=O)[O-] ZINC001598506123 992504848 /nfs/dbraw/zinc/50/48/48/992504848.db2.gz VCQCHFVXBCITMW-UHFFFAOYSA-N -1 1 273.735 3.164 20 0 CGADMM CN(Cc1ccoc1)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001598532409 992798501 /nfs/dbraw/zinc/79/85/01/992798501.db2.gz NQCHTYSZELOUBQ-UHFFFAOYSA-N -1 1 296.326 3.158 20 0 CGADMM CN(Cc1nccc(Cl)c1Cl)C(C)(C)CC(=O)[O-] ZINC001598538402 992868527 /nfs/dbraw/zinc/86/85/27/992868527.db2.gz CXPSTEXDYPKZBD-UHFFFAOYSA-N -1 1 291.178 3.074 20 0 CGADMM C[C@H](N[C@@H](C)c1cc(C(=O)[O-])cs1)c1ccns1 ZINC001593204210 994198074 /nfs/dbraw/zinc/19/80/74/994198074.db2.gz ODBIMLBHDAQXIL-YUMQZZPRSA-N -1 1 282.390 3.315 20 0 CGADMM CC[C@@H](CSC)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000124346060 187134033 /nfs/dbraw/zinc/13/40/33/187134033.db2.gz YXVDGBLJQDXUAY-JTQLQIEISA-N -1 1 287.812 3.259 20 0 CGADMM CN(C[C@H]1CC1(C)C)C(=O)c1ncc2ccccc2c1[O-] ZINC000621045930 349451076 /nfs/dbraw/zinc/45/10/76/349451076.db2.gz VXWVJMPENNVWPZ-GFCCVEGCSA-N -1 1 284.359 3.059 20 0 CGADMM CCCC1(CN=c2nc([C@@H](C)OC)[n-]s2)CCC1 ZINC000337786009 214260805 /nfs/dbraw/zinc/26/08/05/214260805.db2.gz BJKVCPOYEAZHCA-SNVBAGLBSA-N -1 1 269.414 3.050 20 0 CGADMM CCc1cc(NC(=O)c2ccc(O)cc2[O-])ccc1F ZINC000436846995 529552068 /nfs/dbraw/zinc/55/20/68/529552068.db2.gz IYRJDQNOMGBUAZ-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM CCc1nc(CNCc2ccc(C)cc2C)ccc1C(=O)[O-] ZINC000426639174 529740218 /nfs/dbraw/zinc/74/02/18/529740218.db2.gz UVIDNCVYNHOPNM-UHFFFAOYSA-N -1 1 298.386 3.249 20 0 CGADMM CSCC1(Cc2nc(-c3ccc([O-])c(F)c3)no2)CC1 ZINC000593297837 347060214 /nfs/dbraw/zinc/06/02/14/347060214.db2.gz PSMNHDCSBOLDLU-UHFFFAOYSA-N -1 1 294.351 3.267 20 0 CGADMM C[C@@H]([N-]C(=O)C(F)(F)F)c1cccc(N2CCCC2)c1 ZINC000127352602 187298132 /nfs/dbraw/zinc/29/81/32/187298132.db2.gz OODGVAZCIPNWGD-SNVBAGLBSA-N -1 1 286.297 3.026 20 0 CGADMM COc1ccc2nc(-c3ccc(Cl)s3)[n-]c(=O)c2c1 ZINC000069579303 345381864 /nfs/dbraw/zinc/38/18/64/345381864.db2.gz RMPCPXKFSJUJOD-UHFFFAOYSA-N -1 1 292.747 3.314 20 0 CGADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1ccc(Cl)cc1Cl ZINC000092926701 345863638 /nfs/dbraw/zinc/86/36/38/345863638.db2.gz JMLWJTUHUHBVFE-KCJUWKMLSA-N -1 1 288.174 3.288 20 0 CGADMM c1nn(-c2ccccc2)cc1[N-]c1nc(C2CC2)ns1 ZINC000092623332 345848504 /nfs/dbraw/zinc/84/85/04/345848504.db2.gz AFFYULIVLYTDMN-UHFFFAOYSA-N -1 1 283.360 3.345 20 0 CGADMM CCc1nsc([N-]c2cnn(-c3ccccc3F)c2)n1 ZINC000092676971 345851657 /nfs/dbraw/zinc/85/16/57/345851657.db2.gz FHUVRKQMRPLUBC-UHFFFAOYSA-N -1 1 289.339 3.169 20 0 CGADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1cccc(Cl)c1Cl ZINC000092943480 345864406 /nfs/dbraw/zinc/86/44/06/345864406.db2.gz XPYKVKCQWVHQHW-SCZZXKLOSA-N -1 1 288.174 3.288 20 0 CGADMM CC(C)c1cc(CNC(=O)c2cc(Cl)ccc2[O-])on1 ZINC000114308368 345963849 /nfs/dbraw/zinc/96/38/49/345963849.db2.gz LZLJOYAIYMFWSC-UHFFFAOYSA-N -1 1 294.738 3.087 20 0 CGADMM CC(C)Cc1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000115662197 345972589 /nfs/dbraw/zinc/97/25/89/345972589.db2.gz NAIJXDWIEXOOAB-XYOKQWHBSA-N -1 1 261.346 3.209 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN1CCc2ccccc2C1 ZINC000122737032 346006083 /nfs/dbraw/zinc/00/60/83/346006083.db2.gz WPHLQGJGXGVEJC-UHFFFAOYSA-N -1 1 287.384 3.313 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000176092538 232330777 /nfs/dbraw/zinc/33/07/77/232330777.db2.gz FKFAAOJLTBNXOV-PHIMTYICSA-N -1 1 279.767 3.308 20 0 CGADMM CCOc1ncccc1CNCc1cccc([O-])c1Cl ZINC000339181086 215001016 /nfs/dbraw/zinc/00/10/16/215001016.db2.gz MIIJBGFVFOGPON-UHFFFAOYSA-N -1 1 292.766 3.129 20 0 CGADMM CCCCSCCC(=O)Nc1cccc(F)c1[O-] ZINC000600443562 347800506 /nfs/dbraw/zinc/80/05/06/347800506.db2.gz CYXGAFVHYVYSJM-UHFFFAOYSA-N -1 1 271.357 3.393 20 0 CGADMM C[C@H]1CC[C@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000611705311 348469082 /nfs/dbraw/zinc/46/90/82/348469082.db2.gz MGDFLOXJCMDUEO-RYUDHWBXSA-N -1 1 284.359 3.201 20 0 CGADMM CCCc1c(C)[n-]n(Cc2ccc(F)c(F)c2)c1=O ZINC000614186961 348657005 /nfs/dbraw/zinc/65/70/05/348657005.db2.gz MTASPJQMCBVGHD-LLVKDONJSA-N -1 1 266.291 3.099 20 0 CGADMM CC[C@H](C)N(CC)C(=O)c1ncc2ccccc2c1[O-] ZINC000616973996 348886342 /nfs/dbraw/zinc/88/63/42/348886342.db2.gz GBYNUPZNZKCFSG-NSHDSACASA-N -1 1 272.348 3.201 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000619122572 349209083 /nfs/dbraw/zinc/20/90/83/349209083.db2.gz SUJIXZLRGSMDIQ-OLZOCXBDSA-N -1 1 299.370 3.185 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N(CCC1CC1)CC1CC1 ZINC000620629901 349399696 /nfs/dbraw/zinc/39/96/96/349399696.db2.gz YDTHHOARBLFDAH-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM CC(C)c1scnc1[N-]C(=O)c1ocnc1C(F)F ZINC000627336369 350357887 /nfs/dbraw/zinc/35/78/87/350357887.db2.gz XRGPDHINAPEHOA-UHFFFAOYSA-N -1 1 287.291 3.444 20 0 CGADMM CCc1c(C)[n-]n(Cc2cccc(Br)c2)c1=O ZINC000109363151 186250394 /nfs/dbraw/zinc/25/03/94/186250394.db2.gz RPTIMAXIHNJLOK-GFCCVEGCSA-N -1 1 295.180 3.193 20 0 CGADMM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000629378878 350684829 /nfs/dbraw/zinc/68/48/29/350684829.db2.gz XQDYVYNNWWNNGN-OLZOCXBDSA-N -1 1 299.374 3.343 20 0 CGADMM O=C(C[C@H]1C=CCCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378744 350685247 /nfs/dbraw/zinc/68/52/47/350685247.db2.gz JAMWCMPRTLANQQ-ZDUSSCGKSA-N -1 1 297.358 3.263 20 0 CGADMM CCCCCN(C(=O)c1csc(=NC2CC2)[n-]1)C(C)C ZINC000630027764 350798364 /nfs/dbraw/zinc/79/83/64/350798364.db2.gz XNRLOJGQYIOLGK-UHFFFAOYSA-N -1 1 295.452 3.180 20 0 CGADMM CC[C@@H]1CCCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630394022 350832297 /nfs/dbraw/zinc/83/22/97/350832297.db2.gz PWTWOOYWTNVLEK-GFCCVEGCSA-N -1 1 281.783 3.379 20 0 CGADMM C[C@@H]1C[C@H](C)CN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000630401942 350835372 /nfs/dbraw/zinc/83/53/72/350835372.db2.gz AJKJNRAVTUONLK-PHIMTYICSA-N -1 1 281.783 3.093 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H]1C1CCC1 ZINC000630916698 350909105 /nfs/dbraw/zinc/90/91/05/350909105.db2.gz QMZQZYTYVUYGPD-CQSZACIVSA-N -1 1 293.794 3.379 20 0 CGADMM Cc1nc(SC[C@@H]2CC[C@H](C)O2)[n-]c(=O)c1C1CC1 ZINC000631022863 350926665 /nfs/dbraw/zinc/92/66/65/350926665.db2.gz BLWKGNFQVUBAGW-KWQFWETISA-N -1 1 280.393 3.028 20 0 CGADMM Cc1nc(SC[C@@H]2CCC[C@H](O)C2)[n-]c(=O)c1C1CC1 ZINC000631023441 350927037 /nfs/dbraw/zinc/92/70/37/350927037.db2.gz REKGVBRYVAHZLC-PWSUYJOCSA-N -1 1 294.420 3.011 20 0 CGADMM CC(=O)[C@H](Sc1nc(C)c(C2CC2)c(=O)[n-]1)C(C)C ZINC000631023809 350927527 /nfs/dbraw/zinc/92/75/27/350927527.db2.gz XYNVFZHMBHYLRM-GFCCVEGCSA-N -1 1 280.393 3.074 20 0 CGADMM Cc1nc(S[C@@H](C)c2cnccn2)[n-]c(=O)c1C1CC1 ZINC000631024276 350927840 /nfs/dbraw/zinc/92/78/40/350927840.db2.gz RCIRUZITXVAFLI-VIFPVBQESA-N -1 1 288.376 3.011 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000630693941 350871759 /nfs/dbraw/zinc/87/17/59/350871759.db2.gz ASHZDIMILTUIHN-PWSUYJOCSA-N -1 1 281.783 3.283 20 0 CGADMM CC[C@H](C)[C@@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630821254 350893950 /nfs/dbraw/zinc/89/39/50/350893950.db2.gz UBDVZJQZDVQMRG-VHSXEESVSA-N -1 1 269.772 3.139 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N(CC1CC1)CC1CC1 ZINC000631323404 351024768 /nfs/dbraw/zinc/02/47/68/351024768.db2.gz HTLRNKLOGYNTPY-UHFFFAOYSA-N -1 1 293.794 3.237 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCCC(F)(F)F ZINC000631570146 351070701 /nfs/dbraw/zinc/07/07/01/351070701.db2.gz PGFKVVIMZMJEMA-UHFFFAOYSA-N -1 1 295.688 3.047 20 0 CGADMM CC1(C)CC[C@@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000632255954 351188369 /nfs/dbraw/zinc/18/83/69/351188369.db2.gz CDLMTTSGTZTNRA-LLVKDONJSA-N -1 1 281.783 3.283 20 0 CGADMM CC[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631759576 351138270 /nfs/dbraw/zinc/13/82/70/351138270.db2.gz CCHBEWIYQOSCHJ-YPMHNXCESA-N -1 1 281.783 3.283 20 0 CGADMM CC(C)(C(=O)Nc1cccc(F)c1[O-])[C@@H]1CCCCO1 ZINC000633688253 351346737 /nfs/dbraw/zinc/34/67/37/351346737.db2.gz PYORYUWLDLQBOM-LBPRGKRZSA-N -1 1 281.327 3.065 20 0 CGADMM COc1cc(C(=O)N[C@@H]2CCCC23CC3)cc(Cl)c1[O-] ZINC000633770511 351363044 /nfs/dbraw/zinc/36/30/44/351363044.db2.gz JTPQYDCRAVCZNA-GFCCVEGCSA-N -1 1 295.766 3.117 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3cccc4cccnc43)c(=O)c2C1 ZINC000634592872 351529097 /nfs/dbraw/zinc/52/90/97/351529097.db2.gz XHANUFSHVJYIPP-SWLSCSKDSA-N -1 1 293.370 3.369 20 0 CGADMM COCCc1cc(=O)n(-c2ccc(C(C)(C)C)cc2)[n-]1 ZINC000634593223 351530249 /nfs/dbraw/zinc/53/02/49/351530249.db2.gz IRDQQDNZDSLGTP-UHFFFAOYSA-N -1 1 274.364 3.113 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3cccc(Cl)c3F)c(=O)c21 ZINC000634595133 351530931 /nfs/dbraw/zinc/53/09/31/351530931.db2.gz RADDBSIEPAYBJU-RDDDGLTNSA-N -1 1 266.703 3.228 20 0 CGADMM CCCc1c(C)[n-]n([C@H](C)COc2ccccc2)c1=O ZINC000634629077 351552064 /nfs/dbraw/zinc/55/20/64/351552064.db2.gz MGPZMTUULFVMFZ-IUODEOHRSA-N -1 1 274.364 3.088 20 0 CGADMM CCc1[n-]n(-c2nc(-c3ccccc3)no2)c(=O)c1C(C)C ZINC000634602171 351536495 /nfs/dbraw/zinc/53/64/95/351536495.db2.gz IVWTVJFEYYCLMQ-CYBMUJFWSA-N -1 1 298.346 3.121 20 0 CGADMM CCCc1c(C)[n-]n(-c2cc(F)c(F)cc2F)c1=O ZINC000634612503 351542563 /nfs/dbraw/zinc/54/25/63/351542563.db2.gz ZYTYDQXBFNFTHK-MRVPVSSYSA-N -1 1 270.254 3.243 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)[C@@H]2CCCC[C@@H]21 ZINC000123720939 187105979 /nfs/dbraw/zinc/10/59/79/187105979.db2.gz KIUBFCZMSDCPMX-IXPVHAAZSA-N -1 1 277.339 3.182 20 0 CGADMM CC[C@@H](NC(=O)c1cncc([O-])c1)C(C)(C)c1ccccc1 ZINC000339895922 215386232 /nfs/dbraw/zinc/38/62/32/215386232.db2.gz KQBCYWKZHYHTTO-MRXNPFEDSA-N -1 1 298.386 3.273 20 0 CGADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000055114373 137923037 /nfs/dbraw/zinc/92/30/37/137923037.db2.gz PAOYBVHPXUJTLP-UHFFFAOYSA-N -1 1 298.342 3.220 20 0 CGADMM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cncc([O-])c1 ZINC000288544154 291050052 /nfs/dbraw/zinc/05/00/52/291050052.db2.gz HSQVJRSEFFUDJB-AAEUAGOBSA-N -1 1 276.380 3.074 20 0 CGADMM O=C(Nc1ccncc1[O-])c1cc2ccc(Cl)cc2[nH]1 ZINC000109891275 138362009 /nfs/dbraw/zinc/36/20/09/138362009.db2.gz ADPSLUYFDMKMHG-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM O=C([O-])C[C@H](NCc1ccccc1)c1ccc(F)cc1F ZINC000426805509 236315994 /nfs/dbraw/zinc/31/59/94/236315994.db2.gz CCDFWGSKWYBFSF-HNNXBMFYSA-N -1 1 291.297 3.270 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(Cl)ccc1F ZINC000263506362 138574202 /nfs/dbraw/zinc/57/42/02/138574202.db2.gz MDKSAKUIAZQONV-VHSXEESVSA-N -1 1 285.746 3.164 20 0 CGADMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1c([O-])cccc1F ZINC000436837681 237193347 /nfs/dbraw/zinc/19/33/47/237193347.db2.gz IKQUYIJBYBIDKF-AWEZNQCLSA-N -1 1 299.345 3.455 20 0 CGADMM O=C(Nc1ncc(-c2ccccn2)s1)c1ccccc1[O-] ZINC000436838627 237194036 /nfs/dbraw/zinc/19/40/36/237194036.db2.gz JYGSOLYLIAGUND-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM O=C(NCC1(C(F)F)CC1)c1ccc2ccccc2c1[O-] ZINC000436854434 237196668 /nfs/dbraw/zinc/19/66/68/237196668.db2.gz SHMCBJFVMFHFJA-UHFFFAOYSA-N -1 1 291.297 3.321 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N(C)CCCCC(=O)[O-] ZINC000342124027 216228076 /nfs/dbraw/zinc/22/80/76/216228076.db2.gz IJHIKJTXBNLUED-JTQLQIEISA-N -1 1 271.307 3.213 20 0 CGADMM CC[C@@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301528466 201049504 /nfs/dbraw/zinc/04/95/04/201049504.db2.gz KAWQBDBZFGMFRB-SECBINFHSA-N -1 1 272.352 3.071 20 0 CGADMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000451045468 240201915 /nfs/dbraw/zinc/20/19/15/240201915.db2.gz XWGUESMDCUBOQL-RKDXNWHRSA-N -1 1 293.841 3.259 20 0 CGADMM C[C@@H](c1ccccc1)N(C(=O)c1ncccc1[O-])C1CC1 ZINC000275392572 193020181 /nfs/dbraw/zinc/02/01/81/193020181.db2.gz XRUHQQQLERIREO-LBPRGKRZSA-N -1 1 282.343 3.153 20 0 CGADMM C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459348151 242083077 /nfs/dbraw/zinc/08/30/77/242083077.db2.gz WKSUGMKSSHIQGL-GFCCVEGCSA-N -1 1 295.386 3.006 20 0 CGADMM CC[C@@]1(C)CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000335528601 212222324 /nfs/dbraw/zinc/22/23/24/212222324.db2.gz FCYNOEGYVUVMRC-AWEZNQCLSA-N -1 1 277.393 3.019 20 0 CGADMM O=C(Nc1cccc(Br)c1)c1ccccc1[O-] ZINC000011639189 368592864 /nfs/dbraw/zinc/59/28/64/368592864.db2.gz UPKONWBISAFFKB-UHFFFAOYSA-N -1 1 292.132 3.407 20 0 CGADMM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000021791177 368810241 /nfs/dbraw/zinc/81/02/41/368810241.db2.gz YBBXYLZWQKXBHP-CABZTGNLSA-N -1 1 267.756 3.354 20 0 CGADMM C[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000037912281 369125414 /nfs/dbraw/zinc/12/54/14/369125414.db2.gz QTLISRRHFCYUIA-LLVKDONJSA-N -1 1 255.317 3.170 20 0 CGADMM Cc1ncsc1/C=C\C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000492689303 244007748 /nfs/dbraw/zinc/00/77/48/244007748.db2.gz MSJSUXRXSQKPSL-PLNGDYQASA-N -1 1 294.763 3.462 20 0 CGADMM CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000042252948 369207641 /nfs/dbraw/zinc/20/76/41/369207641.db2.gz FDZJIVANLXPGRU-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1F ZINC000048652319 369362979 /nfs/dbraw/zinc/36/29/79/369362979.db2.gz UWWDMRLYUJOBJP-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM O=C([O-])[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000086726108 370021690 /nfs/dbraw/zinc/02/16/90/370021690.db2.gz ZFKSFZANYYZPQT-LLVKDONJSA-N -1 1 274.147 3.042 20 0 CGADMM Cc1ccc(NC(=O)c2cncc([O-])c2)c(Cl)c1 ZINC000104408494 370344984 /nfs/dbraw/zinc/34/49/84/370344984.db2.gz VMGKSFSSVUCSBE-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(Cc2ccccc2F)no1 ZINC000132987224 371217777 /nfs/dbraw/zinc/21/77/77/371217777.db2.gz ZTBCPHUCNPEEBU-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM Cc1cccc([C@H]2CCCN2C(=O)c2ncc(C)cc2[O-])c1 ZINC000331873014 204250008 /nfs/dbraw/zinc/25/00/08/204250008.db2.gz GVIYGSNHBLMIHS-OAHLLOKOSA-N -1 1 296.370 3.381 20 0 CGADMM O=C(Nc1cccc(-c2ncco2)c1)c1ccccc1[O-] ZINC000150905579 371547501 /nfs/dbraw/zinc/54/75/01/371547501.db2.gz ASFXOYOGCFUNGX-UHFFFAOYSA-N -1 1 280.283 3.300 20 0 CGADMM CSc1ccc([C@@H](C)NC(=O)c2ncccc2[O-])cc1 ZINC000337120132 213878965 /nfs/dbraw/zinc/87/89/65/213878965.db2.gz YKPJXFZUQBJVQR-SNVBAGLBSA-N -1 1 288.372 3.000 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H]1C ZINC000153781916 371787072 /nfs/dbraw/zinc/78/70/72/371787072.db2.gz SEXDJHJHCOKDDR-ZJUUUORDSA-N -1 1 267.756 3.164 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)[C@@H](C)c1ccccc1 ZINC000154957267 371893346 /nfs/dbraw/zinc/89/33/46/371893346.db2.gz JRFTWVQADOIGJM-VXGBXAGGSA-N -1 1 287.334 3.453 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1CF ZINC000294112555 372585319 /nfs/dbraw/zinc/58/53/19/372585319.db2.gz PEKMMJXARNTCKT-CYBMUJFWSA-N -1 1 273.307 3.120 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1 ZINC000433507719 372607772 /nfs/dbraw/zinc/60/77/72/372607772.db2.gz CUKXGLUNHKNFEZ-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM CCSc1nnc([N-]C(=O)c2ccoc2Cl)s1 ZINC000433582698 372612324 /nfs/dbraw/zinc/61/23/24/372612324.db2.gz MNIQJCRFZIEXSC-UHFFFAOYSA-N -1 1 289.769 3.149 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@H]2CCO[C@@H](C)C2)n1 ZINC000447287197 373416150 /nfs/dbraw/zinc/41/61/50/373416150.db2.gz XFEXJGOZMLMOEA-QWRGUYRKSA-N -1 1 282.409 3.042 20 0 CGADMM C[C@@H](N(C)C(=O)c1ccc(Cl)cc1[O-])C1(C)CC1 ZINC000175642263 373499014 /nfs/dbraw/zinc/49/90/14/373499014.db2.gz XCJLIUCVIYSBFE-SECBINFHSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H]2CCC[C@@H]21 ZINC000436841263 296206397 /nfs/dbraw/zinc/20/63/97/296206397.db2.gz YKSXTYJKRYVUKI-SKDRFNHKSA-N -1 1 299.292 3.426 20 0 CGADMM Cc1ccc(-c2[nH]nc(NC(=O)c3ccccc3[O-])c2C)o1 ZINC000180763710 374043227 /nfs/dbraw/zinc/04/32/27/374043227.db2.gz UUAYDSXHQSUBPO-UHFFFAOYSA-N -1 1 297.314 3.244 20 0 CGADMM COC1(CSc2nc(C(F)F)cc(=O)[n-]2)CCCC1 ZINC000289500380 197378247 /nfs/dbraw/zinc/37/82/47/197378247.db2.gz KNRINYWRWGVWIO-UHFFFAOYSA-N -1 1 290.335 3.171 20 0 CGADMM CC[C@H]1[C@H](C)CCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000334143682 206067976 /nfs/dbraw/zinc/06/79/76/206067976.db2.gz FRJVJYDROHEHQU-SKDRFNHKSA-N -1 1 297.782 3.315 20 0 CGADMM O=C(CCc1ccc(O)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000184067101 374487024 /nfs/dbraw/zinc/48/70/24/374487024.db2.gz RDVBLWUAVQCJOM-UHFFFAOYSA-N -1 1 291.734 3.323 20 0 CGADMM COc1ccc(C(=O)Nc2scnc2C(C)C)c([O-])c1 ZINC000456457887 374548109 /nfs/dbraw/zinc/54/81/09/374548109.db2.gz PQLZWLDDHORVGQ-UHFFFAOYSA-N 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262.696 3.001 20 0 CGADMM CC(C)n1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000336157196 375734043 /nfs/dbraw/zinc/73/40/43/375734043.db2.gz XTJKORWLLJXABH-UHFFFAOYSA-N -1 1 279.727 3.075 20 0 CGADMM CCc1cccc2c1N(C(=O)c1ccc(OC)cc1[O-])CC2 ZINC000539841510 376340807 /nfs/dbraw/zinc/34/08/07/376340807.db2.gz ZKLOWKBYBINIBK-UHFFFAOYSA-N -1 1 297.354 3.166 20 0 CGADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccsc1 ZINC000229356474 376461959 /nfs/dbraw/zinc/46/19/59/376461959.db2.gz PNGZLJAKIRLEST-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM C[C@@H](c1cccs1)N(CC(=O)[O-])Cc1ccccc1 ZINC000262176859 296243259 /nfs/dbraw/zinc/24/32/59/296243259.db2.gz DCEINIZKVVQWLI-LBPRGKRZSA-N -1 1 275.373 3.396 20 0 CGADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000235427275 376642058 /nfs/dbraw/zinc/64/20/58/376642058.db2.gz XDPJXBXKHMQLAW-OUAUKWLOSA-N -1 1 265.328 3.038 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc2c(cccc2F)[nH]1 ZINC000340326803 377001906 /nfs/dbraw/zinc/00/19/06/377001906.db2.gz 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/nfs/dbraw/zinc/14/46/30/249144630.db2.gz JDOPDOSMVYJODE-UHFFFAOYSA-N -1 1 295.329 3.371 20 0 CGADMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000251525320 377587018 /nfs/dbraw/zinc/58/70/18/377587018.db2.gz AJXMZEOBNXANLU-NTZNESFSSA-N -1 1 265.353 3.088 20 0 CGADMM Cc1cnc(SC[C@H]2CCCCC2(F)F)[n-]c1=O ZINC000519001158 249290752 /nfs/dbraw/zinc/29/07/52/249290752.db2.gz RNHVOKVCCLIBFT-SECBINFHSA-N -1 1 274.336 3.408 20 0 CGADMM C[C@@H]1CC[C@H](CCc2nc(-c3ccc([O-])cc3F)no2)O1 ZINC000278212858 193865595 /nfs/dbraw/zinc/86/55/95/193865595.db2.gz QIRYRRMOHIXKQO-MWLCHTKSSA-N -1 1 292.310 3.081 20 0 CGADMM Cc1cnc(S[C@@H]2CCc3ccc(F)cc32)[n-]c1=O ZINC000574585590 377683536 /nfs/dbraw/zinc/68/35/36/377683536.db2.gz ZKZIPCMVQDHHBI-GFCCVEGCSA-N -1 1 276.336 3.409 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1F ZINC000263509152 377943264 /nfs/dbraw/zinc/94/32/64/377943264.db2.gz MXARRKJEWPLMES-GXSJLCMTSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@H](c1ccco1)[N@@H+](C)CCC(C)(C)CC(=O)[O-] 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CC(C)[C@@H](C)N(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000271271720 378487656 /nfs/dbraw/zinc/48/76/56/378487656.db2.gz OOTMZCDITCBRMF-SNVBAGLBSA-N -1 1 265.328 3.180 20 0 CGADMM CCc1ccc(C[N@@H+](C)[C@H](C)c2nc(C)cc(=O)[nH]2)cc1 ZINC000346506673 378598698 /nfs/dbraw/zinc/59/86/98/378598698.db2.gz PKUPYKYEBDGMKY-CYBMUJFWSA-N -1 1 285.391 3.246 20 0 CGADMM C[C@@H](CCC(C)(C)C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000348578133 378997588 /nfs/dbraw/zinc/99/75/88/378997588.db2.gz SHCFQZVVCBZKEA-ZETCQYMHSA-N -1 1 292.305 3.224 20 0 CGADMM CCc1ccc(CN[C@H](CCc2ccccc2)C(=O)[O-])o1 ZINC000277111702 379071926 /nfs/dbraw/zinc/07/19/26/379071926.db2.gz AKZMUAZJXHONKV-MRXNPFEDSA-N -1 1 287.359 3.018 20 0 CGADMM CC[C@@H](C)CN(CC)C(=O)c1c(F)ccc([O-])c1F ZINC000348846732 379084422 /nfs/dbraw/zinc/08/44/22/379084422.db2.gz GFYZOGHNQUXAGF-SECBINFHSA-N -1 1 271.307 3.179 20 0 CGADMM [O-]c1ccc(-c2noc(CC[C@@H]3CCCCO3)n2)c(F)c1 ZINC000277891433 379259803 /nfs/dbraw/zinc/25/98/03/379259803.db2.gz CYCYRZNXVGAWOI-NSHDSACASA-N 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/nfs/dbraw/zinc/98/43/29/379984329.db2.gz FVVWKWKOVKANRV-SECBINFHSA-N -1 1 285.796 3.088 20 0 CGADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccsc2C)o1 ZINC000417578236 380643293 /nfs/dbraw/zinc/64/32/93/380643293.db2.gz XZVJUYACNMFUTB-GFCCVEGCSA-N -1 1 279.361 3.264 20 0 CGADMM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cncc([O-])c3)C2)cc1 ZINC000279262697 194357518 /nfs/dbraw/zinc/35/75/18/194357518.db2.gz MLAKMRIPWYQTGF-BBRMVZONSA-N -1 1 296.370 3.114 20 0 CGADMM Cc1cc(-c2nc(=O)c3c(C(C)C)csc3[n-]2)no1 ZINC000358846528 381328835 /nfs/dbraw/zinc/32/88/35/381328835.db2.gz KONQTTFVZVWHLZ-UHFFFAOYSA-N -1 1 275.333 3.484 20 0 CGADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccsc2)c(C)c1 ZINC000360230023 381490197 /nfs/dbraw/zinc/49/01/97/381490197.db2.gz IJHHLZFYVQBRAJ-UHFFFAOYSA-N -1 1 281.402 3.474 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CC3(F)F)n2)c(Cl)c1 ZINC000335146172 207772604 /nfs/dbraw/zinc/77/26/04/207772604.db2.gz GAIIEQMDJRXHFN-ZETCQYMHSA-N -1 1 272.638 3.218 20 0 CGADMM CC(C)CC1(CNC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000281055808 195085879 /nfs/dbraw/zinc/08/58/79/195085879.db2.gz RGMVPHOUANWASR-UHFFFAOYSA-N -1 1 283.318 3.227 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CCCS3)n2)c(F)c1 ZINC000335248133 208023095 /nfs/dbraw/zinc/02/30/95/208023095.db2.gz DUHNPHFAXIWMLT-SNVBAGLBSA-N -1 1 266.297 3.149 20 0 CGADMM CCOCC1(c2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000288936700 197196000 /nfs/dbraw/zinc/19/60/00/197196000.db2.gz AOFHXPOXGQWCJZ-UHFFFAOYSA-N -1 1 294.738 3.164 20 0 CGADMM COCC1(CSc2nc(C(F)F)cc(=O)[n-]2)CCC1 ZINC000359157549 533143259 /nfs/dbraw/zinc/14/32/59/533143259.db2.gz NCDGSHUZRMPXOU-UHFFFAOYSA-N -1 1 290.335 3.029 20 0 CGADMM O=C(N[C@@H]1CCC(F)(F)C1)c1ccc2ccccc2c1[O-] ZINC000314678847 542436155 /nfs/dbraw/zinc/43/61/55/542436155.db2.gz CIRXREBZEFCVDU-LLVKDONJSA-N -1 1 291.297 3.463 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])cccc1F)[C@H](C)c1ccccc1 ZINC000436609584 533274001 /nfs/dbraw/zinc/27/40/01/533274001.db2.gz SGQUDZYCYJJQJV-NWDGAFQWSA-N -1 1 287.334 3.453 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])[C@H]1C ZINC000177080126 533626567 /nfs/dbraw/zinc/62/65/67/533626567.db2.gz ZGWOQKAEHCXYCP-IUCAKERBSA-N -1 1 298.180 3.025 20 0 CGADMM Cc1cccc(OCC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000067738935 392159617 /nfs/dbraw/zinc/15/96/17/392159617.db2.gz JOQZMZWAKYRQCM-UHFFFAOYSA-N -1 1 291.734 3.372 20 0 CGADMM C[C@@H](CC1CC1)NC(=O)c1ccc(Br)cc1[O-] ZINC000070104942 392176844 /nfs/dbraw/zinc/17/68/44/392176844.db2.gz LVJBPBCRJKOWFO-QMMMGPOBSA-N -1 1 298.180 3.073 20 0 CGADMM CCC(C)(C)OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000457649114 392718436 /nfs/dbraw/zinc/71/84/36/392718436.db2.gz CLGMMLIABCASKR-UHFFFAOYSA-N -1 1 271.744 3.189 20 0 CGADMM CN(CCC(C)(C)C)C(=O)c1ccc([O-])c(F)c1 ZINC000649028103 393325998 /nfs/dbraw/zinc/32/59/98/393325998.db2.gz MWNIUEOIKISLIC-UHFFFAOYSA-N -1 1 253.317 3.040 20 0 CGADMM Cc1cc(=O)n(-c2ccc(Cl)c(C(F)(F)F)c2)[n-]1 ZINC000607716365 542774678 /nfs/dbraw/zinc/77/46/78/542774678.db2.gz TVOUAPRZUIBULW-UHFFFAOYSA-N -1 1 276.645 3.471 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@@H]2CCc3ccccc32)n1 ZINC000432673910 393626832 /nfs/dbraw/zinc/62/68/32/393626832.db2.gz YJGIHMCLPSFSMD-NSHDSACASA-N -1 1 288.372 3.018 20 0 CGADMM Cc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)n1 ZINC000445447502 393793762 /nfs/dbraw/zinc/79/37/62/393793762.db2.gz HUSQZFWXMUDAQH-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(F)cc1[O-] ZINC000450141110 393984911 /nfs/dbraw/zinc/98/49/11/393984911.db2.gz HYOFJAMYWFAUHP-ZETCQYMHSA-N -1 1 279.233 3.448 20 0 CGADMM O=C([O-])CCCCNc1ccnc2cc(F)ccc21 ZINC000668161530 542978854 /nfs/dbraw/zinc/97/88/54/542978854.db2.gz NSXVLRCJALSOJM-UHFFFAOYSA-N -1 1 262.284 3.041 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000669226303 543094464 /nfs/dbraw/zinc/09/44/64/543094464.db2.gz PNKILJDWXVCVHF-SWLSCSKDSA-N -1 1 296.370 3.345 20 0 CGADMM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1cncc([O-])c1 ZINC000670809748 543158195 /nfs/dbraw/zinc/15/81/95/543158195.db2.gz NOIJZALBMJJSPC-KRWDZBQOSA-N -1 1 296.370 3.183 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000047367570 397632256 /nfs/dbraw/zinc/63/22/56/397632256.db2.gz HKMFPYSXXYTKRD-UHFFFAOYSA-N -1 1 275.373 3.413 20 0 CGADMM C[C@@H](c1cccs1)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762444 397641970 /nfs/dbraw/zinc/64/19/70/397641970.db2.gz ISURWDCYQUSCAZ-JTQLQIEISA-N -1 1 276.361 3.034 20 0 CGADMM CC(F)(F)CCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000650819719 397929769 /nfs/dbraw/zinc/92/97/69/397929769.db2.gz OFIKPHFLGDZNDD-UHFFFAOYSA-N -1 1 297.223 3.186 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC12CCC2 ZINC000675331857 543331605 /nfs/dbraw/zinc/33/16/05/543331605.db2.gz XGOJDFYQYIGROB-VIFPVBQESA-N -1 1 251.713 3.174 20 0 CGADMM Cn1cnc2cc(-c3nc4cccc(F)c4c(=O)[n-]3)ccc21 ZINC000676557937 543405007 /nfs/dbraw/zinc/40/50/07/543405007.db2.gz DQEVVKKASUCPBQ-UHFFFAOYSA-N -1 1 294.289 3.028 20 0 CGADMM CCN(CC(C)C)C(=O)c1ccc(Cl)cc1[O-] ZINC000037023456 286883865 /nfs/dbraw/zinc/88/38/65/286883865.db2.gz VHISPRFJEZZDRX-UHFFFAOYSA-N -1 1 255.745 3.164 20 0 CGADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C1CCCC1 ZINC000070308316 286988013 /nfs/dbraw/zinc/98/80/13/286988013.db2.gz JWVRDDJAENDWJO-SECBINFHSA-N -1 1 267.756 3.354 20 0 CGADMM COc1cc(Cl)c(C)cc1NC(=O)c1cncc([O-])c1 ZINC000082338314 165171774 /nfs/dbraw/zinc/17/17/74/165171774.db2.gz SCLCJRJUCDDMGP-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)n1 ZINC000085204562 165178395 /nfs/dbraw/zinc/17/83/95/165178395.db2.gz FJYPOYFKHKXOLT-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc2[nH]nnc2c1 ZINC000110729228 287131885 /nfs/dbraw/zinc/13/18/85/287131885.db2.gz PJKYNPWLOFMGHA-YPMHNXCESA-N -1 1 286.379 3.047 20 0 CGADMM CC[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H](C)O1 ZINC000111644743 287135601 /nfs/dbraw/zinc/13/56/01/287135601.db2.gz UYFVOLUSURCNHM-TZMCWYRMSA-N -1 1 299.370 3.185 20 0 CGADMM C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])C[C@@H](C)C1 ZINC000119330372 287168167 /nfs/dbraw/zinc/16/81/67/287168167.db2.gz KZJHVTNWNWKJQW-QWRGUYRKSA-N -1 1 265.328 3.040 20 0 CGADMM CC(C)(C)C1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000124060530 287228888 /nfs/dbraw/zinc/22/88/88/287228888.db2.gz DYUVHSKCQVIIOR-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM CC(C)(CNC(=O)c1c([O-])cccc1F)c1cccs1 ZINC000124603178 287235190 /nfs/dbraw/zinc/23/51/90/287235190.db2.gz XBMJHNGGTIINEG-UHFFFAOYSA-N -1 1 293.363 3.300 20 0 CGADMM CC(C)c1ccc(N(C)C(=O)c2cncc([O-])c2)cc1 ZINC000284721044 196118347 /nfs/dbraw/zinc/11/83/47/196118347.db2.gz FTTKBJVTJPYERJ-UHFFFAOYSA-N -1 1 270.332 3.187 20 0 CGADMM CCC[C@@](C)(NCc1nc2ccccc2s1)C(=O)[O-] ZINC000038090474 174103899 /nfs/dbraw/zinc/10/38/99/174103899.db2.gz SVCOPTDYYSXGAK-CQSZACIVSA-N -1 1 278.377 3.029 20 0 CGADMM CC[C@@H]1CN(Cc2cccc([O-])c2Cl)[C@H](C)CO1 ZINC000403755405 416549262 /nfs/dbraw/zinc/54/92/62/416549262.db2.gz DDKQZXJALQTVCH-ZYHUDNBSSA-N -1 1 269.772 3.045 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc([O-])cc2F)CCc2ccccc21 ZINC000404758068 416557483 /nfs/dbraw/zinc/55/74/83/416557483.db2.gz AQTVCYXIFBMHCR-LBPRGKRZSA-N -1 1 299.345 3.333 20 0 CGADMM CC(C)c1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000220002180 260083120 /nfs/dbraw/zinc/08/31/20/260083120.db2.gz PFSSMXAAEKITKJ-UHFFFAOYSA-N -1 1 271.316 3.474 20 0 CGADMM CC1(C)CC[C@@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000679811341 543661999 /nfs/dbraw/zinc/66/19/99/543661999.db2.gz BNLLOHBFLRQGDG-SECBINFHSA-N -1 1 251.301 3.296 20 0 CGADMM O=C(Nc1cccc2cc[nH]c21)c1ccc([O-])c(F)c1 ZINC000681365481 543784149 /nfs/dbraw/zinc/78/41/49/543784149.db2.gz IGLRFTUIBATJOA-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([O-])cc1F)CC2 ZINC000681517487 543793010 /nfs/dbraw/zinc/79/30/10/543793010.db2.gz HXBDWOUDCBMZNN-MRXNPFEDSA-N -1 1 285.318 3.257 20 0 CGADMM CCN(Cc1ccccc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681013993 543756634 /nfs/dbraw/zinc/75/66/34/543756634.db2.gz FMKXEDXCPCTUMC-UHFFFAOYSA-N -1 1 273.307 3.194 20 0 CGADMM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681018624 543757389 /nfs/dbraw/zinc/75/73/89/543757389.db2.gz OAPODJMSOVEZQP-JQWIXIFHSA-N -1 1 265.328 3.182 20 0 CGADMM O=C(NCCC1CCCCC1)c1ccc([O-])c(F)c1 ZINC000681017993 543757525 /nfs/dbraw/zinc/75/75/25/543757525.db2.gz HTGLDKSSQYDWDS-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM O=C(NCc1c(F)cccc1Cl)c1ccc([O-])c(F)c1 ZINC000681017400 543757552 /nfs/dbraw/zinc/75/75/52/543757552.db2.gz WHGLJZWRNGOXOU-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681018149 543758027 /nfs/dbraw/zinc/75/80/27/543758027.db2.gz KELLNEGAZWYOAO-GWCFXTLKSA-N -1 1 265.328 3.230 20 0 CGADMM O=C(NC1(c2ccc(F)cc2)CC1)c1ccc([O-])c(F)c1 ZINC000681041334 543759645 /nfs/dbraw/zinc/75/96/45/543759645.db2.gz GFDGERITXRADPX-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM CC(C)CN(CC(C)C)C(=O)c1ccc([O-])c(F)c1 ZINC000681046729 543760277 /nfs/dbraw/zinc/76/02/77/543760277.db2.gz PYHDALRMLBTCMU-UHFFFAOYSA-N -1 1 267.344 3.286 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000681054644 543761521 /nfs/dbraw/zinc/76/15/21/543761521.db2.gz ZNVZZUOIVHFPIQ-JSGCOSHPSA-N -1 1 295.379 3.032 20 0 CGADMM CCC(CC)(CC)CNC(=O)c1ccc([O-])c(F)c1 ZINC000681056236 543762069 /nfs/dbraw/zinc/76/20/69/543762069.db2.gz XQAPFFJXKMYTCZ-UHFFFAOYSA-N -1 1 267.344 3.478 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1c(C)noc1C ZINC000681059567 543762128 /nfs/dbraw/zinc/76/21/28/543762128.db2.gz YDLTWQIFYQIZCX-GFCCVEGCSA-N -1 1 292.310 3.017 20 0 CGADMM O=C(Nc1scnc1C1CC1)c1ccc([O-])c(F)c1 ZINC000681062679 543762143 /nfs/dbraw/zinc/76/21/43/543762143.db2.gz LLTOVVQEXPYSCJ-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc([O-])c(F)c2)C[C@@H]1C ZINC000681068511 543762938 /nfs/dbraw/zinc/76/29/38/543762938.db2.gz PRYLUWYKCLDDAM-SCVCMEIPSA-N -1 1 265.328 3.086 20 0 CGADMM CC[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000130508268 287357335 /nfs/dbraw/zinc/35/73/35/287357335.db2.gz IPPYIWHYFAKMAV-LBPRGKRZSA-N -1 1 269.344 3.418 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1c[nH]c(=O)c2ccccc12 ZINC000682516685 543849667 /nfs/dbraw/zinc/84/96/67/543849667.db2.gz IQJWRTLMQFZKJK-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccncc1 ZINC000683454425 543915814 /nfs/dbraw/zinc/91/58/14/543915814.db2.gz JJFSXTNBPRSBGS-SECBINFHSA-N -1 1 273.361 3.308 20 0 CGADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000684526994 544011950 /nfs/dbraw/zinc/01/19/50/544011950.db2.gz KFSZMCQPJXNDBS-GFCCVEGCSA-N -1 1 279.355 3.430 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])c(F)c1)C1CCCC1 ZINC000654218500 418943683 /nfs/dbraw/zinc/94/36/83/418943683.db2.gz JGDYMCNEOYTDJP-ZDUSSCGKSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1ccc([C@@H](C)N(C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000652388677 418959787 /nfs/dbraw/zinc/95/97/87/418959787.db2.gz RTZCPXWRMFWQQE-GFCCVEGCSA-N -1 1 273.332 3.479 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccco1 ZINC000652411396 418964325 /nfs/dbraw/zinc/96/43/25/418964325.db2.gz HNAZKVSGZSUGJE-GFCCVEGCSA-N -1 1 289.331 3.470 20 0 CGADMM CCCC[C@@H](CC)CCNCc1nocc1C(=O)[O-] ZINC000653508118 419039711 /nfs/dbraw/zinc/03/97/11/419039711.db2.gz YMRQTQQTWVKVIH-LLVKDONJSA-N -1 1 268.357 3.069 20 0 CGADMM Cc1ccc(CN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)cn1 ZINC000659794115 418993634 /nfs/dbraw/zinc/99/36/34/418993634.db2.gz SLTRNTGRUNTBQP-DLBZAZTESA-N -1 1 296.370 3.180 20 0 CGADMM CC[C@@H](C(=O)[O-])N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656759054 419210812 /nfs/dbraw/zinc/21/08/12/419210812.db2.gz VECIMSVMVOBMOF-NSHDSACASA-N -1 1 288.174 3.215 20 0 CGADMM CCc1nc(SCC(=O)C(C)(C)CC)[n-]c(=O)c1C ZINC000657263824 419239633 /nfs/dbraw/zinc/23/96/33/419239633.db2.gz XQIMKHATWGNLMT-UHFFFAOYSA-N -1 1 282.409 3.150 20 0 CGADMM COc1ccc(-c2nc(-c3cc(C)cc(C)n3)no2)c([O-])c1 ZINC000319350976 262198983 /nfs/dbraw/zinc/19/89/83/262198983.db2.gz MTJCFUJOEHGZPZ-UHFFFAOYSA-N -1 1 297.314 3.130 20 0 CGADMM CCCCOCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000045109965 270038024 /nfs/dbraw/zinc/03/80/24/270038024.db2.gz WUBRYDROYXLXII-UHFFFAOYSA-N -1 1 287.359 3.092 20 0 CGADMM O=C(Nc1cc(F)cc(Cl)c1)c1ccccc1[O-] ZINC000219004374 270085830 /nfs/dbraw/zinc/08/58/30/270085830.db2.gz IBXPFGMMFOQAHR-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccccc3F)no2)c(F)c1 ZINC000230228751 270088872 /nfs/dbraw/zinc/08/88/72/270088872.db2.gz WSPNGLOLWLPQAQ-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM [O-]c1c(-c2nc(-c3ccncn3)no2)ccc2ccccc21 ZINC000316836210 270092985 /nfs/dbraw/zinc/09/29/85/270092985.db2.gz LMNXTVLSGUVNCW-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM Cc1cnc(S[C@H](C)C(=O)C2CCCCC2)[n-]c1=O ZINC000521462726 270102064 /nfs/dbraw/zinc/10/20/64/270102064.db2.gz NCOCMRIINLKLOL-SNVBAGLBSA-N -1 1 280.393 3.121 20 0 CGADMM CCC(F)(F)C(C)(C)CN=c1nc([C@H](C)OC)[n-]s1 ZINC000528183207 270156640 /nfs/dbraw/zinc/15/66/40/270156640.db2.gz WXFXPWSAFALKBX-QMMMGPOBSA-N -1 1 293.383 3.151 20 0 CGADMM CCN(Cc1occc1C)C(=O)c1cc(F)ccc1[O-] ZINC000412790603 288057245 /nfs/dbraw/zinc/05/72/45/288057245.db2.gz OIUCPESPEKMAAV-UHFFFAOYSA-N -1 1 277.295 3.095 20 0 CGADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)Cc2ccccc2O1 ZINC000263385444 288213103 /nfs/dbraw/zinc/21/31/03/288213103.db2.gz CRUDPWLZDZBSPP-CYBMUJFWSA-N -1 1 297.354 3.168 20 0 CGADMM COc1cccc(CSc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000540716445 288668299 /nfs/dbraw/zinc/66/82/99/288668299.db2.gz RMALGGAQMFCFHF-UHFFFAOYSA-N -1 1 276.361 3.100 20 0 CGADMM CC(C)(CNC(=O)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000549034323 289032265 /nfs/dbraw/zinc/03/22/65/289032265.db2.gz GKHINDGFFYQCRT-UHFFFAOYSA-N -1 1 295.688 3.364 20 0 CGADMM CO[C@H](CSc1nc(C)c(C)c(=O)[n-]1)c1ccccc1 ZINC000549221164 289038040 /nfs/dbraw/zinc/03/80/40/289038040.db2.gz RFXIYJLQCKVYQU-CYBMUJFWSA-N -1 1 290.388 3.279 20 0 CGADMM Cc1ccc(-c2cc(C(=O)Nc3cnn(C(C)C)c3)[nH]n2)o1 ZINC000550572265 289078452 /nfs/dbraw/zinc/07/84/52/289078452.db2.gz QTXWPALCMGGZLS-UHFFFAOYSA-N -1 1 299.334 3.008 20 0 CGADMM CC(C)(C)C(C)(C)CNC(=O)c1c(F)ccc([O-])c1F ZINC000554378788 289279497 /nfs/dbraw/zinc/27/94/97/289279497.db2.gz KDTOOFOLDLVOKE-UHFFFAOYSA-N -1 1 285.334 3.473 20 0 CGADMM O=C([O-])[C@H](c1ccccc1)N1CCC[C@@H]1c1ccco1 ZINC000564575708 322034774 /nfs/dbraw/zinc/03/47/74/322034774.db2.gz GRWKENBTUNGVAW-HIFRSBDPSA-N -1 1 271.316 3.242 20 0 CGADMM C[C@H](C(=O)[O-])[N@@H+](Cc1c(F)cccc1Cl)C1CCC1 ZINC000565254588 322070613 /nfs/dbraw/zinc/07/06/13/322070613.db2.gz OBSCXYJDKONHNM-SECBINFHSA-N -1 1 285.746 3.307 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])co1)Cc1ccccc1C ZINC000566684333 322134557 /nfs/dbraw/zinc/13/45/57/322134557.db2.gz QGIKLTUVHODZJV-UHFFFAOYSA-N -1 1 273.332 3.308 20 0 CGADMM Cc1cccc([C@@H](NCc2ncccc2[O-])C(F)(F)F)c1 ZINC000568167593 322195898 /nfs/dbraw/zinc/19/58/98/322195898.db2.gz JKASAAJQBLDFJR-CQSZACIVSA-N -1 1 296.292 3.489 20 0 CGADMM O=C([O-])c1coc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000569700790 322254798 /nfs/dbraw/zinc/25/47/98/322254798.db2.gz HOFAEZJKWVWJOQ-OAHLLOKOSA-N -1 1 299.370 3.433 20 0 CGADMM CCc1nc(SC[C@@H]2CCC(C)(C)O2)[n-]c(=O)c1C ZINC000572542519 322342281 /nfs/dbraw/zinc/34/22/81/322342281.db2.gz DIHUOZOXUHDSHY-JTQLQIEISA-N -1 1 282.409 3.103 20 0 CGADMM CCc1nc(S[C@H](C)c2nnc(C)s2)[n-]c(=O)c1C ZINC000573104296 322370300 /nfs/dbraw/zinc/37/03/00/322370300.db2.gz NTAQFLSJIOMDPS-SSDOTTSWSA-N -1 1 296.421 3.066 20 0 CGADMM CC1(C)CCC[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC000389013588 328602826 /nfs/dbraw/zinc/60/28/26/328602826.db2.gz DZOYQTSZYJPGKV-JTQLQIEISA-N -1 1 265.328 3.087 20 0 CGADMM Cc1cnc(SC[C@H]2CCC[C@@H](C)C2)[n-]c1=O ZINC000582976890 329293552 /nfs/dbraw/zinc/29/35/52/329293552.db2.gz XFCAEZNZTWDIJO-KOLCDFICSA-N -1 1 252.383 3.409 20 0 CGADMM CCCc1cc(=O)[n-]c(SCC(=O)CC(C)(C)C)n1 ZINC000576214997 335171195 /nfs/dbraw/zinc/17/11/95/335171195.db2.gz TXILSEQESWNQQS-UHFFFAOYSA-N -1 1 282.409 3.232 20 0 CGADMM C[C@@H]1CCC[C@@H](c2nc3cc(F)c([O-])cc3c(=O)[nH]2)C1 ZINC000576728549 335240642 /nfs/dbraw/zinc/24/06/42/335240642.db2.gz LQUAUCHFVGUQAC-RKDXNWHRSA-N -1 1 276.311 3.062 20 0 CGADMM Cc1cc(C)c(NC(=O)c2ccc(O)cc2[O-])c(C)c1 ZINC000192636908 335285022 /nfs/dbraw/zinc/28/50/22/335285022.db2.gz IWVHGAHUVLTSTO-UHFFFAOYSA-N -1 1 271.316 3.275 20 0 CGADMM C[C@@H]1C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C[C@H](C)O1 ZINC000350830102 335538275 /nfs/dbraw/zinc/53/82/75/335538275.db2.gz CLAZPMFAMKWNES-DOFRTFSJSA-N -1 1 292.310 3.252 20 0 CGADMM CC[C@@H](N=c1nc([C@H](C)OC)[n-]s1)C1CCCC1 ZINC000382812107 336097498 /nfs/dbraw/zinc/09/74/98/336097498.db2.gz QFFGIHMZYOBNMQ-GXSJLCMTSA-N -1 1 269.414 3.048 20 0 CGADMM O=C([O-])c1ccoc1CN(Cc1ccccc1)C1CC1 ZINC000383586521 336114598 /nfs/dbraw/zinc/11/45/98/336114598.db2.gz QCWNJVHSQHHVBN-UHFFFAOYSA-N -1 1 271.316 3.142 20 0 CGADMM C[C@H](CC(F)F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000413656538 533750182 /nfs/dbraw/zinc/75/01/82/533750182.db2.gz OMSXEQNMGUHWCK-ZCFIWIBFSA-N -1 1 263.671 3.275 20 0 CGADMM CS[C@@H](CNC(=O)c1c([O-])cccc1F)C(C)(C)C ZINC000436987358 533926399 /nfs/dbraw/zinc/92/63/99/533926399.db2.gz JEFXIONBHJAOIK-NSHDSACASA-N -1 1 285.384 3.039 20 0 CGADMM CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1ccc([O-])cc1 ZINC000163962463 522935129 /nfs/dbraw/zinc/93/51/29/522935129.db2.gz XAVXKPSKFPOGJE-OAHLLOKOSA-N -1 1 294.347 3.456 20 0 CGADMM Cc1coc2ccc(NC(=O)c3cncc([O-])c3)cc12 ZINC000354842867 534752870 /nfs/dbraw/zinc/75/28/70/534752870.db2.gz PEJMEFVTLJJISS-UHFFFAOYSA-N -1 1 268.272 3.094 20 0 CGADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(F)ccc1[O-] ZINC000094153446 525352462 /nfs/dbraw/zinc/35/24/62/525352462.db2.gz DUDJYATYTNETJJ-SUNKGSAMSA-N -1 1 277.339 3.325 20 0 CGADMM CCO[C@H](CCNC(=O)c1cc(Cl)ccc1[O-])C(C)C ZINC000436588973 528048887 /nfs/dbraw/zinc/04/88/87/528048887.db2.gz NXLMHDZVAWTSSY-CQSZACIVSA-N -1 1 299.798 3.227 20 0 CGADMM CCOc1cc(NC(=O)c2ccc(O)cc2[O-])ccc1C ZINC000436750791 528322551 /nfs/dbraw/zinc/32/25/51/528322551.db2.gz YUQNPUKIEYSFLL-UHFFFAOYSA-N -1 1 287.315 3.057 20 0 CGADMM CC(C)[C@@H]1CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436794581 528704745 /nfs/dbraw/zinc/70/47/45/528704745.db2.gz VQNYQTNFZZDQPQ-NSHDSACASA-N -1 1 287.281 3.282 20 0 CGADMM CCN(Cc1occc1C)C(=O)c1ccc([O-])cc1F ZINC000412791513 528914258 /nfs/dbraw/zinc/91/42/58/528914258.db2.gz QZAWQOVTOSKQNL-UHFFFAOYSA-N -1 1 277.295 3.095 20 0 CGADMM CCCC[C@H]1CCC[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436685343 529002937 /nfs/dbraw/zinc/00/29/37/529002937.db2.gz BHLWZXGODCTKPB-SWLSCSKDSA-N -1 1 289.375 3.050 20 0 CGADMM CC1(C)CC[C@H](CNC(=O)c2ccc3ccccc3c2[O-])O1 ZINC000436779936 529043321 /nfs/dbraw/zinc/04/33/21/529043321.db2.gz BCQLPSXALYTFMD-CYBMUJFWSA-N -1 1 299.370 3.233 20 0 CGADMM CC(C)N(CC(=O)[O-])Cc1ccc(-c2ccccc2F)o1 ZINC000263512790 535039910 /nfs/dbraw/zinc/03/99/10/535039910.db2.gz NXHYLTPHMPAERN-UHFFFAOYSA-N -1 1 291.322 3.381 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cccc(C(C)=O)c2)n1 ZINC000450903503 536154832 /nfs/dbraw/zinc/15/48/32/536154832.db2.gz CYXUGUDFABMVQZ-UHFFFAOYSA-N -1 1 288.372 3.240 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CCc2c(C)cccc2C1 ZINC000738747051 572474110 /nfs/dbraw/zinc/47/41/10/572474110.db2.gz FFQVDWCLYHJAFM-UHFFFAOYSA-N -1 1 285.343 3.153 20 0 CGADMM Cc1cccc(CN(C)C(=O)c2c([O-])cccc2Cl)n1 ZINC000741286456 572491814 /nfs/dbraw/zinc/49/18/14/572491814.db2.gz SVKNHECJDVDWFG-UHFFFAOYSA-N -1 1 290.750 3.021 20 0 CGADMM Cc1nc(SCC(=O)c2ccc([O-])cc2)sc1C ZINC000741855188 572535679 /nfs/dbraw/zinc/53/56/79/572535679.db2.gz KYDYWGLFDTYUDM-UHFFFAOYSA-N -1 1 279.386 3.441 20 0 CGADMM C[C@@H](C(=O)[N-]OCc1cccnc1)c1cccc(Cl)c1 ZINC000746946108 572901335 /nfs/dbraw/zinc/90/13/35/572901335.db2.gz QADUQLZJYDSIEB-LLVKDONJSA-N -1 1 290.750 3.087 20 0 CGADMM O=C([O-])c1cccc(CN[C@@H]2CSc3ccccc32)c1 ZINC000821551729 598192534 /nfs/dbraw/zinc/19/25/34/598192534.db2.gz XEHJAMJENIMMLW-CQSZACIVSA-N -1 1 285.368 3.321 20 0 CGADMM CC[C@H](NCc1cccc(C(=O)[O-])c1)c1c(C)noc1C ZINC000263392797 598204893 /nfs/dbraw/zinc/20/48/93/598204893.db2.gz FSUDZFARBLPFMC-AWEZNQCLSA-N -1 1 288.347 3.231 20 0 CGADMM Cc1cccc([C@H](C)NCc2ccc(C(=O)[O-])o2)c1 ZINC000160206168 600749891 /nfs/dbraw/zinc/74/98/91/600749891.db2.gz DQTIKUJFRMBKJT-NSHDSACASA-N -1 1 259.305 3.137 20 0 CGADMM CCCC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC000825268639 607901423 /nfs/dbraw/zinc/90/14/23/607901423.db2.gz XCUKNIPGZHUTSE-GFCCVEGCSA-N -1 1 286.383 3.033 20 0 CGADMM CCCC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC000825268639 607901424 /nfs/dbraw/zinc/90/14/24/607901424.db2.gz XCUKNIPGZHUTSE-GFCCVEGCSA-N -1 1 286.383 3.033 20 0 CGADMM Cn1cccc1[C@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000833059593 601117517 /nfs/dbraw/zinc/11/75/17/601117517.db2.gz TXLZTZUXMHWXTN-OAHLLOKOSA-N -1 1 288.347 3.044 20 0 CGADMM C/C(=C\CN1CCC[C@@H]1c1ccc(F)c(F)c1)C(=O)[O-] ZINC000825741206 601167139 /nfs/dbraw/zinc/16/71/39/601167139.db2.gz JXJOSSREBZWNMN-OAUONFCTSA-N -1 1 281.302 3.133 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@H]1c1ccccc1 ZINC000830369616 601420353 /nfs/dbraw/zinc/42/03/53/601420353.db2.gz PVCNKHLADTURNM-AWEZNQCLSA-N -1 1 285.343 3.487 20 0 CGADMM C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000113395616 601499739 /nfs/dbraw/zinc/49/97/39/601499739.db2.gz FMDGHRLXTAYMJG-KCJUWKMLSA-N -1 1 288.174 3.146 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1ccc(Cl)c(F)c1 ZINC000899352970 620649866 /nfs/dbraw/zinc/64/98/66/620649866.db2.gz RSEVVFKHFOIYHS-UHFFFAOYSA-N -1 1 266.703 3.372 20 0 CGADMM O=C([O-])N[C@@H](CNCc1ccc(Cl)o1)c1ccccc1 ZINC000832142154 603176545 /nfs/dbraw/zinc/17/65/45/603176545.db2.gz ZOYXMYKJAOEEHE-LBPRGKRZSA-N -1 1 294.738 3.032 20 0 CGADMM CO[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000901533596 620916524 /nfs/dbraw/zinc/91/65/24/620916524.db2.gz BOYGVDCTOYFPSK-JTQLQIEISA-N -1 1 276.361 3.242 20 0 CGADMM CCCC[C@@H](CNC(=O)[O-])N[C@H](C)c1nc(C)sc1C ZINC000826806993 605513364 /nfs/dbraw/zinc/51/33/64/605513364.db2.gz SCILVRJLQLWDBD-SKDRFNHKSA-N -1 1 299.440 3.237 20 0 CGADMM O=C([O-])Nc1cccc(CSc2nnc(C3CC3)[nH]2)c1 ZINC000834269856 605639321 /nfs/dbraw/zinc/63/93/21/605639321.db2.gz UNOXNKYGUVBLTR-UHFFFAOYSA-N -1 1 290.348 3.064 20 0 CGADMM O=C([O-])Nc1cccc(CSc2n[nH]c(C3CC3)n2)c1 ZINC000834269856 605639327 /nfs/dbraw/zinc/63/93/27/605639327.db2.gz UNOXNKYGUVBLTR-UHFFFAOYSA-N -1 1 290.348 3.064 20 0 CGADMM CC[C@H](C)CSc1cccc(F)c1-c1nn[n-]n1 ZINC000820870257 606799071 /nfs/dbraw/zinc/79/90/71/606799071.db2.gz PVGYCJXCRVVADP-QMMMGPOBSA-N -1 1 266.345 3.144 20 0 CGADMM CCC(CC)Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000825113758 608180733 /nfs/dbraw/zinc/18/07/33/608180733.db2.gz FQNFUYUURBRWGN-UHFFFAOYSA-N -1 1 289.817 3.257 20 0 CGADMM CCC(CC)Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000825113758 608180735 /nfs/dbraw/zinc/18/07/35/608180735.db2.gz FQNFUYUURBRWGN-UHFFFAOYSA-N -1 1 289.817 3.257 20 0 CGADMM CCCCCSc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825276430 608412591 /nfs/dbraw/zinc/41/25/91/608412591.db2.gz XQGRPMCURWXZQW-UHFFFAOYSA-N -1 1 283.788 3.197 20 0 CGADMM CCCCCSc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825276430 608412593 /nfs/dbraw/zinc/41/25/93/608412593.db2.gz XQGRPMCURWXZQW-UHFFFAOYSA-N -1 1 283.788 3.197 20 0 CGADMM CN(CCCF)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000899812285 620728838 /nfs/dbraw/zinc/72/88/38/620728838.db2.gz ZSGJWDGBAKHCEL-UHFFFAOYSA-N -1 1 296.729 3.025 20 0 CGADMM O=S(=O)(Cc1ccc(Cl)s1)c1ccc([O-])cc1 ZINC000049489192 617611521 /nfs/dbraw/zinc/61/15/21/617611521.db2.gz VCHYHZJMGFTKAO-UHFFFAOYSA-N -1 1 288.777 3.081 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N(CC(F)(F)F)C1CC1 ZINC000042307071 620749854 /nfs/dbraw/zinc/74/98/54/620749854.db2.gz HRCFRFPVCRPWSK-UHFFFAOYSA-N -1 1 293.672 3.213 20 0 CGADMM CCc1ccccc1CNCc1cc(C)c(C(=O)[O-])o1 ZINC000234121754 617987215 /nfs/dbraw/zinc/98/72/15/617987215.db2.gz RFDUPJTUGQKBMY-UHFFFAOYSA-N -1 1 273.332 3.138 20 0 CGADMM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1ccc([O-])c(Cl)c1 ZINC000935021035 618719713 /nfs/dbraw/zinc/71/97/13/618719713.db2.gz OXRSTGPUXRSUOT-FZMZJTMJSA-N -1 1 295.766 3.332 20 0 CGADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])c(F)cc1F ZINC000188346972 619244874 /nfs/dbraw/zinc/24/48/74/619244874.db2.gz FNNBEBUSTLDYAV-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM Cc1ccc(N(CC2CC2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000894235798 619434649 /nfs/dbraw/zinc/43/46/49/619434649.db2.gz HGIXQARZTCDYSE-UHFFFAOYSA-N -1 1 297.354 3.463 20 0 CGADMM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1c([O-])cccc1Cl ZINC000049094905 619695610 /nfs/dbraw/zinc/69/56/10/619695610.db2.gz WFGAVYJOZMBMJD-WCQYABFASA-N -1 1 287.746 3.332 20 0 CGADMM Oc1ccc(F)c(C[N@@H+]2CC[C@@H](c3nccs3)C2)c1F ZINC000895583888 619854507 /nfs/dbraw/zinc/85/45/07/619854507.db2.gz ZWKZJNWADWXRSC-SECBINFHSA-N -1 1 296.342 3.116 20 0 CGADMM CCC(C)(C)c1nnc([N-][C@H](c2ncccn2)C2CC2)o1 ZINC000895777398 619884511 /nfs/dbraw/zinc/88/45/11/619884511.db2.gz KKUXJYYUSOQMHR-NSHDSACASA-N -1 1 287.367 3.110 20 0 CGADMM CC(C)c1noc([N-][C@@H](c2ccccn2)C2CC2)n1 ZINC000895793323 619886327 /nfs/dbraw/zinc/88/63/27/619886327.db2.gz KYUNXMVMVKSTHU-GFCCVEGCSA-N -1 1 258.325 3.151 20 0 CGADMM CC(C)[C@H](CC(=O)[N-]OCc1ccccn1)c1ccccc1 ZINC000909529183 619895478 /nfs/dbraw/zinc/89/54/78/619895478.db2.gz CNWVVDRNXRZWNA-KRWDZBQOSA-N -1 1 298.386 3.459 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@H](C2CC2)C1 ZINC000897266512 620174799 /nfs/dbraw/zinc/17/47/99/620174799.db2.gz KYRAYENFKMJBOC-ZDUSSCGKSA-N -1 1 297.354 3.123 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)c(F)c1 ZINC000263475027 620321525 /nfs/dbraw/zinc/32/15/25/620321525.db2.gz FEXLHMOASCZJDH-GXSJLCMTSA-N -1 1 285.746 3.164 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(Cl)nc1 ZINC000067738946 620376749 /nfs/dbraw/zinc/37/67/49/620376749.db2.gz SHVDNXCECGVEBB-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(C2CC2)CC1 ZINC000901162372 620838883 /nfs/dbraw/zinc/83/88/83/620838883.db2.gz KCAJYSSEOWUTDJ-UHFFFAOYSA-N -1 1 251.713 3.174 20 0 CGADMM CCOc1ccccc1CNCc1ccc(CC(=O)[O-])cc1 ZINC000901538931 620919849 /nfs/dbraw/zinc/91/98/49/620919849.db2.gz CSAXQFSVJVXHNY-UHFFFAOYSA-N -1 1 299.370 3.002 20 0 CGADMM CCCCC[C@@H](NCc1ccc(SC)o1)C(=O)[O-] ZINC000901727037 621000237 /nfs/dbraw/zinc/00/02/37/621000237.db2.gz QPJAHIIYISRRLR-LLVKDONJSA-N -1 1 271.382 3.125 20 0 CGADMM Cc1cc(CNCc2cc(Cl)cs2)oc1C(=O)[O-] ZINC000901942982 621072799 /nfs/dbraw/zinc/07/27/99/621072799.db2.gz QZVZVZMJCZJOQL-UHFFFAOYSA-N -1 1 285.752 3.291 20 0 CGADMM CCCc1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC000901955219 621079755 /nfs/dbraw/zinc/07/97/55/621079755.db2.gz XLNCSNXLRCEOIK-UHFFFAOYSA-N -1 1 273.332 3.220 20 0 CGADMM CCc1cccc2cc(CN3CCCC[C@@H]3C(=O)[O-])oc21 ZINC000901969198 621082645 /nfs/dbraw/zinc/08/26/45/621082645.db2.gz WNXBGHZNSWPMQC-OAHLLOKOSA-N -1 1 287.359 3.434 20 0 CGADMM CCCc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)s1 ZINC000902045999 621115820 /nfs/dbraw/zinc/11/58/20/621115820.db2.gz ZLSCYJKWEZWHGD-UHFFFAOYSA-N -1 1 267.394 3.140 20 0 CGADMM Cc1cc(CN[C@H]2CCc3ccc(C)cc32)oc1C(=O)[O-] ZINC000902230189 621203378 /nfs/dbraw/zinc/20/33/78/621203378.db2.gz FSOIHCMKRVGOMR-HNNXBMFYSA-N -1 1 285.343 3.372 20 0 CGADMM Cc1cccc(C(C)(C)NCc2cccc(C(=O)[O-])n2)c1 ZINC000902285812 621227415 /nfs/dbraw/zinc/22/74/15/621227415.db2.gz HWVBWMADYMPYSJ-UHFFFAOYSA-N -1 1 284.359 3.113 20 0 CGADMM O=C([O-])c1cc(CNC2(c3ccc(F)cc3)CC2)cs1 ZINC000902268320 621233445 /nfs/dbraw/zinc/23/34/45/621233445.db2.gz AVURGMMEQADNSD-UHFFFAOYSA-N -1 1 291.347 3.364 20 0 CGADMM Cc1ncc([C@H](C)NCc2csc(C(=O)[O-])c2)s1 ZINC000902382028 621298148 /nfs/dbraw/zinc/29/81/48/621298148.db2.gz PVDNGCHRZDWYNG-ZETCQYMHSA-N -1 1 282.390 3.062 20 0 CGADMM O=C([O-])c1ccc(CN2CC(CC3CC3)C2)cc1Cl ZINC000902463873 621337481 /nfs/dbraw/zinc/33/74/81/621337481.db2.gz VMARIQNAKWGRLP-UHFFFAOYSA-N -1 1 279.767 3.270 20 0 CGADMM O=C([O-])c1cc(CN2CC[C@@H]2c2ccccc2)cs1 ZINC000902512851 621351854 /nfs/dbraw/zinc/35/18/54/621351854.db2.gz POBKAPGSBGEQBI-CYBMUJFWSA-N -1 1 273.357 3.393 20 0 CGADMM C[C@@H]1CCCN1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902529511 621363882 /nfs/dbraw/zinc/36/38/82/621363882.db2.gz JSQLXZCLDCRGAU-SECBINFHSA-N -1 1 298.180 3.132 20 0 CGADMM C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc(C(=O)[O-])s1 ZINC000903688186 621785893 /nfs/dbraw/zinc/78/58/93/621785893.db2.gz SWZYWCHWHKIFLT-YMTOWFKASA-N -1 1 289.356 3.058 20 0 CGADMM CN(Cc1cc(C(=O)[O-])ccc1Br)C1CCC1 ZINC000903892253 621822933 /nfs/dbraw/zinc/82/29/33/621822933.db2.gz ZICXJVUHTPDUJD-UHFFFAOYSA-N -1 1 298.180 3.132 20 0 CGADMM CCc1ncc(CN[C@H](CC(=O)[O-])c2ccsc2)s1 ZINC000903989244 621847523 /nfs/dbraw/zinc/84/75/23/621847523.db2.gz VEDAINXOMRGZTF-LLVKDONJSA-N -1 1 296.417 3.073 20 0 CGADMM Cc1csc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)n1 ZINC000904045891 621859029 /nfs/dbraw/zinc/85/90/29/621859029.db2.gz QTHKEFRHFYLCDI-CYBMUJFWSA-N -1 1 290.388 3.066 20 0 CGADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2ncc(C(C)C)s2)C1 ZINC000904401474 621918398 /nfs/dbraw/zinc/91/83/98/621918398.db2.gz PIXCJGAAVNXSHN-OAHLLOKOSA-N -1 1 296.436 3.343 20 0 CGADMM CC(C)Cc1ccccc1CNCc1ccc(C(=O)[O-])cn1 ZINC000905725952 622101197 /nfs/dbraw/zinc/10/11/97/622101197.db2.gz AOFNRNHIOMVRJX-UHFFFAOYSA-N -1 1 298.386 3.268 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(C)c(F)c1 ZINC000905751965 622105199 /nfs/dbraw/zinc/10/51/99/622105199.db2.gz NMWSORXDUZKMIQ-UHFFFAOYSA-N -1 1 277.295 3.024 20 0 CGADMM CC(C)(CC(=O)Nc1n[nH]c2cc(O)ccc21)CC(F)F ZINC000908336919 622343104 /nfs/dbraw/zinc/34/31/04/622343104.db2.gz YVYAOAAEFLOVEQ-UHFFFAOYSA-N -1 1 297.305 3.279 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)[C@H]1C[C@H]2C[C@H]2C1 ZINC000908709209 622369259 /nfs/dbraw/zinc/36/92/59/622369259.db2.gz BZPKFWNGYONTOU-BRPSZJMVSA-N -1 1 296.164 3.139 20 0 CGADMM CCC1(C(=O)Nc2cccc([O-])c2Br)CC1 ZINC000908710195 622369312 /nfs/dbraw/zinc/36/93/12/622369312.db2.gz ZLUYVNOPPPWNFJ-UHFFFAOYSA-N -1 1 284.153 3.283 20 0 CGADMM CC[C@H]1C[C@@H](CC(=O)Nc2cc([O-])c(F)cc2F)CCO1 ZINC000909985785 622441189 /nfs/dbraw/zinc/44/11/89/622441189.db2.gz PJHYSXFSWBSJAA-UWVGGRQHSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909985679 622442151 /nfs/dbraw/zinc/44/21/51/622442151.db2.gz OLDIMKHXOMAHRL-DTWKUNHWSA-N -1 1 269.291 3.435 20 0 CGADMM CC[C@H]1CCC[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987166 622442534 /nfs/dbraw/zinc/44/25/34/622442534.db2.gz KHAQWZOPBSAVQD-IUCAKERBSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@H]1CC=C(C(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC000909987736 622444888 /nfs/dbraw/zinc/44/48/88/622444888.db2.gz DYEWSFWTQGKQSC-QMMMGPOBSA-N -1 1 267.275 3.355 20 0 CGADMM CCCC1(C(=O)Nc2cc(F)cc(F)c2[O-])CC1 ZINC000910982200 622513117 /nfs/dbraw/zinc/51/31/17/622513117.db2.gz MCBQMFXPFPLMTQ-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM COC1CCC(CC(=O)Nc2cc(F)cc(F)c2[O-])CC1 ZINC000910984223 622513651 /nfs/dbraw/zinc/51/36/51/622513651.db2.gz UKOIEJIFVOOLER-UHFFFAOYSA-N -1 1 299.317 3.204 20 0 CGADMM C/C(=C(/F)C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000913801547 623587530 /nfs/dbraw/zinc/58/75/30/623587530.db2.gz XMPFRCIEOGUANP-JYRVWZFOSA-N -1 1 283.730 3.315 20 0 CGADMM CCCC[C@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825866 623829604 /nfs/dbraw/zinc/82/96/04/623829604.db2.gz NZRFCXQMSLGXKC-JTQLQIEISA-N -1 1 269.772 3.488 20 0 CGADMM Cc1ccc(-c2cc(C(=O)Oc3ccccc3)[nH]n2)o1 ZINC000916852010 624220377 /nfs/dbraw/zinc/22/03/77/624220377.db2.gz BFNIZRJOVSVWRA-UHFFFAOYSA-N -1 1 268.272 3.197 20 0 CGADMM Cc1[n-]n(-c2ccc(Cl)cc2Cl)c(=O)c1F ZINC000917347927 624261855 /nfs/dbraw/zinc/26/18/55/624261855.db2.gz OFEDWHOPZRVMSP-SECBINFHSA-N -1 1 261.083 3.054 20 0 CGADMM CC(C)(C)[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000756354111 625897977 /nfs/dbraw/zinc/89/79/77/625897977.db2.gz WYEJOZUGRQMINH-ZDUSSCGKSA-N -1 1 261.321 3.022 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(C)=C(C)C)c1 ZINC000750939806 626370249 /nfs/dbraw/zinc/37/02/49/626370249.db2.gz IGIULYQFKVQHJN-UHFFFAOYSA-N -1 1 276.332 3.037 20 0 CGADMM CSc1cc(O)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000754483040 626573304 /nfs/dbraw/zinc/57/33/04/626573304.db2.gz MDADGXPSNHDMHE-UHFFFAOYSA-N -1 1 293.319 3.211 20 0 CGADMM Cc1ccc(-c2cc(C(=O)OCC3CC(F)(F)C3)[nH]n2)o1 ZINC000835493011 634526353 /nfs/dbraw/zinc/52/63/53/634526353.db2.gz OFSZEKICKVLGAC-UHFFFAOYSA-N -1 1 296.273 3.180 20 0 CGADMM O=C([N-]c1nc(C2CC2)no1)c1cc(F)c(Cl)cc1F ZINC000764283651 627202869 /nfs/dbraw/zinc/20/28/69/627202869.db2.gz VHZWEDZBJPYOPS-UHFFFAOYSA-N -1 1 299.664 3.131 20 0 CGADMM CCCCC[C@@H](C)CC(=O)[N-]OCC(F)(F)F ZINC000766767216 627359545 /nfs/dbraw/zinc/35/95/45/627359545.db2.gz FORBYLFBXAGSFK-SECBINFHSA-N -1 1 255.280 3.203 20 0 CGADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)CC[C@@H]1C ZINC000767152986 627385939 /nfs/dbraw/zinc/38/59/39/627385939.db2.gz JMDDEKHIDDMETM-UWVGGRQHSA-N -1 1 267.756 3.164 20 0 CGADMM CCC1(CC)CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000874630011 634576611 /nfs/dbraw/zinc/57/66/11/634576611.db2.gz MGYUSDMAHHPVFP-UHFFFAOYSA-N -1 1 265.328 3.326 20 0 CGADMM CCC(F)(F)C(=O)[N-][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000874641469 634580228 /nfs/dbraw/zinc/58/02/28/634580228.db2.gz FXCXSTGHDZTFPT-SSDOTTSWSA-N -1 1 296.239 3.323 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H](F)c1ccccc1 ZINC000769613602 627569848 /nfs/dbraw/zinc/56/98/48/627569848.db2.gz PTXFABPKKLPQHR-GFCCVEGCSA-N -1 1 263.243 3.181 20 0 CGADMM O=C(OCc1ccc(F)c(F)c1)c1ccc([O-])cc1F ZINC000773571172 627897854 /nfs/dbraw/zinc/89/78/54/627897854.db2.gz QHQFAVBWJOANQZ-UHFFFAOYSA-N -1 1 282.217 3.167 20 0 CGADMM O=C(NCc1ccc(Cl)cn1)c1c([O-])cccc1Cl ZINC000775832821 628140298 /nfs/dbraw/zinc/14/02/98/628140298.db2.gz ZTGYZIMZXOQWMV-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM CC1(NC(=O)c2cc3ccccc3cc2[O-])CC(F)(F)C1 ZINC000874856940 634636718 /nfs/dbraw/zinc/63/67/18/634636718.db2.gz PDAJKWAOGICSPD-UHFFFAOYSA-N -1 1 291.297 3.463 20 0 CGADMM Cc1nc(SCc2cccnc2Cl)[n-]c(=O)c1C ZINC000776865174 628237251 /nfs/dbraw/zinc/23/72/51/628237251.db2.gz ZIFRBAMKTWMSMG-UHFFFAOYSA-N -1 1 281.768 3.140 20 0 CGADMM Cc1nc(SCc2cccc(Cl)n2)[n-]c(=O)c1C ZINC000776869882 628237993 /nfs/dbraw/zinc/23/79/93/628237993.db2.gz LNKBDSDGFCXQKH-UHFFFAOYSA-N -1 1 281.768 3.140 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cccc(-c3cccnc3)c2)S1 ZINC000874927749 634652836 /nfs/dbraw/zinc/65/28/36/634652836.db2.gz GXZYUNLHWLQUDS-JYRVWZFOSA-N -1 1 282.324 3.073 20 0 CGADMM O=C([N-]c1cc(F)c(F)cc1F)c1nc(Cl)cs1 ZINC000788745535 629078241 /nfs/dbraw/zinc/07/82/41/629078241.db2.gz GTYIHDTZOVYMOC-UHFFFAOYSA-N -1 1 292.669 3.466 20 0 CGADMM O=C(CC1=CCCCC1)Nc1nc(Cl)ccc1[O-] ZINC000789932383 629174852 /nfs/dbraw/zinc/17/48/52/629174852.db2.gz WIAMFBAAWZEJRY-UHFFFAOYSA-N -1 1 266.728 3.270 20 0 CGADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790048513 629179660 /nfs/dbraw/zinc/17/96/60/629179660.db2.gz RQWRSHLRXZVXGR-DTWKUNHWSA-N -1 1 268.744 3.205 20 0 CGADMM Cc1ccc([C@@H](C)C(=O)Nc2nc(Cl)ccc2[O-])o1 ZINC000790052514 629180273 /nfs/dbraw/zinc/18/02/73/629180273.db2.gz XUVXXUVZILRAFZ-MRVPVSSYSA-N -1 1 280.711 3.084 20 0 CGADMM Cc1ccc(N(C)C(=O)c2cncc([O-])c2)cc1Cl ZINC000791363854 629269902 /nfs/dbraw/zinc/26/99/02/629269902.db2.gz OPKSVMHFEVGZIZ-UHFFFAOYSA-N -1 1 276.723 3.026 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C12CC(C(F)(F)F)(C1)C2 ZINC000863009568 629460425 /nfs/dbraw/zinc/46/04/25/629460425.db2.gz HIQSRSMKLAOXKF-UHFFFAOYSA-N -1 1 289.228 3.202 20 0 CGADMM Cc1cnc(SCCC(F)=C(F)F)[n-]c1=O ZINC000863340001 629535893 /nfs/dbraw/zinc/53/58/93/629535893.db2.gz HSCUEUIGSYDYGP-UHFFFAOYSA-N -1 1 250.245 3.050 20 0 CGADMM CC(C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)=C1CCC1 ZINC000863476949 629585822 /nfs/dbraw/zinc/58/58/22/629585822.db2.gz DGLVMKQZHKCYLK-UHFFFAOYSA-N -1 1 283.331 3.017 20 0 CGADMM C[C@H]1CCC[C@H](C2CN(c3cc(Cl)[n-]c(=O)n3)C2)C1 ZINC000864091700 629767616 /nfs/dbraw/zinc/76/76/16/629767616.db2.gz HMJUGIMNCQXCQV-UWVGGRQHSA-N -1 1 281.787 3.098 20 0 CGADMM CC(C)c1occc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000797758369 629979846 /nfs/dbraw/zinc/97/98/46/629979846.db2.gz NMFBTGXSZJYXKB-UHFFFAOYSA-N -1 1 280.711 3.409 20 0 CGADMM CC(C)CCCCCCNC(=O)C(=O)c1ccc([O-])cc1 ZINC000798157149 630028098 /nfs/dbraw/zinc/02/80/98/630028098.db2.gz VNOQZGBYZSKKNB-UHFFFAOYSA-N -1 1 291.391 3.298 20 0 CGADMM CCC1(CC)CN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876396879 634826598 /nfs/dbraw/zinc/82/65/98/634826598.db2.gz QXXOFOQHGMVQDR-UHFFFAOYSA-N -1 1 296.798 3.377 20 0 CGADMM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Cl)c2)C(C)(C)C1 ZINC000876393280 634826638 /nfs/dbraw/zinc/82/66/38/634826638.db2.gz GKXVESUOXROVPU-JTQLQIEISA-N -1 1 296.798 3.376 20 0 CGADMM O=c1cc(C(F)(F)F)nc(SCOC2CCCC2)[n-]1 ZINC000808023108 630619227 /nfs/dbraw/zinc/61/92/27/630619227.db2.gz XIWPWZPNFAMHGB-UHFFFAOYSA-N -1 1 294.298 3.210 20 0 CGADMM CCn1cc(OC(=O)c2cc3cc(Cl)sc3[n-]2)cn1 ZINC000810861215 630966907 /nfs/dbraw/zinc/96/69/07/630966907.db2.gz NQVRYTOKRMXBLQ-UHFFFAOYSA-N -1 1 295.751 3.318 20 0 CGADMM O=C(C=C1CCSCC1)Nc1ccc([O-])c(F)c1F ZINC000837086983 634851819 /nfs/dbraw/zinc/85/18/19/634851819.db2.gz XJKPZTPFYFWPPB-UHFFFAOYSA-N -1 1 285.315 3.062 20 0 CGADMM Cc1cnccc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000814805031 631643878 /nfs/dbraw/zinc/64/38/78/631643878.db2.gz OQUKYBMLADNNQZ-UHFFFAOYSA-N -1 1 299.351 3.494 20 0 CGADMM [O-]c1cccc(CNc2ccc(OCCO)cc2)c1Cl ZINC000815130523 631725381 /nfs/dbraw/zinc/72/53/81/631725381.db2.gz KVELMMXIKHWCAR-UHFFFAOYSA-N -1 1 293.750 3.029 20 0 CGADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000821971328 632850755 /nfs/dbraw/zinc/85/07/55/632850755.db2.gz XDZIZLGZRFKWIZ-KYXWUPHJSA-N -1 1 281.302 3.291 20 0 CGADMM CC(C)(NC(=O)c1c([O-])cccc1Cl)[C@H]1CCCCO1 ZINC000871170928 633717298 /nfs/dbraw/zinc/71/72/98/633717298.db2.gz VQGMFEWIOBOKKK-GFCCVEGCSA-N -1 1 297.782 3.123 20 0 CGADMM CC[C@@H](C)n1nc([N-]S(=O)(=O)C2=CCCCC2)cc1C ZINC000829902606 633808287 /nfs/dbraw/zinc/80/82/87/633808287.db2.gz LHZXZXOKTYNDSV-LLVKDONJSA-N -1 1 297.424 3.362 20 0 CGADMM Cc1[n-]n(-c2ccc(Cl)cc2C)c(=O)c1C1CC1 ZINC000871945042 633922867 /nfs/dbraw/zinc/92/28/67/633922867.db2.gz VCZFELHTPOOXPS-ZDUSSCGKSA-N -1 1 262.740 3.397 20 0 CGADMM CO[C@H]1CC[C@@H](C)N(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000872160746 634071221 /nfs/dbraw/zinc/07/12/21/634071221.db2.gz JDULYRYBMRMUKD-MFKMUULPSA-N -1 1 297.782 3.038 20 0 CGADMM O=C(NCC1=CCCCC1)c1c([O-])cccc1Cl ZINC000833344013 634117206 /nfs/dbraw/zinc/11/72/06/634117206.db2.gz YITPUYHFKWRRKA-UHFFFAOYSA-N -1 1 265.740 3.276 20 0 CGADMM CCc1cc(C)nc(NCc2ccc([O-])c(Cl)c2)n1 ZINC000872726654 634197358 /nfs/dbraw/zinc/19/73/58/634197358.db2.gz UDWFWTXCCBPOMH-UHFFFAOYSA-N -1 1 277.755 3.319 20 0 CGADMM CC(C)(C)CCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834829122 634250564 /nfs/dbraw/zinc/25/05/64/634250564.db2.gz LEAZSSIPUSVEQN-UHFFFAOYSA-N -1 1 269.772 3.488 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H]2CCCC[C@@H]21 ZINC000843938032 635798903 /nfs/dbraw/zinc/79/89/03/635798903.db2.gz CCXKENLUWSLYTR-JQWIXIFHSA-N -1 1 279.767 3.450 20 0 CGADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N(C)CCC(C)(C)C ZINC000844012120 635806564 /nfs/dbraw/zinc/80/65/64/635806564.db2.gz FBGVQIXMXSAFND-UHFFFAOYSA-N -1 1 293.411 3.122 20 0 CGADMM CC(C)c1ccc2c(c1)[C@@H]([N-]C(=O)C(F)(F)F)CC2 ZINC000187249332 636524762 /nfs/dbraw/zinc/52/47/62/636524762.db2.gz FUGALEXZGNOSKD-LBPRGKRZSA-N -1 1 271.282 3.476 20 0 CGADMM O=C([O-])CC[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000086810127 636785769 /nfs/dbraw/zinc/78/57/69/636785769.db2.gz FZEDLBDITJRGEC-LLVKDONJSA-N -1 1 283.318 3.042 20 0 CGADMM Cc1cnc(SCCC(Cl)(Cl)Cl)[n-]c1=O ZINC000849903462 636904893 /nfs/dbraw/zinc/90/48/93/636904893.db2.gz UMMVFROUIRMOIV-UHFFFAOYSA-N -1 1 287.599 3.343 20 0 CGADMM CC[C@H](C)CON=c1cc(Cl)[n-]c([C@@H]2CCCO2)n1 ZINC000884513761 637053676 /nfs/dbraw/zinc/05/36/76/637053676.db2.gz QWTFMEFARJDJID-UWVGGRQHSA-N -1 1 285.775 3.371 20 0 CGADMM CC1=C(C(=O)Nc2cc(F)c([O-])cc2Cl)CCCO1 ZINC000885676353 637283948 /nfs/dbraw/zinc/28/39/48/637283948.db2.gz OAEGEDCMOUXKOK-UHFFFAOYSA-N -1 1 285.702 3.208 20 0 CGADMM C[C@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)CC1(F)F ZINC000885680100 637284659 /nfs/dbraw/zinc/28/46/59/637284659.db2.gz LNXUJTAYPSTDIF-SNVBAGLBSA-N -1 1 279.645 3.169 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1CC2(CC2)C1 ZINC000885680280 637285519 /nfs/dbraw/zinc/28/55/19/637285519.db2.gz OJTQJKOBTXCGRB-UHFFFAOYSA-N -1 1 269.703 3.313 20 0 CGADMM O=C(Nc1ccncc1[O-])c1ccc(SC(F)F)cc1 ZINC000109889507 637343167 /nfs/dbraw/zinc/34/31/67/637343167.db2.gz MSUWWYSZCBWPJY-UHFFFAOYSA-N -1 1 296.298 3.354 20 0 CGADMM O=C(NCC1CCC=CCC1)c1ccc([O-])c(F)c1 ZINC000886017449 637366089 /nfs/dbraw/zinc/36/60/89/637366089.db2.gz BFWCWLPBHURVHC-UHFFFAOYSA-N -1 1 263.312 3.008 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H]1C1CCCC1 ZINC000889396408 638018820 /nfs/dbraw/zinc/01/88/20/638018820.db2.gz GGPOHDLGFBBXFY-ZDUSSCGKSA-N -1 1 279.767 3.450 20 0 CGADMM O=c1nc(N2CCC[C@@H]2C2CCCCC2)cc(Cl)[n-]1 ZINC000858355057 638691014 /nfs/dbraw/zinc/69/10/14/638691014.db2.gz MZJQEXZVDJYANA-LLVKDONJSA-N -1 1 281.787 3.385 20 0 CGADMM C[C@H]1CCCC[C@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858365045 638694716 /nfs/dbraw/zinc/69/47/16/638694716.db2.gz YAYLVSNBRWGVDV-IUCAKERBSA-N -1 1 255.749 3.074 20 0 CGADMM C[C@H]1CCC[C@@H](CCNc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858413760 638707499 /nfs/dbraw/zinc/70/74/99/638707499.db2.gz VYAPVUHPMAAMRF-UWVGGRQHSA-N -1 1 269.776 3.464 20 0 CGADMM C[C@H](CNc1cc(Cl)[n-]c(=O)n1)Cc1cccs1 ZINC000858423724 638712376 /nfs/dbraw/zinc/71/23/76/638712376.db2.gz DDZDTZPHIIYAJF-QMMMGPOBSA-N -1 1 283.784 3.188 20 0 CGADMM CC1(CNc2cc(Cl)[n-]c(=O)n2)CCCCC1 ZINC000858442885 638719426 /nfs/dbraw/zinc/71/94/26/638719426.db2.gz BSPNMIPGKHCESI-UHFFFAOYSA-N -1 1 255.749 3.218 20 0 CGADMM CC[C@@H](C)[C@@H]1CCCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858467941 638726695 /nfs/dbraw/zinc/72/66/95/638726695.db2.gz YTQWJCRRUTVDSL-ZJUUUORDSA-N -1 1 269.776 3.241 20 0 CGADMM O=c1nc(NC[C@@H]2C[C@H]2c2ccccc2)cc(Cl)[n-]1 ZINC000858556282 638761218 /nfs/dbraw/zinc/76/12/18/638761218.db2.gz YPYHFUJSEOYPJF-QWRGUYRKSA-N -1 1 275.739 3.051 20 0 CGADMM CC[C@@H]1CCCC[C@@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858558609 638761926 /nfs/dbraw/zinc/76/19/26/638761926.db2.gz WEWJNJBMIKXWFK-NXEZZACHSA-N -1 1 269.776 3.464 20 0 CGADMM COc1ccc(C(=O)Nc2c(C)noc2C(C)C)c([O-])c1 ZINC000928788412 638892276 /nfs/dbraw/zinc/89/22/76/638892276.db2.gz DOHOFECLYCCUAD-UHFFFAOYSA-N -1 1 290.319 3.073 20 0 CGADMM O=C(C[C@H]1CCCC1(F)F)Nc1ccc(F)cc1[O-] ZINC000935100637 639748246 /nfs/dbraw/zinc/74/82/46/639748246.db2.gz QQEAWSMDYPYYNS-MRVPVSSYSA-N -1 1 273.254 3.295 20 0 CGADMM Cc1cccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1C ZINC000078776025 640340281 /nfs/dbraw/zinc/34/02/81/640340281.db2.gz LZSYWNJBKRICLF-UHFFFAOYSA-N -1 1 299.374 3.071 20 0 CGADMM C/C(=C/C(=O)NCc1n[n-]c(=S)n1C(C)C)C(C)(C)C ZINC000080173336 640453262 /nfs/dbraw/zinc/45/32/62/640453262.db2.gz RTFZUDVRGGIVAP-YFHOEESVSA-N -1 1 296.440 3.130 20 0 CGADMM CC(C)(C)OC(=O)CCc1c(F)ccc([O-])c1Cl ZINC001250331164 805577393 /nfs/dbraw/zinc/57/73/93/805577393.db2.gz RFPWHUINWMETNF-UHFFFAOYSA-N -1 1 274.719 3.459 20 0 CGADMM CCOC(=O)c1nc2c(ccc(Cl)c2Cl)[n-]1 ZINC001250550340 805687972 /nfs/dbraw/zinc/68/79/72/805687972.db2.gz UYMYEGLONRGEAO-UHFFFAOYSA-N -1 1 259.092 3.046 20 0 CGADMM Cc1cc(F)c(CNC(=O)c2ccc([O-])c(F)c2)c(F)c1 ZINC001156669498 805723344 /nfs/dbraw/zinc/72/33/44/805723344.db2.gz CMIAQSAJAQCGCC-UHFFFAOYSA-N -1 1 295.260 3.048 20 0 CGADMM O=C(C=C1CCCCC1)NCCc1c(F)cc([O-])cc1F ZINC001156716159 805727983 /nfs/dbraw/zinc/72/79/83/805727983.db2.gz RGMMDQVQYYIUGI-UHFFFAOYSA-N -1 1 295.329 3.220 20 0 CGADMM COc1cc2[nH]c(-c3ccc([O-])c(F)c3F)nc2cc1F ZINC001250913082 805796816 /nfs/dbraw/zinc/79/68/16/805796816.db2.gz RHVGARBKAIXJDW-UHFFFAOYSA-N -1 1 294.232 3.361 20 0 CGADMM COc1cc2nc(-c3ccc([O-])c(F)c3F)[nH]c2cc1F ZINC001250913082 805796824 /nfs/dbraw/zinc/79/68/24/805796824.db2.gz RHVGARBKAIXJDW-UHFFFAOYSA-N -1 1 294.232 3.361 20 0 CGADMM Cn1c2cc(F)ccc2nc1-c1ccc([O-])c(F)c1F ZINC001250914465 805797585 /nfs/dbraw/zinc/79/75/85/805797585.db2.gz AVKGUNVXCUPUOU-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM [O-]c1cc(F)c(-c2nc3cc(F)c(F)cc3[nH]2)c(F)c1 ZINC001251007336 805825613 /nfs/dbraw/zinc/82/56/13/805825613.db2.gz HMFLANYVQVZGKV-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM Cc1c2[nH]c(-c3cc(C(=O)[O-])ccc3O)nc2ccc1F ZINC001251022339 805830692 /nfs/dbraw/zinc/83/06/92/805830692.db2.gz BEZPZOUUNSOJRL-UHFFFAOYSA-N -1 1 286.262 3.081 20 0 CGADMM [O-]c1c(F)c(F)ccc1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001251259426 805874443 /nfs/dbraw/zinc/87/44/43/805874443.db2.gz WHGKZXPKPXSXAT-UHFFFAOYSA-N -1 1 288.253 3.149 20 0 CGADMM CC1(C)C(C)(C)C1(C)NC(=O)c1cc(F)ccc1[O-] ZINC001158417692 805953242 /nfs/dbraw/zinc/95/32/42/805953242.db2.gz NIBXEDSZPQXBEY-UHFFFAOYSA-N -1 1 265.328 3.086 20 0 CGADMM [O-]c1cnc(Cl)c(-c2nnc(-c3ccccc3)o2)c1 ZINC001253120766 806176014 /nfs/dbraw/zinc/17/60/14/806176014.db2.gz STZLKSBFXXHRAH-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM O=C([O-])c1sccc1Nc1ccc2nc[nH]c2c1 ZINC001160222909 806237462 /nfs/dbraw/zinc/23/74/62/806237462.db2.gz AVCVJISBOVFMCG-UHFFFAOYSA-N -1 1 259.290 3.066 20 0 CGADMM FC(F)(F)c1c[n-]c(-c2nnc(Cc3ccccc3)o2)n1 ZINC001253556037 806254372 /nfs/dbraw/zinc/25/43/72/806254372.db2.gz KJXXORHLJKICMM-UHFFFAOYSA-N -1 1 294.236 3.069 20 0 CGADMM FC(F)(F)c1cnc(-c2nnc(Cc3ccccc3)o2)[n-]1 ZINC001253556037 806254376 /nfs/dbraw/zinc/25/43/76/806254376.db2.gz KJXXORHLJKICMM-UHFFFAOYSA-N -1 1 294.236 3.069 20 0 CGADMM [O-]c1ccc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)nn1 ZINC001254617726 806461531 /nfs/dbraw/zinc/46/15/31/806461531.db2.gz KQABXACDIJCHIL-WDEREUQCSA-N -1 1 280.287 3.064 20 0 CGADMM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc([O-])cc1F ZINC000162548331 799081089 /nfs/dbraw/zinc/08/10/89/799081089.db2.gz OGDOLZUJEVPQAK-WDEREUQCSA-N -1 1 265.328 3.087 20 0 CGADMM O=C(NCC1CCCCC1)Nc1cc(F)c([O-])c(F)c1 ZINC000168836743 799086562 /nfs/dbraw/zinc/08/65/62/799086562.db2.gz VKDWSUKVGFMNPL-UHFFFAOYSA-N -1 1 284.306 3.372 20 0 CGADMM COc1ccccc1[C@H](C)NCc1csc(C(=O)[O-])c1 ZINC000689094671 799760445 /nfs/dbraw/zinc/76/04/45/799760445.db2.gz SXTFEVXFNNLIQR-JTQLQIEISA-N -1 1 291.372 3.306 20 0 CGADMM Cc1oc(CN2CC[C@@](C)(C(F)(F)F)C2)cc1C(=O)[O-] ZINC000708928282 799999855 /nfs/dbraw/zinc/99/98/55/799999855.db2.gz QVNJXAREKQXRCG-GFCCVEGCSA-N -1 1 291.269 3.061 20 0 CGADMM CC(C)Cc1nnc(-c2ccc(Br)c([O-])c2)o1 ZINC001256502742 806907040 /nfs/dbraw/zinc/90/70/40/806907040.db2.gz LOSVCGUSSZYQPA-UHFFFAOYSA-N -1 1 297.152 3.403 20 0 CGADMM O=C(Nc1cc(C(F)F)ccc1F)c1ccc([O-])cn1 ZINC001165233187 806978645 /nfs/dbraw/zinc/97/86/45/806978645.db2.gz ZFOHQTZPSDETDX-UHFFFAOYSA-N -1 1 282.221 3.116 20 0 CGADMM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2ccncc2)cc1 ZINC001173884591 808740134 /nfs/dbraw/zinc/74/01/34/808740134.db2.gz LYUBWNOHJUVTCG-OAHLLOKOSA-N -1 1 284.359 3.461 20 0 CGADMM C[C@@H]1CCC(F)(F)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC001120740618 802770759 /nfs/dbraw/zinc/77/07/59/802770759.db2.gz DJFQMNPGWNGLQS-MRVPVSSYSA-N -1 1 289.709 3.305 20 0 CGADMM O=C([N-]c1nnc(C2CC2)s1)c1nc(C2CC2)cs1 ZINC001123825106 802973474 /nfs/dbraw/zinc/97/34/74/802973474.db2.gz ITQCZQMQHVVUSY-UHFFFAOYSA-N -1 1 292.389 3.002 20 0 CGADMM [O-]c1cccc(Cl)c1-c1cc2cncnc2cn1 ZINC001244030861 803150914 /nfs/dbraw/zinc/15/09/14/803150914.db2.gz KGQXVYGUFSSMGF-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM CC1(c2ccnc(-c3c([O-])cccc3Cl)c2)OCCO1 ZINC001244035764 803154015 /nfs/dbraw/zinc/15/40/15/803154015.db2.gz MNFLDBPWFGZIHB-UHFFFAOYSA-N -1 1 291.734 3.327 20 0 CGADMM Cc1cc(N)c(F)cc1-c1cc(F)c([O-])c(F)c1 ZINC001244095253 803182767 /nfs/dbraw/zinc/18/27/67/803182767.db2.gz ADZYPXCECNYDAN-UHFFFAOYSA-N -1 1 253.223 3.367 20 0 CGADMM COC(=O)CCc1ccccc1-c1cc(F)c([O-])c(F)c1 ZINC001244098051 803186525 /nfs/dbraw/zinc/18/65/25/803186525.db2.gz VEXOJCDCFDSWFR-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM CSc1nc(-c2cc(C)ccc2[O-])ncc1F ZINC001244402507 803350264 /nfs/dbraw/zinc/35/02/64/803350264.db2.gz JVFZBOIPYQBDQS-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM COc1cccc2cnc(-c3cc(C)ccc3[O-])nc21 ZINC001244402141 803350956 /nfs/dbraw/zinc/35/09/56/803350956.db2.gz DAMMHHQHCQKUKQ-UHFFFAOYSA-N -1 1 266.300 3.319 20 0 CGADMM Cc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1OC(C)C ZINC001244443237 803368923 /nfs/dbraw/zinc/36/89/23/803368923.db2.gz KJFQQMHWIBEOIA-UHFFFAOYSA-N -1 1 295.346 3.024 20 0 CGADMM Cc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1OC(C)C ZINC001244443237 803368928 /nfs/dbraw/zinc/36/89/28/803368928.db2.gz KJFQQMHWIBEOIA-UHFFFAOYSA-N -1 1 295.346 3.024 20 0 CGADMM COc1cccnc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244456472 803378864 /nfs/dbraw/zinc/37/88/64/803378864.db2.gz SUXXZZXACZKHLN-UHFFFAOYSA-N -1 1 285.221 3.361 20 0 CGADMM COC(=O)c1ccc(-c2cc(C)c([O-])c(Cl)c2)nc1 ZINC001244529600 803421992 /nfs/dbraw/zinc/42/19/92/803421992.db2.gz DNYWWNIXMIKKJF-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Cc1cc(-c2cc(C)c([O-])c(Cl)c2)c2ncnn2c1 ZINC001244536932 803423745 /nfs/dbraw/zinc/42/37/45/803423745.db2.gz BQQHKLQLTPTUPR-UHFFFAOYSA-N -1 1 273.723 3.372 20 0 CGADMM COC(=O)c1cc(C)cnc1-c1c(Cl)ccc([O-])c1F ZINC001244538320 803425537 /nfs/dbraw/zinc/42/55/37/803425537.db2.gz MFAWKKSVXDVMHK-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CCN(C)c1ccnc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244539192 803426552 /nfs/dbraw/zinc/42/65/52/803426552.db2.gz YPDXTFIIDWTPHM-UHFFFAOYSA-N -1 1 281.718 3.098 20 0 CGADMM CNc1ccc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244540842 803427718 /nfs/dbraw/zinc/42/77/18/803427718.db2.gz HAKNOEQPINLGOM-UHFFFAOYSA-N -1 1 252.676 3.288 20 0 CGADMM CC(C)Oc1cncc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244539990 803427955 /nfs/dbraw/zinc/42/79/55/803427955.db2.gz CYKSRFNRYCWNPX-UHFFFAOYSA-N -1 1 282.702 3.429 20 0 CGADMM [O-]c1ccc(Cl)c(-c2nccnc2OC(F)F)c1F ZINC001244539780 803428653 /nfs/dbraw/zinc/42/86/53/803428653.db2.gz HSPNMZHQXDUPII-UHFFFAOYSA-N -1 1 290.628 3.243 20 0 CGADMM Cc1cc(-c2c(F)c([O-])ccc2Cl)cnc1N ZINC001244541579 803429322 /nfs/dbraw/zinc/42/93/22/803429322.db2.gz CXTQXFVCTZMJFJ-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM O=c1cc(-c2c(Cl)ccc([O-])c2F)ccn1CC1CC1 ZINC001244543034 803429798 /nfs/dbraw/zinc/42/97/98/803429798.db2.gz QBQGBYAIBCKQHT-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM Cc1cn2cc(-c3c(Cl)ccc([O-])c3F)ncc2n1 ZINC001244541705 803429823 /nfs/dbraw/zinc/42/98/23/803429823.db2.gz RDQBSRZRHSKIJI-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM CC(=O)Nc1cc(-c2c(Cl)ccc([O-])c2F)ccn1 ZINC001244543096 803429854 /nfs/dbraw/zinc/42/98/54/803429854.db2.gz SVCVRVZEMYAJPS-UHFFFAOYSA-N -1 1 280.686 3.205 20 0 CGADMM O=C(NC1(c2ccccc2)CC1)c1ccc(Cl)cc1[O-] ZINC001136547309 803646556 /nfs/dbraw/zinc/64/65/56/803646556.db2.gz QEPIXOIRTAQZJJ-UHFFFAOYSA-N -1 1 287.746 3.465 20 0 CGADMM CC(C)CNC(=S)Nc1cccc(C(F)(F)F)c1[O-] ZINC001245258512 803681524 /nfs/dbraw/zinc/68/15/24/803681524.db2.gz VOXBDFGCIFFHDU-UHFFFAOYSA-N -1 1 292.326 3.353 20 0 CGADMM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC001137192316 803695455 /nfs/dbraw/zinc/69/54/55/803695455.db2.gz ZWLNVOMLTNTFDN-ZWNOBZJWSA-N -1 1 279.355 3.476 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c([O-])c1 ZINC001137191683 803696117 /nfs/dbraw/zinc/69/61/17/803696117.db2.gz MYHKJQWVPDKZJM-VXGBXAGGSA-N -1 1 276.380 3.040 20 0 CGADMM CC(C)CC(C)(C)CNC(=O)c1ccc(F)c([O-])c1 ZINC001137202158 803696609 /nfs/dbraw/zinc/69/66/09/803696609.db2.gz ZQRXESRUVGLRLS-UHFFFAOYSA-N -1 1 267.344 3.333 20 0 CGADMM Cc1ccc(NC(=O)c2ccc([O-])cn2)cc1-c1ncco1 ZINC001137308533 803712389 /nfs/dbraw/zinc/71/23/89/803712389.db2.gz UHJPVFZVLRHODL-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM O=C([O-])c1ccc(-c2cccn3cncc23)c(Cl)c1 ZINC001245373590 803718617 /nfs/dbraw/zinc/71/86/17/803718617.db2.gz CSSSESCAKNKNNO-UHFFFAOYSA-N -1 1 272.691 3.353 20 0 CGADMM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc([O-])cn1 ZINC001138568014 803970989 /nfs/dbraw/zinc/97/09/89/803970989.db2.gz GOSOCCKJNFGDTL-UHFFFAOYSA-N -1 1 296.370 3.288 20 0 CGADMM COC(=O)c1cnc(-c2c(F)ccc([O-])c2Cl)cc1C ZINC001245826873 803981130 /nfs/dbraw/zinc/98/11/30/803981130.db2.gz HMENEFHHVSQBHC-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COC(=O)c1cc(C)c(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245832405 803986240 /nfs/dbraw/zinc/98/62/40/803986240.db2.gz XAOMMAOTWODORC-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CCCCc1cc(=O)n(C(=S)c2ccc(OC)cc2)[n-]1 ZINC001245925946 804054165 /nfs/dbraw/zinc/05/41/65/804054165.db2.gz BACOWLILYLOHIN-UHFFFAOYSA-N -1 1 290.388 3.164 20 0 CGADMM O=c1cc(CC2CCC2)[n-]n1-c1cc(F)cc(F)c1 ZINC001245936965 804067331 /nfs/dbraw/zinc/06/73/31/804067331.db2.gz MUEOQNZAAAEKKL-UHFFFAOYSA-N -1 1 264.275 3.199 20 0 CGADMM CCCCCc1cc(=O)n(-c2ccc(F)c(OC)c2)[n-]1 ZINC001245943238 804075854 /nfs/dbraw/zinc/07/58/54/804075854.db2.gz RQICMIZJVXDGAE-UHFFFAOYSA-N -1 1 278.327 3.458 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1cccc2ccc(O)cc21 ZINC001245953554 804088465 /nfs/dbraw/zinc/08/84/65/804088465.db2.gz QLRVAWGYIRKNPE-UHFFFAOYSA-N -1 1 280.327 3.389 20 0 CGADMM Cc1[nH]c(CN2CC3(C2)CCCCC3)c(C)c1C(=O)[O-] ZINC001140497036 804447721 /nfs/dbraw/zinc/44/77/21/804447721.db2.gz BSHWJWBRTOYPQO-UHFFFAOYSA-N -1 1 276.380 3.096 20 0 CGADMM C=Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC001256924865 807014158 /nfs/dbraw/zinc/01/41/58/807014158.db2.gz ZRNFFSFSKTWBJY-UHFFFAOYSA-N -1 1 273.357 3.439 20 0 CGADMM [O-]c1ccc(CN2CCc3ccsc3C2)c(F)c1F ZINC001140894045 804545700 /nfs/dbraw/zinc/54/57/00/804545700.db2.gz OXJBJJWAJDAIEI-UHFFFAOYSA-N -1 1 281.327 3.290 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2cccc(Cl)c2F)no1 ZINC001212480869 815035028 /nfs/dbraw/zinc/03/50/28/815035028.db2.gz NKSKFFZDEMSKRG-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM O=C([N-]CCc1c[nH]c2cccc(Cl)c12)C(F)(F)F ZINC001142771416 804767197 /nfs/dbraw/zinc/76/71/97/804767197.db2.gz ZCDKCIGYXFPGRC-UHFFFAOYSA-N -1 1 290.672 3.042 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H]2c2ccncc2)cc1F ZINC001144665645 805029193 /nfs/dbraw/zinc/02/91/93/805029193.db2.gz CHCVMXJDRWZRGJ-HNNXBMFYSA-N -1 1 290.313 3.403 20 0 CGADMM Cc1cnc(C(=O)N[C@H](CC2CC2)c2ccccc2)c([O-])c1 ZINC001147035087 805104492 /nfs/dbraw/zinc/10/44/92/805104492.db2.gz RYWKSDCQZRWSMK-OAHLLOKOSA-N -1 1 296.370 3.367 20 0 CGADMM Nc1nonc1[N-]c1cccc(SCC(F)(F)F)c1 ZINC001249549759 805174241 /nfs/dbraw/zinc/17/42/41/805174241.db2.gz ZEAYDZMKKRFVQT-UHFFFAOYSA-N -1 1 290.270 3.050 20 0 CGADMM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC001148486274 805188407 /nfs/dbraw/zinc/18/84/07/805188407.db2.gz SAGYINQACCIQJN-HOTGVXAUSA-N -1 1 299.345 3.453 20 0 CGADMM CCC1CCN(Cc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001249759710 805236038 /nfs/dbraw/zinc/23/60/38/805236038.db2.gz LDBHBQFBYQTSSR-UHFFFAOYSA-N -1 1 283.318 3.285 20 0 CGADMM O=C(NC1(CC2CC2)CC1)c1cc2cccc(O)c2cc1[O-] ZINC001149656047 805240392 /nfs/dbraw/zinc/24/03/92/805240392.db2.gz DKJHKHQZEDMYJD-UHFFFAOYSA-N -1 1 297.354 3.314 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1cc(F)c(C)cc1F ZINC001249792923 805250101 /nfs/dbraw/zinc/25/01/01/805250101.db2.gz FQWXGJLKFYNPIY-UHFFFAOYSA-N -1 1 282.246 3.182 20 0 CGADMM CC(C)(C)c1nsc([N-]c2cccc(O)c2F)n1 ZINC001212545913 815060658 /nfs/dbraw/zinc/06/06/58/815060658.db2.gz WBKITYUVBMCVSZ-UHFFFAOYSA-N -1 1 267.329 3.424 20 0 CGADMM Cc1cnc(C(=O)NCC(C)(C)C2CCCCC2)c([O-])c1 ZINC001151246693 805285946 /nfs/dbraw/zinc/28/59/46/805285946.db2.gz TWZTXKAYOGAUTQ-UHFFFAOYSA-N -1 1 290.407 3.432 20 0 CGADMM COc1cccc(C(=O)Cc2cccc([O-])c2Cl)c1 ZINC001249902678 805291920 /nfs/dbraw/zinc/29/19/20/805291920.db2.gz QSXQSJYZAGUFFI-UHFFFAOYSA-N -1 1 276.719 3.480 20 0 CGADMM Cc1cc(NC(=O)OC(C)(C)C)ccc1[N-]c1nnco1 ZINC001249919820 805306087 /nfs/dbraw/zinc/30/60/87/805306087.db2.gz NWQXTMSIDAFBFM-UHFFFAOYSA-N -1 1 290.323 3.469 20 0 CGADMM O=C(CSc1ccccc1)Nc1cccc(F)c1[O-] ZINC001151772401 805312730 /nfs/dbraw/zinc/31/27/30/805312730.db2.gz PRAQUKOKDDBDFG-UHFFFAOYSA-N -1 1 277.320 3.262 20 0 CGADMM CCOc1cccnc1Nc1cc([O-])c(F)c(F)c1F ZINC001249959321 805327609 /nfs/dbraw/zinc/32/76/09/805327609.db2.gz UKEJVGVXWAUKOP-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM O=C1Cc2cc(Nc3cc([O-])c(F)c(F)c3F)ccc2N1 ZINC001249961729 805329621 /nfs/dbraw/zinc/32/96/21/805329621.db2.gz CCVQLWBKWWJTMU-UHFFFAOYSA-N -1 1 294.232 3.048 20 0 CGADMM [O-]c1cc(Nc2cn(CC3CC3)cn2)c(F)c(F)c1F ZINC001249961193 805329754 /nfs/dbraw/zinc/32/97/54/805329754.db2.gz KDGHQSUPFZMLJG-UHFFFAOYSA-N -1 1 283.253 3.160 20 0 CGADMM COc1c(O)cccc1Nc1cc([O-])c(F)c(F)c1F ZINC001249966122 805332931 /nfs/dbraw/zinc/33/29/31/805332931.db2.gz AJKQYZJBFSEWLU-UHFFFAOYSA-N -1 1 285.221 3.267 20 0 CGADMM [O-]c1cc(Nc2ccc3ncncc3c2)c(F)c(F)c1F ZINC001249965673 805333081 /nfs/dbraw/zinc/33/30/81/805333081.db2.gz GFKBJALDJWIXKN-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM [O-]c1cc(F)c(Nc2ccnc3cccnc32)cc1Cl ZINC001250020324 805371530 /nfs/dbraw/zinc/37/15/30/805371530.db2.gz PYASUOAMGCGZKA-UHFFFAOYSA-N -1 1 289.697 3.293 20 0 CGADMM C[C@@H](O)c1ccnc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250022576 805374033 /nfs/dbraw/zinc/37/40/33/805374033.db2.gz NQFFMCLNFNIWEU-SSDOTTSWSA-N -1 1 282.702 3.377 20 0 CGADMM CCC[C@H](C)CCNC(=O)c1ccc(F)c([O-])c1 ZINC001153630135 805408427 /nfs/dbraw/zinc/40/84/27/805408427.db2.gz BLIJUUBAOXALLM-JTQLQIEISA-N -1 1 253.317 3.087 20 0 CGADMM NC(=O)c1cc(Nc2c(F)ccc([O-])c2Cl)ccc1F ZINC001250232285 805506501 /nfs/dbraw/zinc/50/65/01/805506501.db2.gz HWYVTUHGHQOGJU-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM Cc1cncnc1Nc1c(F)ccc([O-])c1Cl ZINC001250234734 805509832 /nfs/dbraw/zinc/50/98/32/805509832.db2.gz WGHOTYJPFOTZPR-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM COc1cccc(CO)c1Nc1c(F)ccc([O-])c1Cl ZINC001250236124 805512273 /nfs/dbraw/zinc/51/22/73/805512273.db2.gz JGVKNJOTOHIBOL-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM O=C(Cc1c(F)cc([O-])cc1F)c1ccc(F)cc1F ZINC001250249014 805519926 /nfs/dbraw/zinc/51/99/26/805519926.db2.gz JKHKUTDTIIJEHO-UHFFFAOYSA-N -1 1 284.208 3.374 20 0 CGADMM COc1cccc(Cc2ccc([O-])c(F)c2F)c1 ZINC001250264334 805532107 /nfs/dbraw/zinc/53/21/07/805532107.db2.gz SQQGBMRGEIZHHT-UHFFFAOYSA-N -1 1 250.244 3.270 20 0 CGADMM COc1ccc(F)c([N-]c2noc3nccnc23)c1Cl ZINC001250305181 805555496 /nfs/dbraw/zinc/55/54/96/805555496.db2.gz JJJKPCFHZYRNBB-UHFFFAOYSA-N -1 1 294.673 3.163 20 0 CGADMM COc1ccc(F)c(Nc2ncc(F)cc2[O-])c1Cl ZINC001250307086 805557043 /nfs/dbraw/zinc/55/70/43/805557043.db2.gz GVFWBFHGAGBYET-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM COC(=O)Cc1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001212620632 815086033 /nfs/dbraw/zinc/08/60/33/815086033.db2.gz AEGCWWPVAHBFRY-UHFFFAOYSA-N -1 1 293.269 3.130 20 0 CGADMM COc1cc([O-])c(-c2nnc(CC(C)(C)C)o2)c(OC)c1 ZINC001257898002 807246609 /nfs/dbraw/zinc/24/66/09/807246609.db2.gz FIWXODRIXBBDRD-UHFFFAOYSA-N -1 1 292.335 3.048 20 0 CGADMM CSCC[C@@H](C)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001258213773 807369202 /nfs/dbraw/zinc/36/92/02/807369202.db2.gz XIQVIEQJJUFZDU-LLVKDONJSA-N -1 1 291.420 3.440 20 0 CGADMM CC(C)CCc1nnc(-c2cc(F)ccc2[O-])o1 ZINC001258351012 807423893 /nfs/dbraw/zinc/42/38/93/807423893.db2.gz WFXJKRNIQJPKTQ-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM COc1cc([O-])c(-c2nnc(CCC(C)C)o2)c(OC)c1 ZINC001258357293 807426338 /nfs/dbraw/zinc/42/63/38/807426338.db2.gz RUCWOFNRWRXKGM-UHFFFAOYSA-N -1 1 292.335 3.048 20 0 CGADMM Cc1cc(CO)cc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001212756936 815128265 /nfs/dbraw/zinc/12/82/65/815128265.db2.gz PDDUHBKIKUNINI-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM COc1cccc([N-]S(=O)(=O)c2cc(C)cc(C)c2)c1 ZINC001259516578 807679376 /nfs/dbraw/zinc/67/93/76/807679376.db2.gz VKOROPCPXMPEIH-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1c(O)ccc2ccccc21 ZINC001260741048 807703431 /nfs/dbraw/zinc/70/34/31/807703431.db2.gz XQVBADUKFSOPPW-JTQLQIEISA-N -1 1 279.361 3.086 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1C ZINC001260991566 807708209 /nfs/dbraw/zinc/70/82/09/807708209.db2.gz LVFLSDDDIHOTQB-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC(C)c1ncc(C(=O)Nc2cccc(F)c2[O-])s1 ZINC001171632947 808109837 /nfs/dbraw/zinc/10/98/37/808109837.db2.gz YJANZVPDZYXRTE-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM COc1cccc(Nc2cc(F)c([O-])c(F)c2)c1OC ZINC001174018053 808825445 /nfs/dbraw/zinc/82/54/45/808825445.db2.gz QQKMULJQKGTRQU-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM NC(=O)c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001174049703 808845572 /nfs/dbraw/zinc/84/55/72/808845572.db2.gz JXOVLVIAZSCVCO-UHFFFAOYSA-N -1 1 280.686 3.027 20 0 CGADMM Cn1cc(Nc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001174330591 808954710 /nfs/dbraw/zinc/95/47/10/808954710.db2.gz JIZMCWTUWNILHV-UHFFFAOYSA-N -1 1 258.108 3.176 20 0 CGADMM CCO[C@H](C)n1cc(Nc2c([O-])cc(F)cc2F)cn1 ZINC001174697292 809134078 /nfs/dbraw/zinc/13/40/78/809134078.db2.gz SVXAGIIDSROPBH-MRVPVSSYSA-N -1 1 283.278 3.166 20 0 CGADMM CN(C)c1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001174967451 809220928 /nfs/dbraw/zinc/22/09/28/809220928.db2.gz XPYCSZASSXIUTD-UHFFFAOYSA-N -1 1 264.275 3.480 20 0 CGADMM COc1cc([N-]c2nnc(-c3ccco3)o2)ccc1F ZINC001175395178 809389713 /nfs/dbraw/zinc/38/97/13/809389713.db2.gz RHJHAFKUELOQKG-UHFFFAOYSA-N -1 1 275.239 3.221 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC001290291424 809405719 /nfs/dbraw/zinc/40/57/19/809405719.db2.gz UQUSNWWVZULSDK-ZDUSSCGKSA-N -1 1 297.354 3.346 20 0 CGADMM Cc1c2c[nH]nc2ccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001175466216 809416273 /nfs/dbraw/zinc/41/62/73/809416273.db2.gz LRMARENXVHCTDY-UHFFFAOYSA-N -1 1 271.324 3.295 20 0 CGADMM CC(C)CC(C)(C)CNC(=O)c1cccc([O-])c1F ZINC001294407833 809468290 /nfs/dbraw/zinc/46/82/90/809468290.db2.gz XSOXUOGXQKDQGQ-UHFFFAOYSA-N -1 1 267.344 3.333 20 0 CGADMM CCC[C@H](NC(=O)c1c([O-])cccc1F)C(C)(C)C ZINC001298072132 809527904 /nfs/dbraw/zinc/52/79/04/809527904.db2.gz BPMGCNGTXXYTBC-LBPRGKRZSA-N -1 1 267.344 3.476 20 0 CGADMM CC(C)c1cccc(-n2[n-]c(=O)c3ccc(N)cc32)c1 ZINC001175778709 809541293 /nfs/dbraw/zinc/54/12/93/809541293.db2.gz PPZYJCMHWDSSPC-UHFFFAOYSA-N -1 1 267.332 3.437 20 0 CGADMM C=COc1ccc(NC(=O)c2cccc([O-])c2F)cc1 ZINC001299158868 809544901 /nfs/dbraw/zinc/54/49/01/809544901.db2.gz YUGUDXKPVTZZHS-UHFFFAOYSA-N -1 1 273.263 3.306 20 0 CGADMM Cc1cccc(C2(NC(=O)c3ncc(C)cc3[O-])CCC2)c1 ZINC001299863903 809556968 /nfs/dbraw/zinc/55/69/68/809556968.db2.gz PRWVMBNBJBMEQK-UHFFFAOYSA-N -1 1 296.370 3.213 20 0 CGADMM CC(C)(F)CCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001300472287 809567986 /nfs/dbraw/zinc/56/79/86/809567986.db2.gz KKOYEKRXDJMAPK-UHFFFAOYSA-N -1 1 293.260 3.279 20 0 CGADMM C[C@H]1C[C@H](CNC(=O)c2ccc(F)c([O-])c2)C[C@@H](C)C1 ZINC001300539610 809570799 /nfs/dbraw/zinc/57/07/99/809570799.db2.gz BBZRZXSXFUMJDU-GDNZZTSVSA-N -1 1 279.355 3.333 20 0 CGADMM CSc1cc(Cl)ccc1[N-]C(=O)c1nnc(C)s1 ZINC001300646444 809571773 /nfs/dbraw/zinc/57/17/73/809571773.db2.gz IEZVNJHXYHKMHU-UHFFFAOYSA-N -1 1 299.808 3.474 20 0 CGADMM CCC(C)(C)[C@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001300716558 809572355 /nfs/dbraw/zinc/57/23/55/809572355.db2.gz WWBWYTYBSZEAIZ-VIFPVBQESA-N -1 1 253.317 3.086 20 0 CGADMM COc1cc(CC(=O)Nc2cccc(F)c2[O-])ccc1C ZINC001302482268 809595867 /nfs/dbraw/zinc/59/58/67/809595867.db2.gz UYBGZKONCYDFNO-UHFFFAOYSA-N -1 1 289.306 3.030 20 0 CGADMM CCC[C@@H](C)CCNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001303150523 809605118 /nfs/dbraw/zinc/60/51/18/809605118.db2.gz ZNIQISCEJFDFPT-LLVKDONJSA-N -1 1 277.364 3.069 20 0 CGADMM FC(F)(F)c1ncc(-c2nc(-c3ccccc3)no2)[n-]1 ZINC001213589743 815307318 /nfs/dbraw/zinc/30/73/18/815307318.db2.gz LZKUPFOAFOTTJB-UHFFFAOYSA-N -1 1 280.209 3.146 20 0 CGADMM FC(F)(F)c1nc(-c2nc(-c3ccccc3)no2)c[n-]1 ZINC001213589743 815307323 /nfs/dbraw/zinc/30/73/23/815307323.db2.gz LZKUPFOAFOTTJB-UHFFFAOYSA-N -1 1 280.209 3.146 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccc(O)c2)c1F ZINC001176670141 809739349 /nfs/dbraw/zinc/73/93/49/809739349.db2.gz SWPWQYGLPZPGDZ-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM Nc1cccc2c1N(c1c(F)cc(F)c([O-])c1F)CCC2 ZINC001176670992 809739471 /nfs/dbraw/zinc/73/94/71/809739471.db2.gz PQAQQQMJIKFGJG-UHFFFAOYSA-N -1 1 294.276 3.476 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cnc(F)c(F)c2)c1F ZINC001176669958 809739892 /nfs/dbraw/zinc/73/98/92/809739892.db2.gz PKXWRUHHZPRGQW-UHFFFAOYSA-N -1 1 276.164 3.226 20 0 CGADMM Cc1cc(F)cc(C(=O)NCc2ccc([O-])c(Cl)c2)c1 ZINC001176988926 809773889 /nfs/dbraw/zinc/77/38/89/809773889.db2.gz VEOAGNNIQPLIOR-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM COc1cc(C)c([N-]S(=O)(=O)c2ccsc2)c(C)c1 ZINC001185391426 810260835 /nfs/dbraw/zinc/26/08/35/810260835.db2.gz MCYCREVXVCKMIN-UHFFFAOYSA-N -1 1 297.401 3.174 20 0 CGADMM Cc1cc2c(cccc2NC(=O)c2ccc([O-])c(F)c2)nn1 ZINC001186226466 810322089 /nfs/dbraw/zinc/32/20/89/810322089.db2.gz PUWUEPFMIYHIPR-UHFFFAOYSA-N -1 1 297.289 3.035 20 0 CGADMM CC(C)c1cccnc1NC(=O)c1ccc([O-])cc1F ZINC001186319507 810327822 /nfs/dbraw/zinc/32/78/22/810327822.db2.gz WSRFXZQFTIAQCR-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM O=C(Nc1scnc1C1CC1)c1ccc([O-])cc1F ZINC001186318288 810328140 /nfs/dbraw/zinc/32/81/40/810328140.db2.gz FXCWPWIXKNNVJC-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM Cn1ccc2cc(NC(=O)c3ccc([O-])cc3F)ccc21 ZINC001186329946 810328783 /nfs/dbraw/zinc/32/87/83/810328783.db2.gz WUVZIUKWVVYADZ-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM Cc1cc(Cl)c(NC(=O)c2ccc([O-])cc2F)cc1O ZINC001186329984 810329607 /nfs/dbraw/zinc/32/96/07/810329607.db2.gz ZIQVWBQTTHZIEW-UHFFFAOYSA-N -1 1 295.697 3.451 20 0 CGADMM CSc1ccccc1NC(=O)Nc1ncccc1[O-] ZINC001186713239 810357672 /nfs/dbraw/zinc/35/76/72/810357672.db2.gz KTSVURJQHURSEP-UHFFFAOYSA-N -1 1 275.333 3.153 20 0 CGADMM O=C(NCC1CCCCC1)Nc1c(F)cc([O-])cc1F ZINC001186882724 810369699 /nfs/dbraw/zinc/36/96/99/810369699.db2.gz BVFMXPHPSPQTEY-UHFFFAOYSA-N -1 1 284.306 3.372 20 0 CGADMM Nc1ccc(F)cc1Nc1cc(F)c([O-])cc1F ZINC001214213894 815385437 /nfs/dbraw/zinc/38/54/37/815385437.db2.gz ZSVLOZFMRWZYHH-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM O=S(=O)(CC1CCCC1)[N-]c1cccc(C2CCC2)n1 ZINC001191493834 810719732 /nfs/dbraw/zinc/71/97/32/810719732.db2.gz MEFFPZCKMCKZPB-UHFFFAOYSA-N -1 1 294.420 3.281 20 0 CGADMM CCCCCCNC(=O)Nc1c([O-])cccc1F ZINC001191972534 810761303 /nfs/dbraw/zinc/76/13/03/810761303.db2.gz IOMZLCUVNUYLAZ-UHFFFAOYSA-N -1 1 254.305 3.233 20 0 CGADMM CCCCCCNC(=O)Nc1cc(F)c([O-])cc1F ZINC001191978356 810761936 /nfs/dbraw/zinc/76/19/36/810761936.db2.gz PUOVZHBRRUEPJK-UHFFFAOYSA-N -1 1 272.295 3.372 20 0 CGADMM C[C@H]1CCCC[C@@H]1CNC(=O)c1cc([O-])cc(F)c1F ZINC001192670767 810814494 /nfs/dbraw/zinc/81/44/94/810814494.db2.gz NNZFHMYSAXGGSE-VHSXEESVSA-N -1 1 283.318 3.227 20 0 CGADMM COc1cc(Nc2cc(F)c([O-])c(Cl)c2)ccn1 ZINC001214479605 815415323 /nfs/dbraw/zinc/41/53/23/815415323.db2.gz BNGDESTUVXAPFR-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM Cc1cc(C)c([N-]S(=O)(=O)c2c(C)cccc2C)cn1 ZINC001194605091 811092905 /nfs/dbraw/zinc/09/29/05/811092905.db2.gz KWVTZTAZWYMRNN-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM COc1cc([N-]C(=O)c2sccc2C(F)(F)F)no1 ZINC001195206381 811226180 /nfs/dbraw/zinc/22/61/80/811226180.db2.gz PENYHBXDDLBJDS-UHFFFAOYSA-N -1 1 292.238 3.016 20 0 CGADMM CCOC(=O)[N-]C(=S)N=c1[nH]c2cc(C)ccc2s1 ZINC001195455081 811256434 /nfs/dbraw/zinc/25/64/34/811256434.db2.gz PICHVKXINMXWGB-UHFFFAOYSA-N -1 1 295.389 3.048 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccccc1C1CC1 ZINC001195449081 811256619 /nfs/dbraw/zinc/25/66/19/811256619.db2.gz CXUHSZNTLZSZQD-UHFFFAOYSA-N -1 1 264.350 3.007 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cccc(Cl)c1Cl ZINC001195486443 811260734 /nfs/dbraw/zinc/26/07/34/811260734.db2.gz DAANUTRKYUWEAW-UHFFFAOYSA-N -1 1 293.175 3.436 20 0 CGADMM CC(=O)c1ccc(F)c([N-]c2ncc(C)o2)c1F ZINC001214751533 815447279 /nfs/dbraw/zinc/44/72/79/815447279.db2.gz MRJPUTIGPVJWRO-UHFFFAOYSA-N -1 1 252.220 3.207 20 0 CGADMM CC[C@H](C)CNC(=S)Nc1ccc([O-])c(F)c1F ZINC001200259281 811657710 /nfs/dbraw/zinc/65/77/10/811657710.db2.gz KXNWQYHPZBBJAT-ZETCQYMHSA-N -1 1 274.336 3.003 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc(CO)c(F)c1F ZINC001215043741 815479932 /nfs/dbraw/zinc/47/99/32/815479932.db2.gz PRKXEZKXROGWTK-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM COc1cc(CO)ccc1Nc1cc([O-])c(Cl)cc1F ZINC001215208444 815494598 /nfs/dbraw/zinc/49/45/98/815494598.db2.gz BZBAQMKGDPDLHV-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM Cc1c(C)c([N-]c2nnc(-c3ccco3)o2)ccc1CO ZINC001215233991 815496437 /nfs/dbraw/zinc/49/64/37/815496437.db2.gz WLFDEHXHCYDVTK-UHFFFAOYSA-N -1 1 285.303 3.182 20 0 CGADMM O=C(Nc1ccc(F)cc1)Nc1cc(F)c([O-])c(F)c1 ZINC001202355712 812072707 /nfs/dbraw/zinc/07/27/07/812072707.db2.gz SPXJRUGKMPKZMM-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM COc1ccc(NC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001202392241 812083323 /nfs/dbraw/zinc/08/33/23/812083323.db2.gz UMPFQRMZQPMSCQ-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM O=C(NC(=O)c1ccccc1)Nc1cccc([O-])c1Cl ZINC001202456725 812097709 /nfs/dbraw/zinc/09/77/09/812097709.db2.gz OLGXBFSDNMCWLA-UHFFFAOYSA-N -1 1 290.706 3.008 20 0 CGADMM O=c1[nH]ccc2cc(Nc3cc(F)c([O-])cc3F)ccc21 ZINC001215573188 815538498 /nfs/dbraw/zinc/53/84/98/815538498.db2.gz FZGCRGDSDDDWFN-UHFFFAOYSA-N -1 1 288.253 3.256 20 0 CGADMM CC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1O ZINC001215573121 815538514 /nfs/dbraw/zinc/53/85/14/815538514.db2.gz DKEHEZJXKHAEEW-UHFFFAOYSA-N -1 1 279.242 3.322 20 0 CGADMM NC(=O)c1ccc(Cl)cc1Nc1cc(F)c([O-])cc1F ZINC001215574082 815538678 /nfs/dbraw/zinc/53/86/78/815538678.db2.gz WHBQNGMEDRVTCA-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM COC(=O)c1cc(F)cc(Nc2cc(F)c([O-])cc2F)c1 ZINC001215573268 815538812 /nfs/dbraw/zinc/53/88/12/815538812.db2.gz AIDJXBSVJDZODW-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM C[C@H](O)c1ccccc1Nc1cc(F)c([O-])cc1F ZINC001215576183 815540123 /nfs/dbraw/zinc/54/01/23/815540123.db2.gz MYEXPQTZUYNKOJ-QMMMGPOBSA-N -1 1 265.259 3.467 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cccc4occc43)no2)nn1 ZINC001205299359 812939623 /nfs/dbraw/zinc/93/96/23/812939623.db2.gz RSNOHSNGXFKWRX-UHFFFAOYSA-N -1 1 280.243 3.206 20 0 CGADMM COc1cccc(NCc2ccc([O-])c(F)c2F)c1F ZINC001205491659 812991974 /nfs/dbraw/zinc/99/19/74/812991974.db2.gz BEQALFZQYRGZHH-UHFFFAOYSA-N -1 1 283.249 3.430 20 0 CGADMM COc1cccc(-c2cc(F)c([O-])cc2F)c1OC ZINC001206775617 813434829 /nfs/dbraw/zinc/43/48/29/813434829.db2.gz CTSUCGPOQONJOT-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM COc1ccc(C)c([N-]c2nnc(-c3ccco3)o2)c1 ZINC001209838316 814157305 /nfs/dbraw/zinc/15/73/05/814157305.db2.gz SQWCSTMLPXRQDY-UHFFFAOYSA-N -1 1 271.276 3.390 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc(F)c(CO)c1 ZINC001209879401 814184497 /nfs/dbraw/zinc/18/44/97/814184497.db2.gz UXFJPZQYWAFZAD-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc(F)cc1O ZINC001210015689 814243920 /nfs/dbraw/zinc/24/39/20/814243920.db2.gz MEDPUNDFKHLICG-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM [O-]c1cc(Nc2cc(F)ccc2CO)cc(F)c1F ZINC001210185753 814326540 /nfs/dbraw/zinc/32/65/40/814326540.db2.gz UHSXCHWWDSNCLJ-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM Cc1c2cc(N)ccc2nn1-c1cccc(Cl)c1[O-] ZINC001210221968 814348822 /nfs/dbraw/zinc/34/88/22/814348822.db2.gz GWMDHLUIYURDLO-UHFFFAOYSA-N -1 1 273.723 3.275 20 0 CGADMM N=c1ccc2c(N)cccc2n1-c1cccc(Cl)c1[O-] ZINC001210222474 814348909 /nfs/dbraw/zinc/34/89/09/814348909.db2.gz JLAXPRVHDDMFRA-UHFFFAOYSA-N -1 1 285.734 3.051 20 0 CGADMM Cc1coc([N-]c2cccnc2C(=O)OC(C)(C)C)n1 ZINC001210954912 814690645 /nfs/dbraw/zinc/69/06/45/814690645.db2.gz FEVOPHOEGIXFPO-UHFFFAOYSA-N -1 1 275.308 3.077 20 0 CGADMM [O-]c1cccc(-c2ncnc3[nH]cc(F)c32)c1Cl ZINC001242798658 823135727 /nfs/dbraw/zinc/13/57/27/823135727.db2.gz OGFDVZPRNQMMNJ-UHFFFAOYSA-N -1 1 263.659 3.075 20 0 CGADMM COC(=O)[C@H](C)c1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242799599 823136857 /nfs/dbraw/zinc/13/68/57/823136857.db2.gz UBNFJRWZSTVEMD-SECBINFHSA-N -1 1 291.734 3.384 20 0 CGADMM [O-]c1ccc(Cl)c(Nc2cncc(CO)c2)c1Cl ZINC001211106769 814747506 /nfs/dbraw/zinc/74/75/06/814747506.db2.gz TWYZPWVTBCROTJ-UHFFFAOYSA-N -1 1 285.130 3.330 20 0 CGADMM COCCOc1ccc(-c2cccc([O-])c2Cl)cn1 ZINC001242802127 823137773 /nfs/dbraw/zinc/13/77/73/823137773.db2.gz RUBFBZMMPPCIKO-UHFFFAOYSA-N -1 1 279.723 3.133 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)CCOC3)cc1F ZINC001211338653 814882049 /nfs/dbraw/zinc/88/20/49/814882049.db2.gz GNMDUVABXRHCAR-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3c2OCO3)cc1F ZINC001211338677 814882162 /nfs/dbraw/zinc/88/21/62/814882162.db2.gz GZUURCOAJJYVLU-UHFFFAOYSA-N -1 1 250.200 3.066 20 0 CGADMM O=C1OCc2c1cccc2-c1cc(F)c([O-])cc1F ZINC001211349842 814883674 /nfs/dbraw/zinc/88/36/74/814883674.db2.gz ISNOYNCTPPHHHA-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM Cc1ccc(Nc2ccc3nccn3c2)cc1C(=O)[O-] ZINC001211594024 814914025 /nfs/dbraw/zinc/91/40/25/814914025.db2.gz JBHCFYBCPHKTDU-UHFFFAOYSA-N -1 1 267.288 3.085 20 0 CGADMM Cc1cc(F)cc(C)c1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001215963731 815644274 /nfs/dbraw/zinc/64/42/74/815644274.db2.gz AHTSQZNFRGTKGB-UHFFFAOYSA-N -1 1 271.295 3.069 20 0 CGADMM CC(=O)c1ccc(-c2noc(-c3cccc([O-])c3F)n2)cc1 ZINC001215984713 815651041 /nfs/dbraw/zinc/65/10/41/815651041.db2.gz VNJFGNRASCBONJ-UHFFFAOYSA-N -1 1 298.273 3.451 20 0 CGADMM COc1nc(-c2ccc(F)c([O-])c2)ncc1C(F)(F)F ZINC001243046702 823223953 /nfs/dbraw/zinc/22/39/53/823223953.db2.gz GBTRWNBACXYWHB-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM [O-]c1cc(-c2ncccc2OC(F)(F)F)ccc1F ZINC001243048468 823225567 /nfs/dbraw/zinc/22/55/67/823225567.db2.gz LHYPNVOBBVJDGX-UHFFFAOYSA-N -1 1 273.185 3.492 20 0 CGADMM CCCC[C@H](CCC)OCCCC[P@](=O)([O-])O ZINC001225019068 816934060 /nfs/dbraw/zinc/93/40/60/816934060.db2.gz QBUUJFXKKCMJDS-LBPRGKRZSA-N -1 1 266.318 3.320 20 0 CGADMM CCCCCC[C@H](C)OCCCC[P@](=O)([O-])O ZINC001225022351 816934220 /nfs/dbraw/zinc/93/42/20/816934220.db2.gz NPHJGJFYEKBJAU-LBPRGKRZSA-N -1 1 266.318 3.320 20 0 CGADMM C[C@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)C1CC1 ZINC001226183337 817292885 /nfs/dbraw/zinc/29/28/85/817292885.db2.gz TXIYTVKKUJAXHI-JTQLQIEISA-N -1 1 256.305 3.027 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H](C)c1cccc(F)c1 ZINC001226242628 817307963 /nfs/dbraw/zinc/30/79/63/817307963.db2.gz QONWONKUPLSZQQ-QMMMGPOBSA-N -1 1 280.324 3.053 20 0 CGADMM COCC(=O)c1ccc([O-])cc1OC1C[C@H](C)C[C@@H](C)C1 ZINC001227168732 817578765 /nfs/dbraw/zinc/57/87/65/817578765.db2.gz MNWIRLZOFPEEEH-VXGBXAGGSA-N -1 1 292.375 3.425 20 0 CGADMM COCC(=O)c1ccc([O-])cc1OC1[C@H](C)CCC[C@H]1C ZINC001227172292 817579865 /nfs/dbraw/zinc/57/98/65/817579865.db2.gz NOWICDYUHGAKND-VXGBXAGGSA-N -1 1 292.375 3.425 20 0 CGADMM C[C@H](Oc1[n-]c(=S)ncc1F)c1ccccc1F ZINC001227382805 817635257 /nfs/dbraw/zinc/63/52/57/817635257.db2.gz GVUWKRCUYXNLJM-ZETCQYMHSA-N -1 1 268.288 3.184 20 0 CGADMM CC[C@@H](Oc1[n-]c(=S)ncc1F)c1ccccc1 ZINC001227383029 817636554 /nfs/dbraw/zinc/63/65/54/817636554.db2.gz IJNFIDYWLIMDCP-LLVKDONJSA-N -1 1 264.325 3.435 20 0 CGADMM COC(C[C@H](C)Oc1cc(Cl)c([O-])cc1Cl)OC ZINC001227641131 817685799 /nfs/dbraw/zinc/68/57/99/817685799.db2.gz KGKXMEXXNKGJEW-ZETCQYMHSA-N -1 1 295.162 3.475 20 0 CGADMM C[C@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)c1ccccc1F ZINC001227715117 817701984 /nfs/dbraw/zinc/70/19/84/817701984.db2.gz ZDJYVZRNQVDXBN-DTWKUNHWSA-N -1 1 290.294 3.053 20 0 CGADMM S=c1nc2cnccc2c(O[C@H]2CCc3cccnc32)[n-]1 ZINC001227886535 817743779 /nfs/dbraw/zinc/74/37/79/817743779.db2.gz VLKBXFJSYVAQFB-LBPRGKRZSA-N -1 1 296.355 3.149 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1-c1nccc2[nH]ccc21 ZINC001243200675 823288129 /nfs/dbraw/zinc/28/81/29/823288129.db2.gz CUIDNJAEXNTZDT-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CCCCC[C@H](CCCC)Oc1nc(C(=O)OC)n[n-]1 ZINC001228311634 817872099 /nfs/dbraw/zinc/87/20/99/817872099.db2.gz MDJLJHAEASSMBE-NSHDSACASA-N -1 1 283.372 3.109 20 0 CGADMM CCCCC[C@H](CCCC)Oc1n[n-]c(C(=O)OC)n1 ZINC001228311634 817872110 /nfs/dbraw/zinc/87/21/10/817872110.db2.gz MDJLJHAEASSMBE-NSHDSACASA-N -1 1 283.372 3.109 20 0 CGADMM CCCCOC[C@@H](C)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228553476 817936378 /nfs/dbraw/zinc/93/63/78/817936378.db2.gz CLUDOHCIUGPHNI-LLVKDONJSA-N -1 1 296.363 3.275 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)C(F)(F)F ZINC001228560043 817939350 /nfs/dbraw/zinc/93/93/50/817939350.db2.gz JSENWHQOXRDLOA-ZCFIWIBFSA-N -1 1 278.226 3.020 20 0 CGADMM CN(Cc1ccc(Cl)c([O-])c1)CC(F)(F)F ZINC001231733053 818162358 /nfs/dbraw/zinc/16/23/58/818162358.db2.gz KXTIBSXCSLWFKU-UHFFFAOYSA-N -1 1 253.651 3.040 20 0 CGADMM C[C@H]1C[C@@H](CF)N(Cc2cccc([O-])c2Cl)C1 ZINC001232784908 818439511 /nfs/dbraw/zinc/43/95/11/818439511.db2.gz YUHIFHMWLCPHQT-ONGXEEELSA-N -1 1 257.736 3.226 20 0 CGADMM [O-]c1cc(CN2CCc3sccc3C2)cc(F)c1F ZINC001232972697 818487087 /nfs/dbraw/zinc/48/70/87/818487087.db2.gz ULKUDOPJZCGXSK-UHFFFAOYSA-N -1 1 281.327 3.290 20 0 CGADMM C[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ncc1[O-] ZINC001233039252 818506849 /nfs/dbraw/zinc/50/68/49/818506849.db2.gz RJGUYGMGEUHEPZ-LLVKDONJSA-N -1 1 288.778 3.387 20 0 CGADMM Cc1cn2c(cccc2-c2ccc([O-])c(F)c2F)n1 ZINC001243342389 823357707 /nfs/dbraw/zinc/35/77/07/823357707.db2.gz MHEBUIONTSRHRH-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM CCNC(=O)c1ccccc1-c1ccc([O-])c(F)c1F ZINC001243343218 823358761 /nfs/dbraw/zinc/35/87/61/823358761.db2.gz XNXYVMPHSMADLO-UHFFFAOYSA-N -1 1 277.270 3.087 20 0 CGADMM [O-]c1ccc(-c2cncc(-c3ncco3)c2)c(F)c1F ZINC001243343671 823358957 /nfs/dbraw/zinc/35/89/57/823358957.db2.gz MDWLIKWTFPPWGE-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM COc1cc(SC)c(-c2ccc([O-])c(F)c2F)cn1 ZINC001243344092 823359131 /nfs/dbraw/zinc/35/91/31/823359131.db2.gz XFQXJAXAGITTFY-UHFFFAOYSA-N -1 1 283.299 3.463 20 0 CGADMM COc1ccc(-c2ccc([O-])c(F)c2F)c(OC)c1F ZINC001243343432 823359427 /nfs/dbraw/zinc/35/94/27/823359427.db2.gz BLJCBRQYMRCZQX-UHFFFAOYSA-N -1 1 284.233 3.494 20 0 CGADMM CCCCCC[C@H](C)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234558382 818881175 /nfs/dbraw/zinc/88/11/75/818881175.db2.gz UGTKDTVFDCOGAX-JTQLQIEISA-N -1 1 296.367 3.015 20 0 CGADMM Cc1ccc(F)c(-c2nccc3c2ccn3C)c1[O-] ZINC001236391060 819447064 /nfs/dbraw/zinc/44/70/64/819447064.db2.gz HOZSLCOSRXNOMD-UHFFFAOYSA-N -1 1 256.280 3.393 20 0 CGADMM C[N@H+](Cc1cccc(F)c1)Cc1ccc(F)c(O)c1 ZINC001236701364 819574979 /nfs/dbraw/zinc/57/49/79/819574979.db2.gz FEPKWXVELOIJHZ-UHFFFAOYSA-N -1 1 263.287 3.302 20 0 CGADMM O=C1OCc2cc(-c3cc(F)cc(F)c3[O-])ccc21 ZINC001243503147 823421622 /nfs/dbraw/zinc/42/16/22/823421622.db2.gz PSOALMXANAKXCX-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM CCOc1cc(-c2cc(F)cc(F)c2[O-])ccn1 ZINC001243502960 823421829 /nfs/dbraw/zinc/42/18/29/823421829.db2.gz CJNNHBXVHOONLO-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM Nc1cnc2c(cccc2-c2cc(F)cc(F)c2[O-])c1 ZINC001243505896 823423768 /nfs/dbraw/zinc/42/37/68/823423768.db2.gz MRRRPJOFZHNKPD-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM COCc1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243506399 823424126 /nfs/dbraw/zinc/42/41/26/823424126.db2.gz VARMGQIZRYCOFL-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM [O-]c1c(CN2C[C@@H]3C[C@H]2C[C@H]3F)cc(Cl)nc1Cl ZINC001237527816 819772630 /nfs/dbraw/zinc/77/26/30/819772630.db2.gz DRTHUKYTYZBQGJ-CNUIFLNQSA-N -1 1 291.153 3.026 20 0 CGADMM [O-]c1cccc(-c2nccc(-c3cccnc3F)n2)c1F ZINC001243541065 823435867 /nfs/dbraw/zinc/43/58/67/823435867.db2.gz CVTZQKBGOOTOAV-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1CN1CCn2cccc2[C@@H]1C ZINC001238146484 819942305 /nfs/dbraw/zinc/94/23/05/819942305.db2.gz XAXHNUIDNDLMRN-ZDUSSCGKSA-N -1 1 284.359 3.072 20 0 CGADMM [O-]c1cc(-c2ccc(-n3cccc3)nn2)ccc1Cl ZINC001243576157 823451235 /nfs/dbraw/zinc/45/12/35/823451235.db2.gz CXNHPNPMZUGOPC-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM Cc1cnc2ncc(-c3ccc(Cl)c([O-])c3)cc2n1 ZINC001243577676 823452300 /nfs/dbraw/zinc/45/23/00/823452300.db2.gz BKYRSIXDDLVEPO-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM CC(C)Oc1nccnc1-c1ccc(Cl)c([O-])c1 ZINC001243579955 823453688 /nfs/dbraw/zinc/45/36/88/823453688.db2.gz YHBJACACJLWMMW-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM CCC(=O)Nc1cc(-c2ccc(Cl)c([O-])c2)ccn1 ZINC001243582474 823454329 /nfs/dbraw/zinc/45/43/29/823454329.db2.gz SZFUREHLCJVZIJ-UHFFFAOYSA-N -1 1 276.723 3.456 20 0 CGADMM O=[P@@]([O-])(O)c1ccc(-c2ccc(C3CC3)cc2)cc1 ZINC001238836766 820130323 /nfs/dbraw/zinc/13/03/23/820130323.db2.gz BKDMUGQLYWHNPX-UHFFFAOYSA-N -1 1 274.256 3.034 20 0 CGADMM O=[P@]([O-])(O)c1ccc(-c2ccc(C3CC3)cc2)cc1 ZINC001238836766 820130327 /nfs/dbraw/zinc/13/03/27/820130327.db2.gz BKDMUGQLYWHNPX-UHFFFAOYSA-N -1 1 274.256 3.034 20 0 CGADMM O=C1CSc2ncc(-c3ccc(Cl)c([O-])c3)cc2N1 ZINC001243584092 823455622 /nfs/dbraw/zinc/45/56/22/823455622.db2.gz QRTJJZCDLWYZLD-UHFFFAOYSA-N -1 1 292.747 3.152 20 0 CGADMM O=C1Cc2cc(-c3csc4ccccc34)ccc2C(=O)[N-]1 ZINC001238893985 820151378 /nfs/dbraw/zinc/15/13/78/820151378.db2.gz DUKHGPYGBVLEDB-UHFFFAOYSA-N -1 1 293.347 3.381 20 0 CGADMM O=C([O-])c1c(F)cc(-c2ccc3nc[nH]c3c2)cc1F ZINC001239346640 820286037 /nfs/dbraw/zinc/28/60/37/820286037.db2.gz VGEXVRANTDUJMT-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cc(C)cnc3C)ccc2[n-]1 ZINC001239905997 820692815 /nfs/dbraw/zinc/69/28/15/820692815.db2.gz PNBSKHXUHKZCCO-UHFFFAOYSA-N -1 1 295.342 3.418 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cc(C)cnc3C)cc2[n-]1 ZINC001239905997 820692819 /nfs/dbraw/zinc/69/28/19/820692819.db2.gz PNBSKHXUHKZCCO-UHFFFAOYSA-N -1 1 295.342 3.418 20 0 CGADMM [O-]c1ccc(F)cc1-c1cccc(OC(F)F)n1 ZINC001240693712 821250160 /nfs/dbraw/zinc/25/01/60/821250160.db2.gz WGOVBUNXOSRRCX-UHFFFAOYSA-N -1 1 255.195 3.195 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(C2CC2)nc2c1CCC2 ZINC001240696288 821252672 /nfs/dbraw/zinc/25/26/72/821252672.db2.gz LIUXSQTWQWPKQP-UHFFFAOYSA-N -1 1 270.307 3.354 20 0 CGADMM COc1cc(C(=O)[O-])ccc1-c1ccc2nc[nH]c2c1C ZINC001240734867 821288243 /nfs/dbraw/zinc/28/82/43/821288243.db2.gz LRJGNVBKGLNKEU-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM COc1ccc2c(C)nc(-c3ccc([O-])c(F)c3)nc2c1 ZINC001240781659 821321375 /nfs/dbraw/zinc/32/13/75/821321375.db2.gz FCPICYGJDGQYCU-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM [O-]c1ccc(-c2ncnc3ccc(F)cc32)cc1F ZINC001240783798 821323336 /nfs/dbraw/zinc/32/33/36/821323336.db2.gz XQKHLBPABCVZCU-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM O=c1c(-c2ccc([O-])c(F)c2)cccn1-c1cccc(F)c1 ZINC001240789695 821332019 /nfs/dbraw/zinc/33/20/19/821332019.db2.gz AQEMXARCFLBWCB-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM CN(C)Cc1cc(-c2ccc(C(=O)[O-])s2)ccc1F ZINC001240847971 821368441 /nfs/dbraw/zinc/36/84/41/821368441.db2.gz AWZNHRFNXDHPMR-UHFFFAOYSA-N -1 1 279.336 3.314 20 0 CGADMM CCOC(=O)c1c(F)cncc1-c1c(F)cc([O-])cc1F ZINC001241123262 821580157 /nfs/dbraw/zinc/58/01/57/821580157.db2.gz YDOIALVPDFXKDU-UHFFFAOYSA-N -1 1 297.232 3.048 20 0 CGADMM [O-]c1cc(F)cc(-c2ncc3ccc(F)cc3n2)c1 ZINC001241258050 821677883 /nfs/dbraw/zinc/67/78/83/821677883.db2.gz SMXZLWCZVPXAEJ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1ccc(F)c(-c2ncc(F)c3cc[nH]c32)c1F ZINC001241288965 821706365 /nfs/dbraw/zinc/70/63/65/821706365.db2.gz DDEBLYMXPUKZSN-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM [O-]c1ccc(F)c(-c2cc(-c3cccnc3)ncn2)c1F ZINC001241289965 821706710 /nfs/dbraw/zinc/70/67/10/821706710.db2.gz HAZJMRSWQDVYCK-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM Cc1cc(NC2CC2)nc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290354 821706850 /nfs/dbraw/zinc/70/68/50/821706850.db2.gz KSTBVJMRLXTOIY-UHFFFAOYSA-N -1 1 277.274 3.010 20 0 CGADMM CC(C)COc1nccnc1-c1c(F)ccc([O-])c1F ZINC001241290919 821707911 /nfs/dbraw/zinc/70/79/11/821707911.db2.gz XHEOKLSGSNGDPP-UHFFFAOYSA-N -1 1 280.274 3.162 20 0 CGADMM CCCc1cnc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241291174 821708525 /nfs/dbraw/zinc/70/85/25/821708525.db2.gz HNPHYTVJYXFZKB-UHFFFAOYSA-N -1 1 250.248 3.080 20 0 CGADMM NC(=S)c1cccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242131634 822888209 /nfs/dbraw/zinc/88/82/09/822888209.db2.gz IGSAOMIJIRITGC-UHFFFAOYSA-N -1 1 298.289 3.107 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ncnc2scnc21 ZINC001242131112 822888616 /nfs/dbraw/zinc/88/86/16/822888616.db2.gz BXBWWKYKUDZELE-UHFFFAOYSA-N -1 1 297.261 3.478 20 0 CGADMM COCc1nc(C)cc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242133043 822889700 /nfs/dbraw/zinc/88/97/00/822889700.db2.gz CJTBQHOVYDBAOY-UHFFFAOYSA-N -1 1 298.264 3.323 20 0 CGADMM [O-]c1ccc(-c2ncnc3cc[nH]c32)cc1C(F)(F)F ZINC001242147884 822894238 /nfs/dbraw/zinc/89/42/38/822894238.db2.gz HWAJFFGQSNJFRK-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM Cc1nccc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151021 822895474 /nfs/dbraw/zinc/89/54/74/822895474.db2.gz CXDFLUPRXACGEF-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM COc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nc1OC ZINC001242152944 822896536 /nfs/dbraw/zinc/89/65/36/822896536.db2.gz OOVBSXCKRMUDOE-UHFFFAOYSA-N -1 1 299.248 3.490 20 0 CGADMM COCc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nn1 ZINC001242157544 822898851 /nfs/dbraw/zinc/89/88/51/822898851.db2.gz IBWQUCQKZCXNFX-UHFFFAOYSA-N -1 1 284.237 3.014 20 0 CGADMM [O-]c1c(F)cccc1-c1cc(C(F)(F)F)[nH]c(=S)n1 ZINC001242349009 822959803 /nfs/dbraw/zinc/95/98/03/822959803.db2.gz DEUBPXVXVNRKTJ-UHFFFAOYSA-N -1 1 290.241 3.296 20 0 CGADMM COC(=O)c1cccc(-c2cccc(F)c2[O-])c1F ZINC001242350998 822961059 /nfs/dbraw/zinc/96/10/59/822961059.db2.gz BOTGZKDXSCXABS-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM CCOC(=O)c1c(OC)cccc1-c1cccc(F)c1[O-] ZINC001242352787 822962764 /nfs/dbraw/zinc/96/27/64/822962764.db2.gz DWMAVYLBBUOCLG-UHFFFAOYSA-N -1 1 290.290 3.384 20 0 CGADMM COC(=O)c1c(F)c(C)ccc1-c1cccc(F)c1[O-] ZINC001242352963 822962772 /nfs/dbraw/zinc/96/27/72/822962772.db2.gz INNSFYRJQNRJKC-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM CC(=O)Nc1ccc(-c2cccc(Cl)c2[O-])c(C)n1 ZINC001242366139 822968804 /nfs/dbraw/zinc/96/88/04/822968804.db2.gz PMHCDTWUIPMUSC-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM COC(=O)c1cc(-c2cccc(Cl)c2[O-])cnc1C ZINC001242368245 822970290 /nfs/dbraw/zinc/97/02/90/822970290.db2.gz ZZNHCEVWSNRDSZ-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001338360789 936319408 /nfs/dbraw/zinc/31/94/08/936319408.db2.gz BQYYJHYZNKCSMC-PHIMTYICSA-N -1 1 285.343 3.264 20 0 CGADMM CCN(c1nnc(-c2ccc(Cl)cc2[O-])n1C)C(C)C ZINC001339551636 936377017 /nfs/dbraw/zinc/37/70/17/936377017.db2.gz FFDAYLMWYVFDDS-UHFFFAOYSA-N -1 1 294.786 3.076 20 0 CGADMM O=C(NC1(C2CCCCC2)CC1)c1ccc([O-])cc1F ZINC001342706244 936476532 /nfs/dbraw/zinc/47/65/32/936476532.db2.gz ASXKMHDZLAMGON-UHFFFAOYSA-N -1 1 277.339 3.374 20 0 CGADMM O=C([N-]c1nncs1)c1cc2ccnc(Cl)c2s1 ZINC001352740794 937048138 /nfs/dbraw/zinc/04/81/38/937048138.db2.gz CRQUVEOKXFDOJJ-UHFFFAOYSA-N -1 1 296.764 3.054 20 0 CGADMM CC1(C)C[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC001358073715 937187273 /nfs/dbraw/zinc/18/72/73/937187273.db2.gz FZYXNPQGBDTRLM-SECBINFHSA-N -1 1 283.755 3.189 20 0 CGADMM CC[C@@H](C)[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000042435359 928204042 /nfs/dbraw/zinc/20/40/42/928204042.db2.gz CQRRHHBQUSADIS-BDAKNGLRSA-N -1 1 255.745 3.210 20 0 CGADMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)cc2)c1 ZINC001440578106 937331417 /nfs/dbraw/zinc/33/14/17/937331417.db2.gz XDPJQERNHUXYJW-UHFFFAOYSA-N -1 1 296.326 3.077 20 0 CGADMM CC[C@H](C)[C@@H](C)N(C(=O)C(=O)c1ccc([O-])cc1)C1CC1 ZINC001443711341 937348362 /nfs/dbraw/zinc/34/83/62/937348362.db2.gz MAQAJJWTKYPJIC-NWDGAFQWSA-N -1 1 289.375 3.001 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCC[C@@]2(CC=CCC2)C1 ZINC001443895563 937348954 /nfs/dbraw/zinc/34/89/54/937348954.db2.gz MSRWATALXIATCW-KRWDZBQOSA-N -1 1 289.350 3.494 20 0 CGADMM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc([O-])cc1F ZINC001444360643 937351922 /nfs/dbraw/zinc/35/19/22/937351922.db2.gz IKZJMANBEARTBC-HNNXBMFYSA-N -1 1 288.322 3.150 20 0 CGADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2F)C1 ZINC001445324053 937356355 /nfs/dbraw/zinc/35/63/55/937356355.db2.gz IVKWOSILIGJPOI-GHMZBOCLSA-N -1 1 297.395 3.325 20 0 CGADMM CCCCCC(C)(C)CNC(=O)c1ncc(C)cc1[O-] ZINC001445536145 937357761 /nfs/dbraw/zinc/35/77/61/937357761.db2.gz YFTUURWJTJACCJ-UHFFFAOYSA-N -1 1 278.396 3.432 20 0 CGADMM Cc1ccccc1C(F)(F)C(=O)[N-]N1[C@H](C)CCC[C@@H]1C ZINC001449322549 937378589 /nfs/dbraw/zinc/37/85/89/937378589.db2.gz RCNZWZUJLXZGLZ-BETUJISGSA-N -1 1 296.361 3.381 20 0 CGADMM CC[C@@H]1CCCC[C@@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001453029700 937400304 /nfs/dbraw/zinc/40/03/04/937400304.db2.gz HOYNARSLIROKKA-RISCZKNCSA-N -1 1 265.328 3.452 20 0 CGADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001455451819 937418040 /nfs/dbraw/zinc/41/80/40/937418040.db2.gz RGVXQZGAMDQYAK-ABAIWWIYSA-N -1 1 281.783 3.344 20 0 CGADMM CC(C)n1ccnc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001456619873 937433325 /nfs/dbraw/zinc/43/33/25/937433325.db2.gz UFXZZUOSHXRVBM-UHFFFAOYSA-N -1 1 297.717 3.214 20 0 CGADMM Cc1nc(SCCc2ccc(F)c(F)c2)[n-]c(=O)c1C ZINC001459018580 937478208 /nfs/dbraw/zinc/47/82/08/937478208.db2.gz RXOCMSILPOUEEK-UHFFFAOYSA-N -1 1 296.342 3.412 20 0 CGADMM CCC(=O)c1ccc([O-])cc1OC[C@H]1CCC=CO1 ZINC001229475353 932157501 /nfs/dbraw/zinc/15/75/01/932157501.db2.gz VEYADXOWRSYCBV-GFCCVEGCSA-N -1 1 262.305 3.056 20 0 CGADMM COc1c(=O)[n-]c(C)nc1O[C@H](C)c1cccc(Cl)c1 ZINC001230023851 932524009 /nfs/dbraw/zinc/52/40/09/932524009.db2.gz CYHUQUZIRQOMIC-MRVPVSSYSA-N -1 1 294.738 3.293 20 0 CGADMM CCC[C@H](Oc1nc(C(=O)OC)c[n-]1)C1CCCCC1 ZINC001230281616 932551367 /nfs/dbraw/zinc/55/13/67/932551367.db2.gz BFAPLIKTRRBSOC-ZDUSSCGKSA-N -1 1 280.368 3.324 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCc2cc(F)ccc21 ZINC001306799764 932760681 /nfs/dbraw/zinc/76/06/81/932760681.db2.gz QJPGKURPHVBRIF-CYBMUJFWSA-N -1 1 289.281 3.339 20 0 CGADMM C[C@H]1CCC[C@H]1CC(=O)NCCc1c(F)cc([O-])cc1F ZINC001304012301 932839558 /nfs/dbraw/zinc/83/95/58/932839558.db2.gz KOYCJDAOVIUAMM-QWRGUYRKSA-N -1 1 297.345 3.155 20 0 CGADMM CCC[C@](C)(NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC001305290810 932865872 /nfs/dbraw/zinc/86/58/72/932865872.db2.gz ARUHLLPDGMIHGQ-KRWDZBQOSA-N -1 1 284.359 3.233 20 0 CGADMM [O-]c1ccc(CN2CCC[C@H]2c2ccc[nH]2)c(F)c1F ZINC001308634579 933146281 /nfs/dbraw/zinc/14/62/81/933146281.db2.gz MTIMIQPLABQXBE-LBPRGKRZSA-N -1 1 278.302 3.336 20 0 CGADMM CN(C(=O)c1cccc([O-])c1F)[C@@H]1CCc2ccccc21 ZINC001463970201 937683788 /nfs/dbraw/zinc/68/37/88/937683788.db2.gz JHPIFSZDLGKNNO-CQSZACIVSA-N -1 1 285.318 3.291 20 0 CGADMM CCN(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CCCC[C@H]1C ZINC001464773173 937695249 /nfs/dbraw/zinc/69/52/49/937695249.db2.gz XHMQTUAAMLWAEK-DOMZBBRYSA-N -1 1 289.375 3.002 20 0 CGADMM CCc1ccc2nc(-c3ccc4c(c3)OCO4)[n-]c(=O)c2c1 ZINC001318543991 933742214 /nfs/dbraw/zinc/74/22/14/933742214.db2.gz HGENHPZWFSNNLG-UHFFFAOYSA-N -1 1 294.310 3.294 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ncc(Cl)s1 ZINC001469161476 937735794 /nfs/dbraw/zinc/73/57/94/937735794.db2.gz OSZPWQXNNWBLOU-UHFFFAOYSA-N -1 1 290.678 3.033 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CC[C@H]1c1ccc(F)cc1 ZINC001469938203 937745987 /nfs/dbraw/zinc/74/59/87/937745987.db2.gz UJAILVLCXDFQNG-ZDUSSCGKSA-N -1 1 289.281 3.258 20 0 CGADMM CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC001470188573 937749110 /nfs/dbraw/zinc/74/91/10/937749110.db2.gz JBMXUNDLBWZYFQ-NSHDSACASA-N -1 1 287.281 3.329 20 0 CGADMM CCCCC(=O)Nc1ccc(Br)c([O-])c1 ZINC001321795044 934212394 /nfs/dbraw/zinc/21/23/94/934212394.db2.gz XSQKXOHWGNJWER-UHFFFAOYSA-N -1 1 272.142 3.283 20 0 CGADMM Cc1scc(CNC(=O)c2ccc(F)c([O-])c2)c1C ZINC001471007708 937760403 /nfs/dbraw/zinc/76/04/03/937760403.db2.gz IUBCVHCCSPDGTB-UHFFFAOYSA-N -1 1 279.336 3.140 20 0 CGADMM Cc1cccc([C@@H](C)C(=O)[N-]OCCOc2ccccc2)c1 ZINC001472341264 937775464 /nfs/dbraw/zinc/77/54/64/937775464.db2.gz OSESUHIUXOAZFQ-OAHLLOKOSA-N -1 1 299.370 3.225 20 0 CGADMM Cc1oncc1CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC001473095410 937792223 /nfs/dbraw/zinc/79/22/23/937792223.db2.gz VBYRNZYGVFFJAX-UHFFFAOYSA-N -1 1 299.355 3.438 20 0 CGADMM O=C([O-])[C@@H](c1ccccc1Cl)N1CCC(F)(F)CC1 ZINC001331841271 935414152 /nfs/dbraw/zinc/41/41/52/935414152.db2.gz TYBCKADQLFQJGW-LLVKDONJSA-N -1 1 289.709 3.197 20 0 CGADMM O=C(C[C@@H]1C=CCC1)Nc1cccc([O-])c1Br ZINC001334950071 936123256 /nfs/dbraw/zinc/12/32/56/936123256.db2.gz ZPPJFIVSMZZTGA-SECBINFHSA-N -1 1 296.164 3.450 20 0 CGADMM C[C@H](OC1CCCCC1)C(=O)Nc1cc([O-])c(F)cc1F ZINC001334998746 936126136 /nfs/dbraw/zinc/12/61/36/936126136.db2.gz VKUFXGYHTGBHMD-VIFPVBQESA-N -1 1 299.317 3.347 20 0 CGADMM CC(C)CCCC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC001474995252 937880924 /nfs/dbraw/zinc/88/09/24/937880924.db2.gz LFLNWLWQAKDRBX-UHFFFAOYSA-N -1 1 295.351 3.322 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1coc(C2CCC2)n1 ZINC001514581204 938001886 /nfs/dbraw/zinc/00/18/86/938001886.db2.gz OSJOGWCKLZANNH-UHFFFAOYSA-N -1 1 275.308 3.306 20 0 CGADMM CCc1nocc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC001536443050 938104916 /nfs/dbraw/zinc/10/49/16/938104916.db2.gz WKBQDBICSKBHRV-UHFFFAOYSA-N -1 1 297.314 3.453 20 0 CGADMM CCN(C(=O)c1cccc([O-])c1F)C1CCCCC1 ZINC001540789819 938133842 /nfs/dbraw/zinc/13/38/42/938133842.db2.gz VBXNTIUSVKRCDY-UHFFFAOYSA-N -1 1 265.328 3.326 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc([O-])cc2F)o1 ZINC001542102925 938135123 /nfs/dbraw/zinc/13/51/23/938135123.db2.gz VNGIWPFDHHOVEC-RNCFNFMXSA-N -1 1 289.306 3.178 20 0 CGADMM C[C@@H](c1cccnc1)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC001542506851 938136156 /nfs/dbraw/zinc/13/61/56/938136156.db2.gz UAFJCPNQIZRIJD-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccc([O-])cn1 ZINC001543634059 938140796 /nfs/dbraw/zinc/14/07/96/938140796.db2.gz NRLIPUKSRAKWNS-LLVKDONJSA-N -1 1 296.326 3.333 20 0 CGADMM Cc1ccc(CNC(=O)c2cncc([O-])c2)c2ccccc12 ZINC001557038285 938207317 /nfs/dbraw/zinc/20/73/17/938207317.db2.gz IBFLRWWJRZWKFM-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM CC(C)[C@](C)(Cc1ccccc1)NC(=O)c1ncccc1[O-] ZINC001557949646 938212628 /nfs/dbraw/zinc/21/26/28/938212628.db2.gz KUYBZMMGBVUWNN-SFHVURJKSA-N -1 1 298.386 3.174 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001557955746 938212639 /nfs/dbraw/zinc/21/26/39/938212639.db2.gz DWBNFZSPEPCLBV-NWDGAFQWSA-N -1 1 289.281 3.413 20 0 CGADMM Nc1cc(Cl)ccc1C(=O)Nc1cccc(F)c1[O-] ZINC001557957978 938212766 /nfs/dbraw/zinc/21/27/66/938212766.db2.gz XMTHLPTZVXPZTL-UHFFFAOYSA-N -1 1 280.686 3.019 20 0 CGADMM O=C(CCn1cccc1)Nc1cc(F)c([O-])cc1Cl ZINC001558644708 938216815 /nfs/dbraw/zinc/21/68/15/938216815.db2.gz VEMMRLVORBVEFB-UHFFFAOYSA-N -1 1 282.702 3.015 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN[C@H](C)c1ccccn1 ZINC000235193395 960395802 /nfs/dbraw/zinc/39/58/02/960395802.db2.gz CHDBMYGUJXJSAI-SECBINFHSA-N -1 1 276.361 3.001 20 0 CGADMM C[C@@H](NCc1occc1C(=O)[O-])c1cccc(Cl)c1 ZINC000235215740 960398252 /nfs/dbraw/zinc/39/82/52/960398252.db2.gz CZVMJDMBEOSDJF-SECBINFHSA-N -1 1 279.723 3.482 20 0 CGADMM Cc1ccc([C@@H](C)NCc2cccc(C(=O)[O-])n2)s1 ZINC000235216824 960398274 /nfs/dbraw/zinc/39/82/74/960398274.db2.gz QANIFDHJGWNLAD-SNVBAGLBSA-N -1 1 276.361 3.001 20 0 CGADMM C[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000235216869 960398359 /nfs/dbraw/zinc/39/83/59/960398359.db2.gz AHLWIOTXIAHMRX-SNVBAGLBSA-N -1 1 290.750 3.284 20 0 CGADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(Cl)c(F)c1 ZINC000235360186 960421734 /nfs/dbraw/zinc/42/17/34/960421734.db2.gz IUGLNNXYTBDWTM-MWLCHTKSSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1ccc(Cl)c(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC001566364974 960929696 /nfs/dbraw/zinc/92/96/96/960929696.db2.gz IOWRLEATKVGXLX-UHFFFAOYSA-N -1 1 289.718 3.175 20 0 CGADMM C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001568059489 961499594 /nfs/dbraw/zinc/49/95/94/961499594.db2.gz RKFSDHQDKNODKU-DGCLKSJQSA-N -1 1 299.370 3.417 20 0 CGADMM C[C@@H]1CCC[C@H]1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001568059491 961501123 /nfs/dbraw/zinc/50/11/23/961501123.db2.gz RKFSDHQDKNODKU-YPMHNXCESA-N -1 1 299.370 3.417 20 0 CGADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001570465529 961977854 /nfs/dbraw/zinc/97/78/54/961977854.db2.gz CWGAOTJMKCSZBY-CDLYGTGVSA-N -1 1 281.302 3.291 20 0 CGADMM CCc1ccc(NCc2csc(-c3nn[n-]n3)c2)cc1C ZINC001578526566 962595590 /nfs/dbraw/zinc/59/55/90/962595590.db2.gz XMSKJUXBPYVFOB-UHFFFAOYSA-N -1 1 299.403 3.411 20 0 CGADMM C[C@H]1Cc2ccccc2N(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001585336624 963004152 /nfs/dbraw/zinc/00/41/52/963004152.db2.gz LILVACQJGYEREA-NSHDSACASA-N -1 1 285.318 3.370 20 0 CGADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)C1CCC(F)CC1 ZINC001585783111 963039550 /nfs/dbraw/zinc/03/95/50/963039550.db2.gz KGGVTCOUFOURIC-BMQDGWLCSA-N -1 1 283.318 3.178 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001587389279 963190628 /nfs/dbraw/zinc/19/06/28/963190628.db2.gz DWBNFZSPEPCLBV-NEPJUHHUSA-N -1 1 289.281 3.413 20 0 CGADMM CC(C)CCC[C@@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001588043789 963240859 /nfs/dbraw/zinc/24/08/59/963240859.db2.gz BLUAFAKJRGMOAL-LLVKDONJSA-N -1 1 267.344 3.476 20 0 CGADMM CC(C)C[C@@H](C)CSc1cccnc1-c1nnn[n-]1 ZINC001589549801 964000714 /nfs/dbraw/zinc/00/07/14/964000714.db2.gz HYORKLNLHNGXJY-SNVBAGLBSA-N -1 1 277.397 3.036 20 0 CGADMM CC(C)C[C@@H](C)CSc1cccnc1-c1nn[n-]n1 ZINC001589549801 964000723 /nfs/dbraw/zinc/00/07/23/964000723.db2.gz HYORKLNLHNGXJY-SNVBAGLBSA-N -1 1 277.397 3.036 20 0 CGADMM CC[C@H](N[C@H]1CCC[C@@H](CCCC(=O)[O-])C1)C(F)F ZINC001595284137 980353248 /nfs/dbraw/zinc/35/32/48/980353248.db2.gz PPIGCTAPFUYLOD-SRVKXCTJSA-N -1 1 277.355 3.433 20 0 CGADMM CCCC[C@H](C(=O)[O-])N(C)Cc1c(F)cccc1F ZINC001595628619 981789226 /nfs/dbraw/zinc/78/92/26/981789226.db2.gz GIPALWWJEAQONM-CYBMUJFWSA-N -1 1 271.307 3.040 20 0 CGADMM Cc1[nH]c(CN2CCC[C@@H]2c2cccs2)cc1C(=O)[O-] ZINC001599961916 985798578 /nfs/dbraw/zinc/79/85/78/985798578.db2.gz DJANBQVFMXGLEO-CYBMUJFWSA-N -1 1 290.388 3.420 20 0 CGADMM Cc1[nH]c(CN(C)Cc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC001599963431 985843451 /nfs/dbraw/zinc/84/34/51/985843451.db2.gz ZUUYXHWQCBWBPE-UHFFFAOYSA-N -1 1 292.766 3.307 20 0 CGADMM CCc1ccc2nc(-c3ccc(OCC(=O)[O-])cc3)[nH]c2c1 ZINC001597570381 988342237 /nfs/dbraw/zinc/34/22/37/988342237.db2.gz GLNFYOHKLXBPDT-UHFFFAOYSA-N -1 1 296.326 3.256 20 0 CGADMM CCc1cnccc1[C@@H](C)N[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001597637184 988622546 /nfs/dbraw/zinc/62/25/46/988622546.db2.gz YHJKDTJIKJCFKM-VXGBXAGGSA-N -1 1 299.374 3.149 20 0 CGADMM CC(C)[C@H]1CCCN([C@H](C)c2nc(C(=O)[O-])co2)CC1 ZINC001591087412 991607061 /nfs/dbraw/zinc/60/70/61/991607061.db2.gz KQHCAQDQVCDJGN-NEPJUHHUSA-N -1 1 280.368 3.192 20 0 CGADMM CC(C)N(Cc1cc(C(=O)[O-])cs1)Cc1ccccn1 ZINC001591603826 992838339 /nfs/dbraw/zinc/83/83/39/992838339.db2.gz UFVJSCSMMAUAMZ-UHFFFAOYSA-N -1 1 290.388 3.252 20 0 CGADMM C[C@H](NCc1ccccc1F)c1cc(C(=O)[O-])cs1 ZINC001593303547 994734441 /nfs/dbraw/zinc/73/44/41/994734441.db2.gz FWVABYNHQDLKCX-VIFPVBQESA-N -1 1 279.336 3.436 20 0 CGADMM COCc1csc(CN[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001599299739 997209713 /nfs/dbraw/zinc/20/97/13/997209713.db2.gz GBIFRJBSVOXWKA-SECBINFHSA-N -1 1 295.360 3.037 20 0 CGADMM C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1ncc(C(=O)[O-])s1 ZINC001594213808 998823990 /nfs/dbraw/zinc/82/39/90/998823990.db2.gz GGBUNRXHVVHWGY-QWRGUYRKSA-N -1 1 296.436 3.488 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC2CC1(c1ccccc1)C2 ZINC000621011463 349442927 /nfs/dbraw/zinc/44/29/27/349442927.db2.gz RIMIRZNTLGDQIC-UHFFFAOYSA-N -1 1 297.329 3.293 20 0 CGADMM CCOc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000350704908 219050582 /nfs/dbraw/zinc/05/05/82/219050582.db2.gz ZBSCCJNMSBPZBM-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000337750279 214244778 /nfs/dbraw/zinc/24/47/78/214244778.db2.gz IRFIODARDDZSOX-UHFFFAOYSA-N -1 1 297.376 3.348 20 0 CGADMM CN(C(=O)c1c(F)ccc([O-])c1F)c1ccc(F)c(F)c1 ZINC000622325777 349672220 /nfs/dbraw/zinc/67/22/20/349672220.db2.gz OERLQLFFXBVUTB-UHFFFAOYSA-N -1 1 299.223 3.225 20 0 CGADMM CN(Cc1cccc2[nH]ccc21)C(=O)c1ccc([O-])cc1F ZINC000436823048 529996367 /nfs/dbraw/zinc/99/63/67/529996367.db2.gz SGSZLTJLDNGVBG-UHFFFAOYSA-N -1 1 298.317 3.285 20 0 CGADMM CC[C@H](C)N(CC)C(=O)c1cc(Cl)ccc1[O-] ZINC000037113684 344947490 /nfs/dbraw/zinc/94/74/90/344947490.db2.gz CUKIUNIARUTCEI-VIFPVBQESA-N -1 1 255.745 3.306 20 0 CGADMM O=C(NCc1ccc(O)cc1)c1cc2ccccc2cc1[O-] ZINC000043484978 344999023 /nfs/dbraw/zinc/99/90/23/344999023.db2.gz PQBMHGJHCYYWJW-UHFFFAOYSA-N -1 1 293.322 3.181 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)s1 ZINC000069572783 345382127 /nfs/dbraw/zinc/38/21/27/345382127.db2.gz XSWQTONCZFRXSB-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(C)(C)C ZINC000084938095 345743674 /nfs/dbraw/zinc/74/36/74/345743674.db2.gz NKIIVRJKTKDUIH-SNVBAGLBSA-N -1 1 281.377 3.146 20 0 CGADMM CCc1nn(C)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000091164243 345806902 /nfs/dbraw/zinc/80/69/02/345806902.db2.gz SBWWFCVVBIFKHB-UHFFFAOYSA-N -1 1 295.342 3.094 20 0 CGADMM CCCCn1ncc([N-]c2nc(CC)ns2)c1C ZINC000092687085 345852520 /nfs/dbraw/zinc/85/25/20/345852520.db2.gz QGILHPGSQPFMDM-UHFFFAOYSA-N -1 1 265.386 3.149 20 0 CGADMM [O-]c1cccc(CNCc2cn3ccsc3n2)c1Cl ZINC000339202772 215009834 /nfs/dbraw/zinc/00/98/34/215009834.db2.gz QYPZVMVKUOXMAV-UHFFFAOYSA-N -1 1 293.779 3.045 20 0 CGADMM [O-]c1ccc(-c2nc([C@H]3Cc4ccccc43)no2)c(F)c1 ZINC000230228938 346320483 /nfs/dbraw/zinc/32/04/83/346320483.db2.gz PZXLOWMLPXFJTA-ZDUSSCGKSA-N -1 1 282.274 3.269 20 0 CGADMM CC[C@H](NC(=O)c1ccc(Br)c([O-])c1)C1CC1 ZINC000323819668 346490818 /nfs/dbraw/zinc/49/08/18/346490818.db2.gz DKNFNYWSLOQXQK-NSHDSACASA-N -1 1 298.180 3.073 20 0 CGADMM Cc1ccsc1C(=O)Nc1c([O-])cccc1F ZINC000605439554 348155768 /nfs/dbraw/zinc/15/57/68/348155768.db2.gz XJWGWRGFUBWCQK-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(CCC(F)(F)F)no1 ZINC000128821722 187392423 /nfs/dbraw/zinc/39/24/23/187392423.db2.gz IFQAQGNPOHXGPL-UHFFFAOYSA-N -1 1 276.189 3.076 20 0 CGADMM Cc1ccc(CC(=O)Nc2c([O-])cccc2F)s1 ZINC000608366759 348301565 /nfs/dbraw/zinc/30/15/65/348301565.db2.gz XXXSGFJXBUKKLE-UHFFFAOYSA-N -1 1 265.309 3.082 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000612759596 348544649 /nfs/dbraw/zinc/54/46/49/348544649.db2.gz MEUSGLUQJPMDNM-JMJZKYOTSA-N -1 1 265.740 3.420 20 0 CGADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000612851147 348550132 /nfs/dbraw/zinc/55/01/32/348550132.db2.gz NNESUZNRUWUSQK-CHWSQXEVSA-N -1 1 298.386 3.449 20 0 CGADMM C[C@@H]1CN(C(=O)c2ncc3ccccc3c2[O-])CC(C)(C)C1 ZINC000613444594 348604900 /nfs/dbraw/zinc/60/49/00/348604900.db2.gz XBZTZWPRPCEDCO-LBPRGKRZSA-N -1 1 298.386 3.449 20 0 CGADMM O=c1c2c([n-]n1Cc1ccc(F)c(F)c1)CCCCC2 ZINC000614187341 348656560 /nfs/dbraw/zinc/65/65/60/348656560.db2.gz UOHSWWWDLYODLR-NSHDSACASA-N -1 1 278.302 3.243 20 0 CGADMM CCCc1c(C)[n-]n(Cc2cccc3cccnc32)c1=O ZINC000614189057 348657423 /nfs/dbraw/zinc/65/74/23/348657423.db2.gz KJLPCIRMBDXITP-OAHLLOKOSA-N -1 1 281.359 3.369 20 0 CGADMM CCc1c(C)[n-]n(-c2cccc(Cl)c2C)c1=O ZINC000614189486 348657603 /nfs/dbraw/zinc/65/76/03/348657603.db2.gz MPXNHSHVKCEMTR-JTQLQIEISA-N -1 1 250.729 3.397 20 0 CGADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000613512144 348614371 /nfs/dbraw/zinc/61/43/71/348614371.db2.gz OOMQLNUCLFNUBH-OCCSQVGLSA-N -1 1 297.395 3.325 20 0 CGADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613890789 348638895 /nfs/dbraw/zinc/63/88/95/348638895.db2.gz KTRAUUFGMPACDI-AGIUHOORSA-N -1 1 298.386 3.447 20 0 CGADMM CCN(CC(C)(C)C)C(=O)c1ncc2ccccc2c1[O-] ZINC000615113721 348715356 /nfs/dbraw/zinc/71/53/56/348715356.db2.gz URPNLZTVIACUGX-UHFFFAOYSA-N -1 1 286.375 3.449 20 0 CGADMM CC[C@H](CC(=O)Nc1c(C)[n-][nH]c1=O)c1ccc(C)cc1 ZINC000615225453 348724857 /nfs/dbraw/zinc/72/48/57/348724857.db2.gz BMDDIYHMEVWTFH-GFCCVEGCSA-N -1 1 287.363 3.255 20 0 CGADMM Cc1sc(NC(=O)c2ccc(O)cc2[O-])nc1C(C)C ZINC000617246675 348938620 /nfs/dbraw/zinc/93/86/20/348938620.db2.gz LMMGLXOBAMMOJJ-UHFFFAOYSA-N -1 1 292.360 3.238 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H]2C[C@@H]2C1 ZINC000619349013 349232885 /nfs/dbraw/zinc/23/28/85/349232885.db2.gz RWHHUJWBPORHLS-ZIAGYGMSSA-N -1 1 267.328 3.027 20 0 CGADMM CN(C[C@H]1CCc2ccccc21)C(=O)c1ccc([O-])c(F)c1 ZINC000620686606 349411284 /nfs/dbraw/zinc/41/12/84/349411284.db2.gz HOHDNEXKXKVVGN-CQSZACIVSA-N -1 1 299.345 3.333 20 0 CGADMM Oc1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000625096168 350127968 /nfs/dbraw/zinc/12/79/68/350127968.db2.gz MCFRZAUMJAVDPV-LLVKDONJSA-N -1 1 291.782 3.148 20 0 CGADMM CC1(C)C[C@H](C(=O)Nc2c([O-])cccc2F)C(C)(C)O1 ZINC000626277528 350290840 /nfs/dbraw/zinc/29/08/40/350290840.db2.gz CBNYEEDNGGEHAG-SECBINFHSA-N -1 1 281.327 3.064 20 0 CGADMM CCCN(CC1CC1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630438586 350840380 /nfs/dbraw/zinc/84/03/80/350840380.db2.gz SFOSUAZTRDMTBM-UHFFFAOYSA-N -1 1 281.783 3.237 20 0 CGADMM Cc1nc(SC[C@@H]2C[C@H]2C)[n-]c(=O)c1C1CC1 ZINC000631023879 350927963 /nfs/dbraw/zinc/92/79/63/350927963.db2.gz ZDDAOHCZJIPNLN-XCBNKYQSSA-N -1 1 250.367 3.116 20 0 CGADMM Cc1occc1CN(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630813519 350892688 /nfs/dbraw/zinc/89/26/88/350892688.db2.gz IQFSIFIGIGKIGS-UHFFFAOYSA-N -1 1 293.750 3.148 20 0 CGADMM CC(C)C(NC(=O)Cc1ccc([O-])c(Cl)c1)C(C)C ZINC000631970813 351155705 /nfs/dbraw/zinc/15/57/05/351155705.db2.gz GFZWHNOFCXWDFY-UHFFFAOYSA-N -1 1 283.799 3.385 20 0 CGADMM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632094177 351167238 /nfs/dbraw/zinc/16/72/38/351167238.db2.gz OSWUZOHDURFWLE-RKDXNWHRSA-N -1 1 293.335 3.074 20 0 CGADMM C[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632693537 351210063 /nfs/dbraw/zinc/21/00/63/351210063.db2.gz HLJOAJRVFWABEN-QMMMGPOBSA-N -1 1 293.335 3.074 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)[C@@H]1c1ccco1 ZINC000633790793 351374325 /nfs/dbraw/zinc/37/43/25/351374325.db2.gz AUTOEUWWQZURBH-CQSZACIVSA-N -1 1 289.306 3.348 20 0 CGADMM Cc1ccc(Cn2[n-]c3c(c2=O)C[C@H](C)CC3)cc1 ZINC000634589243 351527375 /nfs/dbraw/zinc/52/73/75/351527375.db2.gz SJYNTUDQZMJWHG-OCCSQVGLSA-N -1 1 256.349 3.129 20 0 CGADMM Cc1ccc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)c(Cl)c1 ZINC000634593813 351529987 /nfs/dbraw/zinc/52/99/87/351529987.db2.gz AOGWQBFNTBXEAP-ZANVPECISA-N -1 1 262.740 3.397 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(C(F)(F)F)cc3)c(=O)c21 ZINC000634595576 351531807 /nfs/dbraw/zinc/53/18/07/351531807.db2.gz GNPGYODITKUBGK-PRHODGIISA-N -1 1 282.265 3.454 20 0 CGADMM CCc1[n-]n(-c2cc(C(F)(F)F)ccn2)c(=O)c1C(C)C ZINC000634609099 351541095 /nfs/dbraw/zinc/54/10/95/351541095.db2.gz VZPUIHSJNZNXST-LBPRGKRZSA-N -1 1 299.296 3.485 20 0 CGADMM CCc1c(=O)n(-c2ccnc(C)c2)[n-]c1-c1cccc(C)c1 ZINC000634619172 351547336 /nfs/dbraw/zinc/54/73/36/351547336.db2.gz RCKZJUQRQUVFDH-INIZCTEOSA-N -1 1 293.370 3.476 20 0 CGADMM CN(Cc1c(Cl)cccc1Cl)[C@@H](C(=O)[O-])C1CC1 ZINC000635016047 351631711 /nfs/dbraw/zinc/63/17/11/351631711.db2.gz UTJUTURYLCECHT-GFCCVEGCSA-N -1 1 288.174 3.288 20 0 CGADMM CC(F)(F)CCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000450834948 535206968 /nfs/dbraw/zinc/20/69/68/535206968.db2.gz DSJKTHFNKYWCFT-UHFFFAOYSA-N -1 1 288.241 3.338 20 0 CGADMM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ncccc1[O-] ZINC000153816276 188105663 /nfs/dbraw/zinc/10/56/63/188105663.db2.gz MWONDTGDEHMGFH-INIZCTEOSA-N -1 1 284.359 3.257 20 0 CGADMM Cc1ccc(O)c(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)n1 ZINC000292702860 198381651 /nfs/dbraw/zinc/38/16/51/198381651.db2.gz CNGOJBGBNHGHDN-MRXNPFEDSA-N -1 1 283.375 3.074 20 0 CGADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000336405545 213263995 /nfs/dbraw/zinc/26/39/95/213263995.db2.gz XNDSOKAZWMZHNG-KOLCDFICSA-N -1 1 297.782 3.457 20 0 CGADMM FC(F)(F)c1csc(=N[C@H]2CCC[C@@H]3C[C@@H]32)[n-]1 ZINC000413457938 235279582 /nfs/dbraw/zinc/27/95/82/235279582.db2.gz LPGQJWOVUOYDOX-CSMHCCOUSA-N -1 1 262.300 3.184 20 0 CGADMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc([O-])cc3F)C2)C1 ZINC000121406818 138367600 /nfs/dbraw/zinc/36/76/00/138367600.db2.gz KAHFHVPQVSYXCF-BDJLRTHQSA-N -1 1 277.339 3.184 20 0 CGADMM O=C(Nc1c2c(cc3c1CCC3)CCC2)c1cncc([O-])c1 ZINC000427658884 236338822 /nfs/dbraw/zinc/33/88/22/236338822.db2.gz CMIGPLOOFBUIHJ-UHFFFAOYSA-N -1 1 294.354 3.017 20 0 CGADMM COCC(C)(C)CCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000436733638 237168937 /nfs/dbraw/zinc/16/89/37/237168937.db2.gz IGNWRJMTWQGVFG-UHFFFAOYSA-N -1 1 299.798 3.228 20 0 CGADMM Cc1ccccc1C[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000436942575 237215947 /nfs/dbraw/zinc/21/59/47/237215947.db2.gz CBWSLLTXWVLLDI-LBPRGKRZSA-N -1 1 287.334 3.201 20 0 CGADMM CN(C(=O)c1ccccc1[O-])c1ccc2cc[nH]c2c1 ZINC000437000371 237230124 /nfs/dbraw/zinc/23/01/24/237230124.db2.gz NHVGUDKKARSGPI-UHFFFAOYSA-N -1 1 266.300 3.150 20 0 CGADMM O=C(Nc1ccc(F)cc1F)c1c(F)ccc([O-])c1F ZINC000335941850 212731089 /nfs/dbraw/zinc/73/10/89/212731089.db2.gz NHOUPFBBVQDLTI-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM C[C@H](C1CC1)N(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000298281335 200381415 /nfs/dbraw/zinc/38/14/15/200381415.db2.gz BOZBQHUWMGVPRH-SECBINFHSA-N -1 1 279.767 3.449 20 0 CGADMM C/C(=C\c1cccc(Cl)c1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000179234868 189179394 /nfs/dbraw/zinc/17/93/94/189179394.db2.gz NYLBFCXRQXQDTH-CFRMROPGSA-N -1 1 295.766 3.318 20 0 CGADMM CC(C)CC[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000181093635 189288515 /nfs/dbraw/zinc/28/85/15/189288515.db2.gz PKMZOKVGORPBPK-SNVBAGLBSA-N -1 1 253.317 3.086 20 0 CGADMM FC(F)C[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000301436808 201008300 /nfs/dbraw/zinc/00/83/00/201008300.db2.gz SAUPKBCPGFNPKS-UHFFFAOYSA-N -1 1 259.643 3.067 20 0 CGADMM COCCC(C)(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184015790 189374272 /nfs/dbraw/zinc/37/42/72/189374272.db2.gz IJWOVRVXUVOJBP-UHFFFAOYSA-N -1 1 271.744 3.047 20 0 CGADMM CCCC1(CN=c2nc(C(F)(F)F)[n-]s2)CCC1 ZINC000342515434 216380881 /nfs/dbraw/zinc/38/08/81/216380881.db2.gz UTBGOFXGBVONLD-UHFFFAOYSA-N -1 1 279.331 3.361 20 0 CGADMM C[C@]1(F)CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000449349868 239335712 /nfs/dbraw/zinc/33/57/12/239335712.db2.gz KPNSAJODZFLSGI-ZDUSSCGKSA-N -1 1 257.736 3.370 20 0 CGADMM [O-]c1cccc(CN[C@H]2COCc3ccccc32)c1Cl ZINC000335633895 212348531 /nfs/dbraw/zinc/34/85/31/212348531.db2.gz FUUURXCJQMBGIV-AWEZNQCLSA-N -1 1 289.762 3.407 20 0 CGADMM CCOc1cc(C(=O)NC[C@@H]2C[C@H]2CC)cc(Cl)c1[O-] ZINC000456118197 241361919 /nfs/dbraw/zinc/36/19/19/241361919.db2.gz PKOZOGIURIBMFZ-KOLCDFICSA-N -1 1 297.782 3.220 20 0 CGADMM C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335514250 212201333 /nfs/dbraw/zinc/20/13/33/212201333.db2.gz MDIDWSGPKQEIRW-RKDXNWHRSA-N -1 1 269.291 3.435 20 0 CGADMM CC(C)Cc1nnc([N-]C(=O)c2c(F)cccc2F)s1 ZINC000028879513 368890559 /nfs/dbraw/zinc/89/05/59/368890559.db2.gz CZCOZSWVMPULKU-UHFFFAOYSA-N -1 1 297.330 3.267 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000030016564 368901157 /nfs/dbraw/zinc/90/11/57/368901157.db2.gz WHUZVSGDUKKJNX-MWLCHTKSSA-N -1 1 267.756 3.354 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N1Cc1nc(=O)c2sccc2[n-]1 ZINC000066531509 369696041 /nfs/dbraw/zinc/69/60/41/369696041.db2.gz QTKNYUPBILOYBZ-NXEZZACHSA-N -1 1 277.393 3.160 20 0 CGADMM CC[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000109042717 370359214 /nfs/dbraw/zinc/35/92/14/370359214.db2.gz OJVJKUNOBNSQCU-CQSZACIVSA-N -1 1 290.750 3.322 20 0 CGADMM CC(C)[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(F)cc1 ZINC000111776217 370407777 /nfs/dbraw/zinc/40/77/77/370407777.db2.gz YHHQTBQMZNYWTQ-OAHLLOKOSA-N -1 1 288.322 3.053 20 0 CGADMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ncccc1[O-] ZINC000131964858 371143527 /nfs/dbraw/zinc/14/35/27/371143527.db2.gz ZDNYUYGZTRYFFC-HNNXBMFYSA-N -1 1 298.386 3.271 20 0 CGADMM O=C([N-]c1ccncc1F)c1cc(-c2ccccc2)no1 ZINC000132300048 371165094 /nfs/dbraw/zinc/16/50/94/371165094.db2.gz KUGHAEDIWGITMN-UHFFFAOYSA-N -1 1 283.262 3.128 20 0 CGADMM Cc1cccc(C(=O)Nc2ccncc2[O-])c1Cl ZINC000133641345 371269132 /nfs/dbraw/zinc/26/91/32/371269132.db2.gz PMJLGNPMYKZDRD-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCS1 ZINC000134348341 371324868 /nfs/dbraw/zinc/32/48/68/371324868.db2.gz CWHCFRSCWOHDCW-LLVKDONJSA-N -1 1 287.384 3.123 20 0 CGADMM COc1cc(C(=O)N(C)CC(C)(C)C)cc(Cl)c1[O-] ZINC000135044685 371386481 /nfs/dbraw/zinc/38/64/81/371386481.db2.gz SLTKUVMXKLJHLP-UHFFFAOYSA-N -1 1 285.771 3.172 20 0 CGADMM CCSCC[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000135393753 371422122 /nfs/dbraw/zinc/42/21/22/371422122.db2.gz GLKXBOKODLPAAB-SECBINFHSA-N -1 1 287.812 3.307 20 0 CGADMM CCC1(CC)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000147372842 371519390 /nfs/dbraw/zinc/51/93/90/371519390.db2.gz JSJHLYRMFAZDEH-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM CC(C)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])n[nH]1 ZINC000153570749 371776578 /nfs/dbraw/zinc/77/65/78/371776578.db2.gz QVMBMICWGIDSLY-UHFFFAOYSA-N -1 1 279.727 3.144 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]2CCCC[C@@H]21 ZINC000132868141 296181126 /nfs/dbraw/zinc/18/11/26/296181126.db2.gz GHJPJAAWAJZMPB-RISCZKNCSA-N -1 1 277.339 3.326 20 0 CGADMM Cc1ccc([C@H](C)NCc2ccc(C(=O)[O-])cc2)o1 ZINC000050920620 541875778 /nfs/dbraw/zinc/87/57/78/541875778.db2.gz CSOKIXNCDXSZQF-NSHDSACASA-N -1 1 259.305 3.137 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c1 ZINC000432215583 372548291 /nfs/dbraw/zinc/54/82/91/372548291.db2.gz ZNCIVJQXNJEXHP-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM COC[C@@]1(C)CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000294119043 372586473 /nfs/dbraw/zinc/58/64/73/372586473.db2.gz DKRNHDMTEZGLRH-SFHVURJKSA-N -1 1 299.370 3.044 20 0 CGADMM COc1cc(C(=O)NCC(C)(C)C(C)C)cc(Cl)c1[O-] ZINC000442928164 373128506 /nfs/dbraw/zinc/12/85/06/373128506.db2.gz AKVFTQFDXLNPKN-UHFFFAOYSA-N -1 1 299.798 3.466 20 0 CGADMM CC[C@H](C)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000178136318 373747887 /nfs/dbraw/zinc/74/78/87/373747887.db2.gz XLDPLADTJSJZDT-JTQLQIEISA-N -1 1 282.409 3.202 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCCCC1 ZINC000271911849 296206202 /nfs/dbraw/zinc/20/62/02/296206202.db2.gz ZFQYGDUNPNXWDL-UHFFFAOYSA-N -1 1 287.281 3.427 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000180194336 373976462 /nfs/dbraw/zinc/97/64/62/373976462.db2.gz RSPRFZKVCYPHGJ-UHFFFAOYSA-N -1 1 296.779 3.098 20 0 CGADMM O=C(Nc1ccncc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000180345891 373993273 /nfs/dbraw/zinc/99/32/73/373993273.db2.gz BKXVIBOOHCROLY-UHFFFAOYSA-N -1 1 282.221 3.058 20 0 CGADMM O=C(NCc1cccc(Cl)c1)c1ccc([O-])cc1F ZINC000181055347 374073721 /nfs/dbraw/zinc/07/37/21/374073721.db2.gz FGHGBTFWYLHYAK-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC2(CCC2)[C@@H]1C1CC1 ZINC000291909149 296209653 /nfs/dbraw/zinc/20/96/53/296209653.db2.gz LWIDDLVACNHZBZ-AWEZNQCLSA-N -1 1 291.778 3.450 20 0 CGADMM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([O-])cc1F ZINC000181855444 374182160 /nfs/dbraw/zinc/18/21/60/374182160.db2.gz CZWVZGGRKSFGBE-SNVBAGLBSA-N -1 1 271.291 3.123 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1)c1ccc([O-])cc1F ZINC000181831205 374177639 /nfs/dbraw/zinc/17/76/39/374177639.db2.gz MSWBCMSKIHQMCM-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1C ZINC000075913706 541908812 /nfs/dbraw/zinc/90/88/12/541908812.db2.gz NFFIWNXXPWZNBO-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])c1nccs1 ZINC000184292199 374511310 /nfs/dbraw/zinc/51/13/10/374511310.db2.gz BJOVEOQPPKFQEK-QMMMGPOBSA-N -1 1 296.779 3.036 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c([O-])c1 ZINC000331204506 374511670 /nfs/dbraw/zinc/51/16/70/374511670.db2.gz OIFPYPRKKOOABV-HIFRSBDPSA-N -1 1 296.370 3.114 20 0 CGADMM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456780257 374622014 /nfs/dbraw/zinc/62/20/14/374622014.db2.gz IQYVUCMANRPVGN-JGVFFNPUSA-N -1 1 257.280 3.291 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1cc(C2CC2)no1 ZINC000334608690 374901215 /nfs/dbraw/zinc/90/12/15/374901215.db2.gz UEQDIFLUQHKZHF-UHFFFAOYSA-N -1 1 278.695 3.163 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000187291541 374998218 /nfs/dbraw/zinc/99/82/18/374998218.db2.gz PWZHHRVXVHNXAR-UHFFFAOYSA-N -1 1 297.329 3.219 20 0 CGADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1 ZINC000188147735 375167041 /nfs/dbraw/zinc/16/70/41/375167041.db2.gz SAAMODAFEGTBSY-UHFFFAOYSA-N -1 1 286.356 3.035 20 0 CGADMM Cc1nc(C(C)C)oc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335221413 375240065 /nfs/dbraw/zinc/24/00/65/375240065.db2.gz YQTUBXGQGFTZFR-UHFFFAOYSA-N -1 1 296.273 3.343 20 0 CGADMM CC1(C)CCCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000335685637 375345738 /nfs/dbraw/zinc/34/57/38/375345738.db2.gz CSNLLJAWUMVVDE-UHFFFAOYSA-N -1 1 291.420 3.409 20 0 CGADMM O=C([N-]c1c(F)cccc1F)c1cc(C2CC2)no1 ZINC000335751337 375399833 /nfs/dbraw/zinc/39/98/33/375399833.db2.gz PEXPGEQYRNGJJY-UHFFFAOYSA-N -1 1 264.231 3.083 20 0 CGADMM CS[C@@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000336179499 375751731 /nfs/dbraw/zinc/75/17/31/375751731.db2.gz ILMAIXRPSXLZNC-LURJTMIESA-N -1 1 254.286 3.005 20 0 CGADMM C[C@H]1c2ccccc2CCN1Cc1occc1C(=O)[O-] ZINC000517751009 375827038 /nfs/dbraw/zinc/82/70/38/375827038.db2.gz ZUOHHSRTBXZELX-NSHDSACASA-N -1 1 271.316 3.097 20 0 CGADMM [O-]c1cccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1Cl ZINC000336613969 375876124 /nfs/dbraw/zinc/87/61/24/375876124.db2.gz NXHBGXXKNVRTAK-CHWSQXEVSA-N -1 1 281.783 3.047 20 0 CGADMM Cc1ccc(-c2cc(C(=O)Nc3cccc(F)c3)[nH]n2)o1 ZINC000195601285 376113295 /nfs/dbraw/zinc/11/32/95/376113295.db2.gz ZEBKIQWHNZJMGS-UHFFFAOYSA-N -1 1 285.278 3.370 20 0 CGADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)C12CCC(CC1)C2 ZINC000541515125 376453686 /nfs/dbraw/zinc/45/36/86/376453686.db2.gz RZWKOLSJRJEOAI-UHFFFAOYSA-N -1 1 287.388 3.079 20 0 CGADMM O=C([N-]c1cc(F)c(F)cc1F)c1cc(C2CC2)no1 ZINC000334291129 206319250 /nfs/dbraw/zinc/31/92/50/206319250.db2.gz CZAUKCSJIIPQAO-UHFFFAOYSA-N -1 1 282.221 3.222 20 0 CGADMM COc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000135067642 542086378 /nfs/dbraw/zinc/08/63/78/542086378.db2.gz JAHBGAOBJRSHOQ-AOOOYVTPSA-N -1 1 297.782 3.457 20 0 CGADMM Cc1cnccc1SCC(=O)c1ccc([O-])cc1 ZINC000558872495 377050213 /nfs/dbraw/zinc/05/02/13/377050213.db2.gz AKEICCNBQSQHQQ-UHFFFAOYSA-N -1 1 259.330 3.071 20 0 CGADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(F)cc1[O-] ZINC000340329787 377005534 /nfs/dbraw/zinc/00/55/34/377005534.db2.gz GOUZXBHEADSBAJ-QMTHXVAHSA-N -1 1 281.327 3.065 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)C2CCCCC2)n1 ZINC000562708483 377352448 /nfs/dbraw/zinc/35/24/48/377352448.db2.gz SABHDUYMPHCAQQ-SNVBAGLBSA-N -1 1 294.420 3.375 20 0 CGADMM Cc1cccc(Cl)c1CN1CCSC[C@H]1CC(=O)[O-] ZINC000574212843 377635505 /nfs/dbraw/zinc/63/55/05/377635505.db2.gz FYTDBXODZPIEHH-LLVKDONJSA-N -1 1 299.823 3.041 20 0 CGADMM [O-]c1cccnc1CN1CCc2sc(Cl)cc2C1 ZINC000574811348 377713360 /nfs/dbraw/zinc/71/33/60/377713360.db2.gz JIZWUOAMLBTJDQ-UHFFFAOYSA-N -1 1 280.780 3.060 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(F)c(Cl)c1 ZINC000263459257 377939275 /nfs/dbraw/zinc/93/92/75/377939275.db2.gz BJBCSHQFLXXOAZ-GXSJLCMTSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(F)c(Cl)c1 ZINC000263459260 377939606 /nfs/dbraw/zinc/93/96/06/377939606.db2.gz BJBCSHQFLXXOAZ-ONGXEEELSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(F)c(C)c1 ZINC000578019437 378030906 /nfs/dbraw/zinc/03/09/06/378030906.db2.gz XQXRZEUTFWBELH-UHFFFAOYSA-N -1 1 291.322 3.366 20 0 CGADMM Cc1oc(CN2Cc3ccccc3C3(CC3)C2)cc1C(=O)[O-] ZINC000578242121 378050067 /nfs/dbraw/zinc/05/00/67/378050067.db2.gz JWIQYXOIGGHGKX-UHFFFAOYSA-N -1 1 297.354 3.334 20 0 CGADMM CCN(Cc1ccoc1C(=O)[O-])Cc1cccc(F)c1 ZINC000580955446 378271052 /nfs/dbraw/zinc/27/10/52/378271052.db2.gz BRTIXFAAAZLYPM-UHFFFAOYSA-N -1 1 277.295 3.139 20 0 CGADMM CCc1nc(SCc2csc(C)n2)[n-]c(=O)c1C ZINC000582073878 378284254 /nfs/dbraw/zinc/28/42/54/378284254.db2.gz SSMWHCYUWCXJRT-UHFFFAOYSA-N -1 1 281.406 3.110 20 0 CGADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000270851125 378405946 /nfs/dbraw/zinc/40/59/46/378405946.db2.gz JXXJUGQUDJTJEM-MRVPVSSYSA-N -1 1 291.326 3.004 20 0 CGADMM Cc1ccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])o1 ZINC000277373245 379142398 /nfs/dbraw/zinc/14/23/98/379142398.db2.gz QKSXCZYNHAMHBO-DOMZBBRYSA-N -1 1 273.332 3.140 20 0 CGADMM C[C@@H]1CC[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000350812624 379589772 /nfs/dbraw/zinc/58/97/72/379589772.db2.gz HIVDFFMUKMVDCU-HQJQHLMTSA-N -1 1 280.711 3.336 20 0 CGADMM CC1=C(C)C[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000280843717 379805503 /nfs/dbraw/zinc/80/55/03/379805503.db2.gz XJUMBDYFELGBAK-UHFFFAOYSA-N -1 1 285.343 3.041 20 0 CGADMM O=C(N=c1[n-]sc2ccccc21)N[C@H]1CCC(F)(F)C1 ZINC000640342199 379770678 /nfs/dbraw/zinc/77/06/78/379770678.db2.gz MUSOXWPLFCEQLJ-QMMMGPOBSA-N -1 1 297.330 3.028 20 0 CGADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H]1CCCCO1 ZINC000379277154 379859863 /nfs/dbraw/zinc/85/98/63/379859863.db2.gz AQHKQPROQUSYGW-SJKOYZFVSA-N -1 1 299.370 3.233 20 0 CGADMM CCO[C@H]1C[C@@H](NCc2c(F)ccc(O)c2F)C12CCC2 ZINC000352570325 379862604 /nfs/dbraw/zinc/86/26/04/379862604.db2.gz FZDBSAFVNPDKRP-KGLIPLIRSA-N -1 1 297.345 3.108 20 0 CGADMM CSCC(C)(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000282519048 379936157 /nfs/dbraw/zinc/93/61/57/379936157.db2.gz PKQHFTLFZLFDGM-UHFFFAOYSA-N -1 1 273.785 3.373 20 0 CGADMM CN(Cc1cccnc1)Cc1cccc([O-])c1Cl ZINC000352826223 379986209 /nfs/dbraw/zinc/98/62/09/379986209.db2.gz BGVLHBFQPOSLFH-UHFFFAOYSA-N -1 1 262.740 3.073 20 0 CGADMM CCCCN(C(=O)c1cc(F)cc2nn[nH]c21)[C@@H](C)CC ZINC000282857109 380002170 /nfs/dbraw/zinc/00/21/70/380002170.db2.gz UKRGSKGSTKHVLV-JTQLQIEISA-N -1 1 292.358 3.138 20 0 CGADMM [O-]c1ccc(-c2noc(CCCC3CC3)n2)c(F)c1 ZINC000643359886 380297010 /nfs/dbraw/zinc/29/70/10/380297010.db2.gz GGXCBNUFRAQGIU-UHFFFAOYSA-N -1 1 262.284 3.314 20 0 CGADMM CSc1ccc(CNCc2cc(C(=O)[O-])co2)s1 ZINC000417547649 380634173 /nfs/dbraw/zinc/63/41/73/380634173.db2.gz OWAYSIGXIAUDDY-UHFFFAOYSA-N -1 1 283.374 3.051 20 0 CGADMM CC(C)(C)CNC(=S)Nc1cccc([O-])c1Cl ZINC001247979198 804863309 /nfs/dbraw/zinc/86/33/09/804863309.db2.gz MYKMFLPSDXXJSX-UHFFFAOYSA-N -1 1 272.801 3.378 20 0 CGADMM C[C@@]1(c2nc(-c3ccc([O-])cc3Cl)no2)C[C@H]1F ZINC000335248519 208021935 /nfs/dbraw/zinc/02/19/35/208021935.db2.gz MHNVVDGMKQXWLD-BXKDBHETSA-N -1 1 268.675 3.095 20 0 CGADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1c1ccccc1 ZINC000275143897 542374417 /nfs/dbraw/zinc/37/44/17/542374417.db2.gz SQSHUMWPWZQOKK-AWEZNQCLSA-N -1 1 282.343 3.155 20 0 CGADMM COCC1(c2nc(-c3ccc([O-])cc3Cl)no2)CCC1 ZINC000289163653 197250711 /nfs/dbraw/zinc/25/07/11/197250711.db2.gz UULPUTZBNYBICH-UHFFFAOYSA-N -1 1 294.738 3.164 20 0 CGADMM O=C([O-])CCC1CCN(Cc2cccc(O)c2Cl)CC1 ZINC000328445746 542444618 /nfs/dbraw/zinc/44/46/18/542444618.db2.gz IQHFRBSKZCWRNI-UHFFFAOYSA-N -1 1 297.782 3.122 20 0 CGADMM O=C([O-])CCC1CC[NH+](Cc2cccc([O-])c2Cl)CC1 ZINC000328445746 542444620 /nfs/dbraw/zinc/44/46/20/542444620.db2.gz IQHFRBSKZCWRNI-UHFFFAOYSA-N -1 1 297.782 3.122 20 0 CGADMM COc1ccc(C(=O)Nc2ncccc2C(C)C)c([O-])c1 ZINC000436603737 533351378 /nfs/dbraw/zinc/35/13/78/533351378.db2.gz IBKUNWUHTOCHAO-UHFFFAOYSA-N -1 1 286.331 3.172 20 0 CGADMM COc1cc(C(=O)N[C@H]2CCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000153549326 392520320 /nfs/dbraw/zinc/52/03/20/392520320.db2.gz AODUZWLQRDPYFH-ONGXEEELSA-N -1 1 297.782 3.363 20 0 CGADMM COc1cc(C(=O)N[C@H]2CCC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000153549200 392520518 /nfs/dbraw/zinc/52/05/18/392520518.db2.gz AODUZWLQRDPYFH-KOLCDFICSA-N -1 1 297.782 3.363 20 0 CGADMM COc1cc(C(=O)N(C)CC2CCCC2)cc(Cl)c1[O-] ZINC000153691028 392525871 /nfs/dbraw/zinc/52/58/71/392525871.db2.gz QFWIJEYNXUUTTN-UHFFFAOYSA-N -1 1 297.782 3.316 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC(C2CCCC2)C1 ZINC000372983404 392654509 /nfs/dbraw/zinc/65/45/09/392654509.db2.gz NCECBBACTXBHLA-UHFFFAOYSA-N -1 1 279.767 3.308 20 0 CGADMM CO[C@@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000334493126 392730614 /nfs/dbraw/zinc/73/06/14/392730614.db2.gz DYJKETQIZXPJDG-GXSJLCMTSA-N -1 1 283.755 3.189 20 0 CGADMM CO[C@H](C)c1nc(=NCCC2=CCCCCC2)s[n-]1 ZINC000509622074 392761190 /nfs/dbraw/zinc/76/11/90/392761190.db2.gz VXTFOHOMTXEJPY-LLVKDONJSA-N -1 1 281.425 3.360 20 0 CGADMM [O-]c1cccc(CN2CCOC[C@H]2C2CCC2)c1Cl ZINC000648067180 392897879 /nfs/dbraw/zinc/89/78/79/392897879.db2.gz LXJNWHREXOGKMU-ZDUSSCGKSA-N -1 1 281.783 3.047 20 0 CGADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1CCC1CCCC1 ZINC000547984605 393162358 /nfs/dbraw/zinc/16/23/58/393162358.db2.gz KYPPBHPERYAKGS-CQSZACIVSA-N -1 1 288.391 3.362 20 0 CGADMM CC[C@H]1CCC[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000648940479 393295993 /nfs/dbraw/zinc/29/59/93/393295993.db2.gz DYSOIFMZXDYWCL-VHSXEESVSA-N -1 1 251.301 3.296 20 0 CGADMM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000416545874 393314776 /nfs/dbraw/zinc/31/47/76/393314776.db2.gz IYGNHEPHZTZCDG-ONGXEEELSA-N -1 1 293.841 3.114 20 0 CGADMM C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000629376442 542782853 /nfs/dbraw/zinc/78/28/53/542782853.db2.gz WHGHSWBOXOUBGM-CHWSQXEVSA-N -1 1 299.374 3.343 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc2sccc2[nH]1 ZINC000430273047 393556226 /nfs/dbraw/zinc/55/62/26/393556226.db2.gz ZUCKUMFBIZNDII-UHFFFAOYSA-N -1 1 276.292 3.326 20 0 CGADMM CC[C@@H](SC)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445453621 393795242 /nfs/dbraw/zinc/79/52/42/393795242.db2.gz BXCCIUWOCDFKQL-SNVBAGLBSA-N -1 1 268.313 3.395 20 0 CGADMM Cc1ccccc1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445461107 393796602 /nfs/dbraw/zinc/79/66/02/393796602.db2.gz FLCSOUFLMRXTQH-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM Cc1cccnc1/C=C\c1nc(-c2ccc([O-])cc2F)no1 ZINC000445460295 393796825 /nfs/dbraw/zinc/79/68/25/393796825.db2.gz PVAPOIRABUFZMD-SREVYHEPSA-N -1 1 297.289 3.455 20 0 CGADMM COc1cc2c(cc1F)nccc2NCCCCC(=O)[O-] ZINC000668160636 542978900 /nfs/dbraw/zinc/97/89/00/542978900.db2.gz YITNUJCCUKGZLY-UHFFFAOYSA-N -1 1 292.310 3.049 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]2C[C@@H]21 ZINC000672129470 543199135 /nfs/dbraw/zinc/19/91/35/543199135.db2.gz YEOJPLPPCKASSI-HIFRSBDPSA-N -1 1 267.328 3.170 20 0 CGADMM Cc1cnc(C(=O)N(C)C(C)(C)c2ccccc2)c([O-])c1 ZINC000671891425 543194496 /nfs/dbraw/zinc/19/44/96/543194496.db2.gz FAAWHHGVJYRRCZ-UHFFFAOYSA-N -1 1 284.359 3.103 20 0 CGADMM C[C@H](C(=O)Nc1c([O-])cccc1F)C1CCCC1 ZINC000674136707 543273313 /nfs/dbraw/zinc/27/33/13/543273313.db2.gz QBFHDZMXTCFKIL-VIFPVBQESA-N -1 1 251.301 3.296 20 0 CGADMM O=c1c2c([n-]n1Cc1ccccc1Cl)CCCC2 ZINC000103888576 397649514 /nfs/dbraw/zinc/64/95/14/397649514.db2.gz AXKQKCQFDFAOQB-NSHDSACASA-N -1 1 262.740 3.228 20 0 CGADMM Cc1cccc(Cn2[n-]c3c(c2=O)CCCCC3)c1 ZINC000109522700 397653468 /nfs/dbraw/zinc/65/34/68/397653468.db2.gz BRYMODZNCJZLJC-CQSZACIVSA-N -1 1 256.349 3.274 20 0 CGADMM O=c1c2c([n-]n1Cc1ccc(Cl)cc1)CCCC2 ZINC000109362663 397653605 /nfs/dbraw/zinc/65/36/05/397653605.db2.gz PHSZHJKALKSFAH-LBPRGKRZSA-N -1 1 262.740 3.228 20 0 CGADMM O=S(=O)([N-]CC1CCCCC1)c1cc2ccccc2o1 ZINC000674710069 543294265 /nfs/dbraw/zinc/29/42/65/543294265.db2.gz WCZFCJISLBONEQ-UHFFFAOYSA-N -1 1 293.388 3.291 20 0 CGADMM CC(C)c1nsc([N-]c2cnn(CC3CC3)c2)n1 ZINC000678401096 543519680 /nfs/dbraw/zinc/51/96/80/543519680.db2.gz IPSJVXWCEGBZTB-UHFFFAOYSA-N -1 1 263.370 3.012 20 0 CGADMM Cc1cccc(CCNC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000051671243 286934399 /nfs/dbraw/zinc/93/43/99/286934399.db2.gz OASRDRHVQPFHOP-UHFFFAOYSA-N -1 1 289.762 3.327 20 0 CGADMM C[C@@H](CC1CC1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000070104936 286985532 /nfs/dbraw/zinc/98/55/32/286985532.db2.gz QXNSUWSTHURCMG-NSHDSACASA-N -1 1 269.344 3.464 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000074842521 287019039 /nfs/dbraw/zinc/01/90/39/287019039.db2.gz WPFBXNPYGCWPFS-UHFFFAOYSA-N -1 1 286.356 3.277 20 0 CGADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000075082508 287021594 /nfs/dbraw/zinc/02/15/94/287021594.db2.gz LDMIBTYZOASWHJ-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757515 287084042 /nfs/dbraw/zinc/08/40/42/287084042.db2.gz RVUGWNQHTOJTSK-WDEREUQCSA-N -1 1 283.318 3.213 20 0 CGADMM O=C(c1ncccc1[O-])N1CCC[C@H](c2ccccc2)CC1 ZINC000067179489 165037644 /nfs/dbraw/zinc/03/76/44/165037644.db2.gz PVRZCHVPXJBOFL-HNNXBMFYSA-N -1 1 296.370 3.197 20 0 CGADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000092602202 287112886 /nfs/dbraw/zinc/11/28/86/287112886.db2.gz PHCPYNKNQLFWDM-JTQLQIEISA-N -1 1 289.306 3.070 20 0 CGADMM C[C@@H]1CC(NC(=O)c2ccc3ccccc3c2[O-])C[C@@H](C)O1 ZINC000120442126 287182351 /nfs/dbraw/zinc/18/23/51/287182351.db2.gz XNZNUQNKFBNJER-VXGBXAGGSA-N -1 1 299.370 3.231 20 0 CGADMM O=C(NCc1cccc2cccnc21)c1c([O-])cccc1F ZINC000121286240 287195923 /nfs/dbraw/zinc/19/59/23/287195923.db2.gz NAWULBAMUPORNH-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cn1 ZINC000121311665 287196631 /nfs/dbraw/zinc/19/66/31/287196631.db2.gz PAIHJQBHSDGQLY-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM O=C(Nc1cccc2cnccc21)c1ccccc1[O-] ZINC000035232050 172071992 /nfs/dbraw/zinc/07/19/92/172071992.db2.gz ITDONLMXTIAJEC-UHFFFAOYSA-N -1 1 264.284 3.193 20 0 CGADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000071203174 176078748 /nfs/dbraw/zinc/07/87/48/176078748.db2.gz AYQJKSYTXMBXBR-CYBMUJFWSA-N -1 1 276.380 3.076 20 0 CGADMM O=C([N-]c1nnc(C(F)F)s1)c1cc(F)ccc1F ZINC000049043663 416466090 /nfs/dbraw/zinc/46/60/90/416466090.db2.gz LOSSQOWGCVMVQS-UHFFFAOYSA-N -1 1 291.229 3.006 20 0 CGADMM CCc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000048653264 416455799 /nfs/dbraw/zinc/45/57/99/416455799.db2.gz KDXLBBVUJFAEMY-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM CC(C)Oc1ccc(-c2nc(=O)c3sccc3[n-]2)cc1 ZINC000048622961 416456887 /nfs/dbraw/zinc/45/68/87/416456887.db2.gz LOPDJVTYXKPESD-UHFFFAOYSA-N -1 1 286.356 3.439 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(C(F)(F)F)cc2)c1=O ZINC000128915878 416513428 /nfs/dbraw/zinc/51/34/28/416513428.db2.gz XCCQEJJGBZPIKV-LLVKDONJSA-N -1 1 270.254 3.454 20 0 CGADMM CC[C@H](C)n1nc(C(=O)Nc2c([O-])cccc2F)cc1C ZINC000679239414 543605988 /nfs/dbraw/zinc/60/59/88/543605988.db2.gz JSZZYIDWRUFXSX-VIFPVBQESA-N -1 1 291.326 3.260 20 0 CGADMM Cc1cc(C)cc(N(C)C(=O)c2ccc([O-])c(F)c2)c1 ZINC000681020381 543757277 /nfs/dbraw/zinc/75/72/77/543757277.db2.gz XBKZMBDHUDWDEE-UHFFFAOYSA-N -1 1 273.307 3.425 20 0 CGADMM Cc1ccc([C@@H](C)NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681017260 543757444 /nfs/dbraw/zinc/75/74/44/543757444.db2.gz MEGSJPYRYZAZET-LLVKDONJSA-N -1 1 273.307 3.331 20 0 CGADMM C[C@@H](N(C)C(=O)c1ccc([O-])c(F)c1)C(C)(C)C ZINC000681017286 543757997 /nfs/dbraw/zinc/75/79/97/543757997.db2.gz OBVSNVLGWMXRBJ-SECBINFHSA-N -1 1 253.317 3.038 20 0 CGADMM Cc1ccc(CCNC(=O)c2ccc([O-])c(F)c2)c(C)c1 ZINC000681022330 543758286 /nfs/dbraw/zinc/75/82/86/543758286.db2.gz CBSFXKLIKXPFDO-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H](c2ccccc2)C1 ZINC000681036933 543759531 /nfs/dbraw/zinc/75/95/31/543759531.db2.gz HXXSCWKZYOXFLH-AWEZNQCLSA-N -1 1 285.318 3.161 20 0 CGADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681053586 543761713 /nfs/dbraw/zinc/76/17/13/543761713.db2.gz UVETUGWKGOQGNE-GWCFXTLKSA-N -1 1 279.355 3.476 20 0 CGADMM Cc1ccccc1CN[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000683172991 543900623 /nfs/dbraw/zinc/90/06/23/543900623.db2.gz IWZNCLMUKRHOKG-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM Cc1cccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000683172700 543901099 /nfs/dbraw/zinc/90/10/99/543901099.db2.gz GEZUIAOSVIUWAH-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM O=C([O-])c1cccc(CNCc2cccc(Cl)c2F)c1 ZINC000683176402 543901451 /nfs/dbraw/zinc/90/14/51/543901451.db2.gz JGCPKBMPUBSMIJ-UHFFFAOYSA-N -1 1 293.725 3.467 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cccc2ccc(=O)[nH]c21 ZINC000685435846 544070369 /nfs/dbraw/zinc/07/03/69/544070369.db2.gz PVZAUZCVLOXUCI-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684869307 544034866 /nfs/dbraw/zinc/03/48/66/544034866.db2.gz QSRNDZQSYWSGEX-VIFPVBQESA-N -1 1 287.281 3.283 20 0 CGADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccncc1 ZINC000685575110 544086481 /nfs/dbraw/zinc/08/64/81/544086481.db2.gz BJCRCEWXDNCNSF-SSDOTTSWSA-N -1 1 283.303 3.368 20 0 CGADMM CCCc1nc(C)c(CN(CC(=O)[O-])C2CCCCC2)o1 ZINC000652482206 418975423 /nfs/dbraw/zinc/97/54/23/418975423.db2.gz SEGKXQCVPBMEIP-UHFFFAOYSA-N -1 1 294.395 3.155 20 0 CGADMM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCc2sccc2C1 ZINC000652385205 418960196 /nfs/dbraw/zinc/96/01/96/418960196.db2.gz MVWLIKBKTPEEJB-CQSZACIVSA-N -1 1 291.347 3.071 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](C2CCC2)C1 ZINC000665676950 419147113 /nfs/dbraw/zinc/14/71/13/419147113.db2.gz KVKHCTORUCNRBI-NSHDSACASA-N -1 1 279.767 3.308 20 0 CGADMM c1ccc(-c2noc([N-]Cc3nnc(C4CC4)s3)n2)cc1 ZINC000665752703 419158288 /nfs/dbraw/zinc/15/82/88/419158288.db2.gz IATJKHQUQGWOFX-UHFFFAOYSA-N -1 1 299.359 3.078 20 0 CGADMM CCCCN(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000666079765 419187288 /nfs/dbraw/zinc/18/72/88/419187288.db2.gz DIJROOZIHSLLKR-UHFFFAOYSA-N -1 1 284.359 3.345 20 0 CGADMM O=C([O-])C1(c2ccc(-c3cc(C(F)(F)F)n[nH]3)cc2)CC1 ZINC000657202884 419230413 /nfs/dbraw/zinc/23/04/13/419230413.db2.gz BARPPFXZORFVOK-UHFFFAOYSA-N -1 1 296.248 3.212 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]2CCCC[C@H]21 ZINC000132868699 304497889 /nfs/dbraw/zinc/49/78/89/304497889.db2.gz GHJPJAAWAJZMPB-SMDDNHRTSA-N -1 1 277.339 3.326 20 0 CGADMM O=C(NC1CCCCCC1)c1ccc(Cl)cc1[O-] ZINC000036962701 270028452 /nfs/dbraw/zinc/02/84/52/270028452.db2.gz IGDMRNTXXBIDTM-UHFFFAOYSA-N -1 1 267.756 3.498 20 0 CGADMM CCCN(C(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000044490604 270035730 /nfs/dbraw/zinc/03/57/30/270035730.db2.gz JREKMHNXQJGKIZ-UHFFFAOYSA-N -1 1 298.180 3.169 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2c([O-])cccc2F)CC1 ZINC000227312383 270087027 /nfs/dbraw/zinc/08/70/27/270087027.db2.gz IQIAMFXBAANGQP-MNOVXSKESA-N -1 1 265.328 3.230 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])cccc1F)C1CCCCC1 ZINC000228854525 270088183 /nfs/dbraw/zinc/08/81/83/270088183.db2.gz FWIJMNATBACOHV-SNVBAGLBSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1ccccc1Cc1noc(-c2ccc([O-])cc2F)n1 ZINC000230228745 270088957 /nfs/dbraw/zinc/08/89/57/270088957.db2.gz RVLVFYCGGBYPAY-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM C[C@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)C(C)(C)C ZINC000522410352 270106023 /nfs/dbraw/zinc/10/60/23/270106023.db2.gz UJKPYUUIJNDKJC-SECBINFHSA-N -1 1 277.393 3.181 20 0 CGADMM CC(C)C(C)(C)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000526085778 270122691 /nfs/dbraw/zinc/12/26/91/270122691.db2.gz XIRVRHZDNOKKJA-UHFFFAOYSA-N -1 1 295.404 3.393 20 0 CGADMM CCC[C@H](OCC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000528874193 270175094 /nfs/dbraw/zinc/17/50/94/270175094.db2.gz FXHDWISJRYYRRM-LBPRGKRZSA-N -1 1 271.744 3.189 20 0 CGADMM O=C(NCC[C@@H]1CC=CCC1)c1ccc([O-])cc1F ZINC000529865963 270190177 /nfs/dbraw/zinc/19/01/77/270190177.db2.gz DYXAMMFWMLQJLB-LLVKDONJSA-N -1 1 263.312 3.008 20 0 CGADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1cccnc1 ZINC000289560718 287909065 /nfs/dbraw/zinc/90/90/65/287909065.db2.gz PNSUQIBWMFABTI-SSDOTTSWSA-N -1 1 283.303 3.368 20 0 CGADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000399681275 288053669 /nfs/dbraw/zinc/05/36/69/288053669.db2.gz QFFVGUQXKIXNOL-KOLCDFICSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(NC[C@@H]1CC2CCC1CC2)c1ccc([O-])cc1F ZINC000400033138 288054757 /nfs/dbraw/zinc/05/47/57/288054757.db2.gz GZFHHHLQQKMXSR-MCIGGMRASA-N -1 1 277.339 3.087 20 0 CGADMM Cc1cc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)on1 ZINC000336576239 280365573 /nfs/dbraw/zinc/36/55/73/280365573.db2.gz AURLBWGMJKNITJ-UHFFFAOYSA-N -1 1 286.665 3.475 20 0 CGADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530004110 288280832 /nfs/dbraw/zinc/28/08/32/288280832.db2.gz BBYUDGPGBFLEDP-XPTSAGLGSA-N -1 1 251.301 3.152 20 0 CGADMM C[C@@H]1CC(F)(F)CCN1Cc1ccsc1C(=O)[O-] ZINC000530171872 288292119 /nfs/dbraw/zinc/29/21/19/288292119.db2.gz CTDPORJQNCJGBN-MRVPVSSYSA-N -1 1 275.320 3.066 20 0 CGADMM CC(C)c1nc(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cs1 ZINC000530174051 288293121 /nfs/dbraw/zinc/29/31/21/288293121.db2.gz ICMDOMIWPBFQGX-ZSBIGDGJSA-N -1 1 296.436 3.340 20 0 CGADMM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532881884 288372589 /nfs/dbraw/zinc/37/25/89/288372589.db2.gz VPHKKDZZWDXDAI-VXGBXAGGSA-N -1 1 294.395 3.220 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000558807515 289521266 /nfs/dbraw/zinc/52/12/66/289521266.db2.gz KBRUBXXPGUTJNI-PEGIJTEDSA-N -1 1 282.409 3.183 20 0 CGADMM C[C@H]1CC[C@@H](Sc2nc(C(F)(F)F)cc(=O)[n-]2)C1 ZINC000558825386 289521962 /nfs/dbraw/zinc/52/19/62/289521962.db2.gz IDDDIBWODNSXEI-NKWVEPMBSA-N -1 1 278.299 3.482 20 0 CGADMM C[C@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335016893 290469893 /nfs/dbraw/zinc/46/98/93/290469893.db2.gz CHZFDPXAAYCWQL-DTWKUNHWSA-N -1 1 269.291 3.435 20 0 CGADMM Cc1ccccc1[C@@H]1CN(CCCCCC(=O)[O-])CCO1 ZINC000563817091 322011423 /nfs/dbraw/zinc/01/14/23/322011423.db2.gz YQVLYDNOPOMSTJ-INIZCTEOSA-N -1 1 291.391 3.013 20 0 CGADMM COC(C)(C)CCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000565488342 322080075 /nfs/dbraw/zinc/08/00/75/322080075.db2.gz YCSFBLIMIDHSIE-UHFFFAOYSA-N -1 1 296.314 3.108 20 0 CGADMM CCc1nc(CN(C)CCC(C)(C)CC(=O)[O-])cs1 ZINC000568060161 322190500 /nfs/dbraw/zinc/19/05/00/322190500.db2.gz UCUALEGISRTROZ-UHFFFAOYSA-N -1 1 284.425 3.028 20 0 CGADMM Cc1cc(CN(C)Cc2ccc(C(=O)[O-])o2)ccc1F ZINC000568758710 322221285 /nfs/dbraw/zinc/22/12/85/322221285.db2.gz PNHAHXQSONALLH-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM CCN(Cc1cc(C)c(C(=O)[O-])o1)Cc1cccc(F)c1 ZINC000569818829 322257961 /nfs/dbraw/zinc/25/79/61/322257961.db2.gz XERLGDJMARDQTM-UHFFFAOYSA-N -1 1 291.322 3.447 20 0 CGADMM O=C([O-])[C@H](NCc1ccc(F)cc1F)c1cccc(F)c1 ZINC000571235033 322293597 /nfs/dbraw/zinc/29/35/97/322293597.db2.gz HNPNGDMDEZBUGG-CQSZACIVSA-N -1 1 295.260 3.019 20 0 CGADMM CCCCc1nc(CN2CCC[C@@](C)(C(=O)[O-])C2)cs1 ZINC000571290256 322294981 /nfs/dbraw/zinc/29/49/81/322294981.db2.gz AJODWDRZJLMXKO-OAHLLOKOSA-N -1 1 296.436 3.172 20 0 CGADMM Cc1ccc2c(c1)C[N@@H+]([C@H](C(=O)[O-])c1ccccc1)CCO2 ZINC000571658541 322304412 /nfs/dbraw/zinc/30/44/12/322304412.db2.gz LPYVPZADVXOQGN-KRWDZBQOSA-N -1 1 297.354 3.015 20 0 CGADMM Cc1cnc(SCCCC(=O)c2ccccc2)[n-]c1=O ZINC000394221716 329104957 /nfs/dbraw/zinc/10/49/57/329104957.db2.gz NEKDWWKXNMCHGM-UHFFFAOYSA-N -1 1 288.372 3.246 20 0 CGADMM O=C(Nc1cncc2ccccc21)c1cc(F)ccc1[O-] ZINC000396426701 329320267 /nfs/dbraw/zinc/32/02/67/329320267.db2.gz ATBSSCRNLUIUBZ-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1csc(C2CCCC2)n1 ZINC000580456725 330141180 /nfs/dbraw/zinc/14/11/80/330141180.db2.gz OECMNLZDDXHJTN-ZWNOBZJWSA-N -1 1 294.420 3.096 20 0 CGADMM Cc1ccc2c(c1)N(C(=O)c1ccccc1[O-])C[C@H](C)O2 ZINC000175041996 335171803 /nfs/dbraw/zinc/17/18/03/335171803.db2.gz RWQMJJBDOALKKT-LBPRGKRZSA-N -1 1 283.327 3.128 20 0 CGADMM C[C@@H]1CC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000381748157 336072404 /nfs/dbraw/zinc/07/24/04/336072404.db2.gz QSORLVFARWMQCS-QMTHXVAHSA-N -1 1 255.317 3.074 20 0 CGADMM CCN(C[C@@H](C)OC)C(=O)c1cc2ccccc2cc1[O-] ZINC000383064964 336103718 /nfs/dbraw/zinc/10/37/18/336103718.db2.gz COEQPXAVHWHDOO-GFCCVEGCSA-N -1 1 287.359 3.042 20 0 CGADMM CCN(CCC1CC1)C(=O)c1cc(Cl)ccc1[O-] ZINC000385904453 336160931 /nfs/dbraw/zinc/16/09/31/336160931.db2.gz CTVPTEWIYVWTJW-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM C[C@H](CCCC(F)(F)F)NC(=O)c1c([O-])cccc1F ZINC000436824097 533838218 /nfs/dbraw/zinc/83/82/18/533838218.db2.gz YPUXDXRUVBJBOX-MRVPVSSYSA-N -1 1 293.260 3.382 20 0 CGADMM CS[C@@H](C)CCC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000359196548 533898606 /nfs/dbraw/zinc/89/86/06/533898606.db2.gz UBTZQAFAAZOUOI-VIFPVBQESA-N -1 1 295.433 3.030 20 0 CGADMM Cc1cc2cc(CNC(=O)c3cc(F)ccc3[O-])ccc2[nH]1 ZINC000436715861 534090653 /nfs/dbraw/zinc/09/06/53/534090653.db2.gz YWQJLUKYIOROCG-UHFFFAOYSA-N -1 1 298.317 3.251 20 0 CGADMM C[C@@H](CSc1nc(C2CC2)cc(=O)[n-]1)C(F)(F)F ZINC000436255333 534198380 /nfs/dbraw/zinc/19/83/80/534198380.db2.gz XNMXTVSNKXCFCI-LURJTMIESA-N -1 1 278.299 3.350 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)cc1 ZINC000155010172 534211642 /nfs/dbraw/zinc/21/16/42/534211642.db2.gz ASYPXKNURZDREJ-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ncccc3Cl)n2)c(F)c1 ZINC000436784538 534449464 /nfs/dbraw/zinc/44/94/64/534449464.db2.gz QSJTWUPFUFTUBY-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM [O-]c1ccc(-c2noc(CCc3ccoc3)n2)c(Cl)c1 ZINC000445450133 534452149 /nfs/dbraw/zinc/45/21/49/534452149.db2.gz QYSULNWFKOWGFY-UHFFFAOYSA-N -1 1 290.706 3.474 20 0 CGADMM Cc1cnc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)c([O-])c1 ZINC000358781464 534529279 /nfs/dbraw/zinc/52/92/79/534529279.db2.gz SROFBWVZVMBZQS-LLVKDONJSA-N -1 1 298.333 3.041 20 0 CGADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1c([O-])cccc1F ZINC000436517547 534772383 /nfs/dbraw/zinc/77/23/83/534772383.db2.gz OIXFYLAPCUDVEL-IJLUTSLNSA-N -1 1 277.339 3.230 20 0 CGADMM O=C(Nc1cc(F)cc(Cl)c1[O-])c1c(O)cccc1F ZINC000436935471 534820544 /nfs/dbraw/zinc/82/05/44/534820544.db2.gz CFDNVFCKAJJRNG-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM O=C(NCc1ccc(Cl)cc1Cl)c1cncc([O-])c1 ZINC000111538873 526663370 /nfs/dbraw/zinc/66/33/70/526663370.db2.gz SQRPIXUQYDMWKV-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM CC(C)(C)C1CC(NC(=O)c2ccc([O-])cc2F)C1 ZINC000436895024 527627764 /nfs/dbraw/zinc/62/77/64/527627764.db2.gz STOUAUNZSJLLFX-UHFFFAOYSA-N -1 1 265.328 3.086 20 0 CGADMM CC1(CNC(=O)C(=O)c2ccc([O-])cc2)CCCCCC1 ZINC000436995622 527939531 /nfs/dbraw/zinc/93/95/31/527939531.db2.gz BJIAUHQMIXBMAS-UHFFFAOYSA-N -1 1 289.375 3.052 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccc(F)cc2[O-])nc1 ZINC000436985566 528079948 /nfs/dbraw/zinc/07/99/48/528079948.db2.gz CTYOKTJWHXFRHK-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM CC1=CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436766082 528112920 /nfs/dbraw/zinc/11/29/20/528112920.db2.gz ZRVQBQGWAMVLQI-UHFFFAOYSA-N -1 1 285.265 3.203 20 0 CGADMM CCCN(Cc1ccccc1)C(=O)c1ncc(C)cc1[O-] ZINC000358712084 528146132 /nfs/dbraw/zinc/14/61/32/528146132.db2.gz CRMVNOYLOWRQKS-UHFFFAOYSA-N -1 1 284.359 3.148 20 0 CGADMM CCCc1csc(NC(=O)c2cc(F)ccc2[O-])n1 ZINC000436677065 528677712 /nfs/dbraw/zinc/67/77/12/528677712.db2.gz ACKOLFCNMUDPOW-UHFFFAOYSA-N -1 1 280.324 3.193 20 0 CGADMM CC[C@@H](C)Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000436879774 529337878 /nfs/dbraw/zinc/33/78/78/529337878.db2.gz OHVSCKHHTHKEKW-MRVPVSSYSA-N -1 1 250.273 3.170 20 0 CGADMM CC1(C2([N-]S(=O)(=O)c3sccc3Cl)CC2)CC1 ZINC000451995662 535105881 /nfs/dbraw/zinc/10/58/81/535105881.db2.gz YAPSNQBGPNENDM-UHFFFAOYSA-N -1 1 291.825 3.013 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H]2C[C@@H]2C2CCCCC2)s[n-]1 ZINC000509540738 536500806 /nfs/dbraw/zinc/50/08/06/536500806.db2.gz IOXXCCREORGMLO-JLLWLGSASA-N -1 1 281.425 3.048 20 0 CGADMM O=C([N-][C@H]1CCCC[C@@H]1c1ccccc1)C(F)(F)F ZINC000729341333 571900240 /nfs/dbraw/zinc/90/02/40/571900240.db2.gz MBXANVSVMCSNQN-NEPJUHHUSA-N -1 1 271.282 3.391 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC2(CC2)CC1 ZINC000731836829 572429026 /nfs/dbraw/zinc/42/90/26/572429026.db2.gz HJTSQRUZYGFEAA-UHFFFAOYSA-N -1 1 265.740 3.062 20 0 CGADMM C[C@@H]1CCc2ccccc2N1C(=O)c1ccccc1[O-] ZINC000019837785 572434609 /nfs/dbraw/zinc/43/46/09/572434609.db2.gz VOWRMWJCCQDGDK-GFCCVEGCSA-N -1 1 267.328 3.374 20 0 CGADMM Cc1ccc([C@H](C)C(=O)Nc2c([O-])cccc2F)o1 ZINC000743416167 572658600 /nfs/dbraw/zinc/65/86/00/572658600.db2.gz ONIZPJWNMYZQHM-VIFPVBQESA-N -1 1 263.268 3.175 20 0 CGADMM C[C@@H](CNC(=O)c1c([O-])cccc1Cl)C(C)(C)C ZINC000734549850 572665247 /nfs/dbraw/zinc/66/52/47/572665247.db2.gz YEZBEKSSVPVWDS-VIFPVBQESA-N -1 1 269.772 3.458 20 0 CGADMM CCOCCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000744981059 572786557 /nfs/dbraw/zinc/78/65/57/572786557.db2.gz WKKDALHFMFUWJT-UHFFFAOYSA-N -1 1 293.146 3.282 20 0 CGADMM C[C@H](COC(=O)c1c([O-])cc(F)cc1F)C(F)(F)F ZINC000748261925 572971139 /nfs/dbraw/zinc/97/11/39/572971139.db2.gz MMRNGTPOSRAPFL-RXMQYKEDSA-N -1 1 284.180 3.026 20 0 CGADMM Cc1ccc(C)c(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822232065 607310840 /nfs/dbraw/zinc/31/08/40/607310840.db2.gz SAMDPVUCXMZTAA-UHFFFAOYSA-N -1 1 285.376 3.157 20 0 CGADMM O=C([O-])c1cc(F)ccc1CN1CCc2ccccc2C1 ZINC000071264700 600081825 /nfs/dbraw/zinc/08/18/25/600081825.db2.gz YKZLLHQZFMKCKL-UHFFFAOYSA-N -1 1 285.318 3.082 20 0 CGADMM CC[C@@H](C(=O)[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000828603118 600998745 /nfs/dbraw/zinc/99/87/45/600998745.db2.gz CBUIGPNMRJKNBC-AWEZNQCLSA-N -1 1 292.766 3.043 20 0 CGADMM C[C@H]1CN(Cc2cc(C(=O)[O-])co2)[C@H]1c1ccccc1 ZINC000828455665 601179062 /nfs/dbraw/zinc/17/90/62/601179062.db2.gz DVCVUHIOUFPTFB-XHDPSFHLSA-N -1 1 271.316 3.171 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000830369218 601413612 /nfs/dbraw/zinc/41/36/12/601413612.db2.gz LLASGYSITMNLJZ-ZDUSSCGKSA-N -1 1 288.347 3.205 20 0 CGADMM CC(C)(C)c1n[nH]c(SCc2ccsc2C(=O)[O-])n1 ZINC000713472056 601808592 /nfs/dbraw/zinc/80/85/92/601808592.db2.gz RYAPBAPEXCNXNA-UHFFFAOYSA-N -1 1 297.405 3.154 20 0 CGADMM CC(C)(C)c1nc(SCc2ccsc2C(=O)[O-])n[nH]1 ZINC000713472056 601808594 /nfs/dbraw/zinc/80/85/94/601808594.db2.gz RYAPBAPEXCNXNA-UHFFFAOYSA-N -1 1 297.405 3.154 20 0 CGADMM CCc1[n-]n(-c2cccc(C)c2Cl)c(=O)c1F ZINC000899362418 620668838 /nfs/dbraw/zinc/66/88/38/620668838.db2.gz SRBZEWZCFCAFKY-NSHDSACASA-N -1 1 254.692 3.099 20 0 CGADMM Cc1ccc(CNCc2ccc([C@H](C)NC(=O)[O-])cc2)o1 ZINC000830324994 604413720 /nfs/dbraw/zinc/41/37/20/604413720.db2.gz WIVQAQHZIZCBRR-LBPRGKRZSA-N -1 1 288.347 3.206 20 0 CGADMM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2ccoc2)cc1 ZINC000825502848 605118728 /nfs/dbraw/zinc/11/87/28/605118728.db2.gz LMDMUVULKPZGIA-NWDGAFQWSA-N -1 1 288.347 3.459 20 0 CGADMM CC(C)(C(=O)[O-])[C@@H](NCc1nccs1)c1ccccc1 ZINC000833416098 605181125 /nfs/dbraw/zinc/18/11/25/605181125.db2.gz WORWOQJRHFIKDY-ZDUSSCGKSA-N -1 1 290.388 3.085 20 0 CGADMM CCCC[C@H](CNC(=O)[O-])N[C@@H](C)c1nc(C)sc1C ZINC000826806990 605513706 /nfs/dbraw/zinc/51/37/06/605513706.db2.gz SCILVRJLQLWDBD-JOYOIKCWSA-N -1 1 299.440 3.237 20 0 CGADMM CC(C)[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2F)CCS1 ZINC000707314169 605834421 /nfs/dbraw/zinc/83/44/21/605834421.db2.gz OMYTWYICMSYOSR-AWEZNQCLSA-N -1 1 297.395 3.097 20 0 CGADMM Cc1sc(CNCc2c(C)cccc2C)nc1C(=O)[O-] ZINC000900064040 620757109 /nfs/dbraw/zinc/75/71/09/620757109.db2.gz HIEFZAQHGBYLRI-UHFFFAOYSA-N -1 1 290.388 3.056 20 0 CGADMM CCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000013938683 618192530 /nfs/dbraw/zinc/19/25/30/618192530.db2.gz HZZILAGUXFQJND-SNVBAGLBSA-N -1 1 291.363 3.212 20 0 CGADMM CC[C@@H]1CCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900536947 620797675 /nfs/dbraw/zinc/79/76/75/620797675.db2.gz BFCWCRFKBDBTLE-SNVBAGLBSA-N -1 1 288.322 3.094 20 0 CGADMM Cc1oc(NC(=O)c2ccc(C)cc2[O-])nc1C1CC1 ZINC000892504355 618817868 /nfs/dbraw/zinc/81/78/68/618817868.db2.gz NFUCBNQHGYCUJE-UHFFFAOYSA-N -1 1 272.304 3.127 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(Cl)s1 ZINC000235828487 618828330 /nfs/dbraw/zinc/82/83/30/618828330.db2.gz CLERXCLUCWLAOL-UHFFFAOYSA-N -1 1 285.752 3.291 20 0 CGADMM Cc1cc(CN[C@@H]2CCCc3ccccc32)oc1C(=O)[O-] ZINC000235972829 618833908 /nfs/dbraw/zinc/83/39/08/618833908.db2.gz FPWXNVSPRDCXRF-OAHLLOKOSA-N -1 1 285.343 3.453 20 0 CGADMM C[Si](C)(C)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000195011611 619145221 /nfs/dbraw/zinc/14/52/21/619145221.db2.gz HDQHLPOYZAEUJK-UHFFFAOYSA-N -1 1 298.484 3.034 20 0 CGADMM C[Si](C)(C)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000195011611 619145224 /nfs/dbraw/zinc/14/52/24/619145224.db2.gz HDQHLPOYZAEUJK-UHFFFAOYSA-N -1 1 298.484 3.034 20 0 CGADMM Cn1cc([N-]c2nc3ccc(F)cc3o2)c(C2CC2)n1 ZINC000893929057 619334718 /nfs/dbraw/zinc/33/47/18/619334718.db2.gz CGFYZICRHMDTPR-UHFFFAOYSA-N -1 1 272.283 3.321 20 0 CGADMM CSC1(c2noc(Cc3ccc([O-])c(Cl)c3)n2)CC1 ZINC000896775522 620062558 /nfs/dbraw/zinc/06/25/58/620062558.db2.gz XBINSEWBOWNZQW-UHFFFAOYSA-N -1 1 296.779 3.372 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896805428 620067074 /nfs/dbraw/zinc/06/70/74/620067074.db2.gz AWYZDXFZJPZFND-SSDOTTSWSA-N -1 1 289.093 3.243 20 0 CGADMM CC(C)[C@@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896944661 620110314 /nfs/dbraw/zinc/11/03/14/620110314.db2.gz QJYBHRHBWXOZGR-CYBMUJFWSA-N -1 1 299.370 3.369 20 0 CGADMM [O-]c1ccc(Cc2nc(CCCCF)no2)cc1Cl ZINC000897198810 620159240 /nfs/dbraw/zinc/15/92/40/620159240.db2.gz LDHYHRMSGVEHAY-UHFFFAOYSA-N -1 1 284.718 3.312 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)NC[C@]12C[C@H]1CCC2 ZINC000923982060 620199238 /nfs/dbraw/zinc/19/92/38/620199238.db2.gz FULXIBPUDHXNJI-ABAIWWIYSA-N -1 1 294.782 3.035 20 0 CGADMM C[C@]1(c2noc(Cc3ccc([O-])c(Cl)c3)n2)CCCO1 ZINC000866957276 620310187 /nfs/dbraw/zinc/31/01/87/620310187.db2.gz KKBXZRPDXSKUIO-CQSZACIVSA-N -1 1 294.738 3.045 20 0 CGADMM C[C@H](C(=O)[N-]Oc1ccc(F)cc1)C1CCCC1 ZINC000898573795 620596975 /nfs/dbraw/zinc/59/69/75/620596975.db2.gz RPQULVANPSMCFS-JTQLQIEISA-N -1 1 251.301 3.062 20 0 CGADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000901027546 620827046 /nfs/dbraw/zinc/82/70/46/620827046.db2.gz VBZBRUNKHGKSRH-NXEZZACHSA-N -1 1 288.322 3.093 20 0 CGADMM COC/C(C)=C/CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000901589114 620937388 /nfs/dbraw/zinc/93/73/88/620937388.db2.gz YDTIKDCZQADQPW-RMKNXTFCSA-N -1 1 280.393 3.053 20 0 CGADMM Cc1ccsc1CN[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000901667033 620974623 /nfs/dbraw/zinc/97/46/23/620974623.db2.gz VJEMOQFTCPIJAN-INIZCTEOSA-N -1 1 287.384 3.072 20 0 CGADMM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NCc1ccco1 ZINC000901848378 621051028 /nfs/dbraw/zinc/05/10/28/621051028.db2.gz QVOQYZPBMVQOKS-YOEHRIQHSA-N -1 1 299.370 3.333 20 0 CGADMM Cc1cc(CN(C)[C@H](Cc2ccccc2)C(=O)[O-])c(C)o1 ZINC000902005242 621095684 /nfs/dbraw/zinc/09/56/84/621095684.db2.gz CPCUNYLDKNXHEY-MRXNPFEDSA-N -1 1 287.359 3.024 20 0 CGADMM CCc1oc(CN[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000902050164 621117145 /nfs/dbraw/zinc/11/71/45/621117145.db2.gz WUXQWGABTTWBOV-NSHDSACASA-N -1 1 273.332 3.391 20 0 CGADMM Cc1oc(CNCc2ccc(C)cc2C)cc1C(=O)[O-] ZINC000902104967 621137843 /nfs/dbraw/zinc/13/78/43/621137843.db2.gz FYAHWCRFDYOVMS-UHFFFAOYSA-N -1 1 273.332 3.193 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CNC1(c2cccc(F)c2)CC1 ZINC000902294145 621231889 /nfs/dbraw/zinc/23/18/89/621231889.db2.gz CODZAHAYJQMRKH-UHFFFAOYSA-N -1 1 289.306 3.204 20 0 CGADMM Cc1ccc(C2(NCc3ccc(C(=O)[O-])o3)CCC2)cc1 ZINC000902308924 621249052 /nfs/dbraw/zinc/24/90/52/621249052.db2.gz GOHCAYMKFCZSQU-UHFFFAOYSA-N -1 1 285.343 3.455 20 0 CGADMM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1NCC(F)(F)C(C)(C)C ZINC000902470904 621341525 /nfs/dbraw/zinc/34/15/25/621341525.db2.gz TTZUJQIIOCCVCF-VWYCJHECSA-N -1 1 277.355 3.147 20 0 CGADMM C[C@@H]1C[C@H](C)CN1Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903893791 621827473 /nfs/dbraw/zinc/82/74/73/621827473.db2.gz IIDRUXNXWJWMCE-JGVFFNPUSA-N -1 1 291.269 3.227 20 0 CGADMM Cc1coc(CN[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000904014339 621850351 /nfs/dbraw/zinc/85/03/51/621850351.db2.gz PVHPCPXILWEQDA-CQSZACIVSA-N -1 1 265.353 3.101 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cc(C(F)(F)F)ccc2F)S1 ZINC000149341094 622290059 /nfs/dbraw/zinc/29/00/59/622290059.db2.gz QGFKWGOVAPJFTK-YWEYNIOJSA-N -1 1 291.225 3.168 20 0 CGADMM C/C=C(/CC)C(=O)Nc1cccc([O-])c1Br ZINC000908708723 622369181 /nfs/dbraw/zinc/36/91/81/622369181.db2.gz BNOXDUQVDIXHTE-BAQGIRSFSA-N -1 1 284.153 3.450 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)C1CC=CC1 ZINC000908713411 622369641 /nfs/dbraw/zinc/36/96/41/622369641.db2.gz SEHHSZRJGAHEDM-UHFFFAOYSA-N -1 1 282.137 3.059 20 0 CGADMM C[C@H]1CC/C(=C\C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909981978 622444710 /nfs/dbraw/zinc/44/47/10/622444710.db2.gz CCQIEMRRIUOQTK-MOIHINDBSA-N -1 1 267.275 3.355 20 0 CGADMM CO[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)C1CCCCC1 ZINC000909988550 622445942 /nfs/dbraw/zinc/44/59/42/622445942.db2.gz PMEINDJMODDORQ-CQSZACIVSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C1(C(F)(F)F)CCC1 ZINC000910985981 622513321 /nfs/dbraw/zinc/51/33/21/622513321.db2.gz DKYGGZPVJXOXBM-UHFFFAOYSA-N -1 1 295.207 3.342 20 0 CGADMM COc1ccc(C)cc1[C@@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000226599118 622981951 /nfs/dbraw/zinc/98/19/51/622981951.db2.gz UBMJPFXKLAVIRC-MRVPVSSYSA-N -1 1 293.260 3.081 20 0 CGADMM Cc1ccc(CN[C@]2(C(=O)[O-])CCc3ccccc32)s1 ZINC000050227150 623041630 /nfs/dbraw/zinc/04/16/30/623041630.db2.gz MJANRTBHWINPRL-MRXNPFEDSA-N -1 1 287.384 3.072 20 0 CGADMM Cc1cccc(COC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000063543472 623333511 /nfs/dbraw/zinc/33/35/11/623333511.db2.gz WMJCJHRLJUWGJP-UHFFFAOYSA-N -1 1 278.254 3.336 20 0 CGADMM Cc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1F ZINC000917348246 624262039 /nfs/dbraw/zinc/26/20/39/624262039.db2.gz ZPUHCKHTMWANIM-SECBINFHSA-N -1 1 261.083 3.054 20 0 CGADMM Cc1c(=O)[n-]c(S[C@H](C)[C@H](C)O)nc1-c1ccccc1 ZINC000917468126 624274579 /nfs/dbraw/zinc/27/45/79/624274579.db2.gz 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/nfs/dbraw/zinc/56/72/60/626567260.db2.gz XFLGXUKYPSQPMX-GHMZBOCLSA-N -1 1 283.318 3.289 20 0 CGADMM O=C([O-])c1ccc(CNCc2coc3ccccc23)o1 ZINC000756284758 626688998 /nfs/dbraw/zinc/68/89/98/626688998.db2.gz DAQFFHBHSSFCQG-UHFFFAOYSA-N -1 1 271.272 3.014 20 0 CGADMM CC[C@@H](C)Oc1cc(C)ccc1C[N-]C(=O)C(F)(F)F ZINC000756999250 626746436 /nfs/dbraw/zinc/74/64/36/626746436.db2.gz USJZFBBMIAQJLS-SNVBAGLBSA-N -1 1 289.297 3.351 20 0 CGADMM C[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)CCS1 ZINC000757645157 626796850 /nfs/dbraw/zinc/79/68/50/626796850.db2.gz JKBOVLATLRCTQU-VIFPVBQESA-N -1 1 285.796 3.013 20 0 CGADMM CC(C)(C)c1ccc(CCC(=O)[N-]OCC(F)F)cc1 ZINC000759325142 626887848 /nfs/dbraw/zinc/88/78/48/626887848.db2.gz VAXQFXKVDDAZAZ-UHFFFAOYSA-N -1 1 285.334 3.230 20 0 CGADMM CCN(C(=O)c1c([O-])cccc1Cl)C1CCCC1 ZINC000769709959 627573857 /nfs/dbraw/zinc/57/38/57/627573857.db2.gz LHOJQYJODNQJST-UHFFFAOYSA-N -1 1 267.756 3.450 20 0 CGADMM CC(C)C([N-]S(=O)(=O)c1cc2ccccc2o1)C(C)C ZINC000769921919 627589689 /nfs/dbraw/zinc/58/96/89/627589689.db2.gz DSXWRBLFZYMRBQ-UHFFFAOYSA-N -1 1 295.404 3.392 20 0 CGADMM O=C(Nc1nc(Br)ccc1[O-])C1CCCCC1 ZINC000771571778 627720896 /nfs/dbraw/zinc/72/08/96/627720896.db2.gz FJSPHFDWKVMCCS-UHFFFAOYSA-N -1 1 299.168 3.069 20 0 CGADMM Cc1ccc(COC(=O)c2c([O-])cc(F)cc2F)c(C)n1 ZINC000772063311 627758885 /nfs/dbraw/zinc/75/88/85/627758885.db2.gz HKAGQDGWKNCTFN-UHFFFAOYSA-N -1 1 293.269 3.039 20 0 CGADMM C/C(=C/C(C)(C)C)C(=O)Nc1c([O-])cccc1F ZINC000773495063 627890402 /nfs/dbraw/zinc/89/04/02/627890402.db2.gz BUSYKGRPRSAZHU-HJWRWDBZSA-N -1 1 251.301 3.462 20 0 CGADMM C[C@H]1CCCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000775159087 628067895 /nfs/dbraw/zinc/06/78/95/628067895.db2.gz HPMVRMSFFMUYNU-JTQLQIEISA-N -1 1 267.756 3.308 20 0 CGADMM O=C(NOC1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000779322242 628407431 /nfs/dbraw/zinc/40/74/31/628407431.db2.gz QZVBYNGNBZPSFQ-UHFFFAOYSA-N -1 1 269.728 3.040 20 0 CGADMM O=C([N-]OCc1ccccc1)C1(Cc2ccc(F)cc2)CC1 ZINC000783522489 628721239 /nfs/dbraw/zinc/72/12/39/628721239.db2.gz RWOQZOYYADFPHN-UHFFFAOYSA-N -1 1 299.345 3.396 20 0 CGADMM C[C@@H]1CCC[C@@H](C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000789930032 629174893 /nfs/dbraw/zinc/17/48/93/629174893.db2.gz NRLFTDMZYDYNGW-RKDXNWHRSA-N -1 1 268.744 3.205 20 0 CGADMM CC1(C)CCN(C(=O)c2c([O-])cccc2Cl)CCS1 ZINC000790142242 629186676 /nfs/dbraw/zinc/18/66/76/629186676.db2.gz UVSMJXRUXATTDE-UHFFFAOYSA-N -1 1 299.823 3.403 20 0 CGADMM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1c([O-])cccc1Cl ZINC000862374540 629356731 /nfs/dbraw/zinc/35/67/31/629356731.db2.gz NOXKETOVBFLDHQ-OUAUKWLOSA-N -1 1 279.767 3.212 20 0 CGADMM CC[C@H](C)CC[C@@H](O)CC(=O)Nc1cccc(F)c1[O-] ZINC000863008610 629459356 /nfs/dbraw/zinc/45/93/56/629459356.db2.gz YKEDOQVHOIOZNP-WDEREUQCSA-N -1 1 283.343 3.047 20 0 CGADMM CCCOc1ccc(NC(=O)c2cncc([O-])c2)cc1C ZINC000863530624 629599660 /nfs/dbraw/zinc/59/96/60/629599660.db2.gz ZAQXIQBKBMEDLN-UHFFFAOYSA-N -1 1 286.331 3.137 20 0 CGADMM C[C@]12CCCC[C@H]1CN2C(=O)c1c([O-])cccc1Cl ZINC000863589088 629611512 /nfs/dbraw/zinc/61/15/12/629611512.db2.gz WSCUQPPKHRPKBW-BONVTDFDSA-N -1 1 279.767 3.450 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CCCC2(CC2)C1 ZINC000888689780 634758570 /nfs/dbraw/zinc/75/85/70/634758570.db2.gz NTHOPEGGANGKFD-LBPRGKRZSA-N -1 1 293.794 3.427 20 0 CGADMM CCCc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000798154528 630027202 /nfs/dbraw/zinc/02/72/02/630027202.db2.gz IUPLALGLLYMQIC-UHFFFAOYSA-N -1 1 283.327 3.166 20 0 CGADMM CCc1cc(=O)[n-]c(SCOC2CCCCC2)n1 ZINC000865363734 630075580 /nfs/dbraw/zinc/07/55/80/630075580.db2.gz UTMRDSULVPDQEQ-UHFFFAOYSA-N -1 1 268.382 3.144 20 0 CGADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)C(C)(C)C ZINC000865368207 630078737 /nfs/dbraw/zinc/07/87/37/630078737.db2.gz NEWBSYAVYDGSOQ-ZCFIWIBFSA-N -1 1 290.335 3.216 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1sccc1Cl ZINC000803172242 630450821 /nfs/dbraw/zinc/45/08/21/630450821.db2.gz LBHKPSYQKPZGRI-UHFFFAOYSA-N -1 1 289.143 3.408 20 0 CGADMM CC(C)(NC(=O)c1c([O-])cccc1Cl)C1CCC1 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CC[C@H](C)CONC(=O)c1cc2ccccc2cc1[O-] ZINC000816979778 632068983 /nfs/dbraw/zinc/06/89/83/632068983.db2.gz WXKKDKCXYIPGME-NSHDSACASA-N -1 1 273.332 3.253 20 0 CGADMM CCC(=CC(=O)Nc1c(C)[n-][nH]c1=O)c1ccc(C)cc1 ZINC000820402406 632618969 /nfs/dbraw/zinc/61/89/69/632618969.db2.gz KIAFVZCPMSEJQA-FMIVXFBMSA-N -1 1 285.347 3.164 20 0 CGADMM CCC(=CC(=O)Nc1c(C)[n-][nH]c1=O)c1ccc(C)cc1 ZINC000820402412 632619046 /nfs/dbraw/zinc/61/90/46/632619046.db2.gz KIAFVZCPMSEJQA-XFXZXTDPSA-N -1 1 285.347 3.164 20 0 CGADMM COc1cnc(C=Cc2ccccc2C(F)(F)F)[n-]c1=O ZINC000821013263 632711359 /nfs/dbraw/zinc/71/13/59/632711359.db2.gz XLISSCILGFSZDT-SREVYHEPSA-N -1 1 296.248 3.380 20 0 CGADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000869445719 633445466 /nfs/dbraw/zinc/44/54/66/633445466.db2.gz JYCXHDYKTAAMKK-RKDXNWHRSA-N -1 1 251.301 3.152 20 0 CGADMM CCC(F)(F)C(=O)[N-]Cc1ccsc1C(F)(F)F ZINC000869617328 633488733 /nfs/dbraw/zinc/48/87/33/633488733.db2.gz SFTJIUBBQZGUJW-UHFFFAOYSA-N -1 1 287.253 3.428 20 0 CGADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000828851554 633660752 /nfs/dbraw/zinc/66/07/52/633660752.db2.gz YWKPMZGXPDHMEM-JHEVNIALSA-N -1 1 293.794 3.344 20 0 CGADMM CCCc1nc(-c2nc3ccc(OCC)cc3c(=O)[n-]2)co1 ZINC000871602518 633802034 /nfs/dbraw/zinc/80/20/34/633802034.db2.gz RFPIVGMZLYYWCQ-UHFFFAOYSA-N -1 1 299.330 3.342 20 0 CGADMM Cc1cnc(SCc2cc(C(F)(F)F)co2)[n-]c1=O ZINC000871673746 633820615 /nfs/dbraw/zinc/82/06/15/633820615.db2.gz NUASMCRMFOLFEP-UHFFFAOYSA-N -1 1 290.266 3.395 20 0 CGADMM CC(C)OC1(c2nc(-c3ccc([O-])cc3F)no2)CCC1 ZINC000871842582 633888592 /nfs/dbraw/zinc/88/85/92/633888592.db2.gz MAMMCBBTOASSOA-UHFFFAOYSA-N -1 1 292.310 3.386 20 0 CGADMM C[C@H](c1ccncc1)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871958902 633928471 /nfs/dbraw/zinc/92/84/71/633928471.db2.gz HLUVCSBGHYEKIS-YPMHNXCESA-N -1 1 271.364 3.167 20 0 CGADMM CC[C@@H]1CN(Cc2ccc(C)c(C(=O)[O-])c2)[C@H](CC)CO1 ZINC000872158337 634069066 /nfs/dbraw/zinc/06/90/66/634069066.db2.gz ANNHRABKBFJPND-HUUCEWRRSA-N -1 1 291.391 3.083 20 0 CGADMM CO[C@@H]1CC[C@@H](C)N(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000872160747 634070550 /nfs/dbraw/zinc/07/05/50/634070550.db2.gz JDULYRYBMRMUKD-ZWNOBZJWSA-N -1 1 297.782 3.038 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)NOC1CCCCC1 ZINC000872979602 634226404 /nfs/dbraw/zinc/22/64/04/634226404.db2.gz UGGRPQVGZHZBQV-UHFFFAOYSA-N -1 1 298.770 3.109 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CCC(F)(F)C1 ZINC000834825482 634249591 /nfs/dbraw/zinc/24/95/91/634249591.db2.gz KYAZKRQNILTKJI-SECBINFHSA-N -1 1 289.709 3.097 20 0 CGADMM Cc1ccc([S@@](=O)C=C([O-])c2cc(C)n(C)c2C)s1 ZINC000840880929 635071981 /nfs/dbraw/zinc/07/19/81/635071981.db2.gz XOOSDLAXLXAOGD-IBGZPJMESA-N -1 1 295.429 3.002 20 0 CGADMM O=c1cc(C(F)(F)F)nc(SC/C=C/Cl)[n-]1 ZINC000126992478 635424786 /nfs/dbraw/zinc/42/47/86/635424786.db2.gz QJDPDQHFJPPURS-OWOJBTEDSA-N -1 1 270.663 3.046 20 0 CGADMM CC(C)=CCC[C@H](C)CC(=O)[N-]OCC(F)(F)F ZINC000843828545 635786589 /nfs/dbraw/zinc/78/65/89/635786589.db2.gz VQLNTJOLXJIVSS-JTQLQIEISA-N -1 1 267.291 3.369 20 0 CGADMM O=C(NCC1CCC(F)CC1)c1c([O-])cccc1Cl ZINC000844097460 635821763 /nfs/dbraw/zinc/82/17/63/635821763.db2.gz QDGKSPXSICHAPV-UHFFFAOYSA-N -1 1 285.746 3.304 20 0 CGADMM CC1(C)CC[C@H](CC(=O)Nc2ccc([O-])c(F)c2F)OC1 ZINC000880237008 635946762 /nfs/dbraw/zinc/94/67/62/635946762.db2.gz OJHKVEGZWZZLKB-SECBINFHSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(C[C@@H]1C[C@H]1C1CC1)Nc1ccc([O-])c(F)c1F ZINC000880236583 635946920 /nfs/dbraw/zinc/94/69/20/635946920.db2.gz CDVJEOSQZPXYIS-IUCAKERBSA-N -1 1 267.275 3.045 20 0 CGADMM O=C(CCc1cccc2ccccc21)[N-]OCC(F)F ZINC000867409576 636170161 /nfs/dbraw/zinc/17/01/61/636170161.db2.gz XCGWFTDSGIYNAT-UHFFFAOYSA-N -1 1 279.286 3.085 20 0 CGADMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676464 637283936 /nfs/dbraw/zinc/28/39/36/637283936.db2.gz OJGPDQJFDAQIKM-APPZFPTMSA-N -1 1 299.729 3.129 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1=CCCC1 ZINC000885676148 637284575 /nfs/dbraw/zinc/28/45/75/637284575.db2.gz KDUQNBFEQBRGMU-UHFFFAOYSA-N -1 1 255.676 3.234 20 0 CGADMM CCOC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCC1 ZINC000885680286 637286007 /nfs/dbraw/zinc/28/60/07/637286007.db2.gz OOLUTZXQBBCXAT-UHFFFAOYSA-N -1 1 287.718 3.082 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC1CCC=CCC1 ZINC000886011768 637360385 /nfs/dbraw/zinc/36/03/85/637360385.db2.gz NZRLJVJFUUXJEH-UHFFFAOYSA-N -1 1 293.794 3.451 20 0 CGADMM C[C@H](C(=O)NCCc1c(F)cc([O-])cc1F)C(C)(C)C ZINC000886264878 637471883 /nfs/dbraw/zinc/47/18/83/637471883.db2.gz OSGCGPHOIRLQRX-SECBINFHSA-N -1 1 285.334 3.011 20 0 CGADMM CC(C(=O)NCCc1c(F)cc([O-])cc1F)=C1CCCC1 ZINC000886266749 637473678 /nfs/dbraw/zinc/47/36/78/637473678.db2.gz XJBMYJKXTBVQKC-UHFFFAOYSA-N -1 1 295.329 3.220 20 0 CGADMM CC(C)(C(=O)Nc1cc(F)c([O-])cc1Cl)C(F)F ZINC000885678315 638048072 /nfs/dbraw/zinc/04/80/72/638048072.db2.gz MUUIUDGUHWNAIL-UHFFFAOYSA-N -1 1 281.661 3.415 20 0 CGADMM CC[C@H](C)[C@H](OC)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678762 638049050 /nfs/dbraw/zinc/04/90/50/638049050.db2.gz VOUHHHRUJULLDK-MADCSZMMSA-N -1 1 289.734 3.184 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1C[C@@H]2CCCC[C@@H]21 ZINC000855060525 638138720 /nfs/dbraw/zinc/13/87/20/638138720.db2.gz LBYBAURWKMDZRW-ONGXEEELSA-N -1 1 265.740 3.060 20 0 CGADMM CC[C@](C)(NC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000855879186 638271554 /nfs/dbraw/zinc/27/15/54/638271554.db2.gz IIEPDBUDCHPWCF-AWEZNQCLSA-N -1 1 267.756 3.354 20 0 CGADMM CCC(F)(F)C(=O)[N-]CC(F)(F)c1ccc(F)cc1 ZINC000856156449 638307712 /nfs/dbraw/zinc/30/77/12/638307712.db2.gz RAGIOILYLFFFRH-UHFFFAOYSA-N -1 1 281.224 3.079 20 0 CGADMM COCC1(NC(=O)c2c([O-])cccc2Cl)CCCCC1 ZINC000856455219 638360650 /nfs/dbraw/zinc/36/06/50/638360650.db2.gz RZRWCGOBWFFALW-UHFFFAOYSA-N -1 1 297.782 3.125 20 0 CGADMM O=C([N-]C1(c2ccc(C(F)(F)F)cc2)CCC1)C(F)F ZINC000857347404 638495716 /nfs/dbraw/zinc/49/57/16/638495716.db2.gz CMHDBCRHHKBAHV-UHFFFAOYSA-N -1 1 293.235 3.466 20 0 CGADMM CC[C@H]1CCC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858419567 638711400 /nfs/dbraw/zinc/71/14/00/638711400.db2.gz ODZRCOBZGRLXQX-DTWKUNHWSA-N -1 1 255.749 3.216 20 0 CGADMM CCO[C@H](CCNc1cc(Cl)[n-]c(=O)n1)C1CCCC1 ZINC000858433000 638716761 /nfs/dbraw/zinc/71/67/61/638716761.db2.gz ZLZRVZIWBJZMRK-LLVKDONJSA-N -1 1 299.802 3.233 20 0 CGADMM CCS[C@H]1CCCC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858437856 638718759 /nfs/dbraw/zinc/71/87/59/638718759.db2.gz OCTZEEQCPZCNRX-BDAKNGLRSA-N -1 1 287.816 3.312 20 0 CGADMM CC(C)(C)[C@@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858524063 638754609 /nfs/dbraw/zinc/75/46/09/638754609.db2.gz CWKWZZWZVQEVGP-SECBINFHSA-N -1 1 269.776 3.098 20 0 CGADMM CC(C)(C)[C@H]1CCC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858569795 638994768 /nfs/dbraw/zinc/99/47/68/638994768.db2.gz NYXFPHZQJKJPCQ-DTWKUNHWSA-N -1 1 269.776 3.462 20 0 CGADMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(CCO)cc1 ZINC000191303647 640302310 /nfs/dbraw/zinc/30/23/10/640302310.db2.gz GIKLRTZFYWRUKC-UHFFFAOYSA-N -1 1 295.741 3.332 20 0 CGADMM CS(=O)(=O)c1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001250522919 805672754 /nfs/dbraw/zinc/67/27/54/805672754.db2.gz DXGNBXHMNRUXGT-UHFFFAOYSA-N -1 1 282.748 3.116 20 0 CGADMM COc1ncccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001250533600 805681795 /nfs/dbraw/zinc/68/17/95/805681795.db2.gz XEYUGGKPGXUDQM-UHFFFAOYSA-N -1 1 269.222 3.482 20 0 CGADMM COc1ccc(-c2cc(F)c([O-])c(F)c2)c(OC)c1 ZINC001250618001 805728551 /nfs/dbraw/zinc/72/85/51/805728551.db2.gz PEYJRKZRYCNTTK-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM COc1cc2[nH]c(-c3ccccc3C(=O)[O-])nc2cc1C ZINC001250880286 805792682 /nfs/dbraw/zinc/79/26/82/805792682.db2.gz WJPOKABKEBQMHQ-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM [O-]c1cc(F)c(F)cc1-c1nc2c(cccc2F)[nH]1 ZINC001250967146 805810304 /nfs/dbraw/zinc/81/03/04/805810304.db2.gz LNEZZFMIBGNGDP-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM Cc1cc2nc(-c3cc(C(=O)[O-])ccc3O)[nH]c2cc1F ZINC001251023240 805831285 /nfs/dbraw/zinc/83/12/85/805831285.db2.gz KMHUCTCTHTUOPT-UHFFFAOYSA-N -1 1 286.262 3.081 20 0 CGADMM Cc1cc2nc(-c3ccccc3OCC(=O)[O-])[nH]c2c(C)c1 ZINC001251041786 805835727 /nfs/dbraw/zinc/83/57/27/805835727.db2.gz AHFPUAFYOZRKHR-UHFFFAOYSA-N -1 1 296.326 3.310 20 0 CGADMM CC(=O)c1ccc2c(c1)nc(-c1cccc([O-])c1F)n2C ZINC001251255487 805872672 /nfs/dbraw/zinc/87/26/72/805872672.db2.gz NSXRPPHZPYHOEQ-UHFFFAOYSA-N -1 1 284.290 3.288 20 0 CGADMM Cn1c2ccccc2nc1-c1c([O-])ccc(F)c1F ZINC001251318894 805881323 /nfs/dbraw/zinc/88/13/23/805881323.db2.gz BJTKNHKAHOWRAA-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CCc1ccc(C(=O)Nc2nn(C)c3ccccc32)c([O-])c1 ZINC001159256511 806067878 /nfs/dbraw/zinc/06/78/78/806067878.db2.gz DYSQIMPJGOQXOL-UHFFFAOYSA-N -1 1 295.342 3.094 20 0 CGADMM [O-]c1cc(NC[C@H](O)c2ccc(F)cc2)c(F)cc1Cl ZINC001252851613 806132846 /nfs/dbraw/zinc/13/28/46/806132846.db2.gz GKIGMIUSGNDKSI-AWEZNQCLSA-N -1 1 299.704 3.469 20 0 CGADMM CCCCS(=O)(=O)[N-]c1cc2ccccc2cc1O ZINC001253849162 806316120 /nfs/dbraw/zinc/31/61/20/806316120.db2.gz MQKLUKFSIYGYCH-UHFFFAOYSA-N -1 1 279.361 3.087 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2scnc2c1 ZINC001161046076 806341214 /nfs/dbraw/zinc/34/12/14/806341214.db2.gz GXMBHVOLGONIAK-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1cc(F)c(C)c(F)c1 ZINC001254601668 806458980 /nfs/dbraw/zinc/45/89/80/806458980.db2.gz BIBPPUBRXSJJSV-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CCOc1ccc(-c2nnc(C3CCC3)o2)c([O-])c1 ZINC001255161754 806560134 /nfs/dbraw/zinc/56/01/34/806560134.db2.gz VSBYGVGINDSWAV-UHFFFAOYSA-N -1 1 260.293 3.108 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN(C)CCC(F)(F)F ZINC000155988258 799064190 /nfs/dbraw/zinc/06/41/90/799064190.db2.gz DKAOWNCNGVHISD-UHFFFAOYSA-N -1 1 281.299 3.139 20 0 CGADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cccc(Cl)c1F ZINC000235361297 799143960 /nfs/dbraw/zinc/14/39/60/799143960.db2.gz SDZVQSIWHCWCIW-NXEZZACHSA-N -1 1 285.746 3.164 20 0 CGADMM CCC[C@H](NC(=O)c1c([O-])cccc1F)C1CCC1 ZINC000325197014 799248572 /nfs/dbraw/zinc/24/85/72/799248572.db2.gz GPXUSPDTMYIEDK-LBPRGKRZSA-N -1 1 265.328 3.230 20 0 CGADMM COc1cccc([O-])c1-c1nc(-c2ccccc2C)no1 ZINC000405259581 799582696 /nfs/dbraw/zinc/58/26/96/799582696.db2.gz NXIVFUGKIANTEF-UHFFFAOYSA-N -1 1 282.299 3.426 20 0 CGADMM O=C(Nc1ccn(C2CCCCC2)n1)c1ccccc1[O-] ZINC001255919645 806788217 /nfs/dbraw/zinc/78/82/17/806788217.db2.gz PHDKXDSZJHEKQA-UHFFFAOYSA-N -1 1 285.347 3.346 20 0 CGADMM O=C(C[C@@H]1C[C@H]1C1CC1)Nc1ccc([O-])c(Cl)c1 ZINC000712921787 800100574 /nfs/dbraw/zinc/10/05/74/800100574.db2.gz BDQVCZAWNDHAOL-ONGXEEELSA-N -1 1 265.740 3.420 20 0 CGADMM CCCCCc1nnc(-c2ccc(OC)cc2[O-])o1 ZINC001256068424 806809213 /nfs/dbraw/zinc/80/92/13/806809213.db2.gz TXFGAGOMYWSKEZ-UHFFFAOYSA-N -1 1 262.309 3.184 20 0 CGADMM CCCCCc1nnc(-c2cc([O-])cc(F)c2)o1 ZINC001256136533 806832214 /nfs/dbraw/zinc/83/22/14/806832214.db2.gz MJGKDYNFOKEGSH-UHFFFAOYSA-N -1 1 250.273 3.314 20 0 CGADMM CCOC1CC2(C[C@H]2C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000866868577 800532637 /nfs/dbraw/zinc/53/26/37/800532637.db2.gz LMKAXXURKKJTAG-VTWZXRTESA-N -1 1 295.766 3.189 20 0 CGADMM COc1c(Cl)ccc([O-])c1-c1nnc([C@@H]2C[C@@H]2C)o1 ZINC001256745707 806968727 /nfs/dbraw/zinc/96/87/27/806968727.db2.gz AQOSTFRFUBGUDB-NKWVEPMBSA-N -1 1 280.711 3.228 20 0 CGADMM C[C@H]1C[C@@H]1c1nnc(-c2ccc([O-])cc2Br)o1 ZINC001256758689 806972871 /nfs/dbraw/zinc/97/28/71/806972871.db2.gz DUPUSWXAXNROMW-RCOVLWMOSA-N -1 1 295.136 3.328 20 0 CGADMM O=C([N-]c1cc(F)c(F)cc1F)c1c(F)ccnc1F ZINC001125950680 803080463 /nfs/dbraw/zinc/08/04/63/803080463.db2.gz BNSMQHOKRAKYLR-UHFFFAOYSA-N -1 1 288.175 3.029 20 0 CGADMM [O-]c1cccc(Cl)c1-c1ccc2c(n1)CCOC2 ZINC001244037343 803154263 /nfs/dbraw/zinc/15/42/63/803154263.db2.gz TWXQSMNKXPKPER-UHFFFAOYSA-N -1 1 261.708 3.180 20 0 CGADMM C[C@@H]1Oc2ccc(-c3cc(F)c([O-])c(F)c3)cc2NC1=O ZINC001244094981 803182701 /nfs/dbraw/zinc/18/27/01/803182701.db2.gz YGDMHQYSHNZDQW-ZETCQYMHSA-N -1 1 291.253 3.057 20 0 CGADMM CN(C)c1ccc(-c2ccc(OC(F)(F)F)cc2[O-])nc1 ZINC001244464890 803383058 /nfs/dbraw/zinc/38/30/58/803383058.db2.gz RQIJPAWWGZHFDT-UHFFFAOYSA-N -1 1 298.264 3.419 20 0 CGADMM Cc1cc(-c2ncc3cc[nH]c3n2)cc(Cl)c1[O-] ZINC001244531115 803421846 /nfs/dbraw/zinc/42/18/46/803421846.db2.gz VPCKGGRVNGFEFM-UHFFFAOYSA-N -1 1 259.696 3.244 20 0 CGADMM COc1cnc(-c2cc(C)c([O-])c(Cl)c2)nc1C ZINC001244531173 803421984 /nfs/dbraw/zinc/42/19/84/803421984.db2.gz WCJCNCWMXJUDHU-UHFFFAOYSA-N -1 1 264.712 3.128 20 0 CGADMM Cc1cc(-c2nncc3cnccc32)cc(Cl)c1[O-] ZINC001244532028 803422771 /nfs/dbraw/zinc/42/27/71/803422771.db2.gz UXDKFWLXEFUWLC-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM CC(=O)Nc1cnc(-c2cc(C)c([O-])c(Cl)c2)nc1C ZINC001244536983 803424312 /nfs/dbraw/zinc/42/43/12/803424312.db2.gz RUTJFHZMPRZDHF-UHFFFAOYSA-N -1 1 291.738 3.078 20 0 CGADMM Cc1ncc(C)c(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244538172 803425481 /nfs/dbraw/zinc/42/54/81/803425481.db2.gz KEEFYOMTTAXJPH-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM CC(C)Oc1ccc(-c2c(Cl)ccc([O-])c2F)nn1 ZINC001244539430 803426597 /nfs/dbraw/zinc/42/65/97/803426597.db2.gz VFKLETNCTYYEAX-UHFFFAOYSA-N -1 1 282.702 3.429 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncc(F)c3nccnc32)c1F ZINC001244539496 803426990 /nfs/dbraw/zinc/42/69/90/803426990.db2.gz YYXJAAOVPSJTTK-UHFFFAOYSA-N -1 1 293.660 3.329 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cc3[nH]ccc3nn2)c1F ZINC001244539904 803427766 /nfs/dbraw/zinc/42/77/66/803427766.db2.gz MZBHHAOGLKCJHD-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM CNC(=O)c1ccccc1-c1c(Cl)ccc([O-])c1F ZINC001244540884 803427772 /nfs/dbraw/zinc/42/77/72/803427772.db2.gz HSTISKVCVGAFDW-UHFFFAOYSA-N -1 1 279.698 3.211 20 0 CGADMM CC(=O)Nc1ccc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244540623 803428008 /nfs/dbraw/zinc/42/80/08/803428008.db2.gz DGWGKMZKBCKFHK-UHFFFAOYSA-N -1 1 280.686 3.205 20 0 CGADMM CCCOc1ccnc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244539949 803428131 /nfs/dbraw/zinc/42/81/31/803428131.db2.gz AUMSKVMPROGFDS-UHFFFAOYSA-N -1 1 282.702 3.431 20 0 CGADMM Cc1nnc2cc(-c3c(Cl)ccc([O-])c3F)ccn12 ZINC001244543149 803429083 /nfs/dbraw/zinc/42/90/83/803429083.db2.gz PCVFFMBUPDEXIY-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM COCCOc1cncc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244543029 803429122 /nfs/dbraw/zinc/42/91/22/803429122.db2.gz QATVUPHKDDWGBG-UHFFFAOYSA-N -1 1 297.713 3.272 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cnc3ocnc3c2)c1F ZINC001244541854 803429183 /nfs/dbraw/zinc/42/91/83/803429183.db2.gz UWQLDFKHKGULRU-UHFFFAOYSA-N -1 1 264.643 3.388 20 0 CGADMM O=c1ccc(-c2c(Cl)ccc([O-])c2F)cn1CC1CC1 ZINC001244543060 803429354 /nfs/dbraw/zinc/42/93/54/803429354.db2.gz QKYARLIWYPMEOP-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM c1cc(C2CCC2)ccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001244945066 803586113 /nfs/dbraw/zinc/58/61/13/803586113.db2.gz ZWQAMXQENJODSU-UHFFFAOYSA-N -1 1 277.331 3.196 20 0 CGADMM c1cc(C2CCC2)ccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001244945066 803586118 /nfs/dbraw/zinc/58/61/18/803586118.db2.gz ZWQAMXQENJODSU-UHFFFAOYSA-N -1 1 277.331 3.196 20 0 CGADMM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1ccc([O-])cc1F ZINC001135735165 803612427 /nfs/dbraw/zinc/61/24/27/803612427.db2.gz NXMFWUARJHXAOH-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1ccc2c(n1)CCOC2 ZINC001245048785 803621212 /nfs/dbraw/zinc/62/12/12/803621212.db2.gz MWTNKVNKRPPBNS-UHFFFAOYSA-N -1 1 261.708 3.180 20 0 CGADMM CC(=O)Nc1ccnc(-c2cc(Cl)ccc2[O-])c1 ZINC001245049930 803621878 /nfs/dbraw/zinc/62/18/78/803621878.db2.gz XRODZFRLIUBPCL-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM COC(=O)c1ccnc(-c2cc(Cl)ccc2[O-])c1C ZINC001245049566 803622100 /nfs/dbraw/zinc/62/21/00/803622100.db2.gz RAMGBHVXSPMDES-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])cn1 ZINC001136181953 803634828 /nfs/dbraw/zinc/63/48/28/803634828.db2.gz DZEUZHQEOHKPDD-CHWSQXEVSA-N -1 1 276.380 3.122 20 0 CGADMM O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1ccccc1[O-] ZINC001136337563 803640174 /nfs/dbraw/zinc/64/01/74/803640174.db2.gz NDAHNNVTAFLXAT-UHFFFAOYSA-N -1 1 299.374 3.490 20 0 CGADMM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001136967049 803663211 /nfs/dbraw/zinc/66/32/11/803663211.db2.gz QXWRWNKNOSHEEG-ZJUUUORDSA-N -1 1 253.317 3.086 20 0 CGADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])[C@@H](C)c1ccccc1 ZINC001137134873 803687258 /nfs/dbraw/zinc/68/72/58/803687258.db2.gz MYEISCYVIFYVNY-VXGBXAGGSA-N -1 1 287.334 3.453 20 0 CGADMM Fc1cc([S-])ccc1C1=CC[C@H](N2CCOCC2)CC1 ZINC001245425465 803733707 /nfs/dbraw/zinc/73/37/07/803733707.db2.gz KQUNCEKTGADEJY-ZDUSSCGKSA-N -1 1 293.407 3.383 20 0 CGADMM [O-]c1cc(Nc2ccc(O)c(F)c2F)cc(F)c1F ZINC001212011083 814966613 /nfs/dbraw/zinc/96/66/13/814966613.db2.gz QGTYFXYGRBJMRG-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCC2(CC2)C1 ZINC001138577828 803972433 /nfs/dbraw/zinc/97/24/33/803972433.db2.gz PYDUKBRXZVMTJG-UHFFFAOYSA-N -1 1 299.292 3.427 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc3nc[nH]c32)c1Cl ZINC001245826386 803980596 /nfs/dbraw/zinc/98/05/96/803980596.db2.gz IXJBBZFWLZNQAS-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc3[nH]cnc32)c1Cl ZINC001245826386 803980603 /nfs/dbraw/zinc/98/06/03/803980603.db2.gz IXJBBZFWLZNQAS-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM CSc1cc(-c2c(F)ccc([O-])c2Cl)ncn1 ZINC001245825585 803981010 /nfs/dbraw/zinc/98/10/10/803981010.db2.gz DDQTXRUNMADMDU-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM COC(=O)c1cncc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245830984 803984048 /nfs/dbraw/zinc/98/40/48/803984048.db2.gz CFUZEVAGFCXJMN-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM COC(=O)c1cc(C)cc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245830466 803984254 /nfs/dbraw/zinc/98/42/54/803984254.db2.gz OEMDSTXBKVMRKH-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CCOC(=O)c1ccncc1-c1c(F)ccc([O-])c1Cl ZINC001245831422 803985893 /nfs/dbraw/zinc/98/58/93/803985893.db2.gz FUKATLNHUMDLKQ-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM Cn1nnc2cc(-c3c(F)ccc([O-])c3Cl)ccc21 ZINC001245831656 803985910 /nfs/dbraw/zinc/98/59/10/803985910.db2.gz HHWOYKDPZWEIBX-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM NC(=O)c1ccc(-c2c(F)ccc([O-])c2Cl)cc1F ZINC001245832135 803986153 /nfs/dbraw/zinc/98/61/53/803986153.db2.gz MMHPYHOJPPONTL-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc3[nH]cnc3c2)c1Cl ZINC001245831781 803986713 /nfs/dbraw/zinc/98/67/13/803986713.db2.gz FBOILWMVSKNEBC-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM O=C([O-])/C=C/c1ccccc1-c1ccc2cncn2c1 ZINC001245896876 804024794 /nfs/dbraw/zinc/02/47/94/804024794.db2.gz TWLVFJNYHCSVNQ-SOFGYWHQSA-N -1 1 264.284 3.099 20 0 CGADMM CCCCc1cc(=O)n(-c2ccc(OC)cc2C)[n-]1 ZINC001245926256 804054128 /nfs/dbraw/zinc/05/41/28/804054128.db2.gz AECIIWFXOGQHAV-UHFFFAOYSA-N -1 1 260.337 3.238 20 0 CGADMM CCCCc1cc(=O)n(-c2ccc(C(=O)OCC)cc2)[n-]1 ZINC001245927553 804056749 /nfs/dbraw/zinc/05/67/49/804056749.db2.gz VWPFUZOYVFCURA-UHFFFAOYSA-N -1 1 288.347 3.097 20 0 CGADMM Cc1c(F)cccc1-n1[n-]c(CC2CCC2)cc1=O ZINC001245935771 804065848 /nfs/dbraw/zinc/06/58/48/804065848.db2.gz AVHHIWSFKIJFBD-UHFFFAOYSA-N -1 1 260.312 3.368 20 0 CGADMM CCCCCc1cc(=O)n(-c2ccc3c(c2)OCCO3)[n-]1 ZINC001245941990 804074829 /nfs/dbraw/zinc/07/48/29/804074829.db2.gz BMHQDVLXUYUOMU-UHFFFAOYSA-N -1 1 288.347 3.082 20 0 CGADMM Cc1nsc([N-]c2ccnc(Cl)c2Cl)n1 ZINC001212230301 814993781 /nfs/dbraw/zinc/99/37/81/814993781.db2.gz RGFHXOBAKJMUJV-UHFFFAOYSA-N -1 1 261.137 3.292 20 0 CGADMM CC(C)N(CC1CCC1)C(=O)c1ccc(F)c([O-])c1 ZINC001139477491 804194350 /nfs/dbraw/zinc/19/43/50/804194350.db2.gz QFZSXFLOSLVFKJ-UHFFFAOYSA-N -1 1 265.328 3.182 20 0 CGADMM CC1(CCNC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001139989263 804344482 /nfs/dbraw/zinc/34/44/82/804344482.db2.gz MSLUJPJTQNXQKP-UHFFFAOYSA-N -1 1 287.281 3.331 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cccc3nonc32)c([O-])c1 ZINC001140446254 804436985 /nfs/dbraw/zinc/43/69/85/804436985.db2.gz STSQZMGZVZSOQP-UHFFFAOYSA-N -1 1 297.314 3.304 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@H]2c2nccs2)cc1F ZINC001140991074 804563184 /nfs/dbraw/zinc/56/31/84/804563184.db2.gz WGAGFYWMACOOBE-LBPRGKRZSA-N -1 1 296.342 3.464 20 0 CGADMM CCC(CC)N(CC)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001141624084 804658644 /nfs/dbraw/zinc/65/86/44/804658644.db2.gz DWZDBNUEIIITCG-UHFFFAOYSA-N -1 1 277.364 3.164 20 0 CGADMM Cc1ccc(Cl)c(-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212480997 815035775 /nfs/dbraw/zinc/03/57/75/815035775.db2.gz UKSQTLZGJOWUNB-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2cc(F)cc(Cl)c2)no1 ZINC001212480951 815035906 /nfs/dbraw/zinc/03/59/06/815035906.db2.gz RDLQMRVBFMOEMH-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM CCC/C(C)=C/C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142542702 804736358 /nfs/dbraw/zinc/73/63/58/804736358.db2.gz UDQHLHWZNNQIGJ-VMPITWQZSA-N -1 1 255.264 3.355 20 0 CGADMM CCO[C@H]1CCCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142656548 804750272 /nfs/dbraw/zinc/75/02/72/804750272.db2.gz HYRMWPUDUWCCBN-ZDUSSCGKSA-N -1 1 297.782 3.039 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@H](F)C(F)(F)C2)c(F)c1 ZINC001144542481 805000628 /nfs/dbraw/zinc/00/06/28/805000628.db2.gz ZTBFTGXFSWUNMN-GFCCVEGCSA-N -1 1 295.251 3.240 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1ccnc(Cl)c1F ZINC001144820626 805057719 /nfs/dbraw/zinc/05/77/19/805057719.db2.gz KIKDAWGJKIQYLY-UHFFFAOYSA-N -1 1 297.742 3.243 20 0 CGADMM CC(=O)c1ccc(C(=O)Nc2c([O-])cccc2C(C)=O)cc1 ZINC001148306330 805173583 /nfs/dbraw/zinc/17/35/83/805173583.db2.gz AYHRYBPIOCXUDK-UHFFFAOYSA-N -1 1 297.310 3.050 20 0 CGADMM Cc1cnc(C(=O)NCc2ccccc2CC(C)C)c([O-])c1 ZINC001148579800 805196950 /nfs/dbraw/zinc/19/69/50/805196950.db2.gz QOZPOYPYTALSCS-UHFFFAOYSA-N -1 1 298.386 3.224 20 0 CGADMM COc1ccc(C(=O)Cc2cc(F)c([O-])cc2F)cc1 ZINC001249903738 805293229 /nfs/dbraw/zinc/29/32/29/805293229.db2.gz FFWDEMIIALUKEU-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCc2cccnc21 ZINC001151583177 805299680 /nfs/dbraw/zinc/29/96/80/805299680.db2.gz VNOMSLXGUPXVPX-NSHDSACASA-N -1 1 288.734 3.109 20 0 CGADMM [O-]c1cc(Nc2cccc(F)c2O)c(F)c(F)c1F ZINC001249963375 805331061 /nfs/dbraw/zinc/33/10/61/805331061.db2.gz OVXQRWUOERURFC-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2F)cc1O ZINC001249963489 805331574 /nfs/dbraw/zinc/33/15/74/805331574.db2.gz YJXUPVMDCWAZGN-UHFFFAOYSA-N -1 1 285.221 3.267 20 0 CGADMM Nc1cc(F)cc2c1ccn2-c1cc([O-])c(F)c(F)c1F ZINC001249965997 805333573 /nfs/dbraw/zinc/33/35/73/805333573.db2.gz WOUBXWIFSGRIOG-UHFFFAOYSA-N -1 1 296.223 3.475 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1c(O)cccc1F ZINC001249996981 805355247 /nfs/dbraw/zinc/35/52/47/805355247.db2.gz SHQSYAFFVAMEMR-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM CC[C@H](NC(=O)c1cncc([O-])c1)c1ccc(C)c(F)c1 ZINC001152922000 805374856 /nfs/dbraw/zinc/37/48/56/805374856.db2.gz JSGINVBGJJKANP-HNNXBMFYSA-N -1 1 288.322 3.116 20 0 CGADMM Nc1cccc2c1cnn2-c1cc(Cl)c([O-])cc1F ZINC001250023853 805375493 /nfs/dbraw/zinc/37/54/93/805375493.db2.gz DWCWYIFLBLBJSH-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM CN(C)c1cccnc1Nc1cc(Cl)c([O-])cc1F ZINC001250023627 805375647 /nfs/dbraw/zinc/37/56/47/805375647.db2.gz SDXPRDKEGXPAID-UHFFFAOYSA-N -1 1 281.718 3.389 20 0 CGADMM COCCN(C(=O)c1c([O-])ccc2ccccc21)C(C)C ZINC001153504701 805399528 /nfs/dbraw/zinc/39/95/28/805399528.db2.gz GNNQPYFBSWTZTO-UHFFFAOYSA-N -1 1 287.359 3.042 20 0 CGADMM CC(C)[C@H](C)NC(=O)c1c([O-])ccc2ccccc21 ZINC001153497661 805400035 /nfs/dbraw/zinc/40/00/35/805400035.db2.gz GYHRZRLAPHRHMI-NSHDSACASA-N -1 1 257.333 3.320 20 0 CGADMM O=C(Nc1cc(C2CC2)[nH]n1)c1c([O-])ccc2ccccc21 ZINC001153497911 805400368 /nfs/dbraw/zinc/40/03/68/805400368.db2.gz JJEOMSYGSIFLPJ-UHFFFAOYSA-N -1 1 293.326 3.398 20 0 CGADMM CCC[C@@H](C)CCNC(=O)c1ccc(F)c([O-])c1 ZINC001153630139 805408493 /nfs/dbraw/zinc/40/84/93/805408493.db2.gz BLIJUUBAOXALLM-SNVBAGLBSA-N -1 1 253.317 3.087 20 0 CGADMM Cc1ccccc1C1CCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001153923989 805422393 /nfs/dbraw/zinc/42/23/93/805422393.db2.gz PNGFHLAJVISBIZ-UHFFFAOYSA-N -1 1 296.370 3.115 20 0 CGADMM Cn1ccc2ccc(NC(=O)c3ccc(F)c([O-])c3)cc21 ZINC001154481080 805459312 /nfs/dbraw/zinc/45/93/12/805459312.db2.gz OVRJTQOOISYCNV-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM CC[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1C ZINC001154795071 805487937 /nfs/dbraw/zinc/48/79/37/805487937.db2.gz ZUQUGLXVLYQGRD-ZJUUUORDSA-N -1 1 267.756 3.306 20 0 CGADMM Cc1c2cc(N)ccc2nn1-c1ccc(Cl)c([O-])c1 ZINC001212592572 815079771 /nfs/dbraw/zinc/07/97/71/815079771.db2.gz WRYNZFSQNVSOKV-UHFFFAOYSA-N -1 1 273.723 3.275 20 0 CGADMM CCc1cnc(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250228537 805504423 /nfs/dbraw/zinc/50/44/23/805504423.db2.gz FGTSJULUTSDNES-UHFFFAOYSA-N -1 1 267.691 3.281 20 0 CGADMM Cc1cc2cc(N)cnc2n1-c1c(F)ccc([O-])c1Cl ZINC001250228834 805504465 /nfs/dbraw/zinc/50/44/65/805504465.db2.gz MOJBWEOCPYCECN-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM Cc1cc(Nc2c(F)ccc([O-])c2Cl)nc(C)n1 ZINC001250228105 805504914 /nfs/dbraw/zinc/50/49/14/805504914.db2.gz LPPGYKATRYARSP-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM NC(=O)c1ccc(F)c(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250232467 805506336 /nfs/dbraw/zinc/50/63/36/805506336.db2.gz MTXOCOSBIZTJMF-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM Cc1c2ccc(N)cc2nn1-c1c(F)ccc([O-])c1Cl ZINC001250232505 805507096 /nfs/dbraw/zinc/50/70/96/805507096.db2.gz OOYRGVZLCDBICU-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM O=C(Cc1ccc([O-])c(F)c1F)c1ccc(F)cc1F ZINC001250250477 805520990 /nfs/dbraw/zinc/52/09/90/805520990.db2.gz HKEPVRRTYAGGJU-UHFFFAOYSA-N -1 1 284.208 3.374 20 0 CGADMM COc1ccc(Cc2ccc([O-])c(F)c2F)cc1 ZINC001250285300 805540971 /nfs/dbraw/zinc/54/09/71/805540971.db2.gz MEDISYWUZNBRJM-UHFFFAOYSA-N -1 1 250.244 3.270 20 0 CGADMM COc1cc(Cc2cc([O-])c(F)c(F)c2F)cc(OC)c1 ZINC001250298770 805551587 /nfs/dbraw/zinc/55/15/87/805551587.db2.gz NQPFZMXJBIWLGP-UHFFFAOYSA-N -1 1 298.260 3.418 20 0 CGADMM Cc1ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)cc1 ZINC001212690075 815104047 /nfs/dbraw/zinc/10/40/47/815104047.db2.gz WNTCXJLKXXIURE-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM Cc1ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)cc1 ZINC001212690075 815104048 /nfs/dbraw/zinc/10/40/48/815104048.db2.gz WNTCXJLKXXIURE-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2ccc3scnc3c2)no1 ZINC001212721368 815113658 /nfs/dbraw/zinc/11/36/58/815113658.db2.gz MNZHHXBNPRUOAR-UHFFFAOYSA-N -1 1 296.311 3.114 20 0 CGADMM C[C@H](OC1CCCCC1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001261089100 807710618 /nfs/dbraw/zinc/71/06/18/807710618.db2.gz DIKSOXWUNUWNCM-VIFPVBQESA-N -1 1 298.770 3.117 20 0 CGADMM CCC[C@@H](C)C[C@@H](NCc1cc2cnccc2o1)C(=O)[O-] ZINC001261503602 807752249 /nfs/dbraw/zinc/75/22/49/807752249.db2.gz GAXXODNCURXSRF-BXUZGUMPSA-N -1 1 290.363 3.197 20 0 CGADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@H]1CC[C@H](C)C1 ZINC001170124758 807768717 /nfs/dbraw/zinc/76/87/17/807768717.db2.gz HQTHJSCLTHHCLI-AAEUAGOBSA-N -1 1 271.364 3.487 20 0 CGADMM Cc1cc(C)c(C)c(Nc2[n-]c(=O)nc3nc[nH]c32)c1C ZINC001170233258 807798517 /nfs/dbraw/zinc/79/85/17/807798517.db2.gz MGVUOHQTULEYLF-UHFFFAOYSA-N -1 1 283.335 3.036 20 0 CGADMM CC(=O)c1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001173894732 808748234 /nfs/dbraw/zinc/74/82/34/808748234.db2.gz BCQRFTFMWJKOAM-UHFFFAOYSA-N -1 1 295.294 3.445 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc2c(c1)CCO2 ZINC001174009917 808819157 /nfs/dbraw/zinc/81/91/57/808819157.db2.gz QKGKXMQTOUGQQN-UHFFFAOYSA-N -1 1 295.294 3.177 20 0 CGADMM COc1ncc(Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001174035844 808833283 /nfs/dbraw/zinc/83/32/83/808833283.db2.gz QXCBHFJBWWOQAH-UHFFFAOYSA-N -1 1 286.118 3.241 20 0 CGADMM CSc1nc(Nc2cc(C)ccc2F)cc(=O)[n-]1 ZINC001174111073 808871109 /nfs/dbraw/zinc/87/11/09/808871109.db2.gz UGIIQRHRQOUTCE-UHFFFAOYSA-N -1 1 265.313 3.095 20 0 CGADMM COc1nonc1[N-]c1ccc(C(=O)c2ccccc2)cc1 ZINC001174222521 808910539 /nfs/dbraw/zinc/91/05/39/808910539.db2.gz USBAAPARSFHHBK-UHFFFAOYSA-N -1 1 295.298 3.053 20 0 CGADMM Cn1ncc2ccc(Nc3cc(F)c([O-])cc3F)cc21 ZINC001174340728 808961240 /nfs/dbraw/zinc/96/12/40/808961240.db2.gz VAEDJLZMXUBSOZ-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM CCOC(=O)c1nnsc1[N-]c1cc(C)sc1C ZINC001174419576 809011563 /nfs/dbraw/zinc/01/15/63/809011563.db2.gz OWNPMPMFJPSALG-UHFFFAOYSA-N -1 1 283.378 3.137 20 0 CGADMM Cc1sccc1[N-]c1nnc(Br)s1 ZINC001174458501 809021405 /nfs/dbraw/zinc/02/14/05/809021405.db2.gz XRWDZSXMMMYWAG-UHFFFAOYSA-N -1 1 276.184 3.414 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cnn([C@H]2CCCCO2)c1 ZINC001174605007 809100064 /nfs/dbraw/zinc/10/00/64/809100064.db2.gz GSSXZQQKJGCEIR-CYBMUJFWSA-N -1 1 295.289 3.310 20 0 CGADMM Cc1cc(Nc2ccc(Cl)c(Cl)c2[O-])n(C)n1 ZINC001174831673 809175136 /nfs/dbraw/zinc/17/51/36/809175136.db2.gz VHRMPBPBSFTIQV-UHFFFAOYSA-N -1 1 272.135 3.485 20 0 CGADMM CCOc1cc(Nc2cc(=O)[n-]c(SC)n2)ccc1F ZINC001175050822 809253400 /nfs/dbraw/zinc/25/34/00/809253400.db2.gz OKZBYMPSFPJTDS-UHFFFAOYSA-N -1 1 295.339 3.186 20 0 CGADMM COc1c(O)cccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213390625 815275829 /nfs/dbraw/zinc/27/58/29/815275829.db2.gz LWRWPNQONUVMKU-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM CCOc1cc(F)ccc1Nc1cc(=O)[n-]c(SC)n1 ZINC001175286380 809339102 /nfs/dbraw/zinc/33/91/02/809339102.db2.gz AZGFHQOALCBVDC-UHFFFAOYSA-N -1 1 295.339 3.186 20 0 CGADMM C[S@](=O)c1ccccc1Nc1c([O-])cc(F)cc1F ZINC001175309086 809348683 /nfs/dbraw/zinc/34/86/83/809348683.db2.gz OCZOYQKGBNHQGM-IBGZPJMESA-N -1 1 283.299 3.151 20 0 CGADMM COc1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001290161529 809403427 /nfs/dbraw/zinc/40/34/27/809403427.db2.gz XLNXPEVOOTZEBB-UHFFFAOYSA-N -1 1 291.734 3.235 20 0 CGADMM Cc1[nH]nc2cc(Nc3ccnc(Cl)c3O)ccc12 ZINC001175660872 809495130 /nfs/dbraw/zinc/49/51/30/809495130.db2.gz XNOYPSLWGZUMSB-UHFFFAOYSA-N -1 1 274.711 3.369 20 0 CGADMM CC[C@@H](C)CCC(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC001298720064 809537416 /nfs/dbraw/zinc/53/74/16/809537416.db2.gz DWYOMYIURYQZSO-SNVBAGLBSA-N -1 1 276.336 3.217 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001299586146 809551509 /nfs/dbraw/zinc/55/15/09/809551509.db2.gz INCRWIVMYVLGDY-WCABBAIRSA-N -1 1 279.286 3.211 20 0 CGADMM O=C(/C=C\COc1ccccc1)Nc1c([O-])cccc1F ZINC001300487997 809569308 /nfs/dbraw/zinc/56/93/08/809569308.db2.gz JDYONKORYMIHDY-YHYXMXQVSA-N -1 1 287.290 3.105 20 0 CGADMM CSc1cc(Cl)ccc1[N-]C(=O)c1ccon1 ZINC001300645056 809571908 /nfs/dbraw/zinc/57/19/08/809571908.db2.gz QRTYSZPHVQHJAY-UHFFFAOYSA-N -1 1 268.725 3.302 20 0 CGADMM COc1ccc(NC(=O)c2ccc([O-])cn2)c2ccccc12 ZINC001302073858 809590489 /nfs/dbraw/zinc/59/04/89/809590489.db2.gz PPZYACSSAXGTFT-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM COCOc1ccc(Nc2ccnc(Cl)c2[O-])cc1F ZINC001176192210 809644179 /nfs/dbraw/zinc/64/41/79/809644179.db2.gz PUJPYMIMTQKGOI-UHFFFAOYSA-N -1 1 298.701 3.306 20 0 CGADMM Cc1ccc(CO)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176672938 809741277 /nfs/dbraw/zinc/74/12/77/809741277.db2.gz BPCDICVGGLNUAN-UHFFFAOYSA-N -1 1 283.249 3.354 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2c(F)cccc2CO)c1F ZINC001176673036 809741352 /nfs/dbraw/zinc/74/13/52/809741352.db2.gz CXNUAHFHZLTASE-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM CC(C)Oc1ncccc1Nc1ccnc(Cl)c1[O-] ZINC001176731105 809753683 /nfs/dbraw/zinc/75/36/83/809753683.db2.gz HEXMIIWODKEUPE-UHFFFAOYSA-N -1 1 279.727 3.366 20 0 CGADMM [O-]c1cnc(Cl)c(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC001213698477 815322699 /nfs/dbraw/zinc/32/26/99/815322699.db2.gz YDDMNAZKCWTCDP-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM Cc1noc(C)c1NC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001185180956 810241980 /nfs/dbraw/zinc/24/19/80/810241980.db2.gz SVUXKUFSJJEMMP-UHFFFAOYSA-N -1 1 299.689 3.434 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cc(F)c(CO)c(F)c1 ZINC001214031801 815359522 /nfs/dbraw/zinc/35/95/22/815359522.db2.gz PEFUABKSYFYYMK-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM Cc1[nH]nc2cc(NC(=O)c3cccc([S-])c3)ccc12 ZINC001186152516 810316467 /nfs/dbraw/zinc/31/64/67/810316467.db2.gz LQZAKXZLXUEWLP-UHFFFAOYSA-N -1 1 283.356 3.412 20 0 CGADMM O=C(Nc1ccccc1-c1cnco1)c1ccc([O-])c(F)c1 ZINC001186226027 810321907 /nfs/dbraw/zinc/32/19/07/810321907.db2.gz KFEGWGBKFNMXJJ-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM O=C(NCc1sccc1Cl)c1ccc([O-])cc1F ZINC001186340208 810329297 /nfs/dbraw/zinc/32/92/97/810329297.db2.gz YVWBBMLNCNPNPN-UHFFFAOYSA-N -1 1 285.727 3.176 20 0 CGADMM O=C(NCC1CCCCC1)Nc1cc(Cl)ncc1[O-] ZINC001186852095 810365199 /nfs/dbraw/zinc/36/51/99/810365199.db2.gz GRZPXXNPRWKXGK-UHFFFAOYSA-N -1 1 283.759 3.142 20 0 CGADMM O=C(NCc1ccco1)Nc1cc([O-])c(Cl)cc1F ZINC001188164905 810462091 /nfs/dbraw/zinc/46/20/91/810462091.db2.gz LUMHBPGAHZVXSF-UHFFFAOYSA-N -1 1 284.674 3.099 20 0 CGADMM CC(C)c1cccc(F)c1[N-]S(=O)(=O)c1ccoc1 ZINC001188617653 810494314 /nfs/dbraw/zinc/49/43/14/810494314.db2.gz OEPURRYHHMVMMG-UHFFFAOYSA-N -1 1 283.324 3.343 20 0 CGADMM O=S(=O)([N-]c1cccc(O)c1)c1ccc(C2CC2)cc1 ZINC001190463368 810628958 /nfs/dbraw/zinc/62/89/58/810628958.db2.gz BCSAREUHMRIEQY-UHFFFAOYSA-N -1 1 289.356 3.070 20 0 CGADMM Cc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1OC(C)C ZINC001214334449 815397110 /nfs/dbraw/zinc/39/71/10/815397110.db2.gz IUOXQBKSRFYNJS-UHFFFAOYSA-N -1 1 297.358 3.409 20 0 CGADMM Cc1csc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC001192523384 810804189 /nfs/dbraw/zinc/80/41/89/810804189.db2.gz AHHSAXPWWPWGAX-UHFFFAOYSA-N -1 1 269.272 3.293 20 0 CGADMM CCc1nccc(C)c1NC(=O)c1c(F)ccc([O-])c1F ZINC001192526521 810804913 /nfs/dbraw/zinc/80/49/13/810804913.db2.gz LIMIYLOUWJXKPV-UHFFFAOYSA-N -1 1 292.285 3.189 20 0 CGADMM CC[C@@H](C)C[C@H](C)NC(=O)c1cc([O-])cc(F)c1F ZINC001192679574 810814429 /nfs/dbraw/zinc/81/44/29/810814429.db2.gz XDHDVKAHYFOXMA-BDAKNGLRSA-N -1 1 271.307 3.225 20 0 CGADMM COC(=O)c1cccc(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214480525 815415201 /nfs/dbraw/zinc/41/52/01/815415201.db2.gz UMCSOHUVUBTSEX-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM COCCn1nc(C)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214485316 815416303 /nfs/dbraw/zinc/41/63/03/815416303.db2.gz ZSRLQUULHVIYQD-UHFFFAOYSA-N -1 1 299.733 3.080 20 0 CGADMM NC(=O)c1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1F ZINC001214494766 815417770 /nfs/dbraw/zinc/41/77/70/815417770.db2.gz ZHWVLBBRCHMRBH-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM Cc1ccnc(C)c1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194604204 811092848 /nfs/dbraw/zinc/09/28/48/811092848.db2.gz BLMZXUSEHJRBDO-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM CCOC(=O)[N-]C(=S)N=c1cc(C)[nH]c2sccc21 ZINC001195460680 811256016 /nfs/dbraw/zinc/25/60/16/811256016.db2.gz CMEODKBXLALTSG-UHFFFAOYSA-N -1 1 295.389 3.048 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cccc(C(F)F)c1 ZINC001195482008 811260090 /nfs/dbraw/zinc/26/00/90/811260090.db2.gz CPLHSMOLLMLDOU-UHFFFAOYSA-N -1 1 274.292 3.067 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2cc(C)ccn2)c(Cl)c1 ZINC001197956283 811467082 /nfs/dbraw/zinc/46/70/82/811467082.db2.gz KHBXHABMDIRDQT-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM CC[C@@H](C)CNC(=S)Nc1ccc([O-])c(F)c1F ZINC001200259272 811656873 /nfs/dbraw/zinc/65/68/73/811656873.db2.gz KXNWQYHPZBBJAT-SSDOTTSWSA-N -1 1 274.336 3.003 20 0 CGADMM [O-]c1c(F)cc(F)cc1NC(=S)NC1CCCCC1 ZINC001200654130 811729512 /nfs/dbraw/zinc/72/95/12/811729512.db2.gz DQXUKBWMKYLANR-UHFFFAOYSA-N -1 1 286.347 3.290 20 0 CGADMM O=C(Nc1ccccc1F)Nc1c(F)cc([O-])cc1F ZINC001202001209 811993858 /nfs/dbraw/zinc/99/38/58/811993858.db2.gz VFRRJOOWDVTQQL-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM CCOc1ccc(-c2nc(-c3ccncc3C)no2)c([O-])c1 ZINC001215241313 815498511 /nfs/dbraw/zinc/49/85/11/815498511.db2.gz QHUBBOBYYVAVDF-UHFFFAOYSA-N -1 1 297.314 3.211 20 0 CGADMM CC(C)NC(=O)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001202526460 812115420 /nfs/dbraw/zinc/11/54/20/812115420.db2.gz LMRKEYXXXPITIT-UHFFFAOYSA-N -1 1 263.124 3.229 20 0 CGADMM Cc1cccc(-c2noc(-c3ccc([O-])cc3Cl)n2)n1 ZINC001215345979 815508424 /nfs/dbraw/zinc/50/84/24/815508424.db2.gz WBVYWEQUURUYRJ-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM Cc1nc2ccc(F)cn2c1Nc1ccsc1C(=O)[O-] ZINC001215391787 815515105 /nfs/dbraw/zinc/51/51/05/815515105.db2.gz LZLIICFBMXDQLK-UHFFFAOYSA-N -1 1 291.307 3.285 20 0 CGADMM [O-]c1cc(Nc2ccc3cncnc3c2)cc(F)c1F ZINC001203707931 812434744 /nfs/dbraw/zinc/43/47/44/812434744.db2.gz MFEUKDPDVOMNIJ-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM O=C1OCc2c1cccc2Nc1cc(F)c([O-])cc1F ZINC001215574264 815538564 /nfs/dbraw/zinc/53/85/64/815538564.db2.gz OAMBLLDXWUJLBT-UHFFFAOYSA-N -1 1 277.226 3.084 20 0 CGADMM O=C1CCCc2nc(Nc3cc(F)c([O-])cc3F)sc21 ZINC001215569886 815536424 /nfs/dbraw/zinc/53/64/24/815536424.db2.gz IOVFOFDOMRAZLA-UHFFFAOYSA-N -1 1 296.298 3.390 20 0 CGADMM CCNC(=O)c1ccccc1Nc1cc(F)c([O-])cc1F ZINC001215572066 815537068 /nfs/dbraw/zinc/53/70/68/815537068.db2.gz VPFHDVKVEAKVQO-UHFFFAOYSA-N -1 1 292.285 3.164 20 0 CGADMM O=C([O-])c1sccc1-c1nc[nH]c2nc(=S)sc1-2 ZINC001205547523 813001454 /nfs/dbraw/zinc/00/14/54/813001454.db2.gz LNVVKFROKJIRND-UHFFFAOYSA-N -1 1 295.370 3.127 20 0 CGADMM Cc1nc2ccc(-c3csc(C(=O)[O-])c3)cc2[nH]1 ZINC001206272609 813266113 /nfs/dbraw/zinc/26/61/13/813266113.db2.gz OPLAMJZJQWOIPN-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM CC(C)n1ccc([N-]c2cc(C(F)(F)F)no2)n1 ZINC001210335736 814409507 /nfs/dbraw/zinc/40/95/07/814409507.db2.gz KPUTZDAAUPBYQQ-UHFFFAOYSA-N -1 1 260.219 3.214 20 0 CGADMM CC(=O)c1ccncc1Nc1cccc([O-])c1Cl ZINC001210851838 814651010 /nfs/dbraw/zinc/65/10/10/814651010.db2.gz NCUARMXSGVBHJH-UHFFFAOYSA-N -1 1 262.696 3.387 20 0 CGADMM COc1ncc([N-]c2nnc(C(C)(C)C)o2)cc1Cl ZINC001211046033 814720848 /nfs/dbraw/zinc/72/08/48/814720848.db2.gz TWUZTOCMGXJLBT-UHFFFAOYSA-N -1 1 282.731 3.168 20 0 CGADMM [O-]c1c(Cl)c(Cl)ccc1Nc1cncc(CO)c1 ZINC001211107230 814747637 /nfs/dbraw/zinc/74/76/37/814747637.db2.gz ODYWPHAJSJVPEX-UHFFFAOYSA-N -1 1 285.130 3.330 20 0 CGADMM Cc1cn2cc(-c3cccc([O-])c3Cl)ncc2n1 ZINC001242800268 823136509 /nfs/dbraw/zinc/13/65/09/823136509.db2.gz LHDBUKNSSNPWQJ-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM O=C1Cc2cccc(-c3cccc([O-])c3Cl)c2N1 ZINC001242799718 823136533 /nfs/dbraw/zinc/13/65/33/823136533.db2.gz ZCGUNZQLHCXPSO-UHFFFAOYSA-N -1 1 259.692 3.207 20 0 CGADMM C[S@@](=O)c1ccccc1-c1cccc([O-])c1Cl ZINC001242800316 823136549 /nfs/dbraw/zinc/13/65/49/823136549.db2.gz MOCZBPFOOBQQMC-QGZVFWFLSA-N -1 1 266.749 3.450 20 0 CGADMM [O-]c1cccc(-c2ccnc(N3CCCC3)n2)c1Cl ZINC001242800890 823137180 /nfs/dbraw/zinc/13/71/80/823137180.db2.gz LXDRSXJFCDMNMS-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM Cc1noc(-c2cccnc2-c2cccc([O-])c2Cl)n1 ZINC001242801040 823137364 /nfs/dbraw/zinc/13/73/64/823137364.db2.gz MUOASCMCYQGXSK-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CS(=O)(=O)Cc1ccccc1-c1cccc([O-])c1Cl ZINC001242802187 823137797 /nfs/dbraw/zinc/13/77/97/823137797.db2.gz VHEMMSLJOOHTER-UHFFFAOYSA-N -1 1 296.775 3.257 20 0 CGADMM [O-]c1cccc(-c2ccc(-n3ccnc3)nc2)c1Cl ZINC001242802543 823137839 /nfs/dbraw/zinc/13/78/39/823137839.db2.gz LAKKPBVIFJEGCM-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM CON(C)C(=O)c1cccc(-c2cccc([O-])c2Cl)c1 ZINC001242802246 823138074 /nfs/dbraw/zinc/13/80/74/823138074.db2.gz CJCXPFWKWUYRJC-UHFFFAOYSA-N -1 1 291.734 3.346 20 0 CGADMM O=c1c(-c2cccc([O-])c2Cl)ccnn1-c1ccccc1 ZINC001242802319 823138109 /nfs/dbraw/zinc/13/81/09/823138109.db2.gz WNKLFAAGHGGKLD-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM CSc1nc(Nc2cc3ccccc3[nH]2)cc(=O)[n-]1 ZINC001211305601 814876872 /nfs/dbraw/zinc/87/68/72/814876872.db2.gz LSXBQSWEBAPTAK-UHFFFAOYSA-N -1 1 272.333 3.129 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)c([O-])cc2F)cc1OC ZINC001211338609 814881530 /nfs/dbraw/zinc/88/15/30/814881530.db2.gz GBZWBDWPLNBSOW-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM CC(=O)Nc1ccc(-c2cc(F)c([O-])cc2F)cc1F ZINC001211340464 814882434 /nfs/dbraw/zinc/88/24/34/814882434.db2.gz VIXYEWDJTMANIG-UHFFFAOYSA-N -1 1 281.233 3.435 20 0 CGADMM COc1ccc(-c2cc(F)c([O-])cc2F)c(C)n1 ZINC001211350527 814883181 /nfs/dbraw/zinc/88/31/81/814883181.db2.gz RQYYORBGVSEZQL-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COC(=O)CCc1ccccc1-c1cc(F)c([O-])cc1F ZINC001211350534 814883589 /nfs/dbraw/zinc/88/35/89/814883589.db2.gz RUWYEJJYBMZPPA-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM Cc1cnc(F)c(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001211500331 814897761 /nfs/dbraw/zinc/89/77/61/814897761.db2.gz QGPOYCIYOUEQRZ-UHFFFAOYSA-N -1 1 286.262 3.085 20 0 CGADMM Cc1cc(Nc2ccc3nccn3c2)cc(C(=O)[O-])c1 ZINC001211537689 814902807 /nfs/dbraw/zinc/90/28/07/814902807.db2.gz WJNPBASOVUHFJT-UHFFFAOYSA-N -1 1 267.288 3.085 20 0 CGADMM [O-]c1cc(-c2nc(-c3cccc(F)c3)no2)ccc1F ZINC001215838448 815610576 /nfs/dbraw/zinc/61/05/76/815610576.db2.gz DEPBEFGRPVUVGS-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CSc1cc(F)c([N-]c2nonc2C)cc1F ZINC001215966435 815644868 /nfs/dbraw/zinc/64/48/68/815644868.db2.gz PLUJAISHZRFHPS-UHFFFAOYSA-N -1 1 257.265 3.122 20 0 CGADMM Cc1cc(-c2noc(-c3cc([O-])cc(F)c3)n2)cc(C)n1 ZINC001216339485 815791063 /nfs/dbraw/zinc/79/10/63/815791063.db2.gz JCRJKMXPNPPDBB-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM O=C([O-])c1ccc(Nc2cncn2Cc2ccccc2)cc1 ZINC001216553365 815856649 /nfs/dbraw/zinc/85/66/49/815856649.db2.gz MEMJFZCWILAXKX-UHFFFAOYSA-N -1 1 293.326 3.373 20 0 CGADMM COCn1cc(Nc2ccc(Cl)c(Cl)c2[O-])cn1 ZINC001216577548 815861750 /nfs/dbraw/zinc/86/17/50/815861750.db2.gz CTFJISSZIBGIGN-UHFFFAOYSA-N -1 1 288.134 3.243 20 0 CGADMM CCOc1cc(Nc2cc3ccc([O-])cc3oc2=O)ccn1 ZINC001216623677 815879091 /nfs/dbraw/zinc/87/90/91/815879091.db2.gz OBVBGTDAPILDFA-UHFFFAOYSA-N -1 1 298.298 3.036 20 0 CGADMM Cc1cc(O)cc([O-])c1-c1nc(-c2ccc(F)cc2)no1 ZINC001216986091 815905614 /nfs/dbraw/zinc/90/56/14/815905614.db2.gz IVXNTEDAYRWFLH-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM CCC(=O)Nc1cc(-c2cc(F)c([O-])cc2F)ccn1 ZINC001222086547 816344535 /nfs/dbraw/zinc/34/45/35/816344535.db2.gz NZTKHRKZCUQXCO-UHFFFAOYSA-N -1 1 278.258 3.081 20 0 CGADMM COc1nc2ccccc2nc1-c1ccc(F)c([O-])c1 ZINC001243047897 823224512 /nfs/dbraw/zinc/22/45/12/823224512.db2.gz GYWQMYCVENKXPH-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM CCCC[C@@H](CC)[C@@H](CC)OCC[P@](=O)([O-])O ZINC001224602247 816831027 /nfs/dbraw/zinc/83/10/27/816831027.db2.gz PDDRBKGVGQXQSI-VXGBXAGGSA-N -1 1 266.318 3.176 20 0 CGADMM CCCC[C@@H](OCC[P@](=O)([O-])O)[C@H](C)CCC ZINC001224602276 816831096 /nfs/dbraw/zinc/83/10/96/816831096.db2.gz PGBSXXRZDWLLSI-VXGBXAGGSA-N -1 1 266.318 3.176 20 0 CGADMM CCCCCC1CCC(OCC[P@](=O)([O-])O)CC1 ZINC001224607769 816833495 /nfs/dbraw/zinc/83/34/95/816833495.db2.gz VGROOTMIGSHBDY-UHFFFAOYSA-N -1 1 278.329 3.320 20 0 CGADMM COc1nc(-c2ccc(F)c([O-])c2)nc2ccccc21 ZINC001243054365 823229808 /nfs/dbraw/zinc/22/98/08/823229808.db2.gz OLOLRDIYPISNDM-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM CCC[C@H](C)[C@H](CC)OCCCC[P@](=O)([O-])O ZINC001225019609 816934150 /nfs/dbraw/zinc/93/41/50/816934150.db2.gz YTZBQAITWMBJCG-RYUDHWBXSA-N -1 1 266.318 3.176 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCOc2ccccc21 ZINC001225616298 817113581 /nfs/dbraw/zinc/11/35/81/817113581.db2.gz IBJSJSVYSYQSKA-INIZCTEOSA-N -1 1 284.311 3.497 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCCn2cc(C)nc21 ZINC001225618974 817114047 /nfs/dbraw/zinc/11/40/47/817114047.db2.gz KVCGWDZCFFKUAW-AWEZNQCLSA-N -1 1 286.331 3.014 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)COC(C)(C)C ZINC001225616315 817114097 /nfs/dbraw/zinc/11/40/97/817114097.db2.gz IHRKCEAJOIOZAC-JTQLQIEISA-N -1 1 266.337 3.177 20 0 CGADMM CC[C@H](C)[C@@H](C)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225678515 817138548 /nfs/dbraw/zinc/13/85/48/817138548.db2.gz IEWARASCXQUJBB-WCBMZHEXSA-N -1 1 252.310 3.114 20 0 CGADMM C[C@@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)c1nccs1 ZINC001226184207 817292901 /nfs/dbraw/zinc/29/29/01/817292901.db2.gz CETLXCIWANHHJF-SNVBAGLBSA-N -1 1 299.355 3.446 20 0 CGADMM C[C@@H](Oc1cnc[n-]c1=O)c1ccc2ccccc2c1 ZINC001227045167 817542364 /nfs/dbraw/zinc/54/23/64/817542364.db2.gz MCTXIXQKMIKLHN-LLVKDONJSA-N -1 1 266.300 3.475 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@H]1CCC[C@@H](C)C1 ZINC001227168764 817578361 /nfs/dbraw/zinc/57/83/61/817578361.db2.gz NFFOETNOHXWGAI-YPMHNXCESA-N -1 1 278.348 3.179 20 0 CGADMM COCC(=O)c1ccc([O-])cc1OC(C(C)C)C(C)C ZINC001227169485 817578372 /nfs/dbraw/zinc/57/83/72/817578372.db2.gz ULSANFWYZBBUGV-UHFFFAOYSA-N -1 1 280.364 3.281 20 0 CGADMM Cc1cccc(OC[C@@H](C)Oc2[n-]c(=S)ncc2F)c1 ZINC001227385384 817636603 /nfs/dbraw/zinc/63/66/03/817636603.db2.gz HRGUQORRGBFRBG-SNVBAGLBSA-N -1 1 294.351 3.059 20 0 CGADMM CC(C)OC(=O)COc1cc(Cl)c([O-])cc1Cl ZINC001227640617 817685861 /nfs/dbraw/zinc/68/58/61/817685861.db2.gz DZPMDPUPLUWEPS-UHFFFAOYSA-N -1 1 279.119 3.029 20 0 CGADMM CC1(C)COC(=O)[C@@H]1Oc1cc(Cl)c([O-])cc1Cl ZINC001227641893 817687890 /nfs/dbraw/zinc/68/78/90/817687890.db2.gz TZKXGHUOTSMZEA-JTQLQIEISA-N -1 1 291.130 3.029 20 0 CGADMM C[C@H]1OCc2c1nc(=O)[n-]c2O[C@@H](c1ccccc1)C1CC1 ZINC001227710551 817699239 /nfs/dbraw/zinc/69/92/39/817699239.db2.gz MALFEXCGVAUKRF-BMIGLBTASA-N -1 1 298.342 3.304 20 0 CGADMM Cc1cccc2c1CC[C@H]2Oc1[n-]c(=O)nc2c1CO[C@H]2C ZINC001227709777 817699597 /nfs/dbraw/zinc/69/95/97/817699597.db2.gz GNFQYCYXOWDNEO-IINYFYTJSA-N -1 1 298.342 3.148 20 0 CGADMM Cc1ccc(-c2cccc3nc[nH]c32)cc1C(=O)[O-] ZINC001243195592 823285670 /nfs/dbraw/zinc/28/56/70/823285670.db2.gz VZWMKMPOTUSZPY-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CSc1nc(O[C@@H](C)c2cccc(F)c2)cc(=O)[n-]1 ZINC001228091143 817809055 /nfs/dbraw/zinc/80/90/55/817809055.db2.gz UZWAKHZICFPWAE-QMMMGPOBSA-N -1 1 280.324 3.183 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)CC(C)(C)OC ZINC001228554346 817937198 /nfs/dbraw/zinc/93/71/98/817937198.db2.gz HSYRSVROEWRACP-SNVBAGLBSA-N -1 1 296.363 3.273 20 0 CGADMM C[C@H](Oc1cnnc(=S)[n-]1)c1ccc2ccccc2c1 ZINC001228638803 817960116 /nfs/dbraw/zinc/96/01/16/817960116.db2.gz IDFFUHCWIKPSIX-JTQLQIEISA-N -1 1 283.356 3.454 20 0 CGADMM [O-]c1cccnc1-c1ncccc1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001231199146 818055943 /nfs/dbraw/zinc/05/59/43/818055943.db2.gz BCXQBTCSTLIHQR-ZSBIGDGJSA-N -1 1 268.316 3.027 20 0 CGADMM [O-]c1cc(CN2CCc3occc3C2)ccc1Cl ZINC001231737816 818163595 /nfs/dbraw/zinc/16/35/95/818163595.db2.gz WGGNIMRIVRIWKL-UHFFFAOYSA-N -1 1 263.724 3.197 20 0 CGADMM O=C1CCN(Cc2cccc([O-])c2Cl)[C@@H]2CCCC[C@H]12 ZINC001232784454 818439235 /nfs/dbraw/zinc/43/92/35/818439235.db2.gz MEHGASYCCUZWDG-QWHCGFSZSA-N -1 1 293.794 3.379 20 0 CGADMM [O-]c1cccc(CN2CCc3occc3C2)c1Cl ZINC001232788605 818441516 /nfs/dbraw/zinc/44/15/16/818441516.db2.gz FTGFCJYZKCSHQG-UHFFFAOYSA-N -1 1 263.724 3.197 20 0 CGADMM O=C1C[C@H]2CCC[C@@H](C1)N2Cc1cccc([O-])c1Cl ZINC001232787930 818441680 /nfs/dbraw/zinc/44/16/80/818441680.db2.gz DRMGCKDPADUSOL-TXEJJXNPSA-N -1 1 279.767 3.132 20 0 CGADMM [O-]c1c(F)ccc(CN2CCc3sccc3C2)c1F ZINC001232934201 818476137 /nfs/dbraw/zinc/47/61/37/818476137.db2.gz QCSBYGUIKULRKV-UHFFFAOYSA-N -1 1 281.327 3.290 20 0 CGADMM [O-]c1cc(CN2Cc3ccc(F)cc3C2)cc(F)c1F ZINC001232973300 818487973 /nfs/dbraw/zinc/48/79/73/818487973.db2.gz SNDGXRIJNVLCMD-UHFFFAOYSA-N -1 1 279.261 3.325 20 0 CGADMM C[C@@]1(F)CC[N@@H+](Cc2ccc([S-])cc2)C[C@@H]1F ZINC001233259057 818558351 /nfs/dbraw/zinc/55/83/51/818558351.db2.gz DUQFAHJBGDXEMN-QWHCGFSZSA-N -1 1 257.349 3.247 20 0 CGADMM C[C@@]1(F)CCN(Cc2ccc([S-])cc2)C[C@@H]1F ZINC001233259057 818558357 /nfs/dbraw/zinc/55/83/57/818558357.db2.gz DUQFAHJBGDXEMN-QWHCGFSZSA-N -1 1 257.349 3.247 20 0 CGADMM O=C1CCCN1c1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243342697 823357491 /nfs/dbraw/zinc/35/74/91/823357491.db2.gz OVUMYFZFCOUCCT-UHFFFAOYSA-N -1 1 289.281 3.464 20 0 CGADMM CC(=O)[C@@H](C)Oc1ccc(CC(=O)c2ccc([O-])cc2)cc1 ZINC001233941173 818736183 /nfs/dbraw/zinc/73/61/83/818736183.db2.gz IJWJARRHUSJULY-CYBMUJFWSA-N -1 1 298.338 3.174 20 0 CGADMM CN(C)C(=O)c1ccc(F)c(-c2ccc([O-])c(F)c2F)c1 ZINC001243344560 823360146 /nfs/dbraw/zinc/36/01/46/823360146.db2.gz GJUHXFDVERMGBH-UHFFFAOYSA-N -1 1 295.260 3.178 20 0 CGADMM COC(=O)c1cccc2[n-]c(O[C@H](C)CC(C)C)nc21 ZINC001234039474 818764646 /nfs/dbraw/zinc/76/46/46/818764646.db2.gz OPDLHDBMZBESQB-SNVBAGLBSA-N -1 1 276.336 3.163 20 0 CGADMM COC(=O)c1cccc2nc(O[C@H](C)CC(C)C)[n-]c21 ZINC001234039474 818764653 /nfs/dbraw/zinc/76/46/53/818764653.db2.gz OPDLHDBMZBESQB-SNVBAGLBSA-N -1 1 276.336 3.163 20 0 CGADMM Cc1ccc(F)c(-c2nc(C)nc3c2CCC3)c1[O-] ZINC001236389396 819446095 /nfs/dbraw/zinc/44/60/95/819446095.db2.gz DGIRDYMVLAKMOY-UHFFFAOYSA-N -1 1 258.296 3.094 20 0 CGADMM Cc1ccc(F)c(-c2cc(-c3cccnc3)ncn2)c1[O-] ZINC001236393115 819448754 /nfs/dbraw/zinc/44/87/54/819448754.db2.gz TUQONRUEDDOWIA-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM O=C1OCc2cc(-c3cc(F)cc(F)c3[O-])cc(F)c21 ZINC001243506705 823424673 /nfs/dbraw/zinc/42/46/73/823424673.db2.gz JWRKSAUAKYPILU-UHFFFAOYSA-N -1 1 280.201 3.147 20 0 CGADMM CC(=O)Nc1ccccc1-c1cc(F)cc(F)c1[O-] ZINC001243503247 823422795 /nfs/dbraw/zinc/42/27/95/823422795.db2.gz FDKNCQVWXNJEIU-UHFFFAOYSA-N -1 1 263.243 3.296 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc2ccnnc2c1 ZINC001243506319 823424057 /nfs/dbraw/zinc/42/40/57/823424057.db2.gz SNDCIILDZJPSIX-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@]3(CC3(F)F)C2)cc1Cl ZINC001238150870 819942844 /nfs/dbraw/zinc/94/28/44/819942844.db2.gz BYFFVBQPSFKEJS-LBPRGKRZSA-N -1 1 291.700 3.416 20 0 CGADMM [O-]c1cc(-c2nccnc2OC2CCC2)ccc1Cl ZINC001243579420 823453120 /nfs/dbraw/zinc/45/31/20/823453120.db2.gz UGJHOYFUCPLRMN-UHFFFAOYSA-N -1 1 276.723 3.434 20 0 CGADMM CSc1ncc(F)c(-c2ccc(Cl)c([O-])c2)n1 ZINC001243576508 823450959 /nfs/dbraw/zinc/45/09/59/823450959.db2.gz IWGSGKMNYAHAGG-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM COc1cc(-c2ccc(Cl)c([O-])c2)nc(SC)n1 ZINC001243576645 823451327 /nfs/dbraw/zinc/45/13/27/823451327.db2.gz RIPDZSKRSGRESZ-UHFFFAOYSA-N -1 1 282.752 3.233 20 0 CGADMM Cc1c[nH]c2ncnc(-c3ccc(Cl)c([O-])c3)c12 ZINC001243576759 823451443 /nfs/dbraw/zinc/45/14/43/823451443.db2.gz MKWRELXJBKROGG-UHFFFAOYSA-N -1 1 259.696 3.244 20 0 CGADMM COC(=O)[C@H](C)c1ccc(-c2ccc(Cl)c([O-])c2)nc1 ZINC001243578485 823452919 /nfs/dbraw/zinc/45/29/19/823452919.db2.gz GPSACWSBTNUVNK-SECBINFHSA-N -1 1 291.734 3.384 20 0 CGADMM CC(C)n1cccc(-c2ccc(Cl)c([O-])c2)c1=O ZINC001243583000 823454858 /nfs/dbraw/zinc/45/48/58/823454858.db2.gz GSEYCFWVDYNUCX-UHFFFAOYSA-N -1 1 263.724 3.455 20 0 CGADMM O=c1cc(-c2ccc(Cl)c([O-])c2)ccn1-c1ccccn1 ZINC001243584913 823456070 /nfs/dbraw/zinc/45/60/70/823456070.db2.gz ZGTPGGNWWFYCQR-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1cc2nccnc2cn1 ZINC001243608388 823465721 /nfs/dbraw/zinc/46/57/21/823465721.db2.gz IKNQVCQXWXOXQV-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM Cn1ccc2nc(-c3ccc(C(F)(F)F)cc3[O-])cnc21 ZINC001243609588 823466382 /nfs/dbraw/zinc/46/63/82/823466382.db2.gz REBZHWFMXRWQHB-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM COCc1ccc(-c2ccc(C(F)(F)F)cc2[O-])nn1 ZINC001243610966 823467185 /nfs/dbraw/zinc/46/71/85/823467185.db2.gz XSUFRMKEAIGAOS-UHFFFAOYSA-N -1 1 284.237 3.014 20 0 CGADMM CCOC(=O)c1cc(C)cnc1-c1cc(F)ccc1[O-] ZINC001240693183 821249484 /nfs/dbraw/zinc/24/94/84/821249484.db2.gz FWVSKJJYXWKLGG-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM COc1cc(C)c2ncnc(-c3cc(F)ccc3[O-])c2c1 ZINC001240696314 821252534 /nfs/dbraw/zinc/25/25/34/821252534.db2.gz MHRFGVXOXJYJJA-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM C[C@@H]1CCc2nnc(-c3cc(F)ccc3[O-])cc2C1 ZINC001240696509 821252936 /nfs/dbraw/zinc/25/29/36/821252936.db2.gz QJMUDIKNOWBHNF-SECBINFHSA-N -1 1 258.296 3.113 20 0 CGADMM [O-]c1cc(F)c(-c2ccnc(-c3nccs3)n2)c(F)c1 ZINC001241119404 821574611 /nfs/dbraw/zinc/57/46/11/821574611.db2.gz MDDDJJOMHHWNAE-UHFFFAOYSA-N -1 1 291.282 3.251 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(-c3ccco3)nn2)c(F)c1 ZINC001241119819 821575539 /nfs/dbraw/zinc/57/55/39/821575539.db2.gz RWTNVCORZDASDY-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM COC(=O)Cc1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241121974 821578306 /nfs/dbraw/zinc/57/83/06/821578306.db2.gz GKWCXAQIMDLDSZ-UHFFFAOYSA-N -1 1 278.254 3.053 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)NCCO3)c(F)c1 ZINC001241121684 821578457 /nfs/dbraw/zinc/57/84/57/821578457.db2.gz BFEWEQRSRZNSBM-UHFFFAOYSA-N -1 1 263.243 3.142 20 0 CGADMM CC(C)(C)c1ncc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241122620 821578532 /nfs/dbraw/zinc/57/85/32/821578532.db2.gz IFLNNNWEPXEKDJ-UHFFFAOYSA-N -1 1 264.275 3.425 20 0 CGADMM CC(C)COc1ncc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241124708 821581241 /nfs/dbraw/zinc/58/12/41/821581241.db2.gz KNBXULSYGILWMO-UHFFFAOYSA-N -1 1 280.274 3.162 20 0 CGADMM Cc1nc2cccc(-c3ccc(C(=O)[O-])c(F)c3)c2[nH]1 ZINC001241185154 821622818 /nfs/dbraw/zinc/62/28/18/821622818.db2.gz GUDFRUYPHFFYPL-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM CSc1cccnc1-c1c(F)ccc([O-])c1F ZINC001241288958 821706409 /nfs/dbraw/zinc/70/64/09/821706409.db2.gz CWBSSMFIOMUQKI-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM CSc1nc(C)cc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290176 821706495 /nfs/dbraw/zinc/70/64/95/821706495.db2.gz IYTOYGVNEJRRSD-UHFFFAOYSA-N -1 1 268.288 3.158 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3ncc(F)cc3n2)c1F ZINC001241289195 821706519 /nfs/dbraw/zinc/70/65/19/821706519.db2.gz NDBMZBVDLOHRCL-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM CCCCc1cc(-c2c(F)ccc([O-])c2F)ncn1 ZINC001241289921 821707064 /nfs/dbraw/zinc/70/70/64/821707064.db2.gz GDUVRMVRWHJYQP-UHFFFAOYSA-N -1 1 264.275 3.470 20 0 CGADMM CSc1ncc(C)c(-c2c(F)ccc([O-])c2F)n1 ZINC001241290805 821708437 /nfs/dbraw/zinc/70/84/37/821708437.db2.gz FIQVTSLDCFZYQO-UHFFFAOYSA-N -1 1 268.288 3.158 20 0 CGADMM CC(C)Cc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1 ZINC001241326706 821734315 /nfs/dbraw/zinc/73/43/15/821734315.db2.gz ZWRSAUOTKMWFTI-UHFFFAOYSA-N -1 1 290.299 3.355 20 0 CGADMM CC(C)Cc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1 ZINC001241326706 821734322 /nfs/dbraw/zinc/73/43/22/821734322.db2.gz ZWRSAUOTKMWFTI-UHFFFAOYSA-N -1 1 290.299 3.355 20 0 CGADMM CC1(C)C=C(c2ccc(-c3nnn[n-]3)nc2)CC(C)(C)C1 ZINC001241893374 822201516 /nfs/dbraw/zinc/20/15/16/822201516.db2.gz IKHCVMRTINBARB-UHFFFAOYSA-N -1 1 283.379 3.491 20 0 CGADMM CC1(C)C=C(c2ccc(-c3nn[n-]n3)nc2)CC(C)(C)C1 ZINC001241893374 822201520 /nfs/dbraw/zinc/20/15/20/822201520.db2.gz IKHCVMRTINBARB-UHFFFAOYSA-N -1 1 283.379 3.491 20 0 CGADMM Cn1cnc2ccnc(-c3ccc([O-])c(C(F)(F)F)c3)c21 ZINC001242151590 822896378 /nfs/dbraw/zinc/89/63/78/822896378.db2.gz QUGPUOCGUXULFF-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM CN(C)Cc1cc(-c2cccc(CC(=O)[O-])c2)ccc1F ZINC001242265895 822931212 /nfs/dbraw/zinc/93/12/12/822931212.db2.gz PETRMGAFNPVZSW-UHFFFAOYSA-N -1 1 287.334 3.181 20 0 CGADMM Cc1cccc(-c2ncnc(-c3cccc(F)c3)n2)c1[O-] ZINC001242345845 822958214 /nfs/dbraw/zinc/95/82/14/822958214.db2.gz VTCKBRLXKLPWMG-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM CCOc1nc(-c2cccc(C)c2[O-])nc2c1CCCC2 ZINC001242345676 822958446 /nfs/dbraw/zinc/95/84/46/822958446.db2.gz XUZSRRRDWIKVJH-UHFFFAOYSA-N -1 1 284.359 3.435 20 0 CGADMM O=c1c(-c2cccc(F)c2[O-])cccn1-c1ccc(F)cc1 ZINC001242352845 822962814 /nfs/dbraw/zinc/96/28/14/822962814.db2.gz RPDLTLJYHNEUPW-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM CN(C)C(=O)c1ccc(F)c(-c2cccc(F)c2[O-])c1 ZINC001242354193 822963169 /nfs/dbraw/zinc/96/31/69/822963169.db2.gz SSPNMXFUUHLEQE-UHFFFAOYSA-N -1 1 277.270 3.039 20 0 CGADMM CN1C(=O)COc2ccc(-c3cccc(Cl)c3[O-])cc21 ZINC001242365126 822968446 /nfs/dbraw/zinc/96/84/46/822968446.db2.gz WUNBVTMUTACSHO-UHFFFAOYSA-N -1 1 289.718 3.068 20 0 CGADMM O=C([O-])c1cccc(-c2cccc3nc[nH]c32)c1F ZINC001242380955 822975124 /nfs/dbraw/zinc/97/51/24/822975124.db2.gz ZHTDXVHCBBQYFQ-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccnn3C(C)C)ccc2[n-]1 ZINC001242558193 823031996 /nfs/dbraw/zinc/03/19/96/823031996.db2.gz GIUBFVGDWHGVPZ-UHFFFAOYSA-N -1 1 298.346 3.184 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccnn3C(C)C)cc2[n-]1 ZINC001242558193 823031999 /nfs/dbraw/zinc/03/19/99/823031999.db2.gz GIUBFVGDWHGVPZ-UHFFFAOYSA-N -1 1 298.346 3.184 20 0 CGADMM CC1(C(=O)Nc2ccc(Br)c([O-])c2)CCC1 ZINC001339077837 936349048 /nfs/dbraw/zinc/34/90/48/936349048.db2.gz PRZSWXBMVJNPGX-UHFFFAOYSA-N -1 1 284.153 3.283 20 0 CGADMM [O-]c1c(F)cccc1NC(=S)NCc1ccccc1 ZINC000168438273 926726834 /nfs/dbraw/zinc/72/68/34/926726834.db2.gz RGZFKCGOAGNCCM-UHFFFAOYSA-N -1 1 276.336 3.018 20 0 CGADMM CC[C@H](C)[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000042435358 928204085 /nfs/dbraw/zinc/20/40/85/928204085.db2.gz CQRRHHBQUSADIS-DTWKUNHWSA-N -1 1 255.745 3.210 20 0 CGADMM COc1ncc(Nc2cc([O-])c(Cl)cc2F)s1 ZINC001175391827 928235159 /nfs/dbraw/zinc/23/51/59/928235159.db2.gz XGJMTZQJUHIMSZ-UHFFFAOYSA-N -1 1 274.704 3.393 20 0 CGADMM CCCN(CC(C)C)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001440800878 937333992 /nfs/dbraw/zinc/33/39/92/937333992.db2.gz YFRALNMGQPZVPZ-UHFFFAOYSA-N -1 1 277.364 3.021 20 0 CGADMM Cc1cccc(C(C)(C)CNC(=O)c2ncc(C)cc2[O-])c1 ZINC001442569663 937342993 /nfs/dbraw/zinc/34/29/93/937342993.db2.gz DZQJRIQJWCBASQ-UHFFFAOYSA-N -1 1 298.386 3.112 20 0 CGADMM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001443161684 937345508 /nfs/dbraw/zinc/34/55/08/937345508.db2.gz LQFIZYWHPYHSOA-CHWSQXEVSA-N -1 1 276.380 3.122 20 0 CGADMM CC[C@@H]1CCCCCN1C(=O)c1cccc([O-])c1F ZINC001444339413 937352007 /nfs/dbraw/zinc/35/20/07/937352007.db2.gz AYHZCEBBADWRHH-LLVKDONJSA-N -1 1 265.328 3.326 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)c([O-])c1 ZINC001445163023 937355883 /nfs/dbraw/zinc/35/58/83/937355883.db2.gz ODRINNJCYDSRMN-CHWSQXEVSA-N -1 1 284.359 3.018 20 0 CGADMM CC1(C)CC[C@H](NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001446270940 937362715 /nfs/dbraw/zinc/36/27/15/937362715.db2.gz CLBFZLZMVWUPNH-LBPRGKRZSA-N -1 1 284.359 3.249 20 0 CGADMM Cc1cc(F)ccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001449452335 937379604 /nfs/dbraw/zinc/37/96/04/937379604.db2.gz ZWZDEVUBIJLUMK-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM C[C@H](Cc1ccco1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001449448238 937379623 /nfs/dbraw/zinc/37/96/23/937379623.db2.gz NWIHRVCQWJGJPY-MRVPVSSYSA-N -1 1 281.258 3.081 20 0 CGADMM CCc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1OC ZINC001449716783 937381239 /nfs/dbraw/zinc/38/12/39/937381239.db2.gz WEDPQVPQXCVEAE-UHFFFAOYSA-N -1 1 289.306 3.355 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CC[C@H](C2CCCC2)C1 ZINC001451827411 937392543 /nfs/dbraw/zinc/39/25/43/937392543.db2.gz WKESOFXTZNZNOI-LBPRGKRZSA-N -1 1 277.339 3.184 20 0 CGADMM Cc1cc(C(=O)Nc2cc([O-])c(F)cc2F)oc1C ZINC001450892452 937387808 /nfs/dbraw/zinc/38/78/08/937387808.db2.gz BCHFZNHKLHTKLW-UHFFFAOYSA-N -1 1 267.231 3.133 20 0 CGADMM Cc1cnc(C(=O)N[C@@]2(c3ccccc3)CC2(C)C)c([O-])c1 ZINC001454059844 937407099 /nfs/dbraw/zinc/40/70/99/937407099.db2.gz LLGSTSGHXFQNCV-GOSISDBHSA-N -1 1 296.370 3.151 20 0 CGADMM Cc1ncccc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC001454539923 937409543 /nfs/dbraw/zinc/40/95/43/937409543.db2.gz GZDGUOVOWQXQMO-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM CCCCOC[C@@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135149 932102699 /nfs/dbraw/zinc/10/26/99/932102699.db2.gz KVJZERBUYGKHIN-LLVKDONJSA-N -1 1 292.331 3.083 20 0 CGADMM CC(C)OC(=O)COc1cc([O-])c(Cl)cc1Cl ZINC001229411842 932142885 /nfs/dbraw/zinc/14/28/85/932142885.db2.gz VJDFKRCSDRBJKV-UHFFFAOYSA-N -1 1 279.119 3.029 20 0 CGADMM COc1c(=O)[n-]c(C)nc1O[C@H](C)c1ccccc1Cl ZINC001230022967 932524140 /nfs/dbraw/zinc/52/41/40/932524140.db2.gz ZGAMAAGONWJBES-MRVPVSSYSA-N -1 1 294.738 3.293 20 0 CGADMM COc1c(=O)[n-]c(C)nc1O[C@@H](C)c1ccc(Cl)cc1 ZINC001230021183 932524146 /nfs/dbraw/zinc/52/41/46/932524146.db2.gz LLARXIYNFNWZJK-QMMMGPOBSA-N -1 1 294.738 3.293 20 0 CGADMM [O-]c1ccc(CN[C@H]2COCc3ccccc32)c(F)c1F ZINC001462360409 937635521 /nfs/dbraw/zinc/63/55/21/937635521.db2.gz SUXGGUKNKWROST-ZDUSSCGKSA-N -1 1 291.297 3.032 20 0 CGADMM CN(C(=O)c1ccc([O-])cn1)c1ccc2ccccc2c1 ZINC001463916799 937682910 /nfs/dbraw/zinc/68/29/10/937682910.db2.gz FXVCAUSHXUPXGF-UHFFFAOYSA-N -1 1 278.311 3.217 20 0 CGADMM CCCC[C@H](CC)CNC(=O)c1ccc(F)c([O-])c1 ZINC001464034963 937685034 /nfs/dbraw/zinc/68/50/34/937685034.db2.gz ZSKXHMGTPSXZPR-NSHDSACASA-N -1 1 267.344 3.478 20 0 CGADMM O=C(N[C@@H]1CC=CCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001465270617 937699635 /nfs/dbraw/zinc/69/96/35/937699635.db2.gz NDECZRPCNJOWAT-GFCCVEGCSA-N -1 1 283.327 3.090 20 0 CGADMM CC1(c2ccccc2)CC(NC(=O)c2cccc([O-])c2F)C1 ZINC001467602354 937719544 /nfs/dbraw/zinc/71/95/44/937719544.db2.gz ZIXDYRCHCJNLTN-UHFFFAOYSA-N -1 1 299.345 3.381 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1C[C@H]1c1ccccc1 ZINC001468747934 937731326 /nfs/dbraw/zinc/73/13/26/937731326.db2.gz OVXAIAQFKGYHPA-WDEREUQCSA-N -1 1 289.281 3.413 20 0 CGADMM CC1(C)CCC[C@H]1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001468348204 937727210 /nfs/dbraw/zinc/72/72/10/937727210.db2.gz QXOABUHSPCIIAL-ZDUSSCGKSA-N -1 1 298.386 3.497 20 0 CGADMM Cc1oc2ccccc2c1CC(=O)[N-]OC(C)(C)C ZINC001320415549 934045544 /nfs/dbraw/zinc/04/55/44/934045544.db2.gz QRGUQHUIXRSPHR-UHFFFAOYSA-N -1 1 261.321 3.130 20 0 CGADMM O=C(NCc1cccc(C(F)F)c1)c1c([O-])cccc1F ZINC001320833811 934110807 /nfs/dbraw/zinc/11/08/07/934110807.db2.gz UCRFQJCSAHNBLC-UHFFFAOYSA-N -1 1 295.260 3.399 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)[C@@H]1CC12CCC2 ZINC001321279068 934172005 /nfs/dbraw/zinc/17/20/05/934172005.db2.gz WRPURVCPOBZYLN-VIFPVBQESA-N -1 1 296.164 3.283 20 0 CGADMM Cc1cnc(NC(=O)c2cc3ccccc3cc2[O-])o1 ZINC001335288407 936137292 /nfs/dbraw/zinc/13/72/92/936137292.db2.gz OMFIOZOCWNZRRK-UHFFFAOYSA-N -1 1 268.272 3.094 20 0 CGADMM O=C(NCc1ccc(Cl)cc1Cl)c1ccc([O-])cn1 ZINC001540338640 938130333 /nfs/dbraw/zinc/13/03/33/938130333.db2.gz IYXNDOXBOMCYKC-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM Cc1cc(NC(=O)c2cccc([O-])c2F)ccc1N(C)C ZINC001540515266 938131812 /nfs/dbraw/zinc/13/18/12/938131812.db2.gz YHWKOMSASKFVDC-UHFFFAOYSA-N -1 1 288.322 3.158 20 0 CGADMM Cc1ccc([C@@H](C)NC(=O)c2cccc([O-])c2F)cc1 ZINC001540787001 938133804 /nfs/dbraw/zinc/13/38/04/938133804.db2.gz RBTNKNMHQNJWDY-LLVKDONJSA-N -1 1 273.307 3.331 20 0 CGADMM CCC1CCC(CNC(=O)c2cccc([O-])c2F)CC1 ZINC001542193616 938135335 /nfs/dbraw/zinc/13/53/35/938135335.db2.gz VJJLISSCTQMIHZ-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001544810061 938147080 /nfs/dbraw/zinc/14/70/80/938147080.db2.gz ZLGSQWLRKHVLHI-QWHCGFSZSA-N -1 1 290.407 3.370 20 0 CGADMM Cc1ccnc(C(=O)N([C@H](C)c2ccccc2)C2CC2)c1[O-] ZINC001550362947 938166204 /nfs/dbraw/zinc/16/62/04/938166204.db2.gz YKJUVHNOEZZXCC-CYBMUJFWSA-N -1 1 296.370 3.461 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCCCC2(CCC2)C1 ZINC001551631947 938183083 /nfs/dbraw/zinc/18/30/83/938183083.db2.gz LRLHPTSYUOPCAI-UHFFFAOYSA-N -1 1 277.339 3.328 20 0 CGADMM CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001556810431 938205845 /nfs/dbraw/zinc/20/58/45/938205845.db2.gz KBNLMBMENCYLOI-YPMHNXCESA-N -1 1 279.355 3.478 20 0 CGADMM CCC[C@@H](NC(=O)c1cccc([O-])c1F)C1CCC1 ZINC001556980708 938206988 /nfs/dbraw/zinc/20/69/88/938206988.db2.gz MZAMGORNUQCXGL-GFCCVEGCSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1csc([C@@H](C)C(=O)Nc2c([O-])cccc2F)n1 ZINC001557408454 938209753 /nfs/dbraw/zinc/20/97/53/938209753.db2.gz SIISTGGSJVFHLS-QMMMGPOBSA-N -1 1 280.324 3.038 20 0 CGADMM Cc1c(F)cccc1C(=O)Nc1c([O-])cccc1F ZINC001557409822 938209900 /nfs/dbraw/zinc/20/99/00/938209900.db2.gz XXJISDWCSLTFPU-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM COc1cccc([C@@H](C)C(=O)Nc2cccc(F)c2[O-])c1 ZINC001557955377 938212768 /nfs/dbraw/zinc/21/27/68/938212768.db2.gz ARBNUTHXTICBOU-SNVBAGLBSA-N -1 1 289.306 3.282 20 0 CGADMM C/C(=C/c1ccco1)C(=O)Nc1ccc(F)cc1[O-] ZINC001558956026 938218719 /nfs/dbraw/zinc/21/87/19/938218719.db2.gz URSZKEDKQHOOHN-CLFYSBASSA-N -1 1 261.252 3.166 20 0 CGADMM O=C([O-])c1ccccc1CNCc1cccc(O)c1Cl ZINC001595254950 949582112 /nfs/dbraw/zinc/58/21/12/949582112.db2.gz AMMTXFMGIHOWCH-UHFFFAOYSA-N -1 1 291.734 3.034 20 0 CGADMM CC1=C(C)CN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000382504393 971818883 /nfs/dbraw/zinc/81/88/83/971818883.db2.gz UFMSAIQHVRSHRA-UHFFFAOYSA-N -1 1 263.312 3.066 20 0 CGADMM CN(Cc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cn1 ZINC000094762318 958306980 /nfs/dbraw/zinc/30/69/80/958306980.db2.gz KDCRRFBZXBAFNS-UHFFFAOYSA-N -1 1 290.750 3.065 20 0 CGADMM C[C@@H](N[C@H](C)c1ccccc1)c1ccc(C(=O)[O-])o1 ZINC000232424461 960266058 /nfs/dbraw/zinc/26/60/58/960266058.db2.gz JATZHFFHHWPPOR-GHMZBOCLSA-N -1 1 259.305 3.390 20 0 CGADMM C[C@H]1C[C@H](NC(=O)c2cccc([O-])c2F)C[C@@H](C)C1 ZINC001565824744 960835177 /nfs/dbraw/zinc/83/51/77/960835177.db2.gz PWQLXMQOSUXSOI-URLYPYJESA-N -1 1 265.328 3.086 20 0 CGADMM O=C(Cc1ccc(F)cc1F)Nc1ccc([O-])c(F)c1F ZINC001569010717 961660985 /nfs/dbraw/zinc/66/09/85/961660985.db2.gz KRFAUHSZYCGXBF-UHFFFAOYSA-N -1 1 299.223 3.130 20 0 CGADMM CC[C@@H](N[C@@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC001573810180 962286932 /nfs/dbraw/zinc/28/69/32/962286932.db2.gz AGUTZOJCSLCBKY-CMPLNLGQSA-N -1 1 261.321 3.255 20 0 CGADMM Cc1ccccc1N(C)C(=O)c1cccc([O-])c1F ZINC001585445477 963015105 /nfs/dbraw/zinc/01/51/05/963015105.db2.gz QBUPEDVXFGZQRJ-UHFFFAOYSA-N -1 1 259.280 3.116 20 0 CGADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)c([O-])c1 ZINC001586712008 963127373 /nfs/dbraw/zinc/12/73/73/963127373.db2.gz KYZBSNNVDBGGBW-JTNHKYCSSA-N -1 1 277.339 3.325 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccc2cccnc2c1 ZINC001587389311 963190386 /nfs/dbraw/zinc/19/03/86/963190386.db2.gz GVOFXGXFMBPXIP-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cc2ccccc2[nH]c1=O ZINC001587389719 963191645 /nfs/dbraw/zinc/19/16/45/963191645.db2.gz QBUKIHJGVBMVBC-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM CCC1(CC)CN([C@H](C(=O)[O-])c2ccsc2)CCS1 ZINC001595375339 980894575 /nfs/dbraw/zinc/89/45/75/980894575.db2.gz FWIJXQYXQXKVJP-LBPRGKRZSA-N -1 1 299.461 3.481 20 0 CGADMM CC[C@@H]1c2ccccc2CCN1Cc1cncc(C(=O)[O-])c1 ZINC001595505005 981280639 /nfs/dbraw/zinc/28/06/39/981280639.db2.gz UNXKPUPIOIHJPJ-QGZVFWFLSA-N -1 1 296.370 3.289 20 0 CGADMM CC(C)(C)[C@@H]1CCCN(Cc2ncc(C(=O)[O-])s2)C1 ZINC001589732401 987960654 /nfs/dbraw/zinc/96/06/54/987960654.db2.gz KLGWUVYDGKRTCW-SNVBAGLBSA-N -1 1 282.409 3.099 20 0 CGADMM CCc1cnccc1[C@H](C)N[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001597637183 988622505 /nfs/dbraw/zinc/62/25/05/988622505.db2.gz YHJKDTJIKJCFKM-RYUDHWBXSA-N -1 1 299.374 3.149 20 0 CGADMM CCc1oc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1C(=O)[O-] ZINC001597796778 989355672 /nfs/dbraw/zinc/35/56/72/989355672.db2.gz RSXQHNVZOLYYNH-GXTWGEPZSA-N -1 1 299.317 3.017 20 0 CGADMM CCc1oc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1C(=O)[O-] ZINC001597796780 989356654 /nfs/dbraw/zinc/35/66/54/989356654.db2.gz RSXQHNVZOLYYNH-OCCSQVGLSA-N -1 1 299.317 3.017 20 0 CGADMM CC(C)(N[C@@H](C(=O)[O-])c1ccccc1)c1cccs1 ZINC001590866892 990763354 /nfs/dbraw/zinc/76/33/54/990763354.db2.gz GWDKJLGZXZOUSP-CYBMUJFWSA-N -1 1 275.373 3.399 20 0 CGADMM CC(C)[C@@H]1CCCN([C@@H](C)c2nc(C(=O)[O-])co2)CC1 ZINC001591087413 991607299 /nfs/dbraw/zinc/60/72/99/991607299.db2.gz KQHCAQDQVCDJGN-NWDGAFQWSA-N -1 1 280.368 3.192 20 0 CGADMM CN(Cc1cc2ccccc2o1)Cc1occc1C(=O)[O-] ZINC001598508919 992542658 /nfs/dbraw/zinc/54/26/58/992542658.db2.gz MDAPEHJFDMODKP-UHFFFAOYSA-N -1 1 285.299 3.356 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCCCC[C@H]1C ZINC001594372430 999406974 /nfs/dbraw/zinc/40/69/74/999406974.db2.gz XULNJKLCXLWCIP-ZJUUUORDSA-N -1 1 268.382 3.167 20 0 CGADMM CC(C)(CNC(=O)c1ccc([O-])c(F)c1)CC(F)(F)F ZINC000621225932 349477202 /nfs/dbraw/zinc/47/72/02/349477202.db2.gz FUROYMMYGPRNDU-UHFFFAOYSA-N -1 1 293.260 3.240 20 0 CGADMM CC(C)C(C)(C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000590244174 346838172 /nfs/dbraw/zinc/83/81/72/346838172.db2.gz QRQFTQRSILNFKR-UHFFFAOYSA-N -1 1 255.745 3.210 20 0 CGADMM Cc1ccc([C@@H](C)CNC(=O)c2cc(F)ccc2[O-])cc1 ZINC000622383633 349675625 /nfs/dbraw/zinc/67/56/25/349675625.db2.gz JLCXELWVNUJNLA-LBPRGKRZSA-N -1 1 287.334 3.373 20 0 CGADMM CC[C@H](NC(=O)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000436832478 529560670 /nfs/dbraw/zinc/56/06/70/529560670.db2.gz VUWLALUTGCINMD-VIFPVBQESA-N -1 1 281.661 3.116 20 0 CGADMM CCOCc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000591726123 346933730 /nfs/dbraw/zinc/93/37/30/346933730.db2.gz FGZAGSSLXWUXLN-UHFFFAOYSA-N -1 1 298.317 3.266 20 0 CGADMM CN(Cc1ccc[nH]1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436574322 529992322 /nfs/dbraw/zinc/99/23/22/529992322.db2.gz KNYGDNOBIZGOLT-UHFFFAOYSA-N -1 1 280.327 3.146 20 0 CGADMM O=C([N-]c1cnoc1)c1cc(Cl)sc1Cl ZINC000623941969 349922616 /nfs/dbraw/zinc/92/26/16/349922616.db2.gz OBLMCDVVTDQGLS-UHFFFAOYSA-N -1 1 263.105 3.295 20 0 CGADMM O=C([O-])c1ccc(CN(Cc2cccs2)C2CC2)o1 ZINC000049024470 345070494 /nfs/dbraw/zinc/07/04/94/345070494.db2.gz CLLHFAJYYSHCAF-UHFFFAOYSA-N -1 1 277.345 3.204 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ccccc2OC)n1 ZINC000060965825 345225531 /nfs/dbraw/zinc/22/55/31/345225531.db2.gz VYANQGPKROOSAJ-UHFFFAOYSA-N -1 1 290.388 3.023 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccncc2)c([O-])c1 ZINC000059368758 345207231 /nfs/dbraw/zinc/20/72/31/345207231.db2.gz BKEULPMCWVLBKP-UHFFFAOYSA-N -1 1 256.305 3.163 20 0 CGADMM COCCn1nc(C)c([N-]c2nc3ccccc3o2)c1C ZINC000080249256 345669878 /nfs/dbraw/zinc/66/98/78/345669878.db2.gz WMGDBCASMKTGOF-UHFFFAOYSA-N -1 1 286.335 3.031 20 0 CGADMM O=C([O-])C[C@@H]1CCCN1Cc1cccc(Cl)c1Cl ZINC000086791090 345751160 /nfs/dbraw/zinc/75/11/60/345751160.db2.gz NKCRDZKQIFCDLK-JTQLQIEISA-N -1 1 288.174 3.433 20 0 CGADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1cccc(Cl)c1Cl ZINC000092943475 345864362 /nfs/dbraw/zinc/86/43/62/345864362.db2.gz XPYKVKCQWVHQHW-PSASIEDQSA-N -1 1 288.174 3.288 20 0 CGADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1cc(Cl)cc(Cl)c1 ZINC000092942106 345863419 /nfs/dbraw/zinc/86/34/19/345863419.db2.gz TVLJMOSJDNQMEY-PRHODGIISA-N -1 1 288.174 3.288 20 0 CGADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccccn1 ZINC000172050452 232270533 /nfs/dbraw/zinc/27/05/33/232270533.db2.gz ITRXEOQIILYCKA-LBPRGKRZSA-N -1 1 292.338 3.431 20 0 CGADMM C[C@H](c1ccc(F)cc1F)N1CCC(CC(=O)[O-])CC1 ZINC000093682174 345884305 /nfs/dbraw/zinc/88/43/05/345884305.db2.gz XELKRGWDQCFMLZ-SNVBAGLBSA-N -1 1 283.318 3.213 20 0 CGADMM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc(F)ccc1[O-] ZINC000175191100 232315141 /nfs/dbraw/zinc/31/51/41/232315141.db2.gz BEDWEYYHNBWOIU-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM Cc1occc1CN(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234282722 346331598 /nfs/dbraw/zinc/33/15/98/346331598.db2.gz MKYVKTCFIOOBJL-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM O=C(CCC1CCCC1)Nc1c([O-])cccc1F ZINC000605439126 348156002 /nfs/dbraw/zinc/15/60/02/348156002.db2.gz VBJZKNVKXPCNIV-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM C[C@H](Oc1cccc(F)c1)C(=O)Nc1c([O-])cccc1F ZINC000608367448 348302461 /nfs/dbraw/zinc/30/24/61/348302461.db2.gz ZJJQBIAXHIJYRY-VIFPVBQESA-N -1 1 293.269 3.076 20 0 CGADMM CN(C[C@H]1CC=CCC1)C(=O)c1ncc2ccccc2c1[O-] ZINC000613449219 348604875 /nfs/dbraw/zinc/60/48/75/348604875.db2.gz VXDCRVKJPNSSPH-ZDUSSCGKSA-N -1 1 296.370 3.369 20 0 CGADMM CCS[C@@H]1CCCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000613508248 348613314 /nfs/dbraw/zinc/61/33/14/348613314.db2.gz NDNZDKFJCJZROW-GFCCVEGCSA-N -1 1 297.395 3.279 20 0 CGADMM O=C(N[C@]12C[C@H]1CCC2)c1ccc(C(F)(F)F)cc1[O-] ZINC000617212352 348935081 /nfs/dbraw/zinc/93/50/81/348935081.db2.gz XDXYXQALXOZLED-NOZJJQNGSA-N -1 1 285.265 3.083 20 0 CGADMM O=C(c1cccc2nn[nH]c21)N1CC[C@@H](C2CCCCC2)C1 ZINC000618185043 349058489 /nfs/dbraw/zinc/05/84/89/349058489.db2.gz KJFKXFRUOUNEGF-CYBMUJFWSA-N -1 1 298.390 3.000 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@@H](C3CCCCC3)C2)c([O-])c1 ZINC000618186716 349059707 /nfs/dbraw/zinc/05/97/07/349059707.db2.gz RBUFVOJXKXFLOR-CQSZACIVSA-N -1 1 288.391 3.138 20 0 CGADMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000619133442 349211148 /nfs/dbraw/zinc/21/11/48/349211148.db2.gz LUTDLJCRGNVOGV-GHMZBOCLSA-N -1 1 265.328 3.182 20 0 CGADMM CN(C[C@@H]1CCc2ccccc21)C(=O)c1c([O-])cccc1F ZINC000620686119 349411136 /nfs/dbraw/zinc/41/11/36/349411136.db2.gz BVSMIKJYFCLNHK-ZDUSSCGKSA-N -1 1 299.345 3.333 20 0 CGADMM CN(C[C@H]1CCc2ccccc21)C(=O)c1c([O-])cccc1F ZINC000620686118 349411220 /nfs/dbraw/zinc/41/12/20/349411220.db2.gz BVSMIKJYFCLNHK-CYBMUJFWSA-N -1 1 299.345 3.333 20 0 CGADMM CCO[C@@H](c1nc(-c2ccc([O-])cc2F)no1)C1CC1 ZINC000624576782 350066503 /nfs/dbraw/zinc/06/65/03/350066503.db2.gz RTOBFZRZPHIDLP-GFCCVEGCSA-N -1 1 278.283 3.069 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000271321124 191072921 /nfs/dbraw/zinc/07/29/21/191072921.db2.gz YJCXPMIXULZRBI-KCXRBIIJSA-N -1 1 289.350 3.182 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2nc(C)oc2C)n1 ZINC000629090337 350649590 /nfs/dbraw/zinc/64/95/90/350649590.db2.gz TYGDMKGWVPLJTK-UHFFFAOYSA-N -1 1 279.365 3.032 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CC12CCSCC2 ZINC000628960277 350626455 /nfs/dbraw/zinc/62/64/55/350626455.db2.gz MSYKXWKHIJUPPS-VIFPVBQESA-N -1 1 281.352 3.003 20 0 CGADMM Cc1nc(CSc2nc(C(F)F)cc(=O)[n-]2)c(C)o1 ZINC000629183433 350665105 /nfs/dbraw/zinc/66/51/05/350665105.db2.gz NOPDTQITZHBTGW-UHFFFAOYSA-N -1 1 287.291 3.017 20 0 CGADMM O=C(CC1=CCCCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378465 350684413 /nfs/dbraw/zinc/68/44/13/350684413.db2.gz PSCPNBMHCIPQCI-UHFFFAOYSA-N -1 1 297.358 3.407 20 0 CGADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629379088 350684818 /nfs/dbraw/zinc/68/48/18/350684818.db2.gz MJZSKZDFQPJXKC-YOEHRIQHSA-N -1 1 299.374 3.199 20 0 CGADMM CO[C@H](CSc1nc(C)c(C2CC2)c(=O)[n-]1)C1CCC1 ZINC000631023388 350926948 /nfs/dbraw/zinc/92/69/48/350926948.db2.gz PHLXKTQXKIXXPL-GFCCVEGCSA-N -1 1 294.420 3.275 20 0 CGADMM C[C@@H](c1ccco1)N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630705943 350875878 /nfs/dbraw/zinc/87/58/78/350875878.db2.gz RLCWMOGNZVWLQR-JTQLQIEISA-N -1 1 293.750 3.401 20 0 CGADMM CC[C@](C)(OC)c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000632147041 351172886 /nfs/dbraw/zinc/17/28/86/351172886.db2.gz ZZYSPYCMJRNUPU-AWEZNQCLSA-N -1 1 296.754 3.291 20 0 CGADMM C[C@@H]1CC[C@H](c2noc(Cc3ccc([O-])c(Cl)c3)n2)O1 ZINC000632176353 351177124 /nfs/dbraw/zinc/17/71/24/351177124.db2.gz QGSMHLYMHCBQDJ-PRHODGIISA-N -1 1 294.738 3.259 20 0 CGADMM CC[C@@H]1CC[C@H](C)N1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632281337 351190526 /nfs/dbraw/zinc/19/05/26/351190526.db2.gz XPIFGYXFQYIPPX-CMPLNLGQSA-N -1 1 281.783 3.378 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H](CCF)C1 ZINC000633630139 351335616 /nfs/dbraw/zinc/33/56/16/351335616.db2.gz GSKNKCUMGPSTBA-NSHDSACASA-N -1 1 299.773 3.186 20 0 CGADMM CC[C@@H](C)N(CC)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633604164 351330267 /nfs/dbraw/zinc/33/02/67/351330267.db2.gz KGIXAMDEMBQJOR-SNVBAGLBSA-N -1 1 269.772 3.235 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(Br)cc3)c(=O)c21 ZINC000634588097 351526520 /nfs/dbraw/zinc/52/65/20/351526520.db2.gz JERQFELAIVRLSN-QPUJVOFHSA-N -1 1 293.164 3.198 20 0 CGADMM Cc1[n-]n(-c2cccc(Cl)c2C)c(=O)c1C1CC1 ZINC000634592525 351528906 /nfs/dbraw/zinc/52/89/06/351528906.db2.gz MWMQCIVAZJZTHZ-ZDUSSCGKSA-N -1 1 262.740 3.397 20 0 CGADMM Cc1[n-]n(-c2ccc(F)c(Cl)c2)c(=O)c1C1CC1 ZINC000634596328 351532186 /nfs/dbraw/zinc/53/21/86/351532186.db2.gz CLAKQHAGLBHGOY-GFCCVEGCSA-N -1 1 266.703 3.228 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3ccccc3Cl)c(=O)c2C1 ZINC000634597207 351533219 /nfs/dbraw/zinc/53/32/19/351533219.db2.gz DSHDLJLUVCMEIW-PWSUYJOCSA-N -1 1 276.767 3.474 20 0 CGADMM O=c1c2c([n-]n1Cc1ccccc1F)CCCCC2 ZINC000634608009 351540170 /nfs/dbraw/zinc/54/01/70/351540170.db2.gz ODUABOQHAONTKV-GFCCVEGCSA-N -1 1 260.312 3.104 20 0 CGADMM CCc1c(C)[n-]n(-c2ccccc2OC(F)(F)F)c1=O ZINC000634614341 351544052 /nfs/dbraw/zinc/54/40/52/351544052.db2.gz AECKZHLMRULNML-VIFPVBQESA-N -1 1 286.253 3.334 20 0 CGADMM CCOc1cc(C(=O)N2C3CCC2CC3)cc(Cl)c1[O-] ZINC000634847733 351595455 /nfs/dbraw/zinc/59/54/55/351595455.db2.gz MMOUIUYYXHHZHA-UHFFFAOYSA-N -1 1 295.766 3.211 20 0 CGADMM COc1cc(C(=O)N2CC[C@H](C(C)C)C2)cc(Cl)c1[O-] ZINC000336501147 213375164 /nfs/dbraw/zinc/37/51/64/213375164.db2.gz NEFWMANPQVCJRW-JTQLQIEISA-N -1 1 297.782 3.172 20 0 CGADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccoc1 ZINC000336493115 213366540 /nfs/dbraw/zinc/36/65/40/213366540.db2.gz KJGVTUOWESVEHE-UHFFFAOYSA-N -1 1 293.678 3.012 20 0 CGADMM CS[C@H]1CCCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000154278779 188133503 /nfs/dbraw/zinc/13/35/03/188133503.db2.gz DVKFODNHKHGLSO-NSHDSACASA-N -1 1 299.823 3.403 20 0 CGADMM O=C(Nc1ccncc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000109891359 138362070 /nfs/dbraw/zinc/36/20/70/138362070.db2.gz ZKNFOOPOHAKDIO-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@H](C)c2ccccc2C)c([O-])c1 ZINC000426445059 236295396 /nfs/dbraw/zinc/29/53/96/236295396.db2.gz XSKSBWXBCGMAFG-CYBMUJFWSA-N -1 1 284.359 3.237 20 0 CGADMM O=C([O-])[C@H](NCc1cc(F)cc(F)c1)c1ccccc1F ZINC000426787231 236314480 /nfs/dbraw/zinc/31/44/80/236314480.db2.gz CFASBZHIJBWACH-CQSZACIVSA-N -1 1 295.260 3.019 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC2CCC1CC2 ZINC000311117682 138583304 /nfs/dbraw/zinc/58/33/04/138583304.db2.gz NXUFMIACGYLHIA-UHFFFAOYSA-N -1 1 265.740 3.060 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc([O-])cc2F)[C@H]1C ZINC000436593279 237139924 /nfs/dbraw/zinc/13/99/24/237139924.db2.gz AKQSJBIHFQKJDA-WOPDTQHZSA-N -1 1 279.355 3.333 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(C3CCC3)cn2)c([O-])c1 ZINC000436733437 237170671 /nfs/dbraw/zinc/17/06/71/237170671.db2.gz XCXBJRRKUWAAFU-UHFFFAOYSA-N -1 1 298.342 3.316 20 0 CGADMM O=C(NCCC1(F)CCC1)c1ccc(Cl)cc1[O-] ZINC000436737775 237171988 /nfs/dbraw/zinc/17/19/88/237171988.db2.gz RBLFSVSXGPHRFH-UHFFFAOYSA-N -1 1 271.719 3.058 20 0 CGADMM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1c([O-])cccc1F ZINC000436952806 237220968 /nfs/dbraw/zinc/22/09/68/237220968.db2.gz YZOWZIHWHQOPBG-HNNXBMFYSA-N -1 1 299.345 3.282 20 0 CGADMM Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000438813901 238207708 /nfs/dbraw/zinc/20/77/08/238207708.db2.gz ZVCSVSUJRHSPDU-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccoc1 ZINC000335830681 212587319 /nfs/dbraw/zinc/58/73/19/212587319.db2.gz CFFODHUQQIWIFM-UHFFFAOYSA-N -1 1 293.678 3.012 20 0 CGADMM C[C@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335514246 212200811 /nfs/dbraw/zinc/20/08/11/212200811.db2.gz MDIDWSGPKQEIRW-DTWKUNHWSA-N -1 1 269.291 3.435 20 0 CGADMM O=C(Nc1nccs1)c1ccc2ccccc2c1[O-] ZINC000016641321 368718314 /nfs/dbraw/zinc/71/83/14/368718314.db2.gz MZBYHLWVOVINRK-UHFFFAOYSA-N -1 1 270.313 3.254 20 0 CGADMM C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000019837063 368769651 /nfs/dbraw/zinc/76/96/51/368769651.db2.gz AUSVBMGWEYSUSF-VIFPVBQESA-N -1 1 253.729 3.060 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccncc2C)c(Cl)c1 ZINC000112496545 370428577 /nfs/dbraw/zinc/42/85/77/370428577.db2.gz KOCNMFGRUPSKED-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM Cc1ccccc1[C@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000111775770 370406187 /nfs/dbraw/zinc/40/61/87/370406187.db2.gz MHZKZUKGWDDCQU-MRXNPFEDSA-N -1 1 282.343 3.073 20 0 CGADMM CCCOc1cc(C)ccc1NC(=O)c1cncc([O-])c1 ZINC000111775399 370407223 /nfs/dbraw/zinc/40/72/23/370407223.db2.gz KZJBTZIEHUEBEY-UHFFFAOYSA-N -1 1 286.331 3.137 20 0 CGADMM CCOC(=O)[C@H](NCc1cccc([O-])c1Cl)[C@@H](C)CC ZINC000513137751 245065299 /nfs/dbraw/zinc/06/52/99/245065299.db2.gz AOAXQHKWOGSHGK-IINYFYTJSA-N -1 1 299.798 3.113 20 0 CGADMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC000131738609 371126204 /nfs/dbraw/zinc/12/62/04/371126204.db2.gz WQQGGSCGBTVJII-UONOGXRCSA-N -1 1 296.370 3.114 20 0 CGADMM Cc1cnc([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000134945709 371377805 /nfs/dbraw/zinc/37/78/05/371377805.db2.gz HSWQZZIUZLLCSD-QMMMGPOBSA-N -1 1 296.779 3.302 20 0 CGADMM CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1cncc([O-])c1 ZINC000422070498 371728295 /nfs/dbraw/zinc/72/82/95/371728295.db2.gz RALBZXQZCPUTQY-INIZCTEOSA-N -1 1 296.370 3.196 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1cc(Cl)ccn1 ZINC000339007250 284301283 /nfs/dbraw/zinc/30/12/83/284301283.db2.gz MJAPCNAGKGVNSW-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(Cl)cc1[O-] ZINC000161720845 372349167 /nfs/dbraw/zinc/34/91/67/372349167.db2.gz HDVZKGFCQKSQHH-DTORHVGOSA-N -1 1 253.729 3.059 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCC[C@H]1CCc1ccccc1 ZINC000171864782 372843256 /nfs/dbraw/zinc/84/32/56/372843256.db2.gz PWCGEPQFHZQRSW-INIZCTEOSA-N -1 1 296.370 3.025 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@H](C)[C@@H](C)O1 ZINC000438427857 372953533 /nfs/dbraw/zinc/95/35/33/372953533.db2.gz QEXDRQIMPQXRBM-JHJVBQTASA-N -1 1 299.370 3.183 20 0 CGADMM CC(C)[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000444522156 373196617 /nfs/dbraw/zinc/19/66/17/373196617.db2.gz VEGSMWRPWPQTLR-NSHDSACASA-N -1 1 265.328 3.040 20 0 CGADMM Cc1nc(-c2ccc(N[C@@H]3CC[C@H](C)C3)nc2)[n-]c(=O)c1C ZINC000302546784 373893814 /nfs/dbraw/zinc/89/38/14/373893814.db2.gz PGBHRXYCSXNBDH-IINYFYTJSA-N -1 1 298.390 3.462 20 0 CGADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000449801279 373931054 /nfs/dbraw/zinc/93/10/54/373931054.db2.gz GXXNKUJWYNOGIZ-TZMCWYRMSA-N -1 1 299.374 3.403 20 0 CGADMM CC(=O)c1[n-]c(=N[C@H](C)c2cc(C)oc2C)sc1C ZINC000450287536 374042142 /nfs/dbraw/zinc/04/21/42/374042142.db2.gz REWOSDJBBOWYKT-MRVPVSSYSA-N -1 1 278.377 3.459 20 0 CGADMM Cc1cc(C)cc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000075913906 541909578 /nfs/dbraw/zinc/90/95/78/541909578.db2.gz GLQNKDRBURUXDU-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CCOc1ccccc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000315149935 374327046 /nfs/dbraw/zinc/32/70/46/374327046.db2.gz YGFWVJRCFQILDZ-UHFFFAOYSA-N -1 1 299.370 3.416 20 0 CGADMM CC1(C)CN(C(=O)c2ccc3ccccc3c2[O-])CCCO1 ZINC000320545129 374351401 /nfs/dbraw/zinc/35/14/01/374351401.db2.gz TXQPMRMPCKNQDL-UHFFFAOYSA-N -1 1 299.370 3.187 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@@H]2CCC(C)C)c([O-])c1 ZINC000331185436 374512604 /nfs/dbraw/zinc/51/26/04/374512604.db2.gz IRTPZPFXUHGPKK-CYBMUJFWSA-N -1 1 276.380 3.136 20 0 CGADMM CC(C)[C@H]1CN(C(=O)c2cc(F)ccc2[O-])[C@H]1C(C)C ZINC000456350003 374523381 /nfs/dbraw/zinc/52/33/81/374523381.db2.gz SYKDPKJLUCEAJG-HIFRSBDPSA-N -1 1 279.355 3.284 20 0 CGADMM CC(C)CCO[C@@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456780423 374621621 /nfs/dbraw/zinc/62/16/21/374621621.db2.gz CGYFQXVXSLXCKR-VIFPVBQESA-N -1 1 287.306 3.060 20 0 CGADMM CCC[C@@H](C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456795942 374626968 /nfs/dbraw/zinc/62/69/68/374626968.db2.gz WNKIVPZOKOQNLO-MRVPVSSYSA-N -1 1 257.280 3.435 20 0 CGADMM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000185402523 374656251 /nfs/dbraw/zinc/65/62/51/374656251.db2.gz FCQKCDSPFVCVKA-VHSXEESVSA-N -1 1 253.729 3.276 20 0 CGADMM Oc1cccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)c1Cl ZINC000334452115 374762167 /nfs/dbraw/zinc/76/21/67/374762167.db2.gz XOWMYDPEFJGIFF-CYBMUJFWSA-N -1 1 291.782 3.079 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1c(F)cccc1Cl ZINC000334603889 374898934 /nfs/dbraw/zinc/89/89/34/374898934.db2.gz RDIMMZXCPMORSG-NXEZZACHSA-N -1 1 285.746 3.164 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccc(Cl)cc2)n1 ZINC000187596237 375052362 /nfs/dbraw/zinc/05/23/62/375052362.db2.gz NNQOOEBCONJNDZ-UHFFFAOYSA-N -1 1 282.752 3.142 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H](C)c2ccccc2)n1 ZINC000188081887 375153583 /nfs/dbraw/zinc/15/35/83/375153583.db2.gz XJIRKQHQOAOJKF-NSHDSACASA-N -1 1 274.389 3.228 20 0 CGADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C(C)(C)C ZINC000335519872 375326942 /nfs/dbraw/zinc/32/69/42/375326942.db2.gz BCIKTYLPZFQXBR-UHFFFAOYSA-N -1 1 275.270 3.282 20 0 CGADMM CC(C)c1nnc([N-]C(=O)c2sccc2F)s1 ZINC000335838109 375471369 /nfs/dbraw/zinc/47/13/69/375471369.db2.gz QPDZTFFZQAFQCZ-UHFFFAOYSA-N -1 1 271.342 3.114 20 0 CGADMM CCc1cc([N-]S(=O)(=O)c2cccc(C)c2)ccc1F ZINC000507634277 375717470 /nfs/dbraw/zinc/71/74/70/375717470.db2.gz FPBPKOSEJRTDTD-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000535070200 376020970 /nfs/dbraw/zinc/02/09/70/376020970.db2.gz AJCSYGGWDLGDGW-GFCCVEGCSA-N -1 1 293.388 3.290 20 0 CGADMM O=C(Nc1ccc(-c2nncs2)cc1)c1ccccc1[O-] ZINC000535841854 376068817 /nfs/dbraw/zinc/06/88/17/376068817.db2.gz QYKBLFUAXHRZQA-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM O=C(c1ccc([O-])cc1F)N(C1CC1)C1CCCC1 ZINC000537581701 376176620 /nfs/dbraw/zinc/17/66/20/376176620.db2.gz GFNCSQQXSYPWNH-UHFFFAOYSA-N -1 1 263.312 3.079 20 0 CGADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(Br)c([O-])c1 ZINC000231348286 376555390 /nfs/dbraw/zinc/55/53/90/376555390.db2.gz HZJOYSBWPIFEKU-DTWKUNHWSA-N -1 1 298.180 3.025 20 0 CGADMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2F)CC1 ZINC000338965761 376605409 /nfs/dbraw/zinc/60/54/09/376605409.db2.gz SACXBRDBUCZLBE-ZJUUUORDSA-N -1 1 291.413 3.134 20 0 CGADMM COc1ccc(C(=O)Nc2cscc2C)c([O-])c1 ZINC000156732454 542129932 /nfs/dbraw/zinc/12/99/32/542129932.db2.gz OIZHJCOJWLIYBF-UHFFFAOYSA-N -1 1 263.318 3.023 20 0 CGADMM CC(C)(CNC(=O)c1cncc([O-])c1)C1CCCCC1 ZINC000339941948 376874842 /nfs/dbraw/zinc/87/48/42/376874842.db2.gz NTIMTTGJCRTQJI-UHFFFAOYSA-N -1 1 276.380 3.124 20 0 CGADMM CSCCCCC(=O)Nc1ccc(F)cc1[O-] ZINC000340327989 377002282 /nfs/dbraw/zinc/00/22/82/377002282.db2.gz JWKRMBZBHDSGFE-UHFFFAOYSA-N -1 1 257.330 3.003 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cccc2cc[nH]c21 ZINC000340330427 377007239 /nfs/dbraw/zinc/00/72/39/377007239.db2.gz MLDDAVZACNOYLE-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM O=C(Cn1ccc2ccccc21)Nc1ccc(F)cc1[O-] ZINC000340330419 377007557 /nfs/dbraw/zinc/00/75/57/377007557.db2.gz ZNLKEVJDWDFEGW-UHFFFAOYSA-N -1 1 284.290 3.125 20 0 CGADMM CC(C)c1nc(C(=O)Nc2ccc(F)cc2[O-])cs1 ZINC000340332724 377010336 /nfs/dbraw/zinc/01/03/36/377010336.db2.gz ZKOIXLMVVKNUHV-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM CC1([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCCC1 ZINC000560041966 377116727 /nfs/dbraw/zinc/11/67/27/377116727.db2.gz LCQJDROSWHVKPN-UHFFFAOYSA-N -1 1 291.775 3.090 20 0 CGADMM Cc1cc(CN(C)Cc2occc2C(=O)[O-])ccc1F ZINC000563281536 377435152 /nfs/dbraw/zinc/43/51/52/377435152.db2.gz BLEUDWZRSSPRHZ-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM O=C(c1ccccc1[O-])N1CCN(C2CC2)c2ccccc21 ZINC000186806384 296262473 /nfs/dbraw/zinc/26/24/73/296262473.db2.gz NYCGEXLDQVJMAF-UHFFFAOYSA-N -1 1 294.354 3.021 20 0 CGADMM O=C([O-])C[C@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000167040248 542174955 /nfs/dbraw/zinc/17/49/55/542174955.db2.gz YVHCWQQITXAPKI-LLVKDONJSA-N -1 1 285.746 3.308 20 0 CGADMM Cc1ccoc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000314435615 249095360 /nfs/dbraw/zinc/09/53/60/249095360.db2.gz WXQIBKPFMFCXKB-UHFFFAOYSA-N -1 1 281.311 3.377 20 0 CGADMM C[C@@H]1C[C@@H](CSc2nc(C(F)F)cc(=O)[n-]2)CCO1 ZINC000514893808 249193405 /nfs/dbraw/zinc/19/34/05/249193405.db2.gz RSPNNZHZOSJXNG-SFYZADRCSA-N -1 1 290.335 3.027 20 0 CGADMM CC1(CN=c2nc(Cc3ccc(F)cc3F)[n-]s2)CC1 ZINC000575037309 377741389 /nfs/dbraw/zinc/74/13/89/377741389.db2.gz XTVUSGHRSNRQIJ-UHFFFAOYSA-N -1 1 295.358 3.041 20 0 CGADMM CCC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCC1 ZINC000343003578 377879954 /nfs/dbraw/zinc/87/99/54/377879954.db2.gz CMDDKICPSITXGI-UHFFFAOYSA-N -1 1 285.347 3.301 20 0 CGADMM CCCCc1nc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)cs1 ZINC000263381658 377930619 /nfs/dbraw/zinc/93/06/19/377930619.db2.gz XJJKLYKZUREXBF-NWDGAFQWSA-N -1 1 296.436 3.028 20 0 CGADMM Cc1nc2c(Cl)cccc2c(N(C)CC(=O)[O-])c1C ZINC000263392641 377930666 /nfs/dbraw/zinc/93/06/66/377930666.db2.gz GQHCHCIBFIDZEE-UHFFFAOYSA-N -1 1 278.739 3.026 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CN[C@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000263437479 377936669 /nfs/dbraw/zinc/93/66/69/377936669.db2.gz VCWMOULJGJBGLF-DAXOMENPSA-N -1 1 299.370 3.189 20 0 CGADMM Cc1nc(-c2ccc(N[C@@H]3CC[C@H]3C)nc2)[n-]c(=O)c1C ZINC000343808338 378099413 /nfs/dbraw/zinc/09/94/13/378099413.db2.gz NXOPPZMWSKUDIN-NOZJJQNGSA-N -1 1 284.363 3.071 20 0 CGADMM C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(F)cc1Cl)C1CCC1 ZINC000565256312 322070873 /nfs/dbraw/zinc/07/08/73/322070873.db2.gz YCGVWTJYAVFLCY-SECBINFHSA-N -1 1 285.746 3.307 20 0 CGADMM C[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271917861 378516126 /nfs/dbraw/zinc/51/61/26/378516126.db2.gz BKKBLJUPYGBDLJ-MRVPVSSYSA-N -1 1 273.254 3.036 20 0 CGADMM CC(C)c1nc(=NCC2(c3ccccc3)CCC2)o[n-]1 ZINC000346639996 378657837 /nfs/dbraw/zinc/65/78/37/378657837.db2.gz VBJGSHMNITUBQH-UHFFFAOYSA-N -1 1 271.364 3.149 20 0 CGADMM CCOc1ccc(F)c([N-]C(=O)c2coc(CC)n2)c1F ZINC000346750591 218005355 /nfs/dbraw/zinc/00/53/55/218005355.db2.gz GMAPEDXPMVVPMV-UHFFFAOYSA-N -1 1 296.273 3.166 20 0 CGADMM Cc1ccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])o1 ZINC000277373263 379142349 /nfs/dbraw/zinc/14/23/49/379142349.db2.gz QKSXCZYNHAMHBO-SWLSCSKDSA-N -1 1 273.332 3.140 20 0 CGADMM C[C@H]1CC(=O)CC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278118399 379295660 /nfs/dbraw/zinc/29/56/60/379295660.db2.gz JDLBKUVJSCMHJD-KWQFWETISA-N -1 1 290.294 3.054 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cccc4c[nH]nc43)n2)c(F)c1 ZINC000350810146 379587378 /nfs/dbraw/zinc/58/73/78/379587378.db2.gz DCHODJASSROYOC-UHFFFAOYSA-N -1 1 296.261 3.125 20 0 CGADMM CCCCOc1ccc(C(=O)Nc2conc2C)c([O-])c1 ZINC000640485257 379810029 /nfs/dbraw/zinc/81/00/29/379810029.db2.gz DPSORMLXCIUNJH-UHFFFAOYSA-N -1 1 290.319 3.120 20 0 CGADMM O=C(N[C@H]1CCCc2occc21)c1c(F)ccc([O-])c1F ZINC000280742055 379777046 /nfs/dbraw/zinc/77/70/46/379777046.db2.gz JSVPXBLVOCMJBL-JTQLQIEISA-N -1 1 293.269 3.071 20 0 CGADMM CCC(=O)CCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000352365079 379780420 /nfs/dbraw/zinc/78/04/20/379780420.db2.gz MWOJTCIAUHGOIA-UHFFFAOYSA-N -1 1 294.298 3.052 20 0 CGADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@@H]1CCCC[C@H]1C ZINC000408369032 380007568 /nfs/dbraw/zinc/00/75/68/380007568.db2.gz QOZLOGZKCGOVFL-CHWSQXEVSA-N -1 1 276.380 3.136 20 0 CGADMM O=C(NC12CC(c3ccccc3)(C1)C2)c1c([O-])cccc1F ZINC000641697569 380048025 /nfs/dbraw/zinc/04/80/25/380048025.db2.gz IDKFBSOAZBKYBT-UHFFFAOYSA-N -1 1 297.329 3.135 20 0 CGADMM CCc1nc(SCc2c(C)nsc2C)[n-]c(=O)c1C ZINC000571821313 322308643 /nfs/dbraw/zinc/30/86/43/322308643.db2.gz MMROEMDJHNJZMY-UHFFFAOYSA-N -1 1 295.433 3.419 20 0 CGADMM CC(C)C[C@@H](N)c1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000414628445 380345677 /nfs/dbraw/zinc/34/56/77/380345677.db2.gz SDQPJABVLISDQL-SNVBAGLBSA-N -1 1 281.743 3.142 20 0 CGADMM CC(C)(C)CC[C@H]([NH2+]Cc1cccc([O-])c1Cl)C(=O)[O-] ZINC000414660764 380356521 /nfs/dbraw/zinc/35/65/21/380356521.db2.gz PTDLZUGJSJYHOB-NSHDSACASA-N -1 1 299.798 3.415 20 0 CGADMM O=C([O-])[C@@H](NCc1cccc(Cl)c1)c1ccccc1F ZINC000354357748 380411667 /nfs/dbraw/zinc/41/16/67/380411667.db2.gz MPASEASYTGWGLQ-AWEZNQCLSA-N -1 1 293.725 3.395 20 0 CGADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000360229413 381490685 /nfs/dbraw/zinc/49/06/85/381490685.db2.gz CDYFEUBDYAFRMO-UHFFFAOYSA-N -1 1 267.375 3.166 20 0 CGADMM C[C@H](CC(=O)[O-])N(C)Cc1csc(-c2cccs2)n1 ZINC000573340229 322383172 /nfs/dbraw/zinc/38/31/72/322383172.db2.gz OHEYFBHBPWKVLD-SECBINFHSA-N -1 1 296.417 3.167 20 0 CGADMM COCC(C)(C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000413661529 533076657 /nfs/dbraw/zinc/07/66/57/533076657.db2.gz XZSCHSCPQQPBOE-UHFFFAOYSA-N -1 1 271.744 3.047 20 0 CGADMM COc1ccc(-c2nc([C@@H]3CCCS3)no2)c([O-])c1 ZINC000161647466 533194474 /nfs/dbraw/zinc/19/44/74/533194474.db2.gz HHIPNXQXJPHTMT-NSHDSACASA-N -1 1 278.333 3.019 20 0 CGADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccon1 ZINC000436972095 533280980 /nfs/dbraw/zinc/28/09/80/533280980.db2.gz MQBUAURLGWGMBP-SNVBAGLBSA-N -1 1 282.299 3.024 20 0 CGADMM C[C@@H](CC1CC1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000157266646 533503706 /nfs/dbraw/zinc/50/37/06/533503706.db2.gz BSWRAFFBGVRFGK-QMMMGPOBSA-N -1 1 298.180 3.073 20 0 CGADMM CC(C)CN(C(=O)c1cncc([O-])c1)c1ccccc1 ZINC000283265884 392304367 /nfs/dbraw/zinc/30/43/67/392304367.db2.gz CRBOMNHSOVLGFO-UHFFFAOYSA-N -1 1 270.332 3.090 20 0 CGADMM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ncccc1[O-] ZINC000153537962 392520929 /nfs/dbraw/zinc/52/09/29/392520929.db2.gz KLUYFNFCADXJGZ-LLVKDONJSA-N -1 1 296.326 3.367 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H](c1ccccc1)C(C)C ZINC000647816431 392808836 /nfs/dbraw/zinc/80/88/36/392808836.db2.gz IQOYAURXUIZFMH-ZDUSSCGKSA-N -1 1 287.363 3.192 20 0 CGADMM O=C(Nc1ccc2cc[nH]c2c1)c1cc(F)ccc1[O-] ZINC000194859593 392941598 /nfs/dbraw/zinc/94/15/98/392941598.db2.gz HRLCQZJWNKZXND-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(F)cc1[O-] ZINC000467993486 393116459 /nfs/dbraw/zinc/11/64/59/393116459.db2.gz INHOBRIAHCFVII-IAQYHMDHSA-N -1 1 295.354 3.455 20 0 CGADMM O=C([O-])c1cccc(CN2CCc3ccsc3C2)c1 ZINC000263445119 393150607 /nfs/dbraw/zinc/15/06/07/393150607.db2.gz FQKZSRCFZJOLTQ-UHFFFAOYSA-N -1 1 273.357 3.005 20 0 CGADMM O=C(NC[C@H]1CC12CC2)c1cc2ccccc2cc1[O-] ZINC000416064563 393239244 /nfs/dbraw/zinc/23/92/44/393239244.db2.gz QWRWUVLAXNRODF-CYBMUJFWSA-N -1 1 267.328 3.075 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])cc1F)[C@H]1CC1(C)C ZINC000416276236 393289449 /nfs/dbraw/zinc/28/94/49/393289449.db2.gz MFQHRYYBNSVDJZ-YPMHNXCESA-N -1 1 265.328 3.086 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CC12CCSCC2 ZINC000648940550 393295794 /nfs/dbraw/zinc/29/57/94/393295794.db2.gz JXLDVVVKRVBZTF-SECBINFHSA-N -1 1 281.352 3.003 20 0 CGADMM Cc1cc(NCCC(=O)[O-])c2cc(Cl)cc(C)c2n1 ZINC000416382262 393306404 /nfs/dbraw/zinc/30/64/04/393306404.db2.gz ALAWAULSPRMUTI-UHFFFAOYSA-N -1 1 278.739 3.392 20 0 CGADMM CC1(C)Cc2ccccc2N(C(=O)c2cncc([O-])c2)C1 ZINC000646751613 393314142 /nfs/dbraw/zinc/31/41/42/393314142.db2.gz QCHDGPIIHHJGPM-UHFFFAOYSA-N -1 1 282.343 3.016 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000646412744 393280518 /nfs/dbraw/zinc/28/05/18/393280518.db2.gz LZPSLHDWBOFQAQ-UHFFFAOYSA-N -1 1 291.694 3.076 20 0 CGADMM CC(=O)c1[n-]c(=N[C@H](C)c2ccsc2)sc1C ZINC000649357371 393404816 /nfs/dbraw/zinc/40/48/16/393404816.db2.gz BRVQHCOLHHKAHL-SSDOTTSWSA-N -1 1 266.391 3.311 20 0 CGADMM CCc1cccnc1[N-]S(=O)(=O)CCC1CCCCC1 ZINC000649592291 393505092 /nfs/dbraw/zinc/50/50/92/393505092.db2.gz GPNOMJSQIQJODC-UHFFFAOYSA-N -1 1 296.436 3.356 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(F)c(Cl)c2)[n-]1 ZINC000607716298 542774720 /nfs/dbraw/zinc/77/47/20/542774720.db2.gz MNWUPDYSCKELCO-UHFFFAOYSA-N -1 1 254.692 3.372 20 0 CGADMM Cc1cnc(C(=O)N(C)C2CCC(C(C)C)CC2)c([O-])c1 ZINC000432541399 393617850 /nfs/dbraw/zinc/61/78/50/393617850.db2.gz JEOLMWRZLRZUGY-UHFFFAOYSA-N -1 1 290.407 3.382 20 0 CGADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000443399161 393755661 /nfs/dbraw/zinc/75/56/61/393755661.db2.gz LHUIIQSCQGBFCM-UHFFFAOYSA-N -1 1 291.372 3.195 20 0 CGADMM [O-]c1ccc(-c2noc(Cc3ccc(F)cc3)n2)c(F)c1 ZINC000445452238 393795466 /nfs/dbraw/zinc/79/54/66/393795466.db2.gz BDVICQVQWIREOG-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM Cc1cnc(-c2nc(=O)c3c4c(sc3[n-]2)CCC4)s1 ZINC000668142602 542974515 /nfs/dbraw/zinc/97/45/15/542974515.db2.gz ZGGPHCBGDDJMJT-UHFFFAOYSA-N -1 1 289.385 3.318 20 0 CGADMM CCC(C)(C)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000668897776 543074920 /nfs/dbraw/zinc/07/49/20/543074920.db2.gz LHGXGMUNGGJXAF-UHFFFAOYSA-N -1 1 272.348 3.201 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC2(CCC2)C1 ZINC000670420590 543154361 /nfs/dbraw/zinc/15/43/61/543154361.db2.gz UENIUOCPWSOWDL-UHFFFAOYSA-N -1 1 299.292 3.427 20 0 CGADMM CC(C)c1[nH]ccc1C(=O)Nc1c([O-])cccc1F ZINC000671784950 543189809 /nfs/dbraw/zinc/18/98/09/543189809.db2.gz NPXVTDKVZVDLAC-UHFFFAOYSA-N -1 1 262.284 3.235 20 0 CGADMM O=c1c2c([n-]n1CCCc1ccccc1)CCCCC2 ZINC000109522689 397653644 /nfs/dbraw/zinc/65/36/44/397653644.db2.gz OADQHHKWUPAWOD-OAHLLOKOSA-N -1 1 270.376 3.398 20 0 CGADMM Cc1c(NCc2cccc([O-])c2Cl)n[nH]c1C(C)C ZINC000647241564 397714862 /nfs/dbraw/zinc/71/48/62/397714862.db2.gz RGDDYHAYWCCFOR-UHFFFAOYSA-N -1 1 279.771 3.235 20 0 CGADMM Cc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1O ZINC000675222144 543322941 /nfs/dbraw/zinc/32/29/41/543322941.db2.gz GHRRXOCABGOCPU-UHFFFAOYSA-N -1 1 270.263 3.156 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccccn2)c([O-])c1 ZINC000048385197 286904425 /nfs/dbraw/zinc/90/44/25/286904425.db2.gz HXGHXEBYVDNYLC-UHFFFAOYSA-N -1 1 256.305 3.163 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cccc(F)c2F)n1 ZINC000058370922 286952228 /nfs/dbraw/zinc/95/22/28/286952228.db2.gz CWECESOEQHVKQP-UHFFFAOYSA-N -1 1 296.342 3.293 20 0 CGADMM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084939462 287081545 /nfs/dbraw/zinc/08/15/45/287081545.db2.gz PBUAHPXAVCYGHB-ZDUSSCGKSA-N -1 1 293.388 3.290 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000094982998 287123735 /nfs/dbraw/zinc/12/37/35/287123735.db2.gz VOXRAOPNLDHMFF-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CC[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H](C)O1 ZINC000111644744 287135679 /nfs/dbraw/zinc/13/56/79/287135679.db2.gz UYFVOLUSURCNHM-OCCSQVGLSA-N -1 1 299.370 3.185 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1F ZINC000112333615 287140339 /nfs/dbraw/zinc/14/03/39/287140339.db2.gz ALNJJBHQKPVVGM-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1C ZINC000006865869 170251162 /nfs/dbraw/zinc/25/11/62/170251162.db2.gz FYKWDGCPQMYAGS-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2C)c(C)s1 ZINC000032531819 171732287 /nfs/dbraw/zinc/73/22/87/171732287.db2.gz GBBIFDPEIGEHHO-UHFFFAOYSA-N -1 1 281.402 3.474 20 0 CGADMM C[C@H](CNC(=O)c1c([O-])cccc1F)Cc1cccs1 ZINC000126305425 287261315 /nfs/dbraw/zinc/26/13/15/287261315.db2.gz SAUGABFALXLVFC-JTQLQIEISA-N -1 1 293.363 3.201 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000040725172 174387122 /nfs/dbraw/zinc/38/71/22/174387122.db2.gz WTHZXCUCYQQQAR-LLVKDONJSA-N -1 1 255.317 3.027 20 0 CGADMM C[C@H]1CN(Cc2cc(F)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311500553 416531356 /nfs/dbraw/zinc/53/13/56/416531356.db2.gz YEYATQSPQHZPLJ-CABZTGNLSA-N -1 1 285.746 3.022 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1cc(Cl)ccc1F)CC2 ZINC000405366478 416559030 /nfs/dbraw/zinc/55/90/30/416559030.db2.gz KEQNORHFYGLMQM-LBPRGKRZSA-N -1 1 297.757 3.166 20 0 CGADMM CCOc1ncccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129574071 287335037 /nfs/dbraw/zinc/33/50/37/287335037.db2.gz BOKMCWWACSERLA-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)c1 ZINC000680809309 543736002 /nfs/dbraw/zinc/73/60/02/543736002.db2.gz BLCBNXCELZAVBU-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM CC(C)CC[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681014197 543756424 /nfs/dbraw/zinc/75/64/24/543756424.db2.gz HIELGIFGLCNMHD-JTQLQIEISA-N -1 1 253.317 3.086 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)c2ccccc21 ZINC000681019503 543758043 /nfs/dbraw/zinc/75/80/43/543758043.db2.gz IMSKANOJBGCRGT-SNVBAGLBSA-N -1 1 271.291 3.295 20 0 CGADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000681022870 543758479 /nfs/dbraw/zinc/75/84/79/543758479.db2.gz UHJPDCGUNSATIU-PWSUYJOCSA-N -1 1 265.328 3.087 20 0 CGADMM CC(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681042681 543759306 /nfs/dbraw/zinc/75/93/06/543759306.db2.gz RTPQVHMHSLUCDC-TZMCWYRMSA-N -1 1 279.355 3.476 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCc2ccc(Cl)cc21 ZINC000681036873 543759838 /nfs/dbraw/zinc/75/98/38/543759838.db2.gz DQJUHTDEGOVSRG-UHFFFAOYSA-N -1 1 291.709 3.388 20 0 CGADMM CSC[C@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000131209354 287373342 /nfs/dbraw/zinc/37/33/42/287373342.db2.gz VZZSKASOTCLJEZ-JTQLQIEISA-N -1 1 275.373 3.027 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2ccncc2)n1 ZINC000683453856 543915487 /nfs/dbraw/zinc/91/54/87/543915487.db2.gz OEMNEMQICZFKFO-JTQLQIEISA-N -1 1 275.377 3.383 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cccs3)no2)c(F)c1 ZINC000131881189 287392068 /nfs/dbraw/zinc/39/20/68/287392068.db2.gz VMCQBRANZDJUNL-UHFFFAOYSA-N -1 1 262.265 3.310 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@H](C)[C@H](C)O1 ZINC000438427858 296923100 /nfs/dbraw/zinc/92/31/00/296923100.db2.gz QEXDRQIMPQXRBM-UPJWGTAASA-N -1 1 299.370 3.183 20 0 CGADMM CC(C)CC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000132020228 287395108 /nfs/dbraw/zinc/39/51/08/287395108.db2.gz BJTORPAJSWGQLQ-CYBMUJFWSA-N -1 1 276.380 3.218 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N(CC1CC1)CC1CCC1 ZINC000684530064 544011778 /nfs/dbraw/zinc/01/17/78/544011778.db2.gz MOOPFZRFFKESTH-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM O=C(NC1CCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869509 544034921 /nfs/dbraw/zinc/03/49/21/544034921.db2.gz UENHUHNNEXLVDO-UHFFFAOYSA-N -1 1 273.254 3.083 20 0 CGADMM CN(C[C@@H]1CCCCO1)C(=O)c1cc2ccccc2cc1[O-] ZINC000134011202 287433841 /nfs/dbraw/zinc/43/38/41/287433841.db2.gz DEUMRNMLDXTBDP-HNNXBMFYSA-N -1 1 299.370 3.187 20 0 CGADMM CCOC1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000652394314 418961363 /nfs/dbraw/zinc/96/13/63/418961363.db2.gz YQHNFVWJSAHFHM-UHFFFAOYSA-N -1 1 297.782 3.039 20 0 CGADMM CC(C)c1ccc([C@H](C)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1 ZINC000652509911 418977233 /nfs/dbraw/zinc/97/72/33/418977233.db2.gz NSXXTYLQARMYFL-DVOMOZLQSA-N -1 1 291.391 3.045 20 0 CGADMM CCN(Cc1occc1C)C(=O)c1ccc([O-])c(F)c1 ZINC000665664705 419145915 /nfs/dbraw/zinc/14/59/15/419145915.db2.gz HTCCNDMLFLEBPZ-UHFFFAOYSA-N -1 1 277.295 3.095 20 0 CGADMM CCC[C@@H](NCc1cc2cccc(CC)c2o1)C(=O)[O-] ZINC000656564345 419183629 /nfs/dbraw/zinc/18/36/29/419183629.db2.gz KCJOPCBZSTYMTD-CQSZACIVSA-N -1 1 275.348 3.338 20 0 CGADMM CCC[C@@H](C)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000666352172 419210235 /nfs/dbraw/zinc/21/02/35/419210235.db2.gz PVLKDYMGFXASSD-LLVKDONJSA-N -1 1 272.348 3.201 20 0 CGADMM Cc1ccc2c(c1)CN([C@H](C)c1ccc(C(=O)[O-])o1)CC2 ZINC000656758621 419211219 /nfs/dbraw/zinc/21/12/19/419211219.db2.gz JGMXROWJZAKRNB-GFCCVEGCSA-N -1 1 285.343 3.406 20 0 CGADMM CCc1nc(SCCC2(OC)CCC2)[n-]c(=O)c1C ZINC000657264250 419239995 /nfs/dbraw/zinc/23/99/95/419239995.db2.gz MALNSXSTGSEPKX-UHFFFAOYSA-N -1 1 282.409 3.104 20 0 CGADMM CCc1nc(S[C@H](C)c2cnc(C)cn2)[n-]c(=O)c1C ZINC000657264202 419240017 /nfs/dbraw/zinc/24/00/17/419240017.db2.gz JRPKFOYOFYHTME-SNVBAGLBSA-N -1 1 290.392 3.005 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](c2ccccc2)C1 ZINC000080022353 260177342 /nfs/dbraw/zinc/17/73/42/260177342.db2.gz DOUDROQULBRFQO-CYBMUJFWSA-N -1 1 285.318 3.161 20 0 CGADMM O=C(NC[C@H]1CC=CCC1)c1cc(Cl)ccc1[O-] ZINC000044569336 270037270 /nfs/dbraw/zinc/03/72/70/270037270.db2.gz AXORAUTZXUJECI-JTQLQIEISA-N -1 1 265.740 3.132 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2c([O-])cccc2F)[C@@H]1C ZINC000228835856 270087746 /nfs/dbraw/zinc/08/77/46/270087746.db2.gz ZVWOALXUFFJZDJ-FOGDFJRCSA-N -1 1 265.328 3.086 20 0 CGADMM CC[C@H](C)C[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000228855454 270088132 /nfs/dbraw/zinc/08/81/32/270088132.db2.gz SXVSHGZDYRVVRY-VHSXEESVSA-N -1 1 253.317 3.086 20 0 CGADMM CCc1nc(SC[C@@H](CC(C)C)OC)[n-]c(=O)c1C ZINC000519786596 270097941 /nfs/dbraw/zinc/09/79/41/270097941.db2.gz YPNGRELHINFQBZ-LLVKDONJSA-N -1 1 284.425 3.206 20 0 CGADMM CCCC1(CNC(=O)c2c([O-])cccc2F)CCC1 ZINC000392101571 266022791 /nfs/dbraw/zinc/02/27/91/266022791.db2.gz QUBHNCWUXVRRHD-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM CCC[C@@H](OCC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000528874189 270175025 /nfs/dbraw/zinc/17/50/25/270175025.db2.gz FXHDWISJRYYRRM-GFCCVEGCSA-N -1 1 271.744 3.189 20 0 CGADMM CC(C)[C@H](CNC(=O)c1cncc([O-])c1)Cc1ccccc1 ZINC000530356288 270199280 /nfs/dbraw/zinc/19/92/80/270199280.db2.gz OSLGLOZZSTWIOE-HNNXBMFYSA-N -1 1 298.386 3.032 20 0 CGADMM Cc1ccc(O)c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000235997288 287650870 /nfs/dbraw/zinc/65/08/70/287650870.db2.gz PLNGXBJSGQNRNK-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM CCC[C@@]1(NC(=O)c2ccc3ccccc3c2[O-])CCOC1 ZINC000393500532 287999186 /nfs/dbraw/zinc/99/91/86/287999186.db2.gz ZITMYOFNPFYYKB-GOSISDBHSA-N -1 1 299.370 3.234 20 0 CGADMM C[C@@H]1[C@@H](C)CN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000293959341 278077971 /nfs/dbraw/zinc/07/79/71/278077971.db2.gz GAXFFXSANUNEJI-DTWKUNHWSA-N -1 1 290.750 3.074 20 0 CGADMM C[C@H](N=c1ccc(N2CCC[C@H]2C)n[n-]1)c1ccccc1 ZINC000425230331 278232911 /nfs/dbraw/zinc/23/29/11/278232911.db2.gz LSQLUOLZNUZDRW-KGLIPLIRSA-N -1 1 282.391 3.060 20 0 CGADMM C[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3cc2[O-])CS1 ZINC000397971639 288036770 /nfs/dbraw/zinc/03/67/70/288036770.db2.gz MUTCKUZAGFZDLI-ZWNOBZJWSA-N -1 1 287.384 3.169 20 0 CGADMM CC1(C)CN(C(=O)c2cncc([O-])c2)C[C@H]1c1ccccc1 ZINC000339960990 278326447 /nfs/dbraw/zinc/32/64/47/278326447.db2.gz ROUMYVSPBRRKBZ-INIZCTEOSA-N -1 1 296.370 3.053 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CC2CCC1CC2 ZINC000530006477 288282023 /nfs/dbraw/zinc/28/20/23/288282023.db2.gz SWLYPBVARYEFPP-ILDUYXDCSA-N -1 1 263.312 3.296 20 0 CGADMM CC1(C)CCC[C@@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000227410736 281012116 /nfs/dbraw/zinc/01/21/16/281012116.db2.gz JCAPTSZVJPBQAG-SNVBAGLBSA-N -1 1 265.328 3.230 20 0 CGADMM CC(C)c1nc(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cs1 ZINC000530174050 288293186 /nfs/dbraw/zinc/29/31/86/288293186.db2.gz ICMDOMIWPBFQGX-QWRGUYRKSA-N -1 1 296.436 3.340 20 0 CGADMM CCc1cccc(OCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532012308 288349879 /nfs/dbraw/zinc/34/98/79/288349879.db2.gz GNXIWDUNIKDBSX-UHFFFAOYSA-N -1 1 289.306 3.111 20 0 CGADMM Cc1csc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)n1 ZINC000352311908 281708330 /nfs/dbraw/zinc/70/83/30/281708330.db2.gz AJKRRPIGYWBVAX-UHFFFAOYSA-N -1 1 279.271 3.046 20 0 CGADMM Cc1nc(SCCOc2ccccc2F)[n-]c(=O)c1C ZINC000537415700 288529004 /nfs/dbraw/zinc/52/90/04/288529004.db2.gz FELAKBLSOMJXFJ-UHFFFAOYSA-N -1 1 294.351 3.109 20 0 CGADMM CC(=O)c1[n-]c(=N[C@@H]2CCc3ccc(F)cc32)sc1C ZINC000562531301 289712393 /nfs/dbraw/zinc/71/23/93/289712393.db2.gz QGYZPYDZKKDLRT-CYBMUJFWSA-N -1 1 290.363 3.315 20 0 CGADMM C[C@@H](C(=O)[O-])[N@@H+](Cc1c(F)cccc1Cl)C1CCC1 ZINC000565254593 322070884 /nfs/dbraw/zinc/07/08/84/322070884.db2.gz OBSCXYJDKONHNM-VIFPVBQESA-N -1 1 285.746 3.307 20 0 CGADMM C[C@@H](C(=O)[O-])N(Cc1c(F)cccc1Cl)C1CCC1 ZINC000565254593 322070885 /nfs/dbraw/zinc/07/08/85/322070885.db2.gz OBSCXYJDKONHNM-VIFPVBQESA-N -1 1 285.746 3.307 20 0 CGADMM O=C([O-])c1cccc(-c2nc(CN3CCCC3)cs2)c1 ZINC000566357833 322117737 /nfs/dbraw/zinc/11/77/37/322117737.db2.gz NQOOTAWMLDENKQ-UHFFFAOYSA-N -1 1 288.372 3.104 20 0 CGADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H]1c1ccco1 ZINC000566360332 322118379 /nfs/dbraw/zinc/11/83/79/322118379.db2.gz VVDWWMQXJXBLLH-GHMZBOCLSA-N -1 1 275.304 3.469 20 0 CGADMM Cc1nc(C)c([C@H](C)N(C)Cc2ccoc2C(=O)[O-])s1 ZINC000567359116 322160788 /nfs/dbraw/zinc/16/07/88/322160788.db2.gz KKWRZFZFRTWEJD-VIFPVBQESA-N -1 1 294.376 3.244 20 0 CGADMM O=C([O-])c1cc(CN2CCc3ccsc3C2)cs1 ZINC000568062475 322190984 /nfs/dbraw/zinc/19/09/84/322190984.db2.gz CYHIYYJNMLOSAL-UHFFFAOYSA-N -1 1 279.386 3.066 20 0 CGADMM CCc1nc(SCc2nc(C)c(C)s2)[n-]c(=O)c1C ZINC000569120188 322235415 /nfs/dbraw/zinc/23/54/15/322235415.db2.gz CMAIRCDKBBJHLQ-UHFFFAOYSA-N -1 1 295.433 3.419 20 0 CGADMM O=C([O-])c1cnoc1CN1CCCCC[C@@H]1c1ccco1 ZINC000569228865 322240076 /nfs/dbraw/zinc/24/00/76/322240076.db2.gz FFBLDTSUJQUZKQ-GFCCVEGCSA-N -1 1 290.319 3.083 20 0 CGADMM Cc1cc([C@@H](C)N2CCc3ccsc3C2)oc1C(=O)[O-] ZINC000573452286 322388728 /nfs/dbraw/zinc/38/87/28/322388728.db2.gz JLNLCGVLVDOTLB-SNVBAGLBSA-N -1 1 291.372 3.467 20 0 CGADMM O=C(NCC1CCCCCC1)c1ccc([O-])cc1F ZINC000389520136 328901580 /nfs/dbraw/zinc/90/15/80/328901580.db2.gz GFBKDCQPZBYKAS-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCc2ccccc2C1 ZINC000011860784 329301432 /nfs/dbraw/zinc/30/14/32/329301432.db2.gz WATHMZVUOSMLGF-LLVKDONJSA-N -1 1 271.316 3.097 20 0 CGADMM O=C(Nc1cccc(CC(F)(F)F)c1)c1cncc([O-])c1 ZINC000174680521 335163438 /nfs/dbraw/zinc/16/34/38/335163438.db2.gz YOGLUIDBSPNUGZ-UHFFFAOYSA-N -1 1 296.248 3.144 20 0 CGADMM F[C@@H]1CCC[C@@H](N=c2[n-]c(C(F)(F)F)cs2)C1 ZINC000576699333 335235835 /nfs/dbraw/zinc/23/58/35/335235835.db2.gz LZWXRTTVJMCQEA-RNFRBKRXSA-N -1 1 268.279 3.276 20 0 CGADMM Cc1cc(=O)[n-]c([C@@H](C)[N@@H+]2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000192592572 335280561 /nfs/dbraw/zinc/28/05/61/335280561.db2.gz ADXCVBUIVHHJRN-PBHICJAKSA-N -1 1 287.407 3.374 20 0 CGADMM CO[C@H]1CCC[C@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000350568409 335515013 /nfs/dbraw/zinc/51/50/13/335515013.db2.gz XJNZYFXBMWHYFI-ONGXEEELSA-N -1 1 292.310 3.254 20 0 CGADMM CN(CCC1CCCCC1)Cc1nc(C(=O)[O-])cs1 ZINC000581493926 336089565 /nfs/dbraw/zinc/08/95/65/336089565.db2.gz OUKJQKDYVGHCST-UHFFFAOYSA-N -1 1 282.409 3.244 20 0 CGADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1cncc(F)c1 ZINC000436711968 533751613 /nfs/dbraw/zinc/75/16/13/533751613.db2.gz CYHZRNAHBHIXNJ-QMMMGPOBSA-N -1 1 294.713 3.071 20 0 CGADMM O=C(Nc1cccc(CO)c1)c1cc2ccccc2cc1[O-] ZINC000192705390 534341438 /nfs/dbraw/zinc/34/14/38/534341438.db2.gz IMZUXKYRCPXGEX-UHFFFAOYSA-N -1 1 293.322 3.290 20 0 CGADMM O=C(NC[C@H]1CCCC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000436502131 534636510 /nfs/dbraw/zinc/63/65/10/534636510.db2.gz GICBDATWPBVXCB-VIFPVBQESA-N -1 1 287.281 3.087 20 0 CGADMM O=C(N[C@H](C1CC1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000436843143 534783734 /nfs/dbraw/zinc/78/37/34/534783734.db2.gz GSRGUQFEOZXNCB-SNVBAGLBSA-N -1 1 293.672 3.116 20 0 CGADMM Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000183708978 526507680 /nfs/dbraw/zinc/50/76/80/526507680.db2.gz AKQSINPTTUEMOC-SSDOTTSWSA-N -1 1 293.754 3.128 20 0 CGADMM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2cncc([O-])c2)C1 ZINC000425118625 527754247 /nfs/dbraw/zinc/75/42/47/527754247.db2.gz LXQQAXUIJNIRQV-MRXNPFEDSA-N -1 1 296.370 3.401 20 0 CGADMM CCCC[C@@H](CCC)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436937639 528789208 /nfs/dbraw/zinc/78/92/08/528789208.db2.gz QQRDGUXHAQWMAY-CYBMUJFWSA-N -1 1 277.364 3.050 20 0 CGADMM CCC[C@@H](N=c1nc([C@H](C)OC)[n-]s1)C1CCCC1 ZINC000413463339 528966548 /nfs/dbraw/zinc/96/65/48/528966548.db2.gz XNWUXNAZOAPEGP-CMPLNLGQSA-N -1 1 283.441 3.438 20 0 CGADMM CCS[C@H](C)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000436947219 529222883 /nfs/dbraw/zinc/22/28/83/529222883.db2.gz UIQYAQLYTOWUQR-SSDOTTSWSA-N -1 1 268.313 3.395 20 0 CGADMM CCCN(C(=O)c1ncccc1[O-])[C@@H]1CCc2ccccc21 ZINC000494831403 535245068 /nfs/dbraw/zinc/24/50/68/535245068.db2.gz HRKRFMAFSSZJCU-OAHLLOKOSA-N -1 1 296.370 3.327 20 0 CGADMM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000462253455 535481447 /nfs/dbraw/zinc/48/14/47/535481447.db2.gz FFVQKYQEWUTCCI-PSASIEDQSA-N -1 1 253.729 3.420 20 0 CGADMM CC(C)C[C@@H](C)OC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000729081583 571868896 /nfs/dbraw/zinc/86/88/96/571868896.db2.gz JTFBXYBFRSJLDN-SNVBAGLBSA-N -1 1 262.309 3.261 20 0 CGADMM Cc1cccc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)c1C ZINC000737389479 572339454 /nfs/dbraw/zinc/33/94/54/572339454.db2.gz OZZKIJZIPUBKIM-GFCCVEGCSA-N -1 1 294.362 3.052 20 0 CGADMM Cc1cccc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)c1C ZINC000737389479 572339457 /nfs/dbraw/zinc/33/94/57/572339457.db2.gz OZZKIJZIPUBKIM-GFCCVEGCSA-N -1 1 294.362 3.052 20 0 CGADMM CN(Cc1ccc(F)cc1F)[C@H](C(=O)[O-])c1ccccc1 ZINC000737477475 572347313 /nfs/dbraw/zinc/34/73/13/572347313.db2.gz UDYQLGPMHJPLKO-HNNXBMFYSA-N -1 1 291.297 3.223 20 0 CGADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NC1CCCCC1 ZINC000738436923 572375237 /nfs/dbraw/zinc/37/52/37/572375237.db2.gz LKKOIVFNRTXMHN-UHFFFAOYSA-N -1 1 294.362 3.160 20 0 CGADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NC1CCCCC1 ZINC000738436923 572375240 /nfs/dbraw/zinc/37/52/40/572375240.db2.gz LKKOIVFNRTXMHN-UHFFFAOYSA-N -1 1 294.362 3.160 20 0 CGADMM Cc1cccc2c1CCN([C@@H](C)c1ccc(C(=O)[O-])o1)C2 ZINC000738747882 572391071 /nfs/dbraw/zinc/39/10/71/572391071.db2.gz LIUFJQKSBSLFDC-LBPRGKRZSA-N -1 1 285.343 3.406 20 0 CGADMM CN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000739665053 572422029 /nfs/dbraw/zinc/42/20/29/572422029.db2.gz IXVNYRQADAKRFL-UHFFFAOYSA-N -1 1 296.798 3.162 20 0 CGADMM CCCn1cc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000743720132 572681125 /nfs/dbraw/zinc/68/11/25/572681125.db2.gz RAGCVXCXNWEECA-UHFFFAOYSA-N -1 1 295.342 3.404 20 0 CGADMM O=C(NCC(C1CC1)C1CC1)c1c([O-])cccc1Cl ZINC000743748955 572681929 /nfs/dbraw/zinc/68/19/29/572681929.db2.gz SGLINSVTWIDQBD-UHFFFAOYSA-N -1 1 279.767 3.212 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)C(C)(C)C)c1 ZINC000745045656 572790676 /nfs/dbraw/zinc/79/06/76/572790676.db2.gz DHNAWVAMHDBCHG-LLVKDONJSA-N -1 1 292.375 3.363 20 0 CGADMM C[C@H]1c2ccccc2OCCN1Cc1cccc(C(=O)[O-])c1 ZINC000736839569 572821048 /nfs/dbraw/zinc/82/10/48/572821048.db2.gz CSVLEUVRRZNOIC-ZDUSSCGKSA-N -1 1 297.354 3.340 20 0 CGADMM CCCOc1cccc(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000737034855 572841526 /nfs/dbraw/zinc/84/15/26/572841526.db2.gz SGPFBAXALVNIPC-UHFFFAOYSA-N -1 1 289.331 3.056 20 0 CGADMM CC(=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CC1 ZINC000749732975 573028353 /nfs/dbraw/zinc/02/83/53/573028353.db2.gz HKOOGTKAQCGDSX-NTMALXAHSA-N -1 1 283.331 3.077 20 0 CGADMM c1cc(NCCCCC2CCCC2)nc(-c2nnn[n-]2)c1 ZINC000823757092 599094615 /nfs/dbraw/zinc/09/46/15/599094615.db2.gz MKPVPXYPASUBPN-UHFFFAOYSA-N -1 1 286.383 3.034 20 0 CGADMM c1cc(NCCCCC2CCCC2)nc(-c2nn[n-]n2)c1 ZINC000823757092 599094618 /nfs/dbraw/zinc/09/46/18/599094618.db2.gz MKPVPXYPASUBPN-UHFFFAOYSA-N -1 1 286.383 3.034 20 0 CGADMM Cc1ccc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)s1 ZINC000226615111 619276990 /nfs/dbraw/zinc/27/69/90/619276990.db2.gz MBGZPBITSUVLLY-LURJTMIESA-N -1 1 269.263 3.134 20 0 CGADMM C[C@@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820698150 599527787 /nfs/dbraw/zinc/52/77/87/599527787.db2.gz QJJYFGOTOQVODO-ZYHUDNBSSA-N -1 1 294.362 3.015 20 0 CGADMM C[C@@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820698150 599527788 /nfs/dbraw/zinc/52/77/88/599527788.db2.gz QJJYFGOTOQVODO-ZYHUDNBSSA-N -1 1 294.362 3.015 20 0 CGADMM CN(Cc1cc(C(=O)[O-])co1)Cc1ccc(Cl)cc1 ZINC000051330529 599844766 /nfs/dbraw/zinc/84/47/66/599844766.db2.gz WDRMBFAHFAKPCA-UHFFFAOYSA-N -1 1 279.723 3.263 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405368223 600306900 /nfs/dbraw/zinc/30/69/00/600306900.db2.gz WRQILZKGEFNOAL-WDEREUQCSA-N -1 1 295.329 3.213 20 0 CGADMM C[C@@H]1CN(Cc2occc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000828463580 601045363 /nfs/dbraw/zinc/04/53/63/601045363.db2.gz RHZUNBFZGJNRCG-ABAIWWIYSA-N -1 1 271.316 3.171 20 0 CGADMM Cn1cccc1[C@H]1CCCCN1Cc1occc1C(=O)[O-] ZINC000833059293 601117413 /nfs/dbraw/zinc/11/74/13/601117413.db2.gz NCOWMCJOZULCMS-CQSZACIVSA-N -1 1 288.347 3.044 20 0 CGADMM CC[C@@H](c1ccc(Cl)cc1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000829020923 601444980 /nfs/dbraw/zinc/44/49/80/601444980.db2.gz NGEOWVBKIYRDPN-GXTWGEPZSA-N -1 1 285.746 3.290 20 0 CGADMM Cc1cccc(Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826299442 608168775 /nfs/dbraw/zinc/16/87/75/608168775.db2.gz FPFMXPQBWVJYCS-UHFFFAOYSA-N -1 1 292.755 3.029 20 0 CGADMM Cc1cccc(Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826299442 608168776 /nfs/dbraw/zinc/16/87/76/608168776.db2.gz FPFMXPQBWVJYCS-UHFFFAOYSA-N -1 1 292.755 3.029 20 0 CGADMM CC(C)Sc1ccc([C@@H](C)NC2CN(C(=O)[O-])C2)cc1 ZINC000833508470 605003615 /nfs/dbraw/zinc/00/36/15/605003615.db2.gz WHBRRZTUOSAHJA-LLVKDONJSA-N -1 1 294.420 3.200 20 0 CGADMM C[C@H](c1nc2ccccc2o1)N1CCC(CC(=O)[O-])CC1 ZINC000833552257 605323855 /nfs/dbraw/zinc/32/38/55/605323855.db2.gz ZYUZQSDOCXIQTR-LLVKDONJSA-N -1 1 288.347 3.076 20 0 CGADMM CC1(C)CCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000833560644 605840718 /nfs/dbraw/zinc/84/07/18/605840718.db2.gz RLGBCVXBJOPVGU-UHFFFAOYSA-N -1 1 253.729 3.023 20 0 CGADMM CC(C)(C)c1cccc(Oc2cccc(-c3nnn[n-]3)n2)c1 ZINC000824136013 607894482 /nfs/dbraw/zinc/89/44/82/607894482.db2.gz LZXHDKMOWMSQRU-UHFFFAOYSA-N -1 1 295.346 3.352 20 0 CGADMM CC(C)(C)c1cccc(Oc2cccc(-c3nn[n-]n3)n2)c1 ZINC000824136013 607894483 /nfs/dbraw/zinc/89/44/83/607894483.db2.gz LZXHDKMOWMSQRU-UHFFFAOYSA-N -1 1 295.346 3.352 20 0 CGADMM Clc1ccccc1Sc1cccc(-c2nnn[n-]2)n1 ZINC000826353839 607895132 /nfs/dbraw/zinc/89/51/32/607895132.db2.gz GCAMFZSUZDXJTG-UHFFFAOYSA-N -1 1 289.751 3.066 20 0 CGADMM Clc1ccccc1Sc1cccc(-c2nn[n-]n2)n1 ZINC000826353839 607895133 /nfs/dbraw/zinc/89/51/33/607895133.db2.gz GCAMFZSUZDXJTG-UHFFFAOYSA-N -1 1 289.751 3.066 20 0 CGADMM CCC[C@H](C)N(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900193470 620770081 /nfs/dbraw/zinc/77/00/81/620770081.db2.gz LIKXVYIVNSXIAN-JTQLQIEISA-N -1 1 290.338 3.340 20 0 CGADMM O=C(NOCCC(F)(F)F)c1cc2ccccc2cc1[O-] ZINC000154951049 618831882 /nfs/dbraw/zinc/83/18/82/618831882.db2.gz CCUKHORMSVBTGT-UHFFFAOYSA-N -1 1 299.248 3.159 20 0 CGADMM [O-]c1c(Br)cccc1CNc1ccc(F)cn1 ZINC000181572793 619027470 /nfs/dbraw/zinc/02/74/70/619027470.db2.gz UJOLTEWNOVSBIA-UHFFFAOYSA-N -1 1 297.127 3.301 20 0 CGADMM Cc1c(NC(=O)c2cc(F)ccc2[O-])cccc1N(C)C ZINC000182946399 619041328 /nfs/dbraw/zinc/04/13/28/619041328.db2.gz CEPBKTIVYFHBCB-UHFFFAOYSA-N -1 1 288.322 3.158 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1csc(Cl)c1 ZINC000194577812 619141286 /nfs/dbraw/zinc/14/12/86/619141286.db2.gz ZLDZYSGUWVVQDC-UHFFFAOYSA-N -1 1 289.143 3.408 20 0 CGADMM Cc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1Cl ZINC000235884726 619302739 /nfs/dbraw/zinc/30/27/39/619302739.db2.gz JYJLZTSJKWWKOR-LBPRGKRZSA-N -1 1 299.823 3.041 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCCCCCC1 ZINC000049082987 619681797 /nfs/dbraw/zinc/68/17/97/619681797.db2.gz NQFOSOXDHITQMJ-UHFFFAOYSA-N -1 1 267.756 3.452 20 0 CGADMM C[C@H](c1cccs1)N(CC(=O)[O-])Cc1ccccc1 ZINC000262176858 619771900 /nfs/dbraw/zinc/77/19/00/619771900.db2.gz DCEINIZKVVQWLI-GFCCVEGCSA-N -1 1 275.373 3.396 20 0 CGADMM Cc1cc(F)c(CN2CC[C@@](C)(C(=O)[O-])C2)c(Cl)c1 ZINC000263532536 620325287 /nfs/dbraw/zinc/32/52/87/620325287.db2.gz XJFDIBZDOOOVIM-CQSZACIVSA-N -1 1 285.746 3.084 20 0 CGADMM CN(C)c1ccc(C=C2SC(=S)[N-]C2=O)cc1F ZINC000067734987 620376526 /nfs/dbraw/zinc/37/65/26/620376526.db2.gz SYEOYDQPLZMJRO-POHAHGRESA-N -1 1 282.365 3.221 20 0 CGADMM CCN(CC(=O)[O-])Cc1ccc(-c2cccc(F)c2)s1 ZINC000901427063 620883853 /nfs/dbraw/zinc/88/38/53/620883853.db2.gz ZZUKYYUQJWNHPK-UHFFFAOYSA-N -1 1 293.363 3.461 20 0 CGADMM CCc1cccc2cc(CN3CCC[C@@H]3C(=O)[O-])oc21 ZINC000901455030 620893396 /nfs/dbraw/zinc/89/33/96/620893396.db2.gz YKNUJLKMKMOMIJ-CQSZACIVSA-N -1 1 273.332 3.044 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000901535483 620916984 /nfs/dbraw/zinc/91/69/84/620916984.db2.gz AZZYJGUOFVVVHU-URLYPYJESA-N -1 1 282.409 3.040 20 0 CGADMM CC(C)(O)CCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901619158 620948551 /nfs/dbraw/zinc/94/85/51/620948551.db2.gz LNSYJDMZSQCCLU-UHFFFAOYSA-N -1 1 290.388 3.102 20 0 CGADMM O=C([O-])[C@H](CC1CC1)N[C@@H](CCc1ccccc1)C(F)F ZINC000901786228 621019335 /nfs/dbraw/zinc/01/93/35/621019335.db2.gz JCJOFVQEOWEQRM-KBPBESRZSA-N -1 1 297.345 3.096 20 0 CGADMM CC(C)c1ncc(CN2CCCCC[C@@H]2C(=O)[O-])s1 ZINC000902034344 621124236 /nfs/dbraw/zinc/12/42/36/621124236.db2.gz KBISJKXATDBSBS-GFCCVEGCSA-N -1 1 282.409 3.096 20 0 CGADMM CC1(C)C[C@@H](NCc2cc(C(=O)[O-])co2)c2ccccc21 ZINC000902263514 621216441 /nfs/dbraw/zinc/21/64/41/621216441.db2.gz ORGRHAPYSYTIJY-OAHLLOKOSA-N -1 1 285.343 3.490 20 0 CGADMM CC(C)Cc1ccccc1CNCc1cc(C(=O)[O-])co1 ZINC000902354543 621286154 /nfs/dbraw/zinc/28/61/54/621286154.db2.gz KLBZSWPQIJNIOU-UHFFFAOYSA-N -1 1 287.359 3.466 20 0 CGADMM Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])no2)c1 ZINC000902509682 621349550 /nfs/dbraw/zinc/34/95/50/621349550.db2.gz HNVAMNIVYQDVGR-OAHLLOKOSA-N -1 1 286.331 3.018 20 0 CGADMM Cc1cccc([C@H]2CCCN2Cc2cc(C(=O)[O-])no2)c1 ZINC000902509682 621349551 /nfs/dbraw/zinc/34/95/51/621349551.db2.gz HNVAMNIVYQDVGR-OAHLLOKOSA-N -1 1 286.331 3.018 20 0 CGADMM O=C([O-])N[C@H]1C[C@H](Nc2ccc3cnccc3c2)C12CCC2 ZINC000904248240 621892032 /nfs/dbraw/zinc/89/20/32/621892032.db2.gz ZURBRSHFCNGILA-GJZGRUSLSA-N -1 1 297.358 3.226 20 0 CGADMM CSc1ccc([O-])c(-c2nc(-c3cccnc3)no2)c1 ZINC000904321259 621905654 /nfs/dbraw/zinc/90/56/54/621905654.db2.gz PLMWUUMQLAFGSL-UHFFFAOYSA-N -1 1 285.328 3.226 20 0 CGADMM COc1cnc(C=Cc2ccc(OCC3CC3)cc2)[n-]c1=O ZINC000905076178 622036687 /nfs/dbraw/zinc/03/66/87/622036687.db2.gz BTCNFJBLYZWHDX-RMKNXTFCSA-N -1 1 298.342 3.150 20 0 CGADMM CCOc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)c(C)c1 ZINC000905076413 622037595 /nfs/dbraw/zinc/03/75/95/622037595.db2.gz GLEUGBYLRALBNZ-SOFGYWHQSA-N -1 1 286.331 3.068 20 0 CGADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909985681 622440792 /nfs/dbraw/zinc/44/07/92/622440792.db2.gz OLDIMKHXOMAHRL-RKDXNWHRSA-N -1 1 269.291 3.435 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCCC(F)(F)C1 ZINC000909987009 622443385 /nfs/dbraw/zinc/44/33/85/622443385.db2.gz YOLSJLHDZYEIGF-SSDOTTSWSA-N -1 1 291.244 3.434 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cnn(C)c2Cl)c([O-])c1 ZINC000912619140 622683672 /nfs/dbraw/zinc/68/36/72/622683672.db2.gz ZBSYYPHUKJODHA-UHFFFAOYSA-N -1 1 293.754 3.155 20 0 CGADMM CC(C)Cc1cccc([C@H](C)C(=O)[N-]OCC(F)F)c1 ZINC000803107659 622787609 /nfs/dbraw/zinc/78/76/09/622787609.db2.gz WUIZRSLURGZNDP-NSHDSACASA-N -1 1 285.334 3.302 20 0 CGADMM CCOc1cc(C(=O)NC[C@@H]2C=CCC2)cc(Cl)c1[O-] ZINC000914278663 623700008 /nfs/dbraw/zinc/70/00/08/623700008.db2.gz VFNRLZLHKOFFIR-SNVBAGLBSA-N -1 1 295.766 3.140 20 0 CGADMM CCCC[C@@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825889 623830176 /nfs/dbraw/zinc/83/01/76/623830176.db2.gz NZRFCXQMSLGXKC-SNVBAGLBSA-N -1 1 269.772 3.488 20 0 CGADMM C[C@@H](C(=O)[N-]OCc1ccccc1)c1ccsc1 ZINC000155073709 624421764 /nfs/dbraw/zinc/42/17/64/624421764.db2.gz WYNQZUHVSUYKGJ-LLVKDONJSA-N -1 1 261.346 3.100 20 0 CGADMM C[C@@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CC1 ZINC000920447282 624495723 /nfs/dbraw/zinc/49/57/23/624495723.db2.gz DLNVNOLXYISCKJ-JTQLQIEISA-N -1 1 285.347 3.157 20 0 CGADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000866975835 625846399 /nfs/dbraw/zinc/84/63/99/625846399.db2.gz DHQBQJZSVIBUHH-PXIYARARSA-N -1 1 274.295 3.341 20 0 CGADMM CCOCCCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000866976262 625899505 /nfs/dbraw/zinc/89/95/05/625899505.db2.gz QJNGZUBQDHHUHR-UHFFFAOYSA-N -1 1 294.326 3.331 20 0 CGADMM CCc1onc(C)c1CNCc1cccc([O-])c1Cl ZINC000922984965 626113445 /nfs/dbraw/zinc/11/34/45/626113445.db2.gz SOUXKJKBCTYIBR-UHFFFAOYSA-N -1 1 280.755 3.194 20 0 CGADMM CC(C)c1ncc(CNCc2ccccc2C(=O)[O-])s1 ZINC000874043564 634508640 /nfs/dbraw/zinc/50/86/40/634508640.db2.gz PMSIYEWTUZFWTH-UHFFFAOYSA-N -1 1 290.388 3.255 20 0 CGADMM COC1CCC(CC(=O)Nc2ccc(F)cc2[O-])CC1 ZINC000759702227 626916242 /nfs/dbraw/zinc/91/62/42/626916242.db2.gz TUEHFQNQVYHQGW-UHFFFAOYSA-N -1 1 281.327 3.065 20 0 CGADMM CCCCC[C@H](C)CC(=O)[N-]OCC(F)(F)F ZINC000766767220 627359466 /nfs/dbraw/zinc/35/94/66/627359466.db2.gz FORBYLFBXAGSFK-VIFPVBQESA-N -1 1 255.280 3.203 20 0 CGADMM COc1cccc(C)c1NC(=O)c1ccc([O-])c(F)c1 ZINC000768675209 627492393 /nfs/dbraw/zinc/49/23/93/627492393.db2.gz YZXGSVPBGYOKCF-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])Cc2ccccc21 ZINC000769616921 627569674 /nfs/dbraw/zinc/56/96/74/627569674.db2.gz ZOVBBYWBOZGKCU-LLVKDONJSA-N -1 1 285.318 3.291 20 0 CGADMM Cc1cnc([C@H](C)O[N-]C(=O)CCC2CCCCC2)o1 ZINC000770692714 627638264 /nfs/dbraw/zinc/63/82/64/627638264.db2.gz OBEZKVWPXKYDFS-LBPRGKRZSA-N -1 1 280.368 3.452 20 0 CGADMM C[C@@H]1CCCC[C@H]1OCCOC(=O)c1ccc([O-])cc1F ZINC000773566949 627897453 /nfs/dbraw/zinc/89/74/53/627897453.db2.gz RARMEKKFXZASCW-IAQYHMDHSA-N -1 1 296.338 3.283 20 0 CGADMM O=C(OCc1ccc(Cl)cn1)c1c([O-])cc(F)cc1F ZINC000778110533 628325993 /nfs/dbraw/zinc/32/59/93/628325993.db2.gz MKDHHGBRPCFTMC-UHFFFAOYSA-N -1 1 299.660 3.076 20 0 CGADMM CCCc1ccc(C=C2SC(=O)[N-]C2=O)s1 ZINC000874929752 634655012 /nfs/dbraw/zinc/65/50/12/634655012.db2.gz ONWITNYGLHJFQD-TWGQIWQCSA-N -1 1 253.348 3.025 20 0 CGADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)C(C)C ZINC000783811621 628748802 /nfs/dbraw/zinc/74/88/02/628748802.db2.gz DOHWVPLRESKDIY-UHFFFAOYSA-N -1 1 293.411 3.026 20 0 CGADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790048441 629179767 /nfs/dbraw/zinc/17/97/67/629179767.db2.gz QXEPQQJXWTZFFS-AMIZOPFISA-N -1 1 268.744 3.061 20 0 CGADMM CC(C)(O)c1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000790066419 629181769 /nfs/dbraw/zinc/18/17/69/629181769.db2.gz RSPVGCPBLSXGGZ-UHFFFAOYSA-N -1 1 289.306 3.011 20 0 CGADMM C[C@@H](C(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000119175224 629448312 /nfs/dbraw/zinc/44/83/12/629448312.db2.gz XWPSYUQVBKGBGB-CYBMUJFWSA-N -1 1 255.317 3.038 20 0 CGADMM COC(=O)c1ccc(C(=O)Oc2ccc(C(C)C)cc2)[n-]1 ZINC000796734074 629822543 /nfs/dbraw/zinc/82/25/43/629822543.db2.gz VSYNDQPVVDWWNV-UHFFFAOYSA-N -1 1 287.315 3.144 20 0 CGADMM CCC[C@H](CC)S(=O)(=O)[N-]c1ccccc1C(C)=O ZINC000798247035 630041931 /nfs/dbraw/zinc/04/19/31/630041931.db2.gz NCZDPZXONGUEFD-LBPRGKRZSA-N -1 1 283.393 3.210 20 0 CGADMM Cc1nc(SCCSC(C)(C)C)[n-]c(=O)c1C ZINC000801658730 630350488 /nfs/dbraw/zinc/35/04/88/630350488.db2.gz HMVQWPPWQYYVOP-UHFFFAOYSA-N -1 1 272.439 3.423 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2CC(C)(C)C2)c1 ZINC000803754191 630495900 /nfs/dbraw/zinc/49/59/00/630495900.db2.gz TUJKPQJQRBHAGT-UHFFFAOYSA-N -1 1 290.359 3.117 20 0 CGADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000836914118 634826289 /nfs/dbraw/zinc/82/62/89/634826289.db2.gz CDBVCLZQCPXBEG-UWVGGRQHSA-N -1 1 267.756 3.068 20 0 CGADMM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000811697896 631111668 /nfs/dbraw/zinc/11/16/68/631111668.db2.gz HXDNAMFNIXRAIJ-UHFFFAOYSA-N -1 1 297.420 3.376 20 0 CGADMM Cc1noc(C2CC2)c1C(=O)Nc1ccc([O-])c(F)c1F ZINC000837086756 634852090 /nfs/dbraw/zinc/85/20/90/634852090.db2.gz SDHVWCVDACQJSH-UHFFFAOYSA-N -1 1 294.257 3.097 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc(N(C)C)cc2)n1 ZINC000814760285 631634809 /nfs/dbraw/zinc/63/48/09/631634809.db2.gz IDKIUJDHZYBCNM-UHFFFAOYSA-N -1 1 289.404 3.103 20 0 CGADMM CC[C@@H](C(=O)[N-]OC[C@@H](C)CC)c1ccc(OC)cc1 ZINC000816976964 632066130 /nfs/dbraw/zinc/06/61/30/632066130.db2.gz NLFCXVXUZNQCNT-SWLSCSKDSA-N -1 1 279.380 3.283 20 0 CGADMM CC[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H](CC)O1 ZINC000817637659 632198145 /nfs/dbraw/zinc/19/81/45/632198145.db2.gz DYIPULNPLVWSQZ-PHIMTYICSA-N -1 1 297.782 3.075 20 0 CGADMM CC(F)(F)C[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000818251899 632302656 /nfs/dbraw/zinc/30/26/56/632302656.db2.gz IGEKVHFMFKVCEP-UHFFFAOYSA-N -1 1 283.652 3.203 20 0 CGADMM CCC[C@@H](C(=O)[N-]OCC)c1ccc(Cl)cc1 ZINC000820523401 632641648 /nfs/dbraw/zinc/64/16/48/632641648.db2.gz KAXIELGELFBUDV-GFCCVEGCSA-N -1 1 255.745 3.291 20 0 CGADMM COc1cnc(C=Cc2cccc(OC(C)C)c2)[n-]c1=O ZINC000821008395 632711325 /nfs/dbraw/zinc/71/13/25/632711325.db2.gz PKPDKPKICYDDQR-BQYQJAHWSA-N -1 1 286.331 3.148 20 0 CGADMM O=C(C[C@@H]1CC=CCC1)Nc1cc([O-])c(F)cc1F ZINC000822543293 632967378 /nfs/dbraw/zinc/96/73/78/632967378.db2.gz SOYICZYAHRYMFL-SECBINFHSA-N -1 1 267.275 3.355 20 0 CGADMM O=C(CCc1ccc(C(F)F)cc1)[N-]OCC(F)(F)F ZINC000866733597 633237679 /nfs/dbraw/zinc/23/76/79/633237679.db2.gz WSCJCNGQYNBKSW-UHFFFAOYSA-N -1 1 297.223 3.167 20 0 CGADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)C(C)(F)F ZINC000825828509 633382788 /nfs/dbraw/zinc/38/27/88/633382788.db2.gz WHIKCMLFBLNPAP-UHFFFAOYSA-N -1 1 293.260 3.082 20 0 CGADMM C[C@H](OC(=O)Cc1ccc([O-])c(Cl)c1)C(=O)C(C)(C)C ZINC000869734126 633502082 /nfs/dbraw/zinc/50/20/82/633502082.db2.gz CEJZGIYYJCHSSZ-VIFPVBQESA-N -1 1 298.766 3.135 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3cc(Cl)ccc3F)c(=O)c21 ZINC000871963270 633930270 /nfs/dbraw/zinc/93/02/70/633930270.db2.gz MTZFZZAPRZAHNW-JVXZTZIISA-N -1 1 266.703 3.228 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000872979818 634226816 /nfs/dbraw/zinc/22/68/16/634226816.db2.gz MITKKRDOLHKWEY-ONGXEEELSA-N -1 1 282.771 3.033 20 0 CGADMM CC(C)=CCCNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872982438 634227314 /nfs/dbraw/zinc/22/73/14/634227314.db2.gz KIDZHEXHIOIQKZ-UHFFFAOYSA-N -1 1 282.771 3.201 20 0 CGADMM C[C@H]1CC=C(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000834821604 634247864 /nfs/dbraw/zinc/24/78/64/634247864.db2.gz DAVOWFVZFOWUGI-JTQLQIEISA-N -1 1 279.767 3.408 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CC=CCC1 ZINC000834833554 634251502 /nfs/dbraw/zinc/25/15/02/634251502.db2.gz CLBRBJBBEZWEOP-NSHDSACASA-N -1 1 265.740 3.018 20 0 CGADMM Cc1ccc2c(c1)C(=O)N[C@H](c1ccc([O-])c(Cl)c1)N2 ZINC000877862586 635243814 /nfs/dbraw/zinc/24/38/14/635243814.db2.gz ZRGDISWFMLLUOX-CQSZACIVSA-N -1 1 288.734 3.208 20 0 CGADMM O=C([N-]c1nc(C2CC2)no1)c1sccc1C(F)F ZINC000878866912 635646164 /nfs/dbraw/zinc/64/61/64/635646164.db2.gz GSYWWCCGCJZQSQ-UHFFFAOYSA-N -1 1 285.275 3.198 20 0 CGADMM CCCO[N-]C(=O)[C@H](C)c1cccc(Br)c1 ZINC000844087546 635818157 /nfs/dbraw/zinc/81/81/57/635818157.db2.gz AGVUZJBKULQDFX-SECBINFHSA-N -1 1 286.169 3.010 20 0 CGADMM C[C@@H](C(=O)[N-]OC1CCCC1)c1ccc(Cl)cc1 ZINC000845915245 636118404 /nfs/dbraw/zinc/11/84/04/636118404.db2.gz PRFQYJDTSFQXIC-SNVBAGLBSA-N -1 1 267.756 3.434 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)C(C)(C)C ZINC000846593892 636209425 /nfs/dbraw/zinc/20/94/25/636209425.db2.gz SYGMGVNYLYVICP-MRVPVSSYSA-N -1 1 255.745 3.210 20 0 CGADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)[C@@H]1CCCCO1 ZINC000848350110 636561117 /nfs/dbraw/zinc/56/11/17/636561117.db2.gz MNLKYFDMELTOPA-YPMHNXCESA-N -1 1 297.782 3.123 20 0 CGADMM CSC(C)(C)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000135398710 637128800 /nfs/dbraw/zinc/12/88/00/637128800.db2.gz LNTWBRLRRSTVNZ-UHFFFAOYSA-N -1 1 289.400 3.417 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885223061 637185742 /nfs/dbraw/zinc/18/57/42/637185742.db2.gz UYGYCQBIQWNMCC-MLGOLLRUSA-N -1 1 289.350 3.182 20 0 CGADMM CC[C@@H]1CC[C@H](C(=O)Nc2cc(F)c([O-])cc2Cl)O1 ZINC000885676486 637284383 /nfs/dbraw/zinc/28/43/83/637284383.db2.gz OTHWBGVKQYJAET-JMCQJSRRSA-N -1 1 287.718 3.081 20 0 CGADMM C[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C(C)(F)F ZINC000885677910 637284544 /nfs/dbraw/zinc/28/45/44/637284544.db2.gz CSMWLANDHUKOHJ-RXMQYKEDSA-N -1 1 281.661 3.415 20 0 CGADMM CC1(C)C[C@H](n2[n-]c3c(c2=O)CCC(C)(C)C3)C(C)(C)O1 ZINC000887297127 637792205 /nfs/dbraw/zinc/79/22/05/637792205.db2.gz UTJGUXMWJSAESE-AAEUAGOBSA-N -1 1 292.423 3.357 20 0 CGADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678974 638050128 /nfs/dbraw/zinc/05/01/28/638050128.db2.gz ZTDNTTCQOAIPBM-YUMQZZPRSA-N -1 1 271.719 3.415 20 0 CGADMM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1c([O-])cccc1Cl ZINC000855773545 638245603 /nfs/dbraw/zinc/24/56/03/638245603.db2.gz CFFBHALIIDYXKH-VWYCJHECSA-N -1 1 279.767 3.212 20 0 CGADMM C[C@@H]1CCC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)[C@@H]1C ZINC000858312277 638677462 /nfs/dbraw/zinc/67/74/62/638677462.db2.gz SKOATLVOWBVNQK-IWSPIJDZSA-N -1 1 255.749 3.072 20 0 CGADMM CC(C)CCC[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858363772 638693157 /nfs/dbraw/zinc/69/31/57/638693157.db2.gz ZKNLAWNSVAWSCF-VIFPVBQESA-N -1 1 257.765 3.462 20 0 CGADMM CCC(CC)[C@@H](CCNc1cc(Cl)[n-]c(=O)n1)OC ZINC000858454283 638723662 /nfs/dbraw/zinc/72/36/62/638723662.db2.gz ASHFBJPLSMVQMK-SNVBAGLBSA-N -1 1 287.791 3.089 20 0 CGADMM C[C@H]1CC(CNc2cc(Cl)[n-]c(=O)n2)C[C@H](C)C1 ZINC000858622896 639003751 /nfs/dbraw/zinc/00/37/51/639003751.db2.gz BYEGACZHTGYHOU-RKDXNWHRSA-N -1 1 269.776 3.320 20 0 CGADMM O=C([O-])[C@]1(F)CCN(Cc2ccc(C3CCCC3)cc2)C1 ZINC000859810491 639222973 /nfs/dbraw/zinc/22/29/73/639222973.db2.gz PIMUJOHFVGVVSA-KRWDZBQOSA-N -1 1 291.366 3.343 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000935098960 639747771 /nfs/dbraw/zinc/74/77/71/639747771.db2.gz GQJTUJLDBJEKSB-RTCCRHLQSA-N -1 1 263.312 3.296 20 0 CGADMM C[C@H](CN(C)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000042705324 639920787 /nfs/dbraw/zinc/92/07/87/639920787.db2.gz ZBSJMQAWCVMWIT-MRVPVSSYSA-N -1 1 276.163 3.146 20 0 CGADMM Cc1cc(Cl)ncc1NC(=O)c1ccccc1[O-] ZINC000155569283 639939376 /nfs/dbraw/zinc/93/93/76/639939376.db2.gz HHOCXDAUNSRUNV-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1cccc(F)c1 ZINC000188360420 640132504 /nfs/dbraw/zinc/13/25/04/640132504.db2.gz JHFYHCXGPFPYCM-MRVPVSSYSA-N -1 1 294.713 3.322 20 0 CGADMM O=C([O-])CCC1CCN(Cc2cc(Cl)cs2)CC1 ZINC000093097063 640755746 /nfs/dbraw/zinc/75/57/46/640755746.db2.gz ZFBMWYMWDOXPNV-UHFFFAOYSA-N -1 1 287.812 3.478 20 0 CGADMM [O-]c1ccc(-c2ncc(F)cn2)cc1C(F)(F)F ZINC001250477287 805641582 /nfs/dbraw/zinc/64/15/82/805641582.db2.gz OGGUKUGOADCHQS-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM Cc1cccc2c1nc(-c1c([O-])cccc1F)n2C ZINC001250674761 805755230 /nfs/dbraw/zinc/75/52/30/805755230.db2.gz UZWRFVXFVCDDQC-UHFFFAOYSA-N -1 1 256.280 3.393 20 0 CGADMM Cn1c2cc(F)ccc2nc1-c1cc(F)c(F)cc1[O-] ZINC001250967122 805810469 /nfs/dbraw/zinc/81/04/69/805810469.db2.gz JXNUIBLWJARYFM-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM CCOc1ccc2nc(-c3sccc3C(=O)[O-])[nH]c2c1 ZINC001251011060 805828133 /nfs/dbraw/zinc/82/81/33/805828133.db2.gz JHLMKYSOAFLXMW-UHFFFAOYSA-N -1 1 288.328 3.388 20 0 CGADMM Cn1c2ccc(F)cc2nc1-c1cc(Cl)ncc1[O-] ZINC001251251388 805872086 /nfs/dbraw/zinc/87/20/86/805872086.db2.gz BKSKIRIBEVOADY-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cn1 ZINC001251612034 805913017 /nfs/dbraw/zinc/91/30/17/805913017.db2.gz XBVZJRMNVUFHAC-UHFFFAOYSA-N -1 1 294.351 3.145 20 0 CGADMM COc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC001252184851 806029585 /nfs/dbraw/zinc/02/95/85/806029585.db2.gz ZDZZRLFPLLCAAV-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM CCC[C@@H](O)CNc1c(Cl)ccc([O-])c1Cl ZINC001252791634 806117375 /nfs/dbraw/zinc/11/73/75/806117375.db2.gz BQKSEAMCJXSEJC-SSDOTTSWSA-N -1 1 264.152 3.272 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc(F)cc(F)c1 ZINC001160916226 806321738 /nfs/dbraw/zinc/32/17/38/806321738.db2.gz GZORIRYZYJGQJU-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1csc(C2CC2)n1 ZINC001160916826 806322115 /nfs/dbraw/zinc/32/21/15/806322115.db2.gz NHMSJBICFONXAY-UHFFFAOYSA-N -1 1 296.298 3.257 20 0 CGADMM Cc1cc(C(=O)Nc2c[n-][nH]c2=O)sc1-c1ccccc1 ZINC001161391649 806373643 /nfs/dbraw/zinc/37/36/43/806373643.db2.gz NNDGVZAFDRBCIT-UHFFFAOYSA-N -1 1 299.355 3.405 20 0 CGADMM Cc1c(=O)[n-]n(-c2ccccc2)c1NC1CCSCC1 ZINC001255087481 806539517 /nfs/dbraw/zinc/53/95/17/806539517.db2.gz AEHPQKBXBODFJL-UHFFFAOYSA-N -1 1 289.404 3.194 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2ccc3ncccc3c2)no1 ZINC000387496049 799447004 /nfs/dbraw/zinc/44/70/04/799447004.db2.gz KYBLRKOLORHKNF-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM COc1cccc([O-])c1-c1nc(-c2ccc(C)cc2)no1 ZINC000405279225 799582633 /nfs/dbraw/zinc/58/26/33/799582633.db2.gz YOIDOCJKOWOFHW-UHFFFAOYSA-N -1 1 282.299 3.426 20 0 CGADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])C1(C)CC1 ZINC000706229000 799959258 /nfs/dbraw/zinc/95/92/58/799959258.db2.gz JDQPCTSRDVNPMC-NSHDSACASA-N -1 1 269.344 3.464 20 0 CGADMM CC1(C)CO[C@@H](CC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000717112168 800192851 /nfs/dbraw/zinc/19/28/51/800192851.db2.gz MYMVQZISBLCPQM-JTQLQIEISA-N -1 1 283.755 3.189 20 0 CGADMM Cc1ccc(-c2nnc(-c3ccncc3[O-])o2)cc1C ZINC001256583013 806921067 /nfs/dbraw/zinc/92/10/67/806921067.db2.gz PWSHAQQTNWLZSL-UHFFFAOYSA-N -1 1 267.288 3.121 20 0 CGADMM C/C=C(/CC)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001116888133 802425407 /nfs/dbraw/zinc/42/54/07/802425407.db2.gz UJJHIPOIGUTAQZ-BAQGIRSFSA-N -1 1 284.153 3.450 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H]2CCCC[C@H]2C1 ZINC001117612613 802471878 /nfs/dbraw/zinc/47/18/78/802471878.db2.gz BQIQWFJQHAJKQK-MNOVXSKESA-N -1 1 295.329 3.323 20 0 CGADMM CC1(C)CN(C(=O)c2ncc3ccccc3c2[O-])C1(C)C ZINC001118649600 802591875 /nfs/dbraw/zinc/59/18/75/802591875.db2.gz LNEDAVJMTNCGET-UHFFFAOYSA-N -1 1 284.359 3.201 20 0 CGADMM Cc1ccc(Nc2ccc(F)c(F)c2[O-])cc1O ZINC001211703543 814934762 /nfs/dbraw/zinc/93/47/62/814934762.db2.gz OCJUABOMKVUUGK-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM Cc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1O ZINC001211701624 814934817 /nfs/dbraw/zinc/93/48/17/814934817.db2.gz IEHCZWRSXVBYNX-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccnc(F)c3C)ccc2[n-]1 ZINC001243783001 803001820 /nfs/dbraw/zinc/00/18/20/803001820.db2.gz ZFRJNYYHJGZBAV-UHFFFAOYSA-N -1 1 299.305 3.249 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccnc(F)c3C)cc2[n-]1 ZINC001243783001 803001826 /nfs/dbraw/zinc/00/18/26/803001826.db2.gz ZFRJNYYHJGZBAV-UHFFFAOYSA-N -1 1 299.305 3.249 20 0 CGADMM COCOc1cc(-c2cc(F)c([O-])c(F)c2)ccc1F ZINC001244094819 803182118 /nfs/dbraw/zinc/18/21/18/803182118.db2.gz BILQBLFHTBACCJ-UHFFFAOYSA-N -1 1 284.233 3.459 20 0 CGADMM [O-]c1c(F)cc(-c2cccc3c2COCC3)cc1F ZINC001244095993 803184301 /nfs/dbraw/zinc/18/43/01/803184301.db2.gz GGDJMUHDFKTXHV-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM COC(=O)CCc1ccc(-c2cc(F)c([O-])c(F)c2)cc1 ZINC001244097311 803185036 /nfs/dbraw/zinc/18/50/36/803185036.db2.gz SZCCQVGVFDVSGK-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM Cn1c(=O)ccc2ccc(-c3cc(F)c([O-])c(F)c3)cc21 ZINC001244099026 803186976 /nfs/dbraw/zinc/18/69/76/803186976.db2.gz UMUGWRSKFDDJNB-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cc(O)ccc3C)ccc2[n-]1 ZINC001244451930 803374041 /nfs/dbraw/zinc/37/40/41/803374041.db2.gz DZVPMWSOZNMFGO-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cc(O)ccc3C)cc2[n-]1 ZINC001244451930 803374042 /nfs/dbraw/zinc/37/40/42/803374042.db2.gz DZVPMWSOZNMFGO-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM [O-]c1ccc(OC(F)(F)F)cc1-c1ncnn2cccc12 ZINC001244459920 803379371 /nfs/dbraw/zinc/37/93/71/803379371.db2.gz FNOVRGYPVNUWBN-UHFFFAOYSA-N -1 1 295.220 3.001 20 0 CGADMM Cc1nc(-c2c(Cl)ccc([O-])c2F)ncc1F ZINC001244537835 803425100 /nfs/dbraw/zinc/42/51/00/803425100.db2.gz GSBKIEJEFUEAGS-UHFFFAOYSA-N -1 1 256.639 3.089 20 0 CGADMM COc1ccc(-c2c(Cl)ccc([O-])c2F)nc1OC ZINC001244538148 803425907 /nfs/dbraw/zinc/42/59/07/803425907.db2.gz JEBZJAKGQKVBFF-UHFFFAOYSA-N -1 1 283.686 3.264 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cc(N3CCCC3)ncn2)c1F ZINC001244539440 803426495 /nfs/dbraw/zinc/42/64/95/803426495.db2.gz VSPSUBFYZASYKL-UHFFFAOYSA-N -1 1 293.729 3.242 20 0 CGADMM Cc1nc(C)c(F)c(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244539952 803427862 /nfs/dbraw/zinc/42/78/62/803427862.db2.gz AZWJDKYVJBMSFI-UHFFFAOYSA-N -1 1 270.666 3.398 20 0 CGADMM Cc1cnc(-c2c(Cl)ccc([O-])c2F)nc1C ZINC001244541067 803428207 /nfs/dbraw/zinc/42/82/07/803428207.db2.gz XFHUSKPZKYZEDR-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM O=C1NCCc2cccc(-c3c(Cl)ccc([O-])c3F)c21 ZINC001244541960 803429392 /nfs/dbraw/zinc/42/93/92/803429392.db2.gz KGNBUYWYTQDYHU-UHFFFAOYSA-N -1 1 291.709 3.138 20 0 CGADMM Cc1nnc2ccc(-c3c(Cl)ccc([O-])c3F)cn12 ZINC001244543749 803430380 /nfs/dbraw/zinc/43/03/80/803430380.db2.gz ZYNIMDUIFITVCN-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM CCOc1cnc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244543662 803430418 /nfs/dbraw/zinc/43/04/18/803430418.db2.gz YXDISUKUOWKCON-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM NC(=O)c1ccc(-c2c(F)c([O-])ccc2Cl)cc1F ZINC001244543253 803431099 /nfs/dbraw/zinc/43/10/99/803431099.db2.gz QEVNZNMWSFSIRF-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM CCCNC(=S)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001244885323 803563009 /nfs/dbraw/zinc/56/30/09/803563009.db2.gz PGYUYNVTPZVQNJ-UHFFFAOYSA-N -1 1 279.192 3.395 20 0 CGADMM O=C(Nc1cccc(CC(F)(F)F)c1)c1ccc([O-])cn1 ZINC001137090427 803682467 /nfs/dbraw/zinc/68/24/67/803682467.db2.gz GYUXNMIEGXBFMA-UHFFFAOYSA-N -1 1 296.248 3.144 20 0 CGADMM Cc1cnc(-c2c(F)ccc([O-])c2Cl)c(C)n1 ZINC001245825594 803981073 /nfs/dbraw/zinc/98/10/73/803981073.db2.gz DICAEDOYJBRREJ-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM CCOC(=O)c1ccc(-c2c(F)ccc([O-])c2Cl)nc1 ZINC001245828336 803983195 /nfs/dbraw/zinc/98/31/95/803983195.db2.gz SXWSXYUQHZNXBI-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM Cc1ncnc(C)c1-c1c(F)ccc([O-])c1Cl ZINC001245830966 803983922 /nfs/dbraw/zinc/98/39/22/803983922.db2.gz BJAMLZNWGDMXGQ-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3c(n2)COC3)c1Cl ZINC001245829733 803984655 /nfs/dbraw/zinc/98/46/55/803984655.db2.gz ANNJPAIZMUYHTC-UHFFFAOYSA-N -1 1 265.671 3.277 20 0 CGADMM [O-]c1ccc(F)c(-c2cc3c(nn2)CCC3)c1Cl ZINC001245830671 803984958 /nfs/dbraw/zinc/98/49/58/803984958.db2.gz SLAMUIZTOXZEBR-UHFFFAOYSA-N -1 1 264.687 3.130 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc(OCC3CC3)nc2)c1Cl ZINC001245834024 803988556 /nfs/dbraw/zinc/98/85/56/803988556.db2.gz BOTVJIFPSUUCJA-UHFFFAOYSA-N -1 1 294.713 3.431 20 0 CGADMM CCCc1cc(=O)n(-c2cccc(Cl)c2C)[n-]1 ZINC001245925713 804053574 /nfs/dbraw/zinc/05/35/74/804053574.db2.gz VECJSWCCHLUDDN-UHFFFAOYSA-N -1 1 250.729 3.492 20 0 CGADMM CCCCc1cc(=O)n(C(=S)c2ccc(C)cc2)[n-]1 ZINC001245926505 804055312 /nfs/dbraw/zinc/05/53/12/804055312.db2.gz KGWIFYBJOVCAGY-UHFFFAOYSA-N -1 1 274.389 3.464 20 0 CGADMM CC(C)Cc1cc(=O)n(-c2ccc3ncccc3c2)[n-]1 ZINC001245932712 804062165 /nfs/dbraw/zinc/06/21/65/804062165.db2.gz MRCCJORTKVCTPQ-UHFFFAOYSA-N -1 1 267.332 3.325 20 0 CGADMM Nc1ccc(-c2cc(=O)n(Cc3ccccc3F)[n-]2)cc1 ZINC001245936108 804064697 /nfs/dbraw/zinc/06/46/97/804064697.db2.gz GFZSFIPAKDHVJV-UHFFFAOYSA-N -1 1 283.306 3.025 20 0 CGADMM CN(C)c1ccc(-c2cc(=O)n(Cc3ccccc3)[n-]2)cc1 ZINC001245944727 804079495 /nfs/dbraw/zinc/07/94/95/804079495.db2.gz POCOLPVBTWEWIF-UHFFFAOYSA-N -1 1 293.370 3.370 20 0 CGADMM CC(C)(C)[C@H]1CCCN(C(=O)c2cccc([O-])c2F)C1 ZINC001139048317 804118232 /nfs/dbraw/zinc/11/82/32/804118232.db2.gz CDSWPXFJPMSRLJ-NSHDSACASA-N -1 1 279.355 3.430 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(F)c([O-])c2)[C@@H]1C ZINC001139522947 804201827 /nfs/dbraw/zinc/20/18/27/804201827.db2.gz DYLAWPITBUACAR-WZRBSPASSA-N -1 1 279.355 3.333 20 0 CGADMM CN(C(=O)c1cccc([O-])c1F)c1ccc2cc[nH]c2c1 ZINC001140049942 804360264 /nfs/dbraw/zinc/36/02/64/804360264.db2.gz JRKCUSKEDQXOKX-UHFFFAOYSA-N -1 1 284.290 3.289 20 0 CGADMM [O-]c1ccc(CN2CCCCC(F)(F)C2)c(F)c1F ZINC001140889189 804541556 /nfs/dbraw/zinc/54/15/56/804541556.db2.gz AUYDKFPOLFYZRQ-UHFFFAOYSA-N -1 1 277.261 3.292 20 0 CGADMM Cc1cccc2c1CN(Cc1ccc([O-])c(F)c1F)C2 ZINC001140889773 804542859 /nfs/dbraw/zinc/54/28/59/804542859.db2.gz KMGHIUHYFQLGOL-UHFFFAOYSA-N -1 1 275.298 3.495 20 0 CGADMM Cc1cc([C@H]2CCCN2Cc2ccc([O-])c(F)c2F)no1 ZINC001140890085 804543337 /nfs/dbraw/zinc/54/33/37/804543337.db2.gz UOOYFYRZKALUSP-GFCCVEGCSA-N -1 1 294.301 3.304 20 0 CGADMM [O-]c1ccc(CN2CCC[C@H]2c2ccncc2)c(F)c1F ZINC001140894343 804544777 /nfs/dbraw/zinc/54/47/77/804544777.db2.gz VKYCKBPGXDGABH-ZDUSSCGKSA-N -1 1 290.313 3.403 20 0 CGADMM Cc1ccc(CNC(=O)c2cccc([O-])c2F)c(C)c1 ZINC001141510790 804649643 /nfs/dbraw/zinc/64/96/43/804649643.db2.gz LYOUVGQOMTUVHO-UHFFFAOYSA-N -1 1 273.307 3.078 20 0 CGADMM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001142065692 804692564 /nfs/dbraw/zinc/69/25/64/804692564.db2.gz LNPTZTVVGSFKIQ-AAEUAGOBSA-N -1 1 279.355 3.476 20 0 CGADMM CCN(C(=O)c1cccc([O-])c1F)C1CC(C)(C)C1 ZINC001142107875 804696183 /nfs/dbraw/zinc/69/61/83/804696183.db2.gz CICZFWXYPFAVGN-UHFFFAOYSA-N -1 1 265.328 3.182 20 0 CGADMM COc1c(C)cc(-c2noc(-c3ncccc3[O-])n2)cc1C ZINC001212480933 815036032 /nfs/dbraw/zinc/03/60/32/815036032.db2.gz QIPBWJIULQXNFH-UHFFFAOYSA-N -1 1 297.314 3.130 20 0 CGADMM CCc1ccccc1CC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142542674 804736182 /nfs/dbraw/zinc/73/61/82/804736182.db2.gz SVABBJUGFBTCDF-UHFFFAOYSA-N -1 1 291.297 3.414 20 0 CGADMM Cc1ccccc1C1(CNC(=O)c2ccc(F)c([O-])c2)CC1 ZINC001143207548 804821013 /nfs/dbraw/zinc/82/10/13/804821013.db2.gz YAEGNQOSLJEWFV-UHFFFAOYSA-N -1 1 299.345 3.301 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H](C(F)F)C2)c(F)c1 ZINC001144555183 805002888 /nfs/dbraw/zinc/00/28/88/805002888.db2.gz YRJLTKHUUCPKMV-QMMMGPOBSA-N -1 1 277.261 3.148 20 0 CGADMM C[C@]1(F)CCCCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144648791 805022179 /nfs/dbraw/zinc/02/21/79/805022179.db2.gz XFXBTLPKXDHZLZ-AWEZNQCLSA-N -1 1 273.298 3.385 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@@H](F)C(F)(F)CC2)cc1F ZINC001144647021 805023285 /nfs/dbraw/zinc/02/32/85/805023285.db2.gz VRZITASDXOWCQB-GFCCVEGCSA-N -1 1 295.251 3.240 20 0 CGADMM Cc1ccc2c(c1)CN(C(=O)c1cccc([O-])c1F)CC2 ZINC001146363256 805066924 /nfs/dbraw/zinc/06/69/24/805066924.db2.gz PVHYODNUUYKKHL-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM CCc1ccc(F)cc1C(=O)Nc1c([O-])cccc1F ZINC001146492013 805070136 /nfs/dbraw/zinc/07/01/36/805070136.db2.gz IUXLMQFJPFIHQY-UHFFFAOYSA-N -1 1 277.270 3.485 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC001146813363 805092918 /nfs/dbraw/zinc/09/29/18/805092918.db2.gz MIYAOKLJLISPAA-IXPVHAAZSA-N -1 1 289.375 3.068 20 0 CGADMM CCc1ccc(C(=O)Nc2nccc3cc[nH]c32)c([O-])c1 ZINC001147736354 805147306 /nfs/dbraw/zinc/14/73/06/805147306.db2.gz YGTSCWASUMGVAY-UHFFFAOYSA-N -1 1 281.315 3.083 20 0 CGADMM C[C@@H](CNC(=O)c1ccc(F)c([O-])c1)Cc1cccs1 ZINC001148445345 805183169 /nfs/dbraw/zinc/18/31/69/805183169.db2.gz ZSDLKCFAYWOGPV-SNVBAGLBSA-N -1 1 293.363 3.201 20 0 CGADMM Cc1ccc(C(=O)Nc2nc3ccc(F)cc3o2)c([O-])c1 ZINC001148493749 805189816 /nfs/dbraw/zinc/18/98/16/805189816.db2.gz VDPOHQRTCZKKDY-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM Cn1cc(Nc2c([O-])cc(F)cc2F)c2ccncc21 ZINC001249695107 805216222 /nfs/dbraw/zinc/21/62/22/805216222.db2.gz FRDYESVQGRGFMD-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM C[C@@H]1C[C@H](C)CN(Cc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001249775659 805241519 /nfs/dbraw/zinc/24/15/19/805241519.db2.gz DLIGTPJHYNTRHM-AOOOYVTPSA-N -1 1 283.318 3.141 20 0 CGADMM COc1cccc(C(=O)Cc2c(F)cc([O-])cc2F)c1 ZINC001249899815 805289555 /nfs/dbraw/zinc/28/95/55/805289555.db2.gz GTFKBZXQAPGEHJ-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM COc1cccc(C(=O)Cc2cc(F)c([O-])c(F)c2)c1 ZINC001249903225 805292477 /nfs/dbraw/zinc/29/24/77/805292477.db2.gz ZYSUNLGUOBKYNK-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM Nc1ccc(Cl)nc1Nc1cc([O-])c(F)c(F)c1F ZINC001249957211 805324493 /nfs/dbraw/zinc/32/44/93/805324493.db2.gz CBPGLOUTQFEQKM-UHFFFAOYSA-N -1 1 289.644 3.184 20 0 CGADMM COc1cc(C)c(Nc2cc([O-])c(F)c(F)c2F)cn1 ZINC001249960372 805326074 /nfs/dbraw/zinc/32/60/74/805326074.db2.gz DMTMXZYHNSWBDA-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM Nc1ccnc(Cl)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249959578 805326309 /nfs/dbraw/zinc/32/63/09/805326309.db2.gz XOWZVDXMVHNSTJ-UHFFFAOYSA-N -1 1 289.644 3.184 20 0 CGADMM CCOc1cncc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249960963 805328622 /nfs/dbraw/zinc/32/86/22/805328622.db2.gz YLYAAAZDKKHXNR-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM [O-]c1cc(Nc2cnn3cccc(F)c23)c(F)c(F)c1F ZINC001249961741 805329456 /nfs/dbraw/zinc/32/94/56/805329456.db2.gz CQXDYSGEWHFDCN-UHFFFAOYSA-N -1 1 297.211 3.340 20 0 CGADMM [O-]c1cc(Nc2cc(F)ccc2CO)c(F)c(F)c1F ZINC001249965711 805332863 /nfs/dbraw/zinc/33/28/63/805332863.db2.gz HYAMVIRESZGHJZ-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM O=c1[nH]c2cc(Nc3cc([O-])c(F)c(F)c3F)ccc2o1 ZINC001249965979 805333120 /nfs/dbraw/zinc/33/31/20/805333120.db2.gz VQBNUHDUPDBYCM-UHFFFAOYSA-N -1 1 296.204 3.400 20 0 CGADMM Cc1nc2ccc(Nc3cc(Cl)c([O-])cc3F)cn2n1 ZINC001250019882 805369835 /nfs/dbraw/zinc/36/98/35/805369835.db2.gz KDPZTTJFZIAGRR-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM Nc1cc2c(cc1Nc1cc(Cl)c([O-])cc1F)OCO2 ZINC001250024338 805375716 /nfs/dbraw/zinc/37/57/16/805375716.db2.gz YTEORINDWIYTBT-UHFFFAOYSA-N -1 1 296.685 3.239 20 0 CGADMM O=C(Nc1ncsc1C1CC1)c1ccc([O-])c(F)c1 ZINC001153879784 805419028 /nfs/dbraw/zinc/41/90/28/805419028.db2.gz YBEBPHKHNXPGDC-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM COC(=O)c1ccc(Cc2cc(F)c([O-])c(F)c2)cc1 ZINC001250126677 805431127 /nfs/dbraw/zinc/43/11/27/805431127.db2.gz BTPXLDWGMADJOV-UHFFFAOYSA-N -1 1 278.254 3.048 20 0 CGADMM O=C(/C=C/c1ccccc1)NCc1ccc([O-])c(Cl)c1 ZINC001154105503 805433941 /nfs/dbraw/zinc/43/39/41/805433941.db2.gz DWZPNFWYAOAYNS-VQHVLOKHSA-N -1 1 287.746 3.375 20 0 CGADMM O=C(Cc1ccc([O-])c(F)c1F)c1ccc(F)cc1 ZINC001250135127 805436240 /nfs/dbraw/zinc/43/62/40/805436240.db2.gz HKLGDQPDJNDDPH-UHFFFAOYSA-N -1 1 266.218 3.235 20 0 CGADMM CC[C@@H](CC(C)C)C(=O)[N-]Oc1ccccc1F ZINC001154219694 805440841 /nfs/dbraw/zinc/44/08/41/805440841.db2.gz ABKPNJPWHCZJSF-NSHDSACASA-N -1 1 253.317 3.308 20 0 CGADMM COC(=O)c1cccc(Nc2c(F)ccc([O-])c2Cl)n1 ZINC001250227944 805504921 /nfs/dbraw/zinc/50/49/21/805504921.db2.gz DALGBLPXDSXVLE-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM COc1ccc(CO)c(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250236166 805511720 /nfs/dbraw/zinc/51/17/20/805511720.db2.gz KDINOPLKCROYSO-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM COc1ccc(Cc2cc(F)c([O-])c(F)c2)cc1 ZINC001250285328 805541340 /nfs/dbraw/zinc/54/13/40/805541340.db2.gz MRNHHYWMKOMDDZ-UHFFFAOYSA-N -1 1 250.244 3.270 20 0 CGADMM Cc1c(F)cc(-c2noc(-c3ccncc3[O-])n2)cc1F ZINC001212721157 815113928 /nfs/dbraw/zinc/11/39/28/815113928.db2.gz AKPCIVTXGXCDLL-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM O=S(=O)([N-]c1cc(Cl)cs1)C1CCCCC1 ZINC001259809880 807689680 /nfs/dbraw/zinc/68/96/80/807689680.db2.gz KVYYTDXGECTEKT-UHFFFAOYSA-N -1 1 279.814 3.476 20 0 CGADMM CCC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260287893 807696140 /nfs/dbraw/zinc/69/61/40/807696140.db2.gz QHBQRDOKZRBTRD-ZETCQYMHSA-N -1 1 297.754 3.085 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2)c2ccncc12 ZINC001260085529 807696709 /nfs/dbraw/zinc/69/67/09/807696709.db2.gz BLLIZSKCQBEOEA-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1cc2ccccc2s1 ZINC001260724569 807700474 /nfs/dbraw/zinc/70/04/74/807700474.db2.gz KNDBDLSXLFRBBI-SECBINFHSA-N -1 1 269.391 3.442 20 0 CGADMM COc1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001173804447 808678205 /nfs/dbraw/zinc/67/82/05/808678205.db2.gz HJYYXXSDJXZLEG-UHFFFAOYSA-N -1 1 251.232 3.423 20 0 CGADMM CSc1ccc(Nc2cc(=O)[n-]c(SC)n2)cc1 ZINC001173812110 808684475 /nfs/dbraw/zinc/68/44/75/808684475.db2.gz WSOZGEAJPXJXIS-UHFFFAOYSA-N -1 1 279.390 3.370 20 0 CGADMM CC(=O)Nc1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001173830052 808695173 /nfs/dbraw/zinc/69/51/73/808695173.db2.gz JAEZUMNGWLQRGP-UHFFFAOYSA-N -1 1 284.275 3.032 20 0 CGADMM O=S(=O)([O-])c1ccc(Cl)c(N=C2CCCC2)c1 ZINC001173999332 808812505 /nfs/dbraw/zinc/81/25/05/808812505.db2.gz CUZFXSKRDUBTKL-UHFFFAOYSA-N -1 1 273.741 3.066 20 0 CGADMM CN(C)C(=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001174005407 808815746 /nfs/dbraw/zinc/81/57/46/808815746.db2.gz NDZRHAPYUGECMF-UHFFFAOYSA-N -1 1 292.285 3.116 20 0 CGADMM COc1cc(Nc2ccc3nccn3c2)ccc1[S-] ZINC001174280140 808929555 /nfs/dbraw/zinc/92/95/55/808929555.db2.gz RKBDVKLVUDWHTJ-UHFFFAOYSA-N -1 1 271.345 3.375 20 0 CGADMM CN(C)c1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001174877500 809186012 /nfs/dbraw/zinc/18/60/12/809186012.db2.gz FDMJSCPWQIVJND-UHFFFAOYSA-N -1 1 263.728 3.250 20 0 CGADMM CN(C)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001174879657 809187597 /nfs/dbraw/zinc/18/75/97/809187597.db2.gz ANHZXODQOSZQGH-UHFFFAOYSA-N -1 1 264.275 3.480 20 0 CGADMM CSc1nc(Nc2cc(F)c(F)c(F)c2)cc(=O)[n-]1 ZINC001174955340 809215701 /nfs/dbraw/zinc/21/57/01/809215701.db2.gz KQLATWLXYRDHSH-UHFFFAOYSA-N -1 1 287.266 3.065 20 0 CGADMM CN(C)c1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001174964718 809219271 /nfs/dbraw/zinc/21/92/71/809219271.db2.gz KTCJHFQAIIIZCA-UHFFFAOYSA-N -1 1 263.728 3.250 20 0 CGADMM CC(=O)Oc1ccc(F)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213389005 815275351 /nfs/dbraw/zinc/27/53/51/815275351.db2.gz XIFRQCZIDOIHJZ-UHFFFAOYSA-N -1 1 297.232 3.478 20 0 CGADMM Cc1cccc2ncc(Nc3ccc(C(=O)[O-])c(F)c3)n21 ZINC001175159081 809292493 /nfs/dbraw/zinc/29/24/93/809292493.db2.gz ZCFMJGPOEBEORS-UHFFFAOYSA-N -1 1 285.278 3.224 20 0 CGADMM CSc1nc(Nc2ccc(F)c(C)c2)cc(=O)[n-]1 ZINC001175251211 809325228 /nfs/dbraw/zinc/32/52/28/809325228.db2.gz JAGOAWUEHCDYOF-UHFFFAOYSA-N -1 1 265.313 3.095 20 0 CGADMM COc1ncc(C)cc1Nc1ccc(F)c(F)c1[O-] ZINC001175339272 809365215 /nfs/dbraw/zinc/36/52/15/809365215.db2.gz UOWYBKPDFNFVNO-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM Cn1ncc2c1cccc2Nc1c([O-])cc(F)cc1F ZINC001175435643 809404674 /nfs/dbraw/zinc/40/46/74/809404674.db2.gz ZCNCIHXZOUEPBN-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM Cn1ncc2cccc(Nc3c([O-])cc(F)cc3F)c21 ZINC001175442229 809407254 /nfs/dbraw/zinc/40/72/54/809407254.db2.gz KIRRSVRDXGCNND-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM Cn1cc2cccc(Nc3cc(F)c([O-])c(F)c3)c2n1 ZINC001175459698 809414379 /nfs/dbraw/zinc/41/43/79/809414379.db2.gz RFKDDAWVMGTAKG-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM Cn1cc2cccc(Nc3cc([O-])c(F)c(F)c3)c2n1 ZINC001175459711 809414509 /nfs/dbraw/zinc/41/45/09/809414509.db2.gz RROYPPJUMXDGGO-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM Cc1ccc(CN(C(=O)c2ccc([O-])cn2)C(C)C)s1 ZINC001292006696 809425172 /nfs/dbraw/zinc/42/51/72/809425172.db2.gz SYCNHXWGPBCJGB-UHFFFAOYSA-N -1 1 290.388 3.208 20 0 CGADMM Cc1cccc([C@H](C)CNC(=O)c2cc(F)ccc2[O-])c1 ZINC001293832168 809456486 /nfs/dbraw/zinc/45/64/86/809456486.db2.gz WYTPEABBXJPBAW-GFCCVEGCSA-N -1 1 287.334 3.373 20 0 CGADMM C[C@@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)CC(C)(C)C1 ZINC001295561085 809488909 /nfs/dbraw/zinc/48/89/09/809488909.db2.gz XGEZXAOLTGRSJF-NSHDSACASA-N -1 1 295.810 3.483 20 0 CGADMM CC(C)(C)c1nnc([N-]c2ccnc(Br)c2)o1 ZINC001175743206 809527497 /nfs/dbraw/zinc/52/74/97/809527497.db2.gz BTCXXLRLUIQXIW-UHFFFAOYSA-N -1 1 297.156 3.268 20 0 CGADMM O=C(Nc1nccn1C1CC1)c1ccc2ccccc2c1[O-] ZINC001299266253 809546912 /nfs/dbraw/zinc/54/69/12/809546912.db2.gz RVBUKNJNNPXQOA-UHFFFAOYSA-N -1 1 293.326 3.329 20 0 CGADMM CSc1cc(C)ccc1NC(=O)c1cncc([O-])c1 ZINC001299453749 809550607 /nfs/dbraw/zinc/55/06/07/809550607.db2.gz VJCGBYSAMDJIGY-UHFFFAOYSA-N -1 1 274.345 3.070 20 0 CGADMM CCc1cc(C(=O)Nc2cc(F)cc(F)c2[O-])ccc1O ZINC001299580449 809551730 /nfs/dbraw/zinc/55/17/30/809551730.db2.gz GLEUNAKWNKOPMJ-UHFFFAOYSA-N -1 1 293.269 3.191 20 0 CGADMM Cc1cncc(Nc2cc([O-])c(F)c(F)c2)c1C ZINC001213532760 815301060 /nfs/dbraw/zinc/30/10/60/815301060.db2.gz SYEKPKJOLCDMNV-UHFFFAOYSA-N -1 1 250.248 3.426 20 0 CGADMM CC1(C)C[C@@]1(C)C[N-]S(=O)(=O)c1sccc1Cl ZINC001213560744 815303744 /nfs/dbraw/zinc/30/37/44/815303744.db2.gz REAHMYHNQFZJIA-NSHDSACASA-N -1 1 293.841 3.116 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(O)cc1F ZINC001176412895 809690157 /nfs/dbraw/zinc/69/01/57/809690157.db2.gz MZNPHPNVKHANKI-UHFFFAOYSA-N -1 1 287.246 3.087 20 0 CGADMM CC(C)(C)Oc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001176638735 809735411 /nfs/dbraw/zinc/73/54/11/809735411.db2.gz ZTDNKYNLKHBWAB-UHFFFAOYSA-N -1 1 297.358 3.491 20 0 CGADMM CCOc1ccncc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664166 809738287 /nfs/dbraw/zinc/73/82/87/809738287.db2.gz MTJBKMOFHWCOPS-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM CCOc1ncccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664175 809738955 /nfs/dbraw/zinc/73/89/55/809738955.db2.gz QDBAQFKASMSFHZ-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM Cn1ncc2cccc(Nc3c(F)cc(F)c([O-])c3F)c21 ZINC001176672015 809739523 /nfs/dbraw/zinc/73/95/23/809739523.db2.gz RITXSIIDVWBPNQ-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM CCC(CC)[C@H](C)C(=O)[N-]Oc1ccccc1F ZINC001177109433 809780908 /nfs/dbraw/zinc/78/09/08/809780908.db2.gz IHYPURMBKTXFBV-JTQLQIEISA-N -1 1 253.317 3.308 20 0 CGADMM C[C@@H]1[C@@H](C)CCCN1Cc1ncc(Br)cc1[O-] ZINC001179858415 809951894 /nfs/dbraw/zinc/95/18/94/809951894.db2.gz FEVDIGYKRAJDOJ-VHSXEESVSA-N -1 1 299.212 3.170 20 0 CGADMM Cc1cccc2nc(NC(=O)Cc3ccc([S-])cc3)[nH]c21 ZINC001183184223 810138952 /nfs/dbraw/zinc/13/89/52/810138952.db2.gz LSZFBQNJSYSJAB-UHFFFAOYSA-N -1 1 297.383 3.341 20 0 CGADMM CC1(CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCC1 ZINC001185103606 810235277 /nfs/dbraw/zinc/23/52/77/810235277.db2.gz RCLZPJVYNAVAFL-UHFFFAOYSA-N -1 1 285.347 3.097 20 0 CGADMM O=C(NCc1ccc(F)cc1)Nc1ccc([O-])c(F)c1F ZINC001185465306 810266638 /nfs/dbraw/zinc/26/66/38/810266638.db2.gz MEDYQFBDGCOOJL-UHFFFAOYSA-N -1 1 296.248 3.131 20 0 CGADMM O=C(NCc1ccc(F)cc1)Nc1cc([O-])c(F)cc1F ZINC001185471508 810268283 /nfs/dbraw/zinc/26/82/83/810268283.db2.gz BWAAEKVAAJRKBG-UHFFFAOYSA-N -1 1 296.248 3.131 20 0 CGADMM O=C(Nc1cccnc1)Nc1cccc([O-])c1Cl ZINC001185692256 810283787 /nfs/dbraw/zinc/28/37/87/810283787.db2.gz DJQDHTIRIQIBQB-UHFFFAOYSA-N -1 1 263.684 3.085 20 0 CGADMM CC(=O)c1cccc(NC(=O)c2ccc([O-])cc2F)c1C ZINC001186328426 810329315 /nfs/dbraw/zinc/32/93/15/810329315.db2.gz BKRUWIQYHNOFQL-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1)Nc1cccc(F)c1[O-] ZINC001187570061 810405838 /nfs/dbraw/zinc/40/58/38/810405838.db2.gz FUZMGCBRCXPHLV-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM [O-]c1cc(Nc2c(F)cc(CO)cc2F)cc(F)c1F ZINC001214098828 815369147 /nfs/dbraw/zinc/36/91/47/815369147.db2.gz ABZFCBCOJGHUQJ-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM O=S(=O)(CC1CC1)[N-]c1ccccc1OC1CCCC1 ZINC001188964440 810528860 /nfs/dbraw/zinc/52/88/60/810528860.db2.gz XRNOQAGYOOQHPO-UHFFFAOYSA-N -1 1 295.404 3.160 20 0 CGADMM COC(=O)c1c[n-]c(S[C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC001189166467 810546386 /nfs/dbraw/zinc/54/63/86/810546386.db2.gz OZRNUUCXHQOAJR-MYJAWHEDSA-N -1 1 268.382 3.113 20 0 CGADMM Cc1cnc(SCc2coc(-c3ccccc3)n2)[n-]c1=O ZINC001189399460 810567299 /nfs/dbraw/zinc/56/72/99/810567299.db2.gz QNQPOORXBKZNPW-UHFFFAOYSA-N -1 1 299.355 3.438 20 0 CGADMM Cc1ccc(F)cc1CSc1ncc(C)c(=O)[n-]1 ZINC001189399687 810568107 /nfs/dbraw/zinc/56/81/07/810568107.db2.gz WUAPQVPDYOJGGD-UHFFFAOYSA-N -1 1 264.325 3.230 20 0 CGADMM Cc1cccc(CNC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001190995360 810662496 /nfs/dbraw/zinc/66/24/96/810662496.db2.gz YVSAFBQUSIAPAM-UHFFFAOYSA-N -1 1 292.285 3.301 20 0 CGADMM COc1cc(C(=O)NC2(CC3CC3)CC2)cc(Cl)c1[O-] ZINC001191157913 810682616 /nfs/dbraw/zinc/68/26/16/810682616.db2.gz FLTJENMMKNABIL-UHFFFAOYSA-N -1 1 295.766 3.117 20 0 CGADMM CC(C)N(C)C(=O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191487572 810719908 /nfs/dbraw/zinc/71/99/08/810719908.db2.gz GAFAJFCQIMMRBC-UHFFFAOYSA-N -1 1 297.354 3.104 20 0 CGADMM CCOc1ccc(C(=O)[O-])cc1Nc1ccc2nccn2c1 ZINC001214268381 815392393 /nfs/dbraw/zinc/39/23/93/815392393.db2.gz GEUDZXBBLIUEPZ-UHFFFAOYSA-N -1 1 297.314 3.175 20 0 CGADMM CN(CC1CCCCC1)C(=O)c1cc([O-])cc(F)c1F ZINC001192663173 810815562 /nfs/dbraw/zinc/81/55/62/810815562.db2.gz AMJPDGUBYJKCBA-UHFFFAOYSA-N -1 1 283.318 3.323 20 0 CGADMM O=C(Nc1c([O-])cccc1F)OC1CCCCC1 ZINC001193629127 810922389 /nfs/dbraw/zinc/92/23/89/810922389.db2.gz GTUZHCIJXOLZMJ-UHFFFAOYSA-N -1 1 253.273 3.413 20 0 CGADMM CCCCCOC(=O)Nc1ccc([O-])c(F)c1F ZINC001193768553 810950590 /nfs/dbraw/zinc/95/05/90/810950590.db2.gz MZFBBYPRDXIXHL-UHFFFAOYSA-N -1 1 259.252 3.409 20 0 CGADMM COc1ccc(OC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001194533181 811087179 /nfs/dbraw/zinc/08/71/79/811087179.db2.gz PSDKZFRHKPGROD-UHFFFAOYSA-N -1 1 295.241 3.290 20 0 CGADMM C[C@H]1C[C@H](NC(=O)c2cc([O-])cnc2Cl)CC(C)(C)C1 ZINC001195311894 811240445 /nfs/dbraw/zinc/24/04/45/811240445.db2.gz CPCYDCZSBCCIQR-UWVGGRQHSA-N -1 1 296.798 3.385 20 0 CGADMM Cc1ccc2c(cccc2NC(=O)c2nc(C)ccc2[O-])n1 ZINC001195325367 811242010 /nfs/dbraw/zinc/24/20/10/811242010.db2.gz BRMHWZYGSUEBPC-UHFFFAOYSA-N -1 1 293.326 3.205 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)ccc1C ZINC001195483923 811259937 /nfs/dbraw/zinc/25/99/37/811259937.db2.gz HOOLOBAOCTZCKG-UHFFFAOYSA-N -1 1 272.757 3.091 20 0 CGADMM [O-]c1cccc(NC(=S)NC2CCCC2)c1Cl ZINC001198552768 811514976 /nfs/dbraw/zinc/51/49/76/811514976.db2.gz VRCGMXRKMXOOPC-UHFFFAOYSA-N -1 1 270.785 3.275 20 0 CGADMM [O-]c1ccc(NC(=S)Nc2ccccc2)c(F)c1F ZINC001200837341 811751082 /nfs/dbraw/zinc/75/10/82/811751082.db2.gz BOBCQSDWELVVGI-UHFFFAOYSA-N -1 1 280.299 3.479 20 0 CGADMM O=C(Nc1ccc(F)cc1)Nc1c([O-])cccc1F ZINC001202355243 812072496 /nfs/dbraw/zinc/07/24/96/812072496.db2.gz KJYZXMAIBGOXBY-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM O=C(NC(=O)c1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC001202454505 812098183 /nfs/dbraw/zinc/09/81/83/812098183.db2.gz MZSQOYVMYKTHKL-UHFFFAOYSA-N -1 1 290.706 3.008 20 0 CGADMM Cc1ncccc1-c1noc(-c2ccc([O-])cc2Cl)n1 ZINC001215345847 815508032 /nfs/dbraw/zinc/50/80/32/815508032.db2.gz NOCJYQJUXJZHAW-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM [O-]c1cc(O)ccc1-c1nc(-c2cccc(F)c2F)no1 ZINC001215300127 815505088 /nfs/dbraw/zinc/50/50/88/815505088.db2.gz NVEUCNWJTSHNAR-UHFFFAOYSA-N -1 1 290.225 3.093 20 0 CGADMM COc1cccc([O-])c1-c1nc(-c2cnc(C)c(C)c2)no1 ZINC001215325471 815506928 /nfs/dbraw/zinc/50/69/28/815506928.db2.gz VRTUMQOEBOUAMZ-UHFFFAOYSA-N -1 1 297.314 3.130 20 0 CGADMM Cc1cc(O)cc(Nc2c([O-])cc(F)cc2F)c1 ZINC001215513625 815527555 /nfs/dbraw/zinc/52/75/55/815527555.db2.gz RNXZHGXGEPCVEN-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM [O-]c1cc(F)c(Nc2ccccc2OC2COC2)cc1F ZINC001215573300 815538477 /nfs/dbraw/zinc/53/84/77/815538477.db2.gz CKQUVYMPQDRGIC-UHFFFAOYSA-N -1 1 293.269 3.192 20 0 CGADMM Cc1c(Nc2cc(F)c([O-])cc2F)ccc2c1OCCO2 ZINC001215576615 815539452 /nfs/dbraw/zinc/53/94/52/815539452.db2.gz FIXMVEBJJVJKEV-UHFFFAOYSA-N -1 1 293.269 3.494 20 0 CGADMM Cc1ncn(C)c1Nc1ccc(C(=O)[O-])c(C)c1Cl ZINC001215691128 815559583 /nfs/dbraw/zinc/55/95/83/815559583.db2.gz AUCPOMLTEZLJNX-UHFFFAOYSA-N -1 1 279.727 3.132 20 0 CGADMM COc1nc(-c2ccccc2)nc(-c2ccc([O-])cc2F)n1 ZINC001206029537 813171886 /nfs/dbraw/zinc/17/18/86/813171886.db2.gz BXYLUFURSXVDFQ-UHFFFAOYSA-N -1 1 297.289 3.059 20 0 CGADMM CN1CCc2c(F)cc(-c3csc(C(=O)[O-])c3)cc2C1 ZINC001206303474 813280246 /nfs/dbraw/zinc/28/02/46/813280246.db2.gz LLYROSLOGHAZLC-UHFFFAOYSA-N -1 1 291.347 3.240 20 0 CGADMM O=C([O-])c1ccc(Nc2ccc3nc[nH]c3c2)cc1 ZINC001209848176 814165697 /nfs/dbraw/zinc/16/56/97/814165697.db2.gz HCHNOQSYEYPNFK-UHFFFAOYSA-N -1 1 253.261 3.005 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc2[nH]cnc2c1 ZINC001209847761 814166792 /nfs/dbraw/zinc/16/67/92/814166792.db2.gz HMPORUNXOFUJTR-UHFFFAOYSA-N -1 1 260.684 3.061 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc(F)cc1O ZINC001210018311 814246608 /nfs/dbraw/zinc/24/66/08/814246608.db2.gz IJAINKVKKJCKQU-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM COc1ccc(C(C)=O)cc1[N-]c1nnc(C(C)C)o1 ZINC001210075886 814275927 /nfs/dbraw/zinc/27/59/27/814275927.db2.gz BTBHIOMNOFCIBQ-UHFFFAOYSA-N -1 1 275.308 3.148 20 0 CGADMM Cc1cccc(Nc2c([O-])cc(F)cc2F)c1O ZINC001210190302 814329062 /nfs/dbraw/zinc/32/90/62/814329062.db2.gz HYEZAJVWYDWSEE-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM Cc1c(Cl)cc(Nc2ccn(C)n2)c([O-])c1Cl ZINC001210353110 814417558 /nfs/dbraw/zinc/41/75/58/814417558.db2.gz HRERQSPZLGZNIN-UHFFFAOYSA-N -1 1 272.135 3.485 20 0 CGADMM CC(C)(C)c1nnc([N-]c2ccc3ocnc3c2)o1 ZINC001210570047 814532483 /nfs/dbraw/zinc/53/24/83/814532483.db2.gz JFVCTJOHDZPQSX-UHFFFAOYSA-N -1 1 258.281 3.252 20 0 CGADMM O=C1CCCc2ccc(Nc3ncc(F)cc3[O-])cc21 ZINC001210933497 814679144 /nfs/dbraw/zinc/67/91/44/814679144.db2.gz VNQGFDNUHCVLOW-UHFFFAOYSA-N -1 1 272.279 3.189 20 0 CGADMM Cc1cc(NC2CC2)nc(-c2cccc([O-])c2Cl)n1 ZINC001242797658 823135197 /nfs/dbraw/zinc/13/51/97/823135197.db2.gz DNOCQJPORVGQEY-UHFFFAOYSA-N -1 1 275.739 3.385 20 0 CGADMM O=C1NCc2cc(-c3cccc([O-])c3Cl)ccc2N1 ZINC001242800504 823136338 /nfs/dbraw/zinc/13/63/38/823136338.db2.gz JJHYSOUGEDHNQC-UHFFFAOYSA-N -1 1 274.707 3.348 20 0 CGADMM COC(=O)c1ccc(F)c(-c2cccc([O-])c2Cl)n1 ZINC001242800445 823136417 /nfs/dbraw/zinc/13/64/17/823136417.db2.gz HGCIASPUHMURAN-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM [O-]c1cccc(-c2cc(OCC3CC3)ncn2)c1Cl ZINC001242800379 823136493 /nfs/dbraw/zinc/13/64/93/823136493.db2.gz GJCAKRFZCNHKDL-UHFFFAOYSA-N -1 1 276.723 3.291 20 0 CGADMM CCOC(=O)Cc1ncccc1-c1cccc([O-])c1Cl ZINC001242800754 823136974 /nfs/dbraw/zinc/13/69/74/823136974.db2.gz OEUGCALCANCOFC-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM O=c1c(-c2cccc([O-])c2Cl)cccn1-c1cccnc1 ZINC001242802317 823137750 /nfs/dbraw/zinc/13/77/50/823137750.db2.gz WMQFEKKKODCSQE-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM [O-]c1cc(Nc2cnccc2Cl)cc(F)c1F ZINC001211210985 814850402 /nfs/dbraw/zinc/85/04/02/814850402.db2.gz JWLLTYSMDQWBKK-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM CCOC(=O)c1ncccc1-c1cccc([O-])c1Cl ZINC001242802850 823137886 /nfs/dbraw/zinc/13/78/86/823137886.db2.gz RPBDPTDEOLNVTM-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM COc1ncc(-c2cc(F)c([O-])cc2F)c2cc[nH]c21 ZINC001211340487 814882500 /nfs/dbraw/zinc/88/25/00/814882500.db2.gz VSQFJNNWQYFIPW-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM COc1cc(-c2cc(F)c([O-])cc2F)ccc1NC(C)=O ZINC001211350873 814883461 /nfs/dbraw/zinc/88/34/61/814883461.db2.gz WMYCEDRPNGUIJG-UHFFFAOYSA-N -1 1 293.269 3.304 20 0 CGADMM CCc1cc(Nc2ccnc(Cl)c2[O-])ccc1CO ZINC001216106986 815697946 /nfs/dbraw/zinc/69/79/46/815697946.db2.gz BQVTVODWBFLECX-UHFFFAOYSA-N -1 1 278.739 3.239 20 0 CGADMM CSc1nc(Nc2c(F)ccc(F)c2C)cc(=O)[n-]1 ZINC001216342759 815793161 /nfs/dbraw/zinc/79/31/61/815793161.db2.gz RGLAYUQWAXIFFC-UHFFFAOYSA-N -1 1 283.303 3.234 20 0 CGADMM Cc1ccc(-c2noc(-c3cc([O-])cc(F)c3F)n2)nc1 ZINC001216924892 815901123 /nfs/dbraw/zinc/90/11/23/815901123.db2.gz XPSRDINORUQUJI-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1cc(-c2noc(-c3cc([O-])cc(F)c3F)n2)ccn1 ZINC001216924643 815901815 /nfs/dbraw/zinc/90/18/15/815901815.db2.gz UHDSTBCSKNWUBL-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM [O-]c1c(-c2nc(-c3cccnc3)no2)ccc2cccnc21 ZINC001217143013 815911660 /nfs/dbraw/zinc/91/16/60/815911660.db2.gz PPUAWTSKIAMNJX-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM O=C([O-])c1ccccc1-c1cc(N2CCCC2)ccn1 ZINC001242876483 823160962 /nfs/dbraw/zinc/16/09/62/823160962.db2.gz FSBANZOZUJGUSA-UHFFFAOYSA-N -1 1 268.316 3.047 20 0 CGADMM C[C@@H](OCc1nn[n-]n1)c1ccc(-c2ccccc2)cc1 ZINC001223027582 816554273 /nfs/dbraw/zinc/55/42/73/816554273.db2.gz QGJSESJMARPYIW-GFCCVEGCSA-N -1 1 280.331 3.145 20 0 CGADMM O=[P@]([O-])(O)CCCCO[C@@H](c1ccccc1)C1CC1 ZINC001225022296 816934775 /nfs/dbraw/zinc/93/47/75/816934775.db2.gz MIVUNIQYOHYQRV-AWEZNQCLSA-N -1 1 284.292 3.112 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H](C)c1nccs1 ZINC001225618652 817113464 /nfs/dbraw/zinc/11/34/64/817113464.db2.gz HQPRFTMKTAMLOS-SECBINFHSA-N -1 1 263.318 3.191 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H]1CC(F)(F)C1(F)F ZINC001225617905 817114079 /nfs/dbraw/zinc/11/40/79/817114079.db2.gz AMKBMAWDASRRKJ-JTQLQIEISA-N -1 1 278.201 3.017 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H](C)Cc1ccco1 ZINC001225617966 817114436 /nfs/dbraw/zinc/11/44/36/817114436.db2.gz BBPBBZVOXQMZLI-SNVBAGLBSA-N -1 1 260.289 3.198 20 0 CGADMM CCC[C@H](CC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225679594 817139261 /nfs/dbraw/zinc/13/92/61/817139261.db2.gz QNAJTQZTZPZCLE-NSHDSACASA-N -1 1 252.310 3.258 20 0 CGADMM C[C@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)c1nccs1 ZINC001226184204 817292756 /nfs/dbraw/zinc/29/27/56/817292756.db2.gz CETLXCIWANHHJF-JTQLQIEISA-N -1 1 299.355 3.446 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H](C)c1cccc(F)c1 ZINC001226242627 817308632 /nfs/dbraw/zinc/30/86/32/817308632.db2.gz QONWONKUPLSZQQ-MRVPVSSYSA-N -1 1 280.324 3.053 20 0 CGADMM O=c1[n-]cncc1OC1c2ccccc2-c2ccccc21 ZINC001227048844 817543204 /nfs/dbraw/zinc/54/32/04/817543204.db2.gz LOESJMFKZSYNBK-UHFFFAOYSA-N -1 1 276.295 3.331 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001227172237 817579518 /nfs/dbraw/zinc/57/95/18/817579518.db2.gz NAGDGPQZEKIPRY-DEZZGGKRSA-N -1 1 290.359 3.035 20 0 CGADMM CC[C@H](C)[C@H](C)Oc1cc([O-])ccc1C(=O)COC ZINC001227172551 817579701 /nfs/dbraw/zinc/57/97/01/817579701.db2.gz PEQXRWURNNFJSX-QWRGUYRKSA-N -1 1 266.337 3.035 20 0 CGADMM O=C1CC[C@H](Oc2[n-]c(=S)ncc2F)c2ccccc21 ZINC001227383074 817636630 /nfs/dbraw/zinc/63/66/30/817636630.db2.gz JBCJNMHAQNUOQE-LBPRGKRZSA-N -1 1 290.319 3.001 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1ccc(F)c(F)c1 ZINC001227383267 817637145 /nfs/dbraw/zinc/63/71/45/817637145.db2.gz LVBARHPQVOFENC-ZCFIWIBFSA-N -1 1 286.278 3.323 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1-c1cccc2cncn21 ZINC001243205052 823290452 /nfs/dbraw/zinc/29/04/52/823290452.db2.gz FGWCHGVXUXHCCO-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCC(F)(F)C1 ZINC001228554963 817936460 /nfs/dbraw/zinc/93/64/60/817936460.db2.gz ORZFVIUITRDNCY-VIFPVBQESA-N -1 1 286.274 3.257 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCCC[C@H]1F ZINC001228554721 817937159 /nfs/dbraw/zinc/93/71/59/817937159.db2.gz KJHFPSOOZMFFKP-MFKMUULPSA-N -1 1 282.311 3.350 20 0 CGADMM Cc1ccc(C)c2c1CCC[C@@H]2Oc1cnnc(=S)[n-]1 ZINC001228642516 817961215 /nfs/dbraw/zinc/96/12/15/817961215.db2.gz PZSSZAUTNGROSJ-LBPRGKRZSA-N -1 1 287.388 3.234 20 0 CGADMM C[C@H](Oc1cccnc1-c1ncccc1[O-])c1nccs1 ZINC001231201523 818056117 /nfs/dbraw/zinc/05/61/17/818056117.db2.gz ARKCNNYHUQZJDM-JTQLQIEISA-N -1 1 299.355 3.446 20 0 CGADMM [O-]c1cccnc1-c1ncccc1O[C@@H]1C=CCCC1 ZINC001231201115 818056760 /nfs/dbraw/zinc/05/67/60/818056760.db2.gz XJURGEXLWUPUDY-GFCCVEGCSA-N -1 1 268.316 3.337 20 0 CGADMM O=C([O-])c1ccc(F)c(CN2CCC[C@H](C(F)F)C2)c1 ZINC001231458337 818101721 /nfs/dbraw/zinc/10/17/21/818101721.db2.gz HMXURQDQUWGXBS-JTQLQIEISA-N -1 1 287.281 3.001 20 0 CGADMM [O-]c1c(F)ccc(CN2CC3(C2)CCCC3)c1F ZINC001232934799 818474935 /nfs/dbraw/zinc/47/49/35/818474935.db2.gz WHXXYPZWAKEPHD-UHFFFAOYSA-N -1 1 253.292 3.046 20 0 CGADMM C[C@@]1(F)CCCCN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232931305 818475012 /nfs/dbraw/zinc/47/50/12/818475012.db2.gz MCIBYEKWDCEBIP-CQSZACIVSA-N -1 1 273.298 3.385 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@H](C(F)(F)F)C2)c1F ZINC001232936184 818476924 /nfs/dbraw/zinc/47/69/24/818476924.db2.gz QYENYPCJRZTVCM-VIFPVBQESA-N -1 1 295.251 3.445 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@@H](C(F)F)C2)c1F ZINC001232935741 818477823 /nfs/dbraw/zinc/47/78/23/818477823.db2.gz WLAMJTMDMKWPKD-SECBINFHSA-N -1 1 277.261 3.148 20 0 CGADMM [O-]c1cc(CN2CC[C@H](CF)C(F)(F)C2)cc(F)c1F ZINC001232970814 818486791 /nfs/dbraw/zinc/48/67/91/818486791.db2.gz NTENZSTWLJHFES-SECBINFHSA-N -1 1 295.251 3.097 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCC(C(F)(F)F)CC1 ZINC001233032748 818504782 /nfs/dbraw/zinc/50/47/82/818504782.db2.gz RMSKRJBKHVYTPH-UHFFFAOYSA-N -1 1 294.704 3.215 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCC[C@@H]1c1nccs1 ZINC001233037825 818508306 /nfs/dbraw/zinc/50/83/06/818508306.db2.gz GDUIJUARZQFQNS-SNVBAGLBSA-N -1 1 295.795 3.234 20 0 CGADMM C[C@]1(F)CC[N@@H+](Cc2ccc([S-])cc2)C[C@H]1F ZINC001233259056 818558699 /nfs/dbraw/zinc/55/86/99/818558699.db2.gz DUQFAHJBGDXEMN-OLZOCXBDSA-N -1 1 257.349 3.247 20 0 CGADMM C[C@]1(F)CCN(Cc2ccc([S-])cc2)C[C@H]1F ZINC001233259056 818558703 /nfs/dbraw/zinc/55/87/03/818558703.db2.gz DUQFAHJBGDXEMN-OLZOCXBDSA-N -1 1 257.349 3.247 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1CCOC[C@H]1C ZINC001233653349 818671536 /nfs/dbraw/zinc/67/15/36/818671536.db2.gz KEQBQOMQNOGRID-ABAIWWIYSA-N -1 1 278.348 3.179 20 0 CGADMM C[C@H]1C(=O)Nc2cc(-c3ccc([O-])c(F)c3F)ccc21 ZINC001243341727 823355772 /nfs/dbraw/zinc/35/57/72/823355772.db2.gz CEYDTBZQERGVQY-SSDOTTSWSA-N -1 1 275.254 3.393 20 0 CGADMM CSc1cncc(-c2ccc([O-])c(F)c2F)c1 ZINC001243342769 823357338 /nfs/dbraw/zinc/35/73/38/823357338.db2.gz TVDSBJWPAHWIEL-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM COc1nc(C)ccc1-c1ccc([O-])c(F)c1F ZINC001243342264 823357570 /nfs/dbraw/zinc/35/75/70/823357570.db2.gz CRRHSHOCLYVSJL-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COc1ncnc2ccc(-c3ccc([O-])c(F)c3F)cc21 ZINC001243342172 823357977 /nfs/dbraw/zinc/35/79/77/823357977.db2.gz JXZBXUZKDVZTHZ-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM COC(=O)Cc1cccc(-c2ccc([O-])c(F)c2F)c1 ZINC001243343186 823358655 /nfs/dbraw/zinc/35/86/55/823358655.db2.gz XKSQNHUPRVZFLS-UHFFFAOYSA-N -1 1 278.254 3.053 20 0 CGADMM Cn1cnc2cccc(-c3ccc([O-])c(F)c3F)c21 ZINC001243343500 823359386 /nfs/dbraw/zinc/35/93/86/823359386.db2.gz FKDUALHHNQYGRC-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM O=C([O-])C=Cc1ccc(-c2ccc3nc[nH]c3c2)cc1 ZINC001235271792 819058764 /nfs/dbraw/zinc/05/87/64/819058764.db2.gz WFNPLRPLMKNSMT-FPYGCLRLSA-N -1 1 264.284 3.328 20 0 CGADMM CN1CCc2c(F)cc(-c3ccc(C(=O)[O-])cc3)cc2C1 ZINC001236064544 819297196 /nfs/dbraw/zinc/29/71/96/819297196.db2.gz QQKLGZWVKSYYSS-UHFFFAOYSA-N -1 1 285.318 3.179 20 0 CGADMM CCOC(=O)c1cc(F)cnc1-c1c(F)ccc(C)c1[O-] ZINC001236390323 819446019 /nfs/dbraw/zinc/44/60/19/819446019.db2.gz IXYSHUUIDMGWCR-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM CCN(CC)c1cncc(-c2c(F)ccc(C)c2[O-])n1 ZINC001236393597 819448760 /nfs/dbraw/zinc/44/87/60/819448760.db2.gz WOVOVRJUOSBARN-UHFFFAOYSA-N -1 1 275.327 3.143 20 0 CGADMM CSc1cnc(-c2c(F)ccc(C)c2[O-])cn1 ZINC001236405306 819453044 /nfs/dbraw/zinc/45/30/44/819453044.db2.gz KCMCLYJPFYHRAK-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM COc1cc(OC)c(-c2cc(F)cc(F)c2[O-])cc1OC ZINC001243505001 823423005 /nfs/dbraw/zinc/42/30/05/823423005.db2.gz DNTNDTCTAABQQM-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cnc2[nH]ccc2c1F ZINC001243505439 823423550 /nfs/dbraw/zinc/42/35/50/823423550.db2.gz RXQTYMADWDUYAC-UHFFFAOYSA-N -1 1 264.206 3.304 20 0 CGADMM O=C([O-])c1ccc(-c2cccc3nc[nH]c32)c(F)c1F ZINC001243513412 823426836 /nfs/dbraw/zinc/42/68/36/823426836.db2.gz FYYFVWGSZCEOMU-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM COC1(C)CCN(Cc2cc(F)c([O-])c(Cl)c2)CC1 ZINC001237983189 819903910 /nfs/dbraw/zinc/90/39/10/819903910.db2.gz DEUSWFLVFHEWTD-UHFFFAOYSA-N -1 1 287.762 3.186 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@]3(CCOC3)C2)cc1Cl ZINC001238146776 819942942 /nfs/dbraw/zinc/94/29/42/819942942.db2.gz OCMKXEXBCVCSNI-HNNXBMFYSA-N -1 1 299.773 3.187 20 0 CGADMM COCCN(Cc1cc(Cl)c([O-])cc1F)C(C)C ZINC001238153085 819944341 /nfs/dbraw/zinc/94/43/41/819944341.db2.gz VAPFVCSMVUAQGZ-UHFFFAOYSA-N -1 1 275.751 3.042 20 0 CGADMM Cc1ccc2c(c1)CN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001238232346 819966791 /nfs/dbraw/zinc/96/67/91/819966791.db2.gz DDQWIOWTCASTOP-UHFFFAOYSA-N -1 1 299.345 3.391 20 0 CGADMM COC(=O)c1ccnc(-c2ccc(Cl)c([O-])c2)c1C ZINC001243576986 823451251 /nfs/dbraw/zinc/45/12/51/823451251.db2.gz QDVAZFHVJJFKAC-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM [O-]c1cc(-c2cnc3cccnc3n2)ccc1Cl ZINC001243577005 823451256 /nfs/dbraw/zinc/45/12/56/823451256.db2.gz YXVXDIRSIXLTBI-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM [O-]c1cc(-c2cnc(N3CCCC3)nc2)ccc1Cl ZINC001243578295 823451904 /nfs/dbraw/zinc/45/19/04/823451904.db2.gz MODYYFFRJLHZQG-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM [O-]c1cc(-c2ncc(F)c3nccnc32)ccc1Cl ZINC001243578695 823452618 /nfs/dbraw/zinc/45/26/18/823452618.db2.gz IJWJXHVWYHEADQ-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM COC(=O)c1cnc(-c2ccc(Cl)c([O-])c2)cc1F ZINC001243579055 823452868 /nfs/dbraw/zinc/45/28/68/823452868.db2.gz MZSNTBISMKOEKI-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM CSc1ccc(-c2ccc(Cl)c([O-])c2)nn1 ZINC001243579002 823452927 /nfs/dbraw/zinc/45/29/27/823452927.db2.gz OGNYAQWZQMAFQB-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM O=C1Cc2cc(-c3ccc(C4CC4)cc3)ccc2C(=O)[N-]1 ZINC001238835342 820130551 /nfs/dbraw/zinc/13/05/51/820130551.db2.gz CWWXRUUBQHVRJY-UHFFFAOYSA-N -1 1 277.323 3.044 20 0 CGADMM Nc1cnc(-c2ccc(C(F)(F)F)cc2[O-])c(F)c1 ZINC001243607033 823465085 /nfs/dbraw/zinc/46/50/85/823465085.db2.gz MGTGFNSHSFORCE-UHFFFAOYSA-N -1 1 272.201 3.194 20 0 CGADMM Cc1ccc2ncc(-c3cc(F)ccc3[O-])nc2c1 ZINC001240693336 821248680 /nfs/dbraw/zinc/24/86/80/821248680.db2.gz NQRJRADPVRZBLU-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM [O-]c1ccc(F)cc1-c1ncnc2cc(F)cc(F)c21 ZINC001240694070 821250190 /nfs/dbraw/zinc/25/01/90/821250190.db2.gz OVVQFVMBKXLPCB-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM [O-]c1ccc(F)cc1-c1nncc2ccc(F)cc21 ZINC001240693804 821250319 /nfs/dbraw/zinc/25/03/19/821250319.db2.gz ICXMHAXPPQKHDE-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOC(=O)c1c(C)cc(-c2cc(F)ccc2[O-])nc1C ZINC001240694488 821250967 /nfs/dbraw/zinc/25/09/67/821250967.db2.gz VTFKSJHGEKVLQK-UHFFFAOYSA-N -1 1 289.306 3.387 20 0 CGADMM COc1nnc(-c2cc(F)ccc2[O-])c2ccccc21 ZINC001240695210 821251541 /nfs/dbraw/zinc/25/15/41/821251541.db2.gz FJVJJRGOTBSMDG-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM CCSc1cncc(-c2cc(F)ccc2[O-])n1 ZINC001240696003 821252243 /nfs/dbraw/zinc/25/22/43/821252243.db2.gz VWAHFCLPMDLLHS-UHFFFAOYSA-N -1 1 250.298 3.100 20 0 CGADMM COc1cc(C(=O)[O-])ccc1-c1cc(N2CCCC2)ccn1 ZINC001240734438 821287183 /nfs/dbraw/zinc/28/71/83/821287183.db2.gz VHSQKNKTQOZGOY-UHFFFAOYSA-N -1 1 298.342 3.056 20 0 CGADMM c1ccc2cc(-c3ccc(-c4nnn[n-]4)nc3)ccc2c1 ZINC001240910169 821408045 /nfs/dbraw/zinc/40/80/45/821408045.db2.gz XLAOKSGVSDUMNJ-UHFFFAOYSA-N -1 1 273.299 3.082 20 0 CGADMM c1ccc2cc(-c3ccc(-c4nn[n-]n4)nc3)ccc2c1 ZINC001240910169 821408052 /nfs/dbraw/zinc/40/80/52/821408052.db2.gz XLAOKSGVSDUMNJ-UHFFFAOYSA-N -1 1 273.299 3.082 20 0 CGADMM CCCNc1cc(C)nc(-c2ccc(C)cc2[O-])n1 ZINC001241028362 821502616 /nfs/dbraw/zinc/50/26/16/821502616.db2.gz MBCYPEQCBZXGRJ-UHFFFAOYSA-N -1 1 257.337 3.288 20 0 CGADMM Cc1ccc(-c2nc(C)cc(N3CCCC3)n2)c([O-])c1 ZINC001241028046 821502694 /nfs/dbraw/zinc/50/26/94/821502694.db2.gz HYAJMAFXZYVATK-UHFFFAOYSA-N -1 1 269.348 3.066 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccc(O)cc3)ccc2[n-]1 ZINC001241065684 821535435 /nfs/dbraw/zinc/53/54/35/821535435.db2.gz UNHUETWZPDKGEO-UHFFFAOYSA-N -1 1 282.299 3.112 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccc(O)cc3)cc2[n-]1 ZINC001241065684 821535438 /nfs/dbraw/zinc/53/54/38/821535438.db2.gz UNHUETWZPDKGEO-UHFFFAOYSA-N -1 1 282.299 3.112 20 0 CGADMM [O-]c1cc(F)c(-c2nccc3ncccc32)c(F)c1 ZINC001241116664 821571397 /nfs/dbraw/zinc/57/13/97/821571397.db2.gz FINJKYNQWKGKED-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM C=C(OCC)c1ccc(-c2c(F)cc([O-])cc2F)nn1 ZINC001241117998 821573049 /nfs/dbraw/zinc/57/30/49/821573049.db2.gz BVKUKRNGMQZJNN-UHFFFAOYSA-N -1 1 278.258 3.135 20 0 CGADMM CC(C)Cc1cc(-c2c(F)cc([O-])cc2F)ncn1 ZINC001241120192 821575290 /nfs/dbraw/zinc/57/52/90/821575290.db2.gz MXBZRWMRDTYYSS-UHFFFAOYSA-N -1 1 264.275 3.326 20 0 CGADMM [O-]c1cc(F)c(-c2cc3c(nn2)CCCC3)c(F)c1 ZINC001241120278 821575899 /nfs/dbraw/zinc/57/58/99/821575899.db2.gz XTWWSGMTWOMCCK-UHFFFAOYSA-N -1 1 262.259 3.006 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3cnncc32)c(F)c1 ZINC001241121351 821577407 /nfs/dbraw/zinc/57/74/07/821577407.db2.gz HOVWEEWRZHXLNK-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1cc2nc[nH]c2cc1-c1c(F)cc([O-])cc1F ZINC001241120731 821577416 /nfs/dbraw/zinc/57/74/16/821577416.db2.gz IQLYZOMUCKEMTJ-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM CSc1ncc(-c2c(F)cc([O-])cc2F)c(C)n1 ZINC001241124404 821581832 /nfs/dbraw/zinc/58/18/32/821581832.db2.gz FHAZIGJVIURSRC-UHFFFAOYSA-N -1 1 268.288 3.158 20 0 CGADMM COc1cc2[nH]cnc2cc1-c1ccc(F)c(C(=O)[O-])c1 ZINC001241245586 821666714 /nfs/dbraw/zinc/66/67/14/821666714.db2.gz GZTOWILHXWGDRH-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ccc2nccn2n1 ZINC001242139893 822891062 /nfs/dbraw/zinc/89/10/62/822891062.db2.gz MGJXGTMOSHEFBY-UHFFFAOYSA-N -1 1 279.221 3.121 20 0 CGADMM COc1cc(C)nc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151580 822896060 /nfs/dbraw/zinc/89/60/60/822896060.db2.gz QFRWXDMJTHKSOE-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM [O-]c1cc(F)ccc1-c1cc(C(F)(F)F)[nH]c(=S)n1 ZINC001242218288 822915147 /nfs/dbraw/zinc/91/51/47/822915147.db2.gz QMYKAQYPXJPSJN-UHFFFAOYSA-N -1 1 290.241 3.296 20 0 CGADMM CN1C(=O)Cc2cc(-c3cccc(Cl)c3[O-])ccc21 ZINC001242364119 822968213 /nfs/dbraw/zinc/96/82/13/822968213.db2.gz CMDOFNHATKFVCA-UHFFFAOYSA-N -1 1 273.719 3.232 20 0 CGADMM CC(C)(C(=O)Nc1cccc(F)c1[O-])C(F)(F)F ZINC001352474199 937043765 /nfs/dbraw/zinc/04/37/65/937043765.db2.gz FGTBHGLGGKGCAS-UHFFFAOYSA-N -1 1 265.206 3.058 20 0 CGADMM CC(C)(C(=O)Nc1cc(F)cc(F)c1[O-])C(F)(F)F ZINC001349950674 926788980 /nfs/dbraw/zinc/78/89/80/926788980.db2.gz HGQSGGVSNGBKFD-UHFFFAOYSA-N -1 1 283.196 3.197 20 0 CGADMM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1CC(C)C ZINC000211358760 927934098 /nfs/dbraw/zinc/93/40/98/927934098.db2.gz OBRMQCHBSJNCKN-WUXMJOGZSA-N -1 1 278.377 3.085 20 0 CGADMM O=C(Nc1c[n-][nH]c1=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001364511322 937233340 /nfs/dbraw/zinc/23/33/40/937233340.db2.gz GORNQCSVFVQRHE-CHWSQXEVSA-N -1 1 285.347 3.028 20 0 CGADMM Cc1c([N-]C(=O)c2c(F)ccnc2F)noc1C(C)(C)C ZINC001438605811 937307937 /nfs/dbraw/zinc/30/79/37/937307937.db2.gz PFKMIERBKILFSN-UHFFFAOYSA-N -1 1 295.289 3.206 20 0 CGADMM O=C(N[C@@H]1CSc2ccccc21)c1ccc(F)c([O-])c1 ZINC001444470186 937353029 /nfs/dbraw/zinc/35/30/29/937353029.db2.gz RONJDJVOSRGALO-GFCCVEGCSA-N -1 1 289.331 3.108 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)[C@H](C)c2ccccc2)c([O-])c1 ZINC001445163033 937355871 /nfs/dbraw/zinc/35/58/71/937355871.db2.gz ODRINNJCYDSRMN-QWHCGFSZSA-N -1 1 284.359 3.018 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2cccc([O-])c2F)[C@H]1C ZINC001448659379 937375978 /nfs/dbraw/zinc/37/59/78/937375978.db2.gz JGZGJOMNKHGBBG-GRYCIOLGSA-N -1 1 279.355 3.333 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC(C2CCCCC2)C1 ZINC001450342407 937384825 /nfs/dbraw/zinc/38/48/25/937384825.db2.gz CSLULGPBFRQFEV-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM C[C@@H](Cc1ccco1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001449448249 937379818 /nfs/dbraw/zinc/37/98/18/937379818.db2.gz NWIHRVCQWJGJPY-QMMMGPOBSA-N -1 1 281.258 3.081 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccc(-c2cnco2)cc1 ZINC001454756016 937412291 /nfs/dbraw/zinc/41/22/91/937412291.db2.gz KGGNLEDDOIEXGC-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM Cc1cccc2c1CCN2C(=O)c1ccc(F)c([O-])c1 ZINC001455016278 937413607 /nfs/dbraw/zinc/41/36/07/937413607.db2.gz SQVHTYFEDJXLTG-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM CCCCCC[C@H](C)CC(=O)Nc1c[n-][nH]c1=O ZINC001457824884 937446688 /nfs/dbraw/zinc/44/66/88/937446688.db2.gz XWTPESCHSCWMQD-JTQLQIEISA-N -1 1 253.346 3.050 20 0 CGADMM Cc1nc(SCCc2cccc(F)c2)[n-]c(=O)c1C ZINC001459019430 937478306 /nfs/dbraw/zinc/47/83/06/937478306.db2.gz VWIXRJVAWSFMJU-UHFFFAOYSA-N -1 1 278.352 3.273 20 0 CGADMM O=c1ccc2c(O[C@H]3CCCC[C@H]3F)cc([O-])cc2o1 ZINC001229135977 932102992 /nfs/dbraw/zinc/10/29/92/932102992.db2.gz SUERIVQVFMVIIJ-NEPJUHHUSA-N -1 1 278.279 3.158 20 0 CGADMM CC[C@@H](Oc1cc([O-])c(Cl)cc1Cl)C(=O)OC ZINC001229406352 932146046 /nfs/dbraw/zinc/14/60/46/932146046.db2.gz RSALXWHKHLLBAL-SECBINFHSA-N -1 1 279.119 3.029 20 0 CGADMM [O-]c1cc(O[C@H]2CCc3nccn3C2)c(Cl)cc1Cl ZINC001229406585 932146111 /nfs/dbraw/zinc/14/61/11/932146111.db2.gz ZYDPAEOZUOFVHV-QMMMGPOBSA-N -1 1 299.157 3.289 20 0 CGADMM [O-]c1cc(O[C@@H]2CCn3ccnc32)c(Cl)cc1Cl ZINC001229412159 932147485 /nfs/dbraw/zinc/14/74/85/932147485.db2.gz ZJHRFEDNBSSBAI-SNVBAGLBSA-N -1 1 285.130 3.419 20 0 CGADMM COC(=O)c1c[n-]c(O[C@H]2CC[C@@H](C(C)(C)C)CC2)n1 ZINC001230282231 932550836 /nfs/dbraw/zinc/55/08/36/932550836.db2.gz RUUKWKUKXREDGL-PHIMTYICSA-N -1 1 280.368 3.180 20 0 CGADMM CC1(C)CCC[C@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001304012237 932840023 /nfs/dbraw/zinc/84/00/23/932840023.db2.gz JGKSTGAUTPTOKF-LBPRGKRZSA-N -1 1 297.345 3.155 20 0 CGADMM Cc1ncccc1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC001304284213 932848458 /nfs/dbraw/zinc/84/84/58/932848458.db2.gz JBFYBMIMJJNZOT-UHFFFAOYSA-N -1 1 294.713 3.069 20 0 CGADMM O=C(NC/C=C\Cl)c1c([O-])cnc2ccc(Cl)cc21 ZINC001306902670 932892606 /nfs/dbraw/zinc/89/26/06/932892606.db2.gz JVQBTZJUTLTIEO-RJRFIUFISA-N -1 1 297.141 3.076 20 0 CGADMM C[C@@H]1CCN(Cc2ncc(Br)cc2[O-])[C@H](C)C1 ZINC001308829753 933185602 /nfs/dbraw/zinc/18/56/02/933185602.db2.gz WZIFMVRIDJHRDQ-NXEZZACHSA-N -1 1 299.212 3.170 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NCCC2=CCCCC2)c1 ZINC001463845707 937681363 /nfs/dbraw/zinc/68/13/63/937681363.db2.gz NYMRYYIJIPWESZ-UHFFFAOYSA-N -1 1 287.359 3.133 20 0 CGADMM Cc1cccc([C@H]2CCCN2C(=O)c2ccc([O-])cn2)c1 ZINC001464390761 937690055 /nfs/dbraw/zinc/69/00/55/937690055.db2.gz GSVLPBCKZDTGGI-MRXNPFEDSA-N -1 1 282.343 3.073 20 0 CGADMM CN(C(=O)c1ccc([O-])cc1F)c1ccc(F)c(F)c1 ZINC001464477603 937691000 /nfs/dbraw/zinc/69/10/00/937691000.db2.gz XQESFBKEPINQMY-UHFFFAOYSA-N -1 1 281.233 3.086 20 0 CGADMM C[C@H](CNC(=O)c1cccc([O-])c1F)c1ccc(F)cc1 ZINC001464645866 937693402 /nfs/dbraw/zinc/69/34/02/937693402.db2.gz PNELJIJLUBXLAW-SNVBAGLBSA-N -1 1 291.297 3.204 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NCCCCC(C)C)c1 ZINC001465320396 937700006 /nfs/dbraw/zinc/70/00/06/937700006.db2.gz IXDLRZIDSIGCQO-UHFFFAOYSA-N -1 1 277.364 3.069 20 0 CGADMM O=C(NC12CCC(CC1)C2)c1ncc2ccccc2c1[O-] ZINC001466827352 937712989 /nfs/dbraw/zinc/71/29/89/937712989.db2.gz MBZNBQRIIKTVAT-UHFFFAOYSA-N -1 1 282.343 3.003 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1ccc(F)c(F)c1 ZINC001467998223 937723624 /nfs/dbraw/zinc/72/36/24/937723624.db2.gz CNBZYCMQTDBVBZ-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM CSc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)o1 ZINC001468747025 937731242 /nfs/dbraw/zinc/73/12/42/937731242.db2.gz ASXQJRNBZBDNBX-UHFFFAOYSA-N -1 1 285.271 3.238 20 0 CGADMM CC/C=C\CNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001468429679 937728022 /nfs/dbraw/zinc/72/80/22/937728022.db2.gz UEFAAPVDWNKACM-ARJAWSKDSA-N -1 1 299.326 3.161 20 0 CGADMM Cc1ccc2c(c1)[C@H](NC(=O)c1ncc(C)cc1[O-])CCC2 ZINC001468561277 937729435 /nfs/dbraw/zinc/72/94/35/937729435.db2.gz JKKYUEDCQTWDEM-OAHLLOKOSA-N -1 1 296.370 3.211 20 0 CGADMM O=C(NCC(C1CCC1)C1CCC1)c1ccc([O-])c(F)c1 ZINC001470452919 937753331 /nfs/dbraw/zinc/75/33/31/937753331.db2.gz MPTIRWIEHMYPMI-UHFFFAOYSA-N -1 1 291.366 3.478 20 0 CGADMM CCn1nc(C)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001470780836 937757546 /nfs/dbraw/zinc/75/75/46/937757546.db2.gz YBELYVKIBQOYCJ-UHFFFAOYSA-N -1 1 287.363 3.293 20 0 CGADMM C[C@H]1Cc2cccc(C(=O)Nc3cccc(F)c3[O-])c2O1 ZINC001471168736 937761972 /nfs/dbraw/zinc/76/19/72/937761972.db2.gz RIRQPWWBLFYIKM-VIFPVBQESA-N -1 1 287.290 3.107 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001471170154 937762059 /nfs/dbraw/zinc/76/20/59/937762059.db2.gz ZUHVYOUIRQHOND-BYCMXARLSA-N -1 1 283.302 3.056 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1cscc1Cl ZINC001471683699 937768079 /nfs/dbraw/zinc/76/80/79/937768079.db2.gz IWZXVSVCSBMMKK-UHFFFAOYSA-N -1 1 283.736 3.368 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cc(Cl)no1 ZINC001472195112 937773658 /nfs/dbraw/zinc/77/36/58/937773658.db2.gz XJNSMOXTSCZHKX-UHFFFAOYSA-N -1 1 291.065 3.078 20 0 CGADMM Cc1nc(-c2ccc(NC/C=C\C3CC3)nc2)[n-]c(=O)c1C ZINC001324475489 934512228 /nfs/dbraw/zinc/51/22/28/934512228.db2.gz KYYYTKARMNJOLG-ARJAWSKDSA-N -1 1 296.374 3.239 20 0 CGADMM O=c1cc(CSCc2ccccn2)c2ccc([O-])cc2o1 ZINC001473065670 937791381 /nfs/dbraw/zinc/79/13/81/937791381.db2.gz CKNOVXZIVUDEQE-UHFFFAOYSA-N -1 1 299.351 3.327 20 0 CGADMM CCc1ccc2nc(-c3ccc4c(c3)CCO4)[n-]c(=O)c2c1 ZINC001334540373 936104978 /nfs/dbraw/zinc/10/49/78/936104978.db2.gz SJGVTWNHEHYOND-UHFFFAOYSA-N -1 1 292.338 3.087 20 0 CGADMM CC[C@H](NCc1cc(C(=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC001334798559 936115490 /nfs/dbraw/zinc/11/54/90/936115490.db2.gz FETOVMJUWXFQFL-LBPRGKRZSA-N -1 1 293.754 3.002 20 0 CGADMM CCCCN(C(=O)c1cnncc1[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001335971781 936169473 /nfs/dbraw/zinc/16/94/73/936169473.db2.gz XPDSIMYBHFBDRF-CHWSQXEVSA-N -1 1 291.395 3.003 20 0 CGADMM O=C(Nc1ccccc1N1CCCCC1)c1ccc([O-])cn1 ZINC001540386784 938130841 /nfs/dbraw/zinc/13/08/41/938130841.db2.gz GVGJTNMJFSPMII-UHFFFAOYSA-N -1 1 297.358 3.030 20 0 CGADMM O=C(NCC1(c2ccccc2)CCCC1)c1ncccc1[O-] ZINC001540613579 938132450 /nfs/dbraw/zinc/13/24/50/938132450.db2.gz YQLDYTKOKYZJCX-UHFFFAOYSA-N -1 1 296.370 3.029 20 0 CGADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc([O-])c1F ZINC001540667105 938132840 /nfs/dbraw/zinc/13/28/40/938132840.db2.gz AWZXMXOOQSNOHQ-JQWIXIFHSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1cccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])n1 ZINC001544105652 938143381 /nfs/dbraw/zinc/14/33/81/938143381.db2.gz JPQITNBBJVODNY-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM O=C(CCc1ccccc1)Nc1ccc([O-])c(F)c1F ZINC001556592093 938204405 /nfs/dbraw/zinc/20/44/05/938204405.db2.gz XPNIUAIALFEUGX-UHFFFAOYSA-N -1 1 277.270 3.242 20 0 CGADMM CC(C)(CCNC(=O)c1cccc([O-])c1F)C1CC1 ZINC001556756173 938205522 /nfs/dbraw/zinc/20/55/22/938205522.db2.gz HRKPJIMEAGNDOR-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)[C@@H]2CC3CCC2CC3)c([O-])c1 ZINC001557324074 938209314 /nfs/dbraw/zinc/20/93/14/938209314.db2.gz JHBNFNLJXPLDKV-RYSNWHEDSA-N -1 1 288.391 3.040 20 0 CGADMM CC1CC(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC001557635988 938211216 /nfs/dbraw/zinc/21/12/16/938211216.db2.gz DUYBBIFQFWJUSL-UHFFFAOYSA-N -1 1 287.281 3.187 20 0 CGADMM CC(C)(C)c1ccc(CNC(=O)c2ccc([O-])c(F)c2)o1 ZINC001557964354 938212896 /nfs/dbraw/zinc/21/28/96/938212896.db2.gz NTMRKQKYTSMEPN-UHFFFAOYSA-N -1 1 291.322 3.352 20 0 CGADMM O=C(NCCC[C@@H]1C=CCC1)c1cccc([O-])c1F ZINC001558198616 938214168 /nfs/dbraw/zinc/21/41/68/938214168.db2.gz VVTXGULWYARNEX-LLVKDONJSA-N -1 1 263.312 3.008 20 0 CGADMM Cc1cc(F)ccc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001558208970 938214197 /nfs/dbraw/zinc/21/41/97/938214197.db2.gz KOABMBSVRTUPNZ-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H]2CC[C@H](C)C2)n1 ZINC001559324154 938225278 /nfs/dbraw/zinc/22/52/78/938225278.db2.gz FBXMRWMCFUZLTE-GXSJLCMTSA-N -1 1 252.383 3.415 20 0 CGADMM Cc1nc(SC[C@@H]2CCC3(CCCC3)O2)[n-]c(=O)c1C ZINC001559393566 938226018 /nfs/dbraw/zinc/22/60/18/938226018.db2.gz SYSFWMWOTSMAKH-LBPRGKRZSA-N -1 1 294.420 3.383 20 0 CGADMM O=C([O-])c1ccccc1CNCc1cc(Cl)ccc1F ZINC000313067153 950781726 /nfs/dbraw/zinc/78/17/26/950781726.db2.gz UWPHHMAUQRIERU-UHFFFAOYSA-N -1 1 293.725 3.467 20 0 CGADMM Cc1oc(CN2CC=C(C(C)(C)C)CC2)cc1C(=O)[O-] ZINC000382536491 971820518 /nfs/dbraw/zinc/82/05/18/971820518.db2.gz PFQUDZKXBLJZNV-UHFFFAOYSA-N -1 1 277.364 3.464 20 0 CGADMM Cc1cc([C@@H](C)NCc2cccc(C(=O)[O-])c2)oc1C ZINC001594289776 957820038 /nfs/dbraw/zinc/82/00/38/957820038.db2.gz CHPQUIQUTYDTAO-LLVKDONJSA-N -1 1 273.332 3.445 20 0 CGADMM CCC[C@](C)(NCc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000086731852 957978186 /nfs/dbraw/zinc/97/81/86/957978186.db2.gz KCHYLWFFRWYRGO-NVBFEUDRSA-N -1 1 265.353 3.136 20 0 CGADMM Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000235527850 960456188 /nfs/dbraw/zinc/45/61/88/960456188.db2.gz WHELHEYDUDYGQY-NSHDSACASA-N -1 1 284.315 3.009 20 0 CGADMM CCC[C@@H]1CCCC[C@H]1NC(=O)c1ncc(C)cc1[O-] ZINC001565580489 960787277 /nfs/dbraw/zinc/78/72/77/960787277.db2.gz YWYFVXPNAXTJJB-CHWSQXEVSA-N -1 1 276.380 3.184 20 0 CGADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc([O-])c2F)C1 ZINC001565660380 960796063 /nfs/dbraw/zinc/79/60/63/960796063.db2.gz VMONSXVUJJEQIQ-NEPJUHHUSA-N -1 1 279.355 3.476 20 0 CGADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2F)C1 ZINC001565660383 960799727 /nfs/dbraw/zinc/79/97/27/960799727.db2.gz VMONSXVUJJEQIQ-VXGBXAGGSA-N -1 1 279.355 3.476 20 0 CGADMM CC(C)CC1(CNC(=O)c2cc(F)ccc2[O-])CCC1 ZINC001566408472 960933157 /nfs/dbraw/zinc/93/31/57/960933157.db2.gz ZGWKRMMYFICDSB-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM CCC[C@](C)(NCc1ccc([C@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000251309189 961246728 /nfs/dbraw/zinc/24/67/28/961246728.db2.gz KCHYLWFFRWYRGO-GMXABZIVSA-N -1 1 265.353 3.136 20 0 CGADMM CC[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)[C@H]1C ZINC001567819138 961435531 /nfs/dbraw/zinc/43/55/31/961435531.db2.gz WJUGOXMTCSKMBV-UWVGGRQHSA-N -1 1 267.756 3.306 20 0 CGADMM C[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)c1cccc(O)c1 ZINC001569013010 961665751 /nfs/dbraw/zinc/66/57/51/961665751.db2.gz YCCXGHBVPAXMCD-MRVPVSSYSA-N -1 1 293.269 3.118 20 0 CGADMM O=C(/C=C/c1ccc(Cl)nc1)Nc1cccc(F)c1[O-] ZINC001587389716 962756102 /nfs/dbraw/zinc/75/61/02/962756102.db2.gz PYRWBWPWQQTZBB-FNORWQNLSA-N -1 1 292.697 3.232 20 0 CGADMM C[C@H]1CCC[C@H](CNC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001583401378 962804021 /nfs/dbraw/zinc/80/40/21/962804021.db2.gz DUSVHZGSZSJUKJ-STQMWFEESA-N -1 1 298.386 3.497 20 0 CGADMM C[C@H](OC1CCCCC1)C(=O)Nc1c([O-])cccc1F ZINC001583971272 962870247 /nfs/dbraw/zinc/87/02/47/962870247.db2.gz AMJFKTLKYKLPDJ-JTQLQIEISA-N -1 1 281.327 3.208 20 0 CGADMM CCc1ccc([C@@H](C)NCc2occc2C(=O)[O-])cc1 ZINC000300150502 962986977 /nfs/dbraw/zinc/98/69/77/962986977.db2.gz MCYNYQMTLFQQEC-LLVKDONJSA-N -1 1 273.332 3.391 20 0 CGADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001585519334 963018826 /nfs/dbraw/zinc/01/88/26/963018826.db2.gz JRBQKKSXOHSVHD-WCQYABFASA-N -1 1 279.355 3.476 20 0 CGADMM CC(C)CC1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001587775340 963218606 /nfs/dbraw/zinc/21/86/06/963218606.db2.gz RHHQUFQDRUDNPZ-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM CC(C)c1[nH]c(CN(C)CCOC(C)(C)C)cc1C(=O)[O-] ZINC001591910259 976315649 /nfs/dbraw/zinc/31/56/49/976315649.db2.gz AEGWHVIFHIQSGD-UHFFFAOYSA-N -1 1 296.411 3.083 20 0 CGADMM CCNc1ccccc1CNCc1cc(C)c(C(=O)[O-])o1 ZINC001596504208 984258020 /nfs/dbraw/zinc/25/80/20/984258020.db2.gz KHXVSWYYZHRUKE-UHFFFAOYSA-N -1 1 288.347 3.008 20 0 CGADMM C[C@@H](CF)N[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001599835139 988730188 /nfs/dbraw/zinc/73/01/88/988730188.db2.gz FAVOKHRMDGMOLE-QUBYGPBYSA-N -1 1 280.126 3.067 20 0 CGADMM CCc1onc(C)c1CN[C@@H](C)c1cc(C(=O)[O-])cs1 ZINC001597813469 989432424 /nfs/dbraw/zinc/43/24/24/989432424.db2.gz AQHZUKVRBSTBPI-VIFPVBQESA-N -1 1 294.376 3.156 20 0 CGADMM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccn1 ZINC001593195581 994148179 /nfs/dbraw/zinc/14/81/79/994148179.db2.gz RFOWYLCLOBCMKI-QMTHXVAHSA-N -1 1 290.750 3.212 20 0 CGADMM C[C@@H](N[C@H](C)c1cc(C(=O)[O-])cs1)c1cncs1 ZINC001593196191 994153097 /nfs/dbraw/zinc/15/30/97/994153097.db2.gz GGUJLKUZHZEZGO-HTQZYQBOSA-N -1 1 282.390 3.315 20 0 CGADMM C[C@@H](NCc1ccc2c(c1)CCC2)c1cc(C(=O)[O-])co1 ZINC001593305081 994758837 /nfs/dbraw/zinc/75/88/37/994758837.db2.gz VHNPXKZLZYXSSX-LLVKDONJSA-N -1 1 285.343 3.317 20 0 CGADMM CCOc1cc(C(=O)N2CC[C@H](CC)C2)cc(Cl)c1[O-] ZINC000273867303 192341109 /nfs/dbraw/zinc/34/11/09/192341109.db2.gz PEXYWKVYRYSKNR-JTQLQIEISA-N -1 1 297.782 3.316 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2nc(C)sc2C)n1 ZINC000436180919 529566610 /nfs/dbraw/zinc/56/66/10/529566610.db2.gz COROQABSJWWPGO-UHFFFAOYSA-N -1 1 281.406 3.110 20 0 CGADMM CCc1ccc(CN(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000436756401 529635331 /nfs/dbraw/zinc/63/53/31/529635331.db2.gz QCRNWJNCAYJNCK-UHFFFAOYSA-N -1 1 287.334 3.366 20 0 CGADMM CCC[C@@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC000044490298 345011297 /nfs/dbraw/zinc/01/12/97/345011297.db2.gz GRTVZKHGIMLAHV-MRVPVSSYSA-N -1 1 286.169 3.073 20 0 CGADMM O=C([O-])CC1CCN(Cc2ccc(Cl)s2)CC1 ZINC000093681103 345884211 /nfs/dbraw/zinc/88/42/11/345884211.db2.gz MOPSGDWOBRWNCB-UHFFFAOYSA-N -1 1 273.785 3.088 20 0 CGADMM O=C([O-])CC1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000093680923 345884279 /nfs/dbraw/zinc/88/42/79/345884279.db2.gz XPUZVPSVMJGUEF-UHFFFAOYSA-N -1 1 285.746 3.166 20 0 CGADMM O=C(NCCCC1CC1)c1ccc(Br)cc1[O-] ZINC000134883151 346084621 /nfs/dbraw/zinc/08/46/21/346084621.db2.gz ZMXLTZPEDPKOHW-UHFFFAOYSA-N -1 1 298.180 3.075 20 0 CGADMM CC1=CCN(c2c(C(=O)[O-])cnc3ccccc32)CC1 ZINC000167739170 346188727 /nfs/dbraw/zinc/18/87/27/346188727.db2.gz MUGSAYLUCLKMGC-UHFFFAOYSA-N -1 1 268.316 3.089 20 0 CGADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000211386618 346286418 /nfs/dbraw/zinc/28/64/18/346286418.db2.gz IFBHSAMIJUGRLU-OAHLLOKOSA-N -1 1 273.307 3.050 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000380243310 346556261 /nfs/dbraw/zinc/55/62/61/346556261.db2.gz MVEKXACVPRGOTA-VWYCJHECSA-N -1 1 283.318 3.068 20 0 CGADMM Cc1ccccc1-c1nc(C(=O)[N-]c2cnoc2)cs1 ZINC000589333875 346794095 /nfs/dbraw/zinc/79/40/95/346794095.db2.gz ZBLZVMJCPMQZST-UHFFFAOYSA-N -1 1 285.328 3.359 20 0 CGADMM C[C@H]1CCC[C@H](N(C)C(=O)c2cc(F)ccc2[O-])C1 ZINC000128623315 187380616 /nfs/dbraw/zinc/38/06/16/187380616.db2.gz QGGNUYOKQFPJRI-JQWIXIFHSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1ccc(C)c2sc(NC(=O)c3cncc([O-])c3)nc21 ZINC000600994705 347851575 /nfs/dbraw/zinc/85/15/75/347851575.db2.gz HHKCFQOOKXHJPW-UHFFFAOYSA-N -1 1 299.355 3.266 20 0 CGADMM CCSc1cc(C(=O)Nc2c([O-])cccc2F)ccn1 ZINC000605440737 348155600 /nfs/dbraw/zinc/15/56/00/348155600.db2.gz ZQUUCSNIMIIWGC-UHFFFAOYSA-N -1 1 292.335 3.291 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)CCCF)c1 ZINC000613304748 348587636 /nfs/dbraw/zinc/58/76/36/348587636.db2.gz ICDXXBIVYUHBOR-UHFFFAOYSA-N -1 1 290.132 3.151 20 0 CGADMM CCS[C@H]1CCC[C@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000613512300 348614259 /nfs/dbraw/zinc/61/42/59/348614259.db2.gz LRBFTCDEMBACIA-RYUDHWBXSA-N -1 1 297.395 3.325 20 0 CGADMM O=C(C[C@@H]1C=CCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613667429 348626685 /nfs/dbraw/zinc/62/66/85/348626685.db2.gz TWTUXNJOGKPDQB-LLVKDONJSA-N -1 1 283.331 3.077 20 0 CGADMM CC(C)=CCC[C@H](C)CC(=O)Nc1c(C)[n-][nH]c1=O ZINC000615229776 348725073 /nfs/dbraw/zinc/72/50/73/348725073.db2.gz WULZXZONMNLWQH-JTQLQIEISA-N -1 1 265.357 3.135 20 0 CGADMM CCC(C)(C)[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000617570625 348973233 /nfs/dbraw/zinc/97/32/33/348973233.db2.gz VVIOQDMLUYJTGK-VIFPVBQESA-N -1 1 253.317 3.086 20 0 CGADMM CCC(CC)CCCN(C)C(=O)c1cncc([O-])c1 ZINC000620197649 349334041 /nfs/dbraw/zinc/33/40/41/349334041.db2.gz USBFVUMTANWLLQ-UHFFFAOYSA-N -1 1 264.369 3.076 20 0 CGADMM C[C@H](CC(=O)Nc1ccc([O-])c(F)c1F)C(F)(F)F ZINC000627680375 350374367 /nfs/dbraw/zinc/37/43/67/350374367.db2.gz GBCLAPSDKZQDNF-RXMQYKEDSA-N -1 1 283.196 3.197 20 0 CGADMM C[C@@H](CC(F)(F)F)C(=O)Nc1cccc(F)c1[O-] ZINC000628959844 350625694 /nfs/dbraw/zinc/62/56/94/350625694.db2.gz DAJZODMLHXPXNQ-LURJTMIESA-N -1 1 265.206 3.058 20 0 CGADMM CO[C@H](CSc1ncc(C)c(=O)[n-]1)c1ccc(F)cc1 ZINC000629180335 350664029 /nfs/dbraw/zinc/66/40/29/350664029.db2.gz MPJAQHRCHVIKQG-GFCCVEGCSA-N -1 1 294.351 3.110 20 0 CGADMM Cc1cnc(SC2CC(Oc3ccccc3)C2)[n-]c1=O ZINC000629179713 350664060 /nfs/dbraw/zinc/66/40/60/350664060.db2.gz FYJDBYJHAQFAGM-UHFFFAOYSA-N -1 1 288.372 3.193 20 0 CGADMM CC(C)c1c[nH]c(SCC(=O)c2ccc([O-])cc2)n1 ZINC000629228785 350671475 /nfs/dbraw/zinc/67/14/75/350671475.db2.gz LRWINJNXAPBUKC-UHFFFAOYSA-N -1 1 276.361 3.214 20 0 CGADMM CC1(C)CC[C@H](C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000629378175 350684477 /nfs/dbraw/zinc/68/44/77/350684477.db2.gz PHLNHLPWOABEJQ-LBPRGKRZSA-N -1 1 299.374 3.343 20 0 CGADMM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632225841 351181489 /nfs/dbraw/zinc/18/14/89/351181489.db2.gz AKHHVBZSWFLEQH-QMMMGPOBSA-N -1 1 293.335 3.074 20 0 CGADMM CC(C)([N-]S(=O)(=O)c1ccc(C(F)F)o1)C1CCC1 ZINC000632411561 351196956 /nfs/dbraw/zinc/19/69/56/351196956.db2.gz DVFHPRUNYMZXLM-UHFFFAOYSA-N -1 1 293.335 3.074 20 0 CGADMM CC(F)(F)CCCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633257196 351268937 /nfs/dbraw/zinc/26/89/37/351268937.db2.gz VVUHFGVJWSZBQP-UHFFFAOYSA-N -1 1 291.725 3.140 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000633314200 351277633 /nfs/dbraw/zinc/27/76/33/351277633.db2.gz RVWACLMMSISHCE-BETUJISGSA-N -1 1 293.794 3.237 20 0 CGADMM CC(C)c1c(Cc2ccccc2)[n-]n(-c2ccncc2)c1=O ZINC000634592024 351528978 /nfs/dbraw/zinc/52/89/78/351528978.db2.gz VLGAPZFNBCTLSV-KRWDZBQOSA-N -1 1 293.370 3.299 20 0 CGADMM Cc1[n-]n(-c2ccc(C)cc2Cl)c(=O)c1C1CC1 ZINC000634593924 351530048 /nfs/dbraw/zinc/53/00/48/351530048.db2.gz DRFCLHWCCJCRIT-ZDUSSCGKSA-N -1 1 262.740 3.397 20 0 CGADMM CCc1[n-]n(-c2ncnc3ccsc32)c(=O)c1C(C)C ZINC000634595219 351531271 /nfs/dbraw/zinc/53/12/71/351531271.db2.gz UHOMCNQPZREWMG-LLVKDONJSA-N -1 1 288.376 3.076 20 0 CGADMM Cc1cccc(Cn2[n-]c3c(c2=O)C[C@H](C)CC3)c1 ZINC000634604344 351538349 /nfs/dbraw/zinc/53/83/49/351538349.db2.gz CKKDJOPBGUYKBQ-OCCSQVGLSA-N -1 1 256.349 3.129 20 0 CGADMM C[C@@H](n1[n-]c2c(c1=O)CCCCCC2)C(F)(F)F ZINC000634630916 351552693 /nfs/dbraw/zinc/55/26/93/351552693.db2.gz HIOFLWDRKINFLH-BDAKNGLRSA-N -1 1 262.275 3.106 20 0 CGADMM CCc1c(C)[n-]n(-c2nc3ccc(OC)cc3cc2C)c1=O ZINC000634615449 351545170 /nfs/dbraw/zinc/54/51/70/351545170.db2.gz HRAFQQSZSCQMMF-AWEZNQCLSA-N -1 1 297.358 3.301 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3cnc4ccccc4c3)c(=O)c2C1 ZINC000634618476 351546235 /nfs/dbraw/zinc/54/62/35/351546235.db2.gz SJRIMPINKLGPEJ-IUODEOHRSA-N -1 1 293.370 3.369 20 0 CGADMM CCCCc1[nH]n(-c2ccc(C(=O)[O-])cc2F)c(=O)c1C ZINC000634619423 351547143 /nfs/dbraw/zinc/54/71/43/351547143.db2.gz YLHTVXOPUOBMFU-VIFPVBQESA-N -1 1 292.310 3.053 20 0 CGADMM CC1(C)C[C@H](n2[n-]c3c(c2=O)CCCCCC3)CCO1 ZINC000634621403 351548364 /nfs/dbraw/zinc/54/83/64/351548364.db2.gz GUYMNLCAHSRITG-OLZOCXBDSA-N -1 1 278.396 3.113 20 0 CGADMM Cc1ccccc1[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000153622573 188093080 /nfs/dbraw/zinc/09/30/80/188093080.db2.gz YJLYOQGBAZZGCD-AWEZNQCLSA-N -1 1 282.343 3.073 20 0 CGADMM Cc1nc(S[C@@H]2CCCC(C)(C)C2=O)[n-]c(=O)c1C ZINC000413005750 235240249 /nfs/dbraw/zinc/24/02/49/235240249.db2.gz ZZSWSIRCDWXJKO-SNVBAGLBSA-N -1 1 280.393 3.039 20 0 CGADMM CCSCc1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC000109891623 138361927 /nfs/dbraw/zinc/36/19/27/138361927.db2.gz GGRRGIBUSQBRHF-UHFFFAOYSA-N -1 1 288.372 3.293 20 0 CGADMM C[C@H](c1ccco1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000123976359 138371850 /nfs/dbraw/zinc/37/18/50/138371850.db2.gz KHVPFLCGCOENDM-SECBINFHSA-N -1 1 279.723 3.472 20 0 CGADMM C[C@H](c1cccs1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000128633594 138394492 /nfs/dbraw/zinc/39/44/92/138394492.db2.gz DBUQNEXMVAGYRN-SECBINFHSA-N -1 1 279.336 3.426 20 0 CGADMM Cc1ccsc1CN[C@@H](C(=O)[O-])c1cccs1 ZINC000426797720 236316016 /nfs/dbraw/zinc/31/60/16/236316016.db2.gz CGQVXNDDMZTQCV-LLVKDONJSA-N -1 1 267.375 3.034 20 0 CGADMM CC[C@H]1CO[C@H](C)CN1Cc1cccc([O-])c1Cl ZINC000294802922 199190120 /nfs/dbraw/zinc/19/01/20/199190120.db2.gz DMICACPBJAIQIT-PWSUYJOCSA-N -1 1 269.772 3.045 20 0 CGADMM C[C@]1(c2nc(-c3ccc([O-])cc3F)no2)C[C@H]2C[C@H]2C1 ZINC000436522099 237118471 /nfs/dbraw/zinc/11/84/71/237118471.db2.gz RRMBXYHJTSHQPD-ZZCKJEPUSA-N -1 1 274.295 3.269 20 0 CGADMM O=C(Nc1cc2c(cn1)CCCC2)c1ccc([O-])cc1F ZINC000436657507 237153877 /nfs/dbraw/zinc/15/38/77/237153877.db2.gz RBAOLLIREJXUNK-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1cc(F)ccc1[O-] ZINC000436541029 237125499 /nfs/dbraw/zinc/12/54/99/237125499.db2.gz VMDKXFOBLCXPQZ-AWEZNQCLSA-N -1 1 289.281 3.088 20 0 CGADMM O=C(NCc1ccc(C2CC2)cc1)c1c([O-])cccc1F ZINC000436556578 237126834 /nfs/dbraw/zinc/12/68/34/237126834.db2.gz SDKBJBYFVHHBKW-UHFFFAOYSA-N -1 1 285.318 3.339 20 0 CGADMM O=C(N[C@H]1CC=CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751908 237175185 /nfs/dbraw/zinc/17/51/85/237175185.db2.gz OKMMWSQLQWIJDM-JTQLQIEISA-N -1 1 285.265 3.250 20 0 CGADMM Cc1cccc(C)c1[C@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436889248 237204326 /nfs/dbraw/zinc/20/43/26/237204326.db2.gz QPZGVZMHNIBOEC-ZDUSSCGKSA-N -1 1 297.354 3.069 20 0 CGADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc2ccccc2c1[O-] ZINC000436903017 237210109 /nfs/dbraw/zinc/21/01/09/237210109.db2.gz SHTYMNJLPGJZPE-LSDHHAIUSA-N -1 1 267.328 3.074 20 0 CGADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000297196575 200111988 /nfs/dbraw/zinc/11/19/88/200111988.db2.gz LEYLEMLMRSWBRH-GJZGRUSLSA-N -1 1 296.370 3.196 20 0 CGADMM CCC[C@@H]1C[C@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301467927 201019050 /nfs/dbraw/zinc/01/90/50/201019050.db2.gz YSEFEEUCAZNBRF-TZMCWYRMSA-N -1 1 298.390 3.462 20 0 CGADMM O=C(NCCC[C@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000183471229 189359497 /nfs/dbraw/zinc/35/94/97/189359497.db2.gz GTTYYONFRUBHOK-GFCCVEGCSA-N -1 1 297.782 3.125 20 0 CGADMM CN(CCOCC1CC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000120260077 370754388 /nfs/dbraw/zinc/75/43/88/370754388.db2.gz KCVPZBCUXNLZRE-UHFFFAOYSA-N -1 1 299.370 3.044 20 0 CGADMM C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C1CCCC1 ZINC000451189258 240241776 /nfs/dbraw/zinc/24/17/76/240241776.db2.gz IYSDQIFVDVJXBV-MRVPVSSYSA-N -1 1 293.841 3.259 20 0 CGADMM Cc1nc(SCC(=O)CCC2CCCC2)[n-]c(=O)c1C ZINC000461407287 242305403 /nfs/dbraw/zinc/30/54/03/242305403.db2.gz KHVPCUWEUNHLDU-UHFFFAOYSA-N -1 1 294.420 3.431 20 0 CGADMM C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335514248 212201026 /nfs/dbraw/zinc/20/10/26/212201026.db2.gz MDIDWSGPKQEIRW-IUCAKERBSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000019840071 368772204 /nfs/dbraw/zinc/77/22/04/368772204.db2.gz XUNQLLDFXKMAEZ-NXEZZACHSA-N -1 1 267.756 3.164 20 0 CGADMM Cc1cc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)no1 ZINC000031224487 368912648 /nfs/dbraw/zinc/91/26/48/368912648.db2.gz QMNLXWYJNVXQCA-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM CCN(C(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000037023109 369052878 /nfs/dbraw/zinc/05/28/78/369052878.db2.gz DZQHLKHLNHPMHE-UHFFFAOYSA-N -1 1 255.317 3.170 20 0 CGADMM C[C@@H]1c2ccsc2CCN1Cc1ccoc1C(=O)[O-] ZINC000042771602 369230732 /nfs/dbraw/zinc/23/07/32/369230732.db2.gz ZLDBINIVMHLIGD-SECBINFHSA-N -1 1 277.345 3.159 20 0 CGADMM Cc1cnc(C(=O)N(C)Cc2ccc(C(C)C)cc2)c([O-])c1 ZINC000494931655 244333023 /nfs/dbraw/zinc/33/30/23/244333023.db2.gz RHMCPJIJQUGSLZ-UHFFFAOYSA-N -1 1 298.386 3.491 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000047367557 369313989 /nfs/dbraw/zinc/31/39/89/369313989.db2.gz NMZJJVQWZHFMGX-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1Cc1nc(=O)c2sccc2[n-]1 ZINC000066531507 369695868 /nfs/dbraw/zinc/69/58/68/369695868.db2.gz QTKNYUPBILOYBZ-AOOOYVTPSA-N -1 1 277.393 3.160 20 0 CGADMM O=c1nc(CN2CCC[C@@H]3CCC[C@@H]32)[n-]c2ccsc21 ZINC000072693526 369834437 /nfs/dbraw/zinc/83/44/37/369834437.db2.gz DTHNDFGBVCXROX-JQWIXIFHSA-N -1 1 289.404 3.161 20 0 CGADMM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cncc([O-])c1 ZINC000109042383 370359421 /nfs/dbraw/zinc/35/94/21/370359421.db2.gz FSCQXWGFKGHGEL-LLVKDONJSA-N -1 1 296.326 3.367 20 0 CGADMM C[C@H](c1ccccc1Cl)N(C)C(=O)c1cncc([O-])c1 ZINC000109041412 370359532 /nfs/dbraw/zinc/35/95/32/370359532.db2.gz NEYHZUMAVFWLIM-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM CC(C)(C)c1ccc(O)c(NC(=O)c2cncc([O-])c2)c1 ZINC000109936452 370367840 /nfs/dbraw/zinc/36/78/40/370367840.db2.gz PAZDLRPKGXESPH-UHFFFAOYSA-N -1 1 286.331 3.043 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1C1CCCC1 ZINC000132884292 371210158 /nfs/dbraw/zinc/21/01/58/371210158.db2.gz DPLXZOOLMOLBSJ-AWEZNQCLSA-N -1 1 277.339 3.326 20 0 CGADMM CCOc1cc(-c2nc3cc[nH]cc-3n2)cc(Cl)c1[O-] ZINC000154623319 371863610 /nfs/dbraw/zinc/86/36/10/371863610.db2.gz OVEBJMLAKDUVIS-UHFFFAOYSA-N -1 1 289.722 3.383 20 0 CGADMM Cc1ccc(O)c(CNc2ccc(C3CCC3)c[nH+]2)n1 ZINC000292942501 372255943 /nfs/dbraw/zinc/25/59/43/372255943.db2.gz HZSPFOXUPXNVMV-UHFFFAOYSA-N -1 1 269.348 3.370 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@@H]1C ZINC000294101752 372581287 /nfs/dbraw/zinc/58/12/87/372581287.db2.gz MSNZZCJDRGCNBD-GHMZBOCLSA-N -1 1 255.317 3.026 20 0 CGADMM O=C(NC[C@H]1CCCCC1(F)F)c1ccc([O-])cc1F ZINC000295535070 372816649 /nfs/dbraw/zinc/81/66/49/372816649.db2.gz WZSMRDQBAPEZBX-SECBINFHSA-N -1 1 287.281 3.087 20 0 CGADMM O=S(=O)([N-]c1ccsc1)c1ccc2c(c1)CCCC2 ZINC000174252205 373276964 /nfs/dbraw/zinc/27/69/64/373276964.db2.gz RDWDPZKYZNOZJQ-UHFFFAOYSA-N -1 1 293.413 3.428 20 0 CGADMM Cc1nsc([N-]c2cnn(-c3ccc(C)cc3C)c2)n1 ZINC000302730849 373944851 /nfs/dbraw/zinc/94/48/51/373944851.db2.gz VVRSHKGCNRTYCA-UHFFFAOYSA-N -1 1 285.376 3.393 20 0 CGADMM CN(C(=O)c1ccccc1[O-])c1ccc(F)c(Cl)c1 ZINC000180211041 373978956 /nfs/dbraw/zinc/97/89/56/373978956.db2.gz JLTVATBFGPRXNJ-UHFFFAOYSA-N -1 1 279.698 3.461 20 0 CGADMM O=C(Nc1cccc(-c2cnco2)c1)c1ccc(O)cc1[O-] ZINC000182143614 374226171 /nfs/dbraw/zinc/22/61/71/374226171.db2.gz NTNOJVWBDQDUCJ-UHFFFAOYSA-N -1 1 296.282 3.005 20 0 CGADMM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc([O-])cc1F ZINC000181928537 374191960 /nfs/dbraw/zinc/19/19/60/374191960.db2.gz SNCVUAUMGYWDGL-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)C2CC2)c1 ZINC000182922283 374343060 /nfs/dbraw/zinc/34/30/60/374343060.db2.gz PYCDLAUZVBSSBN-QMMMGPOBSA-N -1 1 298.180 3.448 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@H](c3ccccc3C)C2)c([O-])c1 ZINC000331210084 374513702 /nfs/dbraw/zinc/51/37/02/374513702.db2.gz QXUYLPQFDIQUJM-AWEZNQCLSA-N -1 1 296.370 3.034 20 0 CGADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456780884 374621877 /nfs/dbraw/zinc/62/18/77/374621877.db2.gz JBOXWKHQVOOZDV-CABZTGNLSA-N -1 1 299.317 3.204 20 0 CGADMM Cc1cc(CNC(=O)c2c(F)ccc([O-])c2F)ccc1F ZINC000334359946 374683042 /nfs/dbraw/zinc/68/30/42/374683042.db2.gz XQSSLJPGOSEJAD-UHFFFAOYSA-N -1 1 295.260 3.048 20 0 CGADMM CC[C@@](C)(NC(=O)c1c([O-])cccc1F)c1nccs1 ZINC000186916253 374938604 /nfs/dbraw/zinc/93/86/04/374938604.db2.gz NUJFWYUDUOVSDH-CQSZACIVSA-N -1 1 294.351 3.043 20 0 CGADMM O=C(Nc1cccc(Cl)c1O)c1cc(F)c([O-])c(F)c1 ZINC000186961682 374945211 /nfs/dbraw/zinc/94/52/11/374945211.db2.gz TURKWXMYRPSXAS-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM C[C@H](C(=O)Nc1ccc([O-])c(F)c1F)C(C)(C)C ZINC000335016902 375072306 /nfs/dbraw/zinc/07/23/06/375072306.db2.gz CLPWZLKRNXVWAM-SSDOTTSWSA-N -1 1 257.280 3.291 20 0 CGADMM Cc1cnc(C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c([O-])c1 ZINC000335064551 375101817 /nfs/dbraw/zinc/10/18/17/375101817.db2.gz USLAGTOBIRQXQC-HNNXBMFYSA-N -1 1 298.342 3.056 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000335423443 375281791 /nfs/dbraw/zinc/28/17/91/375281791.db2.gz KAFGPLNHOJHYEQ-KOLCDFICSA-N -1 1 285.746 3.022 20 0 CGADMM [O-]c1cccc(CN2CCO[C@H](c3ccco3)C2)c1Cl ZINC000335748359 375396921 /nfs/dbraw/zinc/39/69/21/375396921.db2.gz TZDSPBNOLPWIFD-AWEZNQCLSA-N -1 1 293.750 3.212 20 0 CGADMM CC(C)c1[nH]ncc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000189375591 375379327 /nfs/dbraw/zinc/37/93/27/375379327.db2.gz LULJDJQPEGPKDB-UHFFFAOYSA-N -1 1 279.727 3.144 20 0 CGADMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])ccn1C(C)C ZINC000335769421 375416098 /nfs/dbraw/zinc/41/60/98/375416098.db2.gz SCFCOWURGLDCGQ-UHFFFAOYSA-N -1 1 276.311 3.474 20 0 CGADMM COc1cc(C(=O)N2CCC(C)(C)CC2)cc(Cl)c1[O-] ZINC000336171665 375747190 /nfs/dbraw/zinc/74/71/90/375747190.db2.gz WIJQZPXHSQPOCV-UHFFFAOYSA-N -1 1 297.782 3.316 20 0 CGADMM C[C@]12CCN(Cc3ccc(C(=O)[O-])c(F)c3)C[C@H]1C2(F)F ZINC000514799639 375806544 /nfs/dbraw/zinc/80/65/44/375806544.db2.gz UKAYHFQANHRRKZ-OCCSQVGLSA-N -1 1 299.292 3.001 20 0 CGADMM [O-]c1cccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1Cl ZINC000336613975 375875971 /nfs/dbraw/zinc/87/59/71/375875971.db2.gz NXHBGXXKNVRTAK-STQMWFEESA-N -1 1 281.783 3.047 20 0 CGADMM CC(=O)c1csc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000336603075 375867405 /nfs/dbraw/zinc/86/74/05/375867405.db2.gz WHEUVYMJDNKMIQ-UHFFFAOYSA-N -1 1 279.292 3.048 20 0 CGADMM CSC1(CNC(=O)c2ccc(Cl)cc2[O-])CCC1 ZINC000228638371 376444236 /nfs/dbraw/zinc/44/42/36/376444236.db2.gz IHXFVJYBAZOTJP-UHFFFAOYSA-N -1 1 285.796 3.061 20 0 CGADMM CCO[C@@H](CC(=O)Nc1ccc(F)cc1[O-])C1=CCCC1 ZINC000340329778 377004548 /nfs/dbraw/zinc/00/45/48/377004548.db2.gz LDZHNDANTBUTGE-HNNXBMFYSA-N -1 1 293.338 3.375 20 0 CGADMM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000340329868 377004576 /nfs/dbraw/zinc/00/45/76/377004576.db2.gz SKPKJIMWQRLZJC-ZJUUUORDSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(F)cc1[O-] ZINC000340329782 377004961 /nfs/dbraw/zinc/00/49/61/377004961.db2.gz GOUZXBHEADSBAJ-HZMBPMFUSA-N -1 1 281.327 3.065 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(F)cc2[O-])c(C)c1 ZINC000340330563 377007386 /nfs/dbraw/zinc/00/73/86/377007386.db2.gz OVBQRGNLKHFHGK-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM CC[C@@H](c1ccccc1)N(CC)C(=O)c1cncc([O-])c1 ZINC000264719098 190130903 /nfs/dbraw/zinc/13/09/03/190130903.db2.gz FNQYRBHWBLVOBF-INIZCTEOSA-N -1 1 284.359 3.401 20 0 CGADMM CC(C)CCc1nc(CN2CC[C@H](C(=O)[O-])[C@H]2C)cs1 ZINC000563290980 377440393 /nfs/dbraw/zinc/44/03/93/377440393.db2.gz XVHPRDUFCDEJRP-YPMHNXCESA-N -1 1 296.436 3.027 20 0 CGADMM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cc(F)ccc1[O-] ZINC000094106193 249038544 /nfs/dbraw/zinc/03/85/44/249038544.db2.gz NUQWIROSKOUMTN-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM Cc1cc(C)nc(-c2noc(-c3cc(F)ccc3[O-])n2)c1 ZINC000313749312 249092897 /nfs/dbraw/zinc/09/28/97/249092897.db2.gz HTYYTWGNRDTQJK-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM C[C@@H](c1ccco1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000514953161 249195489 /nfs/dbraw/zinc/19/54/89/249195489.db2.gz ZHJUKKVKQSBLRZ-JTQLQIEISA-N -1 1 277.295 3.310 20 0 CGADMM CCN(C(=O)c1ccc([O-])cc1F)[C@@H](C)C(C)C ZINC000515556955 249215679 /nfs/dbraw/zinc/21/56/79/249215679.db2.gz RBIXZZNJYDJBSJ-JTQLQIEISA-N -1 1 253.317 3.038 20 0 CGADMM O=C(NCc1c(Cl)cccc1Cl)c1cncc([O-])c1 ZINC000518443877 249280703 /nfs/dbraw/zinc/28/07/03/249280703.db2.gz QWUXPHKQPYJXTG-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM Cc1cnc(SCCCOCc2ccccc2)[n-]c1=O ZINC000574173984 377630348 /nfs/dbraw/zinc/63/03/48/377630348.db2.gz UEGCQDKYMWPTFR-UHFFFAOYSA-N -1 1 290.388 3.190 20 0 CGADMM CC(C)OCc1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000342572616 377666862 /nfs/dbraw/zinc/66/68/62/377666862.db2.gz NQCYDZLKWNDHHB-UHFFFAOYSA-N -1 1 274.345 3.475 20 0 CGADMM CCC(C)(C)CC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000342652495 377714269 /nfs/dbraw/zinc/71/42/69/377714269.db2.gz AGSMQCNVCABHJI-UHFFFAOYSA-N -1 1 277.393 3.325 20 0 CGADMM C[C@@H](CN(C)Cc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000263075858 377918347 /nfs/dbraw/zinc/91/83/47/377918347.db2.gz GKAXPMKKUSWVDO-LURJTMIESA-N -1 1 282.192 3.207 20 0 CGADMM O=C(N[C@@H]1CCC[C@@H](F)C1)c1cc(Cl)ccc1[O-] ZINC000565002399 322053833 /nfs/dbraw/zinc/05/38/33/322053833.db2.gz AXHAEJGKIWHHKP-NXEZZACHSA-N -1 1 271.719 3.056 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CC2CCC1CC2 ZINC000343886613 378125203 /nfs/dbraw/zinc/12/52/03/378125203.db2.gz JYWRYULVSOGMKI-CBINBANVSA-N -1 1 263.312 3.296 20 0 CGADMM CCC(CC)n1ccc(C(=O)Nc2ccc(F)cc2[O-])n1 ZINC000269306805 378205199 /nfs/dbraw/zinc/20/51/99/378205199.db2.gz AEJPIUHQQSDPMP-UHFFFAOYSA-N -1 1 291.326 3.341 20 0 CGADMM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2[O-])CCO1 ZINC000272636641 378681440 /nfs/dbraw/zinc/68/14/40/378681440.db2.gz CPIMPWUMEPHHLW-JQWIXIFHSA-N -1 1 281.327 3.065 20 0 CGADMM Cc1ccc([C@@H](C)N(C)C(=O)c2ncccc2[O-])c(C)c1 ZINC000275137409 378943406 /nfs/dbraw/zinc/94/34/06/378943406.db2.gz MDGJOQGEZNKRBQ-CYBMUJFWSA-N -1 1 284.359 3.237 20 0 CGADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1c(F)ccc([O-])c1F ZINC000348737503 379035794 /nfs/dbraw/zinc/03/57/94/379035794.db2.gz DIMVPBUHWMKKJC-OUAUKWLOSA-N -1 1 295.329 3.369 20 0 CGADMM CO[C@@H](C)CCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278233927 379323461 /nfs/dbraw/zinc/32/34/61/379323461.db2.gz RWQOABKWMIKTTN-QMMMGPOBSA-N -1 1 282.727 3.063 20 0 CGADMM CCOCCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278150350 379301396 /nfs/dbraw/zinc/30/13/96/379301396.db2.gz MAFTXRGFYBWOIG-UHFFFAOYSA-N -1 1 282.727 3.065 20 0 CGADMM CCCSCc1nc(-c2ccc([O-])cc2F)no1 ZINC000278175351 379307972 /nfs/dbraw/zinc/30/79/72/379307972.db2.gz NVKOFTYHYOTNOE-UHFFFAOYSA-N -1 1 268.313 3.225 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cc(C4CC4)on3)n2)c(F)c1 ZINC000350815206 379589530 /nfs/dbraw/zinc/58/95/30/379589530.db2.gz MXGIECGMUZTCIT-UHFFFAOYSA-N -1 1 287.250 3.114 20 0 CGADMM CC[C@H]1C[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCO1 ZINC000350826476 379591836 /nfs/dbraw/zinc/59/18/36/379591836.db2.gz XACRBNWRGUBPHK-MNOVXSKESA-N -1 1 292.310 3.254 20 0 CGADMM CN(Cc1nc(C(=O)[O-])cs1)C1CCC(C)(C)CC1 ZINC000378670629 379855543 /nfs/dbraw/zinc/85/55/43/379855543.db2.gz LPUIXCMNQHRFBB-UHFFFAOYSA-N -1 1 282.409 3.242 20 0 CGADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCCCO1 ZINC000379300830 379861861 /nfs/dbraw/zinc/86/18/61/379861861.db2.gz PJFYIKKWPQCVHX-WBMJQRKESA-N -1 1 299.370 3.233 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1C2CCC1CC2 ZINC000398888772 379933400 /nfs/dbraw/zinc/93/34/00/379933400.db2.gz YDBYJHXGGATWSS-UHFFFAOYSA-N -1 1 267.328 3.312 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@H]2CC(C)(C)C)c([O-])c1 ZINC000408366909 380007910 /nfs/dbraw/zinc/00/79/10/380007910.db2.gz PLTOLPQYPOWVJM-LBPRGKRZSA-N -1 1 276.380 3.136 20 0 CGADMM CC[C@H](C)[C@H](NC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000408514860 380013878 /nfs/dbraw/zinc/01/38/78/380013878.db2.gz SYYQMNPQVFPJON-CPCISQLKSA-N -1 1 293.260 3.238 20 0 CGADMM CC(C)[C@H]1C[C@@H](NC(=O)c2cncc([O-])c2)c2ccccc21 ZINC000355483266 380682726 /nfs/dbraw/zinc/68/27/26/380682726.db2.gz ZJJKGYSUDOXYLM-IAGOWNOFSA-N -1 1 296.370 3.402 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)c(F)c1 ZINC000356738649 380841948 /nfs/dbraw/zinc/84/19/48/380841948.db2.gz QSAVBSYQPMPJSA-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nccc(C)n1 ZINC000348417812 218612616 /nfs/dbraw/zinc/61/26/16/218612616.db2.gz FOXXRXGYXUWGRI-UHFFFAOYSA-N -1 1 294.314 3.001 20 0 CGADMM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000360002196 381404928 /nfs/dbraw/zinc/40/49/28/381404928.db2.gz AGUKWJWPEVELMW-DGCLKSJQSA-N -1 1 285.347 3.157 20 0 CGADMM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ncccc2[O-])C1 ZINC000286347375 542392498 /nfs/dbraw/zinc/39/24/98/542392498.db2.gz MIJGRUMPRZLDAB-JSGCOSHPSA-N -1 1 282.343 3.011 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])cccc1F)[C@@H](C)c1ccccc1 ZINC000436609586 533274785 /nfs/dbraw/zinc/27/47/85/533274785.db2.gz SGQUDZYCYJJQJV-VXGBXAGGSA-N -1 1 287.334 3.453 20 0 CGADMM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccccc1[O-] ZINC000436662685 533655786 /nfs/dbraw/zinc/65/57/86/533655786.db2.gz GZFPMORTPBEPMD-UHFFFAOYSA-N -1 1 293.326 3.343 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](C)S1 ZINC000070387752 392182826 /nfs/dbraw/zinc/18/28/26/392182826.db2.gz WSGJPHNTHZKSEE-DTORHVGOSA-N -1 1 285.796 3.012 20 0 CGADMM Cc1ccccc1C1=CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000371593073 392538227 /nfs/dbraw/zinc/53/82/27/392538227.db2.gz LIMDYMCXYCGFAY-UHFFFAOYSA-N -1 1 297.329 3.379 20 0 CGADMM CCCCC1CCC(C(=O)Nc2c(C)[n-][nH]c2=O)CC1 ZINC000647816718 392808506 /nfs/dbraw/zinc/80/85/06/392808506.db2.gz RWJQLAHFBBQIJY-UHFFFAOYSA-N -1 1 279.384 3.359 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC=C(c2ccccc2)C1 ZINC000375983716 392849821 /nfs/dbraw/zinc/84/98/21/392849821.db2.gz BHARVAUYPCUHPK-UHFFFAOYSA-N -1 1 297.329 3.461 20 0 CGADMM O=C(Nc1ccc2cc[nH]c2c1)c1ccccc1[O-] ZINC000194828903 392940030 /nfs/dbraw/zinc/94/00/30/392940030.db2.gz NYHDMEROFFWHLJ-UHFFFAOYSA-N -1 1 252.273 3.126 20 0 CGADMM Cc1cc(CN=c2[n-]ncn2Cc2ccccc2)c(C)s1 ZINC000547960991 393162799 /nfs/dbraw/zinc/16/27/99/393162799.db2.gz HZDLPUHURKGAKD-UHFFFAOYSA-N -1 1 298.415 3.039 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000548299214 393190372 /nfs/dbraw/zinc/19/03/72/393190372.db2.gz OFVCEAOUQYPWIO-BFHYXJOUSA-N -1 1 288.391 3.136 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)[C@@H]1CC1(C)C ZINC000416276235 393289119 /nfs/dbraw/zinc/28/91/19/393289119.db2.gz MFQHRYYBNSVDJZ-WCQYABFASA-N -1 1 265.328 3.086 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc2c(s1)CCCCC2 ZINC000646409576 393280379 /nfs/dbraw/zinc/28/03/79/393280379.db2.gz MRHYVTBQJGUSRM-UHFFFAOYSA-N -1 1 291.376 3.006 20 0 CGADMM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2cncc([O-])c2)C1 ZINC000649066558 393342187 /nfs/dbraw/zinc/34/21/87/393342187.db2.gz JIUMJQHUSHPTIT-DOMZBBRYSA-N -1 1 288.391 3.076 20 0 CGADMM CC1=CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000281866830 393361053 /nfs/dbraw/zinc/36/10/53/393361053.db2.gz UJYRUANPRWUQDR-UHFFFAOYSA-N -1 1 285.265 3.203 20 0 CGADMM CCC[C@@H](C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000649577201 393496604 /nfs/dbraw/zinc/49/66/04/393496604.db2.gz ULIGXBAAVMAWKE-SECBINFHSA-N -1 1 285.340 3.039 20 0 CGADMM Cc1ccc(-c2nc(CN(C)CCCC(=O)[O-])cs2)o1 ZINC000430658718 393584021 /nfs/dbraw/zinc/58/40/21/393584021.db2.gz JXSZVGDQNIVINU-UHFFFAOYSA-N -1 1 294.376 3.008 20 0 CGADMM Cc1nc(-c2ccc(N[C@@H]3CC3(C)C)nc2)[n-]c(=O)c1C ZINC000360963532 393625335 /nfs/dbraw/zinc/62/53/35/393625335.db2.gz DLRKEUFSSIBVCS-GFCCVEGCSA-N -1 1 284.363 3.071 20 0 CGADMM COc1cc(-c2nc(C(C)(C)C)no2)cc(Cl)c1[O-] ZINC000443112932 393744759 /nfs/dbraw/zinc/74/47/59/393744759.db2.gz XQNYTLMMKSTKAW-UHFFFAOYSA-N -1 1 282.727 3.402 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccc(F)cc3)n2)c(F)c1 ZINC000445455655 393796738 /nfs/dbraw/zinc/79/67/38/393796738.db2.gz QDHBJROTMWIOMY-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CCCC1(c2nc(-c3ccc([O-])c(F)c3)no2)CC1 ZINC000445479279 393798968 /nfs/dbraw/zinc/79/89/68/393798968.db2.gz BBEQKXJECDDTIZ-UHFFFAOYSA-N -1 1 262.284 3.413 20 0 CGADMM CC[C@]1(C)C[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483852 393799006 /nfs/dbraw/zinc/79/90/06/393799006.db2.gz VPQAIUAIDHVQAP-LKFCYVNXSA-N -1 1 262.284 3.485 20 0 CGADMM O=C(NCCC1CC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000457218927 394331594 /nfs/dbraw/zinc/33/15/94/394331594.db2.gz TVMGMGRMGHNPFL-UHFFFAOYSA-N -1 1 289.709 3.211 20 0 CGADMM O=C([O-])C[C@@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000668158054 542977363 /nfs/dbraw/zinc/97/73/63/542977363.db2.gz SOXWVBIIRBLFQM-NSHDSACASA-N -1 1 288.322 3.065 20 0 CGADMM Oc1cccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1Cl ZINC000668299223 543003324 /nfs/dbraw/zinc/00/33/24/543003324.db2.gz YBRYLMVZPATGFP-JQWIXIFHSA-N -1 1 251.757 3.420 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])[C@@H]1C ZINC000669137608 543089218 /nfs/dbraw/zinc/08/92/18/543089218.db2.gz AUNZSJHRBNQHHQ-VXGBXAGGSA-N -1 1 284.359 3.201 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cn1 ZINC000671660821 543175571 /nfs/dbraw/zinc/17/55/71/543175571.db2.gz DFHTWKSTBNJNHT-UHFFFAOYSA-N -1 1 288.372 3.068 20 0 CGADMM CC(C)C1CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000677127499 543434367 /nfs/dbraw/zinc/43/43/67/543434367.db2.gz JVSYUTYLIMWPLV-UHFFFAOYSA-N -1 1 269.344 3.273 20 0 CGADMM O=c1nc([C@H]2CCCO2)[n-]c2sc(C(F)(F)F)cc21 ZINC000333162724 296594333 /nfs/dbraw/zinc/59/43/33/296594333.db2.gz MCQBMPMJYQWSLM-ZCFIWIBFSA-N -1 1 290.266 3.267 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N(C1CC1)C1CCCCC1 ZINC000678309782 543513802 /nfs/dbraw/zinc/51/38/02/543513802.db2.gz SRHRWMJOBFOLJH-UHFFFAOYSA-N -1 1 277.339 3.469 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H]1c1cccc(F)c1 ZINC000678314162 543514213 /nfs/dbraw/zinc/51/42/13/543514213.db2.gz RXZMECXLCJBDCA-AWEZNQCLSA-N -1 1 289.281 3.258 20 0 CGADMM O=C(NCc1ccsc1)c1ccc(Cl)cc1[O-] ZINC000057411719 286949630 /nfs/dbraw/zinc/94/96/30/286949630.db2.gz UNXJAYMUENYRLM-UHFFFAOYSA-N -1 1 267.737 3.037 20 0 CGADMM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cc(F)ccc1[O-] ZINC000080036123 287062610 /nfs/dbraw/zinc/06/26/10/287062610.db2.gz FNKLRBQXMSYUKU-UHFFFAOYSA-N -1 1 299.301 3.303 20 0 CGADMM O=C(Nc1cccc(-c2cnco2)c1)c1ccccc1[O-] ZINC000067156078 165038071 /nfs/dbraw/zinc/03/80/71/165038071.db2.gz WFBBNKRYWZZBDX-UHFFFAOYSA-N -1 1 280.283 3.300 20 0 CGADMM Cn1cc(Cl)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082192752 165167349 /nfs/dbraw/zinc/16/73/49/165167349.db2.gz AVOLYEFEADHXFJ-UHFFFAOYSA-N -1 1 285.130 3.290 20 0 CGADMM O=C(CCOc1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000082192964 165169225 /nfs/dbraw/zinc/16/92/25/165169225.db2.gz CZSWQMRGMDWXDD-UHFFFAOYSA-N -1 1 291.734 3.453 20 0 CGADMM Cc1ncsc1CN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000111617138 287135311 /nfs/dbraw/zinc/13/53/11/287135311.db2.gz FYJVSZMEQNBDPA-UHFFFAOYSA-N -1 1 296.779 3.083 20 0 CGADMM CC[C@@H](C)CN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000037173896 173008033 /nfs/dbraw/zinc/00/80/33/173008033.db2.gz UZICVPDDDPQRPF-SECBINFHSA-N -1 1 255.745 3.164 20 0 CGADMM CCN(CCC(=O)[O-])Cc1csc(-c2ccccc2)n1 ZINC000038024625 174007566 /nfs/dbraw/zinc/00/75/66/174007566.db2.gz DGECPZGMMVKAEM-UHFFFAOYSA-N -1 1 290.388 3.107 20 0 CGADMM CC(C)O[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000404545530 416554316 /nfs/dbraw/zinc/55/43/16/416554316.db2.gz SUVVUVRTRXHLIP-LBPRGKRZSA-N -1 1 297.782 3.075 20 0 CGADMM CC(=O)c1ccc(C(=O)Nc2c([O-])cccc2F)c(F)c1 ZINC000679109635 543591938 /nfs/dbraw/zinc/59/19/38/543591938.db2.gz LHFIENLWRBYQKX-UHFFFAOYSA-N -1 1 291.253 3.125 20 0 CGADMM CCOc1cc(C(=O)NC[C@H](C)C2CC2)cc(Cl)c1[O-] ZINC000680815704 543736515 /nfs/dbraw/zinc/73/65/15/543736515.db2.gz AMNYEPZNZXVFKR-VIFPVBQESA-N -1 1 297.782 3.220 20 0 CGADMM CCN(C(=O)c1ccc([O-])c(F)c1)c1cccc(OC)c1 ZINC000681017997 543757563 /nfs/dbraw/zinc/75/75/63/543757563.db2.gz HVIQFTIEGGQFQP-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM CCOc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1F ZINC000681022255 543758317 /nfs/dbraw/zinc/75/83/17/543758317.db2.gz YRJWHYLPJFRYTI-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681042677 543759609 /nfs/dbraw/zinc/75/96/09/543759609.db2.gz RTPQVHMHSLUCDC-JSGCOSHPSA-N -1 1 279.355 3.476 20 0 CGADMM CCOc1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1C ZINC000681039305 543759846 /nfs/dbraw/zinc/75/98/46/543759846.db2.gz KSFWTJFJLUTKHJ-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000681049174 543760784 /nfs/dbraw/zinc/76/07/84/543760784.db2.gz CBXCUYOOSAWDER-BZNIZROVSA-N -1 1 285.318 3.365 20 0 CGADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681050305 543761131 /nfs/dbraw/zinc/76/11/31/543761131.db2.gz MATPHSOZQUINST-NXEZZACHSA-N -1 1 253.317 3.086 20 0 CGADMM Cc1cnc(C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c([O-])c1 ZINC000681716200 543804846 /nfs/dbraw/zinc/80/48/46/543804846.db2.gz MZABCGKCJGTYGH-INIZCTEOSA-N -1 1 296.370 3.319 20 0 CGADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000682813126 543870906 /nfs/dbraw/zinc/87/09/06/543870906.db2.gz DNNYJGQOZYRHRB-VWYCJHECSA-N -1 1 265.328 3.038 20 0 CGADMM C[C@H](c1ccco1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000683592226 543927960 /nfs/dbraw/zinc/92/79/60/543927960.db2.gz UIQOPICZOZJVBJ-MRVPVSSYSA-N -1 1 274.251 3.326 20 0 CGADMM O=C(Nc1ccc(F)c(Cl)c1)c1ccc(O)cc1[O-] ZINC000192657107 227259955 /nfs/dbraw/zinc/25/99/55/227259955.db2.gz MAHRECLQKNTTOS-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM C[C@H](c1ccco1)N(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000652389244 418958938 /nfs/dbraw/zinc/95/89/38/418958938.db2.gz HLYDKSPUHZWRNS-SNVBAGLBSA-N -1 1 277.295 3.310 20 0 CGADMM CCN(Cc1c(Br)cccc1C(=O)[O-])C1CC1 ZINC000652396260 418961669 /nfs/dbraw/zinc/96/16/69/418961669.db2.gz IJHGRTVANHTPCW-UHFFFAOYSA-N -1 1 298.180 3.132 20 0 CGADMM CCO[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000652395041 418961726 /nfs/dbraw/zinc/96/17/26/418961726.db2.gz XUYFFFLOMXHZTC-GFCCVEGCSA-N -1 1 297.782 3.039 20 0 CGADMM Cc1oc(CN2CCCc3sccc3C2)cc1C(=O)[O-] ZINC000652411002 418964505 /nfs/dbraw/zinc/96/45/05/418964505.db2.gz RBLXYQRTCZFQCY-UHFFFAOYSA-N -1 1 291.372 3.296 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)cc1F ZINC000664849372 419013852 /nfs/dbraw/zinc/01/38/52/419013852.db2.gz IDYBDPURYFQKJI-IEBDPFPHSA-N -1 1 274.295 3.485 20 0 CGADMM O=C([O-])C1(CN[C@@H](CCc2ccccc2)C(F)F)CCC1 ZINC000665354316 419117602 /nfs/dbraw/zinc/11/76/02/419117602.db2.gz GSIDSXSVGGXKHG-ZDUSSCGKSA-N -1 1 297.345 3.097 20 0 CGADMM CCC[C@H](NC(=O)c1ccc([O-])c(F)c1)C1CCC1 ZINC000655453047 419050838 /nfs/dbraw/zinc/05/08/38/419050838.db2.gz ZWMONBQUQCTNPW-ZDUSSCGKSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1oc(CN2CCC(c3ccco3)CC2)cc1C(=O)[O-] ZINC000656758285 419211295 /nfs/dbraw/zinc/21/12/95/419211295.db2.gz XAADABQDUAZYRM-UHFFFAOYSA-N -1 1 289.331 3.259 20 0 CGADMM [O-]c1cccc(CNCc2nnc(C3CC3)s2)c1Cl ZINC000666471289 419221179 /nfs/dbraw/zinc/22/11/79/419221179.db2.gz ACSCAERRDIUDRJ-UHFFFAOYSA-N -1 1 295.795 3.064 20 0 CGADMM C[C@@H]1CCC(C)(C)N1C(=O)c1cc(Cl)ccc1[O-] ZINC000662046142 419329199 /nfs/dbraw/zinc/32/91/99/419329199.db2.gz OKGRFMCDHIERRR-SECBINFHSA-N -1 1 267.756 3.449 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccnc2cc(F)ccc21 ZINC000662894885 419502214 /nfs/dbraw/zinc/50/22/14/419502214.db2.gz XEHMERUSWJNOAZ-WDEREUQCSA-N -1 1 288.322 3.063 20 0 CGADMM O=C(NC1CCC(F)(F)CC1)c1cc(Cl)ccc1[O-] ZINC000390472341 262196430 /nfs/dbraw/zinc/19/64/30/262196430.db2.gz HLCRHUMZMTUBQQ-UHFFFAOYSA-N -1 1 289.709 3.353 20 0 CGADMM C[C@H](CC(F)(F)F)NC(=O)c1ccc(Cl)cc1[O-] ZINC000231754238 287644240 /nfs/dbraw/zinc/64/42/40/287644240.db2.gz ZTVUMUNPVUODCC-ZCFIWIBFSA-N -1 1 281.661 3.116 20 0 CGADMM CC1(C)C[C@@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000044365501 270035464 /nfs/dbraw/zinc/03/54/64/270035464.db2.gz KAOYIQISYLHYAG-AWEZNQCLSA-N -1 1 255.317 3.074 20 0 CGADMM O=C(NC[C@@H]1CC=CCC1)c1ccc(Cl)cc1[O-] ZINC000044569532 270037217 /nfs/dbraw/zinc/03/72/17/270037217.db2.gz HNHLYFYNSVHQDD-SNVBAGLBSA-N -1 1 265.740 3.132 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])c(C)c1 ZINC000532266734 270214689 /nfs/dbraw/zinc/21/46/89/270214689.db2.gz XHJHTQIYLJJQPB-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@]12CCc1ccccc12 ZINC000532267358 270214723 /nfs/dbraw/zinc/21/47/23/270214723.db2.gz ISQWALBXWICQPC-KSSFIOAISA-N -1 1 297.329 3.374 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])[C@@H]2CCCC[C@@H]21 ZINC000180530119 288018885 /nfs/dbraw/zinc/01/88/85/288018885.db2.gz XQYCWRWMZVWPDO-MPKXVKKWSA-N -1 1 277.339 3.182 20 0 CGADMM Cc1noc(C)c1C(C)(C)C(=O)Nc1cccc(F)c1[O-] ZINC000530004596 288281075 /nfs/dbraw/zinc/28/10/75/288281075.db2.gz DXWRIMXPNXJXOW-UHFFFAOYSA-N -1 1 292.310 3.052 20 0 CGADMM Cc1cc(C(=O)Nc2cccc(F)c2[O-])nn1C(C)(C)C ZINC000530005990 288281545 /nfs/dbraw/zinc/28/15/45/288281545.db2.gz LMMZCAHSCKTQLP-UHFFFAOYSA-N -1 1 291.326 3.044 20 0 CGADMM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(F)c1[O-] ZINC000530007139 288282430 /nfs/dbraw/zinc/28/24/30/288282430.db2.gz YHGPTSXFRNWKJI-FZMZJTMJSA-N -1 1 295.354 3.455 20 0 CGADMM Cc1cc([C@@H](C)N2CCC(F)(F)CC2)oc1C(=O)[O-] ZINC000530173640 288293177 /nfs/dbraw/zinc/29/31/77/288293177.db2.gz XSPSESJKOMWVGL-SECBINFHSA-N -1 1 273.279 3.078 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000542815248 288773246 /nfs/dbraw/zinc/77/32/46/288773246.db2.gz PAZAZSZJCWVYDU-QWGSZXSUSA-N -1 1 294.354 3.105 20 0 CGADMM CC(C)(CNC(=O)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000554719235 289303198 /nfs/dbraw/zinc/30/31/98/289303198.db2.gz XTPIZBLYMCMAIC-UHFFFAOYSA-N -1 1 295.688 3.364 20 0 CGADMM Cc1nc2c(Cl)cccc2c(N2CC(C(=O)[O-])C2)c1C ZINC000263558396 293399131 /nfs/dbraw/zinc/39/91/31/293399131.db2.gz PQCWHVPMEODWNB-UHFFFAOYSA-N -1 1 290.750 3.026 20 0 CGADMM Cc1noc([C@@H]2CCCN2Cc2cccc([O-])c2Cl)n1 ZINC000293894818 293962014 /nfs/dbraw/zinc/96/20/14/293962014.db2.gz KQQDKZWMFNQHHZ-NSHDSACASA-N -1 1 293.754 3.074 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H]2CCC(C)(C)C[C@H]2C)s[n-]1 ZINC000337868277 294344324 /nfs/dbraw/zinc/34/43/24/294344324.db2.gz LZOJXSHPOIZDRY-MXWKQRLJSA-N -1 1 283.441 3.294 20 0 CGADMM CCN(Cc1oncc1C(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000564803074 322043899 /nfs/dbraw/zinc/04/38/99/322043899.db2.gz NPEYHLOBLBCGIG-SNVBAGLBSA-N -1 1 292.310 3.095 20 0 CGADMM CCc1nc(SC2CCCCC2)[n-]c(=O)c1C ZINC000565243671 322069835 /nfs/dbraw/zinc/06/98/35/322069835.db2.gz ZXIRBKPMTCQSLP-UHFFFAOYSA-N -1 1 252.383 3.478 20 0 CGADMM C[C@H](CN(C)Cc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000565956032 322098244 /nfs/dbraw/zinc/09/82/44/322098244.db2.gz BNLJXSGPGOUMLL-LLVKDONJSA-N -1 1 290.388 3.077 20 0 CGADMM C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000568060000 322190394 /nfs/dbraw/zinc/19/03/94/322190394.db2.gz NSPFLIPUPUFYHH-NSHDSACASA-N -1 1 288.322 3.112 20 0 CGADMM CCCCc1nc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cs1 ZINC000570395214 322272424 /nfs/dbraw/zinc/27/24/24/322272424.db2.gz HHIXPBHPTWPFQN-NEPJUHHUSA-N -1 1 296.436 3.171 20 0 CGADMM CC(C)(C)c1cnc(CN2CCC[C@@H](CC(=O)[O-])C2)s1 ZINC000570662948 322279171 /nfs/dbraw/zinc/27/91/71/322279171.db2.gz NEVVRBNILZSHEJ-NSHDSACASA-N -1 1 296.436 3.127 20 0 CGADMM CN(Cc1csc(C(=O)[O-])c1)Cc1cccs1 ZINC000570689887 322279955 /nfs/dbraw/zinc/27/99/55/322279955.db2.gz YVSUOVXGVJRHFT-UHFFFAOYSA-N -1 1 267.375 3.140 20 0 CGADMM C[C@@H](CN(C)Cc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000570730142 322280807 /nfs/dbraw/zinc/28/08/07/322280807.db2.gz PTUADXTVGRIEPO-VIFPVBQESA-N -1 1 296.417 3.024 20 0 CGADMM Cc1cccc(C)c1CSc1ncc(C)c(=O)[n-]1 ZINC000574927538 322463938 /nfs/dbraw/zinc/46/39/38/322463938.db2.gz MQPVKEKCRDBMCI-UHFFFAOYSA-N -1 1 260.362 3.400 20 0 CGADMM COc1cccc([C@@H](C)NC(=O)c2c([O-])cccc2F)c1 ZINC000436948946 533708331 /nfs/dbraw/zinc/70/83/31/533708331.db2.gz QIUAYIWBFDGQQB-SNVBAGLBSA-N -1 1 289.306 3.031 20 0 CGADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)C[C@H](C)S1 ZINC000584118814 327043023 /nfs/dbraw/zinc/04/30/23/327043023.db2.gz MQYXOYUJVWZCAI-AOOOYVTPSA-N -1 1 299.823 3.364 20 0 CGADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCc2ccccc2C1 ZINC000011860785 329301441 /nfs/dbraw/zinc/30/14/41/329301441.db2.gz WATHMZVUOSMLGF-NSHDSACASA-N -1 1 271.316 3.097 20 0 CGADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(C2CCCC2)n1 ZINC000580456724 330140995 /nfs/dbraw/zinc/14/09/95/330140995.db2.gz OECMNLZDDXHJTN-MFKMUULPSA-N -1 1 294.420 3.096 20 0 CGADMM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cncc([O-])c1 ZINC000174529779 335158456 /nfs/dbraw/zinc/15/84/56/335158456.db2.gz CFJGYPGZSAPZDA-INIZCTEOSA-N -1 1 298.386 3.189 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCCC2(C1)CCCCCC2 ZINC000174731723 335165221 /nfs/dbraw/zinc/16/52/21/335165221.db2.gz UQXHRUJPKLHKRU-UHFFFAOYSA-N -1 1 288.391 3.364 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2cccc(F)c2)o1 ZINC000576166261 335163657 /nfs/dbraw/zinc/16/36/57/335163657.db2.gz LZWJECQDADQDMI-CQSZACIVSA-N -1 1 289.306 3.454 20 0 CGADMM O=C([O-])CC[C@H]1CCCCN1Cc1csc(C2CC2)n1 ZINC000424251724 534495426 /nfs/dbraw/zinc/49/54/26/534495426.db2.gz CQAHOLCFGBSIPX-CYBMUJFWSA-N -1 1 294.420 3.240 20 0 CGADMM CC(C)(C)C1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000185530248 534558681 /nfs/dbraw/zinc/55/86/81/534558681.db2.gz PDWCDHPMCXFHDB-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccc(Cl)cc1[O-] ZINC000436597672 534782522 /nfs/dbraw/zinc/78/25/22/534782522.db2.gz QTNXUPVWYIOXJC-NUEKZKHPSA-N -1 1 299.757 3.114 20 0 CGADMM O=C(N[C@H](c1ccccc1)C(F)F)c1c([O-])cccc1F ZINC000436888448 534795611 /nfs/dbraw/zinc/79/56/11/534795611.db2.gz SDTVTLKDJSEASR-CYBMUJFWSA-N -1 1 295.260 3.268 20 0 CGADMM Cc1csc(CN[C@H](CCC(=O)[O-])c2ccccc2)n1 ZINC000417604037 534819439 /nfs/dbraw/zinc/81/94/39/534819439.db2.gz SYLPUYAKTWMKTJ-CYBMUJFWSA-N -1 1 290.388 3.147 20 0 CGADMM O=S(=O)([N-]c1cccc2ncccc12)c1ccccc1 ZINC000006416349 534872257 /nfs/dbraw/zinc/87/22/57/534872257.db2.gz FGOLDKVXKOQLCZ-UHFFFAOYSA-N -1 1 284.340 3.036 20 0 CGADMM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)C(C)(F)F ZINC000293061521 526169635 /nfs/dbraw/zinc/16/96/35/526169635.db2.gz BGXHFMCIFUNKPI-ZCFIWIBFSA-N -1 1 272.226 3.340 20 0 CGADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436919660 526652668 /nfs/dbraw/zinc/65/26/68/526652668.db2.gz MJKCAGRUTIIGQO-LLVKDONJSA-N -1 1 279.355 3.430 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CC=CCC1 ZINC000082192989 527235964 /nfs/dbraw/zinc/23/59/64/527235964.db2.gz FPYMOIKBZLXOFN-VIFPVBQESA-N -1 1 251.713 3.340 20 0 CGADMM C/C(=C/c1ccccc1)CN(C)C(=O)c1ncc(C)cc1[O-] ZINC000427538547 527505108 /nfs/dbraw/zinc/50/51/08/527505108.db2.gz CDFWROPKUCBJJZ-ZROIWOOFSA-N -1 1 296.370 3.271 20 0 CGADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1ncc(C)cc1[O-] ZINC000427538545 527533384 /nfs/dbraw/zinc/53/33/84/527533384.db2.gz CDFWROPKUCBJJZ-NTEUORMPSA-N -1 1 296.370 3.271 20 0 CGADMM CCOc1ccc(N(CC)C(=O)c2ccccc2[O-])cc1 ZINC000436762628 528479745 /nfs/dbraw/zinc/47/97/45/528479745.db2.gz SESGEJCKARUWHB-UHFFFAOYSA-N -1 1 285.343 3.458 20 0 CGADMM CCN(C(=O)c1cc(F)ccc1[O-])c1ccccc1OC ZINC000436540919 529073486 /nfs/dbraw/zinc/07/34/86/529073486.db2.gz RJNOBJXXSAIXTQ-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)CC(C)(C)C1 ZINC000436809232 529105276 /nfs/dbraw/zinc/10/52/76/529105276.db2.gz RYPWPGMFJMNNHA-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(F)ccc2[O-])C1 ZINC000162870050 529221312 /nfs/dbraw/zinc/22/13/12/529221312.db2.gz OUZRHXQAZZBDOE-NWDGAFQWSA-N -1 1 297.395 3.278 20 0 CGADMM CC[C@H](C)c1cc(C(=O)Nc2ccc(F)cc2[O-])on1 ZINC000436815803 529273698 /nfs/dbraw/zinc/27/36/98/529273698.db2.gz YHJFTWBRGXOZOS-QMMMGPOBSA-N -1 1 278.283 3.285 20 0 CGADMM CC[C@H](C)c1ncc(NC(=O)c2cc(F)ccc2[O-])cn1 ZINC000436918771 529281186 /nfs/dbraw/zinc/28/11/86/529281186.db2.gz IYPGTCHXFARTOD-VIFPVBQESA-N -1 1 289.310 3.087 20 0 CGADMM O=C(OCc1cccnc1Cl)c1c([O-])cc(F)cc1F ZINC000729707885 571930140 /nfs/dbraw/zinc/93/01/40/571930140.db2.gz BDDHAPOZHPUTTR-UHFFFAOYSA-N -1 1 299.660 3.076 20 0 CGADMM O=C(OC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000730358495 572345285 /nfs/dbraw/zinc/34/52/85/572345285.db2.gz CNHUPBGKEUJQDV-ZETCQYMHSA-N -1 1 291.130 3.035 20 0 CGADMM O=C(OCc1ccno1)c1ccc(Cl)c(Cl)c1[O-] ZINC000730359366 572346109 /nfs/dbraw/zinc/34/61/09/572346109.db2.gz KCGSODMTZXOSLC-UHFFFAOYSA-N -1 1 288.086 3.044 20 0 CGADMM CC(C)CCSc1cccc(F)c1-c1nn[n-]n1 ZINC000820081712 599089852 /nfs/dbraw/zinc/08/98/52/599089852.db2.gz RWVMKAIWLZEIPQ-UHFFFAOYSA-N -1 1 266.345 3.144 20 0 CGADMM FC(F)c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000822736545 607316514 /nfs/dbraw/zinc/31/65/14/607316514.db2.gz GFICKIAARVYUJE-UHFFFAOYSA-N -1 1 291.261 3.009 20 0 CGADMM FC(F)c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000822736545 607316515 /nfs/dbraw/zinc/31/65/15/607316515.db2.gz GFICKIAARVYUJE-UHFFFAOYSA-N -1 1 291.261 3.009 20 0 CGADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(C)cc1 ZINC000820926645 599464808 /nfs/dbraw/zinc/46/48/08/599464808.db2.gz URFORDDBUFKKAL-CYBMUJFWSA-N -1 1 294.362 3.133 20 0 CGADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(C)cc1 ZINC000820926645 599464809 /nfs/dbraw/zinc/46/48/09/599464809.db2.gz URFORDDBUFKKAL-CYBMUJFWSA-N -1 1 294.362 3.133 20 0 CGADMM Cc1ccccc1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000156910544 600084371 /nfs/dbraw/zinc/08/43/71/600084371.db2.gz VFIPXZZUVLIQTP-UHFFFAOYSA-N -1 1 267.328 3.209 20 0 CGADMM CCCC[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000829295325 600833462 /nfs/dbraw/zinc/83/34/62/600833462.db2.gz BQMZSOISSCHIPW-LLVKDONJSA-N -1 1 291.376 3.207 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2snnc2C)n1 ZINC000901381956 620869462 /nfs/dbraw/zinc/86/94/62/620869462.db2.gz SYPKBYRYMHRWMO-MRVPVSSYSA-N -1 1 296.421 3.148 20 0 CGADMM C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000113395103 601506195 /nfs/dbraw/zinc/50/61/95/601506195.db2.gz QFWDYLCJZNFJCG-SCZZXKLOSA-N -1 1 288.174 3.146 20 0 CGADMM O=C([O-])c1sccc1CN1CCC[C@H]1c1ccccn1 ZINC000833348869 601829419 /nfs/dbraw/zinc/82/94/19/601829419.db2.gz SQFVOFBOQSEZBX-ZDUSSCGKSA-N -1 1 288.372 3.178 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(F)cc3Cl)c(=O)c21 ZINC000899362590 620670151 /nfs/dbraw/zinc/67/01/51/620670151.db2.gz XXQNRFVPNNVENN-JVXZTZIISA-N -1 1 266.703 3.228 20 0 CGADMM CC(C)(C)CCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833429710 605058575 /nfs/dbraw/zinc/05/85/75/605058575.db2.gz UXSRZMVQJIJHMD-UHFFFAOYSA-N -1 1 289.335 3.026 20 0 CGADMM C/C(=C/CN[C@H](C)c1ccccc1Br)C(=O)[O-] ZINC000235197902 605061515 /nfs/dbraw/zinc/06/15/15/605061515.db2.gz FGRUKLPPJKPDSG-UJICNMFASA-N -1 1 298.180 3.131 20 0 CGADMM Cc1cccc(C2=CCN(Cc3ccc(C(=O)[O-])[nH]3)CC2)c1 ZINC000833752629 605117553 /nfs/dbraw/zinc/11/75/53/605117553.db2.gz OSDRUXUVXZZYCQ-UHFFFAOYSA-N -1 1 296.370 3.311 20 0 CGADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1occc1C(=O)[O-] ZINC000833606806 605704109 /nfs/dbraw/zinc/70/41/09/605704109.db2.gz WGFIMAFNUDVRMJ-BDAKNGLRSA-N -1 1 291.269 3.141 20 0 CGADMM C[C@@H](c1ccc(F)cc1F)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833833622 605894093 /nfs/dbraw/zinc/89/40/93/605894093.db2.gz YVESNSYIULPKJJ-VWYCJHECSA-N -1 1 298.333 3.004 20 0 CGADMM Cc1cc(Oc2cccc(F)c2-c2nnn[n-]2)ccc1F ZINC000822211734 607128784 /nfs/dbraw/zinc/12/87/84/607128784.db2.gz MMNZKZPMNSDFFN-UHFFFAOYSA-N -1 1 288.257 3.246 20 0 CGADMM Cc1cc(Oc2cccc(F)c2-c2nn[n-]n2)ccc1F ZINC000822211734 607128785 /nfs/dbraw/zinc/12/87/85/607128785.db2.gz MMNZKZPMNSDFFN-UHFFFAOYSA-N -1 1 288.257 3.246 20 0 CGADMM CC(C)[C@H](C)Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000824193264 608186637 /nfs/dbraw/zinc/18/66/37/608186637.db2.gz VWFNGGAEXFGQPW-YFKPBYRVSA-N -1 1 289.817 3.113 20 0 CGADMM CC(C)[C@H](C)Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000824193264 608186639 /nfs/dbraw/zinc/18/66/39/608186639.db2.gz VWFNGGAEXFGQPW-YFKPBYRVSA-N -1 1 289.817 3.113 20 0 CGADMM O=S(=O)(/C=C/c1ccccc1)[N-]c1cccc(Cl)n1 ZINC000162275195 618878474 /nfs/dbraw/zinc/87/84/74/618878474.db2.gz JXGSWPQSJXICCY-MDZDMXLPSA-N -1 1 294.763 3.148 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C1(C2CC2)CCC1 ZINC000909370858 619190237 /nfs/dbraw/zinc/19/02/37/619190237.db2.gz FVBBATPRYZPFJJ-UHFFFAOYSA-N -1 1 267.275 3.189 20 0 CGADMM CC[S@@](C)(=O)=NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000925818901 619263344 /nfs/dbraw/zinc/26/33/44/619263344.db2.gz DZBIAIJIDOLJNH-QGZVFWFLSA-N -1 1 290.797 3.141 20 0 CGADMM O=C(NCCC1CCCCC1)c1nnc2ccccc2c1O ZINC000261471092 619270958 /nfs/dbraw/zinc/27/09/58/619270958.db2.gz UQNAHMYCFRPDQF-UHFFFAOYSA-N -1 1 299.374 3.036 20 0 CGADMM C[C@@H]1C[C@H](C)CN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000049083330 619681333 /nfs/dbraw/zinc/68/13/33/619681333.db2.gz CRNLLVYXKQBFNP-AOOOYVTPSA-N -1 1 267.756 3.164 20 0 CGADMM O=C(NCCc1ccc(F)cc1)c1c([O-])cccc1Cl ZINC000049082534 619681861 /nfs/dbraw/zinc/68/18/61/619681861.db2.gz LHILISSVQOWXBF-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM CC(C)Cc1nsc([N-]c2cnn(C3CCC3)c2)n1 ZINC000897106713 620145969 /nfs/dbraw/zinc/14/59/69/620145969.db2.gz PUMRCBZQCYXXKV-UHFFFAOYSA-N -1 1 277.397 3.402 20 0 CGADMM CC(C)c1noc([N-]Cc2nc(C(C)(C)C)co2)n1 ZINC000897175456 620154589 /nfs/dbraw/zinc/15/45/89/620154589.db2.gz DDICBCPKEJSVMP-UHFFFAOYSA-N -1 1 264.329 3.091 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])C1C[C@H]2CC[C@@H](C1)S2 ZINC000897530064 620374819 /nfs/dbraw/zinc/37/48/19/620374819.db2.gz CWDSPYOKULFZMN-CBLAIPOGSA-N -1 1 298.795 3.053 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCCC3(CCC3)O2)n1 ZINC000901537418 620918846 /nfs/dbraw/zinc/91/88/46/620918846.db2.gz OFTFLZZOBHOOQH-LBPRGKRZSA-N -1 1 294.420 3.329 20 0 CGADMM CCc1nc(SCc2cc(C)cc(C)n2)[n-]c(=O)c1C ZINC000901565454 620931282 /nfs/dbraw/zinc/93/12/82/620931282.db2.gz ZPKAUOFEQQMMHN-UHFFFAOYSA-N -1 1 289.404 3.357 20 0 CGADMM O=C([O-])[C@@H](CC1CC1)N[C@H](CCc1ccccc1)C(F)F ZINC000901786232 621019158 /nfs/dbraw/zinc/01/91/58/621019158.db2.gz JCJOFVQEOWEQRM-ZIAGYGMSSA-N -1 1 297.345 3.096 20 0 CGADMM C[C@H]1CCN(Cc2cc3cc(F)ccc3o2)[C@@H](C(=O)[O-])C1 ZINC000902011848 621098872 /nfs/dbraw/zinc/09/88/72/621098872.db2.gz NFXIKIPMGSNHMI-IINYFYTJSA-N -1 1 291.322 3.257 20 0 CGADMM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1Cc1ccoc1 ZINC000902045641 621115359 /nfs/dbraw/zinc/11/53/59/621115359.db2.gz FFNUGEUNUJKMEZ-LSDHHAIUSA-N -1 1 271.316 3.070 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CNCc2csc(C(=O)[O-])c2)o1 ZINC000902108548 621138768 /nfs/dbraw/zinc/13/87/68/621138768.db2.gz LXVLGXYXQHNWDV-CABZTGNLSA-N -1 1 291.372 3.453 20 0 CGADMM CC(C)(F)CNCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902275543 621238881 /nfs/dbraw/zinc/23/88/81/621238881.db2.gz CJACXVVQHLTODG-UHFFFAOYSA-N -1 1 291.322 3.483 20 0 CGADMM CC(C)(CCN1CCc2c3ccccc3[nH]c2C1)C(=O)[O-] ZINC000902341140 621253640 /nfs/dbraw/zinc/25/36/40/621253640.db2.gz AVTOYXFWAYXSBK-UHFFFAOYSA-N -1 1 286.375 3.027 20 0 CGADMM Cc1ccc(F)c(C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)c1F ZINC000903608996 621771425 /nfs/dbraw/zinc/77/14/25/621771425.db2.gz QTPXUBWJIRIZDZ-JTQLQIEISA-N -1 1 283.318 3.101 20 0 CGADMM C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc(C(=O)[O-])s1 ZINC000903688185 621785989 /nfs/dbraw/zinc/78/59/89/621785989.db2.gz SWZYWCHWHKIFLT-XPTSAGLGSA-N -1 1 289.356 3.058 20 0 CGADMM Cc1cccc(C)c1CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC000903946368 621839728 /nfs/dbraw/zinc/83/97/28/621839728.db2.gz FWFCRORAIJKADU-UHFFFAOYSA-N -1 1 284.359 3.029 20 0 CGADMM Cc1[n-]n(-c2ccc(Cl)c(C)c2)c(=O)c1C1CC1 ZINC000905021706 622030771 /nfs/dbraw/zinc/03/07/71/622030771.db2.gz AJWQZOSGTHZCNT-ZDUSSCGKSA-N -1 1 262.740 3.397 20 0 CGADMM COc1ccc([C@@H](C)NCc2cc(C(=O)[O-])co2)cc1C ZINC000905769740 622109072 /nfs/dbraw/zinc/10/90/72/622109072.db2.gz JKMXDDWMHTUIRT-LLVKDONJSA-N -1 1 289.331 3.146 20 0 CGADMM O=C(C=C1CCC1)Nc1cccc([O-])c1Br ZINC000908708854 622368983 /nfs/dbraw/zinc/36/89/83/622368983.db2.gz DPURPPIBRCGRJW-UHFFFAOYSA-N -1 1 282.137 3.204 20 0 CGADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908709006 622369003 /nfs/dbraw/zinc/36/90/03/622369003.db2.gz FRRUUVQBLGMOGX-RKDXNWHRSA-N -1 1 298.180 3.385 20 0 CGADMM CC[C@@H]1C[C@@H](CC(=O)Nc2cc([O-])c(F)cc2F)CCO1 ZINC000909985786 622440808 /nfs/dbraw/zinc/44/08/08/622440808.db2.gz PJHYSXFSWBSJAA-VHSXEESVSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@H](CC(F)(F)F)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987814 622444199 /nfs/dbraw/zinc/44/41/99/622444199.db2.gz KAYSWTRIYXEUNZ-RXMQYKEDSA-N -1 1 283.196 3.197 20 0 CGADMM CC(=O)[C@@H](C)CCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909984030 622444772 /nfs/dbraw/zinc/44/47/72/622444772.db2.gz HQTGXYSIEVANOB-VIFPVBQESA-N -1 1 299.317 3.394 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1C[C@H]1C1CCCC1 ZINC000909988230 622446401 /nfs/dbraw/zinc/44/64/01/622446401.db2.gz AOJIPCFAAJUEIK-UWVGGRQHSA-N -1 1 281.302 3.435 20 0 CGADMM CC(C)(C)SCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910979241 622512613 /nfs/dbraw/zinc/51/26/13/622512613.db2.gz GFOSAIPWMFUDHU-UHFFFAOYSA-N -1 1 275.320 3.141 20 0 CGADMM O=C(CCC1CCC1)Nc1cc(F)cc(F)c1[O-] ZINC000910982846 622512908 /nfs/dbraw/zinc/51/29/08/622512908.db2.gz RGVGMOMEYWDHJN-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C1(C(F)F)CCC1 ZINC000910991793 622514003 /nfs/dbraw/zinc/51/40/03/622514003.db2.gz SREQBIIGWIPGGY-UHFFFAOYSA-N -1 1 277.217 3.044 20 0 CGADMM CCc1nnc(C(=O)[N-]c2ccc(F)cc2SC)s1 ZINC000911595451 622538936 /nfs/dbraw/zinc/53/89/36/622538936.db2.gz PCISNNXLXHQUIN-UHFFFAOYSA-N -1 1 297.380 3.214 20 0 CGADMM CC[C@@H]1CCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769978161 625582303 /nfs/dbraw/zinc/58/23/03/625582303.db2.gz SUSAIZWQAHSPAF-MWLCHTKSSA-N -1 1 267.756 3.354 20 0 CGADMM C/C(=C(\F)C(=O)Nc1cccc(F)c1[O-])C1CC1 ZINC000913158903 622734236 /nfs/dbraw/zinc/73/42/36/622734236.db2.gz LIJXVLHKRGMDMC-YRNVUSSQSA-N -1 1 253.248 3.123 20 0 CGADMM CCN(C(=O)c1ccc(OC)cc1[O-])c1ccc(C)cc1 ZINC000055463883 622828195 /nfs/dbraw/zinc/82/81/95/622828195.db2.gz PSDWHJSAWZMQOI-UHFFFAOYSA-N -1 1 285.343 3.376 20 0 CGADMM CC[C@H](NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000228170854 623045868 /nfs/dbraw/zinc/04/58/68/623045868.db2.gz JZQUWUARASAYOP-AWEZNQCLSA-N -1 1 259.305 3.219 20 0 CGADMM CC/C(=C\C(=O)[N-]O[C@@H]1CCCCO1)c1ccc(C)cc1 ZINC000172887078 623289605 /nfs/dbraw/zinc/28/96/05/623289605.db2.gz ARWJTWOAKHSUCU-ABDJAZHISA-N -1 1 289.375 3.363 20 0 CGADMM C[C@@H]1c2ccsc2CCN1C(=O)c1ccc([O-])cc1F ZINC000232385509 623382706 /nfs/dbraw/zinc/38/27/06/623382706.db2.gz VTJPGXAIAQENDX-SECBINFHSA-N -1 1 291.347 3.352 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](C(F)(F)F)C1 ZINC000311665308 623458710 /nfs/dbraw/zinc/45/87/10/623458710.db2.gz YGKPSGWORMRULH-SSDOTTSWSA-N -1 1 293.672 3.070 20 0 CGADMM CCc1cc(=O)[n-]c(SCC[C@@H]2C[C@H]2C2CC2)n1 ZINC000917513539 624278087 /nfs/dbraw/zinc/27/80/87/624278087.db2.gz VSQYTHVQWXKZEP-PWSUYJOCSA-N -1 1 264.394 3.273 20 0 CGADMM COC[C@H](CSc1nc(C)c(C2CC2)c(=O)[n-]1)C(C)C ZINC000918463821 624347819 /nfs/dbraw/zinc/34/78/19/624347819.db2.gz UGFZLVKCZGLRQA-GFCCVEGCSA-N -1 1 296.436 3.379 20 0 CGADMM O=C(NCc1ccc(F)cc1F)c1c([O-])cccc1Cl ZINC000920444803 624494139 /nfs/dbraw/zinc/49/41/39/624494139.db2.gz LILPQHYTSXGUFJ-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM CN(C[C@@H]1CC=CCC1)C(=O)c1c([O-])cccc1Cl ZINC000753104328 626445332 /nfs/dbraw/zinc/44/53/32/626445332.db2.gz GAKGVCNSXBMURW-LLVKDONJSA-N -1 1 279.767 3.474 20 0 CGADMM Cc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)c(C)o1 ZINC000756280632 626689036 /nfs/dbraw/zinc/68/90/36/626689036.db2.gz CMXKYKABZOYRQU-CYBMUJFWSA-N -1 1 279.361 3.264 20 0 CGADMM O=C(Nc1c([O-])cccc1F)C(F)(F)c1ccccc1 ZINC000756773175 626731364 /nfs/dbraw/zinc/73/13/64/626731364.db2.gz SQTBEBYFVZBBOP-UHFFFAOYSA-N -1 1 281.233 3.262 20 0 CGADMM O=C(Cc1cc2cc(Cl)ccc2[nH]1)[N-]OCCC1CC1 ZINC000839778197 626787616 /nfs/dbraw/zinc/78/76/16/626787616.db2.gz NUMQLZHDXZISIM-UHFFFAOYSA-N -1 1 292.766 3.212 20 0 CGADMM O=C(/C=C\c1ccccc1)Nc1c([O-])cccc1F ZINC000760196659 626943884 /nfs/dbraw/zinc/94/38/84/626943884.db2.gz IPLHJTWDIMIXGS-KTKRTIGZSA-N -1 1 257.264 3.183 20 0 CGADMM C[C@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000766927069 627370831 /nfs/dbraw/zinc/37/08/31/627370831.db2.gz LMBDRVAKWFCPRQ-SSDOTTSWSA-N -1 1 299.214 3.375 20 0 CGADMM O=c1cc(C2CC2)nc(SC/C(Cl)=C/Cl)[n-]1 ZINC000767081312 627381020 /nfs/dbraw/zinc/38/10/20/627381020.db2.gz CHXNPGXGDBSULC-DAXSKMNVSA-N -1 1 277.176 3.471 20 0 CGADMM C[C@H](CCC1CC1)NC(=O)c1c([O-])cccc1Cl ZINC000769647024 627570872 /nfs/dbraw/zinc/57/08/72/627570872.db2.gz VZVPIOWOMWYCNY-SECBINFHSA-N -1 1 267.756 3.354 20 0 CGADMM O=C(Nc1ccc(F)nc1)c1cc2ccccc2cc1[O-] ZINC000769723611 627574634 /nfs/dbraw/zinc/57/46/34/627574634.db2.gz MGXOLSPIHCGIRE-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM Cc1cccc(C)c1CNC(=O)c1c([O-])cccc1F ZINC000772167731 627769614 /nfs/dbraw/zinc/76/96/14/627769614.db2.gz LLLPQYHOWCYQEA-UHFFFAOYSA-N -1 1 273.307 3.078 20 0 CGADMM C[C@@H](CCOc1ccccc1)C(=O)[N-]Oc1ccccc1 ZINC000773464329 627886547 /nfs/dbraw/zinc/88/65/47/627886547.db2.gz GFRWHPRWQODMRK-AWEZNQCLSA-N -1 1 285.343 3.202 20 0 CGADMM O=C(OCc1ccc2ccccc2n1)c1ccc([O-])cc1F ZINC000773571830 627897897 /nfs/dbraw/zinc/89/78/97/627897897.db2.gz TZVXURSMURNWAV-UHFFFAOYSA-N -1 1 297.285 3.437 20 0 CGADMM COc1cc(Cl)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000775357283 628085695 /nfs/dbraw/zinc/08/56/95/628085695.db2.gz WFTPCHMKTAJAGF-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM Cc1cc2cc(C=C3SC(=O)[N-]C3=O)oc2cc1C ZINC000874928272 634653575 /nfs/dbraw/zinc/65/35/75/634653575.db2.gz NNPKMSHPXFDRQR-SDQBBNPISA-N -1 1 273.313 3.374 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2ccc(Oc3ccccc3)o2)S1 ZINC000874929341 634654021 /nfs/dbraw/zinc/65/40/21/634654021.db2.gz ZPCUZCFDAUDDGS-FLIBITNWSA-N -1 1 287.296 3.396 20 0 CGADMM O=C(C=C1CCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000780992255 628529053 /nfs/dbraw/zinc/52/90/53/628529053.db2.gz PHSMQLOYRNTCHS-UHFFFAOYSA-N -1 1 251.713 3.485 20 0 CGADMM COc1cccc2cc(C[N-]c3nnc(C(F)F)o3)oc21 ZINC000787245469 629004523 /nfs/dbraw/zinc/00/45/23/629004523.db2.gz GEASENGMVHUDFG-UHFFFAOYSA-N -1 1 295.245 3.374 20 0 CGADMM C/C(=C\C(=O)Nc1cccc(F)c1[O-])C(C)(C)C ZINC000863007986 629459835 /nfs/dbraw/zinc/45/98/35/629459835.db2.gz CWYXJXXRWUAUHN-CMDGGOBGSA-N -1 1 251.301 3.462 20 0 CGADMM CC(C)(C)/C=C\C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863475668 629582409 /nfs/dbraw/zinc/58/24/09/629582409.db2.gz NNEFVPCDBBZNKJ-NTMALXAHSA-N -1 1 285.347 3.119 20 0 CGADMM C[C@H](Nc1cc(Cl)[n-]c(=O)n1)[C@@]12C[C@@H]1CCCC2 ZINC000864090887 629766402 /nfs/dbraw/zinc/76/64/02/629766402.db2.gz KUUQQLNDHFGCCS-MWODSPESSA-N -1 1 267.760 3.216 20 0 CGADMM CCc1ccc(N(CC2CC2)C(=O)c2cncc([O-])c2)cc1 ZINC000836834613 634811411 /nfs/dbraw/zinc/81/14/11/634811411.db2.gz DCXWZWOLNVNJMP-UHFFFAOYSA-N -1 1 296.370 3.406 20 0 CGADMM CCCCCC(C)(C)CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000807037052 630582255 /nfs/dbraw/zinc/58/22/55/630582255.db2.gz SJADPZPUBYXBNQ-UHFFFAOYSA-N -1 1 291.391 3.298 20 0 CGADMM O=C([N-][C@@H]1CCCC1(F)F)C(F)(F)c1ccc(F)cc1 ZINC000807854456 630600905 /nfs/dbraw/zinc/60/09/05/630600905.db2.gz YRBGXENBXHFQEW-SNVBAGLBSA-N -1 1 293.235 3.222 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC2(CCC2)C1 ZINC000876396026 634826570 /nfs/dbraw/zinc/82/65/70/634826570.db2.gz USKIUIFGYVCBBA-UHFFFAOYSA-N -1 1 294.782 3.131 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1cn(C)c2ccccc12 ZINC000816977502 632067595 /nfs/dbraw/zinc/06/75/95/632067595.db2.gz AOKXWPGKIDHZGJ-QWHCGFSZSA-N -1 1 288.391 3.376 20 0 CGADMM C[C@H](CN(C)Cc1cc2ccccc2nc1Cl)C(=O)[O-] ZINC000817873718 632229479 /nfs/dbraw/zinc/22/94/79/632229479.db2.gz HMXXXHGSOKCOEP-SNVBAGLBSA-N -1 1 292.766 3.041 20 0 CGADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2cc([O-])c(F)cc2F)CCO1 ZINC000822542797 632968674 /nfs/dbraw/zinc/96/86/74/632968674.db2.gz IBBZATNXJYFVBY-XPTSAGLGSA-N -1 1 299.317 3.060 20 0 CGADMM C[C@@]1(CC(=O)Nc2c([O-])cccc2F)CC1(Cl)Cl ZINC000825874075 633385528 /nfs/dbraw/zinc/38/55/28/633385528.db2.gz UMUODNNOQCWMGX-LLVKDONJSA-N -1 1 292.137 3.444 20 0 CGADMM Cc1ccccc1[C@@H](C)C(=O)[N-]OCCCC(F)(F)F ZINC000828335939 633606257 /nfs/dbraw/zinc/60/62/57/633606257.db2.gz JYHFOVSPWREUSX-LLVKDONJSA-N -1 1 289.297 3.489 20 0 CGADMM CCC(F)(F)c1ccccc1NC(=O)c1n[nH]c(C)c1[O-] ZINC000828986772 633675754 /nfs/dbraw/zinc/67/57/54/633675754.db2.gz BKMQNPINXGGNFS-UHFFFAOYSA-N -1 1 295.289 3.178 20 0 CGADMM CC[C@H](C)n1nc([N-]S(=O)(=O)C2=CCCCC2)cc1C ZINC000829902607 633809195 /nfs/dbraw/zinc/80/91/95/633809195.db2.gz LHZXZXOKTYNDSV-NSHDSACASA-N -1 1 297.424 3.362 20 0 CGADMM COc1ccc(Cn2[n-]c3c(c2=O)CCC(C)(C)C3)cc1 ZINC000871949209 633924162 /nfs/dbraw/zinc/92/41/62/633924162.db2.gz QOOIIIUVIZURJP-AWEZNQCLSA-N -1 1 286.375 3.220 20 0 CGADMM CCc1c(=O)n(-c2ccnc(Cl)c2)[n-]c1C(C)C ZINC000871953254 633925798 /nfs/dbraw/zinc/92/57/98/633925798.db2.gz HOHWGZQSZAOOTI-JTQLQIEISA-N -1 1 265.744 3.120 20 0 CGADMM CCc1[n-]n(Cc2cc(Cl)ccc2Cl)c(=O)c1F ZINC000871958969 633928110 /nfs/dbraw/zinc/92/81/10/633928110.db2.gz IOZXZJDGYIWMSS-NSHDSACASA-N -1 1 289.137 3.440 20 0 CGADMM O=c1c2c([n-]n1[C@@H]1CCOC3(CCCC3)C1)CCCCC2 ZINC000871964791 633931564 /nfs/dbraw/zinc/93/15/64/633931564.db2.gz ZRXWRQXYDBZJCZ-ZIAGYGMSSA-N -1 1 290.407 3.257 20 0 CGADMM C[C@H](CC(=O)NCc1ccc([O-])c(Cl)c1)c1ccco1 ZINC000834818581 634246692 /nfs/dbraw/zinc/24/66/92/634246692.db2.gz NMOTZKCUASYFLK-SNVBAGLBSA-N -1 1 293.750 3.449 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CCCC12CC2 ZINC000834818603 634246994 /nfs/dbraw/zinc/24/69/94/634246994.db2.gz OBUKALBHAHWXHV-NSHDSACASA-N -1 1 279.767 3.242 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H]1C1CCC1 ZINC000834823470 634247852 /nfs/dbraw/zinc/24/78/52/634247852.db2.gz XXINFTVMRDLMQK-NWDGAFQWSA-N -1 1 279.767 3.098 20 0 CGADMM C/C(=C\C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000834833787 634252664 /nfs/dbraw/zinc/25/26/64/634252664.db2.gz LVQLNFCOYXERSS-RMKNXTFCSA-N -1 1 265.740 3.018 20 0 CGADMM CC[C@H](C)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000834892010 634270356 /nfs/dbraw/zinc/27/03/56/634270356.db2.gz ABBODFJKSZLTEJ-JTQLQIEISA-N -1 1 288.313 3.384 20 0 CGADMM CCCO[N-]C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000844089173 635819465 /nfs/dbraw/zinc/81/94/65/635819465.db2.gz YQEBFWIFCJDSLV-GFCCVEGCSA-N -1 1 277.364 3.087 20 0 CGADMM CC1(C)C[C@]1(C)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000881545159 636140139 /nfs/dbraw/zinc/14/01/39/636140139.db2.gz HNSLVAYPXRLSES-OAHLLOKOSA-N -1 1 281.783 3.141 20 0 CGADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccc(F)nc1 ZINC000882159008 636273295 /nfs/dbraw/zinc/27/32/95/636273295.db2.gz YYCIEMUZXRXTOV-MRVPVSSYSA-N -1 1 291.351 3.447 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H](C)c2ccc(F)nc2)n1 ZINC000882157951 636273459 /nfs/dbraw/zinc/27/34/59/636273459.db2.gz IZBVEKHUOVGBFD-MRVPVSSYSA-N -1 1 279.340 3.132 20 0 CGADMM O=C(/C=C\c1ccco1)Nc1ccc([O-])c(Cl)c1 ZINC000216431576 637151061 /nfs/dbraw/zinc/15/10/61/637151061.db2.gz RHJUBKZJSIAJBI-XQRVVYSFSA-N -1 1 263.680 3.291 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1(CCF)CC1 ZINC000885677983 637284553 /nfs/dbraw/zinc/28/45/53/637284553.db2.gz FWDVALQSROKZAO-UHFFFAOYSA-N -1 1 275.682 3.263 20 0 CGADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680130 637285841 /nfs/dbraw/zinc/28/58/41/637285841.db2.gz MIYTVNMYMFDTRG-RYPBNFRJSA-N -1 1 283.730 3.415 20 0 CGADMM CC[C@@](C)(NC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000855879187 638271328 /nfs/dbraw/zinc/27/13/28/638271328.db2.gz IIEPDBUDCHPWCF-CQSZACIVSA-N -1 1 267.756 3.354 20 0 CGADMM C[C@H](C(=O)[N-]OCC1CCC1)c1cccc(Cl)c1 ZINC000856349227 638349662 /nfs/dbraw/zinc/34/96/62/638349662.db2.gz KPNJVWWKMCURQR-JTQLQIEISA-N -1 1 267.756 3.291 20 0 CGADMM CC1(C)CC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000857506607 638511372 /nfs/dbraw/zinc/51/13/72/638511372.db2.gz VUTFYGOFANMAPH-LLVKDONJSA-N -1 1 287.281 3.329 20 0 CGADMM CC(C)Cc1ccc([C@H](C)C(=O)[N-]OC(C)C)cc1 ZINC000857522770 638513297 /nfs/dbraw/zinc/51/32/97/638513297.db2.gz PADCBIFYHNUNTF-ZDUSSCGKSA-N -1 1 263.381 3.445 20 0 CGADMM CC(C)c1ncsc1NC(=O)c1cc(F)ccc1[O-] ZINC000857527324 638514546 /nfs/dbraw/zinc/51/45/46/638514546.db2.gz YKLPRDOHURUMMC-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM O=c1nc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc(Cl)[n-]1 ZINC000858426846 638714428 /nfs/dbraw/zinc/71/44/28/638714428.db2.gz UOXJUEGDXJVXFM-KXUCPTDWSA-N -1 1 267.760 3.216 20 0 CGADMM CCC[C@H]1[C@H](C)CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858438307 638718449 /nfs/dbraw/zinc/71/84/49/638718449.db2.gz OFRSUMVOORFGNO-ZJUUUORDSA-N -1 1 269.776 3.241 20 0 CGADMM O=c1nc(N2CC[C@@H](C3CCCCC3)C2)cc(Cl)[n-]1 ZINC000858626000 639004447 /nfs/dbraw/zinc/00/44/47/639004447.db2.gz JOUSVKFJVVPVSC-LLVKDONJSA-N -1 1 281.787 3.242 20 0 CGADMM O=c1nc(NCC(C2CCC2)C2CCC2)cc(Cl)[n-]1 ZINC000858654833 639007285 /nfs/dbraw/zinc/00/72/85/639007285.db2.gz SXOYELLOINNHFL-UHFFFAOYSA-N -1 1 281.787 3.464 20 0 CGADMM C/C=C/C[C@@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858863099 639032643 /nfs/dbraw/zinc/03/26/43/639032643.db2.gz CBFGEWAMBFZUBW-VMZHVLLKSA-N -1 1 267.760 3.018 20 0 CGADMM CC1=C(C)C[C@@](C)(C(=O)[N-]O[C@@H]2CCCCO2)CC1 ZINC000931318437 639134213 /nfs/dbraw/zinc/13/42/13/639134213.db2.gz SUBXLPVPQIMTJW-HIFRSBDPSA-N -1 1 267.369 3.087 20 0 CGADMM CN(CCC(C)(C)C(=O)[O-])Cc1c(F)cccc1Cl ZINC000859779578 639211376 /nfs/dbraw/zinc/21/13/76/639211376.db2.gz KKZRPLAUABJHRJ-UHFFFAOYSA-N -1 1 287.762 3.412 20 0 CGADMM O=C(C[C@@H]1CCCC1(F)F)Nc1ccc(F)cc1[O-] ZINC000935100640 639748260 /nfs/dbraw/zinc/74/82/60/639748260.db2.gz QQEAWSMDYPYYNS-QMMMGPOBSA-N -1 1 273.254 3.295 20 0 CGADMM Cc1cscc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188370183 640133147 /nfs/dbraw/zinc/13/31/47/640133147.db2.gz ZKANEDFYXKWCNU-UHFFFAOYSA-N -1 1 268.725 3.063 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccccc1Cl ZINC000188365179 640133166 /nfs/dbraw/zinc/13/31/66/640133166.db2.gz UXIVQPDRCREUPC-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM CCc1ccsc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188364223 640133821 /nfs/dbraw/zinc/13/38/21/640133821.db2.gz ATGWPEGDUJOLQK-UHFFFAOYSA-N -1 1 282.752 3.317 20 0 CGADMM [O-]c1ccc(Cl)c(F)c1CNc1ccccc1CO ZINC000191369468 640306215 /nfs/dbraw/zinc/30/62/15/640306215.db2.gz HULDKLYVZYDESU-UHFFFAOYSA-N -1 1 281.714 3.289 20 0 CGADMM COc1cc(NC(=O)c2cncc([O-])c2)cc2ccccc21 ZINC001156669981 805723413 /nfs/dbraw/zinc/72/34/13/805723413.db2.gz MGXNGUZVYJXDPT-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM [O-]c1cccc(-c2ccc3c(c2)OCCO3)c1Cl ZINC001250625750 805734467 /nfs/dbraw/zinc/73/44/67/805734467.db2.gz AZHNKCYQTXWTPJ-UHFFFAOYSA-N -1 1 262.692 3.484 20 0 CGADMM [O-]c1c(F)cccc1-c1nc2c(ccc(F)c2F)[nH]1 ZINC001250680751 805755119 /nfs/dbraw/zinc/75/51/19/805755119.db2.gz IIULAPPGRWBNMW-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM Cc1c(F)ccc([N-]S(=O)(=O)c2cccs2)c1F ZINC001250925593 805800953 /nfs/dbraw/zinc/80/09/53/805800953.db2.gz DTQHNFUATUAPAQ-UHFFFAOYSA-N -1 1 289.328 3.136 20 0 CGADMM Cn1c(-c2cc(F)c(F)cc2[O-])nc2cccc(F)c21 ZINC001250966629 805810846 /nfs/dbraw/zinc/81/08/46/805810846.db2.gz FTWHSDGKEAMKDX-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM COc1ccc2[nH]c(-c3cc(F)c(F)cc3[O-])nc2c1 ZINC001250967393 805811160 /nfs/dbraw/zinc/81/11/60/805811160.db2.gz PGKJNFHWVYJDPZ-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM COc1cc2[nH]c(-c3sccc3C(=O)[O-])nc2cc1C ZINC001251011865 805827945 /nfs/dbraw/zinc/82/79/45/805827945.db2.gz UFBWBFXPQDIFND-UHFFFAOYSA-N -1 1 288.328 3.307 20 0 CGADMM [O-]c1c(F)ccc(-c2nc3cc4c(cc3[nH]2)OCC4)c1F ZINC001251235417 805868944 /nfs/dbraw/zinc/86/89/44/805868944.db2.gz ZDCFROFDHZLERL-UHFFFAOYSA-N -1 1 288.253 3.149 20 0 CGADMM COc1cc2nc(-c3ccc(F)c([O-])c3F)[nH]c2cc1F ZINC001251234905 805869218 /nfs/dbraw/zinc/86/92/18/805869218.db2.gz LSVJZRFMTLFYCH-UHFFFAOYSA-N -1 1 294.232 3.361 20 0 CGADMM [O-]c1ccc(F)c(F)c1-c1nc2c(cc(F)cc2F)[nH]1 ZINC001251319152 805881548 /nfs/dbraw/zinc/88/15/48/805881548.db2.gz PXAYKEXGXUCDJQ-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM COc1ccc(-c2nnc(-c3cc(F)ccc3[O-])o2)cc1 ZINC001252023886 805977046 /nfs/dbraw/zinc/97/70/46/805977046.db2.gz ZLYYNBMCQMNWHH-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM [O-]c1cc(O)ccc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC001252714722 806105608 /nfs/dbraw/zinc/10/56/08/806105608.db2.gz CPNBJCKNGFEFGQ-UHFFFAOYSA-N -1 1 288.690 3.468 20 0 CGADMM [O-]c1ccc(F)c(-c2nnc(-c3ccccc3)o2)c1F ZINC001253138203 806179654 /nfs/dbraw/zinc/17/96/54/806179654.db2.gz NWEIXRFELQGRTO-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CCS(=O)(=O)[N-]c1cccc(F)c1OCC(C)(C)C ZINC001253367016 806211717 /nfs/dbraw/zinc/21/17/17/806211717.db2.gz PBXPYQHAUJYDAU-UHFFFAOYSA-N -1 1 289.372 3.012 20 0 CGADMM COc1ccc(-c2nnc(-c3cccc(C)c3)o2)c([O-])c1 ZINC001253612574 806273284 /nfs/dbraw/zinc/27/32/84/806273284.db2.gz JOHJLXTYABMRQK-UHFFFAOYSA-N -1 1 282.299 3.426 20 0 CGADMM CC(C)[C@H](O)CNc1c(Cl)ccc([O-])c1Cl ZINC001253772047 806305360 /nfs/dbraw/zinc/30/53/60/806305360.db2.gz YXUADIVCXDVNQV-SECBINFHSA-N -1 1 264.152 3.128 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H](F)c1ccccc1 ZINC001160916527 806321036 /nfs/dbraw/zinc/32/10/36/806321036.db2.gz JTWLPPQRLLNYTP-ZDUSSCGKSA-N -1 1 281.233 3.320 20 0 CGADMM CC(C)(CNC(=O)c1ccc(F)c([O-])c1)C1=CCCC1 ZINC001161059932 806344900 /nfs/dbraw/zinc/34/49/00/806344900.db2.gz WWMQNXKFJHFGBZ-UHFFFAOYSA-N -1 1 277.339 3.398 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc2c1CCC2 ZINC001254498084 806418692 /nfs/dbraw/zinc/41/86/92/806418692.db2.gz YKKBSHRZOVBTJH-UHFFFAOYSA-N -1 1 287.384 3.285 20 0 CGADMM O=S(=O)([N-]c1ccccc1)c1cccc2ccncc21 ZINC000146560742 799048094 /nfs/dbraw/zinc/04/80/94/799048094.db2.gz UFIHMVPTHQKTEW-UHFFFAOYSA-N -1 1 284.340 3.036 20 0 CGADMM O=C(Nc1cc(F)c([O-])c(F)c1)NC1CCCCC1 ZINC000169207385 799087032 /nfs/dbraw/zinc/08/70/32/799087032.db2.gz KPZKUXCJGHCGMT-UHFFFAOYSA-N -1 1 270.279 3.125 20 0 CGADMM O=C(Nc1ccc(O)c(Cl)c1)c1ccc([O-])cc1F ZINC000182880670 799114664 /nfs/dbraw/zinc/11/46/64/799114664.db2.gz AIPJWJBMUALBOI-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000717217950 800197866 /nfs/dbraw/zinc/19/78/66/800197866.db2.gz FBWRUJSUYKOYMV-DQDDRIPDSA-N -1 1 265.740 3.276 20 0 CGADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000717217954 800198335 /nfs/dbraw/zinc/19/83/35/800198335.db2.gz FBWRUJSUYKOYMV-PXIYARARSA-N -1 1 265.740 3.276 20 0 CGADMM O=C(NC1(C2CCC2)CCC1)c1cc(Cl)ccc1[O-] ZINC000717855558 800207341 /nfs/dbraw/zinc/20/73/41/800207341.db2.gz IFVHXOVRZFJEOK-UHFFFAOYSA-N -1 1 279.767 3.498 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(F)(C2CC2)CC1 ZINC000724831781 800367317 /nfs/dbraw/zinc/36/73/17/800367317.db2.gz RCUKOTITBFWCDE-UHFFFAOYSA-N -1 1 297.757 3.400 20 0 CGADMM CN(C/C=C/c1ccccc1)Cc1ccc(C(=O)[O-])o1 ZINC000724899722 800368520 /nfs/dbraw/zinc/36/85/20/800368520.db2.gz BXDIODYZWUSBIJ-VMPITWQZSA-N -1 1 271.316 3.123 20 0 CGADMM CCCCCc1nnc(-c2cc(F)ccc2[O-])o1 ZINC001256137345 806832353 /nfs/dbraw/zinc/83/23/53/806832353.db2.gz VYRIUYCGKKHOBD-UHFFFAOYSA-N -1 1 250.273 3.314 20 0 CGADMM CCCCCc1nnc(-c2c(F)ccc([O-])c2F)o1 ZINC001256144299 806833849 /nfs/dbraw/zinc/83/38/49/806833849.db2.gz DMPQVXMTJZJTLZ-UHFFFAOYSA-N -1 1 268.263 3.453 20 0 CGADMM CSc1ccc([O-])c(C(=O)N(C)c2ccsc2)c1 ZINC001163835512 806835507 /nfs/dbraw/zinc/83/55/07/806835507.db2.gz GRKVMDGXGNGZKN-UHFFFAOYSA-N -1 1 279.386 3.452 20 0 CGADMM CC(C)Cc1nnc(-c2cccc([O-])c2Cl)o1 ZINC001256511258 806908178 /nfs/dbraw/zinc/90/81/78/806908178.db2.gz DDNFZQDKKDAJKK-UHFFFAOYSA-N -1 1 252.701 3.294 20 0 CGADMM COc1c(Cl)ccc([O-])c1-c1nnc([C@H]2C[C@H]2C)o1 ZINC001256745709 806968952 /nfs/dbraw/zinc/96/89/52/806968952.db2.gz AQOSTFRFUBGUDB-RQJHMYQMSA-N -1 1 280.711 3.228 20 0 CGADMM CC/C=C(/C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001116758275 802406617 /nfs/dbraw/zinc/40/66/17/802406617.db2.gz SWYHLMMUIDOYNG-YWEYNIOJSA-N -1 1 284.153 3.450 20 0 CGADMM Cc1cc(Nc2ccc(C(=O)[O-])s2)c2ccccc2n1 ZINC001174802408 809166733 /nfs/dbraw/zinc/16/67/33/809166733.db2.gz BLWRQMGGRFXTAP-UHFFFAOYSA-N -1 1 284.340 3.468 20 0 CGADMM CSc1nc(Nc2ccccc2OC(F)F)cc(=O)[n-]1 ZINC001176009777 809601802 /nfs/dbraw/zinc/60/18/02/809601802.db2.gz PTCNTPZLDYOMBX-UHFFFAOYSA-N -1 1 299.302 3.249 20 0 CGADMM Cc1ccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)cc1Cl ZINC001119065195 802630493 /nfs/dbraw/zinc/63/04/93/802630493.db2.gz FHNMLMDNFQXADD-RNCFNFMXSA-N -1 1 262.740 3.397 20 0 CGADMM CC(=O)Nc1ccc(-c2c([O-])cccc2Cl)nc1 ZINC001244037237 803154255 /nfs/dbraw/zinc/15/42/55/803154255.db2.gz QIIBELCKDQAIBP-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM COc1cc(F)ccc1-c1cc(F)c([O-])c(F)c1 ZINC001244095988 803184314 /nfs/dbraw/zinc/18/43/14/803184314.db2.gz GAOVAMIUPDIXHS-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM Cc1cc(-c2ncnc3ncccc32)cc(Cl)c1[O-] ZINC001244529555 803421925 /nfs/dbraw/zinc/42/19/25/803421925.db2.gz BPGUUGAYGLDAJG-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM Cc1cc(-c2cnc3ncccc3n2)cc(Cl)c1[O-] ZINC001244531592 803422697 /nfs/dbraw/zinc/42/26/97/803422697.db2.gz NFPNQEWFWKYZAP-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM CSc1nccc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244537433 803424931 /nfs/dbraw/zinc/42/49/31/803424931.db2.gz DECSUFWLWLWNPA-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cnc3ncccc3n2)c1F ZINC001244537432 803425066 /nfs/dbraw/zinc/42/50/66/803425066.db2.gz FGOSYVTWLIVCNP-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM Cc1cnc(C)c(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244538283 803425166 /nfs/dbraw/zinc/42/51/66/803425166.db2.gz KOPXQRWVLQYEDP-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM O=c1ocnc2ccc(-c3c(Cl)ccc([O-])c3F)cc12 ZINC001244541699 803429101 /nfs/dbraw/zinc/42/91/01/803429101.db2.gz QUUQVBWGPMRGLK-UHFFFAOYSA-N -1 1 291.665 3.353 20 0 CGADMM CC(=O)Nc1cccnc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244548007 803433255 /nfs/dbraw/zinc/43/32/55/803433255.db2.gz RKMXCSJNIITHTJ-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM Cc1cc(-c2cc(Cl)ccc2[O-])nc2[nH]cnc21 ZINC001245048601 803621418 /nfs/dbraw/zinc/62/14/18/803621418.db2.gz KUQAOTQWGZDRPK-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1ccc(-n2cccc2)nn1 ZINC001245048844 803621635 /nfs/dbraw/zinc/62/16/35/803621635.db2.gz HKCWOIUTAYSOFZ-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM Nc1ccc2ccc(-c3cc(Cl)ccc3[O-])nc2n1 ZINC001245050257 803622077 /nfs/dbraw/zinc/62/20/77/803622077.db2.gz DQYVMKDHRCJTQF-UHFFFAOYSA-N -1 1 271.707 3.238 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1cnc(N2CCCC2)cn1 ZINC001245052482 803623821 /nfs/dbraw/zinc/62/38/21/803623821.db2.gz PTKNVXIWRHHAEA-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM Cc1ccc([C@H](C)NC(=O)c2ccc(F)c([O-])c2)s1 ZINC001136410302 803642536 /nfs/dbraw/zinc/64/25/36/803642536.db2.gz TVNKUYCSZINEQF-VIFPVBQESA-N -1 1 279.336 3.392 20 0 CGADMM O=C(Nc1cc(F)c(F)c(F)c1)c1cccc([O-])c1F ZINC001136937359 803661752 /nfs/dbraw/zinc/66/17/52/803661752.db2.gz GQCLGNIRGTUVCI-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM [O-]c1cc(-c2ccc3[nH]cnc3c2)c(F)c(F)c1F ZINC001245636278 803872424 /nfs/dbraw/zinc/87/24/24/803872424.db2.gz QKHNZFOLQUZXQH-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM Cc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c(C)c1Cl ZINC001245826196 803980785 /nfs/dbraw/zinc/98/07/85/803980785.db2.gz GDCPATCXZRKOIC-UHFFFAOYSA-N -1 1 299.757 3.436 20 0 CGADMM [O-]c1ccc(F)c(-c2cc3cncnc3cn2)c1Cl ZINC001245828685 803983411 /nfs/dbraw/zinc/98/34/11/803983411.db2.gz YTZUMRJUQBSVDW-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM CCc1nnc2ccc(-c3c(F)ccc([O-])c3Cl)cn21 ZINC001245830981 803984146 /nfs/dbraw/zinc/98/41/46/803984146.db2.gz CACDORPKGUNQNU-UHFFFAOYSA-N -1 1 291.713 3.457 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3c(n2)CCOC3)c1Cl ZINC001245830750 803984744 /nfs/dbraw/zinc/98/47/44/803984744.db2.gz WYCDJJHMXIOHRG-UHFFFAOYSA-N -1 1 279.698 3.319 20 0 CGADMM O=C1Cc2ccc(-c3c(F)ccc([O-])c3Cl)cc2N1 ZINC001245831611 803986312 /nfs/dbraw/zinc/98/63/12/803986312.db2.gz BHSVTWLEMBAPOX-UHFFFAOYSA-N -1 1 277.682 3.346 20 0 CGADMM COC(=O)c1ccc(N)c(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245832065 803986434 /nfs/dbraw/zinc/98/64/34/803986434.db2.gz HHRGSYOFYWSEMS-UHFFFAOYSA-N -1 1 295.697 3.221 20 0 CGADMM NC(=O)c1cccc(-c2c(F)ccc([O-])c2Cl)c1F ZINC001245832140 803986849 /nfs/dbraw/zinc/98/68/49/803986849.db2.gz MQZMZKPGRLSDKJ-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM COc1cc(-c2c(F)ccc([O-])c2Cl)cnc1F ZINC001245831805 803987190 /nfs/dbraw/zinc/98/71/90/803987190.db2.gz PFUBVZWQMWHMHC-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3c(n2)NCCO3)c1Cl ZINC001245835620 803988303 /nfs/dbraw/zinc/98/83/03/803988303.db2.gz UWZMUXMKUWWMBJ-UHFFFAOYSA-N -1 1 280.686 3.051 20 0 CGADMM [O-]c1ccc(F)c(-c2cncc3ncoc32)c1Cl ZINC001245832558 803988637 /nfs/dbraw/zinc/98/86/37/803988637.db2.gz YUFMEUZKAKALDV-UHFFFAOYSA-N -1 1 264.643 3.388 20 0 CGADMM O=C1Cc2c(cccc2-c2c(F)ccc([O-])c2Cl)CN1 ZINC001245835525 803989170 /nfs/dbraw/zinc/98/91/70/803989170.db2.gz RBBRMJXCOJHSSU-UHFFFAOYSA-N -1 1 291.709 3.024 20 0 CGADMM CCc1cc(=O)n(-c2ccc(Br)c(C)c2)[n-]1 ZINC001245918039 804044673 /nfs/dbraw/zinc/04/46/73/804044673.db2.gz QPKMHIDPAKZTHM-UHFFFAOYSA-N -1 1 281.153 3.211 20 0 CGADMM CCCCc1cc(=O)n(-c2cccc3ncccc32)[n-]1 ZINC001245926519 804054389 /nfs/dbraw/zinc/05/43/89/804054389.db2.gz KKKBBBODLCAOGV-UHFFFAOYSA-N -1 1 267.332 3.469 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(Cl)c(OC)c2)[n-]1 ZINC001245926102 804054752 /nfs/dbraw/zinc/05/47/52/804054752.db2.gz ZOXGZWLBBDVVBA-UHFFFAOYSA-N -1 1 266.728 3.192 20 0 CGADMM COc1ccc2c(c1)CN(Cc1ccc([O-])c(F)c1F)C2 ZINC001140894106 804545950 /nfs/dbraw/zinc/54/59/50/804545950.db2.gz QJQLYCKORZJECZ-UHFFFAOYSA-N -1 1 291.297 3.195 20 0 CGADMM C[C@]1(F)CCCCN(Cc2cc(F)c([O-])c(F)c2)C1 ZINC001140988152 804561533 /nfs/dbraw/zinc/56/15/33/804561533.db2.gz PNMIMHDOKXQWRR-AWEZNQCLSA-N -1 1 273.298 3.385 20 0 CGADMM COc1ccc2c(c1)CN(Cc1cc(F)c([O-])c(F)c1)C2 ZINC001140990930 804564209 /nfs/dbraw/zinc/56/42/09/804564209.db2.gz DHZROGPZMFEFDP-UHFFFAOYSA-N -1 1 291.297 3.195 20 0 CGADMM C[C@H](C(=O)Nc1cc([O-])c(F)cc1F)c1cccc(O)c1 ZINC001141834200 804671360 /nfs/dbraw/zinc/67/13/60/804671360.db2.gz WHRZPTJKHDPGIK-QMMMGPOBSA-N -1 1 293.269 3.118 20 0 CGADMM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cncc([O-])c1 ZINC001142234075 804705614 /nfs/dbraw/zinc/70/56/14/804705614.db2.gz PUFMTKLXMJUTAP-CHWSQXEVSA-N -1 1 276.380 3.124 20 0 CGADMM Cc1sccc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142542298 804736437 /nfs/dbraw/zinc/73/64/37/804736437.db2.gz PJFAMAWBKYSNTH-UHFFFAOYSA-N -1 1 269.272 3.293 20 0 CGADMM COc1ccc(C[N-]C(=O)C(F)(F)F)c2ccccc12 ZINC001142771158 804767293 /nfs/dbraw/zinc/76/72/93/804767293.db2.gz ULADMHJIPCHXBT-UHFFFAOYSA-N -1 1 283.249 3.027 20 0 CGADMM O=C([N-][C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)C(F)(F)F ZINC001142771326 804767741 /nfs/dbraw/zinc/76/77/41/804767741.db2.gz XQLMXTWWUXZLAV-UMSGYPCISA-N -1 1 283.293 3.247 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C2CCC2)C2CCCC2)c([O-])c1 ZINC001143044074 804798938 /nfs/dbraw/zinc/79/89/38/804798938.db2.gz ZENMTFDAYXOAJH-HNNXBMFYSA-N -1 1 288.391 3.184 20 0 CGADMM C[C@H]1c2cccn2CCN1Cc1cc(F)c([O-])cc1F ZINC001144658166 805024434 /nfs/dbraw/zinc/02/44/34/805024434.db2.gz TXFSCLPSXUMBCM-JTQLQIEISA-N -1 1 278.302 3.049 20 0 CGADMM C[C@@H]1c2cccn2CCN1Cc1cc(F)c([O-])cc1F ZINC001144658167 805024980 /nfs/dbraw/zinc/02/49/80/805024980.db2.gz TXFSCLPSXUMBCM-SNVBAGLBSA-N -1 1 278.302 3.049 20 0 CGADMM Cc1ccc(CN(C)Cc2cc(F)c([O-])cc2F)cn1 ZINC001144659246 805028711 /nfs/dbraw/zinc/02/87/11/805028711.db2.gz ADYAPSHOCJQIPX-UHFFFAOYSA-N -1 1 278.302 3.006 20 0 CGADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1cccc([O-])c1F ZINC001144927696 805059821 /nfs/dbraw/zinc/05/98/21/805059821.db2.gz MLJFSQRZUMPZQH-ZDUSSCGKSA-N -1 1 289.281 3.088 20 0 CGADMM O=C(Cc1nc(C2CC2)cs1)Nc1c([O-])cccc1F ZINC001146492859 805069116 /nfs/dbraw/zinc/06/91/16/805069116.db2.gz RSMOCTPXOXYYSI-UHFFFAOYSA-N -1 1 292.335 3.046 20 0 CGADMM CCCC[C@@H](CC)C(=O)[N-]Oc1ccc(F)cc1 ZINC001146542981 805074759 /nfs/dbraw/zinc/07/47/59/805074759.db2.gz JRDCOBUSZHKPGR-LLVKDONJSA-N -1 1 253.317 3.452 20 0 CGADMM CC/C=C/NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148798768 805211315 /nfs/dbraw/zinc/21/13/15/805211315.db2.gz BWMRNYORTDPIHJ-ZZXKWVIFSA-N -1 1 259.227 3.065 20 0 CGADMM O=C(Nc1ccsc1)c1ccc2cccnc2c1[O-] ZINC001149314603 805228640 /nfs/dbraw/zinc/22/86/40/805228640.db2.gz KJQSLGCYDTZBBQ-UHFFFAOYSA-N -1 1 270.313 3.254 20 0 CGADMM CSc1nc(Nc2cc(F)c(C)cc2F)cc(=O)[n-]1 ZINC001249793462 805249383 /nfs/dbraw/zinc/24/93/83/805249383.db2.gz SAOUMKJLMRQCFX-UHFFFAOYSA-N -1 1 283.303 3.234 20 0 CGADMM COc1ccc(N)c(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249961771 805329028 /nfs/dbraw/zinc/32/90/28/805329028.db2.gz DXDHJCYZZDQKPK-UHFFFAOYSA-N -1 1 284.237 3.144 20 0 CGADMM [O-]c1cc(Nc2cccc(CO)c2F)c(F)c(F)c1F ZINC001249962186 805329638 /nfs/dbraw/zinc/32/96/38/805329638.db2.gz BUQLJNVPSYMCDF-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM [O-]c1cc(Nc2cccc3nccnc32)c(F)c(F)c1F ZINC001249963666 805330249 /nfs/dbraw/zinc/33/02/49/805330249.db2.gz RPTMGTPSKUCBEK-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM [O-]c1cc(Nc2ccc(CCO)cc2)c(F)c(F)c1F ZINC001249963168 805331368 /nfs/dbraw/zinc/33/13/68/805331368.db2.gz RXRMMFWZPFIMIG-UHFFFAOYSA-N -1 1 283.249 3.088 20 0 CGADMM COc1cccc(N)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249965708 805333054 /nfs/dbraw/zinc/33/30/54/805333054.db2.gz HWHGCMPNQKMUIP-UHFFFAOYSA-N -1 1 284.237 3.144 20 0 CGADMM CC(C)c1nnc(Nc2cc(Cl)c([O-])cc2F)o1 ZINC001250017795 805370133 /nfs/dbraw/zinc/37/01/33/805370133.db2.gz JXTTTZHDSOBUKD-UHFFFAOYSA-N -1 1 271.679 3.435 20 0 CGADMM CC(C)c1nnc([N-]c2cc(Cl)c(O)cc2F)o1 ZINC001250017795 805370142 /nfs/dbraw/zinc/37/01/42/805370142.db2.gz JXTTTZHDSOBUKD-UHFFFAOYSA-N -1 1 271.679 3.435 20 0 CGADMM Cc1ncc(Nc2cc(Cl)c([O-])cc2F)c(C)n1 ZINC001250020188 805371127 /nfs/dbraw/zinc/37/11/27/805371127.db2.gz NYOBQIMJHDJSCG-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM Cc1ccc(O)c(Nc2cc(Cl)c([O-])cc2F)n1 ZINC001250021009 805371363 /nfs/dbraw/zinc/37/13/63/805371363.db2.gz WFOJRNVYURKCDM-UHFFFAOYSA-N -1 1 268.675 3.337 20 0 CGADMM COc1cc(F)ncc1Nc1cc(Cl)c([O-])cc1F ZINC001250023126 805374267 /nfs/dbraw/zinc/37/42/67/805374267.db2.gz DMXFGKKPDWMSJK-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CC1(C)CCC[C@@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001154475133 805458995 /nfs/dbraw/zinc/45/89/95/805458995.db2.gz AOPMVKHLWILADE-LLVKDONJSA-N -1 1 265.328 3.230 20 0 CGADMM COC(=O)c1cccc(Cc2ccc(Cl)c([O-])c2)c1 ZINC001250192893 805480912 /nfs/dbraw/zinc/48/09/12/805480912.db2.gz YLZXHHJRYLWTSI-UHFFFAOYSA-N -1 1 276.719 3.423 20 0 CGADMM COc1cncc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250228664 805504478 /nfs/dbraw/zinc/50/44/78/805504478.db2.gz JNQXBOHRQFITOB-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM [O-]c1ccc(F)c(Nc2cncnc2Cl)c1Cl ZINC001250228030 805505393 /nfs/dbraw/zinc/50/53/93/805505393.db2.gz HXWCFAKEEHUXQD-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM Cc1cc(Nc2c(F)ccc([O-])c2Cl)cc(=O)o1 ZINC001250229455 805506303 /nfs/dbraw/zinc/50/63/03/805506303.db2.gz JEYGWRWZVKCETR-UHFFFAOYSA-N -1 1 269.659 3.190 20 0 CGADMM COc1cc(CO)ccc1Nc1c(F)ccc([O-])c1Cl ZINC001250232160 805506400 /nfs/dbraw/zinc/50/64/00/805506400.db2.gz BSPRQUUYAGCSJQ-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM Nc1ccccc1-c1ccn(-c2ccc(Cl)c([O-])c2)n1 ZINC001212593933 815081239 /nfs/dbraw/zinc/08/12/39/815081239.db2.gz MAEZXAUXNVJBMU-UHFFFAOYSA-N -1 1 285.734 3.481 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3cnccc3c2)c1 ZINC001256860402 806992310 /nfs/dbraw/zinc/99/23/10/806992310.db2.gz SXOTZGFVHWWVKG-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM COCCOc1ccccc1Nc1c([O-])cc(F)cc1F ZINC001212639222 815090851 /nfs/dbraw/zinc/09/08/51/815090851.db2.gz APJWWDJMVMUNFO-UHFFFAOYSA-N -1 1 295.285 3.439 20 0 CGADMM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC001167580365 807208473 /nfs/dbraw/zinc/20/84/73/807208473.db2.gz JULDJUKSEDWHGA-HOTGVXAUSA-N -1 1 299.345 3.453 20 0 CGADMM CCOc1ccc(-c2nnc(CC(C)(C)C)o2)c([O-])c1 ZINC001257839327 807224985 /nfs/dbraw/zinc/22/49/85/807224985.db2.gz QZNMYZBIZLIBBH-UHFFFAOYSA-N -1 1 276.336 3.430 20 0 CGADMM Cc1cc(-c2noc(-c3ccncc3[O-])n2)c(F)cc1F ZINC001212721545 815113796 /nfs/dbraw/zinc/11/37/96/815113796.db2.gz WIXHGLIVVFBNSU-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1cc(CO)cc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001212753187 815126592 /nfs/dbraw/zinc/12/65/92/815126592.db2.gz DQHZMGVAYPIGCM-UHFFFAOYSA-N -1 1 297.310 3.043 20 0 CGADMM [O-]c1ccc(-c2nnc(CC3CCCC3)o2)c(F)c1 ZINC001258691342 807547118 /nfs/dbraw/zinc/54/71/18/807547118.db2.gz VLFGMVODOIGAGB-UHFFFAOYSA-N -1 1 262.284 3.314 20 0 CGADMM O=C(Nc1ccns1)c1ccc(C(F)(F)F)cc1[O-] ZINC001169449671 807643927 /nfs/dbraw/zinc/64/39/27/807643927.db2.gz XFXCQKKBVJSKDQ-UHFFFAOYSA-N -1 1 288.250 3.120 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1C ZINC001260991882 807708234 /nfs/dbraw/zinc/70/82/34/807708234.db2.gz SBQYYCIDTCNPHB-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CC2CCC1CC2 ZINC001262005606 807803759 /nfs/dbraw/zinc/80/37/59/807803759.db2.gz IBKKWYBBBBRJSZ-UHFFFAOYSA-N -1 1 294.782 3.130 20 0 CGADMM CN(CCOC1CCCCC1)[C@H](C(=O)[O-])c1ccccc1 ZINC001262167532 807831555 /nfs/dbraw/zinc/83/15/55/807831555.db2.gz PTNXIYIRYZXYMH-INIZCTEOSA-N -1 1 291.391 3.093 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1ccc(Cl)o1 ZINC001262640143 807883825 /nfs/dbraw/zinc/88/38/25/807883825.db2.gz VYMRDNUMFNAEOL-UHFFFAOYSA-N -1 1 254.673 3.297 20 0 CGADMM CC(=O)c1csc(C(=O)Nc2cccc(F)c2[O-])c1 ZINC001171632532 808108874 /nfs/dbraw/zinc/10/88/74/808108874.db2.gz FMBFTJLSWLLIMB-UHFFFAOYSA-N -1 1 279.292 3.048 20 0 CGADMM Nc1c(F)cc(Cl)cc1C(=O)Nc1cccc(F)c1[O-] ZINC001171637952 808108948 /nfs/dbraw/zinc/10/89/48/808108948.db2.gz QJRLPQOLQHIHQZ-UHFFFAOYSA-N -1 1 298.676 3.158 20 0 CGADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001173806387 808680256 /nfs/dbraw/zinc/68/02/56/808680256.db2.gz YKEQMSZBKATFKW-UHFFFAOYSA-N -1 1 251.232 3.423 20 0 CGADMM COc1ccccc1Nc1c([O-])cc(F)cc1F ZINC001173841228 808704953 /nfs/dbraw/zinc/70/49/53/808704953.db2.gz SCOWJFMHMQYKLX-UHFFFAOYSA-N -1 1 251.232 3.423 20 0 CGADMM COc1ccc(OC)c(Nc2ccc(F)c(F)c2[O-])c1 ZINC001173920185 808760414 /nfs/dbraw/zinc/76/04/14/808760414.db2.gz KOPBAEXWKJOTJL-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc2c(c1)NCC2 ZINC001213149898 815245265 /nfs/dbraw/zinc/24/52/65/815245265.db2.gz LFZWFJYXIZTQIE-UHFFFAOYSA-N -1 1 294.310 3.210 20 0 CGADMM Cc1nn(C)cc1Nc1c(Cl)ccc([O-])c1Cl ZINC001174337446 808959021 /nfs/dbraw/zinc/95/90/21/808959021.db2.gz SVIWWBQPPGLISY-UHFFFAOYSA-N -1 1 272.135 3.485 20 0 CGADMM Nc1ccc(Nc2c([O-])cc(F)cc2F)c(F)c1 ZINC001174484622 809038884 /nfs/dbraw/zinc/03/88/84/809038884.db2.gz SGYSASIZSVNFAA-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM Cc1cc(O)ccc1Nc1c([O-])cc(F)cc1F ZINC001174561850 809083645 /nfs/dbraw/zinc/08/36/45/809083645.db2.gz DGSJUOKPBLRQTA-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM CCOc1ccc(F)c([N-]c2ncc(C)o2)c1F ZINC001175039548 809248256 /nfs/dbraw/zinc/24/82/56/809248256.db2.gz CWHQXNKIHWHKDL-UHFFFAOYSA-N -1 1 254.236 3.404 20 0 CGADMM CCOc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1C ZINC001175170299 809296145 /nfs/dbraw/zinc/29/61/45/809296145.db2.gz DKICOCVTOYYZQF-UHFFFAOYSA-N -1 1 283.331 3.020 20 0 CGADMM CC(=O)c1ccc([N-]c2noc(C(C)(C)C)n2)cc1F ZINC001175232130 809316878 /nfs/dbraw/zinc/31/68/78/809316878.db2.gz XHXBOTGBKKNUMY-UHFFFAOYSA-N -1 1 277.299 3.452 20 0 CGADMM [O-]c1c(F)cc(Nc2c(F)ccc(O)c2F)cc1F ZINC001175268377 809333063 /nfs/dbraw/zinc/33/30/63/809333063.db2.gz LQTYQYDIZCTZFR-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccc2ncccc2c1 ZINC001175373101 809382902 /nfs/dbraw/zinc/38/29/02/809382902.db2.gz VDPFWHSPESHFCI-UHFFFAOYSA-N -1 1 299.315 3.161 20 0 CGADMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1cccc2ccsc21 ZINC001175377345 809384772 /nfs/dbraw/zinc/38/47/72/809384772.db2.gz KQPCEKQYADRGKQ-UHFFFAOYSA-N -1 1 290.373 3.011 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc2nccnc2c1 ZINC001175490160 809428119 /nfs/dbraw/zinc/42/81/19/809428119.db2.gz BQWWOZYIPFPRSM-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM [O-]c1cc(Nc2ccc3nccnc3c2)cc(F)c1F ZINC001175492007 809429459 /nfs/dbraw/zinc/42/94/59/809429459.db2.gz OZUOMCFBALUONN-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM Cc1ccc2[nH]ncc2c1[N-]c1nnc(C(C)C)o1 ZINC001175526095 809444178 /nfs/dbraw/zinc/44/41/78/809444178.db2.gz USZABCSHBTWVCM-UHFFFAOYSA-N -1 1 257.297 3.121 20 0 CGADMM CC(C)(C)CCCCNC(=O)c1c([O-])cccc1F ZINC001293193840 809445098 /nfs/dbraw/zinc/44/50/98/809445098.db2.gz NWXOSTVGEDYROJ-UHFFFAOYSA-N -1 1 267.344 3.478 20 0 CGADMM Cn1cc2c(cccc2Nc2c([O-])cc(F)cc2F)n1 ZINC001175591072 809465920 /nfs/dbraw/zinc/46/59/20/809465920.db2.gz UOAQKMMZVBDQHJ-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC2(CCC2)C1 ZINC001294844428 809477262 /nfs/dbraw/zinc/47/72/62/809477262.db2.gz ZBXZPBHOCZCRCQ-UHFFFAOYSA-N -1 1 285.265 3.037 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1onc2ccccc21 ZINC001295294907 809485085 /nfs/dbraw/zinc/48/50/85/809485085.db2.gz HGOBMLMKAWQZGT-UHFFFAOYSA-N -1 1 288.690 3.439 20 0 CGADMM CSc1ccc([N-]c2nnc(C(C)C)o2)cn1 ZINC001175651838 809488907 /nfs/dbraw/zinc/48/89/07/809488907.db2.gz UFAJHFGMHNHQDD-UHFFFAOYSA-N -1 1 250.327 3.054 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cn1)c1ccc(F)cc1Cl ZINC001298529096 809533941 /nfs/dbraw/zinc/53/39/41/809533941.db2.gz OMGJLVRJDHEPFJ-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM C/C(=C/C(=O)Nc1cc([O-])c(F)cc1F)c1ccco1 ZINC001298972727 809542318 /nfs/dbraw/zinc/54/23/18/809542318.db2.gz JDBWHKKJCJUXQQ-YVMONPNESA-N -1 1 279.242 3.305 20 0 CGADMM Cc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)c(F)c1 ZINC001298974278 809542459 /nfs/dbraw/zinc/54/24/59/809542459.db2.gz PEZNYNBQFJJYHC-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM Cc1csc(CCC(=O)Nc2cc(F)cc(F)c2[O-])n1 ZINC001299581163 809552003 /nfs/dbraw/zinc/55/20/03/809552003.db2.gz NOYSKQPZGXQMNX-UHFFFAOYSA-N -1 1 298.314 3.007 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc2ccncc2s1 ZINC001300489461 809569053 /nfs/dbraw/zinc/56/90/53/809569053.db2.gz UDOOLHMGZXIQBF-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM CCc1ccc(NC(=O)c2cc(SC)ccc2[O-])nc1 ZINC001303009942 809603390 /nfs/dbraw/zinc/60/33/90/809603390.db2.gz YDZNBDFFRBSOTQ-UHFFFAOYSA-N -1 1 288.372 3.324 20 0 CGADMM COC(=O)c1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176671979 809740172 /nfs/dbraw/zinc/74/01/72/809740172.db2.gz QPNCIOUVXKEBIV-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccc(F)c2CO)c1F ZINC001176670801 809740377 /nfs/dbraw/zinc/74/03/77/809740377.db2.gz LHUJWCHKGNDHFX-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM Cc1cc(C(=O)NCc2ccc([O-])c(Cl)c2)oc1C ZINC001176988851 809773853 /nfs/dbraw/zinc/77/38/53/809773853.db2.gz SENKVLLOFBAAEJ-UHFFFAOYSA-N -1 1 279.723 3.185 20 0 CGADMM O=C(Nc1c[nH]c2ccccc12)c1cccc([O-])c1F ZINC001179051386 809902383 /nfs/dbraw/zinc/90/23/83/809902383.db2.gz GCJJCPHJBIPXCD-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM CC1(C)C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001181298406 810046888 /nfs/dbraw/zinc/04/68/88/810046888.db2.gz FMCOXXWPMSAGAE-MRVPVSSYSA-N -1 1 273.254 3.396 20 0 CGADMM O=C(NCc1cccc(F)c1)Nc1ccc([O-])c(F)c1F ZINC001185825608 810295075 /nfs/dbraw/zinc/29/50/75/810295075.db2.gz GWOYTOBIDFDCPM-UHFFFAOYSA-N -1 1 296.248 3.131 20 0 CGADMM O=C(Nc1nc2ccc(F)cc2o1)c1ccc([O-])c(F)c1 ZINC001186202667 810319890 /nfs/dbraw/zinc/31/98/90/810319890.db2.gz UTOQBDUJMNYFKM-UHFFFAOYSA-N -1 1 290.225 3.064 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)Nc2c(F)cc([O-])cc2F)CC1 ZINC001191826247 810747037 /nfs/dbraw/zinc/74/70/37/810747037.db2.gz YYLOSRAJKYKCOQ-KYZUINATSA-N -1 1 284.306 3.371 20 0 CGADMM O=C(Nc1ccccc1[S-])c1ccc(O)c(F)c1F ZINC001192840239 810823244 /nfs/dbraw/zinc/82/32/44/810823244.db2.gz ODUHLUSNLJEGRZ-UHFFFAOYSA-N -1 1 281.283 3.211 20 0 CGADMM CCCCCOC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001193739579 810945046 /nfs/dbraw/zinc/94/50/46/810945046.db2.gz VGQGITDVGORGRX-UHFFFAOYSA-N -1 1 289.335 3.317 20 0 CGADMM Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])[nH]1 ZINC001193910532 810977707 /nfs/dbraw/zinc/97/77/07/810977707.db2.gz DAKCGPPSCHJYDV-UHFFFAOYSA-N -1 1 284.237 3.300 20 0 CGADMM [O-]c1c(F)cc(Nc2cncnc2Cl)cc1Cl ZINC001214479556 815415113 /nfs/dbraw/zinc/41/51/13/815415113.db2.gz AFPSUXUJHLTKTP-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM Cc1ncnc(C)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482820 815416199 /nfs/dbraw/zinc/41/61/99/815416199.db2.gz PTDRLPGGCZJGLF-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM O=C(Nc1cccc2cc[nH]c21)c1c[n-]c(C(F)(F)F)n1 ZINC001194783437 811131846 /nfs/dbraw/zinc/13/18/46/811131846.db2.gz NQCUBMJORPKIGH-UHFFFAOYSA-N -1 1 294.236 3.162 20 0 CGADMM Cc1cc(O)cc(C)c1NC(=O)c1cc([O-])cnc1Cl ZINC001195305160 811238982 /nfs/dbraw/zinc/23/89/82/811238982.db2.gz AYDPRICREUNHSQ-UHFFFAOYSA-N -1 1 292.722 3.015 20 0 CGADMM [O-]c1c(F)cccc1NC(=S)Nc1cccc(F)c1 ZINC001197640859 811440634 /nfs/dbraw/zinc/44/06/34/811440634.db2.gz JMVUTYGTGLZZDP-UHFFFAOYSA-N -1 1 280.299 3.479 20 0 CGADMM C=CS(=O)(=O)[N-]c1cc(F)ccc1OCC(C)(C)C ZINC001198620201 811526321 /nfs/dbraw/zinc/52/63/21/811526321.db2.gz IUYWXBHJHNDDHO-UHFFFAOYSA-N -1 1 287.356 3.136 20 0 CGADMM [O-]c1cc(Nc2cnn(C(F)F)c2)cc(F)c1F ZINC001201742581 811954052 /nfs/dbraw/zinc/95/40/52/811954052.db2.gz WKFXOISUYKQFOD-UHFFFAOYSA-N -1 1 261.178 3.006 20 0 CGADMM O=C(Nc1ccccc1F)Nc1cc(F)c([O-])cc1F ZINC001202002057 811994623 /nfs/dbraw/zinc/99/46/23/811994623.db2.gz OCVTWKMGKCOYRM-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM Cc1ccccc1NC(=O)Nc1c([O-])cccc1F ZINC001202187016 812033085 /nfs/dbraw/zinc/03/30/85/812033085.db2.gz FIRLSSPJTKAANS-UHFFFAOYSA-N -1 1 260.268 3.484 20 0 CGADMM Cc1ccc(NC(=O)NCC(=O)c2ccc([O-])cc2)c(C)c1 ZINC001202753989 812166391 /nfs/dbraw/zinc/16/63/91/812166391.db2.gz KCXVQHHNQCSCBP-UHFFFAOYSA-N -1 1 298.342 3.013 20 0 CGADMM Cc1cc(O)cc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001215511618 815527500 /nfs/dbraw/zinc/52/75/00/815527500.db2.gz NZVVMBZBMYVRPL-UHFFFAOYSA-N -1 1 283.283 3.256 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(C3OCCO3)cc2)cc1F ZINC001215574153 815538401 /nfs/dbraw/zinc/53/84/01/815538401.db2.gz YPXRKQBTTVSRFF-UHFFFAOYSA-N -1 1 293.269 3.459 20 0 CGADMM c1nn2cccnc2c1[N-]c1cc(-c2ccccc2)no1 ZINC001205945783 813142704 /nfs/dbraw/zinc/14/27/04/813142704.db2.gz IHIPACVHHAJNBM-UHFFFAOYSA-N -1 1 277.287 3.128 20 0 CGADMM Cc1c(Cl)cc(Nc2ccn(C)c(=O)c2)c([O-])c1Cl ZINC001206122231 813207257 /nfs/dbraw/zinc/20/72/57/813207257.db2.gz KLQFKTDPBPZRNA-UHFFFAOYSA-N -1 1 299.157 3.450 20 0 CGADMM Cc1nnc([N-]c2ccc(OC(C)C)cc2F)o1 ZINC001209832570 814155281 /nfs/dbraw/zinc/15/52/81/814155281.db2.gz KIZLIXSOLNVCMY-UHFFFAOYSA-N -1 1 251.261 3.048 20 0 CGADMM Nc1n[nH]c2ccc(Nc3cc([O-])c(Cl)cc3F)cc12 ZINC001209863269 814175191 /nfs/dbraw/zinc/17/51/91/814175191.db2.gz RFTGDMJHWJFFSS-UHFFFAOYSA-N -1 1 292.701 3.387 20 0 CGADMM CO[C@@H](C)c1cccc(-n2[n-]c(=O)c3cc(N)ccc32)c1 ZINC001209950459 814209977 /nfs/dbraw/zinc/20/99/77/814209977.db2.gz ILOXQKUEGYRUMN-JTQLQIEISA-N -1 1 283.331 3.021 20 0 CGADMM [O-]c1ccc(Cl)c(Nc2ccnnc2)c1Cl ZINC001209959970 814214036 /nfs/dbraw/zinc/21/40/36/814214036.db2.gz BTRPRDFMQWIROF-UHFFFAOYSA-N -1 1 256.092 3.233 20 0 CGADMM O=c1ccn(-c2ccc(Nc3ccc(F)cc3O)cc2)[n-]1 ZINC001210021084 814249153 /nfs/dbraw/zinc/24/91/53/814249153.db2.gz TYWGLWXEUZGILT-UHFFFAOYSA-N -1 1 285.278 3.166 20 0 CGADMM [O-]c1c(Cl)cc(Nc2cncc(CO)c2)cc1Cl ZINC001210926823 814677505 /nfs/dbraw/zinc/67/75/05/814677505.db2.gz OKQRPGFRIPBGBZ-UHFFFAOYSA-N -1 1 285.130 3.330 20 0 CGADMM Nc1cncc(Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001210927308 814678066 /nfs/dbraw/zinc/67/80/66/814678066.db2.gz TYRLAJCRRRWSJL-UHFFFAOYSA-N -1 1 270.119 3.420 20 0 CGADMM COC(=O)c1cc(C)sc1[N-]c1nccs1 ZINC001210989504 814700007 /nfs/dbraw/zinc/70/00/07/814700007.db2.gz KHXJIEBEPZPXET-UHFFFAOYSA-N -1 1 254.336 3.043 20 0 CGADMM CC(C)Oc1cc([N-]c2nnc(C(C)C)o2)ccn1 ZINC001215764299 815581357 /nfs/dbraw/zinc/58/13/57/815581357.db2.gz CGLAVLAJRMRWCD-UHFFFAOYSA-N -1 1 262.313 3.119 20 0 CGADMM COc1ncc(Nc2cc([O-])c(F)c(F)c2)cc1Cl ZINC001211048596 814721861 /nfs/dbraw/zinc/72/18/61/814721861.db2.gz ZJGBGRIRVWYAFU-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CNC(=O)c1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242800328 823136391 /nfs/dbraw/zinc/13/63/91/823136391.db2.gz MWQFSRDFNBSRMU-UHFFFAOYSA-N -1 1 261.708 3.072 20 0 CGADMM CN1C(=O)COc2ccc(-c3cccc([O-])c3Cl)cc21 ZINC001242799509 823136401 /nfs/dbraw/zinc/13/64/01/823136401.db2.gz PBDACMQMHMLEIL-UHFFFAOYSA-N -1 1 289.718 3.068 20 0 CGADMM CN1C(=O)NCc2c(-c3cccc([O-])c3Cl)cccc21 ZINC001242801697 823137198 /nfs/dbraw/zinc/13/71/98/823137198.db2.gz DPTJFEBONQNSFO-UHFFFAOYSA-N -1 1 288.734 3.372 20 0 CGADMM O=C1COc2cccc(-c3cccc([O-])c3Cl)c2N1 ZINC001242802030 823137683 /nfs/dbraw/zinc/13/76/83/823137683.db2.gz NEQAOMVLNGCPMQ-UHFFFAOYSA-N -1 1 275.691 3.044 20 0 CGADMM CCC(=O)NCc1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211339431 814882351 /nfs/dbraw/zinc/88/23/51/814882351.db2.gz OPXHQSMTDMGFSS-UHFFFAOYSA-N -1 1 291.297 3.364 20 0 CGADMM CCNC(=O)c1ccccc1-c1cc(F)c([O-])cc1F ZINC001211338737 814882428 /nfs/dbraw/zinc/88/24/28/814882428.db2.gz IRBIQSPFQAKOFJ-UHFFFAOYSA-N -1 1 277.270 3.087 20 0 CGADMM O=C1Nc2ccc(-c3cc(F)c([O-])cc3F)cc2C12CC2 ZINC001211351779 814884626 /nfs/dbraw/zinc/88/46/26/814884626.db2.gz CIMUITOZTLSMAK-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM CCCn1nccc1-c1ccc2[n-]c(C(=O)OCC)nc2c1 ZINC001242846472 823151568 /nfs/dbraw/zinc/15/15/68/823151568.db2.gz FZKSTWSLRUNHGZ-UHFFFAOYSA-N -1 1 298.346 3.013 20 0 CGADMM CCCn1nccc1-c1ccc2nc(C(=O)OCC)[n-]c2c1 ZINC001242846472 823151575 /nfs/dbraw/zinc/15/15/75/823151575.db2.gz FZKSTWSLRUNHGZ-UHFFFAOYSA-N -1 1 298.346 3.013 20 0 CGADMM [O-]c1cc(Nc2ccc(CO)cc2F)cc(F)c1F ZINC001216274079 815764505 /nfs/dbraw/zinc/76/45/05/815764505.db2.gz MMCJYVSNOSMKLG-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM CC(=O)c1cccc(-c2noc(-c3cc([O-])cc(F)c3)n2)c1 ZINC001216340084 815792232 /nfs/dbraw/zinc/79/22/32/815792232.db2.gz RIZWKQLAQIHKND-UHFFFAOYSA-N -1 1 298.273 3.451 20 0 CGADMM OCc1cc(Cl)cc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001216434115 815827751 /nfs/dbraw/zinc/82/77/51/815827751.db2.gz SKCBTLKCLLCWJH-UHFFFAOYSA-N -1 1 291.694 3.219 20 0 CGADMM COc1ccccc1-c1noc(-c2c(C)cc(O)cc2[O-])n1 ZINC001216986217 815905046 /nfs/dbraw/zinc/90/50/46/815905046.db2.gz KOMFWTONCCVYLW-UHFFFAOYSA-N -1 1 298.298 3.132 20 0 CGADMM CCCNc1nc(-c2ccc(F)c([O-])c2)ncc1C ZINC001243051320 823227689 /nfs/dbraw/zinc/22/76/89/823227689.db2.gz PZCLHWQMMQGAQH-UHFFFAOYSA-N -1 1 261.300 3.119 20 0 CGADMM C[C@H](OCCCC[P@](=O)([O-])O)c1ccc(Cl)cc1 ZINC001225023053 816934697 /nfs/dbraw/zinc/93/46/97/816934697.db2.gz TUIPNGZKCHDEQL-JTQLQIEISA-N -1 1 292.699 3.376 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCc2cccnc21 ZINC001225617671 817113965 /nfs/dbraw/zinc/11/39/65/817113965.db2.gz YTAFMWBKKBJZLC-AWEZNQCLSA-N -1 1 269.300 3.056 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001225806330 817184835 /nfs/dbraw/zinc/18/48/35/817184835.db2.gz AHMAZOXVGKKUQS-KRWDZBQOSA-N -1 1 298.338 3.181 20 0 CGADMM CCC[C@@H](C)[C@H](Oc1nc(=O)[n-]cc1C(C)=O)C(C)C ZINC001226240641 817307474 /nfs/dbraw/zinc/30/74/74/817307474.db2.gz NDRIJEOXSJJAIC-ZWNOBZJWSA-N -1 1 280.368 3.224 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H]3CCC[C@@H]3C)c12 ZINC001226490380 817375183 /nfs/dbraw/zinc/37/51/83/817375183.db2.gz QGRYDWDSIZRSJO-CABZTGNLSA-N -1 1 274.316 3.374 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@@H]2CCc3cc(F)ccc32)c1Cl ZINC001227113215 817562292 /nfs/dbraw/zinc/56/22/92/817562292.db2.gz UAHBKXHZPYYDPR-LLVKDONJSA-N -1 1 294.713 3.349 20 0 CGADMM Cc1cc(C(=O)[O-])cc(-c2cccc3nc[nH]c32)c1 ZINC001243180183 823275893 /nfs/dbraw/zinc/27/58/93/823275893.db2.gz YDKQOTVDVJKONW-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CCOC(=O)C[C@@H](C)Oc1cc(Cl)c([O-])cc1Cl ZINC001227640543 817685839 /nfs/dbraw/zinc/68/58/39/817685839.db2.gz DUTXNHMOKSAGLF-SSDOTTSWSA-N -1 1 293.146 3.420 20 0 CGADMM CO[C@H](C)COc1cc(Cl)c([O-])cc1Cl ZINC001227641091 817685855 /nfs/dbraw/zinc/68/58/55/817685855.db2.gz JTBVXXFNMHPNAZ-ZCFIWIBFSA-N -1 1 251.109 3.113 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)nc2ccccc21)C1CCC1 ZINC001228764510 818001709 /nfs/dbraw/zinc/00/17/09/818001709.db2.gz ITWUGQDOLIPEDN-SECBINFHSA-N -1 1 260.362 3.486 20 0 CGADMM [O-]c1cc(CN2CCC[C@H]2c2cnccn2)ccc1Cl ZINC001231733798 818161266 /nfs/dbraw/zinc/16/12/66/818161266.db2.gz HXHITZWEUBIBHF-AWEZNQCLSA-N -1 1 289.766 3.173 20 0 CGADMM O=C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(Cl)c([O-])c1 ZINC001231733739 818162180 /nfs/dbraw/zinc/16/21/80/818162180.db2.gz FOTRVNLBBDMUMT-TXEJJXNPSA-N -1 1 279.767 3.132 20 0 CGADMM O=C1CCN(Cc2cccc([O-])c2Cl)[C@H]2CCCC[C@H]12 ZINC001232784455 818439449 /nfs/dbraw/zinc/43/94/49/818439449.db2.gz MEHGASYCCUZWDG-STQMWFEESA-N -1 1 293.794 3.379 20 0 CGADMM C[C@@]1(F)CCN(Cc2cccc([O-])c2Cl)C[C@@H]1F ZINC001232784876 818439833 /nfs/dbraw/zinc/43/98/33/818439833.db2.gz XFORQBGESOTTMZ-WCQYABFASA-N -1 1 275.726 3.318 20 0 CGADMM CN(Cc1cncs1)Cc1cccc([O-])c1Cl ZINC001232789532 818441962 /nfs/dbraw/zinc/44/19/62/818441962.db2.gz LQGXOXFJZAPBKA-UHFFFAOYSA-N -1 1 268.769 3.134 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@H]2C(F)(F)F)c1F ZINC001232931676 818475320 /nfs/dbraw/zinc/47/53/20/818475320.db2.gz QWEOYOCYIYEEAZ-VIFPVBQESA-N -1 1 281.224 3.197 20 0 CGADMM [O-]c1cc(CN2CC[C@@H](CF)C(F)(F)C2)cc(F)c1F ZINC001232970815 818487108 /nfs/dbraw/zinc/48/71/08/818487108.db2.gz NTENZSTWLJHFES-VIFPVBQESA-N -1 1 295.251 3.097 20 0 CGADMM [O-]c1cc(CN2CCCC(F)(F)[C@H](F)C2)cc(F)c1F ZINC001232971264 818487859 /nfs/dbraw/zinc/48/78/59/818487859.db2.gz ZHYQCNYCKTYRCY-LLVKDONJSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCC[C@H]1c1cccnc1 ZINC001233032846 818505548 /nfs/dbraw/zinc/50/55/48/818505548.db2.gz ULNMAPSYMHDCHD-ZDUSSCGKSA-N -1 1 289.766 3.173 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCCCC(F)(F)C1 ZINC001233032852 818505673 /nfs/dbraw/zinc/50/56/73/818505673.db2.gz UXCKKIOJNZFQHT-UHFFFAOYSA-N -1 1 276.714 3.062 20 0 CGADMM Cn1ccc2c1nccc2-c1ccc([O-])c(F)c1F ZINC001243340563 823354728 /nfs/dbraw/zinc/35/47/28/823354728.db2.gz DFMBGSMIHWNKQF-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM [O-]c1ccc(-c2ccc3nccnc3c2)c(F)c1F ZINC001243342468 823356717 /nfs/dbraw/zinc/35/67/17/823356717.db2.gz OLRBGFXQLBKLGL-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1cc(OC)c(-c2ccc([O-])c(F)c2F)c(OC)c1 ZINC001243342572 823357124 /nfs/dbraw/zinc/35/71/24/823357124.db2.gz IZZRZNHIIYMVRA-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM [O-]c1ccc(-c2cc(F)c3nccnc3c2)c(F)c1F ZINC001243342225 823357741 /nfs/dbraw/zinc/35/77/41/823357741.db2.gz BCXMZRXZJJHVQE-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM COC(=O)CCc1ccccc1-c1ccc([O-])c(F)c1F ZINC001243342990 823358884 /nfs/dbraw/zinc/35/88/84/823358884.db2.gz UBSBDOYKUYGFRW-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM CN1CCOc2ccc(-c3ccc([O-])c(F)c3F)cc21 ZINC001243344291 823359540 /nfs/dbraw/zinc/35/95/40/823359540.db2.gz CPWVPBNCUIHHGK-UHFFFAOYSA-N -1 1 277.270 3.166 20 0 CGADMM CCCCC[C@H](C)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234606999 818891436 /nfs/dbraw/zinc/89/14/36/818891436.db2.gz VDRLFABPORTAFZ-VIFPVBQESA-N -1 1 285.315 3.061 20 0 CGADMM CC(=O)[C@H](Oc1nc2sccc2[n-]1)c1ccccc1 ZINC001234848265 818932070 /nfs/dbraw/zinc/93/20/70/818932070.db2.gz OOZWHNYNOXUVJP-LBPRGKRZSA-N -1 1 272.329 3.334 20 0 CGADMM CN(C)Cc1cc(-c2ccc(C(=O)[O-])cc2)ccc1F ZINC001236064758 819296736 /nfs/dbraw/zinc/29/67/36/819296736.db2.gz USCQFHMZTRTTFA-UHFFFAOYSA-N -1 1 273.307 3.253 20 0 CGADMM CCOC(=O)c1ccnc(-c2c(F)ccc(C)c2[O-])c1C ZINC001236390810 819447054 /nfs/dbraw/zinc/44/70/54/819447054.db2.gz KHJAKSRGDQMCMM-UHFFFAOYSA-N -1 1 289.306 3.387 20 0 CGADMM Cc1ccc(F)c(-c2ccc(OC(C)C)nn2)c1[O-] ZINC001236392582 819449123 /nfs/dbraw/zinc/44/91/23/819449123.db2.gz UBLYMGQWQRCBKA-UHFFFAOYSA-N -1 1 262.284 3.084 20 0 CGADMM Cc1ccc(F)c(-c2ccc(-c3ncccn3)cn2)c1[O-] ZINC001236402767 819452426 /nfs/dbraw/zinc/45/24/26/819452426.db2.gz FEBDKHGXROSIAT-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM Cn1c(=O)ccc2cc(-c3cc(F)cc(F)c3[O-])ccc21 ZINC001243505556 823423294 /nfs/dbraw/zinc/42/32/94/823423294.db2.gz UCYPRWQICXIWII-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM Cn1cnc(-c2ccc(-c3cc(F)cc(F)c3[O-])cc2)n1 ZINC001243506487 823424098 /nfs/dbraw/zinc/42/40/98/823424098.db2.gz WWAXMDZHMPJDAU-UHFFFAOYSA-N -1 1 287.269 3.133 20 0 CGADMM [O-]c1c(CN2CCC[C@@H]3C[C@@H]32)cc(Cl)nc1Cl ZINC001237521576 819770308 /nfs/dbraw/zinc/77/03/08/819770308.db2.gz BFCFBWIFLFXEEU-APPZFPTMSA-N -1 1 273.163 3.078 20 0 CGADMM CSc1cnc(-c2ccc(Cl)c([O-])c2)nc1 ZINC001243576848 823451044 /nfs/dbraw/zinc/45/10/44/823451044.db2.gz VGVMZZXOUCCOTH-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM COC(=O)c1cc(-c2ccc(Cl)c([O-])c2)ncc1F ZINC001243576528 823451453 /nfs/dbraw/zinc/45/14/53/823451453.db2.gz JVZZUHQYQPYINF-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM CCOC(=O)Cc1cccc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243584436 823455652 /nfs/dbraw/zinc/45/56/52/823455652.db2.gz SEPCVHJGKUDBOT-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM [O-]c1cc(-c2cnc(OC3CCC3)nc2)ccc1Cl ZINC001243583847 823455742 /nfs/dbraw/zinc/45/57/42/823455742.db2.gz MHKHGDVSAGZBLC-UHFFFAOYSA-N -1 1 276.723 3.434 20 0 CGADMM COc1cc(OC)nc(-c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001243609913 823466152 /nfs/dbraw/zinc/46/61/52/823466152.db2.gz XMVHWQFFEGKZTR-UHFFFAOYSA-N -1 1 299.248 3.490 20 0 CGADMM Nc1cc(C(F)(F)F)cnc1-c1cc(F)ccc1[O-] ZINC001240695290 821250721 /nfs/dbraw/zinc/25/07/21/821250721.db2.gz GWLVIUNTGKENLT-UHFFFAOYSA-N -1 1 272.201 3.194 20 0 CGADMM CC(C)OC(=O)c1cccnc1-c1cc(F)ccc1[O-] ZINC001240696601 821252626 /nfs/dbraw/zinc/25/26/26/821252626.db2.gz SVDNQTJYRXIPIQ-UHFFFAOYSA-N -1 1 275.279 3.159 20 0 CGADMM CC[C@@H](C)Oc1nccnc1-c1cc(F)ccc1[O-] ZINC001240696516 821252774 /nfs/dbraw/zinc/25/27/74/821252774.db2.gz QNHMOQWPUKXSSY-SECBINFHSA-N -1 1 262.284 3.166 20 0 CGADMM CSc1cc(C)nc(-c2ccc([O-])c(F)c2)n1 ZINC001240782011 821321481 /nfs/dbraw/zinc/32/14/81/821321481.db2.gz OFLGYKGCLZNZCG-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM COCc1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241122626 821578822 /nfs/dbraw/zinc/57/88/22/821578822.db2.gz IOSYAIIAMGBIES-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM COc1ncc(C)cc1-c1c(F)cc([O-])cc1F ZINC001241123289 821579998 /nfs/dbraw/zinc/57/99/98/821579998.db2.gz ZLYOLFZOQQVISE-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CCOc1ncc(-c2c(F)cc([O-])cc2F)cc1OC ZINC001241124145 821581695 /nfs/dbraw/zinc/58/16/95/821581695.db2.gz BRKBBSDPTOJIDB-UHFFFAOYSA-N -1 1 281.258 3.140 20 0 CGADMM Cc1nc2ccc(-c3ccc(F)c(C(=O)[O-])c3)cc2[nH]1 ZINC001241245716 821666688 /nfs/dbraw/zinc/66/66/88/821666688.db2.gz OTULRXIEDFPRDR-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM Cc1cc2nc(C)nc(-c3c(F)ccc([O-])c3F)c2[nH]1 ZINC001241288974 821706907 /nfs/dbraw/zinc/70/69/07/821706907.db2.gz DTYHZFGYGCNQTN-UHFFFAOYSA-N -1 1 275.258 3.226 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3ncsc3n2)c1F ZINC001241289078 821706998 /nfs/dbraw/zinc/70/69/98/821706998.db2.gz JXQLGXVKAPWBBY-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM Cc1nc(-c2c(F)ccc([O-])c2F)cc(C(F)(F)F)n1 ZINC001241291212 821708264 /nfs/dbraw/zinc/70/82/64/821708264.db2.gz JKVHWKAPLVADFA-UHFFFAOYSA-N -1 1 290.191 3.455 20 0 CGADMM COc1ccc2cnc(-c3c(F)ccc([O-])c3F)nc2c1 ZINC001241291541 821708272 /nfs/dbraw/zinc/70/82/72/821708272.db2.gz OWBCHUDGKUWPMX-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM [O-]c1ccc(F)c(-c2ncc(F)c3[nH]ccc32)c1F ZINC001241295239 821714082 /nfs/dbraw/zinc/71/40/82/821714082.db2.gz KKNZZOFWTHOGMY-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM O=[P@@]([O-])(O)c1ccc(-c2cccc3ccsc32)cc1 ZINC001241405114 821801861 /nfs/dbraw/zinc/80/18/61/821801861.db2.gz XHUJWGJVXNLAIK-UHFFFAOYSA-N -1 1 290.280 3.371 20 0 CGADMM O=[P@]([O-])(O)c1ccc(-c2cccc3ccsc32)cc1 ZINC001241405114 821801870 /nfs/dbraw/zinc/80/18/70/821801870.db2.gz XHUJWGJVXNLAIK-UHFFFAOYSA-N -1 1 290.280 3.371 20 0 CGADMM Cc1cnc(C)c(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242126449 822887253 /nfs/dbraw/zinc/88/72/53/822887253.db2.gz LJOPUYKTZRQRKG-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM Cn1cnc2cnc(-c3cc(C(F)(F)F)ccc3[O-])cc21 ZINC001242131436 822888493 /nfs/dbraw/zinc/88/84/93/822888493.db2.gz JVFXXYZCIKHDJN-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM [O-]c1ccc(-c2ncc(CF)cn2)cc1C(F)(F)F ZINC001242157066 822898239 /nfs/dbraw/zinc/89/82/39/822898239.db2.gz BTHHDUWPZRMJRB-UHFFFAOYSA-N -1 1 272.201 3.338 20 0 CGADMM [O-]c1ccc(-c2cccn3ncnc23)cc1C(F)(F)F ZINC001242157763 822899004 /nfs/dbraw/zinc/89/90/04/822899004.db2.gz MJJYEKXPISSLEE-UHFFFAOYSA-N -1 1 279.221 3.121 20 0 CGADMM Cc1cc(C(=O)N(C)C)ncc1-c1cccc(Cl)c1[O-] ZINC001242367528 822969470 /nfs/dbraw/zinc/96/94/70/822969470.db2.gz OPFMNVHINQWXTM-UHFFFAOYSA-N -1 1 290.750 3.118 20 0 CGADMM COC(=O)c1cnc(C)c(-c2cccc(Cl)c2[O-])c1 ZINC001242368265 822970329 /nfs/dbraw/zinc/97/03/29/822970329.db2.gz WPDFHWKXNXGETR-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Cc1nc2cc(-c3cccc(C(=O)[O-])c3F)ccc2[nH]1 ZINC001242380890 822974748 /nfs/dbraw/zinc/97/47/48/822974748.db2.gz XIDRWUBGXAQBPX-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM C[C@H]([N-]C(=O)C(C)(F)F)c1ccc(F)cc1OC(F)F ZINC001342919300 936483833 /nfs/dbraw/zinc/48/38/33/936483833.db2.gz HQXYIRRORLVLGE-LURJTMIESA-N -1 1 297.223 3.260 20 0 CGADMM CCc1ccc(C(=O)Nc2nc3ccccc3[nH]2)c([O-])c1 ZINC001440667537 937333183 /nfs/dbraw/zinc/33/31/83/937333183.db2.gz UPVLPUHMUVAJJW-UHFFFAOYSA-N -1 1 281.315 3.083 20 0 CGADMM O=C(NCCC1=CCCCC1)c1cccc([O-])c1F ZINC001440755621 937333726 /nfs/dbraw/zinc/33/37/26/937333726.db2.gz IEDKBSWODARKNX-UHFFFAOYSA-N -1 1 263.312 3.152 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C1CCC1)c1ncccc1[O-] ZINC001443595199 937347954 /nfs/dbraw/zinc/34/79/54/937347954.db2.gz BTFIXKDEKXQFHO-HNNXBMFYSA-N -1 1 282.343 3.058 20 0 CGADMM C[C@H]1c2ccccc2CCN1C(=O)c1cccc([O-])c1F ZINC001445390128 937357060 /nfs/dbraw/zinc/35/70/60/937357060.db2.gz HQTKJHOINYGTHE-NSHDSACASA-N -1 1 285.318 3.291 20 0 CGADMM O=C(Nc1ccccc1OCCF)c1cccc([O-])c1F ZINC001450060854 937383023 /nfs/dbraw/zinc/38/30/23/937383023.db2.gz CGGCKYPMOOVSKE-UHFFFAOYSA-N -1 1 293.269 3.132 20 0 CGADMM CCC1(NC(=O)c2cc(C)cc(C=O)c2[O-])CCCCC1 ZINC001449900963 937381599 /nfs/dbraw/zinc/38/15/99/937381599.db2.gz LRHIAKPEPLECLD-UHFFFAOYSA-N -1 1 289.375 3.356 20 0 CGADMM COCc1ccccc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001451743754 937391853 /nfs/dbraw/zinc/39/18/53/937391853.db2.gz NYZMFCZNWJWANG-UHFFFAOYSA-N -1 1 293.269 3.069 20 0 CGADMM CCCc1ncc(C(=O)Nc2cc(F)cc(F)c2[O-])s1 ZINC001451746977 937391884 /nfs/dbraw/zinc/39/18/84/937391884.db2.gz TYWOWGYFBNEHQR-UHFFFAOYSA-N -1 1 298.314 3.332 20 0 CGADMM CCC(C)(C)CC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001451748425 937392116 /nfs/dbraw/zinc/39/21/16/937392116.db2.gz XCHFHIIWXWLZNA-UHFFFAOYSA-N -1 1 257.280 3.435 20 0 CGADMM Cc1ccncc1/C=C\C(=O)Nc1cc([O-])c(F)cc1F ZINC001450901791 937387760 /nfs/dbraw/zinc/38/77/60/937387760.db2.gz VUKAOPZVRMXDPZ-IHWYPQMZSA-N -1 1 290.269 3.026 20 0 CGADMM COCC1(NC(=O)c2ccc3ccccc3c2[O-])CCCC1 ZINC001453327065 937401757 /nfs/dbraw/zinc/40/17/57/937401757.db2.gz AOTRNZLZXPUJPC-UHFFFAOYSA-N -1 1 299.370 3.234 20 0 CGADMM CCC(C)(C)CCNC(=O)c1ccc([O-])c(F)c1 ZINC001454613766 937410325 /nfs/dbraw/zinc/41/03/25/937410325.db2.gz DUDNMGZHXAOUSX-UHFFFAOYSA-N -1 1 253.317 3.087 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CSc2ccccc21 ZINC001454758813 937411933 /nfs/dbraw/zinc/41/19/33/937411933.db2.gz RSOVJADWKUWLIV-JTQLQIEISA-N -1 1 289.331 3.359 20 0 CGADMM Cc1cccc(F)c1NC(=O)c1cc(F)ccc1[O-] ZINC000225046807 931949596 /nfs/dbraw/zinc/94/95/96/931949596.db2.gz KJSHVBNNHVDWTE-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@H]1CCC[C@@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229129720 932101485 /nfs/dbraw/zinc/10/14/85/932101485.db2.gz PYDVJMCHCHDUQV-CABZTGNLSA-N -1 1 260.289 3.066 20 0 CGADMM C[C@H]1CCCC[C@@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134718 932103263 /nfs/dbraw/zinc/10/32/63/932103263.db2.gz JGESCUTYLUARAS-GWCFXTLKSA-N -1 1 274.316 3.456 20 0 CGADMM COc1c(O[C@@H](C)c2ccc(C)cc2C)nc(C)[n-]c1=O ZINC001230020941 932523700 /nfs/dbraw/zinc/52/37/00/932523700.db2.gz KALNCEDXSXLAEV-NSHDSACASA-N -1 1 288.347 3.256 20 0 CGADMM COC(=O)c1c[n-]c(O[C@H]2CC[C@H](C(C)(C)C)CC2)n1 ZINC001230282232 932550963 /nfs/dbraw/zinc/55/09/63/932550963.db2.gz RUUKWKUKXREDGL-XYPYZODXSA-N -1 1 280.368 3.180 20 0 CGADMM COC(=O)c1c[n-]c(O[C@H](C)c2cc(Cl)ccc2C)n1 ZINC001230281948 932551228 /nfs/dbraw/zinc/55/12/28/932551228.db2.gz MAEHVHDFUHGNOE-SECBINFHSA-N -1 1 294.738 3.298 20 0 CGADMM CCC[C@@H](C)[C@H](Oc1nc(C(=O)OC)c[n-]1)C(C)C ZINC001230282022 932551523 /nfs/dbraw/zinc/55/15/23/932551523.db2.gz NRLMLMHWXQZEQX-ZYHUDNBSSA-N -1 1 268.357 3.036 20 0 CGADMM C[C@@H](Oc1nc2c(cc(Cl)nc2Cl)[n-]1)C1CC1 ZINC001231044565 932664514 /nfs/dbraw/zinc/66/45/14/932664514.db2.gz KRCHZJAFCLQGBF-RXMQYKEDSA-N -1 1 272.135 3.442 20 0 CGADMM C[C@@H]1CCCCC[N@@H+]1Cc1ncc(Br)cc1[O-] ZINC001462113824 937618592 /nfs/dbraw/zinc/61/85/92/937618592.db2.gz CDCFVUXDCALBNK-SNVBAGLBSA-N -1 1 299.212 3.314 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1Cc2cccc(Cl)c2C1 ZINC001304639285 932852212 /nfs/dbraw/zinc/85/22/12/932852212.db2.gz PGLARHJMCGRWMJ-UHFFFAOYSA-N -1 1 291.709 3.341 20 0 CGADMM [O-]c1ccc(CN[C@@H]2COCc3ccccc32)c(F)c1F ZINC001462360404 937635744 /nfs/dbraw/zinc/63/57/44/937635744.db2.gz SUXGGUKNKWROST-CYBMUJFWSA-N -1 1 291.297 3.032 20 0 CGADMM CC1(C)C(C(=O)Nc2nc(Cl)ccc2[O-])C1(C)C ZINC001306825655 932888137 /nfs/dbraw/zinc/88/81/37/932888137.db2.gz GHGVSOFQLVTDGU-UHFFFAOYSA-N -1 1 268.744 3.061 20 0 CGADMM O=C(Nc1ccc(Cl)cc1)c1ccc(F)c([O-])c1 ZINC001463670827 937678998 /nfs/dbraw/zinc/67/89/98/937678998.db2.gz AZXBLNUKWKPILY-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM Cc1cccc2c1CCN(C(=O)c1ccc([O-])cc1F)C2 ZINC001464972204 937697199 /nfs/dbraw/zinc/69/71/99/937697199.db2.gz KWGPQTUGSKYGDI-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM O=C(N[C@@H](CC1CCC1)c1ccccc1)c1ncccc1[O-] ZINC001466499501 937709980 /nfs/dbraw/zinc/70/99/80/937709980.db2.gz LHDKSCSQNVSQKD-HNNXBMFYSA-N -1 1 296.370 3.449 20 0 CGADMM CN(CCC(F)(F)F)C(=O)c1c([O-])cccc1Cl ZINC001319836656 933940359 /nfs/dbraw/zinc/94/03/59/933940359.db2.gz VIBPCWZJLPVRFB-UHFFFAOYSA-N -1 1 281.661 3.070 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ncoc2C2CC2)n1 ZINC001319842706 933943308 /nfs/dbraw/zinc/94/33/08/933943308.db2.gz PKKOOYANDCAFAK-UHFFFAOYSA-N -1 1 291.376 3.292 20 0 CGADMM CC[C@@H](C)[C@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001469159115 937735881 /nfs/dbraw/zinc/73/58/81/937735881.db2.gz AIUKUZOFLSSRHT-SFYZADRCSA-N -1 1 257.280 3.291 20 0 CGADMM Cc1cc(NC(=O)c2ccc(F)c([O-])c2)cs1 ZINC001470632614 937755767 /nfs/dbraw/zinc/75/57/67/937755767.db2.gz FXOLPQIYYRTNJT-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM C[C@@H](C(=O)Nc1cccc(F)c1[O-])c1cccc(F)c1 ZINC001471166986 937762077 /nfs/dbraw/zinc/76/20/77/937762077.db2.gz VNCJPMRYYYNWDU-SECBINFHSA-N -1 1 277.270 3.413 20 0 CGADMM O=C(CCc1cccc(F)c1F)Nc1cccc(F)c1[O-] ZINC001471166954 937762133 /nfs/dbraw/zinc/76/21/33/937762133.db2.gz UWLRZVJLGDOCPC-UHFFFAOYSA-N -1 1 295.260 3.381 20 0 CGADMM CC1(CC(=O)NCCc2c(F)cc([O-])cc2F)CCCC1 ZINC001472042094 937772116 /nfs/dbraw/zinc/77/21/16/937772116.db2.gz ZVZUHKCXAWXZCT-UHFFFAOYSA-N -1 1 297.345 3.300 20 0 CGADMM CC/C=C(\F)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001472193292 937773856 /nfs/dbraw/zinc/77/38/56/937773856.db2.gz UQZQGOAOPPWPIF-CLTKARDFSA-N -1 1 261.655 3.387 20 0 CGADMM CC1(C)CN(C(=O)c2ccc(F)c([O-])c2)[C@@H]2CCC[C@@H]21 ZINC001472248985 937774410 /nfs/dbraw/zinc/77/44/10/937774410.db2.gz ZIGPLZSADHCZGK-WCQYABFASA-N -1 1 277.339 3.182 20 0 CGADMM O=C(Nc1cc(F)ccn1)c1cc2ccccc2cc1[O-] ZINC001472596579 937778199 /nfs/dbraw/zinc/77/81/99/937778199.db2.gz PWENHDBPHIBTFX-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(NC/C=C/C1CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001326368337 934973896 /nfs/dbraw/zinc/97/38/96/934973896.db2.gz AFZDCYUIPUEMFB-OWOJBTEDSA-N -1 1 285.265 3.107 20 0 CGADMM CCc1nc(SCc2nc(C)sc2C)[n-]c(=O)c1C ZINC001330284359 935283326 /nfs/dbraw/zinc/28/33/26/935283326.db2.gz QQZUGLOLIKXMTK-UHFFFAOYSA-N -1 1 295.433 3.419 20 0 CGADMM CN(CC(=O)C(C)(C)C)C(=O)c1ccc2ccccc2c1[O-] ZINC001336355730 936190164 /nfs/dbraw/zinc/19/01/64/936190164.db2.gz IGJBWEYBCIXQQN-UHFFFAOYSA-N -1 1 299.370 3.233 20 0 CGADMM CN(C)c1ccc(NCc2ccc([O-])c(F)c2F)cc1F ZINC001474677062 937874551 /nfs/dbraw/zinc/87/45/51/937874551.db2.gz BQPGHACMUPBTEE-UHFFFAOYSA-N -1 1 296.292 3.488 20 0 CGADMM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)CCC1CCCC1 ZINC001475524803 937884383 /nfs/dbraw/zinc/88/43/83/937884383.db2.gz SECFXUWHYRLJAC-UHFFFAOYSA-N -1 1 297.411 3.168 20 0 CGADMM Cc1cnc(C(=O)NC(C)(C)CCc2ccccc2)c([O-])c1 ZINC001546294049 937984694 /nfs/dbraw/zinc/98/46/94/937984694.db2.gz CCJPLSAFPAZXRB-UHFFFAOYSA-N -1 1 298.386 3.237 20 0 CGADMM O=C([N-]c1nnc(C(F)F)s1)c1ccc(C(F)F)o1 ZINC001528023002 938064901 /nfs/dbraw/zinc/06/49/01/938064901.db2.gz WFHJNXSLOKYPQY-UHFFFAOYSA-N -1 1 295.217 3.259 20 0 CGADMM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc([O-])cn1 ZINC001540800474 938133867 /nfs/dbraw/zinc/13/38/67/938133867.db2.gz SEIWLGHFJXFAMW-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM Cc1ccc([C@H](C)NC(=O)c2cccc([O-])c2F)cc1 ZINC001540787002 938133912 /nfs/dbraw/zinc/13/39/12/938133912.db2.gz RBTNKNMHQNJWDY-NSHDSACASA-N -1 1 273.307 3.331 20 0 CGADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(F)c([O-])c1 ZINC001543531828 938140092 /nfs/dbraw/zinc/14/00/92/938140092.db2.gz OWRWBKHWKOVTRX-NTZNESFSSA-N -1 1 277.339 3.230 20 0 CGADMM CC(C)[C@@H]1CCCCN1C(=O)c1cccc([O-])c1F ZINC001543545510 938140365 /nfs/dbraw/zinc/14/03/65/938140365.db2.gz MEQJZILJFVZPIM-LBPRGKRZSA-N -1 1 265.328 3.182 20 0 CGADMM CC(C)(C)[C@@H](NC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC001544283962 938144330 /nfs/dbraw/zinc/14/43/30/938144330.db2.gz UVUPGXNCOZOQKJ-LLVKDONJSA-N -1 1 293.260 3.238 20 0 CGADMM CCSCc1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC001544367776 938144798 /nfs/dbraw/zinc/14/47/98/938144798.db2.gz JQWOXSFEIWNDCL-UHFFFAOYSA-N -1 1 288.372 3.293 20 0 CGADMM Cc1ccnc(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)c1[O-] ZINC001550370240 938166453 /nfs/dbraw/zinc/16/64/53/938166453.db2.gz DAJGYJKABKBTND-HNNXBMFYSA-N -1 1 288.391 3.136 20 0 CGADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])cn2)CC1 ZINC001556281539 938203058 /nfs/dbraw/zinc/20/30/58/938203058.db2.gz KNGCCSORFLAVRA-CHWSQXEVSA-N -1 1 276.380 3.122 20 0 CGADMM CC(C)c1[nH]ccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001556919581 938206566 /nfs/dbraw/zinc/20/65/66/938206566.db2.gz HDXLXTXGEWNIJN-UHFFFAOYSA-N -1 1 280.274 3.374 20 0 CGADMM CCc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001556919598 938206576 /nfs/dbraw/zinc/20/65/76/938206576.db2.gz HYFCOTOBAWBEOZ-UHFFFAOYSA-N -1 1 277.270 3.485 20 0 CGADMM C/C(=C\c1ccco1)C(=O)Nc1c([O-])cccc1F ZINC001557409139 938209905 /nfs/dbraw/zinc/20/99/05/938209905.db2.gz FIVHGPIYGWYWND-CMDGGOBGSA-N -1 1 261.252 3.166 20 0 CGADMM CCn1cc(Cl)cc1C(=O)Nc1c([O-])cccc1F ZINC001557409145 938209930 /nfs/dbraw/zinc/20/99/30/938209930.db2.gz FPFOYUNDQHVEOI-UHFFFAOYSA-N -1 1 282.702 3.258 20 0 CGADMM O=C([O-])C[C@@H]1CCCCN1Cc1cccc(F)c1Cl ZINC000166456255 949446734 /nfs/dbraw/zinc/44/67/34/949446734.db2.gz SEFQJELOWPXCCO-NSHDSACASA-N -1 1 285.746 3.308 20 0 CGADMM CCc1cccc(F)c1CNCc1ccc(C(=O)[O-])cc1 ZINC001593642196 953655583 /nfs/dbraw/zinc/65/55/83/953655583.db2.gz JJIRQAITZPLCHJ-UHFFFAOYSA-N -1 1 287.334 3.376 20 0 CGADMM C[C@@H](c1cc(F)ccc1F)N1CCC(CC(=O)[O-])CC1 ZINC000093682093 958256477 /nfs/dbraw/zinc/25/64/77/958256477.db2.gz QSFHHLBHQDUXJI-JTQLQIEISA-N -1 1 283.318 3.213 20 0 CGADMM C[C@@H](NCc1cccc(C(=O)[O-])n1)c1cccc(Cl)c1 ZINC000235217158 960397876 /nfs/dbraw/zinc/39/78/76/960397876.db2.gz CLDZVOORPHZRFZ-SNVBAGLBSA-N -1 1 290.750 3.284 20 0 CGADMM CCC[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccccn1 ZINC001565638496 960800887 /nfs/dbraw/zinc/80/08/87/960800887.db2.gz ADHHSHQUVLCJIR-OAHLLOKOSA-N -1 1 288.322 3.198 20 0 CGADMM C[C@@H]1CC(NC(=O)c2cccc([O-])c2F)C[C@@H](C)C1 ZINC001565824746 960842829 /nfs/dbraw/zinc/84/28/29/960842829.db2.gz PWQLXMQOSUXSOI-UWVGGRQHSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(Nc1nc2ccsc2s1)c1ccc([O-])cc1F ZINC001565849011 960845107 /nfs/dbraw/zinc/84/51/07/960845107.db2.gz PKOCXIHWYKSRAO-UHFFFAOYSA-N -1 1 294.332 3.455 20 0 CGADMM Cc1cscc1NC(=O)c1cccc([O-])c1F ZINC001566548101 960954126 /nfs/dbraw/zinc/95/41/26/960954126.db2.gz VMCVCALGQFYTEF-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc([O-])cn1 ZINC001570015514 961883230 /nfs/dbraw/zinc/88/32/30/961883230.db2.gz ZIDDSISOBQQHPZ-DVOMOZLQSA-N -1 1 296.370 3.194 20 0 CGADMM O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1cc(F)ccc1[O-] ZINC001570329225 961943940 /nfs/dbraw/zinc/94/39/40/961943940.db2.gz PTHGDZJMEVPYDL-DGCLKSJQSA-N -1 1 277.339 3.087 20 0 CGADMM C[C@H](NC(=O)c1cccc([O-])c1F)[C@H]1CC2CCC1CC2 ZINC001583398127 962804324 /nfs/dbraw/zinc/80/43/24/962804324.db2.gz OXEUCHYEJRDSPZ-DLOFLVKXSA-N -1 1 291.366 3.476 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NC(C)(C)c2ccccc2)c1 ZINC001583880632 962861977 /nfs/dbraw/zinc/86/19/77/962861977.db2.gz SHWRAGUHZIRIAV-UHFFFAOYSA-N -1 1 297.354 3.178 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001583971784 962874737 /nfs/dbraw/zinc/87/47/37/962874737.db2.gz KQZQURRRXMUZIE-HLTSFMKQSA-N -1 1 285.265 3.151 20 0 CGADMM C/C=C/[C@@H](O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001585193318 962997790 /nfs/dbraw/zinc/99/77/90/962997790.db2.gz UGQAQYUIAZIRSV-ADQTWTKMSA-N -1 1 291.734 3.074 20 0 CGADMM Cc1cnc(C(=O)NCC[C@H]2CCCC2(C)C)c([O-])c1 ZINC001585391475 963008679 /nfs/dbraw/zinc/00/86/79/963008679.db2.gz KWRPUTOMZCAXBX-GFCCVEGCSA-N -1 1 276.380 3.042 20 0 CGADMM Cc1nocc1[N-]C(=O)c1nc(-c2cccs2)oc1C ZINC001586345406 963098929 /nfs/dbraw/zinc/09/89/29/963098929.db2.gz KUDYWIZLHYYKCR-UHFFFAOYSA-N -1 1 289.316 3.260 20 0 CGADMM CC[C@@](C)(NC(=O)c1cccc([O-])c1F)c1nccs1 ZINC001586525458 963111214 /nfs/dbraw/zinc/11/12/14/963111214.db2.gz RTZXCTNAXYEEFB-CQSZACIVSA-N -1 1 294.351 3.043 20 0 CGADMM CC[C@@H]1CCC[C@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001586481014 963112100 /nfs/dbraw/zinc/11/21/00/963112100.db2.gz PRFAHOIKWZLUBT-PWSUYJOCSA-N -1 1 265.328 3.230 20 0 CGADMM CC(C)CCn1nccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001587522601 963204001 /nfs/dbraw/zinc/20/40/01/963204001.db2.gz RCFFCROGYRZKLM-UHFFFAOYSA-N -1 1 291.326 3.026 20 0 CGADMM O=C(NC1(Cc2ccccc2)CCC1)c1cccc([O-])c1F ZINC001587769820 963220364 /nfs/dbraw/zinc/22/03/64/963220364.db2.gz ICMZRSLSWZUJIH-UHFFFAOYSA-N -1 1 299.345 3.427 20 0 CGADMM Cc1cc(NCc2ccc3nc[nH]c3c2)ccc1C(=O)[O-] ZINC001605213554 972958491 /nfs/dbraw/zinc/95/84/91/972958491.db2.gz TWGMEWSLUNEFNB-UHFFFAOYSA-N -1 1 281.315 3.182 20 0 CGADMM CC[C@H](C)[C@H](C)N(Cc1ncc(C(=O)[O-])s1)C1CC1 ZINC001594880618 982230245 /nfs/dbraw/zinc/23/02/45/982230245.db2.gz CKBZEPVPIZASLB-UWVGGRQHSA-N -1 1 282.409 3.240 20 0 CGADMM CCCCCN(CCO)Cc1cc(C(=O)[O-])ccc1Cl ZINC001595715733 982315488 /nfs/dbraw/zinc/31/54/88/982315488.db2.gz AVJNINRGNUUTGN-UHFFFAOYSA-N -1 1 299.798 3.023 20 0 CGADMM CCN(CCC(=O)[O-])Cc1cc2ccccc2nc1Cl ZINC001596314722 983745927 /nfs/dbraw/zinc/74/59/27/983745927.db2.gz FWAORXUPESUJQA-UHFFFAOYSA-N -1 1 292.766 3.185 20 0 CGADMM Cc1[nH]c(CN2CC([C@@H]3CCC[C@@H](C)C3)C2)cc1C(=O)[O-] ZINC001599963157 985834744 /nfs/dbraw/zinc/83/47/44/985834744.db2.gz YGEOJGIBZDPDEW-DGCLKSJQSA-N -1 1 290.407 3.279 20 0 CGADMM Cc1[nH]c(CN2CC([C@H]3CCC[C@@H](C)C3)C2)cc1C(=O)[O-] ZINC001599963160 985835211 /nfs/dbraw/zinc/83/52/11/985835211.db2.gz YGEOJGIBZDPDEW-YPMHNXCESA-N -1 1 290.407 3.279 20 0 CGADMM Cc1[nH]c(CN2Cc3ccccc3[C@@H](C)C2)cc1C(=O)[O-] ZINC001599964793 985880360 /nfs/dbraw/zinc/88/03/60/985880360.db2.gz VXZICDNRLQASES-NSHDSACASA-N -1 1 284.359 3.141 20 0 CGADMM CC(C)(C)OC1CC(CCNc2cc(C(=O)[O-])ccn2)C1 ZINC001590374630 989869908 /nfs/dbraw/zinc/86/99/08/989869908.db2.gz POZCUTSCOCUHGV-UHFFFAOYSA-N -1 1 292.379 3.176 20 0 CGADMM CC(C)C1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001591096620 991691434 /nfs/dbraw/zinc/69/14/34/991691434.db2.gz LVVVFRCRSNQRBX-UHFFFAOYSA-N -1 1 267.756 3.126 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])n1C)Cc1cccc(Cl)c1 ZINC001598526284 992724905 /nfs/dbraw/zinc/72/49/05/992724905.db2.gz UONHULMJUMUZAQ-UHFFFAOYSA-N -1 1 292.766 3.009 20 0 CGADMM CC(C)N(Cc1c(Cl)cccc1C(=O)[O-])[C@H]1CCOC1 ZINC001591595371 992819228 /nfs/dbraw/zinc/81/92/28/992819228.db2.gz MVGSDYCQRIWLKK-NSHDSACASA-N -1 1 297.782 3.038 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC(C)(C)CC1 ZINC001593732690 996314982 /nfs/dbraw/zinc/31/49/82/996314982.db2.gz YGCIENKVHTUZTA-SECBINFHSA-N -1 1 268.382 3.024 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC(C)(C)CC1 ZINC001593732692 996315178 /nfs/dbraw/zinc/31/51/78/996315178.db2.gz YGCIENKVHTUZTA-VIFPVBQESA-N -1 1 268.382 3.024 20 0 CGADMM CC1CCC(N(Cc2ncc(C(=O)[O-])s2)C2CC2)CC1 ZINC001594309958 999198197 /nfs/dbraw/zinc/19/81/97/999198197.db2.gz UNAPAKFABQBJTQ-UHFFFAOYSA-N -1 1 294.420 3.384 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])[nH]2)[C@@H]2CCCC[C@H]12 ZINC001594423947 999585109 /nfs/dbraw/zinc/58/51/09/999585109.db2.gz MEXOLDXVCMTJSE-UXIGCNINSA-N -1 1 276.380 3.114 20 0 CGADMM O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1[O-] ZINC000096937982 185133143 /nfs/dbraw/zinc/13/31/43/185133143.db2.gz OWCIYNNSAHNNBR-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ncc(C)cc1[O-] ZINC000427254976 529427427 /nfs/dbraw/zinc/42/74/27/529427427.db2.gz BQPCGMBEYFATLB-OAHLLOKOSA-N -1 1 298.386 3.189 20 0 CGADMM CC[C@@H](C)n1nc(C(=O)Nc2ccc(F)cc2[O-])cc1C ZINC000437008098 529438820 /nfs/dbraw/zinc/43/88/20/529438820.db2.gz ZYSJEJGUONRMEU-SECBINFHSA-N -1 1 291.326 3.260 20 0 CGADMM CC[C@@H](CNC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000622287029 349667747 /nfs/dbraw/zinc/66/77/47/349667747.db2.gz WHRIUTIZOYNTBD-LBPRGKRZSA-N -1 1 287.334 3.455 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cccc(N(C)C)n2)c([O-])c1 ZINC000622498980 349683601 /nfs/dbraw/zinc/68/36/01/349683601.db2.gz JJADLYUXMBCQNI-UHFFFAOYSA-N -1 1 299.374 3.229 20 0 CGADMM CCc1cc(NC(=O)c2ccc([O-])cc2F)ccc1F ZINC000436846498 529552045 /nfs/dbraw/zinc/55/20/45/529552045.db2.gz XTTCZNIVHMFDBG-UHFFFAOYSA-N -1 1 277.270 3.485 20 0 CGADMM CCc1cc(=O)[n-]c(SCCc2ccccc2F)n1 ZINC000436184730 529566601 /nfs/dbraw/zinc/56/66/01/529566601.db2.gz LQYCPKLNPCZYFN-UHFFFAOYSA-N -1 1 278.352 3.219 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000438790065 529689629 /nfs/dbraw/zinc/68/96/29/529689629.db2.gz JMWMNJVQWUEKAQ-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)CCC(C)(F)F)[nH][n-]2)s1 ZINC000623491813 349819979 /nfs/dbraw/zinc/81/99/79/349819979.db2.gz AJRGMJSIIXZWAY-UHFFFAOYSA-N -1 1 299.346 3.242 20 0 CGADMM CC[C@H](C)C[C@@H](NCc1cccc([O-])c1Cl)C(=O)OC ZINC000592517574 346994854 /nfs/dbraw/zinc/99/48/54/346994854.db2.gz UGSGLSWLYLSAOG-CMPLNLGQSA-N -1 1 299.798 3.113 20 0 CGADMM O=C([O-])C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000032144943 344929745 /nfs/dbraw/zinc/92/97/45/344929745.db2.gz CSCHFZXKAYLAGM-UHFFFAOYSA-N -1 1 289.762 3.427 20 0 CGADMM Cc1nc(CNC(=O)c2cc3ccccc3cc2[O-])cs1 ZINC000042125503 344978378 /nfs/dbraw/zinc/97/83/78/344978378.db2.gz MTAJSGGYTKASPI-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1CC1CCCCC1 ZINC000124376545 232187836 /nfs/dbraw/zinc/18/78/36/232187836.db2.gz RZVHNEKLNFBRSB-CQSZACIVSA-N -1 1 288.391 3.362 20 0 CGADMM C[C@@H](c1ccc(Cl)cc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133034 345804919 /nfs/dbraw/zinc/80/49/19/345804919.db2.gz UPOKESNTZRGGNY-GWCFXTLKSA-N -1 1 299.823 3.293 20 0 CGADMM O=C(NC[C@@H]1Cc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000108282387 345936928 /nfs/dbraw/zinc/93/69/28/345936928.db2.gz ALOIYRRMIRENJY-NSHDSACASA-N -1 1 287.746 3.115 20 0 CGADMM O=C([O-])C[C@H]1CCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000161385381 346175226 /nfs/dbraw/zinc/17/52/26/346175226.db2.gz YDWJCXHDYUWNIT-SNVBAGLBSA-N -1 1 285.746 3.166 20 0 CGADMM O=C(NCCC1CCCCC1)c1c([O-])cccc1F ZINC000236599448 346341600 /nfs/dbraw/zinc/34/16/00/346341600.db2.gz YHLPCNJZXNLOAY-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM C[C@H](c1cccc(Cl)c1)N1CCSC[C@H]1CC(=O)[O-] ZINC000251522196 346388916 /nfs/dbraw/zinc/38/89/16/346388916.db2.gz LDSDATVUDCTTEZ-ZWNOBZJWSA-N -1 1 299.823 3.293 20 0 CGADMM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)C[C@@H](C)S1 ZINC000394456003 346576781 /nfs/dbraw/zinc/57/67/81/346576781.db2.gz JCFJEKBQBLULHM-NXEZZACHSA-N -1 1 299.823 3.364 20 0 CGADMM COc1cnc(NC(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000351823238 219215360 /nfs/dbraw/zinc/21/53/60/219215360.db2.gz QLBHLOXPGOOCEG-UHFFFAOYSA-N -1 1 299.739 3.155 20 0 CGADMM C[S@](=O)c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000339302773 215079927 /nfs/dbraw/zinc/07/99/27/215079927.db2.gz PZYXTYLJFQGCFH-IBGZPJMESA-N -1 1 295.791 3.395 20 0 CGADMM C[S@@](=O)c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000339302775 215080087 /nfs/dbraw/zinc/08/00/87/215080087.db2.gz PZYXTYLJFQGCFH-LJQANCHMSA-N -1 1 295.791 3.395 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc(F)cc(F)c1 ZINC000605440456 348156025 /nfs/dbraw/zinc/15/60/25/348156025.db2.gz SFKZBVKWNSQIOH-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccco1 ZINC000608352319 348299858 /nfs/dbraw/zinc/29/98/58/348299858.db2.gz DJKAMTBGPCIEQA-JTQLQIEISA-N -1 1 297.314 3.118 20 0 CGADMM C[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)[C@H]1CCCO1 ZINC000612758667 348543774 /nfs/dbraw/zinc/54/37/74/348543774.db2.gz BLENRWXPVRLOKO-NOZJJQNGSA-N -1 1 283.755 3.189 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CC2(C1)CCCCC2 ZINC000613342069 348591751 /nfs/dbraw/zinc/59/17/51/348591751.db2.gz BAWANRIVUHGTDC-UHFFFAOYSA-N -1 1 296.370 3.347 20 0 CGADMM C[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C[C@H]1C ZINC000613162966 348569730 /nfs/dbraw/zinc/56/97/30/348569730.db2.gz RFFQSMHWOIBXEC-NWDGAFQWSA-N -1 1 284.359 3.059 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])CC1(C)C ZINC000613509317 348613617 /nfs/dbraw/zinc/61/36/17/348613617.db2.gz ZMRGDJIAJZHAMZ-GFCCVEGCSA-N -1 1 298.386 3.449 20 0 CGADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ncc2ccccc2c1[O-] ZINC000616345481 348812722 /nfs/dbraw/zinc/81/27/22/348812722.db2.gz TXHAXQGIIYTLKD-GRYCIOLGSA-N -1 1 284.359 3.057 20 0 CGADMM C[C@@H]1CC(CNC(=O)c2c(F)ccc([O-])c2F)C[C@@H](C)C1 ZINC000617668920 349000548 /nfs/dbraw/zinc/00/05/48/349000548.db2.gz ZHHAMSTZDDEHGI-UWVGGRQHSA-N -1 1 297.345 3.473 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000628960113 350625350 /nfs/dbraw/zinc/62/53/50/350625350.db2.gz VXQRWRGDCGMSHU-HTQZYQBOSA-N -1 1 291.244 3.448 20 0 CGADMM O=C(CCCC(F)(F)F)Nc1cccc(F)c1[O-] ZINC000628960170 350626446 /nfs/dbraw/zinc/62/64/46/350626446.db2.gz ZBTJPJAZANUAQV-UHFFFAOYSA-N -1 1 265.206 3.202 20 0 CGADMM C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630435333 350840157 /nfs/dbraw/zinc/84/01/57/350840157.db2.gz LFIPRJSOELSIPQ-GWCFXTLKSA-N -1 1 281.783 3.283 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2cc(Cl)ccn2)[n-]1 ZINC000631017520 350925149 /nfs/dbraw/zinc/92/51/49/350925149.db2.gz AAHNRSQHUKDQLQ-UHFFFAOYSA-N -1 1 293.779 3.400 20 0 CGADMM CCO[C@@H](CSc1nc(C)c(C2CC2)c(=O)[n-]1)C1CC1 ZINC000631023786 350927578 /nfs/dbraw/zinc/92/75/78/350927578.db2.gz XEODKKVKCHFKNL-LBPRGKRZSA-N -1 1 294.420 3.275 20 0 CGADMM Cc1nc(SCCC2CCOCC2)[n-]c(=O)c1C1CC1 ZINC000631023764 350927689 /nfs/dbraw/zinc/92/76/89/350927689.db2.gz WMGAFABWETXARD-UHFFFAOYSA-N -1 1 294.420 3.277 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@@H]1C[C@H]1C1CCC1 ZINC000633486102 351310509 /nfs/dbraw/zinc/31/05/09/351310509.db2.gz MLYZMOAZEVDVGA-STQMWFEESA-N -1 1 293.794 3.141 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(CCF)CC1 ZINC000633957806 351402132 /nfs/dbraw/zinc/40/21/32/351402132.db2.gz RZTAPRCOZXTGTH-UHFFFAOYSA-N -1 1 285.746 3.257 20 0 CGADMM CN(C[C@@H]1CC1(C)C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633658814 351341177 /nfs/dbraw/zinc/34/11/77/351341177.db2.gz SOSWMYVHNUUGJF-NSHDSACASA-N -1 1 281.783 3.093 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3ccc(F)c(F)c3)c(=O)c2C1 ZINC000634590781 351527611 /nfs/dbraw/zinc/52/76/11/351527611.db2.gz JTWMGSSRSLURLJ-GXSJLCMTSA-N -1 1 278.302 3.099 20 0 CGADMM CCc1[n-]n(-c2ncccc2C(F)(F)F)c(=O)c1C(C)C ZINC000634589129 351527917 /nfs/dbraw/zinc/52/79/17/351527917.db2.gz OXJRVSLMROFZNI-NSHDSACASA-N -1 1 299.296 3.485 20 0 CGADMM Cc1[n-]n(-c2ccc(C)cc2Cl)c(=O)c1C1CC1 ZINC000634593923 351529544 /nfs/dbraw/zinc/52/95/44/351529544.db2.gz DRFCLHWCCJCRIT-CYBMUJFWSA-N -1 1 262.740 3.397 20 0 CGADMM Cc1[n-]n(-c2cccc(Cl)c2F)c(=O)c1C1CC1 ZINC000634595183 351531022 /nfs/dbraw/zinc/53/10/22/351531022.db2.gz SLDKBLSHYXQYAL-NSHDSACASA-N -1 1 266.703 3.228 20 0 CGADMM CCCc1[n-]n(Cc2ccccc2F)c(=O)c1CC ZINC000634607848 351539860 /nfs/dbraw/zinc/53/98/60/351539860.db2.gz JTQRBCPUPFDXMC-GFCCVEGCSA-N -1 1 262.328 3.350 20 0 CGADMM O=c1c2c([n-]n1Cc1cnc3ccccc3c1)CCCC2 ZINC000634617987 351545963 /nfs/dbraw/zinc/54/59/63/351545963.db2.gz CUASZPLRXUQFEH-AWEZNQCLSA-N -1 1 279.343 3.123 20 0 CGADMM Cc1[n-]n([C@@H](Cc2ccccc2)C(C)C)c(=O)c1C ZINC000634621181 351546546 /nfs/dbraw/zinc/54/65/46/351546546.db2.gz BLKDNVWRPVZHMR-DOMZBBRYSA-N -1 1 258.365 3.108 20 0 CGADMM C[C@H](c1ccncc1)n1[n-]c2c(c1=O)CCCCCC2 ZINC000634626785 351549933 /nfs/dbraw/zinc/54/99/33/351549933.db2.gz LZMBZSQXSLFHPX-TZMCWYRMSA-N -1 1 271.364 3.311 20 0 CGADMM C[C@@H](c1ccncc1)n1[n-]c2c(c1=O)CCCCCC2 ZINC000634626783 351550437 /nfs/dbraw/zinc/55/04/37/351550437.db2.gz LZMBZSQXSLFHPX-JSGCOSHPSA-N -1 1 271.364 3.311 20 0 CGADMM CSc1ccc([O-])c(-c2nc(COC3CCC3)no2)c1 ZINC000634670069 351558097 /nfs/dbraw/zinc/55/80/97/351558097.db2.gz FIDFQXLNDVDXRW-UHFFFAOYSA-N -1 1 292.360 3.233 20 0 CGADMM CCOCCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000120638580 186914508 /nfs/dbraw/zinc/91/45/08/186914508.db2.gz MXPRRPARDMUBSW-UHFFFAOYSA-N -1 1 287.359 3.092 20 0 CGADMM C[C@H](C(=O)[N-]OC/C=C/Cl)c1cn(C)c2ccccc12 ZINC000291762369 198083831 /nfs/dbraw/zinc/08/38/31/198083831.db2.gz IAERUIPWXNOGCO-BWNDKRECSA-N -1 1 292.766 3.082 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC2(CCC2)[C@H]1C1CC1 ZINC000292153684 198184736 /nfs/dbraw/zinc/18/47/36/198184736.db2.gz VOZYSYSBIBNFLM-CQSZACIVSA-N -1 1 291.778 3.450 20 0 CGADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000154973254 188173632 /nfs/dbraw/zinc/17/36/32/188173632.db2.gz BDKLBFZYIGHPPZ-KBPBESRZSA-N -1 1 297.395 3.325 20 0 CGADMM CN(CCC1CC1)C(=O)c1cc(Br)ccc1[O-] ZINC000156309627 188254908 /nfs/dbraw/zinc/25/49/08/188254908.db2.gz VEXALLMXCNPFPF-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM CC(C)(NC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000312357173 535237861 /nfs/dbraw/zinc/23/78/61/535237861.db2.gz GKVQZMOTOXQALI-UHFFFAOYSA-N -1 1 273.307 3.196 20 0 CGADMM CN(CC1CCOCC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000107066020 138356737 /nfs/dbraw/zinc/35/67/37/138356737.db2.gz DMJPQEMQTQXQON-UHFFFAOYSA-N -1 1 299.370 3.044 20 0 CGADMM O=C(Nc1ccncc1[O-])c1ccc(Cl)cc1Cl ZINC000109890725 138362119 /nfs/dbraw/zinc/36/21/19/138362119.db2.gz PGJZRIPZGDTHTL-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2sccc2C)o1 ZINC000426783202 236313600 /nfs/dbraw/zinc/31/36/00/236313600.db2.gz JYFOPYNDWAYEAW-LLVKDONJSA-N -1 1 279.361 3.264 20 0 CGADMM Cc1cnccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436868226 237197005 /nfs/dbraw/zinc/19/70/05/237197005.db2.gz HPXJXZZMCOBMET-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM Cc1ccccc1[C@H](C)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000437007669 237230675 /nfs/dbraw/zinc/23/06/75/237230675.db2.gz WCAPCIKDZVGSBG-ZDUSSCGKSA-N -1 1 297.354 3.103 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2nnc(C)s2)n1 ZINC000181715047 189305174 /nfs/dbraw/zinc/30/51/74/189305174.db2.gz PSMVBSKIORUMOL-SSDOTTSWSA-N -1 1 296.421 3.148 20 0 CGADMM O=C(NCCC[C@@H]1CCCCO1)c1cc(Cl)ccc1[O-] ZINC000183471213 189359464 /nfs/dbraw/zinc/35/94/64/189359464.db2.gz GTTYYONFRUBHOK-LBPRGKRZSA-N -1 1 297.782 3.125 20 0 CGADMM CC1([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CCCC1 ZINC000451116727 240222504 /nfs/dbraw/zinc/22/25/04/240222504.db2.gz RNFFNBGVBXNACL-UHFFFAOYSA-N -1 1 297.351 3.183 20 0 CGADMM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000451285055 240263445 /nfs/dbraw/zinc/26/34/45/240263445.db2.gz AFOQSHQRAATGQM-VIFPVBQESA-N -1 1 293.841 3.259 20 0 CGADMM CC(C)C1(C[N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000451310597 240270456 /nfs/dbraw/zinc/27/04/56/240270456.db2.gz XQBHFGZZYURFHN-UHFFFAOYSA-N -1 1 293.841 3.116 20 0 CGADMM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000462492292 242348211 /nfs/dbraw/zinc/34/82/11/242348211.db2.gz QJMOIRXHVPXUAS-UHFFFAOYSA-N -1 1 291.363 3.212 20 0 CGADMM Cc1c(=O)[n-]c(SCC(C)C)nc1-c1ccccc1 ZINC000016853156 368721560 /nfs/dbraw/zinc/72/15/60/368721560.db2.gz OIPNNPJDUJWBPK-UHFFFAOYSA-N -1 1 274.389 3.493 20 0 CGADMM O=C(NCCc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000019839383 368770642 /nfs/dbraw/zinc/77/06/42/368770642.db2.gz SNAAFONWRICWNE-UHFFFAOYSA-N -1 1 275.735 3.018 20 0 CGADMM Cc1ccc(/C=C/C(=O)Nc2ccc(F)cc2[O-])o1 ZINC000492286447 243919257 /nfs/dbraw/zinc/91/92/57/243919257.db2.gz IDMHFRRUWFLBJA-FNORWQNLSA-N -1 1 261.252 3.085 20 0 CGADMM CC(C)CN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000037023426 369052871 /nfs/dbraw/zinc/05/28/71/369052871.db2.gz IWPMJASVAVGLHS-UHFFFAOYSA-N -1 1 257.333 3.273 20 0 CGADMM CCC[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000111776127 370406365 /nfs/dbraw/zinc/40/63/65/370406365.db2.gz DMEAKFZUSKRFTD-OAHLLOKOSA-N -1 1 270.332 3.058 20 0 CGADMM Cc1c(=O)[n-]c(SCC2CC2)nc1-c1ccccc1 ZINC000132813460 371204929 /nfs/dbraw/zinc/20/49/29/371204929.db2.gz HURUGAUBZYCIEP-UHFFFAOYSA-N -1 1 272.373 3.247 20 0 CGADMM CC1(CNC(=O)c2ccc(Br)c([O-])c2)CCC1 ZINC000133886027 371286221 /nfs/dbraw/zinc/28/62/21/371286221.db2.gz VOUKHSWBXAOLAK-UHFFFAOYSA-N -1 1 298.180 3.075 20 0 CGADMM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000134058810 371300092 /nfs/dbraw/zinc/30/00/92/371300092.db2.gz CFJPPJBZSHREDL-GFCCVEGCSA-N -1 1 281.377 3.290 20 0 CGADMM COc1cc(C(=O)Nc2ccc(C)nc2)cc(Cl)c1[O-] ZINC000135189612 371400250 /nfs/dbraw/zinc/40/02/50/371400250.db2.gz BMDUKCRCCHFFHA-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccncc1[O-] ZINC000135392636 371422091 /nfs/dbraw/zinc/42/20/91/371422091.db2.gz SSXHWZUAGNLVNY-UHFFFAOYSA-N -1 1 297.289 3.035 20 0 CGADMM O=C(NC1(C2CC2)CC1)c1cc2ccccc2cc1[O-] ZINC000538784284 288589686 /nfs/dbraw/zinc/58/96/86/288589686.db2.gz KKNJPOXZMDBSAB-UHFFFAOYSA-N -1 1 267.328 3.218 20 0 CGADMM CC1(C)C[C@@H](NC(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000150930568 371549706 /nfs/dbraw/zinc/54/97/06/371549706.db2.gz FRZVFOIUVDOBLT-ZDUSSCGKSA-N -1 1 299.370 3.233 20 0 CGADMM CCC1(C)CN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000291049156 372103867 /nfs/dbraw/zinc/10/38/67/372103867.db2.gz JJHNWKZTQQIFPM-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM COCCC1(C)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000291253970 372148543 /nfs/dbraw/zinc/14/85/43/372148543.db2.gz PBONNXKVSDTCOC-UHFFFAOYSA-N -1 1 299.370 3.044 20 0 CGADMM C[C@H]([NH2+]Cc1cccc([O-])c1Cl)[C@@H]1CCCCO1 ZINC000293323233 372353595 /nfs/dbraw/zinc/35/35/95/372353595.db2.gz RCSRAYUDXLAQKI-GWCFXTLKSA-N -1 1 269.772 3.093 20 0 CGADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccs2)[nH]n1 ZINC000162943211 372436708 /nfs/dbraw/zinc/43/67/08/372436708.db2.gz VAKMPLHSHGUEPC-VIFPVBQESA-N -1 1 299.421 3.176 20 0 CGADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccs2)[nH]n1 ZINC000162943094 372437109 /nfs/dbraw/zinc/43/71/09/372437109.db2.gz VAKMPLHSHGUEPC-SECBINFHSA-N -1 1 299.421 3.176 20 0 CGADMM CCN(Cc1ccncc1)Cc1cccc([O-])c1Cl ZINC000293894467 372516580 /nfs/dbraw/zinc/51/65/80/372516580.db2.gz KOHJZYCVYMYNLQ-UHFFFAOYSA-N -1 1 276.767 3.463 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2cc(F)ccc2[O-])CC1(C)C ZINC000294004613 372551920 /nfs/dbraw/zinc/55/19/20/372551920.db2.gz SGHNEIACJWAYON-CYBMUJFWSA-N -1 1 265.328 3.038 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)C2=CCCCC2)c2n[nH]cc21 ZINC000294180518 372605670 /nfs/dbraw/zinc/60/56/70/372605670.db2.gz JZXAEWCSOLQJST-UHFFFAOYSA-N -1 1 291.376 3.071 20 0 CGADMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1ccc([O-])cc1F ZINC000294754202 372670717 /nfs/dbraw/zinc/67/07/17/372670717.db2.gz ZFTLDGRCUAEJLC-INIZCTEOSA-N -1 1 299.345 3.455 20 0 CGADMM CCC[C@H](CC)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442941335 373130778 /nfs/dbraw/zinc/13/07/78/373130778.db2.gz FHBZIOLYTLVAGI-JTQLQIEISA-N -1 1 285.771 3.363 20 0 CGADMM CCCC(C)(C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442947128 373130969 /nfs/dbraw/zinc/13/09/69/373130969.db2.gz DAWVSEQCAWZMKS-UHFFFAOYSA-N -1 1 285.771 3.363 20 0 CGADMM C[C@@H]1CCO[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000296646190 373207458 /nfs/dbraw/zinc/20/74/58/373207458.db2.gz DBKCSJMJXLADNB-HQJQHLMTSA-N -1 1 280.711 3.193 20 0 CGADMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@H]3CC=CCC3)[nH][n-]2)c1 ZINC000444787611 373275592 /nfs/dbraw/zinc/27/55/92/373275592.db2.gz RXEBWQTVTIGGIJ-LBPRGKRZSA-N -1 1 299.349 3.241 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2c([O-])cccc2F)[C@H]1C ZINC000300241875 373621560 /nfs/dbraw/zinc/62/15/60/373621560.db2.gz ZVWOALXUFFJZDJ-SCVCMEIPSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@H]1C[C@H](NC(=O)c2c([O-])cccc2F)C[C@@H](C)C1 ZINC000300241410 373621355 /nfs/dbraw/zinc/62/13/55/373621355.db2.gz DPXNKLXHFAMMOW-URLYPYJESA-N -1 1 265.328 3.086 20 0 CGADMM O=C(NC[C@H]1CCCc2ccccc21)c1ccc([O-])cc1F ZINC000181107359 374080733 /nfs/dbraw/zinc/08/07/33/374080733.db2.gz XGWFUBKWBSZVPH-CYBMUJFWSA-N -1 1 299.345 3.381 20 0 CGADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc([O-])cc1F ZINC000181173366 374091345 /nfs/dbraw/zinc/09/13/45/374091345.db2.gz BAGCYQZWZXQLRH-HNNXBMFYSA-N -1 1 289.281 3.088 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2ncccc2[O-])CC12CCCCC2 ZINC000333748926 374617791 /nfs/dbraw/zinc/61/77/91/374617791.db2.gz MVYYYDDXKAXSCH-HNNXBMFYSA-N -1 1 288.391 3.218 20 0 CGADMM CC(C)C[C@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456775829 374620156 /nfs/dbraw/zinc/62/01/56/374620156.db2.gz DQHQBHITRAHQND-QMMMGPOBSA-N -1 1 257.280 3.291 20 0 CGADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456777701 374620368 /nfs/dbraw/zinc/62/03/68/374620368.db2.gz GLENYWCJWBAECS-RKDXNWHRSA-N -1 1 269.291 3.291 20 0 CGADMM CC[C@H](C)CCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456790146 374623559 /nfs/dbraw/zinc/62/35/59/374623559.db2.gz VTJMLMUHUITDHE-QMMMGPOBSA-N -1 1 257.280 3.435 20 0 CGADMM C[C@H]1CCC[C@H]1CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456786296 374623740 /nfs/dbraw/zinc/62/37/40/374623740.db2.gz OJKQULPDJQGQAX-IUCAKERBSA-N -1 1 269.291 3.435 20 0 CGADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000185402490 374655831 /nfs/dbraw/zinc/65/58/31/374655831.db2.gz FCQKCDSPFVCVKA-UWVGGRQHSA-N -1 1 253.729 3.276 20 0 CGADMM CCOc1cc(C(=O)N2CC[C@@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000186849787 374928799 /nfs/dbraw/zinc/92/87/99/374928799.db2.gz RJYPJVNQMQMMDJ-NXEZZACHSA-N -1 1 297.782 3.315 20 0 CGADMM CCc1cc(=O)[n-]c(SCC2CCCCC2)n1 ZINC000188112658 375160857 /nfs/dbraw/zinc/16/08/57/375160857.db2.gz QERBAUPRRBASSJ-UHFFFAOYSA-N -1 1 252.383 3.005 20 0 CGADMM CC1(C)CC(CC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335214835 375234661 /nfs/dbraw/zinc/23/46/61/375234661.db2.gz HZXDOJDMDYHURL-UHFFFAOYSA-N -1 1 269.291 3.435 20 0 CGADMM [O-]c1cccc(C[NH2+][C@H]2CC[C@H](F)C2)c1Br ZINC000335168190 375194411 /nfs/dbraw/zinc/19/44/11/375194411.db2.gz HJBIJCNFJQEKPV-UWVGGRQHSA-N -1 1 288.160 3.135 20 0 CGADMM C[C@H]1CCN(Cc2ccc(F)cc2Cl)C[C@H]1C(=O)[O-] ZINC000335424079 375282378 /nfs/dbraw/zinc/28/23/78/375282378.db2.gz LWIWDCOXNLDJST-JOYOIKCWSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@H]1CCN(Cc2ccc(Cl)cc2F)C[C@@H]1C(=O)[O-] ZINC000335426154 375285165 /nfs/dbraw/zinc/28/51/65/375285165.db2.gz ZFTFWZPRRSKTJO-CABZTGNLSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000335445800 375299976 /nfs/dbraw/zinc/29/99/76/375299976.db2.gz ZHWZDKPPXGEPJY-MWLCHTKSSA-N -1 1 285.746 3.022 20 0 CGADMM COc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc(Cl)c1[O-] ZINC000335838028 375471820 /nfs/dbraw/zinc/47/18/20/375471820.db2.gz OLKTVPVPNAKNOX-UWVGGRQHSA-N -1 1 297.782 3.172 20 0 CGADMM CCNc1cc(C)ccc1NC(=O)c1ccccc1[O-] ZINC000191389774 375622736 /nfs/dbraw/zinc/62/27/36/375622736.db2.gz ZWYNFGREWDULFP-UHFFFAOYSA-N -1 1 270.332 3.385 20 0 CGADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccsc1 ZINC000128657882 542053318 /nfs/dbraw/zinc/05/33/18/542053318.db2.gz PBDCKNIUMWJXEQ-MRVPVSSYSA-N -1 1 265.309 3.084 20 0 CGADMM Cc1ccc(NC(=O)c2ccc(O)cc2[O-])c2cccnc12 ZINC000193075257 375822637 /nfs/dbraw/zinc/82/26/37/375822637.db2.gz ARBGKEYLIKMUFS-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM COC(=O)c1c[n-]c(S[C@H](C)c2cc(F)ccc2F)n1 ZINC000193547237 375893021 /nfs/dbraw/zinc/89/30/21/375893021.db2.gz BOJTVFSKDYVDAQ-SSDOTTSWSA-N -1 1 298.314 3.328 20 0 CGADMM COC(=O)c1c[n-]c(SCCCc2cccc(C)c2)n1 ZINC000193553143 375893314 /nfs/dbraw/zinc/89/33/14/375893314.db2.gz WKSLAOGGLYVPFT-UHFFFAOYSA-N -1 1 290.388 3.230 20 0 CGADMM Cc1cccnc1CNCc1cccc([O-])c1Cl ZINC000336897509 376024635 /nfs/dbraw/zinc/02/46/35/376024635.db2.gz PFJSFFNMKOVBFG-UHFFFAOYSA-N -1 1 262.740 3.039 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@H](C)C2CCCCC2)c([O-])c1 ZINC000338350536 376345309 /nfs/dbraw/zinc/34/53/09/376345309.db2.gz ZVGJHEXFRKIKPC-GFCCVEGCSA-N -1 1 276.380 3.136 20 0 CGADMM CCC(CC)(OC)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000227833646 376415160 /nfs/dbraw/zinc/41/51/60/376415160.db2.gz UBFVBYHZSCNHSU-UHFFFAOYSA-N -1 1 280.299 3.243 20 0 CGADMM O=C(NC[C@H]1CCSC1)c1ccc2ccccc2c1[O-] ZINC000228578571 376443191 /nfs/dbraw/zinc/44/31/91/376443191.db2.gz DSKLCYMHFVIVTL-LLVKDONJSA-N -1 1 287.384 3.028 20 0 CGADMM O=C([N-]c1ncn(C2CCCCC2)n1)c1sccc1F ZINC000334322759 206367480 /nfs/dbraw/zinc/36/74/80/206367480.db2.gz YNDGVRLMIBJXTO-UHFFFAOYSA-N -1 1 294.355 3.236 20 0 CGADMM CCC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000558515239 377016571 /nfs/dbraw/zinc/01/65/71/377016571.db2.gz XYIXPQYQALQZMA-DOMZBBRYSA-N -1 1 289.375 3.050 20 0 CGADMM COc1cc(C(=O)Nc2ccc(F)cc2[O-])ccc1C ZINC000340326807 377003171 /nfs/dbraw/zinc/00/31/71/377003171.db2.gz DXCMVKYFEWXDDZ-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM O=C(Nc1cccc(Cl)c1[O-])c1cccc2nc[nH]c21 ZINC000340320659 377003468 /nfs/dbraw/zinc/00/34/68/377003468.db2.gz YHOZLQNMYRXADM-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])ccc1F ZINC000340329713 377004803 /nfs/dbraw/zinc/00/48/03/377004803.db2.gz QIQLQBUTCKEMNN-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000340329864 377005260 /nfs/dbraw/zinc/00/52/60/377005260.db2.gz SKPKJIMWQRLZJC-VHSXEESVSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(F)cc1[O-] ZINC000340330861 377006784 /nfs/dbraw/zinc/00/67/84/377006784.db2.gz QFPCBVQMCYRTCO-VIFPVBQESA-N -1 1 293.269 3.076 20 0 CGADMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])n1cnc2ccccc21 ZINC000340332092 377007544 /nfs/dbraw/zinc/00/75/44/377007544.db2.gz HLHKFPXZQLJXAA-JTQLQIEISA-N -1 1 299.305 3.081 20 0 CGADMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000560022240 377113777 /nfs/dbraw/zinc/11/37/77/377113777.db2.gz VFYJWUYXFKIILZ-DTWKUNHWSA-N -1 1 293.791 3.192 20 0 CGADMM CSc1ccc(C(=O)[N-]c2nc(C(C)(C)C)ns2)o1 ZINC000264897137 190142688 /nfs/dbraw/zinc/14/26/88/190142688.db2.gz ZMJNUQPVFMAKHI-UHFFFAOYSA-N -1 1 297.405 3.403 20 0 CGADMM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CCCCC(=O)[O-] ZINC000248372591 377298641 /nfs/dbraw/zinc/29/86/41/377298641.db2.gz AXRKCCUZXLNUBP-CKEIUWERSA-N -1 1 291.391 3.092 20 0 CGADMM CC[C@@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])CCS1 ZINC000563280665 377434095 /nfs/dbraw/zinc/43/40/95/377434095.db2.gz ZIQIZKCWUCHBRV-SNVBAGLBSA-N -1 1 299.823 3.366 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1O ZINC000085203534 249013264 /nfs/dbraw/zinc/01/32/64/249013264.db2.gz TWWUFLSJABNEAV-UHFFFAOYSA-N -1 1 297.763 3.155 20 0 CGADMM CC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1C ZINC000089411596 249028480 /nfs/dbraw/zinc/02/84/80/249028480.db2.gz DKUTUUZGKQOEQQ-UHFFFAOYSA-N -1 1 269.300 3.156 20 0 CGADMM Cc1cnc(SC[C@@H]2CCC(F)(F)C2)[n-]c1=O ZINC000515435193 249212199 /nfs/dbraw/zinc/21/21/99/249212199.db2.gz ZLWCCOHTZCENOA-MRVPVSSYSA-N -1 1 260.309 3.018 20 0 CGADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2c(F)cccc2Cl)C1 ZINC000263138262 377921237 /nfs/dbraw/zinc/92/12/37/377921237.db2.gz DJZMARHQRFLQMD-UWVGGRQHSA-N -1 1 285.746 3.022 20 0 CGADMM CCCN(CC(=O)[O-])Cc1ccc(-c2ccc(F)cc2)o1 ZINC000263426157 377935371 /nfs/dbraw/zinc/93/53/71/377935371.db2.gz QMXAXJWDMUGTLA-UHFFFAOYSA-N -1 1 291.322 3.382 20 0 CGADMM CC[C@@H]1Cc2ccccc2CN1Cc1cc(C(=O)[O-])co1 ZINC000575995626 378005953 /nfs/dbraw/zinc/00/59/53/378005953.db2.gz SBESRARNOOMCGX-OAHLLOKOSA-N -1 1 285.343 3.315 20 0 CGADMM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)c(C)n1 ZINC000575995719 378005991 /nfs/dbraw/zinc/00/59/91/378005991.db2.gz ULZDFGRZUFXWFR-UHFFFAOYSA-N -1 1 284.359 3.029 20 0 CGADMM CCN(CCC(=O)[O-])Cc1nc(C2CCCCC2)cs1 ZINC000576046489 378010553 /nfs/dbraw/zinc/01/05/53/378010553.db2.gz PAMNBJWCZBQJMT-UHFFFAOYSA-N -1 1 296.436 3.487 20 0 CGADMM [O-]c1ccc(-c2noc(C[C@@H]3CC[C@@H]4C[C@@H]43)n2)c(F)c1 ZINC000575877429 377997878 /nfs/dbraw/zinc/99/78/78/377997878.db2.gz DWGYYFSMXPSFDI-PTRXPTGYSA-N -1 1 274.295 3.170 20 0 CGADMM CC1(C)CC(CC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000343890803 378126709 /nfs/dbraw/zinc/12/67/09/378126709.db2.gz UWWYAHXRQYAXSK-UHFFFAOYSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000345268134 378238540 /nfs/dbraw/zinc/23/85/40/378238540.db2.gz OLWXSLDAVGGZSR-ZYHUDNBSSA-N -1 1 285.347 3.157 20 0 CGADMM CC(C)[C@H](C)N(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000271271716 378487642 /nfs/dbraw/zinc/48/76/42/378487642.db2.gz OOTMZCDITCBRMF-JTQLQIEISA-N -1 1 265.328 3.180 20 0 CGADMM O=C(NOC1CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000272094948 378561729 /nfs/dbraw/zinc/56/17/29/378561729.db2.gz UJKPRBHNCXCTQN-UHFFFAOYSA-N -1 1 289.253 3.015 20 0 CGADMM CC(C)c1nn(C)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000272739154 378696953 /nfs/dbraw/zinc/69/69/53/378696953.db2.gz LSWDQUMMRRYXRA-UHFFFAOYSA-N -1 1 293.754 3.155 20 0 CGADMM C[C@H](CCC(C)(C)C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000348577897 378997648 /nfs/dbraw/zinc/99/76/48/378997648.db2.gz SHCFQZVVCBZKEA-SSDOTTSWSA-N -1 1 292.305 3.224 20 0 CGADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccoc1Cl ZINC000192268209 542263862 /nfs/dbraw/zinc/26/38/62/542263862.db2.gz AXESBJFXOVASLB-UHFFFAOYSA-N -1 1 297.645 3.056 20 0 CGADMM Cc1ccc(NC(=O)c2csc(=NC3CC3)[n-]2)cc1C ZINC000349818587 379400230 /nfs/dbraw/zinc/40/02/30/379400230.db2.gz CHYJNVHAZUNZOE-UHFFFAOYSA-N -1 1 287.388 3.008 20 0 CGADMM CCc1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(C)o1 ZINC000350614968 379576629 /nfs/dbraw/zinc/57/66/29/379576629.db2.gz ZJLVVTXRHFWCNG-UHFFFAOYSA-N -1 1 289.266 3.107 20 0 CGADMM C[C@@H](CC(F)F)c1nc(-c2ccc([O-])cc2F)no1 ZINC000351230760 379686746 /nfs/dbraw/zinc/68/67/46/379686746.db2.gz SHOFVLKRRGVXOB-LURJTMIESA-N -1 1 272.226 3.340 20 0 CGADMM O=C(N=c1[n-]sc2ccccc21)N1CCC2(CCC2)C1 ZINC000640339252 379769871 /nfs/dbraw/zinc/76/98/71/379769871.db2.gz OTZGVQGPOUELKV-UHFFFAOYSA-N -1 1 287.388 3.126 20 0 CGADMM CC[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ncc[nH]1 ZINC000387711373 379879273 /nfs/dbraw/zinc/87/92/73/379879273.db2.gz RCGAEAXLVKQTDZ-CQSZACIVSA-N -1 1 295.342 3.150 20 0 CGADMM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000408371525 380007973 /nfs/dbraw/zinc/00/79/73/380007973.db2.gz YRQQBENBECGELP-CHWSQXEVSA-N -1 1 276.380 3.136 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC(C2CC2)C1 ZINC000643292441 380258376 /nfs/dbraw/zinc/25/83/76/380258376.db2.gz LTJQXCMLPSZBMC-UHFFFAOYSA-N -1 1 267.328 3.027 20 0 CGADMM COc1ccc(NCc2cccc([O-])c2Cl)c(OC)n1 ZINC000645166852 380602076 /nfs/dbraw/zinc/60/20/76/380602076.db2.gz AIVALQYAKVHUQS-UHFFFAOYSA-N -1 1 294.738 3.070 20 0 CGADMM FC(F)(F)c1nc(=NC[C@H]2C[C@@H]2c2ccccc2)s[n-]1 ZINC000645319056 380649085 /nfs/dbraw/zinc/64/90/85/380649085.db2.gz CZPUMTSRNBIDMY-NXEZZACHSA-N -1 1 299.321 3.194 20 0 CGADMM CCOc1cc(C(=O)NC2(C(C)C)CC2)cc(Cl)c1[O-] ZINC000357208094 381067319 /nfs/dbraw/zinc/06/73/19/381067319.db2.gz WWDWUEVZIHGVMA-UHFFFAOYSA-N -1 1 297.782 3.363 20 0 CGADMM COc1cccc(Cl)c1CN1CCC(CC(=O)[O-])CC1 ZINC000228806692 542299175 /nfs/dbraw/zinc/29/91/75/542299175.db2.gz CWLJVCJYQUPLEE-UHFFFAOYSA-N -1 1 297.782 3.035 20 0 CGADMM C[C@@H]1C[C@H](C)[C@H](c2nc(-c3ccc([O-])cc3F)no2)O1 ZINC000289180353 197255315 /nfs/dbraw/zinc/25/53/15/197255315.db2.gz WGHCEJPJAJLKMB-JOAULVNJSA-N -1 1 278.283 3.067 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H]2CCC[C@H]2C(C)(C)C)s[n-]1 ZINC000413569644 533121733 /nfs/dbraw/zinc/12/17/33/533121733.db2.gz FFIGYXHJFZHLFR-MXWKQRLJSA-N -1 1 283.441 3.294 20 0 CGADMM C[C@H](NC(=O)Nc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000288799078 197168603 /nfs/dbraw/zinc/16/86/03/197168603.db2.gz KSCKRIALVLBNNM-YFKPBYRVSA-N -1 1 282.649 3.118 20 0 CGADMM CO[C@@H]1CCC[C@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000436606396 533390114 /nfs/dbraw/zinc/39/01/14/533390114.db2.gz MNDBCYVCZYGPFJ-XJKSGUPXSA-N -1 1 299.370 3.090 20 0 CGADMM C[C@@H](CC1CCCCC1)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436636530 533509629 /nfs/dbraw/zinc/50/96/29/533509629.db2.gz RHAXWXQTVUFLJE-LBPRGKRZSA-N -1 1 289.375 3.050 20 0 CGADMM C[C@H]1CN(Cc2cc(Cl)ccc2F)CC[C@@H]1C(=O)[O-] ZINC000388843677 542605796 /nfs/dbraw/zinc/60/57/96/542605796.db2.gz XSEJYOVSVVIFOZ-CABZTGNLSA-N -1 1 285.746 3.022 20 0 CGADMM Cn1cccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1 ZINC000414369060 542637146 /nfs/dbraw/zinc/63/71/46/542637146.db2.gz HWBNXWGPYLILPL-UHFFFAOYSA-N -1 1 292.404 3.123 20 0 CGADMM CN(Cc1nc2ccccc2o1)C1(C(=O)[O-])CCCCC1 ZINC000314101660 392667901 /nfs/dbraw/zinc/66/79/01/392667901.db2.gz ZMCWWPRYPBJVEC-UHFFFAOYSA-N -1 1 288.347 3.047 20 0 CGADMM C[C@@H](F)CCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000505533759 392670947 /nfs/dbraw/zinc/67/09/47/392670947.db2.gz SKNXGUJVNKODMO-RXMQYKEDSA-N -1 1 270.251 3.041 20 0 CGADMM Cc1cnc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c([O-])c1 ZINC000331203882 392695787 /nfs/dbraw/zinc/69/57/87/392695787.db2.gz OABDTSQCPZVPPW-ZFWWWQNUSA-N -1 1 296.370 3.114 20 0 CGADMM CCCC[C@H](CC)CC(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC000509998519 392779591 /nfs/dbraw/zinc/77/95/91/392779591.db2.gz NUWQZHQOHRNURP-NSHDSACASA-N -1 1 295.383 3.131 20 0 CGADMM CCCC[C@H](CC)CC(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC000509998519 392779595 /nfs/dbraw/zinc/77/95/95/392779595.db2.gz NUWQZHQOHRNURP-NSHDSACASA-N -1 1 295.383 3.131 20 0 CGADMM O=C(NC1C2CC3CC(C2)CC1C3)c1ccc([O-])cc1F ZINC000393307517 392931716 /nfs/dbraw/zinc/93/17/16/392931716.db2.gz FUZMTHXCGBDBBF-UHFFFAOYSA-N -1 1 289.350 3.086 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cncc(C)c2)n1 ZINC000194967600 392948664 /nfs/dbraw/zinc/94/86/64/392948664.db2.gz JFEVSLCXHQNRJS-UHFFFAOYSA-N -1 1 275.377 3.130 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2cc(F)ccc2F)n1 ZINC000195068885 392954397 /nfs/dbraw/zinc/95/43/97/392954397.db2.gz MJEJKFCJMFXZHC-QMMMGPOBSA-N -1 1 296.342 3.464 20 0 CGADMM CCOC(=O)c1cnc(NC(=O)CCCCC(C)(C)C)[n-]1 ZINC000415649185 393180254 /nfs/dbraw/zinc/18/02/54/393180254.db2.gz QADSYBAFRJUVEJ-UHFFFAOYSA-N -1 1 295.383 3.131 20 0 CGADMM CCOC(=O)c1c[n-]c(NC(=O)CCCCC(C)(C)C)n1 ZINC000415649185 393180263 /nfs/dbraw/zinc/18/02/63/393180263.db2.gz QADSYBAFRJUVEJ-UHFFFAOYSA-N -1 1 295.383 3.131 20 0 CGADMM COc1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000416321009 393300437 /nfs/dbraw/zinc/30/04/37/393300437.db2.gz QFMUMUPVWORYCU-AEJSXWLSSA-N -1 1 297.782 3.171 20 0 CGADMM C[C@@H](c1nc(-c2ccc([O-])cc2F)no1)C1CCC1 ZINC000420492091 393489276 /nfs/dbraw/zinc/48/92/76/393489276.db2.gz ILGZAIIBHDSIAY-MRVPVSSYSA-N -1 1 262.284 3.485 20 0 CGADMM Cc1cscc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000488942752 393564116 /nfs/dbraw/zinc/56/41/16/393564116.db2.gz MORSTXLDJJXILQ-UHFFFAOYSA-N -1 1 299.355 3.405 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCCC2(CCCC2)C1 ZINC000438691562 393729722 /nfs/dbraw/zinc/72/97/22/393729722.db2.gz NCRAXMAANJAYOY-UHFFFAOYSA-N -1 1 277.339 3.328 20 0 CGADMM COc1ccccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445470157 393797846 /nfs/dbraw/zinc/79/78/46/393797846.db2.gz JVAFFXMSWZVFGN-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM COc1csc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445482029 393799055 /nfs/dbraw/zinc/79/90/55/393799055.db2.gz OJMFUPIOJWMCHC-UHFFFAOYSA-N -1 1 292.291 3.318 20 0 CGADMM CCCCCc1nnc([N-]C(=O)c2conc2CC)s1 ZINC000666969206 542831014 /nfs/dbraw/zinc/83/10/14/542831014.db2.gz JCOZZEJWPNBTIY-UHFFFAOYSA-N -1 1 294.380 3.074 20 0 CGADMM CC[C@@H]1CCC[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC000452524066 394078133 /nfs/dbraw/zinc/07/81/33/394078133.db2.gz HBYLBHRVOINUJN-MNOVXSKESA-N -1 1 265.328 3.087 20 0 CGADMM CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ncc(Cl)cc1Cl ZINC000455646066 394281034 /nfs/dbraw/zinc/28/10/34/394281034.db2.gz RRWUZIRWACSEJM-QMMMGPOBSA-N -1 1 291.178 3.074 20 0 CGADMM CC[C@H](C)N(CC(=O)[O-])Cc1ncc(Cl)cc1Cl ZINC000455646066 394281038 /nfs/dbraw/zinc/28/10/38/394281038.db2.gz RRWUZIRWACSEJM-QMMMGPOBSA-N -1 1 291.178 3.074 20 0 CGADMM O=C(Cc1ccc(Cl)s1)Nc1c([O-])cccc1F ZINC000669908793 543132944 /nfs/dbraw/zinc/13/29/44/543132944.db2.gz KAHNGUJYSSNDQC-UHFFFAOYSA-N -1 1 285.727 3.427 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccnn1C1CCCC1 ZINC000676051270 543379404 /nfs/dbraw/zinc/37/94/04/543379404.db2.gz RCMMSJAKJBRRTB-UHFFFAOYSA-N -1 1 289.310 3.095 20 0 CGADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])C1CCCC1 ZINC000676055797 543379904 /nfs/dbraw/zinc/37/99/04/543379904.db2.gz PCEJTBXRZXLBSU-VIFPVBQESA-N -1 1 251.301 3.296 20 0 CGADMM CSc1ccncc1[N-]C(=O)c1cc(C(C)C)on1 ZINC000677873428 543469748 /nfs/dbraw/zinc/46/97/48/543469748.db2.gz FQAXMIWKBFQKLX-UHFFFAOYSA-N -1 1 277.349 3.167 20 0 CGADMM Cc1nc(SC2Cc3ccccc3C2)[n-]c(=O)c1C ZINC000679009968 543582227 /nfs/dbraw/zinc/58/22/27/543582227.db2.gz VRJOBKFHTWLQJE-UHFFFAOYSA-N -1 1 272.373 3.059 20 0 CGADMM CN(CC1CCC1)C(=O)c1cc(Br)ccc1[O-] ZINC000110466405 287131442 /nfs/dbraw/zinc/13/14/42/287131442.db2.gz FOGMLHYIIDSIRG-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM CC1(CNC(=O)c2cc(Cl)ccc2[O-])CCCC1 ZINC000111617326 287135323 /nfs/dbraw/zinc/13/53/23/287135323.db2.gz RVXGGEYNGDOGRS-UHFFFAOYSA-N -1 1 267.756 3.356 20 0 CGADMM Cc1ncc(/C=C/C(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000112404860 287141111 /nfs/dbraw/zinc/14/11/11/287141111.db2.gz RISIVODDWSBFJF-HWKANZROSA-N -1 1 294.763 3.462 20 0 CGADMM CN(CCCc1ccccc1)C(=O)c1c([O-])cccc1F ZINC000119741092 287173505 /nfs/dbraw/zinc/17/35/05/287173505.db2.gz ICJZZBBFTBPMBP-UHFFFAOYSA-N -1 1 287.334 3.236 20 0 CGADMM COc1ccc([C@H](C)NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000124048088 287228935 /nfs/dbraw/zinc/22/89/35/287228935.db2.gz GMOGKIQOQVDCIE-JTQLQIEISA-N -1 1 289.306 3.031 20 0 CGADMM O=C(COc1ccc(Cl)cc1)Nc1c([O-])cccc1F ZINC000078806994 177391231 /nfs/dbraw/zinc/39/12/31/177391231.db2.gz JMPLSHURAADLHR-UHFFFAOYSA-N -1 1 295.697 3.202 20 0 CGADMM COc1cc(-c2nc3cccc(F)c3c(=O)[n-]2)ccc1F ZINC000679462068 543637502 /nfs/dbraw/zinc/63/75/02/543637502.db2.gz HSVBIBMHPMFISI-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM CN(CC(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000679643431 543653202 /nfs/dbraw/zinc/65/32/02/543653202.db2.gz HZBKYCCKLQXNED-UHFFFAOYSA-N -1 1 290.750 3.121 20 0 CGADMM CCN(CCc1ccccc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681018731 543757293 /nfs/dbraw/zinc/75/72/93/543757293.db2.gz OUCZYQAJVMSFII-UHFFFAOYSA-N -1 1 287.334 3.236 20 0 CGADMM C[C@H](CN(C)C(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000681039991 543759770 /nfs/dbraw/zinc/75/97/70/543759770.db2.gz WJGFSFUPYJTLTK-GFCCVEGCSA-N -1 1 287.334 3.407 20 0 CGADMM CCN(C(=O)c1ccc([O-])c(F)c1)[C@@H](C)c1cccnc1 ZINC000681047094 543760134 /nfs/dbraw/zinc/76/01/34/543760134.db2.gz UFIGWPMMLFOCGQ-NSHDSACASA-N -1 1 288.322 3.150 20 0 CGADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc([O-])c(F)c1 ZINC000681047928 543760598 /nfs/dbraw/zinc/76/05/98/543760598.db2.gz VOWOFFWINOGHOP-NXEZZACHSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc([O-])c(F)c1 ZINC000681047232 543760740 /nfs/dbraw/zinc/76/07/40/543760740.db2.gz YDHWSBKYUOQCPX-NWDGAFQWSA-N -1 1 279.355 3.478 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC2(CC2)c2ccccc21 ZINC000681048681 543760884 /nfs/dbraw/zinc/76/08/84/543760884.db2.gz NFLIHXHREGYLFX-UHFFFAOYSA-N -1 1 283.302 3.223 20 0 CGADMM Cc1cccc2c1N(C(=O)c1ccc([O-])c(F)c1)CC2 ZINC000681053167 543761561 /nfs/dbraw/zinc/76/15/61/543761561.db2.gz KPFJEJUZKCRGKR-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM O=C(Nc1cccc(OCCF)c1)c1ccc([O-])c(F)c1 ZINC000681055285 543762301 /nfs/dbraw/zinc/76/23/01/543762301.db2.gz CVOGAWWIIJZJFE-UHFFFAOYSA-N -1 1 293.269 3.132 20 0 CGADMM CCC[C@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681055685 543762595 /nfs/dbraw/zinc/76/25/95/543762595.db2.gz QCTQROSHBHABGJ-NSHDSACASA-N -1 1 265.328 3.184 20 0 CGADMM Cc1ccc([C@H]2CCN(C(=O)c3ccc([O-])c(F)c3)C2)cc1 ZINC000681070194 543762791 /nfs/dbraw/zinc/76/27/91/543762791.db2.gz QJROTKLUVUUXBX-HNNXBMFYSA-N -1 1 299.345 3.469 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC000681069530 543763029 /nfs/dbraw/zinc/76/30/29/543763029.db2.gz GMBXIDRHYWUEPZ-JTQLQIEISA-N -1 1 265.328 3.040 20 0 CGADMM CC(C)(C)[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681069799 543763372 /nfs/dbraw/zinc/76/33/72/543763372.db2.gz MGRCOHURJJGRBG-NSHDSACASA-N -1 1 265.328 3.040 20 0 CGADMM C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc([O-])c(F)c3)C2)C1 ZINC000681069072 543763390 /nfs/dbraw/zinc/76/33/90/543763390.db2.gz ULLLCJZLUAZRHW-MEDUHNTESA-N -1 1 277.339 3.184 20 0 CGADMM Cc1cc(NC(=O)c2cncc([O-])c2)cc(C(F)(F)F)c1 ZINC000683119849 543897211 /nfs/dbraw/zinc/89/72/11/543897211.db2.gz IAHWKBBUTDBMQE-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM COC1CCC(c2nc(-c3ccc([O-])c(F)c3)no2)CC1 ZINC000685366092 544063403 /nfs/dbraw/zinc/06/34/03/544063403.db2.gz DXFVGGVVRTXBIB-UHFFFAOYSA-N -1 1 292.310 3.254 20 0 CGADMM Cc1n[nH]c(C)c1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872970 544035408 /nfs/dbraw/zinc/03/54/08/544035408.db2.gz NMGTZXGJKGMFPI-UHFFFAOYSA-N -1 1 299.252 3.003 20 0 CGADMM O=C(Nc1ccccc1OC(F)F)c1cc(F)ccc1[O-] ZINC000132867100 287412088 /nfs/dbraw/zinc/41/20/88/287412088.db2.gz AGIFSHITNPVQAN-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM O=C(Nc1cc(F)c(F)cc1F)c1cc(F)ccc1[O-] ZINC000132889656 287412868 /nfs/dbraw/zinc/41/28/68/287412868.db2.gz OKHMWUAGFVYUNH-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1F)c1cc(F)ccc1[O-] ZINC000132889881 287412909 /nfs/dbraw/zinc/41/29/09/287412909.db2.gz XYNQUMACVWUUQF-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM CSc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000192932816 227395864 /nfs/dbraw/zinc/39/58/64/227395864.db2.gz ZMGLFLYQTOVJMG-UHFFFAOYSA-N -1 1 275.329 3.072 20 0 CGADMM CC[C@H]1c2ccccc2CCN1Cc1cc(C(=O)[O-])co1 ZINC000652414600 418965322 /nfs/dbraw/zinc/96/53/22/418965322.db2.gz INUDCCUVYWWXHZ-INIZCTEOSA-N -1 1 285.343 3.487 20 0 CGADMM C[C@@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])C[C@H](C)S1 ZINC000652403039 418962442 /nfs/dbraw/zinc/96/24/42/418962442.db2.gz VXALEDIUTXZHDU-AOOOYVTPSA-N -1 1 299.823 3.364 20 0 CGADMM CC1(C)CC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000664849044 419014335 /nfs/dbraw/zinc/01/43/35/419014335.db2.gz BAIGYPXAVSQMLM-JTQLQIEISA-N -1 1 262.284 3.485 20 0 CGADMM COc1cc(C(=O)N2CCC23CCCC3)cc(Cl)c1[O-] ZINC000652580441 418984230 /nfs/dbraw/zinc/98/42/30/418984230.db2.gz OXEXQIWQGKPUJC-UHFFFAOYSA-N -1 1 295.766 3.213 20 0 CGADMM Cc1ccc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)nc1 ZINC000659794014 418993291 /nfs/dbraw/zinc/99/32/91/418993291.db2.gz GZKCYFJEJOYVJO-IRXDYDNUSA-N -1 1 296.370 3.180 20 0 CGADMM O=C(Nc1ccccc1NC1CCC1)c1cncc([O-])c1 ZINC000652790346 418993575 /nfs/dbraw/zinc/99/35/75/418993575.db2.gz XKMRANUAUVCZNE-UHFFFAOYSA-N -1 1 283.331 3.004 20 0 CGADMM CN(Cc1ccc(Cl)cc1Cl)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659801840 418994155 /nfs/dbraw/zinc/99/41/55/418994155.db2.gz KSYWJGSULVTHSA-JGZJWPJOSA-N -1 1 288.174 3.288 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1cnc(C2CC2)s1 ZINC000652877318 418997663 /nfs/dbraw/zinc/99/76/63/418997663.db2.gz UZVQHGBBKRXJRZ-UHFFFAOYSA-N -1 1 291.401 3.390 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1oc(C2CC2)nc1C ZINC000652877827 418998982 /nfs/dbraw/zinc/99/89/82/418998982.db2.gz IGKCTOUIGLUCDO-UHFFFAOYSA-N -1 1 289.360 3.230 20 0 CGADMM CC1(C)CC[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000666314620 419207845 /nfs/dbraw/zinc/20/78/45/419207845.db2.gz VFHJEOVNCPBTGT-LBPRGKRZSA-N -1 1 285.347 3.157 20 0 CGADMM O=C([O-])C12CC(C1)CN2Cc1ccc(Cl)cc1Cl ZINC000656759326 419211291 /nfs/dbraw/zinc/21/12/91/419211291.db2.gz CIRATSJWLRAAND-UHFFFAOYSA-N -1 1 286.158 3.042 20 0 CGADMM O=C([O-])c1cccc(CNCc2scnc2C2CC2)c1 ZINC000666583516 419228314 /nfs/dbraw/zinc/22/83/14/419228314.db2.gz UKEKCUIHBZATMO-UHFFFAOYSA-N -1 1 288.372 3.009 20 0 CGADMM COc1ccc(C(=O)Nc2cccc(F)c2C)c([O-])c1 ZINC000043322347 270034022 /nfs/dbraw/zinc/03/40/22/270034022.db2.gz HVNLZXFQVKBHQW-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM CC(C)(C)Oc1ccncc1NC(=O)c1ccccc1[O-] ZINC000158053047 270052595 /nfs/dbraw/zinc/05/25/95/270052595.db2.gz FAJXMHNUSYYNGI-UHFFFAOYSA-N -1 1 286.331 3.217 20 0 CGADMM C[C@H](CNC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000228835982 270087865 /nfs/dbraw/zinc/08/78/65/270087865.db2.gz DYEDYJWFQYHEAZ-LLVKDONJSA-N -1 1 273.307 3.065 20 0 CGADMM O=C(NCCC1=CCCC1)c1ccc(Cl)cc1[O-] ZINC000229000131 270088162 /nfs/dbraw/zinc/08/81/62/270088162.db2.gz VSYOPAXDKXJWKI-UHFFFAOYSA-N -1 1 265.740 3.276 20 0 CGADMM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2cccc(F)c2[O-])C1(C)C ZINC000530007200 288282498 /nfs/dbraw/zinc/28/24/98/288282498.db2.gz ZZBWIVLTTDRMQM-UWVGGRQHSA-N -1 1 293.338 3.111 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN1CCC(F)(F)C[C@H]1C ZINC000530174744 288293487 /nfs/dbraw/zinc/29/34/87/288293487.db2.gz ZWOPYYXQWOAHBD-MRVPVSSYSA-N -1 1 289.347 3.374 20 0 CGADMM CCCN(Cc1ccc(C)cc1)C(=O)c1ncc(C)cc1[O-] ZINC000548627393 289013679 /nfs/dbraw/zinc/01/36/79/289013679.db2.gz VNUPYVHHBHKBBI-UHFFFAOYSA-N -1 1 298.386 3.456 20 0 CGADMM CC[C@H](C)[C@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153863408 321729428 /nfs/dbraw/zinc/72/94/28/321729428.db2.gz CZBNMXRHBOUZIH-IUCAKERBSA-N -1 1 285.771 3.219 20 0 CGADMM O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc(Cl)cc1[O-] ZINC000565008389 322054324 /nfs/dbraw/zinc/05/43/24/322054324.db2.gz YDWWZCRDUFGNLG-VHSXEESVSA-N -1 1 271.719 3.056 20 0 CGADMM O=C(N[C@H]1CCC[C@@H](F)C1)c1ccc(Cl)cc1[O-] ZINC000565008390 322054372 /nfs/dbraw/zinc/05/43/72/322054372.db2.gz YDWWZCRDUFGNLG-ZJUUUORDSA-N -1 1 271.719 3.056 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000568883165 322226260 /nfs/dbraw/zinc/22/62/60/322226260.db2.gz SDLXMZOAWJVGHE-VWYCJHECSA-N -1 1 283.318 3.068 20 0 CGADMM C[C@H](c1c(F)cccc1F)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000568883162 322226274 /nfs/dbraw/zinc/22/62/74/322226274.db2.gz SDLXMZOAWJVGHE-GMTAPVOTSA-N -1 1 283.318 3.068 20 0 CGADMM CCC[C@H](CCc1ccccc1)NC(=O)c1cncc([O-])c1 ZINC000571466518 322299776 /nfs/dbraw/zinc/29/97/76/322299776.db2.gz FLMTUOSRRYNPKH-MRXNPFEDSA-N -1 1 298.386 3.319 20 0 CGADMM Cc1ccc2ccnc([N-]S(=O)(=O)CCC3CC3)c2c1 ZINC000577078472 335296776 /nfs/dbraw/zinc/29/67/76/335296776.db2.gz XQAKIROJUFZORG-UHFFFAOYSA-N -1 1 290.388 3.085 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H](C)[C@@H]2CC3CCC2CC3)s[n-]1 ZINC000381924551 336077701 /nfs/dbraw/zinc/07/77/01/336077701.db2.gz OQSMMLQTLYHCRK-SYFKIGIZSA-N -1 1 295.452 3.294 20 0 CGADMM C[C@]1(C(=O)[O-])CCN(Cc2csc(C3CCCC3)n2)C1 ZINC000581494722 336089852 /nfs/dbraw/zinc/08/98/52/336089852.db2.gz ZCUFLAIYVKORPE-HNNXBMFYSA-N -1 1 294.420 3.097 20 0 CGADMM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000581761056 336143265 /nfs/dbraw/zinc/14/32/65/336143265.db2.gz WJDKMRYDCKULCW-VXGBXAGGSA-N -1 1 293.388 3.147 20 0 CGADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1cncs1 ZINC000436839233 533750651 /nfs/dbraw/zinc/75/06/51/533750651.db2.gz NRAUEVIUDUCPOZ-JTQLQIEISA-N -1 1 298.367 3.493 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)[C@H](C)CC(C)(C)C)c1 ZINC000436507179 534231584 /nfs/dbraw/zinc/23/15/84/534231584.db2.gz VNQPLUDPUVZLOP-SNVBAGLBSA-N -1 1 293.363 3.190 20 0 CGADMM Cc1nc(CNCc2coc3ccccc23)ccc1C(=O)[O-] ZINC000426659486 534386849 /nfs/dbraw/zinc/38/68/49/534386849.db2.gz GEVUCCWMHQAZDM-UHFFFAOYSA-N -1 1 296.326 3.124 20 0 CGADMM [O-]c1ccc(-c2noc(C3(F)CCCC3)n2)cc1F ZINC000436879427 534451171 /nfs/dbraw/zinc/45/11/71/534451171.db2.gz NLIZCNFAPJISPR-UHFFFAOYSA-N -1 1 266.247 3.320 20 0 CGADMM CC(C)c1csc(CNC(=O)c2c([O-])cccc2F)n1 ZINC000130055618 519854568 /nfs/dbraw/zinc/85/45/68/519854568.db2.gz SWDUZRJSJFLYLS-UHFFFAOYSA-N -1 1 294.351 3.041 20 0 CGADMM O=C([O-])C[C@@H](NCc1cc(F)cc(F)c1)c1ccsc1 ZINC000426688977 534502614 /nfs/dbraw/zinc/50/26/14/534502614.db2.gz SWEFZYMLTCYCCI-CYBMUJFWSA-N -1 1 297.326 3.332 20 0 CGADMM O=C([O-])[C@H](NCc1cccc2[nH]ccc21)c1cccs1 ZINC000426780646 534531661 /nfs/dbraw/zinc/53/16/61/534531661.db2.gz UVBTVYXNSDFPCJ-CQSZACIVSA-N -1 1 286.356 3.145 20 0 CGADMM O=C(N[C@H](C1CC1)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000436843505 534783753 /nfs/dbraw/zinc/78/37/53/534783753.db2.gz HYWZMJJUZXRUMY-SNVBAGLBSA-N -1 1 293.672 3.116 20 0 CGADMM O=C(Nc1ccc(C2CCC2)cn1)c1cc(F)ccc1[O-] ZINC000436732227 534824999 /nfs/dbraw/zinc/82/49/99/534824999.db2.gz SUWHDEHDIXDAOY-UHFFFAOYSA-N -1 1 286.306 3.446 20 0 CGADMM O=S(=O)([N-]c1ccsc1)c1ccc2ncccc2c1 ZINC000438778276 534872283 /nfs/dbraw/zinc/87/22/83/534872283.db2.gz QXLRKDWMENAHGO-UHFFFAOYSA-N -1 1 290.369 3.097 20 0 CGADMM CC(=O)CC(C)(C)Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000436875632 526407301 /nfs/dbraw/zinc/40/73/01/526407301.db2.gz VKQLAHGUUHHPCK-UHFFFAOYSA-N -1 1 292.310 3.129 20 0 CGADMM CC(C)(NC(=O)c1cc(F)ccc1[O-])c1cccs1 ZINC000436548142 527283305 /nfs/dbraw/zinc/28/33/05/527283305.db2.gz PPIUGKGGPLLRAB-UHFFFAOYSA-N -1 1 279.336 3.258 20 0 CGADMM CCC1(NC(=O)c2ccc(Br)cc2[O-])CCC1 ZINC000162948178 527796169 /nfs/dbraw/zinc/79/61/69/527796169.db2.gz ZIQYYWGDPDAHBL-UHFFFAOYSA-N -1 1 298.180 3.217 20 0 CGADMM CC1(C2CC2)CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000436612227 527905900 /nfs/dbraw/zinc/90/59/00/527905900.db2.gz WTNYXVMQSXREAN-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM CCCN(CCC)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436560166 528050981 /nfs/dbraw/zinc/05/09/81/528050981.db2.gz BUBZHSQQFPNGFW-UHFFFAOYSA-N -1 1 285.771 3.316 20 0 CGADMM CCCc1csc(NC(=O)c2ccc(OC)cc2[O-])n1 ZINC000436624614 528677781 /nfs/dbraw/zinc/67/77/81/528677781.db2.gz KFPDPCPDPNACQY-UHFFFAOYSA-N -1 1 292.360 3.062 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000436893658 528736118 /nfs/dbraw/zinc/73/61/18/528736118.db2.gz ONUUGAKUUMBBSR-INIZCTEOSA-N -1 1 299.370 3.042 20 0 CGADMM CCn1c(Cc2ccccc2Cl)n[n-]c1=NC(C)(C)C ZINC000463102316 535987075 /nfs/dbraw/zinc/98/70/75/535987075.db2.gz PQLAAFDUUVLZMM-UHFFFAOYSA-N -1 1 292.814 3.175 20 0 CGADMM O=C(NCc1cc(F)ccc1F)c1c([O-])cccc1Cl ZINC000729541257 571924451 /nfs/dbraw/zinc/92/44/51/571924451.db2.gz ZQOACHHFVDJBQR-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM O=C([O-])c1ccoc1CN1CCCC[C@H]1c1ccco1 ZINC000740248568 572437976 /nfs/dbraw/zinc/43/79/76/572437976.db2.gz FCTBAUVNFJERLT-LBPRGKRZSA-N -1 1 275.304 3.298 20 0 CGADMM O=C([O-])c1coc(CN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000740268606 572438514 /nfs/dbraw/zinc/43/85/14/572438514.db2.gz IFFKQVVMOIFYCU-OAHLLOKOSA-N -1 1 287.315 3.021 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CNC1(c2ccccc2)CC1 ZINC000738964233 572545313 /nfs/dbraw/zinc/54/53/13/572545313.db2.gz RKVYHPMAUGUCGR-UHFFFAOYSA-N -1 1 271.316 3.065 20 0 CGADMM O=C1N[C@H](c2ccc([O-])c(Cl)c2)Nc2cc(F)ccc21 ZINC000742670377 572605592 /nfs/dbraw/zinc/60/55/92/572605592.db2.gz DCWJBLFHDMXYKG-CYBMUJFWSA-N -1 1 292.697 3.039 20 0 CGADMM CC(C)CCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000735797977 572743162 /nfs/dbraw/zinc/74/31/62/572743162.db2.gz TVFLTEMYILDPQF-UHFFFAOYSA-N -1 1 296.378 3.263 20 0 CGADMM CC(C)CCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000735797977 572743164 /nfs/dbraw/zinc/74/31/64/572743164.db2.gz TVFLTEMYILDPQF-UHFFFAOYSA-N -1 1 296.378 3.263 20 0 CGADMM O=C(OCc1cccc(Cl)n1)c1c([O-])cc(F)cc1F ZINC000744880287 572780856 /nfs/dbraw/zinc/78/08/56/572780856.db2.gz MYYOLKWROHBNAG-UHFFFAOYSA-N -1 1 299.660 3.076 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1cccc(C)c1 ZINC000830363753 601413564 /nfs/dbraw/zinc/41/35/64/601413564.db2.gz XOTIDIUTJGILDV-UHFFFAOYSA-N -1 1 287.359 3.481 20 0 CGADMM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000050508372 601511230 /nfs/dbraw/zinc/51/12/30/601511230.db2.gz WOBRHNUPFMISKH-ZUZCIYMTSA-N -1 1 291.297 3.441 20 0 CGADMM Cc1[n-]n(-c2cc(Cl)ccc2C)c(=O)c1C1CC1 ZINC000899362371 620669613 /nfs/dbraw/zinc/66/96/13/620669613.db2.gz RFXAYVJNEBZCNK-CYBMUJFWSA-N -1 1 262.740 3.397 20 0 CGADMM Cc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000071396035 604331791 /nfs/dbraw/zinc/33/17/91/604331791.db2.gz GOQDLGMHHABWIY-LLVKDONJSA-N -1 1 259.305 3.137 20 0 CGADMM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccoc1 ZINC000834262933 605586759 /nfs/dbraw/zinc/58/67/59/605586759.db2.gz NZNXTKHGJVLACI-AWEZNQCLSA-N -1 1 272.304 3.147 20 0 CGADMM O=C([O-])Nc1cccc(CN(Cc2ccncc2)C2CC2)c1 ZINC000834269357 605812160 /nfs/dbraw/zinc/81/21/60/605812160.db2.gz UHKBSBSQSIXZSH-UHFFFAOYSA-N -1 1 297.358 3.336 20 0 CGADMM c1ccc2cc(Oc3cccc(-c4nnn[n-]4)n3)ccc2c1 ZINC000826517887 607895156 /nfs/dbraw/zinc/89/51/56/607895156.db2.gz SBRQUTZQAZJGCE-UHFFFAOYSA-N -1 1 289.298 3.207 20 0 CGADMM c1ccc2cc(Oc3cccc(-c4nn[n-]n4)n3)ccc2c1 ZINC000826517887 607895157 /nfs/dbraw/zinc/89/51/57/607895157.db2.gz SBRQUTZQAZJGCE-UHFFFAOYSA-N -1 1 289.298 3.207 20 0 CGADMM CC(C)CC(=O)Nc1cccc([O-])c1Br ZINC000908718371 622366685 /nfs/dbraw/zinc/36/66/85/622366685.db2.gz WHZRCGKVDGYELZ-UHFFFAOYSA-N -1 1 272.142 3.139 20 0 CGADMM CC(C)c1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000899922125 620738005 /nfs/dbraw/zinc/73/80/05/620738005.db2.gz LZMZSHUOXNHVTH-UHFFFAOYSA-N -1 1 297.358 3.435 20 0 CGADMM CCCCCC[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900081384 620758798 /nfs/dbraw/zinc/75/87/98/620758798.db2.gz DMTSMDGGYZMFSL-LLVKDONJSA-N -1 1 291.395 3.148 20 0 CGADMM Cc1sc(CNCc2cc(C)ccc2C)nc1C(=O)[O-] ZINC000900064558 620757159 /nfs/dbraw/zinc/75/71/59/620757159.db2.gz OESPIJCTUIYJLB-UHFFFAOYSA-N -1 1 290.388 3.056 20 0 CGADMM CC(C)[S@](C)(=O)=NC(=O)c1cc2sccc2c([O-])c1 ZINC000926058080 617951289 /nfs/dbraw/zinc/95/12/89/617951289.db2.gz KXKQSVMVECZLKF-IBGZPJMESA-N -1 1 297.401 3.253 20 0 CGADMM C[C@H]1CCC[C@H](c2noc(-c3ccc(N)cc3[O-])n2)C1 ZINC000044977635 618618372 /nfs/dbraw/zinc/61/83/72/618618372.db2.gz RWNSTRXTPCYGGY-UWVGGRQHSA-N -1 1 273.336 3.318 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc2[nH]ccc21 ZINC000188357646 619250696 /nfs/dbraw/zinc/25/06/96/619250696.db2.gz REKLIYLPMVGONC-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(F)F ZINC000894051108 619358969 /nfs/dbraw/zinc/35/89/69/619358969.db2.gz YXXFOYJVAXPBHW-ZCFIWIBFSA-N -1 1 283.652 3.202 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2ccc(F)cc2C(F)(F)F)S1 ZINC000149865631 619703175 /nfs/dbraw/zinc/70/31/75/619703175.db2.gz FZVUNMOVPIYVHQ-FPYGCLRLSA-N -1 1 291.225 3.168 20 0 CGADMM CC(C)c1nsc([N-]c2cnn(C3CCC3)c2)n1 ZINC000897103045 620143925 /nfs/dbraw/zinc/14/39/25/620143925.db2.gz OTFNHQJJVRMETF-UHFFFAOYSA-N -1 1 263.370 3.327 20 0 CGADMM Cc1cc(F)ccc1-c1ccc(CN(C)[C@@H](C)C(=O)[O-])o1 ZINC000263441246 620319322 /nfs/dbraw/zinc/31/93/22/620319322.db2.gz WNILTQAKBOIDCT-NSHDSACASA-N -1 1 291.322 3.299 20 0 CGADMM CC[C@@H](CSc1nc(-c2ccccc2)cc(=O)[n-]1)OC ZINC000901615068 620954150 /nfs/dbraw/zinc/95/41/50/620954150.db2.gz CAVRATOTRSPQRP-LBPRGKRZSA-N -1 1 290.388 3.366 20 0 CGADMM CC(C)c1ncc(CN2CCCCC[C@H]2C(=O)[O-])s1 ZINC000902034346 621123809 /nfs/dbraw/zinc/12/38/09/621123809.db2.gz KBISJKXATDBSBS-LBPRGKRZSA-N -1 1 282.409 3.096 20 0 CGADMM Cc1oc(CNCc2ccc(F)c(C)c2)cc1C(=O)[O-] ZINC000902085837 621139166 /nfs/dbraw/zinc/13/91/66/621139166.db2.gz YNZGMFOXRLOSJZ-UHFFFAOYSA-N -1 1 277.295 3.024 20 0 CGADMM Cc1cc(CNCCOC2CCCCCC2)oc1C(=O)[O-] ZINC000902258636 621212329 /nfs/dbraw/zinc/21/23/29/621212329.db2.gz XAEQPXFNHNNZHB-UHFFFAOYSA-N -1 1 295.379 3.115 20 0 CGADMM CC(C)CCC1CCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC000902410633 621295644 /nfs/dbraw/zinc/29/56/44/621295644.db2.gz VLOYPMRMHOFDAS-UHFFFAOYSA-N -1 1 280.368 3.021 20 0 CGADMM CC(C)(C)C(F)(F)CNC1CCC(CC(=O)[O-])CC1 ZINC000902470324 621341322 /nfs/dbraw/zinc/34/13/22/621341322.db2.gz JJHPEADWASQBPK-UHFFFAOYSA-N -1 1 277.355 3.291 20 0 CGADMM Cc1ccc(CN(C)[C@@H](CCc2ccccc2)C(=O)[O-])o1 ZINC000903886130 621826840 /nfs/dbraw/zinc/82/68/40/621826840.db2.gz XRPBOWPWHBNEPC-INIZCTEOSA-N -1 1 287.359 3.106 20 0 CGADMM Cc1cc(C)nc(CN(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000903900964 621830117 /nfs/dbraw/zinc/83/01/17/621830117.db2.gz WPOXNZPFQWLHHX-UHFFFAOYSA-N -1 1 284.359 3.029 20 0 CGADMM CCCCCC[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903919732 621832742 /nfs/dbraw/zinc/83/27/42/621832742.db2.gz CNMOFDZTWRDLPV-UHFFFAOYSA-N -1 1 277.364 3.160 20 0 CGADMM COc1cc(Cl)ccc1CN1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000903939697 621838312 /nfs/dbraw/zinc/83/83/12/621838312.db2.gz YEVLSWSTLPSPLR-QWRGUYRKSA-N -1 1 297.782 3.034 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2ccc(F)c(C(F)(F)F)c2)S1 ZINC000149003820 622096097 /nfs/dbraw/zinc/09/60/97/622096097.db2.gz YSNJHCDEHINOSV-XBXARRHUSA-N -1 1 291.225 3.168 20 0 CGADMM Cc1[nH]nc2ccc(-c3cn(C(C)C)nc3C(=O)[O-])cc12 ZINC000906238052 622204108 /nfs/dbraw/zinc/20/41/08/622204108.db2.gz BWHBDUHFVCCWDZ-UHFFFAOYSA-N -1 1 284.319 3.014 20 0 CGADMM CC1(C)CC[C@H](C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909985641 622442072 /nfs/dbraw/zinc/44/20/72/622442072.db2.gz NOGJQAWVPWHUPU-QMMMGPOBSA-N -1 1 269.291 3.435 20 0 CGADMM CC[C@@H](OC1CCCC1)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909980607 622442610 /nfs/dbraw/zinc/44/26/10/622442610.db2.gz BWIODAIEDGCJRL-CQSZACIVSA-N -1 1 299.317 3.347 20 0 CGADMM O=C(CCC1CCC1)Nc1cc([O-])c(F)cc1F ZINC000909982964 622444675 /nfs/dbraw/zinc/44/46/75/622444675.db2.gz OKFHLLRUSQAKIA-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM CC(C)C(C)(C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910993812 622513778 /nfs/dbraw/zinc/51/37/78/622513778.db2.gz RKXMNWHZDXJUAM-UHFFFAOYSA-N -1 1 257.280 3.291 20 0 CGADMM CO[C@H]1CCC[C@H](CC(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910988359 622514354 /nfs/dbraw/zinc/51/43/54/622514354.db2.gz DLIXNYUEOYMFPV-ONGXEEELSA-N -1 1 299.317 3.204 20 0 CGADMM CC(C)(C(=O)Nc1cc(F)cc(F)c1[O-])C1CC1 ZINC000910988794 622514440 /nfs/dbraw/zinc/51/44/40/622514440.db2.gz UANPUCRMUJTTFL-UHFFFAOYSA-N -1 1 255.264 3.045 20 0 CGADMM CCc1nc(SCC(=O)c2ccsc2)[n-]c(=O)c1C ZINC000912344581 622638618 /nfs/dbraw/zinc/63/86/18/622638618.db2.gz YYEDOMYXIRSPRW-UHFFFAOYSA-N -1 1 294.401 3.090 20 0 CGADMM CCc1ccc(CNCc2cc(C(=O)[O-])c(C)o2)s1 ZINC000224698927 622883786 /nfs/dbraw/zinc/88/37/86/622883786.db2.gz ZJKXEWNFMRFCSV-UHFFFAOYSA-N -1 1 279.361 3.200 20 0 CGADMM O=C([O-])c1coc(CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000228163293 623045116 /nfs/dbraw/zinc/04/51/16/623045116.db2.gz HDQPEWCCTLPSPB-HNNXBMFYSA-N -1 1 271.316 3.219 20 0 CGADMM O=C(OCc1ccccc1)c1ccc(C(=O)OC2CCC2)[n-]1 ZINC000835191756 634388642 /nfs/dbraw/zinc/38/86/42/634388642.db2.gz PFRARVMKXQOYNZ-UHFFFAOYSA-N -1 1 299.326 3.081 20 0 CGADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2coc(C(C)(C)C)n2)C1 ZINC000923473627 626156571 /nfs/dbraw/zinc/15/65/71/626156571.db2.gz TYKZRPRMUNAAMS-MRXNPFEDSA-N -1 1 294.395 3.049 20 0 CGADMM O=C(NC12CCC(CC1)C2)c1c([O-])cccc1Cl ZINC000753132555 626446106 /nfs/dbraw/zinc/44/61/06/626446106.db2.gz JGMOGWWPHQOFLZ-UHFFFAOYSA-N -1 1 265.740 3.108 20 0 CGADMM O=C(NCCC[C@@H]1CCCCO1)c1c([O-])cccc1Cl ZINC000761013295 627008767 /nfs/dbraw/zinc/00/87/67/627008767.db2.gz ORTXRKFWWMSTQD-NSHDSACASA-N -1 1 297.782 3.125 20 0 CGADMM Cc1nc(Cl)ccc1CC(=O)Nc1c([O-])cccc1F ZINC000764278898 627202622 /nfs/dbraw/zinc/20/26/22/627202622.db2.gz IVQSERSSCPULCH-UHFFFAOYSA-N -1 1 294.713 3.069 20 0 CGADMM Cc1ccccc1[C@@H](C)CC(=O)[N-]OCC(F)(F)F ZINC000766763879 627358805 /nfs/dbraw/zinc/35/88/05/627358805.db2.gz DUAVQDHJTCURPJ-JTQLQIEISA-N -1 1 275.270 3.099 20 0 CGADMM CC(C)CCCCCC(=O)[N-]OCC(F)(F)F ZINC000766770099 627359348 /nfs/dbraw/zinc/35/93/48/627359348.db2.gz UGWRCRQPOASBET-UHFFFAOYSA-N -1 1 255.280 3.203 20 0 CGADMM CC(C)c1nsc([N-]C(=O)c2ccc(F)s2)n1 ZINC000874692927 634592952 /nfs/dbraw/zinc/59/29/52/634592952.db2.gz JJVPZSQPVZPZBX-UHFFFAOYSA-N -1 1 271.342 3.114 20 0 CGADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1c([O-])cccc1Cl ZINC000772869658 627829769 /nfs/dbraw/zinc/82/97/69/627829769.db2.gz FAYVMWSIPLRBNJ-NXEZZACHSA-N -1 1 267.756 3.449 20 0 CGADMM C[C@H](CCOc1ccccc1)C(=O)[N-]Oc1ccccc1 ZINC000773464333 627886399 /nfs/dbraw/zinc/88/63/99/627886399.db2.gz GFRWHPRWQODMRK-CQSZACIVSA-N -1 1 285.343 3.202 20 0 CGADMM C[C@H]1CCCC[C@@H]1OCCOC(=O)c1ccc([O-])cc1F ZINC000773566956 627897177 /nfs/dbraw/zinc/89/71/77/627897177.db2.gz RARMEKKFXZASCW-NHYWBVRUSA-N -1 1 296.338 3.283 20 0 CGADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1c([O-])cccc1Cl ZINC000775318412 628081713 /nfs/dbraw/zinc/08/17/13/628081713.db2.gz HOUCKONOPVOOAS-GXSJLCMTSA-N -1 1 267.756 3.306 20 0 CGADMM Cc1nc(SCc2ccc3c(c2)COC3)[n-]c(=O)c1C ZINC000777935751 628312726 /nfs/dbraw/zinc/31/27/26/628312726.db2.gz BPVLJSURISKPDV-UHFFFAOYSA-N -1 1 288.372 3.122 20 0 CGADMM O=C([N-]Oc1ccccc1F)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000874910370 634649888 /nfs/dbraw/zinc/64/98/88/634649888.db2.gz QGJUULXSAIQOAV-DTWKUNHWSA-N -1 1 291.244 3.214 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cccc(OC3CCCC3)c2)S1 ZINC000874927181 634652486 /nfs/dbraw/zinc/65/24/86/634652486.db2.gz DFMXHTWKUFIDLT-UKTHLTGXSA-N -1 1 289.356 3.332 20 0 CGADMM CC(C)(C)Oc1cccc(C=C2SC(=O)[N-]C2=O)c1 ZINC000874930246 634655256 /nfs/dbraw/zinc/65/52/56/634655256.db2.gz YWEMOKYVDNDDER-DHZHZOJOSA-N -1 1 277.345 3.188 20 0 CGADMM COc1ccc(C=C2SC(=O)[N-]C2=O)cc1C(C)(C)C ZINC000874929730 634655594 /nfs/dbraw/zinc/65/55/94/634655594.db2.gz OBJBPXGGUPPIPD-WQLSENKSSA-N -1 1 291.372 3.317 20 0 CGADMM Cc1noc(C2CC2)c1[N-]C(=O)c1csc(Cl)n1 ZINC000781978830 628608198 /nfs/dbraw/zinc/60/81/98/628608198.db2.gz SZEFADQTRGMAEM-UHFFFAOYSA-N -1 1 283.740 3.223 20 0 CGADMM CC(C)C(C)(C)CNC(=O)c1c([O-])cccc1Cl ZINC000783812792 628748715 /nfs/dbraw/zinc/74/87/15/628748715.db2.gz IENAHWSOBPSITH-UHFFFAOYSA-N -1 1 269.772 3.458 20 0 CGADMM O=C(OCc1csc(C2CC2)n1)c1ccc([O-])cc1F ZINC000784517037 628818753 /nfs/dbraw/zinc/81/87/53/628818753.db2.gz LOROAEOPMAVDII-UHFFFAOYSA-N -1 1 293.319 3.222 20 0 CGADMM C[C@@H]([N-]C(=O)C(F)F)c1cccc(OC(F)(F)F)c1 ZINC000787416622 629011664 /nfs/dbraw/zinc/01/16/64/629011664.db2.gz IGCKVTRTWGTISW-ZCFIWIBFSA-N -1 1 283.196 3.028 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1nc(Cl)cs1 ZINC000790006403 629178651 /nfs/dbraw/zinc/17/86/51/629178651.db2.gz FZFRWJZLZNVTAU-UHFFFAOYSA-N -1 1 289.143 3.408 20 0 CGADMM CCC(F)(F)C[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000862900921 629447923 /nfs/dbraw/zinc/44/79/23/629447923.db2.gz FLIMIMYHQOWUBV-UHFFFAOYSA-N -1 1 281.224 3.079 20 0 CGADMM O=C(NCc1cccnc1F)c1ccc2ccccc2c1[O-] ZINC000794009959 629512501 /nfs/dbraw/zinc/51/25/01/629512501.db2.gz SIMBNZMMRROIIC-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1C(C)=O ZINC000798247033 630041579 /nfs/dbraw/zinc/04/15/79/630041579.db2.gz NCZDPZXONGUEFD-GFCCVEGCSA-N -1 1 283.393 3.210 20 0 CGADMM Cc1cnc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)s1 ZINC000865373155 630081148 /nfs/dbraw/zinc/08/11/48/630081148.db2.gz HZGVKIJOKMNOER-UHFFFAOYSA-N -1 1 293.417 3.425 20 0 CGADMM COc1ccccc1CO[N-]C(=O)[C@@H](C)c1ccsc1 ZINC000799090302 630140797 /nfs/dbraw/zinc/14/07/97/630140797.db2.gz KNHRKJCCKNICAE-NSHDSACASA-N -1 1 291.372 3.108 20 0 CGADMM C[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394882 634826805 /nfs/dbraw/zinc/82/68/05/634826805.db2.gz PTJMSSJSBLNXIU-SNVBAGLBSA-N -1 1 282.771 3.130 20 0 CGADMM O=C(NOCCC1CC1)c1ccc2ccccc2c1[O-] ZINC000817430170 632153889 /nfs/dbraw/zinc/15/38/89/632153889.db2.gz SWDGZSIPFWTIOC-UHFFFAOYSA-N -1 1 271.316 3.007 20 0 CGADMM CC1(C(=O)Nc2ccc([O-])c(F)c2F)CC(F)(F)C1 ZINC000823438674 633106251 /nfs/dbraw/zinc/10/62/51/633106251.db2.gz GUVPKJRKBKXQEO-UHFFFAOYSA-N -1 1 277.217 3.044 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000824622921 633265464 /nfs/dbraw/zinc/26/54/64/633265464.db2.gz MNLLMCYRCDKQJB-ZSBIGDGJSA-N -1 1 263.312 3.062 20 0 CGADMM C/C(=C/c1ccc(Cl)cc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000123315148 633642916 /nfs/dbraw/zinc/64/29/16/633642916.db2.gz FMYMYBLXSGFMBU-IWMPZKFUSA-N -1 1 295.766 3.318 20 0 CGADMM Cc1cccc([C@@H](C)C(=O)[N-]OCCCC(F)(F)F)c1 ZINC000871212895 633729186 /nfs/dbraw/zinc/72/91/86/633729186.db2.gz ICPHYSMJXREXBC-LLVKDONJSA-N -1 1 289.297 3.489 20 0 CGADMM CCc1nc(C)c([N-]S(=O)(=O)C2=CCCCC2)s1 ZINC000829921765 633809899 /nfs/dbraw/zinc/80/98/99/633809899.db2.gz XOEWZKLXKMPLEW-UHFFFAOYSA-N -1 1 286.422 3.214 20 0 CGADMM Cc1ccsc1CN[C@H](C(=O)[O-])c1ccccc1C ZINC000871882343 633909378 /nfs/dbraw/zinc/90/93/78/633909378.db2.gz GBANKUGOPYHQJN-AWEZNQCLSA-N -1 1 275.373 3.280 20 0 CGADMM Cc1cc(Cl)ccc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000871944938 633922245 /nfs/dbraw/zinc/92/22/45/633922245.db2.gz UMYPYNWLQCEIMI-SDBXPKJASA-N -1 1 262.740 3.397 20 0 CGADMM CCc1c(C)[n-]n(-c2cc(Cl)ccc2F)c1=O ZINC000871963831 633930429 /nfs/dbraw/zinc/93/04/29/633930429.db2.gz SZFAWPIPZDHIKU-SECBINFHSA-N -1 1 254.692 3.228 20 0 CGADMM CCCc1[n-]n(C[C@H]2CCCC2(F)F)c(=O)c1CC ZINC000871963472 633930523 /nfs/dbraw/zinc/93/05/23/633930523.db2.gz NWQPOYIDNAOBDH-GHMZBOCLSA-N -1 1 272.339 3.446 20 0 CGADMM CCc1c(=O)n([C@@H]2CCOC3(CCCC3)C2)[n-]c1C(C)C ZINC000871964722 633931939 /nfs/dbraw/zinc/93/19/39/633931939.db2.gz XXBCBEGNDLGACG-KGLIPLIRSA-N -1 1 292.423 3.359 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CCCC12CCC2 ZINC000834552632 634181489 /nfs/dbraw/zinc/18/14/89/634181489.db2.gz RCVKGYJAUKBVIP-UHFFFAOYSA-N -1 1 282.343 3.099 20 0 CGADMM C[C@H](C(=O)NCc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000834829169 634250345 /nfs/dbraw/zinc/25/03/45/634250345.db2.gz NIHCRVGPHQNOBS-SECBINFHSA-N -1 1 269.772 3.344 20 0 CGADMM O=C(N[C@@H](C1CC1)C1CCC1)c1c([O-])cccc1Cl ZINC000837249447 634876969 /nfs/dbraw/zinc/87/69/69/634876969.db2.gz MTUIPMQWOYKFMO-CQSZACIVSA-N -1 1 279.767 3.354 20 0 CGADMM CCCC(=CC(=O)Nc1nc(C(=O)OCC)c[n-]1)CCC ZINC000841222153 635137507 /nfs/dbraw/zinc/13/75/07/635137507.db2.gz QMYLLQDPZSCDSQ-UHFFFAOYSA-N -1 1 293.367 3.052 20 0 CGADMM Cc1cccc2c1N[C@@H](c1cccc([O-])c1Cl)NC2=O ZINC000877845720 635239933 /nfs/dbraw/zinc/23/99/33/635239933.db2.gz KVPCQJAVSAKOJD-CQSZACIVSA-N -1 1 288.734 3.208 20 0 CGADMM Cc1ccc(N(CC2CC2)C(=O)c2cncc([O-])c2)cc1 ZINC000923674153 635531356 /nfs/dbraw/zinc/53/13/56/635531356.db2.gz OBUTVFGUKIHXLE-UHFFFAOYSA-N -1 1 282.343 3.152 20 0 CGADMM CC(C)(CC(=O)Nc1nc(Cl)ccc1[O-])CC(F)F ZINC000879706961 635839948 /nfs/dbraw/zinc/83/99/48/635839948.db2.gz ZFEIVKQNMJRNHX-UHFFFAOYSA-N -1 1 292.713 3.451 20 0 CGADMM CC1(C)C[C@H](NC(=O)c2c([O-])cccc2Cl)CCS1 ZINC000888802859 635937583 /nfs/dbraw/zinc/93/75/83/635937583.db2.gz LPSBSKMTWNSKFI-SECBINFHSA-N -1 1 299.823 3.450 20 0 CGADMM CC1(C)CO[C@H](CCC(=O)Nc2cccc(F)c2[O-])C1 ZINC000880854821 636054385 /nfs/dbraw/zinc/05/43/85/636054385.db2.gz VFDAJHLKCZOPFY-SNVBAGLBSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccc(F)nc1 ZINC000882159010 636273007 /nfs/dbraw/zinc/27/30/07/636273007.db2.gz YYCIEMUZXRXTOV-QMMMGPOBSA-N -1 1 291.351 3.447 20 0 CGADMM O=C(C[C@H]1OCc2cc(Cl)ccc21)[N-]OC1CCCC1 ZINC000847661245 636414760 /nfs/dbraw/zinc/41/47/60/636414760.db2.gz BACAZNWRUVYLKK-CQSZACIVSA-N -1 1 295.766 3.292 20 0 CGADMM CCc1nc(SCc2cccnc2Cl)[n-]c(=O)c1C ZINC000849920636 636908681 /nfs/dbraw/zinc/90/86/81/636908681.db2.gz DIOXTTMWUVSZAS-UHFFFAOYSA-N -1 1 295.795 3.394 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885222485 637186726 /nfs/dbraw/zinc/18/67/26/637186726.db2.gz DQDOUVLZWHHBBZ-IUODEOHRSA-N -1 1 289.350 3.182 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CC=CCC1 ZINC000885673980 637284706 /nfs/dbraw/zinc/28/47/06/637284706.db2.gz BJZQJUHCOVSCPR-MRVPVSSYSA-N -1 1 269.703 3.480 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cc(F)cc(C(F)(F)F)c2)S1 ZINC000219803923 637562178 /nfs/dbraw/zinc/56/21/78/637562178.db2.gz NRQFIBJQZRPMGS-BAQGIRSFSA-N -1 1 291.225 3.168 20 0 CGADMM CC1(C)C[C@@H](n2[n-]c3c(c2=O)CCC(C)(C)C3)C(C)(C)O1 ZINC000887297128 637791238 /nfs/dbraw/zinc/79/12/38/637791238.db2.gz UTJGUXMWJSAESE-DGCLKSJQSA-N -1 1 292.423 3.357 20 0 CGADMM CC(C)[C@@H]1CCc2[n-]n([C@@H]3CCCSC3)c(=O)c2C1 ZINC000887299248 637793021 /nfs/dbraw/zinc/79/30/21/637793021.db2.gz TZIFKAPVIMHWKT-UPJWGTAASA-N -1 1 280.437 3.153 20 0 CGADMM CSc1ccc([O-])c(-c2nc([C@]3(C)CCCO3)no2)c1 ZINC000854042509 637977047 /nfs/dbraw/zinc/97/70/47/637977047.db2.gz OFWKNKHMRFJBJA-AWEZNQCLSA-N -1 1 292.360 3.190 20 0 CGADMM CS[C@@H](C)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675899 638037714 /nfs/dbraw/zinc/03/77/14/638037714.db2.gz DXFHMHFEEBJHQG-LURJTMIESA-N -1 1 277.748 3.265 20 0 CGADMM O=C([N-]Oc1ccccc1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000854539207 638069592 /nfs/dbraw/zinc/06/95/92/638069592.db2.gz XLSAMIYCHBZHEX-QWRGUYRKSA-N -1 1 287.281 3.465 20 0 CGADMM O=c1nc(NCCCCc2ccccc2)cc(Cl)[n-]1 ZINC000858331464 638684442 /nfs/dbraw/zinc/68/44/42/638684442.db2.gz XPWKKEIYAFZFDN-UHFFFAOYSA-N -1 1 277.755 3.270 20 0 CGADMM Cc1ccc(CC[C@H](C)Nc2cc(Cl)[n-]c(=O)n2)o1 ZINC000858426248 638714369 /nfs/dbraw/zinc/71/43/69/638714369.db2.gz SOVFIIQGSVXITI-QMMMGPOBSA-N -1 1 281.743 3.170 20 0 CGADMM Cc1cc(C(=O)[N-]c2c(C)noc2C)oc1Br ZINC000930940892 639089436 /nfs/dbraw/zinc/08/94/36/639089436.db2.gz YLMLMELYWRXDCS-UHFFFAOYSA-N -1 1 299.124 3.208 20 0 CGADMM Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])s1 ZINC000188375388 640133928 /nfs/dbraw/zinc/13/39/28/640133928.db2.gz USOTVGOMWALLIZ-UHFFFAOYSA-N -1 1 268.725 3.063 20 0 CGADMM COc1cccc([C@@H](C)C(=O)[N-]OCc2ccccc2)c1 ZINC000194403288 640530244 /nfs/dbraw/zinc/53/02/44/640530244.db2.gz BWVLXHBJXAGMPW-CYBMUJFWSA-N -1 1 285.343 3.047 20 0 CGADMM O=C([O-])c1ccc(-c2nc3ccc(C(F)F)cc3[nH]2)o1 ZINC001250922554 805798598 /nfs/dbraw/zinc/79/85/98/805798598.db2.gz LDUVFTZNKWTJAJ-UHFFFAOYSA-N -1 1 278.214 3.459 20 0 CGADMM COc1ccc2c(c1)nc(-c1cc(F)c(F)cc1[O-])n2C ZINC001250967347 805810284 /nfs/dbraw/zinc/81/02/84/805810284.db2.gz MZPMLJQLGVWBCK-UHFFFAOYSA-N -1 1 290.269 3.233 20 0 CGADMM [O-]c1cnc(Cl)cc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC001251251741 805871527 /nfs/dbraw/zinc/87/15/27/805871527.db2.gz HWZHQCLEMXMVSW-UHFFFAOYSA-N -1 1 281.649 3.262 20 0 CGADMM [O-]c1ccc(F)c(-c2nc3cc(F)c(F)cc3[nH]2)c1F ZINC001251335570 805884596 /nfs/dbraw/zinc/88/45/96/805884596.db2.gz JWRROMATVBQPCT-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM [O-]c1cc(-c2nc3cc4c(cc3[nH]2)CCO4)ccc1F ZINC001251476874 805900190 /nfs/dbraw/zinc/90/01/90/805900190.db2.gz COSIMDUETAYDOU-UHFFFAOYSA-N -1 1 270.263 3.010 20 0 CGADMM CC(=O)c1ccc2[nH]c(-c3cc([O-])cc(F)c3)nc2c1 ZINC001251569439 805908586 /nfs/dbraw/zinc/90/85/86/805908586.db2.gz FPONMVJRUAFSTG-UHFFFAOYSA-N -1 1 270.263 3.277 20 0 CGADMM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1ccc(C(F)(F)F)cc1[O-] ZINC001158945770 806024854 /nfs/dbraw/zinc/02/48/54/806024854.db2.gz JFHIRWIBKYPTIA-PTOFAABTSA-N -1 1 299.292 3.329 20 0 CGADMM [O-]c1cnccc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC001252764458 806108284 /nfs/dbraw/zinc/10/82/84/806108284.db2.gz UQPOHKUDXPKHPQ-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001162292647 806549794 /nfs/dbraw/zinc/54/97/94/806549794.db2.gz VLRZOFIPVJFCES-TVQRCGJNSA-N -1 1 299.317 3.204 20 0 CGADMM Cc1c(C)c([N-]S(=O)(=O)c2cccc(F)c2)ccc1F ZINC001255647867 806693284 /nfs/dbraw/zinc/69/32/84/806693284.db2.gz MAKIIIUMTCFNNE-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM C[C@@H]1CCCN1Cn1c(Cc2cccs2)n[n-]c1=S ZINC000173518047 799090165 /nfs/dbraw/zinc/09/01/65/799090165.db2.gz GZNXAPRMSOYVHX-SNVBAGLBSA-N -1 1 294.449 3.035 20 0 CGADMM Cc1n[n-]c(=NCc2ccc(CC(C)C)cc2)n1C1CC1 ZINC000340708876 799286563 /nfs/dbraw/zinc/28/65/63/799286563.db2.gz KWSZATIJLCHREX-UHFFFAOYSA-N -1 1 284.407 3.154 20 0 CGADMM [O-]c1ccc(-c2nnc(Cc3ccccc3F)o2)c(F)c1 ZINC001255861602 806774457 /nfs/dbraw/zinc/77/44/57/806774457.db2.gz ZVYILNWLNZTNIZ-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM [O-]c1ccc(-c2noc(-c3nc(Cl)cs3)n2)cc1F ZINC000809470306 800439872 /nfs/dbraw/zinc/43/98/72/800439872.db2.gz ALHOBNPJUMEAAK-UHFFFAOYSA-N -1 1 297.698 3.358 20 0 CGADMM C[C@@H]1C[C@@H]1c1nnc(-c2cnc(-c3ccccc3)[n-]c2=O)o1 ZINC001256707879 806951516 /nfs/dbraw/zinc/95/15/16/806951516.db2.gz CJBJGOCTZQFTEN-KOLCDFICSA-N -1 1 294.314 3.023 20 0 CGADMM CS[C@@H]1CC[C@@H](N(C)C(=O)c2c([O-])cccc2Cl)C1 ZINC001116448485 802355140 /nfs/dbraw/zinc/35/51/40/802355140.db2.gz YKGDBGQFUSKSHP-NXEZZACHSA-N -1 1 299.823 3.402 20 0 CGADMM CCOc1cc(C(=O)[N-]c2ccc(Cl)cc2F)on1 ZINC001124374921 803018364 /nfs/dbraw/zinc/01/83/64/803018364.db2.gz GVEJBQQXDHKWHX-UHFFFAOYSA-N -1 1 284.674 3.118 20 0 CGADMM CC(=O)Nc1cccc(-c2c([O-])cccc2Cl)n1 ZINC001244030596 803151404 /nfs/dbraw/zinc/15/14/04/803151404.db2.gz DZBWMPDWBDURNO-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM COC(=O)Cc1cccc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244096766 803184940 /nfs/dbraw/zinc/18/49/40/803184940.db2.gz NUUGYTUKVRKANO-UHFFFAOYSA-N -1 1 278.254 3.053 20 0 CGADMM O=C1Cc2cc(-c3ccc(C4CC4)cc3F)ccc2C(=O)[N-]1 ZINC001244126561 803200142 /nfs/dbraw/zinc/20/01/42/803200142.db2.gz WITPWHPTAFQXMU-UHFFFAOYSA-N -1 1 295.313 3.183 20 0 CGADMM CCN(CC)c1cc(-c2c(Cl)ccc([O-])c2F)ncn1 ZINC001244538077 803425706 /nfs/dbraw/zinc/42/57/06/803425706.db2.gz HPEQQTWNOILZFB-UHFFFAOYSA-N -1 1 295.745 3.488 20 0 CGADMM Cc1cc(C)c(-c2c(Cl)ccc([O-])c2F)nn1 ZINC001244539366 803427041 /nfs/dbraw/zinc/42/70/41/803427041.db2.gz YGQHPECKPYXBNJ-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM Cn1ccc2nc(-c3c(Cl)ccc([O-])c3F)cnc21 ZINC001244540621 803428220 /nfs/dbraw/zinc/42/82/20/803428220.db2.gz DFYIWNDMLIRBFN-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM Cc1nc2c(-c3c(Cl)ccc([O-])c3F)cccn2n1 ZINC001244540203 803428430 /nfs/dbraw/zinc/42/84/30/803428430.db2.gz SOXBQIPTXVTYAV-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cnc(OCC3CC3)nc2)c1F ZINC001244541807 803429164 /nfs/dbraw/zinc/42/91/64/803429164.db2.gz GLQXWMMIYAYTNQ-UHFFFAOYSA-N -1 1 294.713 3.431 20 0 CGADMM Cc1cc(OC(C)C)ccc1-n1[n-]c(=O)c2cc(N)ccc21 ZINC001211816132 814944213 /nfs/dbraw/zinc/94/42/13/814944213.db2.gz RDNRJRZNRFYMRQ-UHFFFAOYSA-N -1 1 297.358 3.409 20 0 CGADMM CCOC(=O)Cc1cccc(-c2cc(Cl)ccc2[O-])n1 ZINC001245055594 803624427 /nfs/dbraw/zinc/62/44/27/803624427.db2.gz SHIHTICDWUHHAY-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM CCCCC[C@H](NC(=O)c1cnncc1[O-])c1ccccc1 ZINC001136597653 803647302 /nfs/dbraw/zinc/64/73/02/803647302.db2.gz DKDJJXCXPMPJMD-HNNXBMFYSA-N -1 1 299.374 3.234 20 0 CGADMM Cc1cnc(C(=O)NCCCCC(C)(C)C)c([O-])c1 ZINC001136720550 803650235 /nfs/dbraw/zinc/65/02/35/803650235.db2.gz UKEDAHMIRHTXOU-UHFFFAOYSA-N -1 1 264.369 3.042 20 0 CGADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001136967351 803664288 /nfs/dbraw/zinc/66/42/88/803664288.db2.gz ZDGAEEKYBXSZTI-ZYHUDNBSSA-N -1 1 277.364 3.068 20 0 CGADMM C[C@H]1Cc2ccccc2CN1C(=O)c1ccc([O-])cc1F ZINC001137095779 803683023 /nfs/dbraw/zinc/68/30/23/803683023.db2.gz NLNLKOVHMKGZRH-NSHDSACASA-N -1 1 285.318 3.118 20 0 CGADMM Cc1cnc(C(=O)NC2CCC(C(C)C)CC2)c([O-])c1 ZINC001137339492 803718990 /nfs/dbraw/zinc/71/89/90/803718990.db2.gz TZPOAJLHQDRPJP-UHFFFAOYSA-N -1 1 276.380 3.040 20 0 CGADMM Cc1cccc(F)c1NC(=O)c1ccc(F)c([O-])c1 ZINC001137877599 803792677 /nfs/dbraw/zinc/79/26/77/803792677.db2.gz ULIAEOBQBNCFGU-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(-n3ccnc3)nc2)c1Cl ZINC001245831103 803986760 /nfs/dbraw/zinc/98/67/60/803986760.db2.gz DERAYHLLUYUGOD-UHFFFAOYSA-N -1 1 289.697 3.432 20 0 CGADMM COc1cc(-c2c(F)ccc([O-])c2Cl)c(OC)cn1 ZINC001245835280 803987893 /nfs/dbraw/zinc/98/78/93/803987893.db2.gz OLYGTEWGFGVTLI-UHFFFAOYSA-N -1 1 283.686 3.264 20 0 CGADMM Cc1cc(-c2c(F)ccc([O-])c2Cl)cc(=O)o1 ZINC001245832489 803988971 /nfs/dbraw/zinc/98/89/71/803988971.db2.gz WVPQHZIQUJLNLP-UHFFFAOYSA-N -1 1 254.644 3.113 20 0 CGADMM CC(C)Oc1ncc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245836779 803989542 /nfs/dbraw/zinc/98/95/42/803989542.db2.gz XALRAGYGWMDBIG-UHFFFAOYSA-N -1 1 282.702 3.429 20 0 CGADMM CN(C)c1cccc(-n2[n-]c(CC(C)(C)C)cc2=O)c1 ZINC001245931509 804060315 /nfs/dbraw/zinc/06/03/15/804060315.db2.gz CQTJMLWNBJNSLR-UHFFFAOYSA-N -1 1 273.380 3.233 20 0 CGADMM Cc1cc(Nc2ccnc(Cl)c2[O-])cnc1F ZINC001212180855 814989404 /nfs/dbraw/zinc/98/94/04/814989404.db2.gz KJRXUMJXIRLUHQ-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM O=C(NC1CC(c2ccccc2)C1)c1ccc(F)c([O-])c1 ZINC001139066654 804123799 /nfs/dbraw/zinc/12/37/99/804123799.db2.gz BFIPMTGTRUCWOR-UHFFFAOYSA-N -1 1 285.318 3.207 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC[C@H]1c1ccc(F)cc1 ZINC001165780872 807018672 /nfs/dbraw/zinc/01/86/72/807018672.db2.gz ZTHUWEDRRDGGPP-HNNXBMFYSA-N -1 1 289.281 3.258 20 0 CGADMM O=C1CCN(Cc2cc(F)c([O-])c(F)c2)[C@H]2CCCC[C@H]12 ZINC001140987986 804561626 /nfs/dbraw/zinc/56/16/26/804561626.db2.gz JKMAAWHSWDTDRL-FZMZJTMJSA-N -1 1 295.329 3.004 20 0 CGADMM Cc1ccc(CN(C(=O)c2cccc([O-])c2F)C2CC2)o1 ZINC001141815632 804669799 /nfs/dbraw/zinc/66/97/99/804669799.db2.gz RIANWJAUNGZCST-UHFFFAOYSA-N -1 1 289.306 3.238 20 0 CGADMM CC(C)Oc1ccccc1-c1noc(-c2ncccc2[O-])n1 ZINC001212481082 815035873 /nfs/dbraw/zinc/03/58/73/815035873.db2.gz ZJQFSXBTZYIVCI-UHFFFAOYSA-N -1 1 297.314 3.291 20 0 CGADMM C[C@H](C(=O)Nc1cc(F)cc(F)c1[O-])c1ccsc1 ZINC001142542306 804735909 /nfs/dbraw/zinc/73/59/09/804735909.db2.gz POHYYKUDGOQXJY-ZETCQYMHSA-N -1 1 283.299 3.474 20 0 CGADMM CC[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001248407331 804930193 /nfs/dbraw/zinc/93/01/93/804930193.db2.gz PPHVHFPGWGOBHM-LLVKDONJSA-N -1 1 296.798 3.377 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@H](C(F)F)C2)cc1F ZINC001144657840 805026158 /nfs/dbraw/zinc/02/61/58/805026158.db2.gz KNTSBRDQZMZUCY-MRVPVSSYSA-N -1 1 277.261 3.148 20 0 CGADMM O=C([O-])c1ccsc1CN1CCc2ccc(F)cc2C1 ZINC001144677393 805031365 /nfs/dbraw/zinc/03/13/65/805031365.db2.gz OQRCYDYHFBDMAY-UHFFFAOYSA-N -1 1 291.347 3.144 20 0 CGADMM C[C@@H]1c2ccccc2CN1C(=O)c1ccc(F)c([O-])c1 ZINC001148789635 805211174 /nfs/dbraw/zinc/21/11/74/805211174.db2.gz ANSUDIYHCQHNGU-SNVBAGLBSA-N -1 1 271.291 3.248 20 0 CGADMM CC[C@@H](C)CN(CC)C(=O)c1ccc(F)c([O-])c1 ZINC001148851047 805213189 /nfs/dbraw/zinc/21/31/89/805213189.db2.gz KCUTVFYGSVEOCI-SNVBAGLBSA-N -1 1 253.317 3.040 20 0 CGADMM O=C(Nc1cnoc1)c1cccc(-c2ccccc2)c1[O-] ZINC001148861630 805213230 /nfs/dbraw/zinc/21/32/30/805213230.db2.gz SRERSVYRMJLRDB-UHFFFAOYSA-N -1 1 280.283 3.300 20 0 CGADMM CC(C)CC[C@H]1CCCCN1C(=O)c1ccc([O-])cn1 ZINC001150743591 805266434 /nfs/dbraw/zinc/26/64/34/805266434.db2.gz KVQVLACQDOLZJO-CYBMUJFWSA-N -1 1 276.380 3.218 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cccc(O)c1F ZINC001212552286 815065384 /nfs/dbraw/zinc/06/53/84/815065384.db2.gz KALHJXNZPPMDBI-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM C[C@@H](C1CC1)N(C(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001151725648 805310788 /nfs/dbraw/zinc/31/07/88/805310788.db2.gz KCPNDAIPDFSHKT-LBPRGKRZSA-N -1 1 282.343 3.233 20 0 CGADMM Nc1ccc(F)c(F)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249962291 805329210 /nfs/dbraw/zinc/32/92/10/805329210.db2.gz JQGRZKPCVYPZFS-UHFFFAOYSA-N -1 1 290.191 3.414 20 0 CGADMM CC(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2F)c1O ZINC001249964802 805331836 /nfs/dbraw/zinc/33/18/36/805331836.db2.gz MTUVZOARZDJFKH-UHFFFAOYSA-N -1 1 297.232 3.461 20 0 CGADMM Cc1cccc(CO)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249965951 805332134 /nfs/dbraw/zinc/33/21/34/805332134.db2.gz UFYAXLWQRFMEEX-UHFFFAOYSA-N -1 1 283.249 3.354 20 0 CGADMM COc1nc(C)cnc1Nc1cc(Cl)c([O-])cc1F ZINC001250020369 805372285 /nfs/dbraw/zinc/37/22/85/805372285.db2.gz SDWWAFCPOUCXEH-UHFFFAOYSA-N -1 1 283.690 3.035 20 0 CGADMM CCN(C(=O)c1c([O-])ccc2ccccc21)C1CCOCC1 ZINC001153505810 805400296 /nfs/dbraw/zinc/40/02/96/805400296.db2.gz MQROSLRCILCYBK-UHFFFAOYSA-N -1 1 299.370 3.187 20 0 CGADMM O=C(Cc1c(F)cc([O-])cc1F)c1ccc(F)cc1 ZINC001250132834 805434107 /nfs/dbraw/zinc/43/41/07/805434107.db2.gz GBTLIOUPRRXPKN-UHFFFAOYSA-N -1 1 266.218 3.235 20 0 CGADMM [O-]c1cc(C[C@H]2COc3ccccc3O2)ccc1Cl ZINC001250173974 805461022 /nfs/dbraw/zinc/46/10/22/805461022.db2.gz BAGLOYNDOLVIOH-NSHDSACASA-N -1 1 276.719 3.428 20 0 CGADMM COC(=O)c1cccc(Cc2cc([O-])c(F)c(F)c2F)c1 ZINC001250193630 805481687 /nfs/dbraw/zinc/48/16/87/805481687.db2.gz QLMWFEUUCKEEMZ-UHFFFAOYSA-N -1 1 296.244 3.187 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N3C4CCC3CC4)cc2c1 ZINC001154754194 805483587 /nfs/dbraw/zinc/48/35/87/805483587.db2.gz UCLBNMQWQCJVLT-UHFFFAOYSA-N -1 1 297.354 3.321 20 0 CGADMM Cc1c[nH]c(=O)c(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250229053 805504286 /nfs/dbraw/zinc/50/42/86/805504286.db2.gz TVLJQQUXPCQVNT-UHFFFAOYSA-N -1 1 268.675 3.337 20 0 CGADMM [O-]c1ccc(F)c(Nc2ccc(Cl)nn2)c1Cl ZINC001250228104 805504579 /nfs/dbraw/zinc/50/45/79/805504579.db2.gz LLPQXNOGFVASTG-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM [O-]c1ccc(F)c(Nc2noc3cnccc32)c1Cl ZINC001250229400 805506933 /nfs/dbraw/zinc/50/69/33/805506933.db2.gz FUGLXLKJNVBNJG-UHFFFAOYSA-N -1 1 279.658 3.465 20 0 CGADMM Cc1ccc(C(N)=O)cc1Nc1c(F)ccc([O-])c1Cl ZINC001250232154 805507055 /nfs/dbraw/zinc/50/70/55/805507055.db2.gz BITSPSOCOWFOKA-UHFFFAOYSA-N -1 1 294.713 3.336 20 0 CGADMM C[C@@H](O)c1ccnc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250234816 805509036 /nfs/dbraw/zinc/50/90/36/805509036.db2.gz YPGMJJUIWPDLTQ-SSDOTTSWSA-N -1 1 282.702 3.377 20 0 CGADMM Nc1cccc2c1N(c1c(F)ccc([O-])c1Cl)CC2 ZINC001250238099 805512954 /nfs/dbraw/zinc/51/29/54/805512954.db2.gz UCNFLMAFNYYSBI-UHFFFAOYSA-N -1 1 278.714 3.461 20 0 CGADMM [O-]c1cc(O)ccc1-c1nnc(CC2CCCCC2)o1 ZINC001257004562 807024823 /nfs/dbraw/zinc/02/48/23/807024823.db2.gz QGXNUIHYARCVMN-UHFFFAOYSA-N -1 1 274.320 3.271 20 0 CGADMM COc1ccc(-c2nnc(CC(C)(C)C)o2)c([O-])c1 ZINC001257839664 807225400 /nfs/dbraw/zinc/22/54/00/807225400.db2.gz YHQSAYNSIYTYCC-UHFFFAOYSA-N -1 1 262.309 3.039 20 0 CGADMM CCCCC(CCCC)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001258381293 807433949 /nfs/dbraw/zinc/43/39/49/807433949.db2.gz XWVUVDYBKWTSOQ-UHFFFAOYSA-N -1 1 277.372 3.219 20 0 CGADMM CC(=O)OCc1cccc(Cl)c1[N-]c1nc(C)ns1 ZINC001212774714 815134088 /nfs/dbraw/zinc/13/40/88/815134088.db2.gz XGJJIQNUVYRXSH-UHFFFAOYSA-N -1 1 297.767 3.307 20 0 CGADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC001259516161 807680099 /nfs/dbraw/zinc/68/00/99/807680099.db2.gz HEASHZLXGGOTAN-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM O=S(=O)([N-]c1nccc2ccccc21)C1CCCCC1 ZINC001259807513 807688323 /nfs/dbraw/zinc/68/83/23/807688323.db2.gz AKFQSCPCCLIIJT-UHFFFAOYSA-N -1 1 290.388 3.309 20 0 CGADMM CN(CCOC1CCCCC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001262167533 807831399 /nfs/dbraw/zinc/83/13/99/807831399.db2.gz PTNXIYIRYZXYMH-MRXNPFEDSA-N -1 1 291.391 3.093 20 0 CGADMM COc1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001173803640 808678346 /nfs/dbraw/zinc/67/83/46/808678346.db2.gz RVYZASHTOSWHSH-UHFFFAOYSA-N -1 1 251.232 3.423 20 0 CGADMM COc1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001173827109 808693397 /nfs/dbraw/zinc/69/33/97/808693397.db2.gz QZTMHALYQZKTQA-UHFFFAOYSA-N -1 1 281.315 3.330 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc(F)c(F)c1 ZINC001173867694 808725241 /nfs/dbraw/zinc/72/52/41/808725241.db2.gz KYWLUHUQOPVGKE-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM COc1ccc(C(C)C)cc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001173917515 808759195 /nfs/dbraw/zinc/75/91/95/808759195.db2.gz YIZQYWUFZSGGGL-UHFFFAOYSA-N -1 1 297.358 3.445 20 0 CGADMM COc1ccc(F)cc1Nc1ccnc(Cl)c1[O-] ZINC001173955802 808784515 /nfs/dbraw/zinc/78/45/15/808784515.db2.gz UPGRMRWHMDQIPU-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM CCOC(=O)c1ccccc1Nc1ccnc(Cl)c1[O-] ZINC001213172404 815251054 /nfs/dbraw/zinc/25/10/54/815251054.db2.gz KWXJREONAONLMK-UHFFFAOYSA-N -1 1 292.722 3.361 20 0 CGADMM COc1cc(Nc2c([O-])cc(F)cc2F)ccc1O ZINC001174542313 809075223 /nfs/dbraw/zinc/07/52/23/809075223.db2.gz HHTPIDBRRFZJFW-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM COc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1O ZINC001174546020 809078035 /nfs/dbraw/zinc/07/80/35/809078035.db2.gz WKLRJJCJVYFHMM-UHFFFAOYSA-N -1 1 297.314 3.036 20 0 CGADMM Cc1cc(O)ccc1Nc1ccnc(Cl)c1[O-] ZINC001174560687 809083731 /nfs/dbraw/zinc/08/37/31/809083731.db2.gz UJQZACFJGXYLTE-UHFFFAOYSA-N -1 1 250.685 3.198 20 0 CGADMM O=C([N-]c1nsc2ccccc21)c1ocnc1C(F)F ZINC001277772465 809094787 /nfs/dbraw/zinc/09/47/87/809094787.db2.gz GHEVKPVQHNDFLY-UHFFFAOYSA-N -1 1 295.270 3.474 20 0 CGADMM CSc1nc(Nc2cccc3[nH]ccc32)cc(=O)[n-]1 ZINC001174646726 809115467 /nfs/dbraw/zinc/11/54/67/809115467.db2.gz FPGZOQLPBOLGMI-UHFFFAOYSA-N -1 1 272.333 3.129 20 0 CGADMM COCc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001174918767 809199773 /nfs/dbraw/zinc/19/97/73/809199773.db2.gz OZGQKVSETKRDQU-UHFFFAOYSA-N -1 1 297.310 3.389 20 0 CGADMM [O-]c1cc(Nc2cc(F)c(O)c(F)c2)cc(F)c1F ZINC001213384465 815274713 /nfs/dbraw/zinc/27/47/13/815274713.db2.gz NSUHNPAXJCWQOA-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM CCOc1ccc(OC)cc1[N-]c1nnc(C(C)C)o1 ZINC001175211140 809308914 /nfs/dbraw/zinc/30/89/14/809308914.db2.gz QHURDSIROJCGAT-UHFFFAOYSA-N -1 1 277.324 3.344 20 0 CGADMM CC(=O)c1ccc(F)c(Nc2ncc(F)cc2[O-])c1 ZINC001175272875 809335845 /nfs/dbraw/zinc/33/58/45/809335845.db2.gz WMDCWJSBUGIVOV-UHFFFAOYSA-N -1 1 264.231 3.012 20 0 CGADMM C[S@@](=O)c1ccccc1Nc1c([O-])cc(F)cc1F ZINC001175309088 809348314 /nfs/dbraw/zinc/34/83/14/809348314.db2.gz OCZOYQKGBNHQGM-LJQANCHMSA-N -1 1 283.299 3.151 20 0 CGADMM Cn1ncc2cccc(Nc3ccc(F)c(F)c3[O-])c21 ZINC001175449220 809410424 /nfs/dbraw/zinc/41/04/24/809410424.db2.gz PSDFJDODOUWBKK-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM CCN(C(=O)c1cccc([O-])c1F)c1ccc(OC)cc1 ZINC001290706744 809412532 /nfs/dbraw/zinc/41/25/32/809412532.db2.gz ORZZHBMVPMZRNY-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM C[S@@](=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001175478117 809422133 /nfs/dbraw/zinc/42/21/33/809422133.db2.gz COINDRMUMBURRJ-LJQANCHMSA-N -1 1 283.299 3.151 20 0 CGADMM C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(F)c([O-])c1 ZINC001293464133 809448821 /nfs/dbraw/zinc/44/88/21/809448821.db2.gz VWWIIFKRNKLOFF-RYUDHWBXSA-N -1 1 279.355 3.478 20 0 CGADMM CCC1(NC(=O)c2ncc3ccccc3c2[O-])CCC1 ZINC001294463382 809469424 /nfs/dbraw/zinc/46/94/24/809469424.db2.gz OTLOJTFBELMTGM-UHFFFAOYSA-N -1 1 270.332 3.003 20 0 CGADMM CSc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cn1 ZINC001175656977 809492923 /nfs/dbraw/zinc/49/29/23/809492923.db2.gz IPBHVPUWYDKBML-UHFFFAOYSA-N -1 1 298.371 3.438 20 0 CGADMM Cc1cc(C)c(Nc2c([O-])cc(F)cc2F)cn1 ZINC001213513607 815294320 /nfs/dbraw/zinc/29/43/20/815294320.db2.gz YUGWTGYTXQFDIG-UHFFFAOYSA-N -1 1 250.248 3.426 20 0 CGADMM C[C@H](CC(=O)Nc1ccc([O-])c(F)c1F)c1ccncc1 ZINC001297821414 809523548 /nfs/dbraw/zinc/52/35/48/809523548.db2.gz RFFZOWANMDLXKU-SECBINFHSA-N -1 1 292.285 3.198 20 0 CGADMM O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)c1ccc([O-])cn1 ZINC001298514581 809533714 /nfs/dbraw/zinc/53/37/14/809533714.db2.gz YRQYPIZVYVZJMV-HOCLYGCPSA-N -1 1 296.370 3.101 20 0 CGADMM CC(C)[C@H]1N(C(=O)Cc2ccc([O-])c(Cl)c2)CC1(C)C ZINC001298655216 809535657 /nfs/dbraw/zinc/53/56/57/809535657.db2.gz CTNDWHWTLJMROG-OAHLLOKOSA-N -1 1 295.810 3.481 20 0 CGADMM COCCOc1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001175784301 809541234 /nfs/dbraw/zinc/54/12/34/809541234.db2.gz GSFLQHCKTFQCMO-UHFFFAOYSA-N -1 1 294.738 3.209 20 0 CGADMM CC[C@@H](NC(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001299438957 809550803 /nfs/dbraw/zinc/55/08/03/809550803.db2.gz QWRTXBLTHDXRRN-CYBMUJFWSA-N -1 1 273.307 3.412 20 0 CGADMM COC1([C@H](C)NC(=O)c2ccc3ccccc3c2[O-])CCC1 ZINC001299427618 809551152 /nfs/dbraw/zinc/55/11/52/809551152.db2.gz KFGITTWMNCDCBW-LBPRGKRZSA-N -1 1 299.370 3.233 20 0 CGADMM COc1cccc(Nc2cc(=O)[n-]c(SC)n2)c1Cl ZINC001175896359 809565943 /nfs/dbraw/zinc/56/59/43/809565943.db2.gz QERLHYBRUXPZQR-UHFFFAOYSA-N -1 1 297.767 3.310 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCc2ccccc2C1 ZINC001300488442 809568985 /nfs/dbraw/zinc/56/89/85/809568985.db2.gz KPYGJXDJTRGGEP-ZDUSSCGKSA-N -1 1 285.318 3.275 20 0 CGADMM COc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1C ZINC001300816340 809575293 /nfs/dbraw/zinc/57/52/93/809575293.db2.gz OQHHHUQFFMARQL-UHFFFAOYSA-N -1 1 293.269 3.240 20 0 CGADMM Cc1ncc(Nc2ccc(F)c(Br)c2[O-])cn1 ZINC001176399436 809687678 /nfs/dbraw/zinc/68/76/78/809687678.db2.gz NDYZYNUTGVSHFZ-UHFFFAOYSA-N -1 1 298.115 3.136 20 0 CGADMM O=c1cc(Cl)[nH]cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664247 809738828 /nfs/dbraw/zinc/73/88/28/809738828.db2.gz OFXUSALHMPQALC-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cnn3cc(F)ccc23)c1F ZINC001176669973 809740086 /nfs/dbraw/zinc/74/00/86/809740086.db2.gz PWJBLWHJBKOVSC-UHFFFAOYSA-N -1 1 297.211 3.340 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc([O-])cc2F)Cc2ccccc21 ZINC001177106119 809780886 /nfs/dbraw/zinc/78/08/86/809780886.db2.gz YFHXKSYGDVSMIR-NSHDSACASA-N -1 1 285.318 3.291 20 0 CGADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183218907 810141087 /nfs/dbraw/zinc/14/10/87/810141087.db2.gz QQBJYZYAMFPJGP-BDAKNGLRSA-N -1 1 268.744 3.205 20 0 CGADMM CC1(CC(=O)Nc2nc(Br)ccc2[O-])CCC1 ZINC001185092202 810234315 /nfs/dbraw/zinc/23/43/15/810234315.db2.gz VMQGEELAVPSGKB-UHFFFAOYSA-N -1 1 299.168 3.069 20 0 CGADMM O=C(NCc1cccc(F)c1)Nc1c(F)cc([O-])cc1F ZINC001185837975 810295452 /nfs/dbraw/zinc/29/54/52/810295452.db2.gz NZGQZIJNBVMXAE-UHFFFAOYSA-N -1 1 296.248 3.131 20 0 CGADMM O=C(Nc1ccc2ccncc2c1)c1ccc([O-])cc1F ZINC001186329593 810329146 /nfs/dbraw/zinc/32/91/46/810329146.db2.gz SXBZMOBCVUHXPE-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM Cc1cc(C)c(NC(=O)c2n[n-]nc2C(F)(F)F)cc1C ZINC001187765995 810423681 /nfs/dbraw/zinc/42/36/81/810423681.db2.gz AEAIDLVWEFDPPK-UHFFFAOYSA-N -1 1 298.268 3.001 20 0 CGADMM O=S(=O)([N-]c1cccc2cc(Cl)cnc21)C1CCC1 ZINC001188137990 810457004 /nfs/dbraw/zinc/45/70/04/810457004.db2.gz NVFILJYUXDEJBU-UHFFFAOYSA-N -1 1 296.779 3.182 20 0 CGADMM Cc1ccc(CCSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC001189062533 810540139 /nfs/dbraw/zinc/54/01/39/810540139.db2.gz YFCGEBCXQBOIOP-UHFFFAOYSA-N -1 1 274.389 3.442 20 0 CGADMM CC/C=C/NC(=O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191510059 810722158 /nfs/dbraw/zinc/72/21/58/810722158.db2.gz NFTORUUIZAZDHB-KGVSQERTSA-N -1 1 295.338 3.277 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)Nc2cc(Cl)ncc2[O-])CC1 ZINC001191798741 810743240 /nfs/dbraw/zinc/74/32/40/810743240.db2.gz QKYKZLCFTWQYJX-KYZUINATSA-N -1 1 283.759 3.141 20 0 CGADMM Cc1cc(O)cc(C)c1NC(=O)c1cc([O-])cc(F)c1F ZINC001192670552 810814520 /nfs/dbraw/zinc/81/45/20/810814520.db2.gz KFQNZONZYIKHSG-UHFFFAOYSA-N -1 1 293.269 3.245 20 0 CGADMM CC(C)OC(=O)Nc1cccc([O-])c1Br ZINC001193496761 810898333 /nfs/dbraw/zinc/89/83/33/810898333.db2.gz SRGACHKTCPWJOL-UHFFFAOYSA-N -1 1 274.114 3.112 20 0 CGADMM [O-]c1c(F)cc(Nc2ccc(F)cn2)cc1Cl ZINC001214477419 815415345 /nfs/dbraw/zinc/41/53/45/815415345.db2.gz MNBZFOGEUVNKGE-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM C[C@@H](OCCCC[P@](=O)([O-])O)c1csc(Cl)c1 ZINC001225023525 816933694 /nfs/dbraw/zinc/93/36/94/816933694.db2.gz XDFIHIRZROJHDT-MRVPVSSYSA-N -1 1 298.728 3.437 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])Oc1ccc(F)cc1 ZINC001195044221 811190539 /nfs/dbraw/zinc/19/05/39/811190539.db2.gz RBXVEIWTMTUNOU-UHFFFAOYSA-N -1 1 283.205 3.420 20 0 CGADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccnc(F)c2)c1 ZINC001195115938 811204794 /nfs/dbraw/zinc/20/47/94/811204794.db2.gz IKKRJEHBNDYSNZ-UHFFFAOYSA-N -1 1 294.351 3.145 20 0 CGADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cnccc2F)c1 ZINC001195120649 811206993 /nfs/dbraw/zinc/20/69/93/811206993.db2.gz MUZKQZFCZKUJNA-UHFFFAOYSA-N -1 1 294.351 3.145 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2ccnc(Cl)c2Cl)n1 ZINC001195317445 811240614 /nfs/dbraw/zinc/24/06/14/811240614.db2.gz ADGQTSBMJFWSTM-UHFFFAOYSA-N -1 1 298.129 3.050 20 0 CGADMM O=C(NCCC1=CCCCC1)c1cc([O-])cnc1Cl ZINC001195312809 811241386 /nfs/dbraw/zinc/24/13/86/811241386.db2.gz KGESGCWOTLXZAH-UHFFFAOYSA-N -1 1 280.755 3.061 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)ccc1Cl ZINC001195487765 811260566 /nfs/dbraw/zinc/26/05/66/811260566.db2.gz ZTUNDMZHSUPQCJ-UHFFFAOYSA-N -1 1 293.175 3.436 20 0 CGADMM Nc1ccc(Nc2ccc(Cl)c(Cl)c2[O-])cn1 ZINC001201292812 811811188 /nfs/dbraw/zinc/81/11/88/811811188.db2.gz SVCGKNQGDDCAKT-UHFFFAOYSA-N -1 1 270.119 3.420 20 0 CGADMM COc1ccccc1NC(=O)Nc1c(F)cc([O-])cc1F ZINC001202129112 812021889 /nfs/dbraw/zinc/02/18/89/812021889.db2.gz XCZFMCBHLJRZJV-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM Cc1cnc(C)c(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001203658145 812419506 /nfs/dbraw/zinc/41/95/06/812419506.db2.gz XTWYUOAXRKVMFD-UHFFFAOYSA-N -1 1 282.299 3.254 20 0 CGADMM CCOc1ccc(N)cc1Nc1cc(F)c([O-])cc1F ZINC001215573163 815538321 /nfs/dbraw/zinc/53/83/21/815538321.db2.gz FNKDYXBNNBDKBD-UHFFFAOYSA-N -1 1 280.274 3.395 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cccc2cc[nH]c21 ZINC001210210519 814341917 /nfs/dbraw/zinc/34/19/17/814341917.db2.gz XJZOSPJAFAWISF-UHFFFAOYSA-N -1 1 287.304 3.094 20 0 CGADMM CN(C)c1cncc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001210472693 814476813 /nfs/dbraw/zinc/47/68/13/814476813.db2.gz CVTXBMSJFCLLNL-UHFFFAOYSA-N -1 1 281.718 3.389 20 0 CGADMM C[C@H](O)c1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001210644732 814568304 /nfs/dbraw/zinc/56/83/04/814568304.db2.gz ODPVZEXUZOHHAF-QMMMGPOBSA-N -1 1 264.712 3.238 20 0 CGADMM CCOC(=O)c1cnc([N-]c2nccs2)c(Cl)c1 ZINC001210990202 814701119 /nfs/dbraw/zinc/70/11/19/814701119.db2.gz ZFXSHBROEWERBR-UHFFFAOYSA-N -1 1 283.740 3.112 20 0 CGADMM CSc1cncc(Nc2ccnc(Cl)c2[O-])c1 ZINC001211071317 814730771 /nfs/dbraw/zinc/73/07/71/814730771.db2.gz UQCYZRVNMYUHCD-UHFFFAOYSA-N -1 1 267.741 3.301 20 0 CGADMM [O-]c1cccc(-c2ccc(-c3nc[nH]n3)cc2)c1Cl ZINC001242799804 823136362 /nfs/dbraw/zinc/13/63/62/823136362.db2.gz DEBAOCQPGNHOOF-UHFFFAOYSA-N -1 1 271.707 3.498 20 0 CGADMM COc1nc(-c2cccc([O-])c2Cl)nc2c1ccn2C ZINC001242799659 823136410 /nfs/dbraw/zinc/13/64/10/823136410.db2.gz XAJDLXYUVOGXMV-UHFFFAOYSA-N -1 1 289.722 3.003 20 0 CGADMM Cc1cc2ncnc(-c3cccc([O-])c3Cl)c2[nH]1 ZINC001242800346 823136437 /nfs/dbraw/zinc/13/64/37/823136437.db2.gz GHCZSONDFWYYRP-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM COC(=O)c1cc(C)cc(-c2cccc([O-])c2Cl)n1 ZINC001242800190 823136590 /nfs/dbraw/zinc/13/65/90/823136590.db2.gz DWTCPOJMYZWXPH-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM O=C1NCc2c(cccc2-c2cccc([O-])c2Cl)N1 ZINC001242801895 823137382 /nfs/dbraw/zinc/13/73/82/823137382.db2.gz FOGYUKBHTUXYKG-UHFFFAOYSA-N -1 1 274.707 3.348 20 0 CGADMM CCOC(=O)c1cccc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001211204633 814846939 /nfs/dbraw/zinc/84/69/39/814846939.db2.gz HEWNYWCQAHVOJU-UHFFFAOYSA-N -1 1 289.335 3.287 20 0 CGADMM [O-]c1cccc(-c2cc(F)c3nccn3c2)c1Cl ZINC001242803690 823138473 /nfs/dbraw/zinc/13/84/73/823138473.db2.gz YAMVBHHGRRGNOJ-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM CC(=O)Nc1cc(-c2cccc([O-])c2Cl)ccn1 ZINC001242803202 823138504 /nfs/dbraw/zinc/13/85/04/823138504.db2.gz VFDLYSHWFCSEIC-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM CN1Cc2c(cccc2-c2cc(F)c([O-])cc2F)NC1=O ZINC001211359472 814885715 /nfs/dbraw/zinc/88/57/15/814885715.db2.gz HYCSTEIGUOXMEB-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM Cc1c(F)cncc1Nc1cc2ccc([O-])cc2oc1=O ZINC001216191835 815730511 /nfs/dbraw/zinc/73/05/11/815730511.db2.gz HYZDUMTWKCJCRT-UHFFFAOYSA-N -1 1 286.262 3.085 20 0 CGADMM Cc1cc(-c2ccccc2)ccc1[N-]c1nonc1N ZINC001216196558 815734101 /nfs/dbraw/zinc/73/41/01/815734101.db2.gz ZNKIEZXZBSXHTA-UHFFFAOYSA-N -1 1 266.304 3.371 20 0 CGADMM Cc1ccnc(-c2noc(-c3c(F)ccc([O-])c3F)n2)c1 ZINC001216920333 815901931 /nfs/dbraw/zinc/90/19/31/815901931.db2.gz OOSYMUHZRSYKFM-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM CC(C)Cn1ccc(-c2cc(F)c([O-])cc2F)cc1=O ZINC001222083246 816343723 /nfs/dbraw/zinc/34/37/23/816343723.db2.gz VTQUEEKRBAXMJV-UHFFFAOYSA-N -1 1 279.286 3.155 20 0 CGADMM C(OC(C1CCCCC1)C1CCCCC1)c1nn[n-]n1 ZINC001223029873 816553814 /nfs/dbraw/zinc/55/38/14/816553814.db2.gz QGBKJCKQOUFFET-UHFFFAOYSA-N -1 1 278.400 3.246 20 0 CGADMM C[C@@H]1C[C@@H](OCCCC[P@](=O)([O-])O)CC(C)(C)C1 ZINC001225021427 816933929 /nfs/dbraw/zinc/93/39/29/816933929.db2.gz HGRNYGQIVQDAJZ-VXGBXAGGSA-N -1 1 278.329 3.176 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccoc3C)ccc2[n-]1 ZINC001243064969 823233501 /nfs/dbraw/zinc/23/35/01/823233501.db2.gz QZPDSAGETKCQMB-UHFFFAOYSA-N -1 1 270.288 3.308 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccoc3C)cc2[n-]1 ZINC001243064969 823233503 /nfs/dbraw/zinc/23/35/03/823233503.db2.gz QZPDSAGETKCQMB-UHFFFAOYSA-N -1 1 270.288 3.308 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C)C1CCCC1 ZINC001225674497 817136958 /nfs/dbraw/zinc/13/69/58/817136958.db2.gz IRNHHUDKHZWJMQ-SNVBAGLBSA-N -1 1 264.321 3.258 20 0 CGADMM C[C@H](Oc1cnc[n-]c1=O)c1cccc2ccccc21 ZINC001227048981 817543549 /nfs/dbraw/zinc/54/35/49/817543549.db2.gz OMEHWZXJOYQGFL-NSHDSACASA-N -1 1 266.300 3.475 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@H]1[C@H](C)CCC[C@@H]1C ZINC001227172285 817580195 /nfs/dbraw/zinc/58/01/95/817580195.db2.gz NOWICDYUHGAKND-PBKGOJFUSA-N -1 1 292.375 3.425 20 0 CGADMM CC/C=C(\C)[C@H](CC)Oc1[n-]c(=S)ncc1F ZINC001227384947 817636701 /nfs/dbraw/zinc/63/67/01/817636701.db2.gz DROUJMFPZSGKKX-PCGIRMHASA-N -1 1 256.346 3.418 20 0 CGADMM Fc1cnc(=S)[n-]c1O[C@@H](c1ccccc1)C1CC1 ZINC001227386182 817636740 /nfs/dbraw/zinc/63/67/40/817636740.db2.gz QYRUOYBORUCIHO-LBPRGKRZSA-N -1 1 276.336 3.435 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1cccc(N(C)C)c1 ZINC001227387516 817638581 /nfs/dbraw/zinc/63/85/81/817638581.db2.gz YWRXZUFQBHXPFD-SECBINFHSA-N -1 1 293.367 3.110 20 0 CGADMM O=c1cccccc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001227422714 817646287 /nfs/dbraw/zinc/64/62/87/817646287.db2.gz ZWIBYMGQHFUDMG-KRWDZBQOSA-N -1 1 296.278 3.236 20 0 CGADMM CN1CCC[C@H](Oc2cc(Cl)c(O)cc2Cl)C1 ZINC001227640481 817685990 /nfs/dbraw/zinc/68/59/90/817685990.db2.gz BWOANNBTBJDOTR-QMMMGPOBSA-N -1 1 276.163 3.172 20 0 CGADMM C[C@@H]1OCc2c1nc(=O)[n-]c2O[C@H](c1ccccc1)C1CC1 ZINC001227710554 817699298 /nfs/dbraw/zinc/69/92/98/817699298.db2.gz MALFEXCGVAUKRF-ZUZCIYMTSA-N -1 1 298.342 3.304 20 0 CGADMM COC1=CC[C@H](Oc2[n-]c(=S)nc3cnccc32)CC1 ZINC001227884514 817743712 /nfs/dbraw/zinc/74/37/12/817743712.db2.gz HNWABBQGYNWLHW-JTQLQIEISA-N -1 1 289.360 3.149 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)c1nccs1 ZINC001228557568 817937817 /nfs/dbraw/zinc/93/78/17/817937817.db2.gz XUSDTTFZDYGTRV-MRVPVSSYSA-N -1 1 293.344 3.287 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1C=CCCC1 ZINC001228556465 817937915 /nfs/dbraw/zinc/93/79/15/817937915.db2.gz PFAVGTLPNRZBEE-LLVKDONJSA-N -1 1 262.305 3.178 20 0 CGADMM [O-]c1cc(CN2CC(Oc3ccccc3)C2)ccc1Cl ZINC001231734074 818164164 /nfs/dbraw/zinc/16/41/64/818164164.db2.gz PPEQRTOZLSSCIW-UHFFFAOYSA-N -1 1 289.762 3.309 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC(C(F)(F)F)CC2)c1F ZINC001232931191 818474924 /nfs/dbraw/zinc/47/49/24/818474924.db2.gz LAPUQYQTDIFOKJ-UHFFFAOYSA-N -1 1 295.251 3.445 20 0 CGADMM [O-]c1ccc(-c2ccc(OC(F)F)cn2)c(F)c1F ZINC001243341138 823355506 /nfs/dbraw/zinc/35/55/06/823355506.db2.gz DFZVTNFSSLMGSF-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@H](C)c1cncnc1 ZINC001233650447 818669914 /nfs/dbraw/zinc/66/99/14/818669914.db2.gz JZYTZUONDMWYQJ-LLVKDONJSA-N -1 1 286.331 3.305 20 0 CGADMM C[S@](=O)c1ccccc1-c1ccc([O-])c(F)c1F ZINC001243343118 823358261 /nfs/dbraw/zinc/35/82/61/823358261.db2.gz WLLDGVTZEBSRBY-SFHVURJKSA-N -1 1 268.284 3.075 20 0 CGADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@@H]1CCCC(C)(C)C1 ZINC001234607101 818890923 /nfs/dbraw/zinc/89/09/23/818890923.db2.gz XSFXCZJHIKUCTD-SECBINFHSA-N -1 1 297.326 3.061 20 0 CGADMM CCCC[C@@H](CC)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234611133 818891557 /nfs/dbraw/zinc/89/15/57/818891557.db2.gz YVMQSNOHIGQIRE-SECBINFHSA-N -1 1 285.315 3.061 20 0 CGADMM CC/C=C\CCOC(=O)[C@@H](C)Oc1nc2sccc2[n-]1 ZINC001234846522 818931377 /nfs/dbraw/zinc/93/13/77/818931377.db2.gz COIXDVIHPWNWRE-UMCURTJPSA-N -1 1 294.376 3.291 20 0 CGADMM COc1cc(-c2cc(F)cc(F)c2[O-])ccc1F ZINC001243503207 823421444 /nfs/dbraw/zinc/42/14/44/823421444.db2.gz RTEGLARGRVFXGN-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COC(=O)c1cccc(C)c1-c1cc(F)cc(F)c1[O-] ZINC001243502325 823421898 /nfs/dbraw/zinc/42/18/98/823421898.db2.gz KORBTORPAZASEI-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM Cc1cc2c(nccc2-c2cc(F)cc(F)c2[O-])[nH]1 ZINC001243504113 823422816 /nfs/dbraw/zinc/42/28/16/823422816.db2.gz YNVJXAARXUYMEX-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM O=C1CC[C@@H](c2ccc(-c3cc(F)cc(F)c3[O-])cc2)N1 ZINC001243507022 823424473 /nfs/dbraw/zinc/42/44/73/823424473.db2.gz QWKHDXOKFXLNPM-AWEZNQCLSA-N -1 1 289.281 3.289 20 0 CGADMM Cc1cnc(-c2cccc([O-])c2F)nc1NCC1CC1 ZINC001243543022 823436912 /nfs/dbraw/zinc/43/69/12/823436912.db2.gz SWQNXZMYVIVLQU-UHFFFAOYSA-N -1 1 273.311 3.119 20 0 CGADMM [O-]c1c(F)cc(CN2CCC3(CCCO3)CC2)cc1Cl ZINC001237996934 819905311 /nfs/dbraw/zinc/90/53/11/819905311.db2.gz KGKGEPBWOJPQHD-UHFFFAOYSA-N -1 1 299.773 3.330 20 0 CGADMM COc1cc(C(F)(F)F)nc(-c2cccc([O-])c2F)n1 ZINC001243546519 823438776 /nfs/dbraw/zinc/43/87/76/823438776.db2.gz ORHDMQSPHBLHBI-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM COc1cc(-c2ccc(Cl)c([O-])c2)ncc1F ZINC001243579286 823453100 /nfs/dbraw/zinc/45/31/00/823453100.db2.gz SCPVKPMVRGBOMJ-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM [O-]c1cc(-c2cnc3ncccc3n2)ccc1Cl ZINC001243576395 823451000 /nfs/dbraw/zinc/45/10/00/823451000.db2.gz NENQCKBTBIANRB-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM [O-]c1cc(-c2cc3cncnc3cn2)ccc1Cl ZINC001243576685 823451590 /nfs/dbraw/zinc/45/15/90/823451590.db2.gz SONHUBXBJACLEV-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM COc1c(F)nccc1-c1ccc(Cl)c([O-])c1 ZINC001243577832 823452413 /nfs/dbraw/zinc/45/24/13/823452413.db2.gz GOQHKVBOZDWQNG-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM NC(=O)c1c(F)cc(-c2ccc(Cl)c([O-])c2)cc1F ZINC001243582447 823454009 /nfs/dbraw/zinc/45/40/09/823454009.db2.gz SKQCRUXEIPTKEJ-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM CC(=O)Nc1ccc(-c2ccc(Cl)c([O-])c2)c(C)n1 ZINC001243582549 823454684 /nfs/dbraw/zinc/45/46/84/823454684.db2.gz AJFUIYDUYCETHK-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM COc1cccc2c1ncnc2-c1cc(F)ccc1[O-] ZINC001240693433 821249076 /nfs/dbraw/zinc/24/90/76/821249076.db2.gz RGDGLJWFDLEMEV-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM COc1nc2ccccc2nc1-c1cc(F)ccc1[O-] ZINC001240693698 821249944 /nfs/dbraw/zinc/24/99/44/821249944.db2.gz VSJJWNVXEVHXPK-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM CC(C)COc1cncc(-c2cc(F)ccc2[O-])n1 ZINC001240695375 821251144 /nfs/dbraw/zinc/25/11/44/821251144.db2.gz IQERTLLHQHJKFV-UHFFFAOYSA-N -1 1 262.284 3.023 20 0 CGADMM [O-]c1ccc(F)cc1-c1cc(-c2ccco2)ncn1 ZINC001240695977 821252275 /nfs/dbraw/zinc/25/22/75/821252275.db2.gz URQXHVWKBSUTEJ-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM CC(C)c1cc(-c2cc(F)ccc2[O-])nc(N(C)C)n1 ZINC001240696442 821252763 /nfs/dbraw/zinc/25/27/63/821252763.db2.gz QHHLCNUBQOSVSL-UHFFFAOYSA-N -1 1 275.327 3.178 20 0 CGADMM COc1nc2ccccc2nc1-c1ccc([O-])c(F)c1 ZINC001240783442 821322782 /nfs/dbraw/zinc/32/27/82/821322782.db2.gz QUVYXWBNHSNOMX-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM [O-]c1ccc(-c2ncc3ccc(F)cc3n2)cc1F ZINC001240783137 821323142 /nfs/dbraw/zinc/32/31/42/821323142.db2.gz LVRLPXUBNPYUNO-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1ccc(-c2cnc3cc(F)ccc3n2)cc1F ZINC001240783825 821323818 /nfs/dbraw/zinc/32/38/18/821323818.db2.gz YEHITHNPWKVMRS-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOc1nc(-c2ccc([O-])c(F)c2)nc2c1CCCC2 ZINC001240786046 821324288 /nfs/dbraw/zinc/32/42/88/821324288.db2.gz JDLWVUPUVVCWAP-UHFFFAOYSA-N -1 1 288.322 3.266 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1-c1ccc2cncn2c1 ZINC001241000754 821479800 /nfs/dbraw/zinc/47/98/00/821479800.db2.gz KSHYJTIMKMAWKI-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM CCOc1cccc(-c2ccc3[n-]c(C(=O)OC)nc3c2)c1 ZINC001241116056 821570901 /nfs/dbraw/zinc/57/09/01/821570901.db2.gz FGIYSCDBXXPMLU-UHFFFAOYSA-N -1 1 296.326 3.415 20 0 CGADMM CCOc1cccc(-c2ccc3nc(C(=O)OC)[n-]c3c2)c1 ZINC001241116056 821570906 /nfs/dbraw/zinc/57/09/06/821570906.db2.gz FGIYSCDBXXPMLU-UHFFFAOYSA-N -1 1 296.326 3.415 20 0 CGADMM CCCc1cncnc1-c1c(F)cc([O-])cc1F ZINC001241117271 821571592 /nfs/dbraw/zinc/57/15/92/821571592.db2.gz LHPMPUHENFSIJA-UHFFFAOYSA-N -1 1 250.248 3.080 20 0 CGADMM COc1cccc(F)c1-c1c(F)cc([O-])cc1F ZINC001241119418 821574859 /nfs/dbraw/zinc/57/48/59/821574859.db2.gz MYRYBUCXYQFUTB-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3c2OCO3)c(F)c1 ZINC001241119449 821574880 /nfs/dbraw/zinc/57/48/80/821574880.db2.gz OGKZYWSYLUSSNA-UHFFFAOYSA-N -1 1 250.200 3.066 20 0 CGADMM CC(C)COc1cncc(-c2c(F)cc([O-])cc2F)n1 ZINC001241120233 821576181 /nfs/dbraw/zinc/57/61/81/821576181.db2.gz NNZNHDCJSXTDBG-UHFFFAOYSA-N -1 1 280.274 3.162 20 0 CGADMM O=C1CCc2ccc(-c3c(F)cc([O-])cc3F)cc2N1 ZINC001241122325 821578203 /nfs/dbraw/zinc/57/82/03/821578203.db2.gz LYICMORVXHEAAC-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM O=C([O-])c1cc(-c2ccc3nc[nH]c3c2)ccc1F ZINC001241245373 821666940 /nfs/dbraw/zinc/66/69/40/821666940.db2.gz LXHXMOBHKPIZRT-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM CCOC(=O)c1c(C)ccnc1-c1c(F)ccc([O-])c1F ZINC001241288931 821706064 /nfs/dbraw/zinc/70/60/64/821706064.db2.gz BWBDEPSWWPESSX-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3c2SCCC3)c1F ZINC001241289967 821706206 /nfs/dbraw/zinc/70/62/06/821706206.db2.gz HBISIUGCOCJLFT-UHFFFAOYSA-N -1 1 280.299 3.166 20 0 CGADMM CCO/C=C\c1nccnc1-c1c(F)ccc([O-])c1F ZINC001241290468 821706306 /nfs/dbraw/zinc/70/63/06/821706306.db2.gz SOVOIHLDGLAHJH-YVMONPNESA-N -1 1 278.258 3.135 20 0 CGADMM CSc1cccc(-c2c(F)ccc([O-])c2F)n1 ZINC001241289633 821706356 /nfs/dbraw/zinc/70/63/56/821706356.db2.gz BEKCXQPVHJZZGE-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM Cc1nc2c(c(-c3c(F)ccc([O-])c3F)n1)CCCC2 ZINC001241289079 821706816 /nfs/dbraw/zinc/70/68/16/821706816.db2.gz JZWGKZJGPDASJN-UHFFFAOYSA-N -1 1 276.286 3.315 20 0 CGADMM Cc1cc2nc[nH]c2cc1-c1cccc(C(=O)[O-])c1 ZINC001241359515 821761028 /nfs/dbraw/zinc/76/10/28/821761028.db2.gz KHPOMAZOJSQTFB-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM [O-]c1ccc(-c2cnc3cccnc3n2)cc1C(F)(F)F ZINC001242150952 822895098 /nfs/dbraw/zinc/89/50/98/822895098.db2.gz ASHWFFJQJLIERT-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM [O-]c1ccc(-c2cnc3ncccc3n2)cc1C(F)(F)F ZINC001242151887 822895668 /nfs/dbraw/zinc/89/56/68/822895668.db2.gz XTKJCNBFQIEPDI-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM CCOc1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151247 822895983 /nfs/dbraw/zinc/89/59/83/822895983.db2.gz IKIRRQZOUNPWAU-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM COc1cnc(C)nc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242153483 822896793 /nfs/dbraw/zinc/89/67/93/822896793.db2.gz YQXAXVKTUANCIR-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM CCOC(=O)c1ncc(-c2ccc(F)cc2[O-])cc1C ZINC001242218904 822915465 /nfs/dbraw/zinc/91/54/65/822915465.db2.gz DKQCSXYMSZZYPQ-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM COC(=O)c1c(F)cc(F)cc1-c1ccc(F)cc1[O-] ZINC001242218831 822915751 /nfs/dbraw/zinc/91/57/51/822915751.db2.gz RAPUFAOQPSEUCE-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM O=c1ccc2cccc(-c3ccc(F)cc3[O-])c2o1 ZINC001242220594 822916862 /nfs/dbraw/zinc/91/68/62/822916862.db2.gz GPPBRBFCTKEFSP-UHFFFAOYSA-N -1 1 256.232 3.305 20 0 CGADMM CSc1nc(-c2cccc(C)c2[O-])ncc1F ZINC001242344113 822957418 /nfs/dbraw/zinc/95/74/18/822957418.db2.gz PELIKAZRKRSEIY-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM Cc1cccc(-c2nccc(-c3cccnc3F)n2)c1[O-] ZINC001242344677 822957959 /nfs/dbraw/zinc/95/79/59/822957959.db2.gz UIWQCCJKQRRVOQ-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM COC(=O)c1c(F)cc(C)cc1-c1cccc(F)c1[O-] ZINC001242353513 822963257 /nfs/dbraw/zinc/96/32/57/822963257.db2.gz FWZWFNKIEQMNID-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM CCOC(=O)c1cc(-c2cccc(Cl)c2[O-])ccn1 ZINC001242366219 822969059 /nfs/dbraw/zinc/96/90/59/822969059.db2.gz HFOJUWNRDNUAKJ-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM O=C([O-])CC[C@@H](CNCc1ccc(Cl)o1)C(F)(F)F ZINC001347178819 936873425 /nfs/dbraw/zinc/87/34/25/936873425.db2.gz QUWNXQIZUKVKHX-ZETCQYMHSA-N -1 1 299.676 3.066 20 0 CGADMM C[C@@H](CCCCC(=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC001353944265 937084015 /nfs/dbraw/zinc/08/40/15/937084015.db2.gz BWJYDWKKJNTPHP-NSHDSACASA-N -1 1 282.384 3.095 20 0 CGADMM Cc1nc(SCC23CCC(CC2)C3)[n-]c(=O)c1C ZINC001473011021 937152803 /nfs/dbraw/zinc/15/28/03/937152803.db2.gz GQEMXQWJKRCANU-UHFFFAOYSA-N -1 1 264.394 3.471 20 0 CGADMM CCOc1cc(C)ccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001441822677 937339803 /nfs/dbraw/zinc/33/98/03/937339803.db2.gz QKVWSTMECYKZHF-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM Cc1cccc2c1CCCN2C(=O)c1cccc([O-])c1F ZINC001443891840 937349191 /nfs/dbraw/zinc/34/91/91/937349191.db2.gz HPBJDFRVYFFHAG-UHFFFAOYSA-N -1 1 285.318 3.433 20 0 CGADMM CC(C)C1CCC(NC(=O)c2c([O-])cccc2F)CC1 ZINC001445632252 937358899 /nfs/dbraw/zinc/35/88/99/937358899.db2.gz RKMFMNDHTJFJJT-UHFFFAOYSA-N -1 1 279.355 3.476 20 0 CGADMM Cc1cnc(C(=O)NCCC2=CCCCCC2)c([O-])c1 ZINC001447504766 937369165 /nfs/dbraw/zinc/36/91/65/937369165.db2.gz GADHHNXBXODRHW-UHFFFAOYSA-N -1 1 274.364 3.106 20 0 CGADMM CS[C@H](CNC(=O)c1ccc(F)c([O-])c1)C(C)(C)C ZINC001447625490 937369476 /nfs/dbraw/zinc/36/94/76/937369476.db2.gz DSORYZPPKJPCEJ-GFCCVEGCSA-N -1 1 285.384 3.039 20 0 CGADMM CC(C)(C)C1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001447755491 937371366 /nfs/dbraw/zinc/37/13/66/937371366.db2.gz BRQRCIFLOTZAMD-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM CN(Cc1c(F)cccc1F)C(=O)c1ccc(F)c([O-])c1 ZINC001450346461 937384850 /nfs/dbraw/zinc/38/48/50/937384850.db2.gz KGWCJJKNHVHABU-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CCCCC23CCCC3)c([O-])c1 ZINC001450451654 937385325 /nfs/dbraw/zinc/38/53/25/937385325.db2.gz STRPZXSZCOMSLR-CQSZACIVSA-N -1 1 288.391 3.328 20 0 CGADMM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1ccc(F)c([O-])c1 ZINC001450586553 937386097 /nfs/dbraw/zinc/38/60/97/937386097.db2.gz KMOORIOTGKATIG-VXGBXAGGSA-N -1 1 295.354 3.361 20 0 CGADMM O=C(NCc1ccnc(Cl)c1)c1ccc(Cl)cc1[O-] ZINC001451422724 937390395 /nfs/dbraw/zinc/39/03/95/937390395.db2.gz XJDWGMFNIUCMMT-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1C[C@H]1C1CCCC1 ZINC001451754931 937391933 /nfs/dbraw/zinc/39/19/33/937391933.db2.gz MIILEXPXJKDKKR-QWRGUYRKSA-N -1 1 281.302 3.435 20 0 CGADMM CC(C)c1oncc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001450901877 937387688 /nfs/dbraw/zinc/38/76/88/937387688.db2.gz WOVDGHZPZLJPQM-UHFFFAOYSA-N -1 1 282.246 3.034 20 0 CGADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001455451821 937417622 /nfs/dbraw/zinc/41/76/22/937417622.db2.gz RGVXQZGAMDQYAK-NHYWBVRUSA-N -1 1 281.783 3.344 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC001456723782 937434389 /nfs/dbraw/zinc/43/43/89/937434389.db2.gz AAMGLEAFXAMEQQ-SECBINFHSA-N -1 1 277.270 3.161 20 0 CGADMM CC[C@@H]1c2ccccc2CN1C(=O)c1ncc(C)cc1[O-] ZINC001457009899 937437334 /nfs/dbraw/zinc/43/73/34/937437334.db2.gz QDXRUFXSLQESNO-CQSZACIVSA-N -1 1 282.343 3.203 20 0 CGADMM O=C(NC[C@H]1C[C@@H]1C1CCCC1)c1c([O-])cccc1F ZINC001457313794 937441097 /nfs/dbraw/zinc/44/10/97/937441097.db2.gz VSUABAVLWUPUBF-VXGBXAGGSA-N -1 1 277.339 3.087 20 0 CGADMM O=C(NC[C@H]1C[C@H]1C1CCCC1)c1c([O-])cccc1F ZINC001457313787 937441244 /nfs/dbraw/zinc/44/12/44/937441244.db2.gz VSUABAVLWUPUBF-NEPJUHHUSA-N -1 1 277.339 3.087 20 0 CGADMM C[C@@H]1CC[C@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229136597 932103695 /nfs/dbraw/zinc/10/36/95/932103695.db2.gz WTSCMAHBNUPQGW-KOLCDFICSA-N -1 1 260.289 3.066 20 0 CGADMM CC(C)Oc1cc(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001229293885 932127533 /nfs/dbraw/zinc/12/75/33/932127533.db2.gz KKTKHNSWDUVXKT-UHFFFAOYSA-N -1 1 272.300 3.116 20 0 CGADMM Cc1ccc2c(c1)nc(=O)[nH]c2O[C@H](C)C1=CC=C[CH]1 ZINC001230888061 932636032 /nfs/dbraw/zinc/63/60/32/932636032.db2.gz JIWGSSOSWLFUJI-LLVKDONJSA-N -1 1 267.308 3.112 20 0 CGADMM C[C@@H](CSC(F)(F)F)C(=O)Nc1ccc(F)cc1[O-] ZINC001306783861 932886746 /nfs/dbraw/zinc/88/67/46/932886746.db2.gz RTCKFGMUXKOYSH-LURJTMIESA-N -1 1 297.273 3.359 20 0 CGADMM O=C(NC1CC=CC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC001306870708 932890105 /nfs/dbraw/zinc/89/01/05/932890105.db2.gz RMZACVBIKCBGLG-UHFFFAOYSA-N -1 1 288.734 3.042 20 0 CGADMM O=C(NC[C@@H]1CCCc2ccccc21)c1cc(F)ccc1[O-] ZINC001464030715 937684649 /nfs/dbraw/zinc/68/46/49/937684649.db2.gz LMGFYQLSVZHYSA-ZDUSSCGKSA-N -1 1 299.345 3.381 20 0 CGADMM C[C@@H](NC(=O)c1cccc([O-])c1F)c1ccc(F)c(F)c1 ZINC001465243081 937699439 /nfs/dbraw/zinc/69/94/39/937699439.db2.gz WYZFVVQBZQTBFW-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001465373190 937700301 /nfs/dbraw/zinc/70/03/01/937700301.db2.gz JJFMIJKYERZIIX-DTWKUNHWSA-N -1 1 287.281 3.282 20 0 CGADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc([O-])c2F)C1 ZINC001465441376 937701043 /nfs/dbraw/zinc/70/10/43/937701043.db2.gz CWJZLRYWXWCJBI-QWRGUYRKSA-N -1 1 297.395 3.278 20 0 CGADMM C[C@H]1CN(C(=O)c2cccc([O-])c2F)CC(C)(C)C1 ZINC001466377679 937708367 /nfs/dbraw/zinc/70/83/67/937708367.db2.gz CCOSOYCVQORXEJ-SNVBAGLBSA-N -1 1 265.328 3.040 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1cccnc1C1CC1 ZINC001468004007 937723792 /nfs/dbraw/zinc/72/37/92/937723792.db2.gz VVOFBWPTXIHSTR-UHFFFAOYSA-N -1 1 290.269 3.195 20 0 CGADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)n1cccc1 ZINC001319950798 933964222 /nfs/dbraw/zinc/96/42/22/933964222.db2.gz YXIFSZCBYWSUHP-VIFPVBQESA-N -1 1 264.712 3.047 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2cccc([O-])c2F)CC12CCC2 ZINC001468507959 937728605 /nfs/dbraw/zinc/72/86/05/937728605.db2.gz RNVQPDGQPABNJF-AWEZNQCLSA-N -1 1 277.339 3.182 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])cn1 ZINC001469161497 937735997 /nfs/dbraw/zinc/73/59/97/937735997.db2.gz PFISLPOSVYXQIJ-UHFFFAOYSA-N -1 1 292.285 3.441 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC001469047217 937734743 /nfs/dbraw/zinc/73/47/43/937734743.db2.gz ZPDUVZSFJUQMML-WXHSDQCUSA-N -1 1 276.380 3.040 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC001469047214 937734859 /nfs/dbraw/zinc/73/48/59/937734859.db2.gz ZPDUVZSFJUQMML-KGYLQXTDSA-N -1 1 276.380 3.040 20 0 CGADMM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cccc(F)c1[O-] ZINC001471166896 937762053 /nfs/dbraw/zinc/76/20/53/937762053.db2.gz SVIUBEPWFWPXHL-SNVBAGLBSA-N -1 1 291.297 3.488 20 0 CGADMM O=C(CCc1ccsc1)NCc1ccc([O-])c(Cl)c1 ZINC001471699842 937768244 /nfs/dbraw/zinc/76/82/44/937768244.db2.gz VGBJGGOGKMGTBG-UHFFFAOYSA-N -1 1 295.791 3.356 20 0 CGADMM Cc1cnc(SCc2cccc(F)c2F)[n-]c1=O ZINC001473035717 937790959 /nfs/dbraw/zinc/79/09/59/937790959.db2.gz KSBMIAFKWJPTCW-UHFFFAOYSA-N -1 1 268.288 3.061 20 0 CGADMM O=C(NCC1CCCCCC1)c1ccc([O-])c(F)c1 ZINC001326717303 935001449 /nfs/dbraw/zinc/00/14/49/935001449.db2.gz LCBXHBYAOCIHKL-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM CC(C)(C)O[N-]C(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC001332924001 935497988 /nfs/dbraw/zinc/49/79/88/935497988.db2.gz LXCBUYMGVSRUGS-LBPRGKRZSA-N -1 1 283.755 3.148 20 0 CGADMM CC1(CC(=O)Nc2cc(F)c([O-])cc2Cl)CC1 ZINC001335316068 936139244 /nfs/dbraw/zinc/13/92/44/936139244.db2.gz JQCQRJQWSLQOPF-UHFFFAOYSA-N -1 1 257.692 3.313 20 0 CGADMM CSc1cc(Cl)ccc1[N-]C(=O)c1cnsn1 ZINC001528377531 938067096 /nfs/dbraw/zinc/06/70/96/938067096.db2.gz PSABZFSAOIAPKD-UHFFFAOYSA-N -1 1 285.781 3.166 20 0 CGADMM Cc1nocc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC001537912686 938114161 /nfs/dbraw/zinc/11/41/61/938114161.db2.gz KPRZPNQGJFLXDN-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM Cc1csc(N(C)C(=O)Cc2ccc([O-])c(Cl)c2)n1 ZINC001542922784 938137410 /nfs/dbraw/zinc/13/74/10/938137410.db2.gz XLDOGLSULIHWJQ-UHFFFAOYSA-N -1 1 296.779 3.016 20 0 CGADMM CC(C)CC[C@H](NC(=O)c1ccc([O-])cn1)C(C)(C)C ZINC001543601869 938140680 /nfs/dbraw/zinc/14/06/80/938140680.db2.gz MKQXFOQGIHEGNE-AWEZNQCLSA-N -1 1 278.396 3.368 20 0 CGADMM CCC(CC)CN(CC)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001544032309 938142835 /nfs/dbraw/zinc/14/28/35/938142835.db2.gz XOLRWXGPPWVJAA-UHFFFAOYSA-N -1 1 291.391 3.411 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)[C@@H](C)C(C)(C)C)c1 ZINC001544620193 938146131 /nfs/dbraw/zinc/14/61/31/938146131.db2.gz FKYCWVSGSSMCLL-NSHDSACASA-N -1 1 277.364 3.020 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(F)c([O-])c2)o1 ZINC001544634502 938146178 /nfs/dbraw/zinc/14/61/78/938146178.db2.gz YKNGQCAZOPUDED-JOYOIKCWSA-N -1 1 289.306 3.178 20 0 CGADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])cn2)CC1 ZINC001556281540 938203092 /nfs/dbraw/zinc/20/30/92/938203092.db2.gz KNGCCSORFLAVRA-OLZOCXBDSA-N -1 1 276.380 3.122 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1cccc(F)c1F ZINC001556591975 938204407 /nfs/dbraw/zinc/20/44/07/938204407.db2.gz SMFLASMYVXHYFK-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)c([O-])c1 ZINC001557324073 938209322 /nfs/dbraw/zinc/20/93/22/938209322.db2.gz JHBNFNLJXPLDKV-GFJIZPEISA-N -1 1 288.391 3.040 20 0 CGADMM Cc1ccccc1C[C@H](C)C(=O)[N-]Oc1ccc(F)cc1 ZINC001557413135 938209852 /nfs/dbraw/zinc/20/98/52/938209852.db2.gz IPBTYFPVNLNEOG-ZDUSSCGKSA-N -1 1 287.334 3.423 20 0 CGADMM C[C@]1(CNC(=O)c2ncc3ccccc3c2[O-])C[C@H]2C[C@H]2C1 ZINC001557849153 938212163 /nfs/dbraw/zinc/21/21/63/938212163.db2.gz KPXVKWQTPIXRQR-MCBXIFIFSA-N -1 1 296.370 3.106 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccccc1Cl ZINC001557955792 938212756 /nfs/dbraw/zinc/21/27/56/938212756.db2.gz FFDNWDPCCHVFQQ-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM C[C@H]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001558383112 938215098 /nfs/dbraw/zinc/21/50/98/938215098.db2.gz XFLLREUUFSDJCH-WCBMZHEXSA-N -1 1 287.281 3.329 20 0 CGADMM CC[C@@H](CC(=O)NCCc1c(F)cc([O-])cc1F)C(C)C ZINC001558516414 938215935 /nfs/dbraw/zinc/21/59/35/938215935.db2.gz QPOTVYWMDFIXHD-NSHDSACASA-N -1 1 299.361 3.401 20 0 CGADMM CC(Cl)(Cl)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001558644274 938216910 /nfs/dbraw/zinc/21/69/10/938216910.db2.gz CWFDLMHMAQVNNG-UHFFFAOYSA-N -1 1 286.517 3.317 20 0 CGADMM O=C(NC[C@@H]1CCC=CCCC1)c1ccc([O-])c(F)c1 ZINC001558743605 938217611 /nfs/dbraw/zinc/21/76/11/938217611.db2.gz KDINDDJQMTYTQS-GFCCVEGCSA-N -1 1 277.339 3.398 20 0 CGADMM Cc1cccnc1[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC001558782057 938217768 /nfs/dbraw/zinc/21/77/68/938217768.db2.gz LOVPJNFFSDFSKE-JTQLQIEISA-N -1 1 290.750 3.240 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cnc2ccccc2c1 ZINC001558955678 938218539 /nfs/dbraw/zinc/21/85/39/938218539.db2.gz FGMNKCLREZNCNL-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C([O-])[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C1CC1 ZINC001594844848 954130346 /nfs/dbraw/zinc/13/03/46/954130346.db2.gz XULJEFNIEARCTK-JTQLQIEISA-N -1 1 282.752 3.172 20 0 CGADMM [O-]c1c(F)cc(-c2ccc(C3OCCO3)cc2)cc1F ZINC001244093672 960417541 /nfs/dbraw/zinc/41/75/41/960417541.db2.gz KHMKKMJLCOMKHP-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CNCc1cccc(Cl)c1 ZINC000235828773 960508277 /nfs/dbraw/zinc/50/82/77/960508277.db2.gz AMSLELQSLGDZTM-UHFFFAOYSA-N -1 1 279.723 3.229 20 0 CGADMM CC[C@H](Sc1nc(C)c(-c2ccccc2)[nH]1)C(=O)[O-] ZINC001595358416 960529642 /nfs/dbraw/zinc/52/96/42/960529642.db2.gz DZSXFUTZIFOXTP-NSHDSACASA-N -1 1 276.361 3.340 20 0 CGADMM Cc1cnc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)c([O-])c1 ZINC001566882963 961048485 /nfs/dbraw/zinc/04/84/85/961048485.db2.gz DFCRRIWHEBGZEU-BLLLJJGKSA-N -1 1 296.370 3.149 20 0 CGADMM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc([O-])cn1 ZINC001570015515 961888584 /nfs/dbraw/zinc/88/85/84/961888584.db2.gz ZIDDSISOBQQHPZ-IOASZLSFSA-N -1 1 296.370 3.194 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cc2ccccn2c1 ZINC001570464517 961971234 /nfs/dbraw/zinc/97/12/34/961971234.db2.gz FPRXHBOMRFUYPB-UHFFFAOYSA-N -1 1 288.253 3.175 20 0 CGADMM C[C@@H](NC(=O)c1cccc([O-])c1F)[C@H]1CC2CCC1CC2 ZINC001583398128 962801623 /nfs/dbraw/zinc/80/16/23/962801623.db2.gz OXEUCHYEJRDSPZ-MLCFOIATSA-N -1 1 291.366 3.476 20 0 CGADMM Cc1cc(=O)[nH]c2ccc(NC(=O)c3ccccc3[O-])cc12 ZINC001585109822 962984902 /nfs/dbraw/zinc/98/49/02/962984902.db2.gz UDNIWTFRLWADGH-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM CC(C)[C@](C)(Cc1ccccc1)NC(=O)c1ccc([O-])cn1 ZINC001587350556 963183939 /nfs/dbraw/zinc/18/39/39/963183939.db2.gz XTNXBKQSQFFHKL-SFHVURJKSA-N -1 1 298.386 3.174 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccsc1Cl ZINC001587393607 963190026 /nfs/dbraw/zinc/19/00/26/963190026.db2.gz JQQIBIKXPABVMH-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccc(F)cc1F ZINC001587384825 963190947 /nfs/dbraw/zinc/19/09/47/963190947.db2.gz BYYQBPLXJQJZIQ-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM C[C@H](NCc1ccccc1C(=O)[O-])c1ccc(Cl)cn1 ZINC001589131141 963353045 /nfs/dbraw/zinc/35/30/45/963353045.db2.gz BRRIUYRXSIVXSE-JTQLQIEISA-N -1 1 290.750 3.284 20 0 CGADMM CCC(C)(C)c1ccc(CN2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC001594814824 981941267 /nfs/dbraw/zinc/94/12/67/981941267.db2.gz YBWQZUAEAVSYFD-KRWDZBQOSA-N -1 1 293.382 3.373 20 0 CGADMM CCCc1nc(C)cc(OCc2ccccn2)c1C(=O)[O-] ZINC001596089030 983410110 /nfs/dbraw/zinc/41/01/10/983410110.db2.gz AIKAYMWSKMQXKL-UHFFFAOYSA-N -1 1 286.331 3.015 20 0 CGADMM CCc1ccc(C)nc1NCc1ccc(C(=O)[O-])cc1 ZINC001597514803 988123309 /nfs/dbraw/zinc/12/33/09/988123309.db2.gz UFXBCBXLJVZZCD-UHFFFAOYSA-N -1 1 270.332 3.263 20 0 CGADMM CC(C)(CCN1Cc2ccc(Cl)cc2C1)C(=O)[O-] ZINC001590671065 990379114 /nfs/dbraw/zinc/37/91/14/990379114.db2.gz LLRQOLTVAHTTOE-UHFFFAOYSA-N -1 1 267.756 3.157 20 0 CGADMM CC(C)CN([C@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001591289480 992233267 /nfs/dbraw/zinc/23/32/67/992233267.db2.gz DXLOXEXJHTWRPH-SECBINFHSA-N -1 1 268.382 3.023 20 0 CGADMM C[C@@H](N[C@@H](C)c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593196329 994154613 /nfs/dbraw/zinc/15/46/13/994154613.db2.gz HHOXAGDZBQMJBH-WDEREUQCSA-N -1 1 259.305 3.390 20 0 CGADMM C[C@@H](NC1(c2ccccc2)CC1)c1cc(C(=O)[O-])co1 ZINC001593208340 994224208 /nfs/dbraw/zinc/22/42/08/994224208.db2.gz BAWACDFQZSMFSH-LLVKDONJSA-N -1 1 271.316 3.318 20 0 CGADMM C[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1cccs1 ZINC001593299016 994720218 /nfs/dbraw/zinc/72/02/18/994720218.db2.gz PHHBVPLQAHOFGH-QMMMGPOBSA-N -1 1 296.779 3.346 20 0 CGADMM CC1(C)CCC[C@](NCc2cnc(C3CC3)o2)(C(=O)[O-])C1 ZINC001593896245 996752029 /nfs/dbraw/zinc/75/20/29/996752029.db2.gz SPBKHTJEKXVAHY-MRXNPFEDSA-N -1 1 292.379 3.065 20 0 CGADMM C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1csc(C(=O)[O-])c1 ZINC001594177376 998688249 /nfs/dbraw/zinc/68/82/49/998688249.db2.gz XASIBNJCDJEJJC-CBAPKCEASA-N -1 1 293.310 3.219 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CCCCC[C@H]1C ZINC001594372427 999407037 /nfs/dbraw/zinc/40/70/37/999407037.db2.gz XULNJKLCXLWCIP-NXEZZACHSA-N -1 1 268.382 3.167 20 0 CGADMM O=C(Nc1ccccc1OCCF)c1cc(F)ccc1[O-] ZINC000622629615 349691328 /nfs/dbraw/zinc/69/13/28/349691328.db2.gz WMGVWBRJFVXWAH-UHFFFAOYSA-N -1 1 293.269 3.132 20 0 CGADMM CC(C)O[C@H]1C[C@@H](NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000622686222 349694048 /nfs/dbraw/zinc/69/40/48/349694048.db2.gz CCLUIKZJWXEWFQ-GASCZTMLSA-N -1 1 299.370 3.231 20 0 CGADMM CCn1nc(C)cc1-c1cc(Cl)c(F)cc1[O-] ZINC000623048634 349756098 /nfs/dbraw/zinc/75/60/98/349756098.db2.gz OLOJGNQJUWWHPW-UHFFFAOYSA-N -1 1 254.692 3.377 20 0 CGADMM CCc1cncc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000436878263 529664771 /nfs/dbraw/zinc/66/47/71/529664771.db2.gz JHEHYFUHSAJWRH-UHFFFAOYSA-N -1 1 285.278 3.206 20 0 CGADMM CCOc1cc(C(=O)N(C)CC(C)C)cc(Cl)c1[O-] ZINC000273916977 192362232 /nfs/dbraw/zinc/36/22/32/192362232.db2.gz DUEJTHUAVREIAU-UHFFFAOYSA-N -1 1 285.771 3.172 20 0 CGADMM Cc1ccc(CN[C@](C)(CCc2ccccc2)C(=O)[O-])o1 ZINC000053043267 345114001 /nfs/dbraw/zinc/11/40/01/345114001.db2.gz RXQYLFUJMFPION-QGZVFWFLSA-N -1 1 287.359 3.154 20 0 CGADMM Cc1noc([N-]C(=O)c2ccc(-c3ccc(F)cc3)o2)n1 ZINC000042762527 282403504 /nfs/dbraw/zinc/40/35/04/282403504.db2.gz RBNIMUQBAPLACB-UHFFFAOYSA-N -1 1 287.250 3.029 20 0 CGADMM O=c1nc(-c2ccon2)[n-]c2scc(-c3ccccc3)c21 ZINC000074797436 345482915 /nfs/dbraw/zinc/48/29/15/345482915.db2.gz MDMQCTPYUBNEAT-UHFFFAOYSA-N -1 1 295.323 3.307 20 0 CGADMM Cc1ccccc1OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668508 345950068 /nfs/dbraw/zinc/95/00/68/345950068.db2.gz XUERSAZKIMNCFE-UHFFFAOYSA-N -1 1 291.734 3.372 20 0 CGADMM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccccc1[O-] ZINC000176059744 232329781 /nfs/dbraw/zinc/32/97/81/232329781.db2.gz KNYHVFJFJIMGOF-UHFFFAOYSA-N -1 1 281.311 3.164 20 0 CGADMM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)C1CC1 ZINC000171336810 346206909 /nfs/dbraw/zinc/20/69/09/346206909.db2.gz ZDSNKERUVPUYKK-UHFFFAOYSA-N -1 1 289.784 3.033 20 0 CGADMM CN(Cc1cccc(C(=O)[O-])c1Cl)C[C@H]1CCCCO1 ZINC000381582602 346558615 /nfs/dbraw/zinc/55/86/15/346558615.db2.gz JWAHNLMKKRRAAF-GFCCVEGCSA-N -1 1 297.782 3.039 20 0 CGADMM [O-]c1cccc(CN[C@H](CO)c2cccc(F)c2)c1Cl ZINC000339263182 215049813 /nfs/dbraw/zinc/04/98/13/215049813.db2.gz FPNDWIAEDOJNII-CYBMUJFWSA-N -1 1 295.741 3.008 20 0 CGADMM CC(C)c1nc(=NCCC(C)(C)c2ccccc2)o[n-]1 ZINC000605691838 348166446 /nfs/dbraw/zinc/16/64/46/348166446.db2.gz XIQBSISLCUNKLW-UHFFFAOYSA-N -1 1 273.380 3.395 20 0 CGADMM C[C@H](C(=O)Nc1c([O-])cccc1F)c1ccsc1 ZINC000608366377 348301384 /nfs/dbraw/zinc/30/13/84/348301384.db2.gz TUUYGOSGNAXUPU-QMMMGPOBSA-N -1 1 265.309 3.335 20 0 CGADMM CCc1ccc(CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000608367338 348302313 /nfs/dbraw/zinc/30/23/13/348302313.db2.gz WJUCVPLHKWXTSH-UHFFFAOYSA-N -1 1 273.307 3.275 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@@]12CCc1ccccc12 ZINC000608367542 348302423 /nfs/dbraw/zinc/30/24/23/348302423.db2.gz VOYUSTRFLIWQFM-FZKQIMNGSA-N -1 1 297.329 3.374 20 0 CGADMM CCCCS[C@H](C)C(=O)Nc1c([O-])cccc1F ZINC000609851215 348355017 /nfs/dbraw/zinc/35/50/17/348355017.db2.gz UYLUEAKNHGTXAV-SECBINFHSA-N -1 1 271.357 3.392 20 0 CGADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ncc2ccccc2c1[O-] ZINC000611746669 348472939 /nfs/dbraw/zinc/47/29/39/348472939.db2.gz BSGWERIMOBPCJW-DGCLKSJQSA-N -1 1 284.359 3.201 20 0 CGADMM CCc1c(C)[n-]n(-c2ncnc3sc(C)c(C)c32)c1=O ZINC000614185550 348656498 /nfs/dbraw/zinc/65/64/98/348656498.db2.gz NHSKNHPBAJSDEE-JTQLQIEISA-N -1 1 288.376 3.057 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(F)cc2Br)c1=O ZINC000614186155 348656544 /nfs/dbraw/zinc/65/65/44/348656544.db2.gz WEEKSNWZGQACBR-SECBINFHSA-N -1 1 299.143 3.337 20 0 CGADMM CC1(C)CN(C(=O)c2ncc3ccccc3c2[O-])[C@H]1C1CC1 ZINC000615036822 348710660 /nfs/dbraw/zinc/71/06/60/348710660.db2.gz BYCUUNVMZGZFIX-INIZCTEOSA-N -1 1 296.370 3.201 20 0 CGADMM CC1(C)CC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000616100978 348786269 /nfs/dbraw/zinc/78/62/69/348786269.db2.gz KWEOUOKLTDWTBO-ZETCQYMHSA-N -1 1 255.264 3.045 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])[C@H](C)C1 ZINC000616418017 348819289 /nfs/dbraw/zinc/81/92/89/348819289.db2.gz GFEDXDWYRRKNCX-VXGBXAGGSA-N -1 1 284.359 3.201 20 0 CGADMM CCc1nnsc1C(=O)[N-]c1cccc(F)c1SC ZINC000617275625 348941538 /nfs/dbraw/zinc/94/15/38/348941538.db2.gz FFCLBKCVRLAWNI-UHFFFAOYSA-N -1 1 297.380 3.214 20 0 CGADMM CC(C)N(C(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000271376876 191106606 /nfs/dbraw/zinc/10/66/06/191106606.db2.gz ZYTRDODXLLTALP-UHFFFAOYSA-N -1 1 298.180 3.168 20 0 CGADMM C[C@H]1CC[C@H](CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000629376445 350683279 /nfs/dbraw/zinc/68/32/79/350683279.db2.gz WHGHSWBOXOUBGM-STQMWFEESA-N -1 1 299.374 3.343 20 0 CGADMM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378471 350684130 /nfs/dbraw/zinc/68/41/30/350684130.db2.gz XNSYJBKLEWKSPZ-RYUDHWBXSA-N -1 1 287.363 3.199 20 0 CGADMM Cc1nc(SCC[C@@H]2CCCC2=O)[n-]c(=O)c1C1CC1 ZINC000631024446 350927612 /nfs/dbraw/zinc/92/76/12/350927612.db2.gz UDWWBSARUPMPTH-JTQLQIEISA-N -1 1 292.404 3.219 20 0 CGADMM CC(C)[C@@H](C)N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630690107 350870907 /nfs/dbraw/zinc/87/09/07/350870907.db2.gz JYWMSXGZMXZIMA-SNVBAGLBSA-N -1 1 269.772 3.091 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000631515705 351057555 /nfs/dbraw/zinc/05/75/55/351057555.db2.gz DOMZNRRFDMENEA-TZMCWYRMSA-N -1 1 293.794 3.379 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC(C1CC1)C1CC1 ZINC000631546452 351063357 /nfs/dbraw/zinc/06/33/57/351063357.db2.gz VZPYUUBMYPVYQS-UHFFFAOYSA-N -1 1 293.794 3.141 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC2(C1)CCCCC2 ZINC000632348586 351194331 /nfs/dbraw/zinc/19/43/31/351194331.db2.gz LHBXLAQTHIFMGT-UHFFFAOYSA-N -1 1 293.794 3.381 20 0 CGADMM CCC(C)(C)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632759117 351213166 /nfs/dbraw/zinc/21/31/66/351213166.db2.gz NOSPPZHPCRIFIA-UHFFFAOYSA-N -1 1 269.772 3.141 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)[C@H]1c1ccco1 ZINC000633791184 351374893 /nfs/dbraw/zinc/37/48/93/351374893.db2.gz DYNBKUGMONQUBL-AWEZNQCLSA-N -1 1 289.306 3.348 20 0 CGADMM CC(NC(=O)Cc1ccc([O-])c(Cl)c1)(C1CC1)C1CC1 ZINC000633643405 351338196 /nfs/dbraw/zinc/33/81/96/351338196.db2.gz JQUSUOBEKIOONW-UHFFFAOYSA-N -1 1 293.794 3.283 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@H]1CCCC12CC2 ZINC000633696676 351347733 /nfs/dbraw/zinc/34/77/33/351347733.db2.gz IWQVHKMGYKDFMA-GFCCVEGCSA-N -1 1 293.794 3.285 20 0 CGADMM COc1cc(C(=O)N[C@]23C[C@H]2CCCC3)cc(Cl)c1[O-] ZINC000634082194 351433496 /nfs/dbraw/zinc/43/34/96/351433496.db2.gz SNTYCBJZIKFZAN-MEBBXXQBSA-N -1 1 295.766 3.117 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(Br)cc3)c(=O)c21 ZINC000634588098 351526484 /nfs/dbraw/zinc/52/64/84/351526484.db2.gz JERQFELAIVRLSN-UFBFGSQYSA-N -1 1 293.164 3.198 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3cccc(C(F)(F)F)c3)c(=O)c21 ZINC000634593329 351529582 /nfs/dbraw/zinc/52/95/82/351529582.db2.gz LRFPRXRXCOQPBC-UFBFGSQYSA-N -1 1 282.265 3.454 20 0 CGADMM CCc1c(C)[n-]n(-c2cccc(Cl)c2F)c1=O ZINC000634594971 351530831 /nfs/dbraw/zinc/53/08/31/351530831.db2.gz MMRSFSNTNIGSHI-QMMMGPOBSA-N -1 1 254.692 3.228 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(F)c(Cl)c3)c(=O)c21 ZINC000634596761 351533019 /nfs/dbraw/zinc/53/30/19/351533019.db2.gz QDMDXHFEBRDDEM-KRTXAFLBSA-N -1 1 266.703 3.228 20 0 CGADMM Cc1sccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000634795895 351587564 /nfs/dbraw/zinc/58/75/64/351587564.db2.gz TWTQVSXVADALGF-UHFFFAOYSA-N -1 1 293.413 3.346 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1cccc(F)c1 ZINC000292332602 198247313 /nfs/dbraw/zinc/24/73/13/198247313.db2.gz WNDVHXORPZHPOJ-GHMZBOCLSA-N -1 1 253.317 3.023 20 0 CGADMM COC(C)(C)CS(=O)(=O)[N-]c1csc2ccccc12 ZINC000414386318 235399475 /nfs/dbraw/zinc/39/94/75/235399475.db2.gz WZXFCJXMRDYWCA-UHFFFAOYSA-N -1 1 299.417 3.068 20 0 CGADMM Cc1c2cccc(C)c2oc1C(=O)Nc1ccncc1[O-] ZINC000109889412 138361997 /nfs/dbraw/zinc/36/19/97/138361997.db2.gz VVECDDKLXLLJTO-UHFFFAOYSA-N -1 1 282.299 3.403 20 0 CGADMM Cc1ccc(F)c(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426815082 236316551 /nfs/dbraw/zinc/31/65/51/236316551.db2.gz CSYBYYABYOOFNP-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM Cc1cc(N[C@@H](C(=O)[O-])C(C)C)c2cc(F)ccc2n1 ZINC000263405789 138570898 /nfs/dbraw/zinc/57/08/98/138570898.db2.gz KOAAMSOVRCWCRV-CQSZACIVSA-N -1 1 276.311 3.203 20 0 CGADMM COc1ccc(C(=O)Nc2ccc3ccccc3n2)c([O-])c1 ZINC000436563348 237131212 /nfs/dbraw/zinc/13/12/12/237131212.db2.gz LLGQRDVZLPGSDX-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM Cc1ccn(-c2ccc(NC(=O)c3ccccc3[O-])cc2)n1 ZINC000436734718 237169153 /nfs/dbraw/zinc/16/91/53/237169153.db2.gz LDERZHTXPJOUSU-UHFFFAOYSA-N -1 1 293.326 3.139 20 0 CGADMM O=C(N[C@@H](c1cccs1)C1CC1)c1c([O-])cccc1F ZINC000436940435 237219012 /nfs/dbraw/zinc/21/90/12/237219012.db2.gz ABVMRQLIPZXOSR-CQSZACIVSA-N -1 1 291.347 3.474 20 0 CGADMM O=C(N[C@H](c1cccs1)C1CC1)c1c([O-])cccc1F ZINC000436940434 237219072 /nfs/dbraw/zinc/21/90/72/237219072.db2.gz ABVMRQLIPZXOSR-AWEZNQCLSA-N -1 1 291.347 3.474 20 0 CGADMM Cc1c(=O)[n-]c(SCC[C@H](C)O)nc1-c1ccccc1 ZINC000439284281 238247751 /nfs/dbraw/zinc/24/77/51/238247751.db2.gz LXJXXLUURYBQRU-JTQLQIEISA-N -1 1 290.388 3.021 20 0 CGADMM C[C@H]1[C@H](NC(=O)c2ccc([O-])cc2F)CCC[C@@H]1C ZINC000154753711 291309133 /nfs/dbraw/zinc/30/91/33/291309133.db2.gz KGAQDQZSNSZJIP-IMSIIYSGSA-N -1 1 265.328 3.086 20 0 CGADMM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000457297262 241608901 /nfs/dbraw/zinc/60/89/01/241608901.db2.gz SFGXLIUVIAIEIF-ZFWWWQNUSA-N -1 1 265.328 3.086 20 0 CGADMM CCC(CC)(CC)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000462328954 242337268 /nfs/dbraw/zinc/33/72/68/242337268.db2.gz UNQJAJSCJAYMLH-UHFFFAOYSA-N -1 1 291.363 3.212 20 0 CGADMM CN(Cc1cccs1)C(=O)c1ccc(Cl)cc1[O-] ZINC000035122201 368998907 /nfs/dbraw/zinc/99/89/07/368998907.db2.gz OUIYCTNMPMEBCN-UHFFFAOYSA-N -1 1 281.764 3.379 20 0 CGADMM CC[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000037915240 369125265 /nfs/dbraw/zinc/12/52/65/369125265.db2.gz BKOXWIYZNVZSIW-JTQLQIEISA-N -1 1 253.729 3.060 20 0 CGADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000048652483 369363251 /nfs/dbraw/zinc/36/32/51/369363251.db2.gz UDPANENOLNLLRP-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM C[C@H](c1ccccc1Cl)N(C)C(=O)c1ncccc1[O-] ZINC000062017706 369614930 /nfs/dbraw/zinc/61/49/30/369614930.db2.gz NNBBSCFSBDCKEL-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCS1 ZINC000075385550 369906665 /nfs/dbraw/zinc/90/66/65/369906665.db2.gz AKTHEHXHGUIJEK-SNVBAGLBSA-N -1 1 285.796 3.013 20 0 CGADMM CC(C)(C)[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000111776280 370407811 /nfs/dbraw/zinc/40/78/11/370407811.db2.gz AGUREBYLWATGOL-OAHLLOKOSA-N -1 1 284.359 3.304 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC000116057515 370545916 /nfs/dbraw/zinc/54/59/16/370545916.db2.gz LUKQJHWFRMVCDL-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CN(C[C@@H]1CCCCO1)C(=O)c1ccc2ccccc2c1[O-] ZINC000134124738 371304388 /nfs/dbraw/zinc/30/43/88/371304388.db2.gz DUVZSWWGYSLRKU-AWEZNQCLSA-N -1 1 299.370 3.187 20 0 CGADMM Cc1cc([C@H](C)NC(=O)c2cc(F)ccc2[O-])c(C)o1 ZINC000149091787 371526136 /nfs/dbraw/zinc/52/61/36/371526136.db2.gz KMIWGYVSZBMPID-VIFPVBQESA-N -1 1 277.295 3.232 20 0 CGADMM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1cncc([O-])c1 ZINC000422070500 371727614 /nfs/dbraw/zinc/72/76/14/371727614.db2.gz RALBZXQZCPUTQY-MRXNPFEDSA-N -1 1 296.370 3.196 20 0 CGADMM O=C(Nc1ccc(-c2ncco2)cc1)c1cc(F)ccc1[O-] ZINC000153852956 371793367 /nfs/dbraw/zinc/79/33/67/371793367.db2.gz PERDWLYFEPOSOX-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM CCc1ccccc1CNC(=O)c1ccc([O-])cc1F ZINC000154918274 371890520 /nfs/dbraw/zinc/89/05/20/371890520.db2.gz IPJDGGWPRHRROB-UHFFFAOYSA-N -1 1 273.307 3.024 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCC1(F)F ZINC000290796673 372053571 /nfs/dbraw/zinc/05/35/71/372053571.db2.gz DIPSZKGGFGGZPT-MRVPVSSYSA-N -1 1 289.709 3.163 20 0 CGADMM O=c1nc(-c2ccc([O-])cn2)[nH]c2sc3c(c21)CCCC3 ZINC000292110305 372181844 /nfs/dbraw/zinc/18/18/44/372181844.db2.gz QHBRWNGQZIECEP-UHFFFAOYSA-N -1 1 299.355 3.043 20 0 CGADMM CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000293469702 372389680 /nfs/dbraw/zinc/38/96/80/372389680.db2.gz UTEFOKGLSBEZHU-ZWNOBZJWSA-N -1 1 283.755 3.189 20 0 CGADMM CC(F)(F)C(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC000293545452 372407739 /nfs/dbraw/zinc/40/77/39/372407739.db2.gz SLIFESKYLJWTAA-JTQLQIEISA-N -1 1 295.251 3.322 20 0 CGADMM Cc1cc(F)cc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000432222990 372547746 /nfs/dbraw/zinc/54/77/46/372547746.db2.gz KBLBAFYLYSYXDW-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)cc1 ZINC000432199871 372544840 /nfs/dbraw/zinc/54/48/40/372544840.db2.gz BYWSKWGSFRNCHZ-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])C1(C(F)(F)F)CCC1 ZINC000295368211 372752624 /nfs/dbraw/zinc/75/26/24/372752624.db2.gz JSDICMCFUBXWBV-UHFFFAOYSA-N -1 1 294.660 3.112 20 0 CGADMM Oc1ccc(F)c(C[N@H+]2CCCC3(CCOCC3)C2)c1F ZINC000295390719 372759953 /nfs/dbraw/zinc/75/99/53/372759953.db2.gz PVHFZDPEKWJOJR-UHFFFAOYSA-N -1 1 297.345 3.063 20 0 CGADMM COc1ccc(C(=O)Nc2cc3[nH]ccc3cc2C)c([O-])c1 ZINC000444444550 373188504 /nfs/dbraw/zinc/18/85/04/373188504.db2.gz AUHOOFCRBTTZQS-UHFFFAOYSA-N -1 1 296.326 3.443 20 0 CGADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1c1ccccc1 ZINC000174231018 373272760 /nfs/dbraw/zinc/27/27/60/373272760.db2.gz GVEOVPMDJLQCBK-HIFRSBDPSA-N -1 1 296.370 3.053 20 0 CGADMM CCCCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301195990 373688940 /nfs/dbraw/zinc/68/89/40/373688940.db2.gz ZBKJGBBCRUACML-UHFFFAOYSA-N -1 1 272.352 3.073 20 0 CGADMM Cc1ccc(F)c(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181095904 374078620 /nfs/dbraw/zinc/07/86/20/374078620.db2.gz KPVNRTFTQXREAB-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM O=C(NCC1(c2ccccc2)CCC1)c1ccc([O-])cc1F ZINC000181082762 374075961 /nfs/dbraw/zinc/07/59/61/374075961.db2.gz WQVHKMZRWOMRAB-UHFFFAOYSA-N -1 1 299.345 3.383 20 0 CGADMM O=C(Nc1cc(Cl)ccc1O)c1ccc([O-])cc1F ZINC000181168166 374088559 /nfs/dbraw/zinc/08/85/59/374088559.db2.gz NOOIETLOBVZCTH-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM Cc1cccc(N(C)C(=O)c2ccc([O-])cc2F)c1 ZINC000181942320 374194432 /nfs/dbraw/zinc/19/44/32/374194432.db2.gz ARRORUYSBCOYMO-UHFFFAOYSA-N -1 1 259.280 3.116 20 0 CGADMM C[C@@H]1CC[C@@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000311623437 374250148 /nfs/dbraw/zinc/25/01/48/374250148.db2.gz MPNFWBHTHPXQMN-YGRLFVJLSA-N -1 1 255.317 3.074 20 0 CGADMM C[C@H](CNC(=O)c1ccc(Cl)cc1[O-])c1nccs1 ZINC000184292220 374512136 /nfs/dbraw/zinc/51/21/36/374512136.db2.gz BJOVEOQPPKFQEK-MRVPVSSYSA-N -1 1 296.779 3.036 20 0 CGADMM Cc1ccc(CSc2nc(C)c(C)c(=O)[n-]2)c(C)n1 ZINC000331086742 374502406 /nfs/dbraw/zinc/50/24/06/374502406.db2.gz PTXGGQPITRAIII-UHFFFAOYSA-N -1 1 275.377 3.103 20 0 CGADMM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccsc1 ZINC000091780473 541969225 /nfs/dbraw/zinc/96/92/25/541969225.db2.gz VMGRQSWFLKKAHW-VIFPVBQESA-N -1 1 265.334 3.232 20 0 CGADMM CC[C@@H](C)OCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000277888985 193788194 /nfs/dbraw/zinc/78/81/94/193788194.db2.gz CUPIKLKOAALAHY-MRVPVSSYSA-N -1 1 282.727 3.411 20 0 CGADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335218372 375238102 /nfs/dbraw/zinc/23/81/02/375238102.db2.gz RZRJZZLUOQLIJH-XLKFXECMSA-N -1 1 269.291 3.291 20 0 CGADMM C[C@@H]1CCN(Cc2c(F)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000335424118 375281817 /nfs/dbraw/zinc/28/18/17/375281817.db2.gz MOMFFRZWGANKCO-NXEZZACHSA-N -1 1 285.746 3.022 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2ccsc2)cc1C ZINC000507940033 375729910 /nfs/dbraw/zinc/72/99/10/375729910.db2.gz XBEYJHCXYSAHKB-UHFFFAOYSA-N -1 1 281.402 3.420 20 0 CGADMM Cc1c2ccccc2nc(C[N@@H+](C)CC2CC2)c1C(=O)[O-] ZINC000519554912 375845323 /nfs/dbraw/zinc/84/53/23/375845323.db2.gz WUTQVBXGEPAMBR-UHFFFAOYSA-N -1 1 284.359 3.083 20 0 CGADMM COC(=O)c1c[n-]c(S[C@H](C)c2ccccc2C)n1 ZINC000193542844 375892349 /nfs/dbraw/zinc/89/23/49/375892349.db2.gz DHKDCEKTRCLTCK-SNVBAGLBSA-N -1 1 276.361 3.358 20 0 CGADMM CO[C@H](C)c1nc(=NCC2CCC(C)(C)CC2)s[n-]1 ZINC000336815990 375970013 /nfs/dbraw/zinc/97/00/13/375970013.db2.gz JZYRRDNMIQGDRD-SNVBAGLBSA-N -1 1 283.441 3.296 20 0 CGADMM CNC(=O)c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000336903294 376026939 /nfs/dbraw/zinc/02/69/39/376026939.db2.gz VAXCHOWFQWJZDH-UHFFFAOYSA-N -1 1 290.750 3.017 20 0 CGADMM O=C(NCCC1=CCCCC1)c1cc(F)ccc1[O-] ZINC000223855627 376263705 /nfs/dbraw/zinc/26/37/05/376263705.db2.gz CTUMCSXJMMIBKZ-UHFFFAOYSA-N -1 1 263.312 3.152 20 0 CGADMM C[C@@H](c1ccc(F)c(Cl)c1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226398470 376358165 /nfs/dbraw/zinc/35/81/65/376358165.db2.gz OWFSWHKJCXGAOK-GXSJLCMTSA-N -1 1 285.746 3.337 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421333 376358359 /nfs/dbraw/zinc/35/83/59/376358359.db2.gz RVUGWNQHTOJTSK-QWRGUYRKSA-N -1 1 283.318 3.213 20 0 CGADMM CC(C)[C@H]1CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000334323221 206367806 /nfs/dbraw/zinc/36/78/06/206367806.db2.gz JLJQUSPAJYIPJY-LLVKDONJSA-N -1 1 298.180 3.025 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1F ZINC000340329870 377005925 /nfs/dbraw/zinc/00/59/25/377005925.db2.gz MKENPFDWDWIQSA-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM Cc1ccc(CC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340330792 377006952 /nfs/dbraw/zinc/00/69/52/377006952.db2.gz VUZPSRJSMRMNHS-UHFFFAOYSA-N -1 1 259.280 3.021 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN1CCc2ccccc2C1 ZINC000563280477 377434054 /nfs/dbraw/zinc/43/40/54/377434054.db2.gz UXLHYEGBMLNLDA-UHFFFAOYSA-N -1 1 285.343 3.099 20 0 CGADMM C[C@H](CN(C)Cc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000263075859 377918362 /nfs/dbraw/zinc/91/83/62/377918362.db2.gz GKAXPMKKUSWVDO-ZCFIWIBFSA-N -1 1 282.192 3.207 20 0 CGADMM C[C@@H](C(=O)[O-])N(C)Cc1cc(-c2ccccc2)cs1 ZINC000263451675 377939113 /nfs/dbraw/zinc/93/91/13/377939113.db2.gz ZWTCZUQROQWAQB-NSHDSACASA-N -1 1 275.373 3.320 20 0 CGADMM C[C@H](C(=O)[O-])N(C)Cc1cc(-c2ccccc2)cs1 ZINC000263451673 377939776 /nfs/dbraw/zinc/93/97/76/377939776.db2.gz ZWTCZUQROQWAQB-LLVKDONJSA-N -1 1 275.373 3.320 20 0 CGADMM O=C([N-][C@H]1CCC[C@H]1Cc1ccccc1)C(F)(F)F ZINC000265678400 378007010 /nfs/dbraw/zinc/00/70/10/378007010.db2.gz IVMMCFOXRBHSNW-RYUDHWBXSA-N -1 1 271.282 3.076 20 0 CGADMM Cc1ccc([C@@H]2CCCN2Cc2occc2C(=O)[O-])o1 ZINC000579240482 378143685 /nfs/dbraw/zinc/14/36/85/378143685.db2.gz QGJHYDGGSHXAGS-LBPRGKRZSA-N -1 1 275.304 3.216 20 0 CGADMM COc1cccc2c(C(=O)N(C)c3cccc(C)c3)n[nH]c21 ZINC000345186952 378217185 /nfs/dbraw/zinc/21/71/85/378217185.db2.gz LMLOVYFMUYDWGG-UHFFFAOYSA-N -1 1 295.342 3.157 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])C1CCC(F)(F)CC1 ZINC000270396496 378346026 /nfs/dbraw/zinc/34/60/26/378346026.db2.gz UIWMTMGTFGIQMB-UHFFFAOYSA-N -1 1 273.254 3.295 20 0 CGADMM Cc1ccc([C@H]2CCCN2Cc2ccoc2C(=O)[O-])o1 ZINC000583818270 378350346 /nfs/dbraw/zinc/35/03/46/378350346.db2.gz UIEHUPCSVVJPEO-GFCCVEGCSA-N -1 1 275.304 3.216 20 0 CGADMM CCC[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2[O-])CCO1 ZINC000272636643 378681463 /nfs/dbraw/zinc/68/14/63/378681463.db2.gz CPIMPWUMEPHHLW-PWSUYJOCSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cncc([O-])c1 ZINC000274443360 378834163 /nfs/dbraw/zinc/83/41/63/378834163.db2.gz IMPGTKCFCOGXPP-SFHVURJKSA-N -1 1 296.370 3.025 20 0 CGADMM C[C@H]1CC2(CCC2)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000370667112 379050268 /nfs/dbraw/zinc/05/02/68/379050268.db2.gz YGBAIPVWBFDJMX-JTQLQIEISA-N -1 1 279.767 3.450 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000267923647 296289761 /nfs/dbraw/zinc/28/97/61/296289761.db2.gz DBFKCXPYGHSQAI-MRXNPFEDSA-N -1 1 296.370 3.025 20 0 CGADMM Cc1cncc(CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000277840936 379246257 /nfs/dbraw/zinc/24/62/57/379246257.db2.gz ZKYUPNLSWULWIB-UHFFFAOYSA-N -1 1 273.361 3.055 20 0 CGADMM COCCC[C@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000277901302 379260649 /nfs/dbraw/zinc/26/06/49/379260649.db2.gz DOAXHPUQAJTTNQ-VIFPVBQESA-N -1 1 280.299 3.111 20 0 CGADMM CCO[C@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278274709 379332587 /nfs/dbraw/zinc/33/25/87/379332587.db2.gz VVSKMNJQZWACPI-SSDOTTSWSA-N -1 1 268.700 3.193 20 0 CGADMM COC(=O)c1c[n-]c(SCc2sccc2Cl)n1 ZINC000349817848 379398562 /nfs/dbraw/zinc/39/85/62/379398562.db2.gz BZNGTJLLJAPHAX-UHFFFAOYSA-N -1 1 288.781 3.204 20 0 CGADMM [O-]c1ccc(-c2noc(COc3ccsc3)n2)c(F)c1 ZINC000350586884 379566136 /nfs/dbraw/zinc/56/61/36/379566136.db2.gz BQTCWSNSHIICIL-UHFFFAOYSA-N -1 1 292.291 3.222 20 0 CGADMM CC[C@@H]1CCCN1C(=O)N=c1[n-]sc2ccccc21 ZINC000640341034 379771197 /nfs/dbraw/zinc/77/11/97/379771197.db2.gz QPLOWNNWVPFFOG-SNVBAGLBSA-N -1 1 275.377 3.125 20 0 CGADMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(F)F ZINC000352547701 379853326 /nfs/dbraw/zinc/85/33/26/379853326.db2.gz JDOVBUALSDWFIV-UHFFFAOYSA-N -1 1 295.289 3.012 20 0 CGADMM CCN(C(=O)c1ncc(C)cc1[O-])[C@@H]1CCCC[C@@H]1C ZINC000408369034 380007410 /nfs/dbraw/zinc/00/74/10/380007410.db2.gz QOZLOGZKCGOVFL-QWHCGFSZSA-N -1 1 276.380 3.136 20 0 CGADMM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(SC)s1 ZINC000414688309 380375032 /nfs/dbraw/zinc/37/50/32/380375032.db2.gz YLTVYIVGICXYDI-SECBINFHSA-N -1 1 273.423 3.155 20 0 CGADMM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000354698018 380529442 /nfs/dbraw/zinc/52/94/42/380529442.db2.gz PCCYRVOKUIKVQJ-YVEFUNNKSA-N -1 1 296.370 3.231 20 0 CGADMM Cc1ccc2c(c1)CN(C(=O)c1ncccc1[O-])C(C)(C)C2 ZINC000358877143 381330503 /nfs/dbraw/zinc/33/05/03/381330503.db2.gz QGCQYFGVIWKUFP-UHFFFAOYSA-N -1 1 296.370 3.073 20 0 CGADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000360661746 381610273 /nfs/dbraw/zinc/61/02/73/381610273.db2.gz CBDWDSIYSXQHJL-QMTHXVAHSA-N -1 1 251.301 3.152 20 0 CGADMM CC(C)C[C@@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361369011 381720978 /nfs/dbraw/zinc/72/09/78/381720978.db2.gz WJLAWANGAANNDU-LLVKDONJSA-N -1 1 287.363 3.403 20 0 CGADMM CO[C@@H](c1nc(-c2ccc([O-])cc2Cl)no1)C1CC1 ZINC000289090981 197232422 /nfs/dbraw/zinc/23/24/22/197232422.db2.gz NVLFYJMNRTXOBP-LLVKDONJSA-N -1 1 280.711 3.193 20 0 CGADMM CN(C(=O)c1ccc([O-])cc1F)C1CCC(F)(F)CC1 ZINC000288440797 197079301 /nfs/dbraw/zinc/07/93/01/197079301.db2.gz YPUKZGQBUCVEHR-UHFFFAOYSA-N -1 1 287.281 3.181 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(F)cc1F ZINC000163580100 533274951 /nfs/dbraw/zinc/27/49/51/533274951.db2.gz CEWCUSMOYVCMIH-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])C1CCC(F)(F)CC1 ZINC000191976699 130342560 /nfs/dbraw/zinc/34/25/60/130342560.db2.gz BIDUVUFIOAIKFQ-UHFFFAOYSA-N -1 1 290.697 3.205 20 0 CGADMM O=C(Nc1ccc2ncccc2c1)c1ccccc1[O-] ZINC000048189725 391995081 /nfs/dbraw/zinc/99/50/81/391995081.db2.gz MIJGXYHZJSWURY-UHFFFAOYSA-N -1 1 264.284 3.193 20 0 CGADMM CCCCCc1nc(-c2ccc([O-])c(C(N)=O)c2)cs1 ZINC000049079182 392032978 /nfs/dbraw/zinc/03/29/78/392032978.db2.gz OCZFKCACIYRGLW-UHFFFAOYSA-N -1 1 290.388 3.347 20 0 CGADMM O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccccc1[O-] ZINC000055542322 392100551 /nfs/dbraw/zinc/10/05/51/392100551.db2.gz JRASPKJOUCQOHI-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245907647 131091054 /nfs/dbraw/zinc/09/10/54/131091054.db2.gz BMRJEZHQEHOTLP-IWIIMEHWSA-N -1 1 265.740 3.420 20 0 CGADMM Cc1noc(C)c1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000263873880 131351268 /nfs/dbraw/zinc/35/12/68/131351268.db2.gz OFHGQNNNWCTWJT-UHFFFAOYSA-N -1 1 274.320 3.373 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H](C)C(F)(F)F)n1 ZINC000461435755 542697249 /nfs/dbraw/zinc/69/72/49/542697249.db2.gz ZNAXFJFXIPLNEI-ZCFIWIBFSA-N -1 1 266.288 3.178 20 0 CGADMM CCC[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000263949991 131367389 /nfs/dbraw/zinc/36/73/89/131367389.db2.gz YIMNXSXLRNUCQQ-NSHDSACASA-N -1 1 259.271 3.076 20 0 CGADMM CC1(C)[C@@H]2CN(C(=O)c3cc4ccccc4cc3[O-])C[C@@H]21 ZINC000174025289 392632957 /nfs/dbraw/zinc/63/29/57/392632957.db2.gz HBQJSRCGEZGAHY-GASCZTMLSA-N -1 1 281.355 3.273 20 0 CGADMM O=C([O-])[C@@H]1CCCCN1Cc1cc2cc(F)ccc2o1 ZINC000334580533 392740834 /nfs/dbraw/zinc/74/08/34/392740834.db2.gz PRWNKCSLBFVQNP-ZDUSSCGKSA-N -1 1 277.295 3.011 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CC23CC3)c1 ZINC000335173339 392781206 /nfs/dbraw/zinc/78/12/06/392781206.db2.gz MNCJGASYALLQIT-MRVPVSSYSA-N -1 1 296.164 3.202 20 0 CGADMM CCc1ccc([C@H](C)CC(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000647815601 392808141 /nfs/dbraw/zinc/80/81/41/392808141.db2.gz DHIMHTLWBXOJGQ-SNVBAGLBSA-N -1 1 287.363 3.118 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)CCCc1ccccc1 ZINC000647816479 392808906 /nfs/dbraw/zinc/80/89/06/392808906.db2.gz KFCBXHIJCJTQPZ-LLVKDONJSA-N -1 1 287.363 3.021 20 0 CGADMM O=C(Nc1ccc2scnc2c1)c1ccccc1[O-] ZINC000195386665 392965764 /nfs/dbraw/zinc/96/57/64/392965764.db2.gz OGWGDMBMBDLFFQ-UHFFFAOYSA-N -1 1 270.313 3.254 20 0 CGADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(F)cc1[O-] ZINC000467993485 393116310 /nfs/dbraw/zinc/11/63/10/393116310.db2.gz INHOBRIAHCFVII-ABAIWWIYSA-N -1 1 295.354 3.455 20 0 CGADMM Cc1ccc(CN(C)Cc2cccc([O-])c2Cl)nc1 ZINC000646172795 393237350 /nfs/dbraw/zinc/23/73/50/393237350.db2.gz PKBSCZBPBFRUOU-UHFFFAOYSA-N -1 1 276.767 3.381 20 0 CGADMM Cc1cc(Cl)cnc1NCc1cccc([O-])c1Cl ZINC000646206043 393240984 /nfs/dbraw/zinc/24/09/84/393240984.db2.gz VKUYQMOWSHIERV-UHFFFAOYSA-N -1 1 283.158 3.436 20 0 CGADMM CC(C)(C)C(=O)CCCC(=O)Nc1c([O-])cccc1F ZINC000648940454 393295814 /nfs/dbraw/zinc/29/58/14/393295814.db2.gz ACWBUNWCLPLUDK-UHFFFAOYSA-N -1 1 281.327 3.255 20 0 CGADMM CCS(=O)(=O)[N-]c1cc(-c2ccc(C)o2)ccc1OC ZINC000649441041 393432500 /nfs/dbraw/zinc/43/25/00/393432500.db2.gz OLMAJVGBRCQLJS-UHFFFAOYSA-N -1 1 295.360 3.025 20 0 CGADMM CCc1ccc(CCSc2nc(C(=O)OC)c[n-]2)cc1 ZINC000432662942 393625885 /nfs/dbraw/zinc/62/58/85/393625885.db2.gz CCXGSEKRZPUTPJ-UHFFFAOYSA-N -1 1 290.388 3.094 20 0 CGADMM COC(=O)c1c[n-]c(SCCCCc2ccccc2)n1 ZINC000432665120 393626110 /nfs/dbraw/zinc/62/61/10/393626110.db2.gz OTECHYWJKGUKAO-UHFFFAOYSA-N -1 1 290.388 3.311 20 0 CGADMM CCc1ccccc1CCSc1nc(C(=O)OC)c[n-]1 ZINC000432652128 393626224 /nfs/dbraw/zinc/62/62/24/393626224.db2.gz ATSHQRQCAZVFGY-UHFFFAOYSA-N -1 1 290.388 3.094 20 0 CGADMM Cc1nc(-c2ccc(NC[C@H]3CC3(C)C)nc2)[n-]c(=O)c1C ZINC000361025102 393648536 /nfs/dbraw/zinc/64/85/36/393648536.db2.gz JDIJIGZHEJQDPZ-CYBMUJFWSA-N -1 1 298.390 3.319 20 0 CGADMM CC(C)[C@H](CC(F)(F)F)NC(=O)c1c([O-])cccc1F ZINC000438609237 393728017 /nfs/dbraw/zinc/72/80/17/393728017.db2.gz HVFRDJVRBPHLQA-VIFPVBQESA-N -1 1 293.260 3.238 20 0 CGADMM Oc1ccc(F)c(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1F ZINC000449532148 393885379 /nfs/dbraw/zinc/88/53/79/393885379.db2.gz CTCHMIIKYDIGEE-BDJLRTHQSA-N -1 1 279.330 3.291 20 0 CGADMM Cc1noc(C)c1N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000673903626 543258623 /nfs/dbraw/zinc/25/86/23/543258623.db2.gz WLGDVAKTPYQUJQ-UHFFFAOYSA-N -1 1 296.326 3.427 20 0 CGADMM CCc1c(C)[n-]n(Cc2ccc(Br)cc2)c1=O ZINC000109363030 397653480 /nfs/dbraw/zinc/65/34/80/397653480.db2.gz VIQIZFYZHBJUJC-LBPRGKRZSA-N -1 1 295.180 3.193 20 0 CGADMM C[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C1CCC1 ZINC000649870381 397741486 /nfs/dbraw/zinc/74/14/86/397741486.db2.gz HDYXNBADWPRCSJ-SECBINFHSA-N -1 1 297.351 3.039 20 0 CGADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000675415225 543338291 /nfs/dbraw/zinc/33/82/91/543338291.db2.gz BMZPTQGGYLNHRH-STQMWFEESA-N -1 1 299.370 3.090 20 0 CGADMM CCC(CC)n1ccc(C(=O)Nc2c([O-])cccc2F)n1 ZINC000676339296 543393380 /nfs/dbraw/zinc/39/33/80/543393380.db2.gz DDRYVGPQFZGHRU-UHFFFAOYSA-N -1 1 291.326 3.341 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H]1c1cccc(F)c1 ZINC000678314163 543514143 /nfs/dbraw/zinc/51/41/43/543514143.db2.gz RXZMECXLCJBDCA-CQSZACIVSA-N -1 1 289.281 3.258 20 0 CGADMM COc1cc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000416321010 286199849 /nfs/dbraw/zinc/19/98/49/286199849.db2.gz QFMUMUPVWORYCU-GUBZILKMSA-N -1 1 297.782 3.171 20 0 CGADMM Cc1ccc2c(c1)CN(C(=O)c1cncc([O-])c1)C(C)(C)C2 ZINC000358873115 292325360 /nfs/dbraw/zinc/32/53/60/292325360.db2.gz SGTMANWBNXZSGU-UHFFFAOYSA-N -1 1 296.370 3.073 20 0 CGADMM O=C(CCc1cccnc1)Nc1ccc([O-])c(Cl)c1 ZINC000082192868 287078012 /nfs/dbraw/zinc/07/80/12/287078012.db2.gz JBPHNCFMTWNUBX-UHFFFAOYSA-N -1 1 276.723 3.012 20 0 CGADMM C[C@H](c1c(F)cccc1F)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757517 287083963 /nfs/dbraw/zinc/08/39/63/287083963.db2.gz RVUGWNQHTOJTSK-GHMZBOCLSA-N -1 1 283.318 3.213 20 0 CGADMM O=C([O-])CCN(Cc1ccccc1)Cc1ccccc1F ZINC000071736670 165067273 /nfs/dbraw/zinc/06/72/73/165067273.db2.gz IFUKUSKESGRUNS-UHFFFAOYSA-N -1 1 287.334 3.303 20 0 CGADMM CCCCN(C(=O)c1cncc([O-])c1)c1ccccc1 ZINC000081581922 165165847 /nfs/dbraw/zinc/16/58/47/165165847.db2.gz IWEVFLAXGQOPNW-UHFFFAOYSA-N -1 1 270.332 3.234 20 0 CGADMM Cc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000082192840 165168044 /nfs/dbraw/zinc/16/80/44/165168044.db2.gz UMEJOYMMIPSWEF-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1Cc2ccccc21 ZINC000090984988 165249601 /nfs/dbraw/zinc/24/96/01/165249601.db2.gz DYLOOUWSDSNXDP-LBPRGKRZSA-N -1 1 273.719 3.324 20 0 CGADMM CC1(CNC(=O)c2ccc(Cl)cc2[O-])CCCC1 ZINC000111617395 287135291 /nfs/dbraw/zinc/13/52/91/287135291.db2.gz YKKBIRZZDCMPQZ-UHFFFAOYSA-N -1 1 267.756 3.356 20 0 CGADMM CCOc1cc(C)ccc1NC(=O)c1ccccc1[O-] ZINC000121574591 287200149 /nfs/dbraw/zinc/20/01/49/287200149.db2.gz BBFGKHLVIQLZJL-UHFFFAOYSA-N -1 1 271.316 3.352 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000123572233 287221854 /nfs/dbraw/zinc/22/18/54/287221854.db2.gz WSRZBIXBUCWASU-SNVBAGLBSA-N -1 1 259.280 3.022 20 0 CGADMM O=C(NC1(c2ccccc2F)CC1)c1c([O-])cccc1F ZINC000125391980 287244000 /nfs/dbraw/zinc/24/40/00/287244000.db2.gz APXTZNIXFCRSKA-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM CCC[C@@H](C)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000035239219 172077501 /nfs/dbraw/zinc/07/75/01/172077501.db2.gz DFTLTMMSCLVBOZ-SECBINFHSA-N -1 1 255.745 3.306 20 0 CGADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])c(C)c1 ZINC000128589739 287314034 /nfs/dbraw/zinc/31/40/34/287314034.db2.gz HQCBKZROFBRTPS-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CCN(C(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000128596287 287314359 /nfs/dbraw/zinc/31/43/59/287314359.db2.gz BARDFAYZXZOVCB-UHFFFAOYSA-N -1 1 259.280 3.198 20 0 CGADMM CC[C@@H]1CN(Cc2cccc([O-])c2Cl)[C@@H](CC)CO1 ZINC000403847711 416550232 /nfs/dbraw/zinc/55/02/32/416550232.db2.gz RDBFZYLUXVNDBY-QWHCGFSZSA-N -1 1 283.799 3.435 20 0 CGADMM CC[C@H](CNC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000681015667 543756545 /nfs/dbraw/zinc/75/65/45/543756545.db2.gz JOSWUDJUBXIILV-GFCCVEGCSA-N -1 1 287.334 3.455 20 0 CGADMM O=C(NCCc1ccc(Cl)s1)c1ccc([O-])c(F)c1 ZINC000681019310 543757430 /nfs/dbraw/zinc/75/74/30/543757430.db2.gz NOHOJIXWPSZHNQ-UHFFFAOYSA-N -1 1 299.754 3.219 20 0 CGADMM CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([O-])c(F)c1 ZINC000681016975 543757534 /nfs/dbraw/zinc/75/75/34/543757534.db2.gz RVOGVMPKBYTZGQ-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681018153 543757608 /nfs/dbraw/zinc/75/76/08/543757608.db2.gz KELLNEGAZWYOAO-MFKMUULPSA-N -1 1 265.328 3.230 20 0 CGADMM CCC(CC)CN(CC)C(=O)c1ccc([O-])c(F)c1 ZINC000681017918 543757867 /nfs/dbraw/zinc/75/78/67/543757867.db2.gz OZOXRMGJEMDYHU-UHFFFAOYSA-N -1 1 267.344 3.430 20 0 CGADMM C[C@@H]1CC(NC(=O)c2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000681048478 543760227 /nfs/dbraw/zinc/76/02/27/543760227.db2.gz HVPUKUWUCSONHH-UWVGGRQHSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1ccc([O-])c(F)c1 ZINC000681044172 543760412 /nfs/dbraw/zinc/76/04/12/543760412.db2.gz WQRBKOJGSAOPAT-AWEZNQCLSA-N -1 1 289.281 3.088 20 0 CGADMM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccc([O-])c(F)c1 ZINC000681050698 543761350 /nfs/dbraw/zinc/76/13/50/543761350.db2.gz KKWRDNAJAXBYFG-JSGCOSHPSA-N -1 1 277.339 3.230 20 0 CGADMM C[C@H]1Cc2ccccc2CN1C(=O)c1ccc([O-])c(F)c1 ZINC000681051300 543761623 /nfs/dbraw/zinc/76/16/23/543761623.db2.gz ZBNUKDQUJOSJOG-NSHDSACASA-N -1 1 285.318 3.118 20 0 CGADMM O=C(Nc1c([O-])cccc1F)C(=O)c1ccc(Cl)s1 ZINC000683248504 543906137 /nfs/dbraw/zinc/90/61/37/543906137.db2.gz GDEGCJFZSQMTIF-UHFFFAOYSA-N -1 1 299.710 3.068 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1coc(C2CCC2)n1 ZINC000683496085 543918493 /nfs/dbraw/zinc/91/84/93/543918493.db2.gz ZFDFUYBFTKLMIA-UHFFFAOYSA-N -1 1 276.267 3.039 20 0 CGADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nccs1 ZINC000683629890 543930240 /nfs/dbraw/zinc/93/02/40/543930240.db2.gz AYYMBMAITKEHDZ-UHFFFAOYSA-N -1 1 285.328 3.359 20 0 CGADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@H]1CCC(C)(C)C1 ZINC000684513631 544010087 /nfs/dbraw/zinc/01/00/87/544010087.db2.gz QZZZUHSRYSUZFS-NSHDSACASA-N -1 1 265.328 3.182 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1Cc2ccc(F)cc21 ZINC000684464842 544005179 /nfs/dbraw/zinc/00/51/79/544005179.db2.gz CIGFEBJKIWNFAK-LBPRGKRZSA-N -1 1 291.709 3.463 20 0 CGADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2c([O-])cccc2F)C1 ZINC000684469507 544005931 /nfs/dbraw/zinc/00/59/31/544005931.db2.gz BEGIKDCQFIWINN-GHMZBOCLSA-N -1 1 281.327 3.065 20 0 CGADMM O=C(NC(C1CC1)C1CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871088 544035078 /nfs/dbraw/zinc/03/50/78/544035078.db2.gz STYZMAKBBFPPGU-UHFFFAOYSA-N -1 1 299.292 3.329 20 0 CGADMM CCC(CC)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868852 544035206 /nfs/dbraw/zinc/03/52/06/544035206.db2.gz HPKRKFBLGWMZGH-UHFFFAOYSA-N -1 1 275.270 3.329 20 0 CGADMM CCc1cccc(NC(=O)c2n[nH]c3c2cccc3OC)c1 ZINC000685188126 544054925 /nfs/dbraw/zinc/05/49/25/544054925.db2.gz AXLQTWQZZYRSHN-UHFFFAOYSA-N -1 1 295.342 3.386 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc([C@H]2Cc3ccccc32)no1 ZINC000132989640 287414681 /nfs/dbraw/zinc/41/46/81/287414681.db2.gz ZTQGAXFYFGLFBD-LBPRGKRZSA-N -1 1 282.274 3.269 20 0 CGADMM C[C@@H]1Cc2ccccc2N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000132894024 287412872 /nfs/dbraw/zinc/41/28/72/287412872.db2.gz TUMDNAWCCDFPAG-LLVKDONJSA-N -1 1 285.318 3.370 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCc2ccsc2C1 ZINC000134048026 287434598 /nfs/dbraw/zinc/43/45/98/287434598.db2.gz IRRYVHQYBLLBJG-UHFFFAOYSA-N -1 1 293.775 3.306 20 0 CGADMM O=C(CCc1ccccc1O)Nc1ccc([O-])c(Cl)c1 ZINC000135906283 287476778 /nfs/dbraw/zinc/47/67/78/287476778.db2.gz IBGGHRQAGZWMGD-UHFFFAOYSA-N -1 1 291.734 3.323 20 0 CGADMM CC(C)c1noc([N-][C@H](c2ccccc2)[C@H](O)C(C)C)n1 ZINC000664531540 418973027 /nfs/dbraw/zinc/97/30/27/418973027.db2.gz MYGYSPUUJNODET-ZIAGYGMSSA-N -1 1 289.379 3.363 20 0 CGADMM C[C@H](CN(Cc1c(F)cccc1Cl)C1CC1)C(=O)[O-] ZINC000652489450 418974132 /nfs/dbraw/zinc/97/41/32/418974132.db2.gz QFFSWFWYHPJLDX-SECBINFHSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@H](CN(Cc1nc(C(C)(C)C)cs1)C1CC1)C(=O)[O-] ZINC000652488780 418975063 /nfs/dbraw/zinc/97/50/63/418975063.db2.gz LEWJANWGWFDVTA-SNVBAGLBSA-N -1 1 296.436 3.126 20 0 CGADMM CCO[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000652394939 418962028 /nfs/dbraw/zinc/96/20/28/418962028.db2.gz PFWKOHRXTXFEDC-ZDUSSCGKSA-N -1 1 297.782 3.039 20 0 CGADMM CC[C@@H]1CCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000665070620 419048578 /nfs/dbraw/zinc/04/85/78/419048578.db2.gz LSALEYXCJXJFCP-CYBMUJFWSA-N -1 1 284.359 3.345 20 0 CGADMM Cc1cc(CCC(=O)[O-])ccc1-c1cc(C(F)(F)F)n[nH]1 ZINC000657203011 419230910 /nfs/dbraw/zinc/23/09/10/419230910.db2.gz HBBJZFOPVOJWRM-UHFFFAOYSA-N -1 1 298.264 3.421 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000657256545 419237716 /nfs/dbraw/zinc/23/77/16/419237716.db2.gz GFTCFTPBBKXBGQ-OUAUKWLOSA-N -1 1 264.394 3.273 20 0 CGADMM CCc1nc(SCCCOC(C)(C)C)[n-]c(=O)c1C ZINC000657263822 419239710 /nfs/dbraw/zinc/23/97/10/419239710.db2.gz XHBQDZFHJUNPSE-UHFFFAOYSA-N -1 1 284.425 3.350 20 0 CGADMM C[C@H](NCc1cccc([O-])c1Cl)c1cscn1 ZINC000657600296 419313086 /nfs/dbraw/zinc/31/30/86/419313086.db2.gz MWZVXXSKPDIVEX-QMMMGPOBSA-N -1 1 268.769 3.353 20 0 CGADMM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(Cl)cc1[O-] ZINC000662032857 419325064 /nfs/dbraw/zinc/32/50/64/419325064.db2.gz ONPOOIUYCRPEKP-SECBINFHSA-N -1 1 267.756 3.449 20 0 CGADMM CC(C)c1nc(=N[C@@H]2CCC[C@@H](C(C)C)C2)o[n-]1 ZINC000524241819 260338589 /nfs/dbraw/zinc/33/85/89/260338589.db2.gz FPPLYLXEFUBCHI-VXGBXAGGSA-N -1 1 251.374 3.242 20 0 CGADMM CC(F)(F)CCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000390378843 262185604 /nfs/dbraw/zinc/18/56/04/262185604.db2.gz WIONJSDWBAUXSB-UHFFFAOYSA-N -1 1 277.698 3.211 20 0 CGADMM O=C(NC[C@H]1CCCCC1(F)F)c1cc(F)ccc1[O-] ZINC000391073327 262379544 /nfs/dbraw/zinc/37/95/44/262379544.db2.gz IVIYHTPBECCLOH-SECBINFHSA-N -1 1 287.281 3.087 20 0 CGADMM Cc1nn(C)c(NC(=O)c2cc3ccccc3cc2[O-])c1C ZINC000106717849 270049459 /nfs/dbraw/zinc/04/94/59/270049459.db2.gz OZLAUFXHHNHFPI-UHFFFAOYSA-N -1 1 295.342 3.148 20 0 CGADMM CCc1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000303321428 270092083 /nfs/dbraw/zinc/09/20/83/270092083.db2.gz VDSVQHOKCOYMSR-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM Cc1cnc(C(=O)N(C)C[C@H](C)C2CCCCC2)c([O-])c1 ZINC000530040807 270193715 /nfs/dbraw/zinc/19/37/15/270193715.db2.gz WKGAUTZZYQQWOG-ZDUSSCGKSA-N -1 1 290.407 3.384 20 0 CGADMM Cc1ccccc1CCC(=O)Nc1ccc(F)cc1[O-] ZINC000532267204 270214703 /nfs/dbraw/zinc/21/47/03/270214703.db2.gz QTFKZFLYQOYJLA-UHFFFAOYSA-N -1 1 273.307 3.411 20 0 CGADMM C[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3cc2[O-])C[C@H](C)O1 ZINC000245505461 287665836 /nfs/dbraw/zinc/66/58/36/287665836.db2.gz MEJIPARZVDAQML-JJLQDPRZSA-N -1 1 299.370 3.231 20 0 CGADMM CC(=O)c1cc(NC(=O)c2ccc([O-])cc2F)ccc1F ZINC000336469784 287953876 /nfs/dbraw/zinc/95/38/76/287953876.db2.gz UFXGOVGSZANTPP-UHFFFAOYSA-N -1 1 291.253 3.125 20 0 CGADMM C[C@H]1CSC[C@@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000397839771 288031960 /nfs/dbraw/zinc/03/19/60/288031960.db2.gz GGFOFIZQODHHFR-HZMBPMFUSA-N -1 1 287.384 3.027 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2c(F)ccc([O-])c2F)CC1(C)C ZINC000294116949 280060483 /nfs/dbraw/zinc/06/04/83/280060483.db2.gz ZBQPEJYHYCLWBR-ZDUSSCGKSA-N -1 1 283.318 3.177 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CCOC1 ZINC000529539790 288261132 /nfs/dbraw/zinc/26/11/32/288261132.db2.gz UIJIMIFYNPGFLA-VIFPVBQESA-N -1 1 291.734 3.174 20 0 CGADMM O=C(NCC[C@H]1CCCOC1)c1cc2ccccc2cc1[O-] ZINC000529603288 288270999 /nfs/dbraw/zinc/27/09/99/288270999.db2.gz VUCKAOACVHNFCH-CYBMUJFWSA-N -1 1 299.370 3.092 20 0 CGADMM CC[C@H](C)n1ncc(C(=O)Nc2cccc(F)c2[O-])c1C ZINC000530004196 288280835 /nfs/dbraw/zinc/28/08/35/288280835.db2.gz CUMANHLPMGBQBN-VIFPVBQESA-N -1 1 291.326 3.260 20 0 CGADMM Cc1ccc(C(=O)Nc2cccc(F)c2[O-])c(C2CC2)n1 ZINC000530006523 288281979 /nfs/dbraw/zinc/28/19/79/288281979.db2.gz UIDUMONZYFFYFE-UHFFFAOYSA-N -1 1 286.306 3.364 20 0 CGADMM C[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530006419 288282029 /nfs/dbraw/zinc/28/20/29/288282029.db2.gz RSNNPXWPYGLZHL-ZJUUUORDSA-N -1 1 251.301 3.296 20 0 CGADMM CC[C@H]1Cc2ccccc2CN1C(=O)c1ncc(C)cc1[O-] ZINC000332557195 288354233 /nfs/dbraw/zinc/35/42/33/288354233.db2.gz UIHOAPIFQNNKMO-HNNXBMFYSA-N -1 1 296.370 3.073 20 0 CGADMM O=C(COc1cccc(C(F)(F)F)n1)c1ccc([O-])cc1 ZINC000537426973 288529673 /nfs/dbraw/zinc/52/96/73/288529673.db2.gz KKJPCPQXABEOHR-UHFFFAOYSA-N -1 1 297.232 3.068 20 0 CGADMM O=c1cc(C(F)(F)F)nc(SCCC2CC2)[n-]1 ZINC000547820953 288978587 /nfs/dbraw/zinc/97/85/87/288978587.db2.gz JVICAWIFFABIKR-UHFFFAOYSA-N -1 1 264.272 3.093 20 0 CGADMM FC(F)(F)c1nc(=N[C@H]2C[C@@H]2C2CCCCC2)s[n-]1 ZINC000553077413 289207431 /nfs/dbraw/zinc/20/74/31/289207431.db2.gz JVDNLFBJIDFRTI-BDAKNGLRSA-N -1 1 291.342 3.360 20 0 CGADMM Cc1nc(-c2ccc(NC[C@@H]3CC34CC4)nc2)[n-]c(=O)c1C ZINC000557245265 289435377 /nfs/dbraw/zinc/43/53/77/289435377.db2.gz AZQACIQYXBQBOO-ZDUSSCGKSA-N -1 1 296.374 3.073 20 0 CGADMM C[C@H]1CC[C@]2(CCN(C(=O)c3c(F)ccc([O-])c3F)C2)C1 ZINC000377825551 300078225 /nfs/dbraw/zinc/07/82/25/300078225.db2.gz CRIHHZLNSAZGHO-QFYYESIMSA-N -1 1 295.329 3.323 20 0 CGADMM Cc1oc(CN(Cc2ccco2)C(C)C)cc1C(=O)[O-] ZINC000563541712 322002335 /nfs/dbraw/zinc/00/23/35/322002335.db2.gz ANZXEXDHIZTTMN-UHFFFAOYSA-N -1 1 277.320 3.290 20 0 CGADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1sc(C)nc1C ZINC000563673010 322006369 /nfs/dbraw/zinc/00/63/69/322006369.db2.gz WKOYFSMCOSJHNN-SNVBAGLBSA-N -1 1 276.427 3.080 20 0 CGADMM O=C([O-])[C@@H](c1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000564575703 322034979 /nfs/dbraw/zinc/03/49/79/322034979.db2.gz GRWKENBTUNGVAW-DZGCQCFKSA-N -1 1 271.316 3.242 20 0 CGADMM O=C([O-])c1coc(CN2CCC[C@H]2c2cccs2)c1 ZINC000565102162 322059800 /nfs/dbraw/zinc/05/98/00/322059800.db2.gz DRNCPVBYVZLSML-LBPRGKRZSA-N -1 1 277.345 3.376 20 0 CGADMM Cc1cccc([C@H](NCc2ncccc2[O-])C(F)(F)F)c1 ZINC000568167592 322196109 /nfs/dbraw/zinc/19/61/09/322196109.db2.gz JKASAAJQBLDFJR-AWEZNQCLSA-N -1 1 296.292 3.489 20 0 CGADMM CC1(C2([N-]S(=O)(=O)c3cc4ccccc4o3)CC2)CC1 ZINC000569075819 322233963 /nfs/dbraw/zinc/23/39/63/322233963.db2.gz JAWIWMRWOVTPRJ-UHFFFAOYSA-N -1 1 291.372 3.044 20 0 CGADMM O=C([O-])c1ccoc1CN(Cc1cccc(F)c1)C1CC1 ZINC000570975315 322287079 /nfs/dbraw/zinc/28/70/79/322287079.db2.gz DIBWGXXOYGSBLB-UHFFFAOYSA-N -1 1 289.306 3.282 20 0 CGADMM CCc1nc(S[C@@H]2CCCC(C)(C)C2=O)[n-]c(=O)c1C ZINC000572781888 322354831 /nfs/dbraw/zinc/35/48/31/322354831.db2.gz BAFWIPSWAWCMEX-LLVKDONJSA-N -1 1 294.420 3.293 20 0 CGADMM Cc1ccsc1CN(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000394903805 329187593 /nfs/dbraw/zinc/18/75/93/329187593.db2.gz QQEBIDKFIGADPC-UHFFFAOYSA-N -1 1 279.361 3.288 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1F)c1ccc([O-])cc1F ZINC000232385640 333336139 /nfs/dbraw/zinc/33/61/39/333336139.db2.gz BQFXPAHKBOKVDP-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM CCCCN(CCOC)Cc1cc(C(=O)[O-])ccc1Cl ZINC000581197027 336023059 /nfs/dbraw/zinc/02/30/59/336023059.db2.gz UEIBSKMPCAQUGJ-UHFFFAOYSA-N -1 1 299.798 3.287 20 0 CGADMM C[C@H](c1ccncc1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000194635930 336035196 /nfs/dbraw/zinc/03/51/96/336035196.db2.gz XJFFAROAORQYCM-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc(F)cc2C)n1 ZINC000195063152 336044125 /nfs/dbraw/zinc/04/41/25/336044125.db2.gz SNCQZZJYFQUWKR-UHFFFAOYSA-N -1 1 278.352 3.072 20 0 CGADMM CC[C@H](N=c1nc([C@H](C)OC)[n-]s1)C1CCCC1 ZINC000382812110 336097355 /nfs/dbraw/zinc/09/73/55/336097355.db2.gz QFFGIHMZYOBNMQ-ONGXEEELSA-N -1 1 269.414 3.048 20 0 CGADMM CO[C@@H](C)c1nc(=NCC(C)(C)C(C)(C)C)s[n-]1 ZINC000386480118 336175569 /nfs/dbraw/zinc/17/55/69/336175569.db2.gz IFTHHQVWKLVARG-VIFPVBQESA-N -1 1 271.430 3.152 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@H]2C[C@H]2c2ccccc2)n1 ZINC000359156242 534307456 /nfs/dbraw/zinc/30/74/56/534307456.db2.gz DHXAKKUADUDBGA-NEPJUHHUSA-N -1 1 288.372 3.092 20 0 CGADMM CCOC[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000081467754 520128170 /nfs/dbraw/zinc/12/81/70/520128170.db2.gz UOHBLRVFGOPRHE-CYBMUJFWSA-N -1 1 299.370 3.044 20 0 CGADMM O=C([O-])[C@@H](NCc1ccc(F)cc1Cl)c1ccsc1 ZINC000426817830 534515291 /nfs/dbraw/zinc/51/52/91/534515291.db2.gz QHIHGBZSIZEGBY-LBPRGKRZSA-N -1 1 299.754 3.456 20 0 CGADMM Cc1cccc(C)c1CCNC(=O)c1c([O-])cccc1F ZINC000436986132 534663328 /nfs/dbraw/zinc/66/33/28/534663328.db2.gz FICYMJQWPXMYAF-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM CN1C(=O)c2ccccc2N[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000049394833 523737464 /nfs/dbraw/zinc/73/74/64/523737464.db2.gz DBGYASZZHFLTRL-AWEZNQCLSA-N -1 1 288.734 3.242 20 0 CGADMM CN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCc2ccccc2C1 ZINC000094149845 523921952 /nfs/dbraw/zinc/92/19/52/523921952.db2.gz FFHQWXMDJCOYBF-OAHLLOKOSA-N -1 1 299.345 3.161 20 0 CGADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccnc2C)c(C)c1 ZINC000080773209 524327579 /nfs/dbraw/zinc/32/75/79/524327579.db2.gz IMQDIJYRYYNUFK-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM C[C@@H](c1cc(Cl)ccc1Cl)N1CC[C@H](C(=O)[O-])C1 ZINC000086790089 526029133 /nfs/dbraw/zinc/02/91/33/526029133.db2.gz JWPNUVWJDXVWIL-IUCAKERBSA-N -1 1 288.174 3.461 20 0 CGADMM CC(C)(C)C[C@H]1CCN(C(=O)c2cncc([O-])c2)C1(C)C ZINC000412835565 526271424 /nfs/dbraw/zinc/27/14/24/526271424.db2.gz ZMTPOACGQMLKJF-CYBMUJFWSA-N -1 1 290.407 3.464 20 0 CGADMM CC(C)(C)c1cc(CN2CCCC[C@@H]2CCC(=O)[O-])no1 ZINC000424262097 526753040 /nfs/dbraw/zinc/75/30/40/526753040.db2.gz PZWNIEVZZIFIDP-CYBMUJFWSA-N -1 1 294.395 3.191 20 0 CGADMM CC1(NC(=O)c2ccc3ccccc3c2[O-])CCC1 ZINC000162949792 528031264 /nfs/dbraw/zinc/03/12/64/528031264.db2.gz VMYJASMHMSKRDQ-UHFFFAOYSA-N -1 1 255.317 3.218 20 0 CGADMM CCCCCN(CCCOC)C(=O)c1ccc([O-])cc1F ZINC000163823910 528169916 /nfs/dbraw/zinc/16/99/16/528169916.db2.gz HSZIREZRKKFCCR-UHFFFAOYSA-N -1 1 297.370 3.200 20 0 CGADMM CCN(Cc1ccc(Cl)cc1)C(=O)c1ncccc1[O-] ZINC000426431516 528783382 /nfs/dbraw/zinc/78/33/82/528783382.db2.gz DQIIBFKMFOJXRB-UHFFFAOYSA-N -1 1 290.750 3.103 20 0 CGADMM CCCC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C1CCC1 ZINC000436944631 528836754 /nfs/dbraw/zinc/83/67/54/528836754.db2.gz QWFWIOOGJAXHQL-OAHLLOKOSA-N -1 1 289.375 3.050 20 0 CGADMM CC1(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CCC1 ZINC000451293497 535156616 /nfs/dbraw/zinc/15/66/16/535156616.db2.gz VPTVHYDVBGNLCV-UHFFFAOYSA-N -1 1 297.351 3.040 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCCC2(F)F)n1 ZINC000450914728 536154590 /nfs/dbraw/zinc/15/45/90/536154590.db2.gz XQADSZHKCMXWHL-QMMMGPOBSA-N -1 1 274.336 3.272 20 0 CGADMM CCC(CC)CNC(=O)c1c([O-])cccc1Cl ZINC000729539061 571924352 /nfs/dbraw/zinc/92/43/52/571924352.db2.gz DAZFSWXAEVNPLJ-UHFFFAOYSA-N -1 1 255.745 3.212 20 0 CGADMM C[C@@H](NC(=O)c1ncccc1[O-])c1csc2ccccc21 ZINC000730035023 571943491 /nfs/dbraw/zinc/94/34/91/571943491.db2.gz GHUBQGALYKQQEH-SNVBAGLBSA-N -1 1 298.367 3.493 20 0 CGADMM Cc1cc(CN(C)[C@H](C)c2cccc(O)c2)oc1C(=O)[O-] ZINC000738378220 572373516 /nfs/dbraw/zinc/37/35/16/572373516.db2.gz CGKMEFXVZNCNIV-LLVKDONJSA-N -1 1 289.331 3.185 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)c2c([O-])cccc2Cl)CC1 ZINC000731054320 572392350 /nfs/dbraw/zinc/39/23/50/572392350.db2.gz ATZMLYHJQVYVSU-MGCOHNPYSA-N -1 1 267.756 3.354 20 0 CGADMM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1cncc([O-])c1 ZINC000732277521 572457331 /nfs/dbraw/zinc/45/73/31/572457331.db2.gz JNEHTXDLQRIJEU-SWLSCSKDSA-N -1 1 290.407 3.370 20 0 CGADMM Cc1noc(C)c1[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000733806995 572605293 /nfs/dbraw/zinc/60/52/93/572605293.db2.gz PPDAMTORSGWRBD-ZETCQYMHSA-N -1 1 294.738 3.141 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)CC(C)(C)C)c1 ZINC000744484623 572757325 /nfs/dbraw/zinc/75/73/25/572757325.db2.gz JTCSWONAGTWZLP-UHFFFAOYSA-N -1 1 278.348 3.117 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CC=CCC2)c1 ZINC000744530628 572761359 /nfs/dbraw/zinc/76/13/59/572761359.db2.gz FJRHYAATJUTQDN-CYBMUJFWSA-N -1 1 288.343 3.037 20 0 CGADMM CCC/C=C/C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744771160 572774658 /nfs/dbraw/zinc/77/46/58/572774658.db2.gz FPLUQCPTQAXZNP-AATRIKPKSA-N -1 1 276.332 3.037 20 0 CGADMM C[C@@]1([N-]C(=O)C(F)(F)C(F)F)CCCc2ccccc21 ZINC000749366670 572994354 /nfs/dbraw/zinc/99/43/54/572994354.db2.gz GVJSFMTWHFYDET-CYBMUJFWSA-N -1 1 289.272 3.255 20 0 CGADMM O=C([O-])c1ccc(CN[C@@H]2CSc3ccccc32)cc1 ZINC000819676057 597245436 /nfs/dbraw/zinc/24/54/36/597245436.db2.gz GBOTZDNXFUAHNP-CQSZACIVSA-N -1 1 285.368 3.321 20 0 CGADMM Cc1cccc(F)c1CNCc1cccc(C(=O)[O-])c1 ZINC000821112374 598204147 /nfs/dbraw/zinc/20/41/47/598204147.db2.gz WMXRHYRHWSUJPN-UHFFFAOYSA-N -1 1 273.307 3.122 20 0 CGADMM C[C@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820698147 599528164 /nfs/dbraw/zinc/52/81/64/599528164.db2.gz QJJYFGOTOQVODO-CMPLNLGQSA-N -1 1 294.362 3.015 20 0 CGADMM C[C@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820698147 599528166 /nfs/dbraw/zinc/52/81/66/599528166.db2.gz QJJYFGOTOQVODO-CMPLNLGQSA-N -1 1 294.362 3.015 20 0 CGADMM C/C(=C\CN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1)C(=O)[O-] ZINC000825730310 601050229 /nfs/dbraw/zinc/05/02/29/601050229.db2.gz UKKJAQRJMFWNAX-QBSXNGMFSA-N -1 1 289.375 3.398 20 0 CGADMM CC(C)(C)c1n[nH]c(SCc2ccc(C(=O)[O-])s2)n1 ZINC000713471678 601844903 /nfs/dbraw/zinc/84/49/03/601844903.db2.gz AOXVVXJKGRSYBD-UHFFFAOYSA-N -1 1 297.405 3.154 20 0 CGADMM CC(C)(C)c1nc(SCc2ccc(C(=O)[O-])s2)n[nH]1 ZINC000713471678 601844905 /nfs/dbraw/zinc/84/49/05/601844905.db2.gz AOXVVXJKGRSYBD-UHFFFAOYSA-N -1 1 297.405 3.154 20 0 CGADMM O=C([O-])c1sc2ccccc2c1CSc1cn[nH]n1 ZINC000833347773 601897142 /nfs/dbraw/zinc/89/71/42/601897142.db2.gz SGPQSRUVBVGVIP-UHFFFAOYSA-N -1 1 291.357 3.010 20 0 CGADMM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2ccccc2F)o1 ZINC000263419680 604528749 /nfs/dbraw/zinc/52/87/49/604528749.db2.gz OJRCPNCTJOXMBQ-CQSZACIVSA-N -1 1 289.306 3.135 20 0 CGADMM O=C([O-])c1cc(CN2CCCC[C@@H]2c2ccco2)c[nH]1 ZINC000833780315 604643001 /nfs/dbraw/zinc/64/30/01/604643001.db2.gz UVRXGBWCISPQNY-CYBMUJFWSA-N -1 1 274.320 3.033 20 0 CGADMM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1ccoc1 ZINC000834262935 605586602 /nfs/dbraw/zinc/58/66/02/605586602.db2.gz NZNXTKHGJVLACI-CQSZACIVSA-N -1 1 272.304 3.147 20 0 CGADMM C(=Cc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)s1 ZINC000819709529 606387892 /nfs/dbraw/zinc/38/78/92/606387892.db2.gz IDIHEVFWEGHQMM-SOFGYWHQSA-N -1 1 295.327 3.240 20 0 CGADMM CCC1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000820961795 606427248 /nfs/dbraw/zinc/42/72/48/606427248.db2.gz CCSNEYCVEZSUGG-UHFFFAOYSA-N -1 1 294.362 3.017 20 0 CGADMM CCC1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000820961795 606427249 /nfs/dbraw/zinc/42/72/49/606427249.db2.gz CCSNEYCVEZSUGG-UHFFFAOYSA-N -1 1 294.362 3.017 20 0 CGADMM C[C@H](Cc1ccsc1)NC(=O)c1c([O-])cccc1Cl ZINC000049093900 618057748 /nfs/dbraw/zinc/05/77/48/618057748.db2.gz XTGDVCDGVYXKON-SECBINFHSA-N -1 1 295.791 3.468 20 0 CGADMM Cc1ccsc1CNC(=O)c1c([O-])cccc1Cl ZINC000049248068 618059738 /nfs/dbraw/zinc/05/97/38/618059738.db2.gz NABFDRIZPYHRHU-UHFFFAOYSA-N -1 1 281.764 3.346 20 0 CGADMM O=C(NC1CC2(CCC2)C1)c1c([O-])cccc1Cl ZINC000846607306 618099617 /nfs/dbraw/zinc/09/96/17/618099617.db2.gz HUHNHJRNOGAJMB-UHFFFAOYSA-N -1 1 265.740 3.108 20 0 CGADMM Cc1cc(CN[C@H](C)c2ccsc2)oc1C(=O)[O-] ZINC000235195753 618737393 /nfs/dbraw/zinc/73/73/93/618737393.db2.gz MGAFPHYYRREUIS-SECBINFHSA-N -1 1 265.334 3.199 20 0 CGADMM Cc1ccc(CN2CCSC[C@H]2CC(=O)[O-])cc1Cl ZINC000235884845 618831545 /nfs/dbraw/zinc/83/15/45/618831545.db2.gz JYJLZTSJKWWKOR-GFCCVEGCSA-N -1 1 299.823 3.041 20 0 CGADMM COC(=O)c1c[n-]c(SCCSc2ccccc2)n1 ZINC000193539930 619130238 /nfs/dbraw/zinc/13/02/38/619130238.db2.gz JXZLKDNABCFSLT-UHFFFAOYSA-N -1 1 294.401 3.081 20 0 CGADMM C/C(=C(/F)C(=O)Nc1ccc([O-])c(F)c1F)C1CC1 ZINC000909371177 619190212 /nfs/dbraw/zinc/19/02/12/619190212.db2.gz GGNIJFQZEJLXHT-POHAHGRESA-N -1 1 271.238 3.262 20 0 CGADMM CN(CC(C)(C)C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896094964 619949505 /nfs/dbraw/zinc/94/95/05/619949505.db2.gz QXOUHYDDBHKQGJ-UHFFFAOYSA-N -1 1 287.359 3.369 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@H]1C ZINC000896837554 620074800 /nfs/dbraw/zinc/07/48/00/620074800.db2.gz FOOYYNOGNSFIMR-MNOVXSKESA-N -1 1 285.343 3.122 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cccs1 ZINC000235526381 620302255 /nfs/dbraw/zinc/30/22/55/620302255.db2.gz YIHRMMCZUXJPQQ-QMMMGPOBSA-N -1 1 265.334 3.199 20 0 CGADMM COCc1c(C)cc(C)c(C=C2SC(=O)[N-]C2=O)c1C ZINC000901555720 620927053 /nfs/dbraw/zinc/92/70/53/620927053.db2.gz ZDXNKVIMYHUNNI-AWNIVKPZSA-N -1 1 291.372 3.082 20 0 CGADMM CC[C@H](C)C[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000901673370 620963893 /nfs/dbraw/zinc/96/38/93/620963893.db2.gz MLQQCBUHJLXVNQ-FZMZJTMJSA-N -1 1 275.348 3.412 20 0 CGADMM CCc1ccc(CN2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)s1 ZINC000901911746 621067856 /nfs/dbraw/zinc/06/78/56/621067856.db2.gz MZIODIMXCLQLKA-HNNXBMFYSA-N -1 1 297.395 3.089 20 0 CGADMM CCc1oc(CN(C)Cc2cccc(C)c2)cc1C(=O)[O-] ZINC000902106776 621138532 /nfs/dbraw/zinc/13/85/32/621138532.db2.gz FYKGJGNOIXAZAD-UHFFFAOYSA-N -1 1 287.359 3.481 20 0 CGADMM Cc1ccc2c(c1)CC[C@H]2NCc1ccc(C(=O)[O-])o1 ZINC000902174606 621185343 /nfs/dbraw/zinc/18/53/43/621185343.db2.gz PIOMGCLNICUGSF-CQSZACIVSA-N -1 1 271.316 3.063 20 0 CGADMM Cc1cccc2c1CC[C@@H]2NCc1cc(C(=O)[O-])co1 ZINC000902230576 621203513 /nfs/dbraw/zinc/20/35/13/621203513.db2.gz GTVSWBACTRTQIJ-HNNXBMFYSA-N -1 1 271.316 3.063 20 0 CGADMM Cc1oc(CNC(C)(C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000902285399 621227972 /nfs/dbraw/zinc/22/79/72/621227972.db2.gz FWIZQZKIKIEMOS-UHFFFAOYSA-N -1 1 291.322 3.450 20 0 CGADMM O=C([O-])c1csc(CNC2(c3cccc(F)c3)CC2)c1 ZINC000902294666 621231631 /nfs/dbraw/zinc/23/16/31/621231631.db2.gz IHAXIMCSTIRPSC-UHFFFAOYSA-N -1 1 291.347 3.364 20 0 CGADMM Cc1cc(CNc2ccc3c(c2)nc(C)n3C)oc1C(=O)[O-] ZINC000902326590 621263037 /nfs/dbraw/zinc/26/30/37/621263037.db2.gz HJUKSVWFGBJZEW-UHFFFAOYSA-N -1 1 299.330 3.093 20 0 CGADMM CC1(C)C[C@]1(NCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000902331270 621266858 /nfs/dbraw/zinc/26/68/58/621266858.db2.gz YPOPCMARVRBTPI-SFHVURJKSA-N -1 1 296.370 3.195 20 0 CGADMM CCc1oc(CN[C@@H](CC)CC(F)(F)F)cc1C(=O)[O-] ZINC000902336435 621271102 /nfs/dbraw/zinc/27/11/02/621271102.db2.gz HDZLVXURAVCILL-QMMMGPOBSA-N -1 1 293.285 3.361 20 0 CGADMM CC1(C)CCC[C@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)O1 ZINC000903609301 621771623 /nfs/dbraw/zinc/77/16/23/621771623.db2.gz YMGDMMYAWCVSLE-OAHLLOKOSA-N -1 1 289.375 3.048 20 0 CGADMM CC1(C)CCC[C@H](CN2Cc3ccc(C(=O)[O-])cc3C2)O1 ZINC000903609301 621771626 /nfs/dbraw/zinc/77/16/26/621771626.db2.gz YMGDMMYAWCVSLE-OAHLLOKOSA-N -1 1 289.375 3.048 20 0 CGADMM Cc1occc1CN(C)[C@H](CCc1ccccc1)C(=O)[O-] ZINC000903887762 621823191 /nfs/dbraw/zinc/82/31/91/621823191.db2.gz CYNOKMYKKHASKH-MRXNPFEDSA-N -1 1 287.359 3.106 20 0 CGADMM CSCC1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000903915502 621836365 /nfs/dbraw/zinc/83/63/65/621836365.db2.gz AAOULASJHQDTEY-UHFFFAOYSA-N -1 1 297.395 3.099 20 0 CGADMM Cc1cc(N2CCCCCC2)ccc1N[C@@H](C)C(=O)[O-] ZINC000904239448 621893717 /nfs/dbraw/zinc/89/37/17/621893717.db2.gz LBZOBNSJURARLO-ZDUSSCGKSA-N -1 1 276.380 3.260 20 0 CGADMM C[C@@H]1CC=CC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000908333610 622342279 /nfs/dbraw/zinc/34/22/79/622342279.db2.gz QTGUGMKTFDNSQE-PSASIEDQSA-N -1 1 291.825 3.035 20 0 CGADMM CCCCSCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909974578 622440431 /nfs/dbraw/zinc/44/04/31/622440431.db2.gz KTMSDEGLYIHUID-UHFFFAOYSA-N -1 1 275.320 3.142 20 0 CGADMM CC(C)CCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909987535 622442885 /nfs/dbraw/zinc/44/28/85/622442885.db2.gz XTXDTLSNHKOVLI-UHFFFAOYSA-N -1 1 257.280 3.435 20 0 CGADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909986230 622443006 /nfs/dbraw/zinc/44/30/06/622443006.db2.gz DHQQGXWRSNYINL-ZJUUUORDSA-N -1 1 299.317 3.204 20 0 CGADMM CC(C)(C(=O)Nc1cc([O-])c(F)cc1F)C1CCOCC1 ZINC000909986145 622443820 /nfs/dbraw/zinc/44/38/20/622443820.db2.gz AZLJKNKEPNOGFQ-UHFFFAOYSA-N -1 1 299.317 3.062 20 0 CGADMM CC(C)(C(=O)Nc1cc([O-])c(F)cc1F)C1CCC1 ZINC000909987737 622444293 /nfs/dbraw/zinc/44/42/93/622444293.db2.gz DZGXPJNCMQGGFN-UHFFFAOYSA-N -1 1 269.291 3.435 20 0 CGADMM CO[C@H](C(=O)Nc1cc([O-])c(F)cc1F)C1CCCCC1 ZINC000909988549 622446106 /nfs/dbraw/zinc/44/61/06/622446106.db2.gz PMEINDJMODDORQ-AWEZNQCLSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(C=C1CCSCC1)Nc1cc(F)cc(F)c1[O-] ZINC000910982172 622512556 /nfs/dbraw/zinc/51/25/56/622512556.db2.gz IUCADOVDZDKROZ-UHFFFAOYSA-N -1 1 285.315 3.062 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000910986079 622513040 /nfs/dbraw/zinc/51/30/40/622513040.db2.gz HMCFCFWSUQYHFU-YIZRAAEISA-N -1 1 267.275 3.045 20 0 CGADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910988356 622513762 /nfs/dbraw/zinc/51/37/62/622513762.db2.gz DLIXNYUEOYMFPV-GXSJLCMTSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(NCCc1ccsc1)c1c([O-])cccc1Cl ZINC000057307422 622868978 /nfs/dbraw/zinc/86/89/78/622868978.db2.gz DMVYVJVNCHNWAT-UHFFFAOYSA-N -1 1 281.764 3.080 20 0 CGADMM C[C@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000057307860 622869399 /nfs/dbraw/zinc/86/93/99/622869399.db2.gz KHSAULYWKOQQGE-VHSXEESVSA-N -1 1 267.756 3.354 20 0 CGADMM C[C@H](C(=O)[N-]OCc1ccc(F)cc1)c1cccc(F)c1 ZINC000184157502 625207901 /nfs/dbraw/zinc/20/79/01/625207901.db2.gz OFIKISZDAJUQCP-NSHDSACASA-N -1 1 291.297 3.316 20 0 CGADMM CC1(C)CCC[C@H](CC(=O)[N-]OCC(F)(F)F)C1 ZINC000756004738 626668589 /nfs/dbraw/zinc/66/85/89/626668589.db2.gz DYOZMJJQJRNZAR-SECBINFHSA-N -1 1 267.291 3.203 20 0 CGADMM CC(C)c1ccc(CCC(=O)[N-]OCC(F)F)cc1 ZINC000759335992 626888234 /nfs/dbraw/zinc/88/82/34/626888234.db2.gz FVCKGPLNXWNCJD-UHFFFAOYSA-N -1 1 271.307 3.056 20 0 CGADMM C[C@@H](CC(=O)[N-]OCC(F)(F)F)C1CCCCC1 ZINC000766769795 627359519 /nfs/dbraw/zinc/35/95/19/627359519.db2.gz YUFXPPRTTUKGOS-VIFPVBQESA-N -1 1 267.291 3.203 20 0 CGADMM Cc1ccc([C@@H](C)NC(=O)c2ccc([O-])c(F)c2)s1 ZINC000767319805 627398084 /nfs/dbraw/zinc/39/80/84/627398084.db2.gz MMWKJBUVPGNTTI-SECBINFHSA-N -1 1 279.336 3.392 20 0 CGADMM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000768257685 627470959 /nfs/dbraw/zinc/47/09/59/627470959.db2.gz JCOSOQOJMJANEX-SNVBAGLBSA-N -1 1 291.297 3.488 20 0 CGADMM C[C@H]1CCCCCN1C(=O)c1c([O-])cccc1Cl ZINC000769857906 627584260 /nfs/dbraw/zinc/58/42/60/627584260.db2.gz ACKUOUIHBXCVNP-JTQLQIEISA-N -1 1 267.756 3.450 20 0 CGADMM C[C@H]1CC[C@H](C)N1C(=O)c1c([O-])cccc1Cl ZINC000769982568 627594234 /nfs/dbraw/zinc/59/42/34/627594234.db2.gz HHYZDFBDSXHVQV-IUCAKERBSA-N -1 1 253.729 3.059 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccc(F)nc2)c([O-])c1 ZINC000770024996 627598661 /nfs/dbraw/zinc/59/86/61/627598661.db2.gz KOZHNXWJZZDALJ-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM CC(C)[C@@H](NC(=O)c1c([O-])cccc1F)c1ccccn1 ZINC000772080793 627761108 /nfs/dbraw/zinc/76/11/08/627761108.db2.gz IFXKXFBGIBBZKH-OAHLLOKOSA-N -1 1 288.322 3.053 20 0 CGADMM CC(C)c1ccc(COC(=O)c2cn[n-]n2)c(C(C)C)c1 ZINC000805606957 628349811 /nfs/dbraw/zinc/34/98/11/628349811.db2.gz DUMOMMUOIZMNJA-UHFFFAOYSA-N -1 1 287.363 3.409 20 0 CGADMM CC[C@@H](C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000778829150 628374474 /nfs/dbraw/zinc/37/44/74/628374474.db2.gz LYUHZMQOMLBGPS-SSDOTTSWSA-N -1 1 273.126 3.110 20 0 CGADMM CCSc1cccc(C=C2SC(=O)[N-]C2=O)c1 ZINC000874928488 634654097 /nfs/dbraw/zinc/65/40/97/634654097.db2.gz NUZAXKYORINOOZ-JXMROGBWSA-N -1 1 265.359 3.123 20 0 CGADMM O=S(=O)([N-]c1ccccc1)c1cccc(C(F)F)c1 ZINC000780363511 628484876 /nfs/dbraw/zinc/48/48/76/628484876.db2.gz OUMLSLBAYBMFRA-UHFFFAOYSA-N -1 1 283.299 3.425 20 0 CGADMM CCCCCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000788601324 629068566 /nfs/dbraw/zinc/06/85/66/629068566.db2.gz YPGJLMFNRRWPTJ-UHFFFAOYSA-N -1 1 290.315 3.122 20 0 CGADMM CC(C)(C)/C=C\C(=O)Nc1nc(Br)ccc1[O-] ZINC000789922079 629173964 /nfs/dbraw/zinc/17/39/64/629173964.db2.gz DYOCNNRVWHXKPF-SREVYHEPSA-N -1 1 299.168 3.091 20 0 CGADMM CC[C@H](C)[C@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790056521 629181152 /nfs/dbraw/zinc/18/11/52/629181152.db2.gz NPPOQPIYPOEIDQ-YUMQZZPRSA-N -1 1 256.733 3.061 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C1(F)CCCCC1 ZINC000863008027 629459180 /nfs/dbraw/zinc/45/91/80/629459180.db2.gz FKJDWXHQRMYWAC-UHFFFAOYSA-N -1 1 255.264 3.142 20 0 CGADMM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1cccc(F)c1[O-] ZINC000863008455 629459292 /nfs/dbraw/zinc/45/92/92/629459292.db2.gz STLPGGBGRVUHFD-SSDOTTSWSA-N -1 1 292.137 3.444 20 0 CGADMM Cc1cc(C)c(C(=O)Nc2c([O-])cccc2F)cc1C=O ZINC000793736867 629499259 /nfs/dbraw/zinc/49/92/59/629499259.db2.gz UGGASXHFHRQHIF-UHFFFAOYSA-N -1 1 287.290 3.213 20 0 CGADMM CCc1cc(=O)[n-]c(SCCC(F)(F)Cl)n1 ZINC000863323274 629533606 /nfs/dbraw/zinc/53/36/06/629533606.db2.gz JMKUSPAAWUVFPA-UHFFFAOYSA-N -1 1 268.716 3.058 20 0 CGADMM CC(C)(C)/C=C/C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863475667 629584123 /nfs/dbraw/zinc/58/41/23/629584123.db2.gz NNEFVPCDBBZNKJ-CSKARUKUSA-N -1 1 285.347 3.119 20 0 CGADMM CCCc1occc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000798996627 630133365 /nfs/dbraw/zinc/13/33/65/630133365.db2.gz QDBBNMCKJFXIGQ-UHFFFAOYSA-N -1 1 280.711 3.238 20 0 CGADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])cs1 ZINC000803172609 630450648 /nfs/dbraw/zinc/45/06/48/630450648.db2.gz RWFUNHIFGJLMBR-UHFFFAOYSA-N -1 1 268.725 3.063 20 0 CGADMM CCC(C)(C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876393284 634826414 /nfs/dbraw/zinc/82/64/14/634826414.db2.gz GLZBMMCISUBWAE-UHFFFAOYSA-N -1 1 270.760 3.033 20 0 CGADMM CN(CC1CCCC1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876392668 634826446 /nfs/dbraw/zinc/82/64/46/634826446.db2.gz BFNHGDGNWIQGLM-UHFFFAOYSA-N -1 1 296.798 3.377 20 0 CGADMM C[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394576 634826525 /nfs/dbraw/zinc/82/65/25/634826525.db2.gz XWBRCWJWPCQVNT-NXEZZACHSA-N -1 1 282.771 3.128 20 0 CGADMM CC1(C2(NC(=O)NCc3ccc([O-])c(Cl)c3)CC2)CC1 ZINC000876396649 634826653 /nfs/dbraw/zinc/82/66/53/634826653.db2.gz LKGBMVOPVNQWHF-UHFFFAOYSA-N -1 1 294.782 3.178 20 0 CGADMM C[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394575 634826658 /nfs/dbraw/zinc/82/66/58/634826658.db2.gz XWBRCWJWPCQVNT-AOOOYVTPSA-N -1 1 282.771 3.128 20 0 CGADMM CC(F)(F)C(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000815771495 631822712 /nfs/dbraw/zinc/82/27/12/631822712.db2.gz ZKPAXHKGZOUYSF-MRVPVSSYSA-N -1 1 273.245 3.269 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000816977503 632066984 /nfs/dbraw/zinc/06/69/84/632066984.db2.gz AOKXWPGKIDHZGJ-STQMWFEESA-N -1 1 288.391 3.376 20 0 CGADMM O=C(C[C@H]1CC=CCC1)Nc1ccc([O-])c(F)c1F ZINC000821981178 632851825 /nfs/dbraw/zinc/85/18/25/632851825.db2.gz XQMHVXAALBHAIJ-VIFPVBQESA-N -1 1 267.275 3.355 20 0 CGADMM Cc1sc(NC([O-])=NO[C@H]2CCCCO2)nc1C(C)C ZINC000824273604 633221290 /nfs/dbraw/zinc/22/12/90/633221290.db2.gz PYZYVJUDMOWRBK-JTQLQIEISA-N -1 1 299.396 3.155 20 0 CGADMM Cc1sc(NC(=O)[N-]O[C@H]2CCCCO2)nc1C(C)C ZINC000824273604 633221294 /nfs/dbraw/zinc/22/12/94/633221294.db2.gz PYZYVJUDMOWRBK-JTQLQIEISA-N -1 1 299.396 3.155 20 0 CGADMM O=S(=O)([N-]CCCCC1CC1)c1ccc(C(F)F)o1 ZINC000867783881 633266961 /nfs/dbraw/zinc/26/69/61/633266961.db2.gz SFRFMSABOYSWBG-UHFFFAOYSA-N -1 1 293.335 3.076 20 0 CGADMM CCC1(C(=O)[N-]O[C@H]2CCCCO2)CCC(F)(F)CC1 ZINC000825025864 633319207 /nfs/dbraw/zinc/31/92/07/633319207.db2.gz ALDFZNKKRAXDMA-NSHDSACASA-N -1 1 291.338 3.167 20 0 CGADMM Cc1cccc(CO[N-]C(=O)[C@H](C)c2ccccc2C)n1 ZINC000825566626 633364997 /nfs/dbraw/zinc/36/49/97/633364997.db2.gz ZEDQVYUKCBOWGF-CQSZACIVSA-N -1 1 284.359 3.050 20 0 CGADMM CC[C@H](CC(F)(F)F)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000830184420 633836838 /nfs/dbraw/zinc/83/68/38/633836838.db2.gz FAJVLULAWGSNAT-ZCFIWIBFSA-N -1 1 296.676 3.358 20 0 CGADMM CCc1[n-]n(-c2ccc(Cl)cc2Cl)c(=O)c1F ZINC000871939877 633921736 /nfs/dbraw/zinc/92/17/36/633921736.db2.gz IULQJNGUHMIVPA-SNVBAGLBSA-N -1 1 275.110 3.444 20 0 CGADMM CCc1[n-]n(-c2cccc(Cl)c2Cl)c(=O)c1F ZINC000871948187 633923201 /nfs/dbraw/zinc/92/32/01/633923201.db2.gz UHDNHRRLWKRURN-JTQLQIEISA-N -1 1 275.110 3.444 20 0 CGADMM CCc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1F ZINC000871948905 633923842 /nfs/dbraw/zinc/92/38/42/633923842.db2.gz HUWOOONLLZSDKT-NSHDSACASA-N -1 1 299.143 3.208 20 0 CGADMM O=c1c2c([n-]n1C[C@H]1CCCC1(F)F)CCCCC2 ZINC000871962463 633929379 /nfs/dbraw/zinc/92/93/79/633929379.db2.gz CEDGEMJOXILGNR-GHMZBOCLSA-N -1 1 270.323 3.200 20 0 CGADMM Cc1c(=O)n(C[C@H]2CCCC2(F)F)[n-]c1-c1ccccc1 ZINC000871964092 633930690 /nfs/dbraw/zinc/93/06/90/633930690.db2.gz WCBVXUABHFBBFG-WCQYABFASA-N -1 1 292.329 3.304 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3cc(Cl)ccc3F)c(=O)c21 ZINC000871963272 633930926 /nfs/dbraw/zinc/93/09/26/633930926.db2.gz MTZFZZAPRZAHNW-MADCSZMMSA-N -1 1 266.703 3.228 20 0 CGADMM CCC(F)(F)C(=O)[N-]Cc1ccc(C(F)(F)F)s1 ZINC000834344971 634149156 /nfs/dbraw/zinc/14/91/56/634149156.db2.gz HXNWSOOCTFPXOH-UHFFFAOYSA-N -1 1 287.253 3.428 20 0 CGADMM O=C(NCCC1=CCCC1)NCc1ccc([O-])c(Cl)c1 ZINC000872950129 634224892 /nfs/dbraw/zinc/22/48/92/634224892.db2.gz SCMDHNWFBBFRJT-UHFFFAOYSA-N -1 1 294.782 3.345 20 0 CGADMM CC1(C)CC[C@@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000873013739 634230574 /nfs/dbraw/zinc/23/05/74/634230574.db2.gz GWOHPUHYTOKZHD-LBPRGKRZSA-N -1 1 282.771 3.033 20 0 CGADMM O=C(N[C@H]1CCSC2(CCC2)C1)c1ccc([O-])c(F)c1 ZINC000834734153 634231599 /nfs/dbraw/zinc/23/15/99/634231599.db2.gz BZFQXPKBZAZJNO-NSHDSACASA-N -1 1 295.379 3.079 20 0 CGADMM CC1(C)CC[C@H](C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000834825500 634249323 /nfs/dbraw/zinc/24/93/23/634249323.db2.gz LIIURINRVUKWOX-NSHDSACASA-N -1 1 281.783 3.488 20 0 CGADMM CC(C)C(C)(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825470 634249356 /nfs/dbraw/zinc/24/93/56/634249356.db2.gz KLRWUQBFQRAYMW-UHFFFAOYSA-N -1 1 269.772 3.344 20 0 CGADMM C[C@H](CC(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000834833968 634252739 /nfs/dbraw/zinc/25/27/39/634252739.db2.gz RLYJQCIDLZTQIU-SECBINFHSA-N -1 1 267.756 3.098 20 0 CGADMM Oc1ccc(CNCc2cnc(C3CC3)nc2)cc1Cl ZINC000873179678 634273477 /nfs/dbraw/zinc/27/34/77/634273477.db2.gz MVWXFQRKFOTCGR-UHFFFAOYSA-N -1 1 289.766 3.003 20 0 CGADMM C[C@H]1CC[C@@](C)(C(=O)[N-]O[C@H]2CCCCO2)C1(C)C ZINC000837381768 634899538 /nfs/dbraw/zinc/89/95/38/634899538.db2.gz OLEGFXHHBITVCM-HUBLWGQQSA-N -1 1 269.385 3.023 20 0 CGADMM CC[C@H](CC(F)F)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000837577864 634940416 /nfs/dbraw/zinc/94/04/16/634940416.db2.gz ZUZBRAKFIJDXDS-ZCFIWIBFSA-N -1 1 278.686 3.061 20 0 CGADMM CC1(C)CC[C@@H](CC(=O)Nc2ccc(F)cc2[O-])OC1 ZINC000879183592 635721928 /nfs/dbraw/zinc/72/19/28/635721928.db2.gz QOEGGLSQKKFUED-NSHDSACASA-N -1 1 281.327 3.065 20 0 CGADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)CC(F)F ZINC000881536427 636136052 /nfs/dbraw/zinc/13/60/52/636136052.db2.gz CLSMBHNBEUODJY-UHFFFAOYSA-N -1 1 293.260 3.082 20 0 CGADMM O=C(NCC[C@H]1CCCC1(F)F)c1ccc([O-])cc1F ZINC000881583850 636151212 /nfs/dbraw/zinc/15/12/12/636151212.db2.gz NVNREOPQCHGEKK-SECBINFHSA-N -1 1 287.281 3.087 20 0 CGADMM CCO[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C(C)C ZINC000885680156 637285089 /nfs/dbraw/zinc/28/50/89/637285089.db2.gz MWXUEMCFGBVJRG-LBPRGKRZSA-N -1 1 289.734 3.184 20 0 CGADMM C[C@H]1CCc2ccccc2N1C(=O)c1ccc(O)cc1[O-] ZINC000220067801 637604931 /nfs/dbraw/zinc/60/49/31/637604931.db2.gz OYIVLQTWURCFIL-NSHDSACASA-N -1 1 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O=C([O-])c1ccccc1-n1[nH]c(-c2ccc(F)cc2)cc1=O ZINC001245917974 804044257 /nfs/dbraw/zinc/04/42/57/804044257.db2.gz OXQIOEQZSLKWHN-UHFFFAOYSA-N -1 1 298.273 3.082 20 0 CGADMM COc1cccc(-c2cc(=O)n(-c3cc(C)ccc3O)[n-]2)c1 ZINC001245919979 804048428 /nfs/dbraw/zinc/04/84/28/804048428.db2.gz XAWZNAQJGSHKNA-UHFFFAOYSA-N -1 1 296.326 3.268 20 0 CGADMM Cc1cc(=O)n(-c2ccc(SC(F)(F)F)cc2)[n-]1 ZINC001245928307 804056563 /nfs/dbraw/zinc/05/65/63/804056563.db2.gz SMRXHLYBNVTKIM-UHFFFAOYSA-N -1 1 274.267 3.498 20 0 CGADMM CC(C)(C)NC(=S)n1[n-]c(CCC2CCCC2)cc1=O ZINC001245932460 804061036 /nfs/dbraw/zinc/06/10/36/804061036.db2.gz PKYDBUFMQACKOL-UHFFFAOYSA-N -1 1 295.452 3.233 20 0 CGADMM CC(C)(C)Cc1cc(=O)n(C(=S)NC2CCCCC2)[n-]1 ZINC001245932916 804062246 /nfs/dbraw/zinc/06/22/46/804062246.db2.gz RSHMXZIIUPIFRN-UHFFFAOYSA-N -1 1 295.452 3.233 20 0 CGADMM Cc1[nH]c(CN2CCc3ccccc3[C@@H]2C)c(C)c1C(=O)[O-] ZINC001140494045 804446831 /nfs/dbraw/zinc/44/68/31/804446831.db2.gz UOVDPQUPRKVSAE-ZDUSSCGKSA-N -1 1 298.386 3.449 20 0 CGADMM [O-]c1ccc(CN2CCc3cc(F)ccc3C2)c(F)c1F ZINC001140892683 804542446 /nfs/dbraw/zinc/54/24/46/804542446.db2.gz WKTIRFZEGXPSFE-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCCCCCCC2)c1 ZINC001140915997 804547353 /nfs/dbraw/zinc/54/73/53/804547353.db2.gz RBICPRCEXZIUEU-UHFFFAOYSA-N -1 1 289.375 3.310 20 0 CGADMM [O-]c1c(F)cc(CN2CC[C@@H](CF)C(F)(F)C2)cc1F ZINC001140988379 804563051 /nfs/dbraw/zinc/56/30/51/804563051.db2.gz YLBLPYPCTXOCPH-VIFPVBQESA-N -1 1 295.251 3.097 20 0 CGADMM CC[C@@H](CC(C)C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC001141624359 804658319 /nfs/dbraw/zinc/65/83/19/804658319.db2.gz PJALHDZIJCJPEX-NSHDSACASA-N -1 1 290.363 3.463 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2ccc3ccncc3c2)no1 ZINC001212480718 815034499 /nfs/dbraw/zinc/03/44/99/815034499.db2.gz FDICLXFTUDRABZ-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])C1CC(F)C1 ZINC001142579185 804740704 /nfs/dbraw/zinc/74/07/04/804740704.db2.gz DPIHNVHGWRKTRV-UHFFFAOYSA-N -1 1 277.217 3.098 20 0 CGADMM Cc1occc1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001142751828 804762930 /nfs/dbraw/zinc/76/29/30/804762930.db2.gz SFCMUQDWMWVLAS-UHFFFAOYSA-N -1 1 299.248 3.242 20 0 CGADMM CCC[C@@H](CC)NC(=O)c1ncc2ccccc2c1[O-] ZINC001142887201 804780026 /nfs/dbraw/zinc/78/00/26/804780026.db2.gz WDBXDNFDPXPWID-GFCCVEGCSA-N -1 1 272.348 3.249 20 0 CGADMM Cc1cccc(N(C)C(=O)c2cccc([O-])c2F)c1 ZINC001143664321 804882206 /nfs/dbraw/zinc/88/22/06/804882206.db2.gz XZBZGVQCEJNWDJ-UHFFFAOYSA-N -1 1 259.280 3.116 20 0 CGADMM [O-]c1cc(F)c(CN2CCOc3ccccc3C2)c(F)c1 ZINC001144555068 805004356 /nfs/dbraw/zinc/00/43/56/805004356.db2.gz UAHSLGHRRHFGFV-UHFFFAOYSA-N -1 1 291.297 3.065 20 0 CGADMM CN(Cc1cccs1)Cc1c(F)cc([O-])cc1F ZINC001144554941 805005434 /nfs/dbraw/zinc/00/54/34/805005434.db2.gz NGXYTZNHVSOMKI-UHFFFAOYSA-N -1 1 269.316 3.364 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1CCC=CCCC1 ZINC001146551818 805074640 /nfs/dbraw/zinc/07/46/40/805074640.db2.gz QAOFECNSWAZUNC-LBPRGKRZSA-N -1 1 263.312 3.372 20 0 CGADMM CC(C)C1CCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001146595879 805075643 /nfs/dbraw/zinc/07/56/43/805075643.db2.gz HTKJHFUORIDIJL-UHFFFAOYSA-N -1 1 265.328 3.040 20 0 CGADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccc([O-])c1F ZINC001146669620 805078126 /nfs/dbraw/zinc/07/81/26/805078126.db2.gz WSDZGHBNDOSEGE-GRYCIOLGSA-N -1 1 277.339 3.230 20 0 CGADMM FC(F)(F)c1cnccc1N=c1[n-]sc2ncccc21 ZINC001249586104 805181794 /nfs/dbraw/zinc/18/17/94/805181794.db2.gz KAUDGDGGWGVRLY-UHFFFAOYSA-N -1 1 296.277 3.271 20 0 CGADMM CC1CC(N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC001148793849 805211090 /nfs/dbraw/zinc/21/10/90/805211090.db2.gz AKSMXQRBCIDMMK-UHFFFAOYSA-N -1 1 287.281 3.282 20 0 CGADMM O=C(Nc1ncccn1)c1cccc(-c2ccccc2)c1[O-] ZINC001148861215 805213741 /nfs/dbraw/zinc/21/37/41/805213741.db2.gz OMWMWFMANWDWJW-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM COc1cc(Nc2cc(F)c([O-])cc2F)ccc1N ZINC001249725456 805227560 /nfs/dbraw/zinc/22/75/60/805227560.db2.gz XQDMVEZDXHDMRX-UHFFFAOYSA-N -1 1 266.247 3.005 20 0 CGADMM C[C@H]1CCN(Cc2ccc(F)c(C(=O)[O-])c2F)[C@@H](C)C1 ZINC001249774123 805240497 /nfs/dbraw/zinc/24/04/97/805240497.db2.gz SSKRRLCAGNCVDA-UWVGGRQHSA-N -1 1 283.318 3.283 20 0 CGADMM O=C(N[C@]12C[C@H]1CCCC2)c1ncc2ccccc2c1[O-] ZINC001151545085 805296728 /nfs/dbraw/zinc/29/67/28/805296728.db2.gz NFHQUMYNYBOPAU-SJKOYZFVSA-N -1 1 282.343 3.003 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cccnc1C1CC1 ZINC001151780210 805312967 /nfs/dbraw/zinc/31/29/67/805312967.db2.gz VCCKRZTVSGDQOP-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM CCn1ncc(Nc2cc([O-])c(F)c(F)c2F)c1C ZINC001249957314 805324027 /nfs/dbraw/zinc/32/40/27/805324027.db2.gz CRFRETNBJLAVFA-UHFFFAOYSA-N -1 1 271.242 3.078 20 0 CGADMM [O-]c1cc(Nc2ncc(F)s2)c(F)c(F)c1F ZINC001249958746 805324654 /nfs/dbraw/zinc/32/46/54/805324654.db2.gz RLYHAAXSEIAAPP-UHFFFAOYSA-N -1 1 264.203 3.149 20 0 CGADMM Cc1ccc(F)c(Nc2cc([O-])c(F)c(F)c2F)n1 ZINC001249961081 805329734 /nfs/dbraw/zinc/32/97/34/805329734.db2.gz FCDOFYPISURCFF-UHFFFAOYSA-N -1 1 272.201 3.396 20 0 CGADMM [O-]c1cc(Nc2cccc3c2OCC3)c(F)c(F)c1F ZINC001249964996 805332772 /nfs/dbraw/zinc/33/27/72/805332772.db2.gz QQVINJJYLHMTKU-UHFFFAOYSA-N -1 1 281.233 3.488 20 0 CGADMM Cc1ccc(Nc2cc([O-])c(F)c(F)c2F)cc1CO ZINC001249965955 805332795 /nfs/dbraw/zinc/33/27/95/805332795.db2.gz UPNZHPMBSUVYTG-UHFFFAOYSA-N -1 1 283.249 3.354 20 0 CGADMM COc1cc(CO)ccc1Nc1cc([O-])c(F)c(F)c1F ZINC001249964440 805333787 /nfs/dbraw/zinc/33/37/87/805333787.db2.gz DVJCITXSOKRTTB-UHFFFAOYSA-N -1 1 299.248 3.054 20 0 CGADMM [O-]c1c(Cl)c(Cl)ccc1Nc1ccc2nncn2c1 ZINC001250010068 805365763 /nfs/dbraw/zinc/36/57/63/805365763.db2.gz XARSBMQGAKIPAK-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM Cc1cnc(C)c(Nc2cc(Cl)c([O-])cc2F)n1 ZINC001250018939 805369328 /nfs/dbraw/zinc/36/93/28/805369328.db2.gz VSDXEFHOCYCODN-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM NC(=O)c1cc(F)ccc1Nc1cc(Cl)c([O-])cc1F ZINC001250023798 805375778 /nfs/dbraw/zinc/37/57/78/805375778.db2.gz BGRDUGFCTIMZPA-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM Cc1cc(Nc2ccnc(Cl)c2[O-])c(C)cc1CO ZINC001250059885 805395134 /nfs/dbraw/zinc/39/51/34/805395134.db2.gz VAAACOSNHJDNOB-UHFFFAOYSA-N -1 1 278.739 3.293 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1nncc2ccccc21 ZINC001153462490 805397862 /nfs/dbraw/zinc/39/78/62/805397862.db2.gz ZHCSKVLEWLXVSO-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM O=C(c1c([O-])ccc2ccccc21)N1C2CCC1CC2 ZINC001153506054 805399981 /nfs/dbraw/zinc/39/99/81/805399981.db2.gz QZXWCNBZKWYHAR-UHFFFAOYSA-N -1 1 267.328 3.312 20 0 CGADMM CN(Cc1cncs1)C(=O)c1c([O-])ccc2ccccc21 ZINC001153504127 805400289 /nfs/dbraw/zinc/40/02/89/805400289.db2.gz FDPNDRZUQOMSKW-UHFFFAOYSA-N -1 1 298.367 3.274 20 0 CGADMM COc1ccc2ncc([O-])c(C(=O)Nc3ccccc3)c2c1 ZINC001154507637 805460296 /nfs/dbraw/zinc/46/02/96/805460296.db2.gz ZPTGBJCLRRXYRQ-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM COc1cc2[nH]ncc2cc1C(=O)Nc1ccccc1[S-] ZINC001154794694 805488225 /nfs/dbraw/zinc/48/82/25/805488225.db2.gz YKKAYAZRMZNVDB-UHFFFAOYSA-N -1 1 299.355 3.113 20 0 CGADMM Nc1cccc2cn(-c3c(F)ccc([O-])c3Cl)nc21 ZINC001250233343 805507708 /nfs/dbraw/zinc/50/77/08/805507708.db2.gz MWXLYILCDUNVKU-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM Cc1nnc2ccc(Nc3c(F)ccc([O-])c3Cl)cn12 ZINC001250234655 805509224 /nfs/dbraw/zinc/50/92/24/805509224.db2.gz URKXFDKHDYAZEQ-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM COc1cc([O-])c(-c2nnc(C3CCCC3)o2)c(OC)c1 ZINC001257588706 807202470 /nfs/dbraw/zinc/20/24/70/807202470.db2.gz PGHUIPVWPSTQMI-UHFFFAOYSA-N -1 1 290.319 3.117 20 0 CGADMM COc1c(C)cc(-c2noc(-c3ccncc3[O-])n2)cc1C ZINC001212722720 815115193 /nfs/dbraw/zinc/11/51/93/815115193.db2.gz XPPMYPOECGKRTQ-UHFFFAOYSA-N -1 1 297.314 3.130 20 0 CGADMM CC/C=C/[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC001260473092 807697330 /nfs/dbraw/zinc/69/73/30/807697330.db2.gz RGIAVKZNWINUGU-ONEGZZNKSA-N -1 1 286.205 3.257 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1cccc2c(Cl)ccnc12 ZINC001260741522 807703286 /nfs/dbraw/zinc/70/32/86/807703286.db2.gz JXDAHFHKCYRDCF-VIFPVBQESA-N -1 1 298.795 3.428 20 0 CGADMM Cc1cc(O)cc([N-]S(=O)(=O)c2cccc(C)c2C)c1 ZINC001260998008 807709423 /nfs/dbraw/zinc/70/94/23/807709423.db2.gz CRYQMDCPKDTBLM-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCOc2ccccc21 ZINC001171632975 808108974 /nfs/dbraw/zinc/10/89/74/808108974.db2.gz ZHQHZOZSLGZFKL-NSHDSACASA-N -1 1 287.290 3.036 20 0 CGADMM CSc1cc(C)c(C(=O)Nc2cccc(F)c2[O-])o1 ZINC001171638265 808110998 /nfs/dbraw/zinc/11/09/98/808110998.db2.gz UIVLPGGFTZFKBA-UHFFFAOYSA-N -1 1 281.308 3.407 20 0 CGADMM CCc1nocc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC001266747228 808311378 /nfs/dbraw/zinc/31/13/78/808311378.db2.gz JIQYYRKZZJZDPL-UHFFFAOYSA-N -1 1 286.665 3.421 20 0 CGADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(F)cc2)c1 ZINC001173798980 808674889 /nfs/dbraw/zinc/67/48/89/808674889.db2.gz BOCOVSIXUUHHKQ-UHFFFAOYSA-N -1 1 295.335 3.069 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccsc1 ZINC001173818680 808687400 /nfs/dbraw/zinc/68/74/00/808687400.db2.gz QMAODCNATBTMTH-UHFFFAOYSA-N -1 1 259.286 3.304 20 0 CGADMM COc1ccccc1Nc1ccnc(Cl)c1[O-] ZINC001173838981 808701566 /nfs/dbraw/zinc/70/15/66/808701566.db2.gz ZPZMTCZCWBZNKE-UHFFFAOYSA-N -1 1 250.685 3.193 20 0 CGADMM COc1ccccc1Nc1ccc(F)c(F)c1[O-] ZINC001173840198 808702986 /nfs/dbraw/zinc/70/29/86/808702986.db2.gz VCUPWKVBZZDKAI-UHFFFAOYSA-N -1 1 251.232 3.423 20 0 CGADMM COc1ncccc1Nc1cc([O-])c(Cl)cc1F ZINC001174044296 808843343 /nfs/dbraw/zinc/84/33/43/808843343.db2.gz PQUOPMWMTOHGTE-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM COc1ccc(Nc2ccnc(Cl)c2[O-])c(F)c1 ZINC001174143447 808888971 /nfs/dbraw/zinc/88/89/71/808888971.db2.gz HYJYQPMFNIRJNA-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM CC(=O)NCc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001174234182 808916067 /nfs/dbraw/zinc/91/60/67/808916067.db2.gz NEOWDHBKWDLIHL-UHFFFAOYSA-N -1 1 292.285 3.050 20 0 CGADMM Cn1nc(C(F)(F)F)cc1Nc1ccc(F)c(F)c1[O-] ZINC001174326155 808952920 /nfs/dbraw/zinc/95/29/20/808952920.db2.gz AYFLOBXWLVNPAA-UHFFFAOYSA-N -1 1 293.195 3.166 20 0 CGADMM CC(=O)NCc1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001174373721 808981622 /nfs/dbraw/zinc/98/16/22/808981622.db2.gz FIZWKVVWTUTDDV-UHFFFAOYSA-N -1 1 292.285 3.050 20 0 CGADMM [O-]c1c(Cl)c(Cl)ccc1Nc1ccc2ncnn2c1 ZINC001174375928 808983551 /nfs/dbraw/zinc/98/35/51/808983551.db2.gz SSABSDRCKXBIDV-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc(O)c(F)c1 ZINC001174735206 809145916 /nfs/dbraw/zinc/14/59/16/809145916.db2.gz PYSNICSVQCWSQN-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM CN(C)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001174881375 809188519 /nfs/dbraw/zinc/18/85/19/809188519.db2.gz STOYSTHVTNWOEN-UHFFFAOYSA-N -1 1 264.275 3.480 20 0 CGADMM COc1ccc([N-]c2noc(C(C)(C)C)n2)c(F)c1F ZINC001175021515 809243039 /nfs/dbraw/zinc/24/30/39/809243039.db2.gz QMBGJFBCEAXSKL-UHFFFAOYSA-N -1 1 283.278 3.398 20 0 CGADMM CN1CCC=C(Nc2ccc(Cl)cc2[S-])C1 ZINC001175579853 809460596 /nfs/dbraw/zinc/46/05/96/809460596.db2.gz HEDVCEUHQXPWBN-UHFFFAOYSA-N -1 1 254.786 3.260 20 0 CGADMM C[C@@H](NC(=O)c1cccc([O-])c1F)c1cccc(F)c1F ZINC001295254941 809484515 /nfs/dbraw/zinc/48/45/15/809484515.db2.gz PYSUHWLAOVQQRD-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM CCCCn1ncc(NC(=O)c2cccc([O-])c2F)c1C ZINC001295321917 809485637 /nfs/dbraw/zinc/48/56/37/809485637.db2.gz KSUBASATCNOWLY-UHFFFAOYSA-N -1 1 291.326 3.089 20 0 CGADMM CSc1ncc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001175650693 809488773 /nfs/dbraw/zinc/48/87/73/809488773.db2.gz NNYUHEQNKAYRGJ-UHFFFAOYSA-N -1 1 285.731 3.440 20 0 CGADMM CCC1(CC)CCC(NC(=O)c2ccc([O-])cn2)CC1 ZINC001297297150 809515315 /nfs/dbraw/zinc/51/53/15/809515315.db2.gz JKUUPKBJPYSRBE-UHFFFAOYSA-N -1 1 276.380 3.266 20 0 CGADMM CCOc1ccc(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001175743818 809528634 /nfs/dbraw/zinc/52/86/34/809528634.db2.gz JXIXGZFTPCAYSQ-UHFFFAOYSA-N -1 1 266.247 3.208 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C1(Nc2ccccc2)CC1 ZINC001302484530 809596019 /nfs/dbraw/zinc/59/60/19/809596019.db2.gz DNMUGSXIMZQRKR-UHFFFAOYSA-N -1 1 286.306 3.115 20 0 CGADMM Cc1nsc(C)c1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001303299271 809608011 /nfs/dbraw/zinc/60/80/11/809608011.db2.gz RZGGQGDQCZJFCY-UHFFFAOYSA-N -1 1 296.779 3.049 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1ccc(Cl)o1 ZINC001303297286 809608149 /nfs/dbraw/zinc/60/81/49/809608149.db2.gz WDQXBGLNFAVGRH-UHFFFAOYSA-N -1 1 286.114 3.222 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2noc3cnccc32)c1F ZINC001176663178 809737317 /nfs/dbraw/zinc/73/73/17/809737317.db2.gz DDBLNHPEZAMMFP-UHFFFAOYSA-N -1 1 281.193 3.089 20 0 CGADMM O=c1[nH]c2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2o1 ZINC001176671278 809739667 /nfs/dbraw/zinc/73/96/67/809739667.db2.gz WJTRULPEWVALIS-UHFFFAOYSA-N -1 1 296.204 3.400 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc(O)cc2F)c1F ZINC001176671969 809740185 /nfs/dbraw/zinc/74/01/85/809740185.db2.gz QBZORVSGZMWCCM-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM Cc1cc(F)ccc1[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC001177320554 809794461 /nfs/dbraw/zinc/79/44/61/809794461.db2.gz DIEFQDWCYJLTDD-JTQLQIEISA-N -1 1 291.297 3.470 20 0 CGADMM C[C@H]1CCC[C@H](C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001178784960 809887578 /nfs/dbraw/zinc/88/75/78/809887578.db2.gz MBIMBABCADJLCA-QWRGUYRKSA-N -1 1 297.345 3.155 20 0 CGADMM C[C@@H]1CCCN(Cc2ncc(Br)cc2[O-])[C@H]1C ZINC001179858416 809952310 /nfs/dbraw/zinc/95/23/10/809952310.db2.gz FEVDIGYKRAJDOJ-ZJUUUORDSA-N -1 1 299.212 3.170 20 0 CGADMM O=C(NCc1cccc2ncccc12)c1ccc([O-])c(F)c1 ZINC001186236283 810322815 /nfs/dbraw/zinc/32/28/15/810322815.db2.gz FEHGHMPWONRRSG-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=C(Nc1ccc(C(F)F)nc1)c1ccc([O-])cc1F ZINC001186318337 810327275 /nfs/dbraw/zinc/32/72/75/810327275.db2.gz IXRAYCUYJGPMKY-UHFFFAOYSA-N -1 1 282.221 3.116 20 0 CGADMM Nc1ccc(F)cc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001214216591 815385824 /nfs/dbraw/zinc/38/58/24/815385824.db2.gz DUYHDDVIXLKSIX-UHFFFAOYSA-N -1 1 284.294 3.043 20 0 CGADMM CCCCc1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190896281 810656089 /nfs/dbraw/zinc/65/60/89/810656089.db2.gz IUCLXXDQAQULIS-UHFFFAOYSA-N -1 1 290.388 3.225 20 0 CGADMM CC(C)c1cc([N-]c2nonc2N)ccc1Cl ZINC001214316269 815395270 /nfs/dbraw/zinc/39/52/70/815395270.db2.gz DQZSJZZHFBBKQS-UHFFFAOYSA-N -1 1 252.705 3.172 20 0 CGADMM O=C(Nc1cnc(C2CC2)s1)c1c(F)ccc([O-])c1F ZINC001192525666 810803893 /nfs/dbraw/zinc/80/38/93/810803893.db2.gz YQNYWYSBHXWFEI-UHFFFAOYSA-N -1 1 296.298 3.257 20 0 CGADMM C[C@]1(F)CCCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC001192526447 810803904 /nfs/dbraw/zinc/80/39/04/810803904.db2.gz KBKFEZHQQTYRIY-AWEZNQCLSA-N -1 1 287.281 3.025 20 0 CGADMM Cc1cc(Nc2cc(F)c([O-])c(Cl)c2)n(CCF)n1 ZINC001214484818 815416061 /nfs/dbraw/zinc/41/60/61/815416061.db2.gz PPWIEFGBYZHLPJ-UHFFFAOYSA-N -1 1 287.697 3.403 20 0 CGADMM CC(C)(C)COC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001194400242 811067940 /nfs/dbraw/zinc/06/79/40/811067940.db2.gz AQLOIROVMSPZOO-UHFFFAOYSA-N -1 1 289.335 3.173 20 0 CGADMM O=C(Nc1ccc2[nH]ccc2c1)c1c[n-]c(C(F)(F)F)n1 ZINC001194770701 811131077 /nfs/dbraw/zinc/13/10/77/811131077.db2.gz NLBMEIVTOGRMAX-UHFFFAOYSA-N -1 1 294.236 3.162 20 0 CGADMM CC(C)CCOC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001194853391 811155954 /nfs/dbraw/zinc/15/59/54/811155954.db2.gz XOTDGWQHVXSTIG-UHFFFAOYSA-N -1 1 291.303 3.093 20 0 CGADMM CC1(C)CCC(NC(=O)c2cc([O-])cnc2Cl)CC1 ZINC001195313296 811240787 /nfs/dbraw/zinc/24/07/87/811240787.db2.gz XBJJJZGIPBGXHX-UHFFFAOYSA-N -1 1 282.771 3.139 20 0 CGADMM CCOC(=O)[N-]C(=S)N=c1[nH]c2c(cccc2C)s1 ZINC001195454262 811255796 /nfs/dbraw/zinc/25/57/96/811255796.db2.gz DTYAJJGNENUBCE-UHFFFAOYSA-N -1 1 295.389 3.048 20 0 CGADMM COc1ccc(NC(=S)Nc2ccc(F)cc2[O-])cc1 ZINC001195703535 811280517 /nfs/dbraw/zinc/28/05/17/811280517.db2.gz MROQMGMEPBPMAY-UHFFFAOYSA-N -1 1 292.335 3.349 20 0 CGADMM CC[C@@H](C)CNC(=S)Nc1cc(F)cc(F)c1[O-] ZINC001200258058 811656158 /nfs/dbraw/zinc/65/61/58/811656158.db2.gz REBMARHLVRVZHK-SSDOTTSWSA-N -1 1 274.336 3.003 20 0 CGADMM [O-]c1cc(NC(=S)NC2CCCCC2)c(F)cc1F ZINC001200651416 811728648 /nfs/dbraw/zinc/72/86/48/811728648.db2.gz OLOONOVHSWEFBU-UHFFFAOYSA-N -1 1 286.347 3.290 20 0 CGADMM CC(=O)c1ccc(F)c(-c2noc(-c3ccccc3[O-])n2)c1 ZINC001215142170 815488151 /nfs/dbraw/zinc/48/81/51/815488151.db2.gz NKGACAKDHWZGCJ-UHFFFAOYSA-N -1 1 298.273 3.451 20 0 CGADMM COc1ccccc1NC(=O)Nc1cc([O-])c(F)cc1F ZINC001202125155 812020406 /nfs/dbraw/zinc/02/04/06/812020406.db2.gz UPQAQQHQKUILRI-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM O=C(Nc1ccc(F)cc1)Nc1cc([O-])c(F)cc1F ZINC001202354692 812071800 /nfs/dbraw/zinc/07/18/00/812071800.db2.gz BZWKMWOLWGMKPJ-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM CSc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)c(C)c1 ZINC001215479484 815523376 /nfs/dbraw/zinc/52/33/76/815523376.db2.gz WXJJJJPWYNSWOU-UHFFFAOYSA-N -1 1 285.372 3.344 20 0 CGADMM CCc1nc(CN(C)Cc2ccc([O-])c(F)c2F)cs1 ZINC001204850332 812754957 /nfs/dbraw/zinc/75/49/57/812754957.db2.gz DCFVZKDJVYEPKV-UHFFFAOYSA-N -1 1 298.358 3.321 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc(F)cc3Cl)no2)nn1 ZINC001205293860 812934673 /nfs/dbraw/zinc/93/46/73/812934673.db2.gz JUNZOIUTEVTVBB-UHFFFAOYSA-N -1 1 292.657 3.253 20 0 CGADMM [O-]c1ccc(Cl)c(Nc2cnn3cccnc23)c1Cl ZINC001205987245 813152561 /nfs/dbraw/zinc/15/25/61/813152561.db2.gz MSFLNHVMDCRCAZ-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM Cc1cc(C(F)(F)F)nc(-c2ccc([O-])cc2F)n1 ZINC001206029562 813171981 /nfs/dbraw/zinc/17/19/81/813171981.db2.gz CSLAFVLFRKMHKX-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM CCc1nnc([N-]c2cc(F)cc(F)c2F)s1 ZINC001206375420 813306818 /nfs/dbraw/zinc/30/68/18/813306818.db2.gz BINRWZQPCRGDDC-UHFFFAOYSA-N -1 1 259.256 3.261 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc2c(c1)OCC2 ZINC001206666891 813393852 /nfs/dbraw/zinc/39/38/52/813393852.db2.gz GKIZRJGNNPPANO-UHFFFAOYSA-N -1 1 295.294 3.177 20 0 CGADMM COC(=O)CCc1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001206775910 813434837 /nfs/dbraw/zinc/43/48/37/813434837.db2.gz QLGDTXFQKBSWQM-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM CN(C)c1ccccc1Nc1ccc(F)c(F)c1[O-] ZINC001209994044 814234690 /nfs/dbraw/zinc/23/46/90/814234690.db2.gz QXHVRCLODIPZFI-UHFFFAOYSA-N -1 1 264.275 3.480 20 0 CGADMM CC(C)n1nccc1Nc1ccc(F)c(F)c1[O-] ZINC001210522992 814507110 /nfs/dbraw/zinc/50/71/10/814507110.db2.gz RDISJTIIAOEGPY-UHFFFAOYSA-N -1 1 253.252 3.191 20 0 CGADMM O=c1[nH]cc(Nc2cc([O-])c(Cl)cc2F)cc1F ZINC001210600990 814550369 /nfs/dbraw/zinc/55/03/69/814550369.db2.gz MFEVMRJXULHORW-UHFFFAOYSA-N -1 1 272.638 3.168 20 0 CGADMM CCOc1cncc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001210664211 814576716 /nfs/dbraw/zinc/57/67/16/814576716.db2.gz FCHWOBOXJYUHAH-UHFFFAOYSA-N -1 1 266.247 3.208 20 0 CGADMM [O-]c1cccc(-c2cc(N3CCCC3)ncn2)c1Cl ZINC001242800568 823136245 /nfs/dbraw/zinc/13/62/45/823136245.db2.gz IZSRYPIZCQZQBJ-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM NC(=O)c1cc(-c2cccc([O-])c2Cl)nc2ccccc21 ZINC001242799985 823136348 /nfs/dbraw/zinc/13/63/48/823136348.db2.gz BFNCAXPRWPJYFX-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM C[C@@H]1Oc2ccc(-c3cccc([O-])c3Cl)cc2NC1=O ZINC001242799813 823136515 /nfs/dbraw/zinc/13/65/15/823136515.db2.gz DRNLKTBVOMJEMB-QMMMGPOBSA-N -1 1 289.718 3.432 20 0 CGADMM CCOC(=O)c1cccc([N-]c2nnc(C(C)C)o2)c1 ZINC001211204433 814847219 /nfs/dbraw/zinc/84/72/19/814847219.db2.gz AZOJOUFEHKMBGL-UHFFFAOYSA-N -1 1 275.308 3.113 20 0 CGADMM [O-]c1cccc(-c2cc(O[C@H]3CCOC3)ccn2)c1Cl ZINC001242802997 823137784 /nfs/dbraw/zinc/13/77/84/823137784.db2.gz KELVDZJKHVPFQX-NSHDSACASA-N -1 1 291.734 3.275 20 0 CGADMM CNC(=O)c1ccc(-c2cccc([O-])c2Cl)cc1F ZINC001242802452 823137898 /nfs/dbraw/zinc/13/78/98/823137898.db2.gz IFJICVYAGWFUTF-UHFFFAOYSA-N -1 1 279.698 3.211 20 0 CGADMM [O-]c1cccc(-c2cc(-c3nn[nH]n3)ccc2F)c1Cl ZINC001242802993 823137900 /nfs/dbraw/zinc/13/79/00/823137900.db2.gz UWPOHKXQFCHDSE-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM COC(=O)c1ccc(F)cc1Nc1ccnc(Cl)c1[O-] ZINC001211347761 814883584 /nfs/dbraw/zinc/88/35/84/814883584.db2.gz ZPIFHHPYUDPOSN-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM Cc1nc2ccc(-c3cc(F)c([O-])cc3F)cc2c(=O)o1 ZINC001211349317 814883694 /nfs/dbraw/zinc/88/36/94/814883694.db2.gz CWWNFIMSAZIILO-UHFFFAOYSA-N -1 1 289.237 3.147 20 0 CGADMM NC(=O)c1cc2cc(-c3cc(F)c([O-])cc3F)ccc2o1 ZINC001211351772 814884476 /nfs/dbraw/zinc/88/44/76/814884476.db2.gz CBAFSUHZIGJNQK-UHFFFAOYSA-N -1 1 289.237 3.183 20 0 CGADMM COc1cnc(C)c(-c2cc(F)c([O-])cc2F)c1 ZINC001211353020 814885107 /nfs/dbraw/zinc/88/51/07/814885107.db2.gz QSNFEVBOIUNBIW-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM Cn1cnc([N-]c2c(Cl)cccc2C(F)(F)F)n1 ZINC001215967928 815644909 /nfs/dbraw/zinc/64/49/09/815644909.db2.gz IZVBFKSRTBIXFT-UHFFFAOYSA-N -1 1 276.649 3.231 20 0 CGADMM Cc1nc(-c2noc(-c3cccc([O-])c3F)n2)ccc1F ZINC001215988847 815653010 /nfs/dbraw/zinc/65/30/10/815653010.db2.gz IXQDMOIBWCDGRC-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1cc(C)c(N)c([N-]c2nnc(-c3ccco3)o2)c1 ZINC001216095291 815691178 /nfs/dbraw/zinc/69/11/78/815691178.db2.gz HOESBQMAFYAGNK-UHFFFAOYSA-N -1 1 270.292 3.272 20 0 CGADMM COc1ccc(Nc2cc(F)c([O-])cc2F)cc1N ZINC001216260728 815759710 /nfs/dbraw/zinc/75/97/10/815759710.db2.gz KLPBKIWWHLIWFI-UHFFFAOYSA-N -1 1 266.247 3.005 20 0 CGADMM [O-]c1cc(F)cc(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC001216340373 815791905 /nfs/dbraw/zinc/79/19/05/815791905.db2.gz XAHFXTXKCSYUCX-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM Cc1cc(O)cc([O-])c1-c1nc(-c2ccccc2)no1 ZINC001216987138 815905360 /nfs/dbraw/zinc/90/53/60/815905360.db2.gz RNLAYNMHLOZWHI-UHFFFAOYSA-N -1 1 268.272 3.123 20 0 CGADMM CN(C)Cc1cc(-c2ccccc2C(=O)[O-])ccc1F ZINC001242881924 823163714 /nfs/dbraw/zinc/16/37/14/823163714.db2.gz RUQPXUPEBYTMAC-UHFFFAOYSA-N -1 1 273.307 3.253 20 0 CGADMM C[C@H](OCc1nn[n-]n1)c1ccc(-c2ccccc2)cc1 ZINC001223027584 816553867 /nfs/dbraw/zinc/55/38/67/816553867.db2.gz QGJSESJMARPYIW-LBPRGKRZSA-N -1 1 280.331 3.145 20 0 CGADMM CCC[C@@H]1CCCC[C@@H]1OCCCC[P@](=O)([O-])O ZINC001225018638 816932234 /nfs/dbraw/zinc/93/22/34/816932234.db2.gz DGDJMBKNLXJMSG-OLZOCXBDSA-N -1 1 278.329 3.320 20 0 CGADMM CC(C)C[C@H](OCCCC[P@](=O)([O-])O)C(C)C ZINC001225018805 816934249 /nfs/dbraw/zinc/93/42/49/816934249.db2.gz IBTYZPANBKVAIJ-LBPRGKRZSA-N -1 1 266.318 3.032 20 0 CGADMM COc1ccc([C@@H](C)Oc2cc([O-])ccc2C(C)=O)cn1 ZINC001225616132 817114349 /nfs/dbraw/zinc/11/43/49/817114349.db2.gz GUYAWONKELHQKT-LLVKDONJSA-N -1 1 287.315 3.138 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccc(OC2CCOCC2)cc1 ZINC001225809631 817185968 /nfs/dbraw/zinc/18/59/68/817185968.db2.gz GFOXTSBTMGZFNI-UHFFFAOYSA-N -1 1 298.338 3.181 20 0 CGADMM COC1=CC[C@@H](Oc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC001226185152 817292937 /nfs/dbraw/zinc/29/29/37/817292937.db2.gz OUEJYUCZVMDYES-CQSZACIVSA-N -1 1 298.342 3.311 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3CCCC[C@H]3F)c12 ZINC001226487129 817372612 /nfs/dbraw/zinc/37/26/12/817372612.db2.gz VHWFALNYUOKBDT-VXGBXAGGSA-N -1 1 292.306 3.467 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@H](C)c2cccc(F)c2)c1Cl ZINC001227111799 817561118 /nfs/dbraw/zinc/56/11/18/817561118.db2.gz QUGAEBSLAPTZOX-MRVPVSSYSA-N -1 1 282.702 3.423 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001227168678 817578654 /nfs/dbraw/zinc/57/86/54/817578654.db2.gz KZLIKPVXCJMGSZ-YRGRVCCFSA-N -1 1 292.375 3.425 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H](C)c1ccccc1 ZINC001227168139 817578859 /nfs/dbraw/zinc/57/88/59/817578859.db2.gz FOGZSLULYLKTKZ-LBPRGKRZSA-N -1 1 286.327 3.361 20 0 CGADMM Cc1cc(C(=O)[O-])cc(-c2cccc3cncn32)c1 ZINC001243179175 823275116 /nfs/dbraw/zinc/27/51/16/823275116.db2.gz TYWPBMCDSOZQJW-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM COc1ccccc1[C@H](C)Oc1[n-]c(=S)ncc1F ZINC001227383828 817636462 /nfs/dbraw/zinc/63/64/62/817636462.db2.gz RWJZMCMUTLWUKP-QMMMGPOBSA-N -1 1 280.324 3.053 20 0 CGADMM Cc1ccc(OC[C@@H](C)Oc2[n-]c(=S)ncc2F)cc1 ZINC001227385031 817636798 /nfs/dbraw/zinc/63/67/98/817636798.db2.gz FSDVZBKRZJWGSS-SNVBAGLBSA-N -1 1 294.351 3.059 20 0 CGADMM Cc1cccc2c1[C@@H](Oc1[n-]c(=O)nc3c1CO[C@H]3C)CC2 ZINC001227709470 817699391 /nfs/dbraw/zinc/69/93/91/817699391.db2.gz DEPZDKHLZMQGPR-GWCFXTLKSA-N -1 1 298.342 3.148 20 0 CGADMM C[C@@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1ccc(F)cc1 ZINC001227709239 817699701 /nfs/dbraw/zinc/69/97/01/817699701.db2.gz CANVVWNLJFWKQY-BDAKNGLRSA-N -1 1 290.294 3.053 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCCC[C@@H]1OC ZINC001228556296 817938311 /nfs/dbraw/zinc/93/83/11/817938311.db2.gz NHXQSTAWWOCQRU-KBPBESRZSA-N -1 1 294.347 3.027 20 0 CGADMM [O-]c1cccnc1-c1ncccc1O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001231200289 818056594 /nfs/dbraw/zinc/05/65/94/818056594.db2.gz LGTMHCXYYNKITR-YWPYICTPSA-N -1 1 282.343 3.417 20 0 CGADMM Oc1cc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)ccc1Cl ZINC001231730743 818160873 /nfs/dbraw/zinc/16/08/73/818160873.db2.gz FRSFCRHDZPWDJJ-DOMZBBRYSA-N -1 1 281.783 3.047 20 0 CGADMM Oc1cc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)ccc1Cl ZINC001231730745 818161700 /nfs/dbraw/zinc/16/17/00/818161700.db2.gz FRSFCRHDZPWDJJ-IUODEOHRSA-N -1 1 281.783 3.047 20 0 CGADMM C[C@]1(F)CCN(Cc2ccc(Cl)c([O-])c2)C[C@@H]1F ZINC001231733434 818162250 /nfs/dbraw/zinc/16/22/50/818162250.db2.gz UCDFDNGCMOTGGR-STQMWFEESA-N -1 1 275.726 3.318 20 0 CGADMM Cc1ncccc1CN(C)Cc1cccc([O-])c1Cl ZINC001232789870 818441282 /nfs/dbraw/zinc/44/12/82/818441282.db2.gz VCIHJKGMDJPNOM-UHFFFAOYSA-N -1 1 276.767 3.381 20 0 CGADMM COc1ccc(CN(C)Cc2ccc(F)c([O-])c2F)cc1 ZINC001232933503 818476280 /nfs/dbraw/zinc/47/62/80/818476280.db2.gz JTNCIHZLAMMCDS-UHFFFAOYSA-N -1 1 293.313 3.311 20 0 CGADMM C[N@H+](Cc1ccc(F)c([O-])c1F)CC1CCCC1 ZINC001232936765 818477428 /nfs/dbraw/zinc/47/74/28/818477428.db2.gz GAJHJQBYUKUJHR-UHFFFAOYSA-N -1 1 255.308 3.292 20 0 CGADMM [O-]c1cc(CN2CCC(OC3CCC3)CC2)cc(F)c1F ZINC001232971271 818488892 /nfs/dbraw/zinc/48/88/92/818488892.db2.gz ZQAMAJZERUACEX-UHFFFAOYSA-N -1 1 297.345 3.204 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCCC[C@@H]1C(F)(F)F ZINC001233035572 818505058 /nfs/dbraw/zinc/50/50/58/818505058.db2.gz GHURTZSMSGZRKU-SNVBAGLBSA-N -1 1 294.704 3.357 20 0 CGADMM Nc1cc(C(F)(F)F)cnc1-c1ccc([O-])c(F)c1F ZINC001243341060 823354379 /nfs/dbraw/zinc/35/43/79/823354379.db2.gz YZDHJBWIDWRPPT-UHFFFAOYSA-N -1 1 290.191 3.333 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OC[C@H](CC)OC ZINC001233649633 818669034 /nfs/dbraw/zinc/66/90/34/818669034.db2.gz BGKRQRKAZGUVKP-LBPRGKRZSA-N -1 1 266.337 3.179 20 0 CGADMM COc1cc(C)c(-c2ccc([O-])c(F)c2F)cn1 ZINC001243341654 823355034 /nfs/dbraw/zinc/35/50/34/823355034.db2.gz BKLHIIHZMBGWQO-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COC(=O)c1ccc(OC)cc1-c1ccc([O-])c(F)c1F ZINC001243342134 823357177 /nfs/dbraw/zinc/35/71/77/823357177.db2.gz CSAKKDLNZBNRSM-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM C[S@@](=O)c1ccccc1-c1ccc([O-])c(F)c1F ZINC001243343117 823358271 /nfs/dbraw/zinc/35/82/71/823358271.db2.gz WLLDGVTZEBSRBY-GOSISDBHSA-N -1 1 268.284 3.075 20 0 CGADMM O=C1Nc2c(cccc2-c2ccc([O-])c(F)c2F)C12CC2 ZINC001243343386 823358908 /nfs/dbraw/zinc/35/89/08/823358908.db2.gz XJOGXAFYKIFFFQ-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM O=C1OCc2c1cccc2-c1ccc([O-])c(F)c1F ZINC001243342953 823359318 /nfs/dbraw/zinc/35/93/18/823359318.db2.gz RIPFYUDKKPIBHH-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM C[C@H](Oc1nc2sccc2[n-]1)c1nccs1 ZINC001234848457 818932401 /nfs/dbraw/zinc/93/24/01/818932401.db2.gz PTHZXYWLXBVPEG-LURJTMIESA-N -1 1 251.336 3.221 20 0 CGADMM Cc1noc(-c2ccc(-c3c(F)ccc(C)c3[O-])nc2)n1 ZINC001236389294 819446307 /nfs/dbraw/zinc/44/63/07/819446307.db2.gz ATMSJSXJWAUOHW-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM COc1cc2nc[nH]c2cc1-c1cc(F)cc(F)c1[O-] ZINC001243503274 823422165 /nfs/dbraw/zinc/42/21/65/823422165.db2.gz FNSDSNMOAVOPIV-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM COc1ccc(-c2cc(F)cc(F)c2[O-])c(C)n1 ZINC001243503879 823422646 /nfs/dbraw/zinc/42/26/46/823422646.db2.gz VXFIJAYBBGIFIE-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM Cn1cnc2cccc(-c3cc(F)cc(F)c3[O-])c21 ZINC001243507215 823424598 /nfs/dbraw/zinc/42/45/98/823424598.db2.gz TUXJMSYMAIBDTB-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CO[C@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238150404 819943233 /nfs/dbraw/zinc/94/32/33/819943233.db2.gz TXCQTDGNNVYUKA-NSHDSACASA-N -1 1 287.762 3.186 20 0 CGADMM Cc1noc(-c2cccnc2-c2ccc(Cl)c([O-])c2)n1 ZINC001243578936 823453046 /nfs/dbraw/zinc/45/30/46/823453046.db2.gz MUMWGKPPFSXVLS-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CNC(=O)Cc1ccc(-c2ccc(Cl)c([O-])c2)cc1 ZINC001243580902 823453670 /nfs/dbraw/zinc/45/36/70/823453670.db2.gz FZNBHZBOKVWIKM-UHFFFAOYSA-N -1 1 275.735 3.001 20 0 CGADMM Cc1cn2cc(-c3ccc(Cl)c([O-])c3)ncc2n1 ZINC001243581064 823453701 /nfs/dbraw/zinc/45/37/01/823453701.db2.gz LNIVITGTHFNUMQ-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM NC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)c2cc[nH]c21 ZINC001243581776 823454043 /nfs/dbraw/zinc/45/40/43/823454043.db2.gz HUNKWDSBKZPGLI-UHFFFAOYSA-N -1 1 286.718 3.293 20 0 CGADMM O=C1CCCN1c1ccc(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243583469 823454694 /nfs/dbraw/zinc/45/46/94/823454694.db2.gz OSGNFFSDXRDBRB-UHFFFAOYSA-N -1 1 288.734 3.234 20 0 CGADMM CC(=O)Nc1cc(-c2ccc(Cl)c([O-])c2)ccn1 ZINC001243584675 823456333 /nfs/dbraw/zinc/45/63/33/823456333.db2.gz XUTGNHQBFIZGPA-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM Cc1nc(-c2ccc(C(=O)[O-])cc2F)cc2[nH]ccc21 ZINC001239250730 820240025 /nfs/dbraw/zinc/24/00/25/820240025.db2.gz RDOGGOSOOLPYGP-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM O=C([O-])c1ccc(-c2cc3nc[nH]c3cc2F)c(F)c1 ZINC001239266281 820246717 /nfs/dbraw/zinc/24/67/17/820246717.db2.gz ATTPUTQEADRESQ-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM COCc1nc(C)cc(-c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001243610767 823466904 /nfs/dbraw/zinc/46/69/04/823466904.db2.gz RUCLZKUWCMYMIC-UHFFFAOYSA-N -1 1 298.264 3.323 20 0 CGADMM [O-]c1ccc(F)cc1-c1ccnc(-c2cccnc2)n1 ZINC001240694016 821248790 /nfs/dbraw/zinc/24/87/90/821248790.db2.gz MMFSULOMQJVGOR-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM COC(OC)c1cc(C)cnc1-c1cc(F)ccc1[O-] ZINC001240693476 821249173 /nfs/dbraw/zinc/24/91/73/821249173.db2.gz CWFJMDNJXYZLNI-UHFFFAOYSA-N -1 1 277.295 3.193 20 0 CGADMM CC(C)(C)NC(=O)c1ccnc(-c2cc(F)ccc2[O-])c1 ZINC001240693412 821249665 /nfs/dbraw/zinc/24/96/65/821249665.db2.gz APTWKKCEJFZFCD-UHFFFAOYSA-N -1 1 288.322 3.122 20 0 CGADMM [O-]c1ccc(F)cc1-c1ncnc2c(F)cccc21 ZINC001240693819 821249990 /nfs/dbraw/zinc/24/99/90/821249990.db2.gz ZMLWEIJPTJZRCP-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1cccc2ncnc(-c3cc(F)ccc3[O-])c21 ZINC001240695613 821252236 /nfs/dbraw/zinc/25/22/36/821252236.db2.gz OHNLAPXSDREAGG-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM Cc1cc2ccncc2nc1-c1cc(F)ccc1[O-] ZINC001240696205 821252592 /nfs/dbraw/zinc/25/25/92/821252592.db2.gz GXRNLFGYODSFIM-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM Cc1nnc(-c2cc(F)ccc2[O-])c2ccccc12 ZINC001240696018 821252713 /nfs/dbraw/zinc/25/27/13/821252713.db2.gz WNGMBNXGRDZODH-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM CC1(C)CC(=O)Nc2nc(-c3cc(F)ccc3[O-])ccc21 ZINC001240696726 821253871 /nfs/dbraw/zinc/25/38/71/821253871.db2.gz WUCWQSMDYUJOFF-UHFFFAOYSA-N -1 1 286.306 3.213 20 0 CGADMM CN(C)c1nc(-c2ccc([O-])c(F)c2)nc2ccccc21 ZINC001240783004 821321006 /nfs/dbraw/zinc/32/10/06/821321006.db2.gz MQLAZAJVATUNLC-UHFFFAOYSA-N -1 1 283.306 3.208 20 0 CGADMM [O-]c1ccc(-c2ncnc3c2SCCC3)cc1F ZINC001240783300 821323744 /nfs/dbraw/zinc/32/37/44/821323744.db2.gz TXNYMZJENUEJPI-UHFFFAOYSA-N -1 1 262.309 3.027 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(OC)c(C)c3)ccc2[n-]1 ZINC001240864779 821379667 /nfs/dbraw/zinc/37/96/67/821379667.db2.gz HJIWUQGTULSDMA-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(OC)c(C)c3)cc2[n-]1 ZINC001240864779 821379676 /nfs/dbraw/zinc/37/96/76/821379676.db2.gz HJIWUQGTULSDMA-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM [O-]c1cc(F)c(-c2nccc3ccncc32)c(F)c1 ZINC001241116901 821572088 /nfs/dbraw/zinc/57/20/88/821572088.db2.gz GXFFDBDVRVDYNO-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1ccc2ncc(-c3c(F)cc([O-])cc3F)nc2c1 ZINC001241118183 821572637 /nfs/dbraw/zinc/57/26/37/821572637.db2.gz LXNIGORDTHPMON-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM CSc1ncc(C)c(-c2c(F)cc([O-])cc2F)n1 ZINC001241117555 821572880 /nfs/dbraw/zinc/57/28/80/821572880.db2.gz RYFXGUXCVVDPLZ-UHFFFAOYSA-N -1 1 268.288 3.158 20 0 CGADMM [O-]c1cc(F)c(-c2ncnc3c2CCCC3)c(F)c1 ZINC001241117585 821573323 /nfs/dbraw/zinc/57/33/23/821573323.db2.gz SLSCFXVJKSIHGZ-UHFFFAOYSA-N -1 1 262.259 3.006 20 0 CGADMM O=C1CCN1c1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241121646 821577388 /nfs/dbraw/zinc/57/73/88/821577388.db2.gz PNEKEOCSMAKVQQ-UHFFFAOYSA-N -1 1 275.254 3.074 20 0 CGADMM O=C1OCc2c1cccc2-c1c(F)cc([O-])cc1F ZINC001241120998 821577574 /nfs/dbraw/zinc/57/75/74/821577574.db2.gz XMQZCNGONVMJTC-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM C[C@@H]1C(=O)Nc2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241122496 821578173 /nfs/dbraw/zinc/57/81/73/821578173.db2.gz PWDYZKIZWUXYDE-ZETCQYMHSA-N -1 1 275.254 3.393 20 0 CGADMM COC(=O)c1c(OC)cccc1-c1c(F)cc([O-])cc1F ZINC001241122978 821580100 /nfs/dbraw/zinc/58/01/00/821580100.db2.gz PZVDOKGUSXKJBI-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM C[C@H]1Oc2ccc(-c3c(F)cc([O-])cc3F)cc2NC1=O ZINC001241122717 821580346 /nfs/dbraw/zinc/58/03/46/821580346.db2.gz WTGKLTDBHFYDBF-SSDOTTSWSA-N -1 1 291.253 3.057 20 0 CGADMM CCOC(=O)c1cc(-c2c(F)cc([O-])cc2F)cnc1F ZINC001241124590 821581484 /nfs/dbraw/zinc/58/14/84/821581484.db2.gz JJURJDLNLJVKKQ-UHFFFAOYSA-N -1 1 297.232 3.048 20 0 CGADMM O=C([O-])c1cc(-c2cc3nc[nH]c3cc2F)ccc1F ZINC001241246944 821668137 /nfs/dbraw/zinc/66/81/37/821668137.db2.gz KAZHRAHKCZOANU-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM Cc1noc(-c2ccnc(-c3c(F)ccc([O-])c3F)c2)n1 ZINC001241289514 821706132 /nfs/dbraw/zinc/70/61/32/821706132.db2.gz ABAOMRXGYBNHAH-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM CCOC(=O)c1cc(C)nc(-c2c(F)ccc([O-])c2F)c1 ZINC001241290797 821708164 /nfs/dbraw/zinc/70/81/64/821708164.db2.gz FBIBRDWBMQHVAZ-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM CC(C)Cn1cccc(-c2ccc(F)cc2[O-])c1=O ZINC001242219814 822916336 /nfs/dbraw/zinc/91/63/36/822916336.db2.gz RWVNCRNNINIYHY-UHFFFAOYSA-N -1 1 261.296 3.016 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ncnc2cc[nH]c21 ZINC001242126138 822886577 /nfs/dbraw/zinc/88/65/77/822886577.db2.gz GSENWWHSBYAFNK-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM Cc1cncnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242126162 822887282 /nfs/dbraw/zinc/88/72/82/822887282.db2.gz HRUBITJIVTUWLK-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM Cc1ncc(-c2cc(C(F)(F)F)ccc2[O-])nc1C ZINC001242131177 822888562 /nfs/dbraw/zinc/88/85/62/822888562.db2.gz FQMILKWYQDABCF-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM COc1ncnc(-c2cc(C(F)(F)F)ccc2[O-])c1C ZINC001242131297 822888989 /nfs/dbraw/zinc/88/89/89/822888989.db2.gz GUMWXIOXUHGYBA-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM Nc1cccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242151419 822896178 /nfs/dbraw/zinc/89/61/78/822896178.db2.gz NFUKBMPOGFQHGJ-UHFFFAOYSA-N -1 1 254.211 3.055 20 0 CGADMM CCOc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242166017 822900992 /nfs/dbraw/zinc/90/09/92/822900992.db2.gz KDTNLFIRQXPNLT-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM Cc1nc2cccc(-c3cccc(CC(=O)[O-])c3)c2[nH]1 ZINC001242263578 822930241 /nfs/dbraw/zinc/93/02/41/822930241.db2.gz KQZDPLKAARMQEI-UHFFFAOYSA-N -1 1 266.300 3.165 20 0 CGADMM COc1nc(-c2cccc(C)c2[O-])ncc1C(F)(F)F ZINC001242344074 822957414 /nfs/dbraw/zinc/95/74/14/822957414.db2.gz AHMYFYUTXBQCHR-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM COC(=O)c1cc2ncoc2c(-c2cccc(F)c2[O-])c1 ZINC001242351898 822961777 /nfs/dbraw/zinc/96/17/77/822961777.db2.gz AGEDNEWEULOHTN-UHFFFAOYSA-N -1 1 287.246 3.126 20 0 CGADMM COc1nc2[nH]ccc2cc1-c1cccc(F)c1[O-] ZINC001242352528 822962751 /nfs/dbraw/zinc/96/27/51/822962751.db2.gz XGJKVQJLZFMSGC-UHFFFAOYSA-N -1 1 258.252 3.035 20 0 CGADMM C[C@H]1Oc2ccc(-c3cccc(Cl)c3[O-])cc2NC1=O ZINC001242364113 822968301 /nfs/dbraw/zinc/96/83/01/822968301.db2.gz CJBLCIGMXLPPJZ-MRVPVSSYSA-N -1 1 289.718 3.432 20 0 CGADMM NC(=O)c1c(F)cc(-c2cccc(Cl)c2[O-])cc1F ZINC001242367163 822969455 /nfs/dbraw/zinc/96/94/55/822969455.db2.gz HWYZBYRVBKIDNU-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM COc1cc(-c2cccc(Cl)c2[O-])c(OC)cn1 ZINC001242368272 822970302 /nfs/dbraw/zinc/97/03/02/822970302.db2.gz WWRAFHIOZABHCY-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM Cc1noc(C2CC2)c1[N-]C(=O)c1nc(C2CC2)cs1 ZINC001346736366 936858856 /nfs/dbraw/zinc/85/88/56/936858856.db2.gz ROCQQJHHGZOWFO-UHFFFAOYSA-N -1 1 289.360 3.447 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@H](C)CCO1 ZINC001347700974 936892863 /nfs/dbraw/zinc/89/28/63/936892863.db2.gz QOSVDDGHNITEFV-CHWSQXEVSA-N -1 1 299.370 3.185 20 0 CGADMM CC(C)CCC[C@@H](NCc1cc2cnccc2o1)C(=O)[O-] ZINC001353956233 937084241 /nfs/dbraw/zinc/08/42/41/937084241.db2.gz ZFHWTEFEUASYJV-CQSZACIVSA-N -1 1 290.363 3.197 20 0 CGADMM CC(C)(NC(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000227507846 926877825 /nfs/dbraw/zinc/87/78/25/926877825.db2.gz NQNQTGPZEYVOKU-UHFFFAOYSA-N -1 1 298.180 3.073 20 0 CGADMM COc1ccc([C@@H](C)NCc2cc(C(=O)[O-])oc2C)cc1 ZINC000234955761 928211209 /nfs/dbraw/zinc/21/12/09/928211209.db2.gz QBYDOEDTOWTKOI-SNVBAGLBSA-N -1 1 289.331 3.146 20 0 CGADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1cccc(F)c1F ZINC001545918941 937310485 /nfs/dbraw/zinc/31/04/85/937310485.db2.gz HSDWOUNWZPUUEG-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001441140303 937336905 /nfs/dbraw/zinc/33/69/05/937336905.db2.gz XVSLRTHKFBUEOF-NEPJUHHUSA-N -1 1 276.380 3.122 20 0 CGADMM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc([O-])cn1 ZINC001442751518 937343871 /nfs/dbraw/zinc/34/38/71/937343871.db2.gz BBVCDFWYFGKHPY-TZMCWYRMSA-N -1 1 290.407 3.370 20 0 CGADMM C[C@H](CCNC(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001448524878 937375453 /nfs/dbraw/zinc/37/54/53/937375453.db2.gz XGTLYMDFMSPMRY-GFCCVEGCSA-N -1 1 287.334 3.455 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C)c2ccccc12 ZINC001450490889 937386061 /nfs/dbraw/zinc/38/60/61/937386061.db2.gz GHSCODYQEQFCOG-UHFFFAOYSA-N -1 1 281.315 3.138 20 0 CGADMM CC(C)c1scnc1NC(=O)c1cccc([O-])c1F ZINC001450543377 937386488 /nfs/dbraw/zinc/38/64/88/937386488.db2.gz AGYNRTOBUYWOBL-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM Cc1nc(CCC(=O)Nc2cc([O-])c(F)cc2F)cs1 ZINC001450901887 937387427 /nfs/dbraw/zinc/38/74/27/937387427.db2.gz WUEOCFHNQVOQTM-UHFFFAOYSA-N -1 1 298.314 3.007 20 0 CGADMM C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C(C)(C)C ZINC001452739642 937398106 /nfs/dbraw/zinc/39/81/06/937398106.db2.gz MTOFCZKOSQEORM-SNVBAGLBSA-N -1 1 287.359 3.415 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001453017048 937400124 /nfs/dbraw/zinc/40/01/24/937400124.db2.gz QPEGBJVQYWNFBL-BYCMXARLSA-N -1 1 283.302 3.056 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1nc(C2CC2)cs1 ZINC001454768243 937412272 /nfs/dbraw/zinc/41/22/72/937412272.db2.gz JKXFWIHRVPGLMQ-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H]1C1CCCC1 ZINC001455451735 937417650 /nfs/dbraw/zinc/41/76/50/937417650.db2.gz PWXJWYOYSKCZLY-QWHCGFSZSA-N -1 1 293.794 3.488 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)c2ccc(F)cc2C)c([O-])c1 ZINC001455538967 937418823 /nfs/dbraw/zinc/41/88/23/937418823.db2.gz VSHUSDOXKAZOPB-LLVKDONJSA-N -1 1 288.322 3.034 20 0 CGADMM C/C=C/C=C/C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001456614152 937433148 /nfs/dbraw/zinc/43/31/48/937433148.db2.gz QRPOQFNIZDURSJ-MQQKCMAXSA-N -1 1 255.676 3.256 20 0 CGADMM Cc1nc(SC[C@@H]2C[C@H]3C=C[C@@H]2C3)[n-]c(=O)c1C ZINC001459016718 937478152 /nfs/dbraw/zinc/47/81/52/937478152.db2.gz NHFRQVHZZXVMTD-TUAOUCFPSA-N -1 1 262.378 3.103 20 0 CGADMM C[C@H](Oc1cc([O-])cc2oc(=O)ccc12)C1CCCC1 ZINC001229133837 932101702 /nfs/dbraw/zinc/10/17/02/932101702.db2.gz BSJWCQXRVOLIID-JTQLQIEISA-N -1 1 274.316 3.456 20 0 CGADMM C[C@@H](Oc1cc([O-])cc2oc(=O)ccc12)c1ccccn1 ZINC001229135537 932102746 /nfs/dbraw/zinc/10/27/46/932102746.db2.gz NESRTLSIHAKFEO-SNVBAGLBSA-N -1 1 283.283 3.034 20 0 CGADMM C[C@H]1CC[C@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229136603 932103767 /nfs/dbraw/zinc/10/37/67/932103767.db2.gz WTSCMAHBNUPQGW-ONGXEEELSA-N -1 1 260.289 3.066 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@H](CC)C(=O)CC ZINC001229476290 932158101 /nfs/dbraw/zinc/15/81/01/932158101.db2.gz GLNZIWFHQOFYPU-CQSZACIVSA-N -1 1 264.321 3.121 20 0 CGADMM FC1(F)CC(Oc2nc3c(cc(Cl)nc3Cl)[n-]2)C1 ZINC001231044756 932664640 /nfs/dbraw/zinc/66/46/40/932664640.db2.gz OJDOGBLETYFNLN-UHFFFAOYSA-N -1 1 294.088 3.441 20 0 CGADMM O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ncc2ccccc2c1[O-] ZINC001303698206 932831730 /nfs/dbraw/zinc/83/17/30/932831730.db2.gz LGYHQWPJONDEIC-YWPYICTPSA-N -1 1 296.370 3.106 20 0 CGADMM Cc1ncccc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001304284958 932848380 /nfs/dbraw/zinc/84/83/80/932848380.db2.gz VHZIJXYACQOUCX-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM C[C@H](c1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1)C(F)(F)F ZINC001413842149 933299081 /nfs/dbraw/zinc/29/90/81/933299081.db2.gz DCBGEFHAUYSYMU-SSDOTTSWSA-N -1 1 299.252 3.033 20 0 CGADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001464077911 937685956 /nfs/dbraw/zinc/68/59/56/937685956.db2.gz NMYHARMMAMHGAS-WFASDCNBSA-N -1 1 289.375 3.212 20 0 CGADMM CCCCN(CC(F)(F)F)C(=O)c1ccc(F)c([O-])c1 ZINC001464398161 937690084 /nfs/dbraw/zinc/69/00/84/937690084.db2.gz IEDCBCAARCHKGR-UHFFFAOYSA-N -1 1 293.260 3.336 20 0 CGADMM C[C@H]1CCC[C@H](CNC(=O)c2ccc(F)c([O-])c2)C1 ZINC001464476062 937691149 /nfs/dbraw/zinc/69/11/49/937691149.db2.gz WMNUSVXEKJLSCP-QWRGUYRKSA-N -1 1 265.328 3.087 20 0 CGADMM C[C@@H](CCC(C)(C)C)NC(=O)c1cccc([O-])c1F ZINC001465258589 937699386 /nfs/dbraw/zinc/69/93/86/937699386.db2.gz ZRSMMZYPRQODPV-JTQLQIEISA-N -1 1 267.344 3.476 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2Cc3ccccc3[C@@H]2C)c1 ZINC001470536382 937754817 /nfs/dbraw/zinc/75/48/17/937754817.db2.gz XULITWVBQORQLD-LBPRGKRZSA-N -1 1 295.338 3.230 20 0 CGADMM Cc1cccc([C@H](NC(=O)c2ccc([O-])cn2)C(C)C)c1 ZINC001470964040 937759676 /nfs/dbraw/zinc/75/96/76/937759676.db2.gz YRDCYLOUARGOBI-MRXNPFEDSA-N -1 1 284.359 3.223 20 0 CGADMM C[C@@H]1CC/C(=C\C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001472042025 937771999 /nfs/dbraw/zinc/77/19/99/937771999.db2.gz YMPVNLKXFGJZJE-UEUZTHOGSA-N -1 1 295.329 3.076 20 0 CGADMM C[C@@H]1CC=CC[C@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC001472322204 937775221 /nfs/dbraw/zinc/77/52/21/937775221.db2.gz QPETYVCHNZARTQ-BXKDBHETSA-N -1 1 265.740 3.130 20 0 CGADMM CN(C(=O)c1cccc([O-])c1F)[C@@H]1CCc2ccccc2C1 ZINC001472355617 937775801 /nfs/dbraw/zinc/77/58/01/937775801.db2.gz AMUULDGAKNSHMV-CQSZACIVSA-N -1 1 299.345 3.161 20 0 CGADMM CS[C@H]1CC[C@@H]([N@@H+](C)Cc2c(F)ccc(O)c2F)C1 ZINC001325010097 934881041 /nfs/dbraw/zinc/88/10/41/934881041.db2.gz FXQBNBSQAZXNEO-ZJUUUORDSA-N -1 1 287.375 3.386 20 0 CGADMM CC[C@H](NCc1cc(C(=O)[O-])n[nH]1)c1cccc(Cl)c1 ZINC001334026976 936080264 /nfs/dbraw/zinc/08/02/64/936080264.db2.gz UAGYVVSCCJAPBL-LBPRGKRZSA-N -1 1 293.754 3.002 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCC[C@H](F)C1 ZINC001335017388 936125724 /nfs/dbraw/zinc/12/57/24/936125724.db2.gz IWIRZYGCMIMKMW-SFYZADRCSA-N -1 1 273.254 3.137 20 0 CGADMM Cc1noc([N-][C@H](C)c2nc(C(F)(F)F)cs2)n1 ZINC001336621544 936201353 /nfs/dbraw/zinc/20/13/53/936201353.db2.gz PDFOTJQSELYWBR-SCSAIBSYSA-N -1 1 278.259 3.026 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1occc1Br ZINC001336627727 936202301 /nfs/dbraw/zinc/20/23/01/936202301.db2.gz JHBLEJATJHYKHR-UHFFFAOYSA-N -1 1 299.124 3.406 20 0 CGADMM Cc1cccc(F)c1NC(=O)c1cccc([O-])c1F ZINC001546240922 937954913 /nfs/dbraw/zinc/95/49/13/937954913.db2.gz KPACFKJVRJHSOB-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM O=C(Cc1ccc(C2CCC2)cc1)[N-]O[C@H]1CCCCO1 ZINC001520931081 938028821 /nfs/dbraw/zinc/02/88/21/938028821.db2.gz QSQMZTPPQJWKJZ-KRWDZBQOSA-N -1 1 289.375 3.071 20 0 CGADMM O=C([N-]c1ccc(F)c(F)c1F)c1ocnc1C(F)F ZINC001530636685 938078678 /nfs/dbraw/zinc/07/86/78/938078678.db2.gz PPIICHIOZBCCOT-UHFFFAOYSA-N -1 1 292.163 3.282 20 0 CGADMM CCOC(=O)c1cnc(NC(=O)CCCC[C@@H](C)CC)[n-]1 ZINC001540013300 938127524 /nfs/dbraw/zinc/12/75/24/938127524.db2.gz FGLPUSCQFAZNNZ-NSHDSACASA-N -1 1 295.383 3.131 20 0 CGADMM CCOC(=O)c1c[n-]c(NC(=O)CCCC[C@@H](C)CC)n1 ZINC001540013300 938127525 /nfs/dbraw/zinc/12/75/25/938127525.db2.gz FGLPUSCQFAZNNZ-NSHDSACASA-N -1 1 295.383 3.131 20 0 CGADMM O=C(Nc1ccc(-c2nccs2)cc1)c1ccc([O-])cn1 ZINC001540478837 938131523 /nfs/dbraw/zinc/13/15/23/938131523.db2.gz NADKETNLAQFCNU-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM CCN(Cc1ccccc1Cl)C(=O)c1ccc([O-])cn1 ZINC001540716649 938133459 /nfs/dbraw/zinc/13/34/59/938133459.db2.gz GPUMVTWJKHRZKO-UHFFFAOYSA-N -1 1 290.750 3.103 20 0 CGADMM CC(C)(C)[C@H](NC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC001544283963 938144359 /nfs/dbraw/zinc/14/43/59/938144359.db2.gz UVUPGXNCOZOQKJ-NSHDSACASA-N -1 1 293.260 3.238 20 0 CGADMM CC[C@H](NC(=O)c1ncccc1[O-])C(C)(C)c1ccccc1 ZINC001544349313 938144842 /nfs/dbraw/zinc/14/48/42/938144842.db2.gz WPRRQUHMXIAKDS-HNNXBMFYSA-N -1 1 298.386 3.273 20 0 CGADMM CC[C@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(C)cc1 ZINC001545012263 938148181 /nfs/dbraw/zinc/14/81/81/938148181.db2.gz QVSNHXMDXDNVJP-AWEZNQCLSA-N -1 1 284.359 3.285 20 0 CGADMM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2ccc([O-])cn2)C1 ZINC001557155301 938208191 /nfs/dbraw/zinc/20/81/91/938208191.db2.gz DWXXXJMCJXTESU-TZMCWYRMSA-N -1 1 288.391 3.076 20 0 CGADMM C[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001558209596 938214107 /nfs/dbraw/zinc/21/41/07/938214107.db2.gz VQZLCGICIZBZLW-PWSUYJOCSA-N -1 1 281.783 3.488 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H]2C[C@H]2CC)n1 ZINC001559324283 938225268 /nfs/dbraw/zinc/22/52/68/938225268.db2.gz KJUJVQZWCNBNHH-ZJUUUORDSA-N -1 1 252.383 3.273 20 0 CGADMM O=C([O-])CC[C@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328322062 951125581 /nfs/dbraw/zinc/12/55/81/951125581.db2.gz FJUMDFXSKRKMSW-LLVKDONJSA-N -1 1 297.782 3.122 20 0 CGADMM O=C([O-])CC[C@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328322062 951125589 /nfs/dbraw/zinc/12/55/89/951125589.db2.gz FJUMDFXSKRKMSW-LLVKDONJSA-N -1 1 297.782 3.122 20 0 CGADMM C[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccc(C#N)cc1 ZINC000235206732 960397220 /nfs/dbraw/zinc/39/72/20/960397220.db2.gz FVPWPEOEIOMXQH-MNOVXSKESA-N -1 1 284.315 3.261 20 0 CGADMM Cc1cc([C@H](C)NCc2cc(C(=O)[O-])oc2C)c(C)o1 ZINC000235526029 960453217 /nfs/dbraw/zinc/45/32/17/960453217.db2.gz AAYRZDLZSHLURZ-VIFPVBQESA-N -1 1 277.320 3.347 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC001565718496 960815766 /nfs/dbraw/zinc/81/57/66/960815766.db2.gz JWAKWWREJMHESB-KRWDZBQOSA-N -1 1 289.350 3.494 20 0 CGADMM C[C@H]1CC(NC(=O)c2cccc([O-])c2F)C[C@H](C)C1 ZINC001565824740 960840478 /nfs/dbraw/zinc/84/04/78/960840478.db2.gz PWQLXMQOSUXSOI-NXEZZACHSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cc(F)ccc1[O-] ZINC001566146793 960895368 /nfs/dbraw/zinc/89/53/68/960895368.db2.gz FSZBSHVLQREYGP-GXTWGEPZSA-N -1 1 277.339 3.230 20 0 CGADMM CC(C)=CCNC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001567589667 961368760 /nfs/dbraw/zinc/36/87/60/961368760.db2.gz LNGVJDXMAGRBGT-UHFFFAOYSA-N -1 1 299.326 3.161 20 0 CGADMM CC[C@H](NC(=O)c1cccc([O-])c1F)C1CCCC1 ZINC001569008715 961663071 /nfs/dbraw/zinc/66/30/71/961663071.db2.gz DQSHKSNHFLCFRK-LBPRGKRZSA-N -1 1 265.328 3.230 20 0 CGADMM O=C(NC[C@H]1CCC[C@H]1c1ccccc1)c1ncccc1[O-] ZINC001569641431 961806411 /nfs/dbraw/zinc/80/64/11/961806411.db2.gz UZKYYXAGQRLSOD-CABCVRRESA-N -1 1 296.370 3.101 20 0 CGADMM CCC(CC)N(C(=O)c1cccc([O-])c1F)C1CC1 ZINC001584437950 962924568 /nfs/dbraw/zinc/92/45/68/962924568.db2.gz YDPWABFURMLCMR-UHFFFAOYSA-N -1 1 265.328 3.325 20 0 CGADMM CC[C@H]1CCC[C@@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001586481012 963109266 /nfs/dbraw/zinc/10/92/66/963109266.db2.gz PRFAHOIKWZLUBT-CMPLNLGQSA-N -1 1 265.328 3.230 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])cn1)c1cc(C)ccc1C ZINC001587393206 963189380 /nfs/dbraw/zinc/18/93/80/963189380.db2.gz CGMNJVXRRJBYON-HNNXBMFYSA-N -1 1 284.359 3.285 20 0 CGADMM CN(Cc1ccc(F)cc1F)C(=O)c1cccc([O-])c1F ZINC001587843892 963225510 /nfs/dbraw/zinc/22/55/10/963225510.db2.gz STGSBAQYQASEHQ-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM C[C@H](CC(C)(C)CC(=O)[O-])N[C@H]1CCCC1(F)F ZINC001592446804 978128097 /nfs/dbraw/zinc/12/80/97/978128097.db2.gz RLKYYGDEKUFULK-ZJUUUORDSA-N -1 1 263.328 3.043 20 0 CGADMM CC[C@H]1CCN1Cc1ccc(C(=O)[O-])cc1Br ZINC001595467571 981155820 /nfs/dbraw/zinc/15/58/20/981155820.db2.gz GXXTWCLGMRUFHU-NSHDSACASA-N -1 1 298.180 3.132 20 0 CGADMM CC[C@H]1CN(Cc2ccc(C)c(C(=O)[O-])c2)C[C@H](CC)O1 ZINC001595486921 981230427 /nfs/dbraw/zinc/23/04/27/981230427.db2.gz GIZCKFJEECWAGK-GJZGRUSLSA-N -1 1 291.391 3.083 20 0 CGADMM CC[C@H]1c2ccccc2CCN1Cc1cncc(C(=O)[O-])c1 ZINC001595505004 981280612 /nfs/dbraw/zinc/28/06/12/981280612.db2.gz UNXKPUPIOIHJPJ-KRWDZBQOSA-N -1 1 296.370 3.289 20 0 CGADMM CCC(C)(C)CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001594809561 981928154 /nfs/dbraw/zinc/92/81/54/981928154.db2.gz ZJWJCQJHPAXZHH-UHFFFAOYSA-N -1 1 289.335 3.026 20 0 CGADMM Cc1[nH]c(CN2CCc3ccccc3[C@@H]2C)cc1C(=O)[O-] ZINC001599964473 985872333 /nfs/dbraw/zinc/87/23/33/985872333.db2.gz JWEZECKISIRSAT-LBPRGKRZSA-N -1 1 284.359 3.141 20 0 CGADMM CCc1[nH]c(CNCc2c(C)cccc2F)cc1C(=O)[O-] ZINC001597395390 987647158 /nfs/dbraw/zinc/64/71/58/987647158.db2.gz UDZKASGULHHYNG-UHFFFAOYSA-N -1 1 290.338 3.013 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1cnc(C)s1 ZINC001597767508 989221475 /nfs/dbraw/zinc/22/14/75/989221475.db2.gz PHKFZHRAUOHEOB-MRVPVSSYSA-N -1 1 294.376 3.156 20 0 CGADMM CC(C)[C@@H]1CCCN([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591086751 991603496 /nfs/dbraw/zinc/60/34/96/991603496.db2.gz DQSHUOYNHJKFDW-GHMZBOCLSA-N -1 1 282.409 3.270 20 0 CGADMM C[C@@H](NCc1ccccc1F)c1cc(C(=O)[O-])cs1 ZINC001593303545 994735154 /nfs/dbraw/zinc/73/51/54/994735154.db2.gz FWVABYNHQDLKCX-SECBINFHSA-N -1 1 279.336 3.436 20 0 CGADMM C[C@@H](c1ccc(F)nc1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001593698253 996162797 /nfs/dbraw/zinc/16/27/97/996162797.db2.gz VBJVQEZCMUFQLF-NSHDSACASA-N -1 1 288.322 3.112 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC[C@@H](C)[C@@H]1C ZINC001594384969 999460991 /nfs/dbraw/zinc/46/09/91/999460991.db2.gz YWGIOZTZHKDAJD-UTLUCORTSA-N -1 1 268.382 3.023 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC[C@@H](C)[C@@H]1C ZINC001594384967 999461010 /nfs/dbraw/zinc/46/10/10/999461010.db2.gz YWGIOZTZHKDAJD-KXUCPTDWSA-N -1 1 268.382 3.023 20 0 CGADMM CC12CC(C1)CN2C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000621217018 349474169 /nfs/dbraw/zinc/47/41/69/349474169.db2.gz GBGWYLBMBRZHMY-UHFFFAOYSA-N -1 1 285.265 3.036 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1C1CCCC1 ZINC000651586979 398256231 /nfs/dbraw/zinc/25/62/31/398256231.db2.gz UTXQEAHASRVGMG-NWDGAFQWSA-N -1 1 263.312 3.296 20 0 CGADMM CC[C@H](CSC)NC(=O)c1cc2ccccc2cc1[O-] ZINC000164120567 529415220 /nfs/dbraw/zinc/41/52/20/529415220.db2.gz OFIVVPXTCCILPA-CYBMUJFWSA-N -1 1 289.400 3.417 20 0 CGADMM CC[C@@H]1C[C@]1(NC(=O)c1cncc([O-])c1)c1cccc(C)c1 ZINC000355847862 529462065 /nfs/dbraw/zinc/46/20/65/529462065.db2.gz QGEZTMVSTZWLPZ-RDTXWAMCSA-N -1 1 296.370 3.151 20 0 CGADMM CC[C@@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1F ZINC000436948474 529545374 /nfs/dbraw/zinc/54/53/74/529545374.db2.gz WPVKGORYPPBXSS-ZDUSSCGKSA-N -1 1 287.334 3.282 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc(COC)cc2)n1 ZINC000338567629 214655874 /nfs/dbraw/zinc/65/58/74/214655874.db2.gz RBBAREADAROEAW-UHFFFAOYSA-N -1 1 290.388 3.183 20 0 CGADMM CCN(CCSC)C(=O)c1ccc2ccccc2c1[O-] ZINC000592741324 347014570 /nfs/dbraw/zinc/01/45/70/347014570.db2.gz NOOUHOZJTDVUKX-UHFFFAOYSA-N -1 1 289.400 3.371 20 0 CGADMM Cn1c2ccccc2nc1SCC(=O)c1ccc([O-])cc1 ZINC000007094221 344867077 /nfs/dbraw/zinc/86/70/77/344867077.db2.gz MERDOASMZWIVED-UHFFFAOYSA-N -1 1 298.367 3.254 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1c(F)cccc1Cl)CC2 ZINC000049903399 345076373 /nfs/dbraw/zinc/07/63/73/345076373.db2.gz ZVFODXPITARTPJ-NSHDSACASA-N -1 1 297.757 3.166 20 0 CGADMM O=C([O-])CCC1CCN(Cc2ccc(F)cc2F)CC1 ZINC000050926566 345085514 /nfs/dbraw/zinc/08/55/14/345085514.db2.gz MIURGEHFUUOXRX-UHFFFAOYSA-N -1 1 283.318 3.042 20 0 CGADMM CCCOCc1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000063580088 345248666 /nfs/dbraw/zinc/24/86/66/345248666.db2.gz PIHTXNLMEMVREQ-UHFFFAOYSA-N -1 1 274.345 3.064 20 0 CGADMM Cc1occc1CN(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000071265064 345402673 /nfs/dbraw/zinc/40/26/73/345402673.db2.gz SFCADXBWZAOZPY-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM Cc1ccc2nc(-c3cnc4ccccc4c3)[n-]c(=O)c2c1 ZINC000077591594 345578458 /nfs/dbraw/zinc/57/84/58/345578458.db2.gz JAYPBPGROUPUCI-UHFFFAOYSA-N -1 1 287.322 3.447 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2F)sc1C ZINC000091010634 345800531 /nfs/dbraw/zinc/80/05/31/345800531.db2.gz CZVXMZDTSLCVDP-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1cc(Cl)ccc1Cl ZINC000092940726 345863712 /nfs/dbraw/zinc/86/37/12/345863712.db2.gz RWDHOVWFQZLWJX-KWQFWETISA-N -1 1 288.174 3.288 20 0 CGADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1c(Cl)cccc1Cl ZINC000092940096 345863505 /nfs/dbraw/zinc/86/35/05/345863505.db2.gz DTHAFXOFPGMTOV-DTWKUNHWSA-N -1 1 288.174 3.288 20 0 CGADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cc(Cl)cc(Cl)c1 ZINC000092942108 345863560 /nfs/dbraw/zinc/86/35/60/345863560.db2.gz TVLJMOSJDNQMEY-QPUJVOFHSA-N -1 1 288.174 3.288 20 0 CGADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000174648692 232304686 /nfs/dbraw/zinc/30/46/86/232304686.db2.gz HLWKADJJZGWJCN-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM O=C(NCCCC1CC1)c1cc2ccccc2cc1[O-] ZINC000134797059 346083962 /nfs/dbraw/zinc/08/39/62/346083962.db2.gz CFBIQGHOKHWRPM-UHFFFAOYSA-N -1 1 269.344 3.465 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ccn(C(C)C)n2)n1 ZINC000172216889 346216566 /nfs/dbraw/zinc/21/65/66/346216566.db2.gz HYDBDQDNXUKJEU-UHFFFAOYSA-N -1 1 292.408 3.204 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000091439002 290777801 /nfs/dbraw/zinc/77/78/01/290777801.db2.gz MFJSGDMXSKCIMA-RYUDHWBXSA-N -1 1 269.344 3.273 20 0 CGADMM CSCC1(CC(=O)Nc2c([O-])cccc2F)CC1 ZINC000593556643 347091281 /nfs/dbraw/zinc/09/12/81/347091281.db2.gz LCHIIZVOJURHQH-UHFFFAOYSA-N -1 1 269.341 3.003 20 0 CGADMM COc1cc(NC(=O)c2cc3ccccc3cc2[O-])ccn1 ZINC000320015357 346487763 /nfs/dbraw/zinc/48/77/63/346487763.db2.gz RPAZAAAQKKUIAI-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM Cc1cnc(S[C@@H]2C=CCCCCC2)[n-]c1=O ZINC000584793662 346715253 /nfs/dbraw/zinc/71/52/53/346715253.db2.gz TXDNTCZPNPLRRS-LLVKDONJSA-N -1 1 250.367 3.472 20 0 CGADMM CS[C@@H](CN=c1nc(C(F)(F)F)[n-]s1)C(C)(C)C ZINC000588015558 346745779 /nfs/dbraw/zinc/74/57/79/346745779.db2.gz JALUYOJMEBWHGM-LURJTMIESA-N -1 1 299.387 3.168 20 0 CGADMM O=C(CCc1cc(F)ccc1F)Nc1c([O-])cccc1F ZINC000605438477 348155685 /nfs/dbraw/zinc/15/56/85/348155685.db2.gz DZLSLHFTUBZKAF-UHFFFAOYSA-N -1 1 295.260 3.381 20 0 CGADMM CC(C)c1nc(=N[C@@H]2CC[C@H]3CCCC[C@H]3C2)o[n-]1 ZINC000605690154 348166273 /nfs/dbraw/zinc/16/62/73/348166273.db2.gz AKVKQNYPYOKOFM-FRRDWIJNSA-N -1 1 263.385 3.386 20 0 CGADMM CC(C)c1nc(=NCCc2ccc3ccccc3c2)o[n-]1 ZINC000605691139 348166489 /nfs/dbraw/zinc/16/64/89/348166489.db2.gz MWWLBHKEYLXKFQ-UHFFFAOYSA-N -1 1 281.359 3.423 20 0 CGADMM CC(C)(C)c1cc(C(=O)Nc2c([O-])cccc2F)no1 ZINC000608365933 348301606 /nfs/dbraw/zinc/30/16/06/348301606.db2.gz CWRYOBNPWSKPSS-UHFFFAOYSA-N -1 1 278.283 3.069 20 0 CGADMM C[C@H](Cc1cccc(F)c1)C(=O)Nc1c([O-])cccc1F ZINC000608367462 348302153 /nfs/dbraw/zinc/30/21/53/348302153.db2.gz RBUVBEDARDQCGR-SNVBAGLBSA-N -1 1 291.297 3.488 20 0 CGADMM CC(C)[C@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613780064 348631545 /nfs/dbraw/zinc/63/15/45/348631545.db2.gz DXFSVKSPGUHQPN-AWEZNQCLSA-N -1 1 298.386 3.449 20 0 CGADMM C[C@@H]1CCC(C)(C)N1C(=O)c1ncc2ccccc2c1[O-] ZINC000616178665 348794499 /nfs/dbraw/zinc/79/44/99/348794499.db2.gz BTBZVBYUHLYBDM-LLVKDONJSA-N -1 1 284.359 3.344 20 0 CGADMM C[C@H]1CC(CNC(=O)c2c(F)ccc([O-])c2F)C[C@H](C)C1 ZINC000617668918 349000438 /nfs/dbraw/zinc/00/04/38/349000438.db2.gz ZHHAMSTZDDEHGI-NXEZZACHSA-N -1 1 297.345 3.473 20 0 CGADMM C[C@]1(CCNC(=O)c2ccc(Cl)cc2[O-])CC1(F)F ZINC000618625015 349128468 /nfs/dbraw/zinc/12/84/68/349128468.db2.gz CNJGEHYHBROARB-LBPRGKRZSA-N -1 1 289.709 3.211 20 0 CGADMM O=C(NC1CCC2(CC2(F)F)CC1)c1cc(F)ccc1[O-] ZINC000619230300 349224728 /nfs/dbraw/zinc/22/47/28/349224728.db2.gz SGWGLQDNPMIDKO-UHFFFAOYSA-N -1 1 299.292 3.229 20 0 CGADMM O=C(c1ccc([O-])cc1F)N(CCC1CC1)CC1CC1 ZINC000620628949 349399058 /nfs/dbraw/zinc/39/90/58/349399058.db2.gz BNYPWELRAAVIQF-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM CCO[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625180793 350137565 /nfs/dbraw/zinc/13/75/65/350137565.db2.gz QVXCXTYYEAELGN-ZDUSSCGKSA-N -1 1 269.772 3.047 20 0 CGADMM [O-]c1cccc(CN2CCc3c(O)cccc3C2)c1Cl ZINC000628464455 350546970 /nfs/dbraw/zinc/54/69/70/350546970.db2.gz WYXKNFRPSAAUJW-UHFFFAOYSA-N -1 1 289.762 3.310 20 0 CGADMM CCc1cc(=O)[n-]c(SCC2CC(C)(C)C2)n1 ZINC000629176808 350663473 /nfs/dbraw/zinc/66/34/73/350663473.db2.gz MYDHGMMKBOLLJT-UHFFFAOYSA-N -1 1 252.383 3.273 20 0 CGADMM CC(C)n1cc(NC(=O)Cc2ccc([O-])c(Cl)c2)cn1 ZINC000630899448 350905819 /nfs/dbraw/zinc/90/58/19/350905819.db2.gz ATSXARSVBGVFHZ-UHFFFAOYSA-N -1 1 293.754 3.004 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630923702 350910624 /nfs/dbraw/zinc/91/06/24/350910624.db2.gz IZYKNVRVCBDMCX-PHIMTYICSA-N -1 1 281.783 3.378 20 0 CGADMM Cc1nc(SC[C@H]2C[C@@H]2C)[n-]c(=O)c1C1CC1 ZINC000631023878 350927725 /nfs/dbraw/zinc/92/77/25/350927725.db2.gz ZDDAOHCZJIPNLN-OIBJUYFYSA-N -1 1 250.367 3.116 20 0 CGADMM Cc1nc(SCCc2cccnc2)[n-]c(=O)c1C1CC1 ZINC000631023916 350928018 /nfs/dbraw/zinc/92/80/18/350928018.db2.gz ZOOGRGMXQCHSEY-UHFFFAOYSA-N -1 1 287.388 3.098 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000631515704 351057883 /nfs/dbraw/zinc/05/78/83/351057883.db2.gz DOMZNRRFDMENEA-OCCSQVGLSA-N -1 1 293.794 3.379 20 0 CGADMM CCC(C)(CC)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631958948 351155686 /nfs/dbraw/zinc/15/56/86/351155686.db2.gz IBFUCFUJRCCFST-UHFFFAOYSA-N -1 1 281.324 3.074 20 0 CGADMM CC[C@@]1(C)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000631775931 351140185 /nfs/dbraw/zinc/14/01/85/351140185.db2.gz JXLKVDDFSIWFPY-HNNXBMFYSA-N -1 1 281.783 3.237 20 0 CGADMM C[C@H]1CC[C@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000632828385 351221033 /nfs/dbraw/zinc/22/10/33/351221033.db2.gz ZGLJZOMALUMDFW-JQWIXIFHSA-N -1 1 281.783 3.141 20 0 CGADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633657501 351341112 /nfs/dbraw/zinc/34/11/12/351341112.db2.gz AREJBKBWUNNWRU-VGPLMAKISA-N -1 1 293.794 3.378 20 0 CGADMM Cc1c(Cl)cccc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634592396 351528738 /nfs/dbraw/zinc/52/87/38/351528738.db2.gz IJLIERULVRVQMW-AMIZOPFISA-N -1 1 262.740 3.397 20 0 CGADMM Cc1[n-]n(-c2cccc(Cl)c2C)c(=O)c1C1CC1 ZINC000634592524 351528984 /nfs/dbraw/zinc/52/89/84/351528984.db2.gz MWMQCIVAZJZTHZ-CYBMUJFWSA-N -1 1 262.740 3.397 20 0 CGADMM CCc1c(C(C)C)[n-]n(Cc2ccccc2N(C)C)c1=O ZINC000634595627 351531747 /nfs/dbraw/zinc/53/17/47/351531747.db2.gz HVYCFEXBDRQEOM-CQSZACIVSA-N -1 1 287.407 3.133 20 0 CGADMM CCc1c(=O)n(Cc2cc(F)ccc2F)[n-]c1C(C)C ZINC000634596652 351533190 /nfs/dbraw/zinc/53/31/90/351533190.db2.gz MGGKCRQOOQFZFT-LBPRGKRZSA-N -1 1 280.318 3.345 20 0 CGADMM CCCc1c(C)[n-]n(-c2cc(F)c(F)cc2F)c1=O ZINC000634612504 351542061 /nfs/dbraw/zinc/54/20/61/351542061.db2.gz ZYTYDQXBFNFTHK-QMMMGPOBSA-N -1 1 270.254 3.243 20 0 CGADMM CCCCc1[nH]n(-c2cccc(C(=O)[O-])c2C)c(=O)c1C ZINC000634632936 351554297 /nfs/dbraw/zinc/55/42/97/351554297.db2.gz FAUZHXJXSUAVRL-NSHDSACASA-N -1 1 288.347 3.222 20 0 CGADMM O=C([O-])CCCCN[C@@H](CCc1ccccc1)C(F)F ZINC000635314325 351649816 /nfs/dbraw/zinc/64/98/16/351649816.db2.gz YUHKTXPUXHBZNK-ZDUSSCGKSA-N -1 1 285.334 3.097 20 0 CGADMM CCN(Cc1ccc(Cl)cc1)C(=O)c1cncc([O-])c1 ZINC000339884870 215378320 /nfs/dbraw/zinc/37/83/20/215378320.db2.gz DCWVWUGJMFSQRJ-UHFFFAOYSA-N -1 1 290.750 3.103 20 0 CGADMM CC(C)CC[C@H]1CCCCN1C(=O)c1cncc([O-])c1 ZINC000339907328 215391822 /nfs/dbraw/zinc/39/18/22/215391822.db2.gz AWUNMASMVYCUFR-CQSZACIVSA-N -1 1 276.380 3.218 20 0 CGADMM CCc1nn(C)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000271562867 191214607 /nfs/dbraw/zinc/21/46/07/191214607.db2.gz RDRDXFGWZPISOW-UHFFFAOYSA-N -1 1 287.363 3.064 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1=CCCCC1 ZINC000154482548 188145333 /nfs/dbraw/zinc/14/53/33/188145333.db2.gz KGLRJAXDFIQLEZ-UHFFFAOYSA-N -1 1 251.713 3.485 20 0 CGADMM C[C@@H]1C[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)C[C@H](C)O1 ZINC000292554236 198331125 /nfs/dbraw/zinc/33/11/25/198331125.db2.gz CJHXYTOQPASNGF-JIGDXULJSA-N -1 1 290.335 3.168 20 0 CGADMM CO[C@H]1CCCC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000293085269 198521353 /nfs/dbraw/zinc/52/13/53/198521353.db2.gz DLQHXPUHMAWAIO-GWCFXTLKSA-N -1 1 292.310 3.254 20 0 CGADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc3ccccc3c2[O-])[C@H](C)O1 ZINC000412638924 235196384 /nfs/dbraw/zinc/19/63/84/235196384.db2.gz JLNKARZQMNZOKA-DYEKYZERSA-N -1 1 299.370 3.089 20 0 CGADMM CCCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000271848580 191365674 /nfs/dbraw/zinc/36/56/74/191365674.db2.gz IZLPXVDNJSQTME-UHFFFAOYSA-N -1 1 287.281 3.426 20 0 CGADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccsc2C)o1 ZINC000417578246 235638799 /nfs/dbraw/zinc/63/87/99/235638799.db2.gz XZVJUYACNMFUTB-LBPRGKRZSA-N -1 1 279.361 3.264 20 0 CGADMM CCC[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000262566903 138563121 /nfs/dbraw/zinc/56/31/21/138563121.db2.gz YCVNDSABWQZMDA-CQSZACIVSA-N -1 1 291.322 3.429 20 0 CGADMM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc([O-])cc1F ZINC000336164734 212981099 /nfs/dbraw/zinc/98/10/99/212981099.db2.gz MPEZPYOCRKKVBA-JOCQHMNTSA-N -1 1 285.318 3.207 20 0 CGADMM C[C@H]1C[C@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000336157537 212973660 /nfs/dbraw/zinc/97/36/60/212973660.db2.gz GODZQJUYFKCHND-YUMQZZPRSA-N -1 1 273.254 3.034 20 0 CGADMM O=C(Nc1ccc(F)c(C2CC2)c1)C(=O)c1ccc([O-])cc1 ZINC000436632519 237148814 /nfs/dbraw/zinc/14/88/14/237148814.db2.gz BGFJNUSUPNMYEY-UHFFFAOYSA-N -1 1 299.301 3.230 20 0 CGADMM Cc1ncccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436811104 237184499 /nfs/dbraw/zinc/18/44/99/237184499.db2.gz ZJUHPLMVLJEXNH-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM CC[C@H](C)[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000341849731 216125279 /nfs/dbraw/zinc/12/52/79/216125279.db2.gz YDMBKGCMKSCTPW-TVQRCGJNSA-N -1 1 294.786 3.041 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000438796035 238207604 /nfs/dbraw/zinc/20/76/04/238207604.db2.gz WSIUUZSLBOOEEB-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])[C@@H]2CCCC[C@H]12 ZINC000180530136 189260386 /nfs/dbraw/zinc/26/03/86/189260386.db2.gz XQYCWRWMZVWPDO-ZKYQVNSYSA-N -1 1 277.339 3.182 20 0 CGADMM C[C@H]1SCCN(C(=O)c2ccc(Cl)cc2[O-])[C@@H]1C ZINC000118286281 291257409 /nfs/dbraw/zinc/25/74/09/291257409.db2.gz GUCUIESQJHTXEI-RKDXNWHRSA-N -1 1 285.796 3.012 20 0 CGADMM Cc1nc(-c2ccc(N3CCC(C)(C)C3)nc2)[n-]c(=O)c1C ZINC000301465776 201019063 /nfs/dbraw/zinc/01/90/63/201019063.db2.gz LMWCZCWDNOKTQS-UHFFFAOYSA-N -1 1 298.390 3.097 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@H](C)Cc2ccccc2C)c([O-])c1 ZINC000446978363 238845964 /nfs/dbraw/zinc/84/59/64/238845964.db2.gz BZCTUVJFEFRXMJ-CQSZACIVSA-N -1 1 298.386 3.107 20 0 CGADMM C[C@H]1c2ccsc2CCN1C(=O)c1cc(F)ccc1[O-] ZINC000132880925 291325929 /nfs/dbraw/zinc/32/59/29/291325929.db2.gz IEPUEHMETRRNMB-VIFPVBQESA-N -1 1 291.347 3.352 20 0 CGADMM CC[C@H](c1ccccc1)N(CC)C(=O)c1ncccc1[O-] ZINC000275373203 193014023 /nfs/dbraw/zinc/01/40/23/193014023.db2.gz VVBVMOKBGKLWEB-CQSZACIVSA-N -1 1 284.359 3.401 20 0 CGADMM C[C@H](c1ccccc1)N(C(=O)c1ncccc1[O-])C1CC1 ZINC000275392567 193020091 /nfs/dbraw/zinc/02/00/91/193020091.db2.gz XRUHQQQLERIREO-GFCCVEGCSA-N -1 1 282.343 3.153 20 0 CGADMM CC(C)[N@@H+](Cc1ccco1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459328853 242072455 /nfs/dbraw/zinc/07/24/55/242072455.db2.gz PBVOTMGGEXGXNR-UHFFFAOYSA-N -1 1 287.363 3.063 20 0 CGADMM C[C@]1(F)CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000295413695 291398536 /nfs/dbraw/zinc/39/85/36/291398536.db2.gz CCMHQHXJMADWPM-ZDUSSCGKSA-N -1 1 271.719 3.010 20 0 CGADMM O=C(NCCCc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000037485693 369085155 /nfs/dbraw/zinc/08/51/55/369085155.db2.gz PCCWXLKSLIPJOE-UHFFFAOYSA-N -1 1 289.762 3.408 20 0 CGADMM COc1ccc(Cl)cc1CN1CCC(CC(=O)[O-])CC1 ZINC000049903472 369423186 /nfs/dbraw/zinc/42/31/86/369423186.db2.gz CIEDBEJLWSEWQA-UHFFFAOYSA-N -1 1 297.782 3.035 20 0 CGADMM CC[C@@]1(C)CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000072802682 369839408 /nfs/dbraw/zinc/83/94/08/369839408.db2.gz VMOGNGKTHQZEMC-HNNXBMFYSA-N -1 1 291.420 3.409 20 0 CGADMM CN(CCOCC1CC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000088239132 370032908 /nfs/dbraw/zinc/03/29/08/370032908.db2.gz LQLQVXLAYWXLSP-UHFFFAOYSA-N -1 1 299.370 3.044 20 0 CGADMM C[C@H](NC(=O)c1cncc([O-])c1)c1cc2ccccc2o1 ZINC000109042742 370359594 /nfs/dbraw/zinc/35/95/94/370359594.db2.gz YPJSPQWEHHXKKB-JTQLQIEISA-N -1 1 282.299 3.024 20 0 CGADMM CC(C)COc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000109042231 370360178 /nfs/dbraw/zinc/36/01/78/370360178.db2.gz GLPDFIMBGMURNV-UHFFFAOYSA-N -1 1 286.331 3.074 20 0 CGADMM Cc1cccc2nc(-c3ccc(OCCC(=O)[O-])cc3)[nH]c21 ZINC000513871346 245099507 /nfs/dbraw/zinc/09/95/07/245099507.db2.gz PCTILIOXYDSKSJ-UHFFFAOYSA-N -1 1 296.326 3.392 20 0 CGADMM Cc1nnc([N-]C(=O)c2cc(F)c(Cl)cc2F)s1 ZINC000134035142 371297309 /nfs/dbraw/zinc/29/73/09/371297309.db2.gz FHCMQVASUCIHAO-UHFFFAOYSA-N -1 1 289.694 3.030 20 0 CGADMM COc1cc(C(=O)Nc2cccnc2C)cc(Cl)c1[O-] ZINC000135157336 371395986 /nfs/dbraw/zinc/39/59/86/371395986.db2.gz CVTAPKWIPQCYAJ-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM O=C(CCc1ccncc1)Nc1ccc([O-])c(Cl)c1 ZINC000135996135 371455336 /nfs/dbraw/zinc/45/53/36/371455336.db2.gz VLNWNXBWBRMWNT-UHFFFAOYSA-N -1 1 276.723 3.012 20 0 CGADMM CC(C)Oc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000138937181 371506607 /nfs/dbraw/zinc/50/66/07/371506607.db2.gz TZHWWCLVALFJDZ-UHFFFAOYSA-N -1 1 287.315 3.137 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCc2ccc(Cl)cc21 ZINC000154958167 371893944 /nfs/dbraw/zinc/89/39/44/371893944.db2.gz BGLGWDYFWRJGNT-UHFFFAOYSA-N -1 1 291.709 3.388 20 0 CGADMM O=C([O-])C[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000164531829 372521497 /nfs/dbraw/zinc/52/14/97/372521497.db2.gz DMIWFEJVICBLTM-JTQLQIEISA-N -1 1 285.746 3.166 20 0 CGADMM CN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCC(C)(C)C1 ZINC000436924315 372842775 /nfs/dbraw/zinc/84/27/75/372842775.db2.gz WRNRZNOJHHIFAJ-LLVKDONJSA-N -1 1 265.328 3.182 20 0 CGADMM CC(C)C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000175262577 373440832 /nfs/dbraw/zinc/44/08/32/373440832.db2.gz OQRUWSCIGZSVSD-NSHDSACASA-N -1 1 265.328 3.040 20 0 CGADMM Cc1nc(-c2ccc(N[C@@H]3CC=CCC3)nc2)[n-]c(=O)c1C ZINC000301394326 373769750 /nfs/dbraw/zinc/76/97/50/373769750.db2.gz KJCRHMKPDPCGKB-CQSZACIVSA-N -1 1 296.374 3.382 20 0 CGADMM CCc1nc2cc(NC(=O)c3ccc(O)cc3[O-])ccc2o1 ZINC000179439878 373874150 /nfs/dbraw/zinc/87/41/50/373874150.db2.gz WNTHTHOWUCRQDB-UHFFFAOYSA-N -1 1 298.298 3.054 20 0 CGADMM CCc1nsc([N-]c2cnn(C3CCCC3)c2C)n1 ZINC000302902019 374001723 /nfs/dbraw/zinc/00/17/23/374001723.db2.gz UAZCSMYEDNXQBJ-UHFFFAOYSA-N -1 1 277.397 3.464 20 0 CGADMM O=S(=O)([N-]c1ccccc1)c1ccc2ncccc2c1 ZINC000353676717 220250034 /nfs/dbraw/zinc/25/00/34/220250034.db2.gz MFKDBZFEZVOBQV-UHFFFAOYSA-N -1 1 284.340 3.036 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(C(F)F)CC1 ZINC000307882641 374155125 /nfs/dbraw/zinc/15/51/25/374155125.db2.gz MEMQQFIVTQPWCD-UHFFFAOYSA-N -1 1 289.709 3.163 20 0 CGADMM O=C(Nc1ccc(Cl)cc1)c1ccc([O-])cc1F ZINC000181827170 374178104 /nfs/dbraw/zinc/17/81/04/374178104.db2.gz JGTQTUSQDMCVDY-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM O=C(NCCCCF)c1cc2ccccc2cc1[O-] ZINC000311456958 374243998 /nfs/dbraw/zinc/24/39/98/374243998.db2.gz KUTPLTWWJVNZTM-UHFFFAOYSA-N -1 1 261.296 3.025 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)C(C)C)c1 ZINC000182930671 374345266 /nfs/dbraw/zinc/34/52/66/374345266.db2.gz OOEZMVAOSQBVIH-UHFFFAOYSA-N -1 1 272.142 3.058 20 0 CGADMM Cc1cccc([C@@H]2CCN(C(=O)c3ncc(C)cc3[O-])C2)c1 ZINC000331170811 374510649 /nfs/dbraw/zinc/51/06/49/374510649.db2.gz FNZITVPTRBRZKW-OAHLLOKOSA-N -1 1 296.370 3.034 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2sc(C)nc2C)n1 ZINC000331228745 374513893 /nfs/dbraw/zinc/51/38/93/374513893.db2.gz OPXILHHTDWCQNB-UHFFFAOYSA-N -1 1 281.406 3.110 20 0 CGADMM CC[C@@H]1C[C@H](CC(=O)Nc2ccc([O-])c(F)c2F)CCO1 ZINC000456791070 374625344 /nfs/dbraw/zinc/62/53/44/374625344.db2.gz XFLWPELDVKWGFE-NXEZZACHSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(F)ccc1Cl ZINC000334602045 374897408 /nfs/dbraw/zinc/89/74/08/374897408.db2.gz IYUKRHOZJPARPF-UWVGGRQHSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(F)ccc1Cl ZINC000334602045 374897416 /nfs/dbraw/zinc/89/74/16/374897416.db2.gz IYUKRHOZJPARPF-UWVGGRQHSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335016894 375072363 /nfs/dbraw/zinc/07/23/63/375072363.db2.gz CHZFDPXAAYCWQL-IUCAKERBSA-N -1 1 269.291 3.435 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccccc2Cl)n1 ZINC000187596286 375051995 /nfs/dbraw/zinc/05/19/95/375051995.db2.gz BMXPTUBRUKAUMK-UHFFFAOYSA-N -1 1 282.752 3.142 20 0 CGADMM CCc1c(C(=O)Nc2ccc([O-])c(Cl)c2)ccn1C ZINC000336100172 375685025 /nfs/dbraw/zinc/68/50/25/375685025.db2.gz DBVRILQOACOKIU-UHFFFAOYSA-N -1 1 278.739 3.199 20 0 CGADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C1CCC1 ZINC000126438403 542041060 /nfs/dbraw/zinc/04/10/60/542041060.db2.gz NIIYYLDEFIFVME-MRVPVSSYSA-N -1 1 298.180 3.073 20 0 CGADMM O=C(OC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000730358494 572345335 /nfs/dbraw/zinc/34/53/35/572345335.db2.gz CNHUPBGKEUJQDV-SSDOTTSWSA-N -1 1 291.130 3.035 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC12CCC2 ZINC000336625559 296240571 /nfs/dbraw/zinc/24/05/71/296240571.db2.gz UYEWSHKWHKZFHB-UHFFFAOYSA-N -1 1 267.328 3.314 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](C2CC2)C1 ZINC000374287078 296240622 /nfs/dbraw/zinc/24/06/22/296240622.db2.gz IXZYHSFZOCCIJB-CQSZACIVSA-N -1 1 281.355 3.418 20 0 CGADMM COc1cc(C(=O)N2CCCCCC2)cc(Cl)c1[O-] ZINC000334314104 206354476 /nfs/dbraw/zinc/35/44/76/206354476.db2.gz LWRLJIJRMFPOHC-UHFFFAOYSA-N -1 1 283.755 3.070 20 0 CGADMM CC(C)CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339127315 376697444 /nfs/dbraw/zinc/69/74/44/376697444.db2.gz JBADTTXPPDXTJC-UHFFFAOYSA-N -1 1 273.336 3.157 20 0 CGADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc([O-])cc1F ZINC000246202084 376987123 /nfs/dbraw/zinc/98/71/23/376987123.db2.gz VHRWUWLRXVVWRI-JRPNMDOOSA-N -1 1 277.339 3.325 20 0 CGADMM O=C(Cc1c[nH]c2ccccc12)Nc1ccc(F)cc1[O-] ZINC000340326956 377001511 /nfs/dbraw/zinc/00/15/11/377001511.db2.gz GZKJELSNONFTKD-UHFFFAOYSA-N -1 1 284.290 3.194 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])c(F)c1 ZINC000340331556 377007041 /nfs/dbraw/zinc/00/70/41/377007041.db2.gz XAJRVXRWRLKEEN-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM Cc1ccoc1CN[C@](C)(CCc1ccccc1)C(=O)[O-] ZINC000340673381 377204291 /nfs/dbraw/zinc/20/42/91/377204291.db2.gz UWEVRMUKHKIQLY-QGZVFWFLSA-N -1 1 287.359 3.154 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C/c3cscn3)n2)c(F)c1 ZINC000562555190 377329494 /nfs/dbraw/zinc/32/94/94/377329494.db2.gz DDBVJTNSSUGCHP-DAFODLJHSA-N -1 1 289.291 3.208 20 0 CGADMM CC[C@H](F)CN1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000563456531 377470087 /nfs/dbraw/zinc/47/00/87/377470087.db2.gz WAFMGFLMAPLJBN-MELADBBJSA-N -1 1 265.328 3.025 20 0 CGADMM C[C@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000165674634 542172600 /nfs/dbraw/zinc/17/26/00/542172600.db2.gz MKKSTEJGPHWOEK-AWEZNQCLSA-N -1 1 285.746 3.166 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3[C@@H]4CCCC[C@@H]43)n2)c(F)c1 ZINC000516387704 249232741 /nfs/dbraw/zinc/23/27/41/249232741.db2.gz WFNKWQKYYYBRII-IWIIMEHWSA-N -1 1 274.295 3.485 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000182907984 542225567 /nfs/dbraw/zinc/22/55/67/542225567.db2.gz UQBTUAMVCPCCGT-HTQZYQBOSA-N -1 1 284.153 3.058 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)[C@@H](C)C1 ZINC000578630154 378086769 /nfs/dbraw/zinc/08/67/69/378086769.db2.gz UAEWLPDVONBELY-WCABBAIRSA-N -1 1 283.318 3.225 20 0 CGADMM CC[C@@H](C)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000578778279 378099589 /nfs/dbraw/zinc/09/95/89/378099589.db2.gz OTNUYZSAUUWXBK-LLVKDONJSA-N -1 1 288.347 3.270 20 0 CGADMM CCN(CCC(=O)[O-])Cc1nc(-c2ccsc2)oc1C ZINC000583268439 378316290 /nfs/dbraw/zinc/31/62/90/378316290.db2.gz PXMBIIMCXLGFFO-UHFFFAOYSA-N -1 1 294.376 3.008 20 0 CGADMM CO[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000334533663 206675224 /nfs/dbraw/zinc/67/52/24/206675224.db2.gz QNZFMASIVPIEJI-LRDDRELGSA-N -1 1 299.370 3.042 20 0 CGADMM CC(C)c1nc(=NCCCO[C@H](C)c2ccccc2)o[n-]1 ZINC000346893618 218050725 /nfs/dbraw/zinc/05/07/25/218050725.db2.gz XPARKUINKBRNPG-CYBMUJFWSA-N -1 1 289.379 3.195 20 0 CGADMM C[C@@H](C(=O)[N-]OC1CCCC1)c1cn(C)c2ccccc12 ZINC000274777886 378894252 /nfs/dbraw/zinc/89/42/52/378894252.db2.gz VTXKWQJLWUWTHI-GFCCVEGCSA-N -1 1 286.375 3.272 20 0 CGADMM CCc1ccc(CN[C@@H](CCc2ccccc2)C(=O)[O-])o1 ZINC000277111701 379071960 /nfs/dbraw/zinc/07/19/60/379071960.db2.gz AKZMUAZJXHONKV-INIZCTEOSA-N -1 1 287.359 3.018 20 0 CGADMM O=C(NC1CC(F)(F)C1)c1cc2ccccc2cc1[O-] ZINC000277620580 379200954 /nfs/dbraw/zinc/20/09/54/379200954.db2.gz RLEQOFXWVKKCEU-UHFFFAOYSA-N -1 1 277.270 3.073 20 0 CGADMM C[C@H]1C[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCO1 ZINC000278240312 379326428 /nfs/dbraw/zinc/32/64/28/379326428.db2.gz SITCVBDAZAZOEV-DTWKUNHWSA-N -1 1 294.738 3.378 20 0 CGADMM CCCCCOCc1nc(-c2ccc([O-])cc2F)no1 ZINC000278161823 379303988 /nfs/dbraw/zinc/30/39/88/379303988.db2.gz MYQWCZNAYVFQAV-UHFFFAOYSA-N -1 1 280.299 3.288 20 0 CGADMM CSCCO[N-]C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000280033505 379586035 /nfs/dbraw/zinc/58/60/35/379586035.db2.gz ORBHWYSUOKEMHG-GFCCVEGCSA-N -1 1 289.400 3.354 20 0 CGADMM CO[C@H]1CCC[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000350566811 379562172 /nfs/dbraw/zinc/56/21/72/379562172.db2.gz QLCJDEVAKQTZCG-QWRGUYRKSA-N -1 1 292.310 3.254 20 0 CGADMM CO[C@@H]1CCC[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000350566809 379562438 /nfs/dbraw/zinc/56/24/38/379562438.db2.gz QLCJDEVAKQTZCG-GHMZBOCLSA-N -1 1 292.310 3.254 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)c(F)c1 ZINC000404828925 379982728 /nfs/dbraw/zinc/98/27/28/379982728.db2.gz DBDDCKBYVDDQPT-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Cc1cnc(C(=O)N(C)C2CCC(C)(C)CC2)c([O-])c1 ZINC000408370297 380007870 /nfs/dbraw/zinc/00/78/70/380007870.db2.gz JAHOKVPGLFGDBH-UHFFFAOYSA-N -1 1 276.380 3.136 20 0 CGADMM Cc1csc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])n1 ZINC000417563021 380638001 /nfs/dbraw/zinc/63/80/01/380638001.db2.gz MXIMNYKLJPFVBX-BXUZGUMPSA-N -1 1 290.388 3.003 20 0 CGADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2csc(C)c2)o1 ZINC000417569716 380639487 /nfs/dbraw/zinc/63/94/87/380639487.db2.gz LVVQMXFFVOQJEK-GFCCVEGCSA-N -1 1 279.361 3.264 20 0 CGADMM Cc1ccc([C@H](CC(=O)[O-])NCc2csc(C)c2)o1 ZINC000417569717 380641478 /nfs/dbraw/zinc/64/14/78/380641478.db2.gz LVVQMXFFVOQJEK-LBPRGKRZSA-N -1 1 279.361 3.264 20 0 CGADMM Cc1ccccc1CNCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000417710740 380668377 /nfs/dbraw/zinc/66/83/77/380668377.db2.gz UTPVRYZKJJYBLG-UHFFFAOYSA-N -1 1 296.370 3.255 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H](C2CCC2)C2CCCC2)s[n-]1 ZINC000645334350 380653307 /nfs/dbraw/zinc/65/33/07/380653307.db2.gz VCXGNCZUBXEKHT-ZWNOBZJWSA-N -1 1 295.452 3.438 20 0 CGADMM O=C(Nc1ccc(F)c(C2CC2)c1)c1cncc([O-])c1 ZINC000355669798 380744421 /nfs/dbraw/zinc/74/44/21/380744421.db2.gz SZUJPEUTTDXUDQ-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM CC(C)CC[C@H](NC(=O)c1cncc([O-])c1)C(C)(C)C ZINC000360501503 381562049 /nfs/dbraw/zinc/56/20/49/381562049.db2.gz ZUULBVIWTHJPSN-AWEZNQCLSA-N -1 1 278.396 3.368 20 0 CGADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000360661747 381610213 /nfs/dbraw/zinc/61/02/13/381610213.db2.gz CBDWDSIYSXQHJL-YGRLFVJLSA-N -1 1 251.301 3.152 20 0 CGADMM CSc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000174735221 532998291 /nfs/dbraw/zinc/99/82/91/532998291.db2.gz UFENMQKXGYATKN-UHFFFAOYSA-N -1 1 285.415 3.271 20 0 CGADMM C[C@@H]1C[C@@H](C)[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)O1 ZINC000289067809 197226838 /nfs/dbraw/zinc/22/68/38/197226838.db2.gz MAYXOUVEKUVYMS-RWYTXXIDSA-N -1 1 278.283 3.067 20 0 CGADMM CCC[C@H](C)[C@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000288110696 197006101 /nfs/dbraw/zinc/00/61/01/197006101.db2.gz IZYFGMLTWMVZJA-SWLSCSKDSA-N -1 1 289.375 3.002 20 0 CGADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000308346391 542422195 /nfs/dbraw/zinc/42/21/95/542422195.db2.gz AYGKROHFXAGGFU-JTQLQIEISA-N -1 1 287.812 3.478 20 0 CGADMM CC1(C)C[C@@H](c2noc(-c3cc(F)ccc3[O-])n2)CCO1 ZINC000351198321 542543579 /nfs/dbraw/zinc/54/35/79/542543579.db2.gz WXBPHGUOVDFLSY-VIFPVBQESA-N -1 1 292.310 3.254 20 0 CGADMM COc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc(C)n1 ZINC000436518075 533557475 /nfs/dbraw/zinc/55/74/75/533557475.db2.gz WBQFSRHWAAUUQD-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM O=C([O-])c1cccnc1CN(Cc1cccs1)C1CC1 ZINC000380305233 542594743 /nfs/dbraw/zinc/59/47/43/542594743.db2.gz VEHBGHZNPDSWFJ-UHFFFAOYSA-N -1 1 288.372 3.006 20 0 CGADMM CN(CC1CCCC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000070158369 392177068 /nfs/dbraw/zinc/17/70/68/392177068.db2.gz DXRXUMAYMHYURB-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM Cc1ccccc1[C@@H]1CN(CCCCC(=O)[O-])[C@@H](C)CO1 ZINC000248373142 131114122 /nfs/dbraw/zinc/11/41/22/131114122.db2.gz GQQOLXPRFZMPFD-HOCLYGCPSA-N -1 1 291.391 3.012 20 0 CGADMM CC(C)(C)c1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1 ZINC000447121234 542670061 /nfs/dbraw/zinc/67/00/61/542670061.db2.gz KEIYIZVKRAPYOS-UHFFFAOYSA-N -1 1 279.343 3.283 20 0 CGADMM CO[C@@H](C)c1nc(=N[C@H](C)CC2CCCCC2)s[n-]1 ZINC000509833631 392775285 /nfs/dbraw/zinc/77/52/85/392775285.db2.gz GVSUEWKXCNUEKL-MNOVXSKESA-N -1 1 283.441 3.438 20 0 CGADMM C[C@@]12CCN(Cc3ccc(C(=O)[O-])c(F)c3)C[C@@H]1C2(F)F ZINC000514799619 392858355 /nfs/dbraw/zinc/85/83/55/392858355.db2.gz UKAYHFQANHRRKZ-GXTWGEPZSA-N -1 1 299.292 3.001 20 0 CGADMM CCOc1cc(C(=O)N2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000192734806 392859134 /nfs/dbraw/zinc/85/91/34/392859134.db2.gz AGWUKVZYDHEIIP-JTQLQIEISA-N -1 1 297.782 3.459 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000646412958 393280594 /nfs/dbraw/zinc/28/05/94/393280594.db2.gz KFVHSIIMUJJTSJ-GXSJLCMTSA-N -1 1 279.384 3.215 20 0 CGADMM COc1ccc(CSc2ncc(C)c(=O)[n-]2)cc1C ZINC000629179711 542782712 /nfs/dbraw/zinc/78/27/12/542782712.db2.gz FWJBYCPYGRACAH-UHFFFAOYSA-N -1 1 276.361 3.100 20 0 CGADMM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000360884752 393606838 /nfs/dbraw/zinc/60/68/38/393606838.db2.gz LTZYSFAJFSLMGH-VHSXEESVSA-N -1 1 291.363 3.068 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccc(Cl)s2)n1 ZINC000432660423 393626153 /nfs/dbraw/zinc/62/61/53/393626153.db2.gz SNPUPQXFMLBCQP-UHFFFAOYSA-N -1 1 288.781 3.204 20 0 CGADMM CC[C@@]1(C)C[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000445464903 393797955 /nfs/dbraw/zinc/79/79/55/393797955.db2.gz WQVFBMGCESLBOS-HZMBPMFUSA-N -1 1 262.284 3.485 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cccs3)n2)cc1F ZINC000445480052 393798572 /nfs/dbraw/zinc/79/85/72/393798572.db2.gz YCCNFMKXNMWTQH-UHFFFAOYSA-N -1 1 262.265 3.310 20 0 CGADMM C[C@H](Cc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000672901267 543229938 /nfs/dbraw/zinc/22/99/38/543229938.db2.gz IYHOUEPTRMUKGN-LLVKDONJSA-N -1 1 273.307 3.349 20 0 CGADMM CCc1c(C)[n-]n(Cc2ccccc2Cl)c1=O ZINC000110443000 397654389 /nfs/dbraw/zinc/65/43/89/397654389.db2.gz ZCRZHBALBIDHTD-NSHDSACASA-N -1 1 250.729 3.084 20 0 CGADMM Cc1cccc(CNCc2cccc([O-])c2Cl)n1 ZINC000385590179 397688843 /nfs/dbraw/zinc/68/88/43/397688843.db2.gz IGYUHIMFPSWXMT-UHFFFAOYSA-N -1 1 262.740 3.039 20 0 CGADMM Cc1nc(CCCC(=O)Nc2c([O-])cccc2F)cs1 ZINC000674266942 543278928 /nfs/dbraw/zinc/27/89/28/543278928.db2.gz SVWUJAKJUHLGGR-UHFFFAOYSA-N -1 1 294.351 3.258 20 0 CGADMM CC[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccccc2F)o1 ZINC000650807696 397928225 /nfs/dbraw/zinc/92/82/25/397928225.db2.gz GEQIZXDXJUAXSC-CQSZACIVSA-N -1 1 291.322 3.381 20 0 CGADMM CCC[C@@H](NC(=O)c1ccc([O-])c(F)c1)C(C)(C)C ZINC000650864677 397936868 /nfs/dbraw/zinc/93/68/68/397936868.db2.gz QCWLMHRWDTXVNH-CYBMUJFWSA-N -1 1 267.344 3.476 20 0 CGADMM Cc1ccccc1CC1CN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000674746492 543295368 /nfs/dbraw/zinc/29/53/68/543295368.db2.gz QASLUDWNIOPTNR-UHFFFAOYSA-N -1 1 299.345 3.154 20 0 CGADMM CC(C)Sc1ccccc1[N-]C(=O)c1cnco1 ZINC000677568943 543455106 /nfs/dbraw/zinc/45/51/06/543455106.db2.gz IRFNNWMCODENIT-UHFFFAOYSA-N -1 1 262.334 3.427 20 0 CGADMM Cc1nc2ccc(NC(=O)c3ccccc3[O-])cc2o1 ZINC000073956930 287007841 /nfs/dbraw/zinc/00/78/41/287007841.db2.gz KWSSXQCEPLLVAT-UHFFFAOYSA-N -1 1 268.272 3.094 20 0 CGADMM CC(C)[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080028281 287062519 /nfs/dbraw/zinc/06/25/19/287062519.db2.gz CZESRCMBFFCUSZ-GFCCVEGCSA-N -1 1 279.355 3.430 20 0 CGADMM CCOC[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000081467787 287073306 /nfs/dbraw/zinc/07/33/06/287073306.db2.gz BANUCSUFUJIARH-ZDUSSCGKSA-N -1 1 299.370 3.044 20 0 CGADMM C[C@]1(C(=O)[O-])CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000062936274 165030023 /nfs/dbraw/zinc/03/00/23/165030023.db2.gz SIQPRGJHGUPOAO-ZDUSSCGKSA-N -1 1 288.174 3.290 20 0 CGADMM CSC[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000092762374 165313999 /nfs/dbraw/zinc/31/39/99/165313999.db2.gz DUJHVTHOVNXJJX-JTQLQIEISA-N -1 1 285.796 3.013 20 0 CGADMM CCc1ccc(CN(C(=O)c2ncccc2[O-])C2CC2)cc1 ZINC000122797299 287212668 /nfs/dbraw/zinc/21/26/68/287212668.db2.gz SWLLWLZKKNYEAE-UHFFFAOYSA-N -1 1 296.370 3.154 20 0 CGADMM COc1ccc(C(=O)Nc2cc(C)ccc2F)c([O-])c1 ZINC000020363087 171162137 /nfs/dbraw/zinc/16/21/37/171162137.db2.gz IPMHZZOKRMQTKM-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(Cc2cccs2)no1 ZINC000128811498 287319026 /nfs/dbraw/zinc/31/90/26/287319026.db2.gz ZRYAZNHIADPODV-UHFFFAOYSA-N -1 1 276.292 3.234 20 0 CGADMM O=C(CSc1ccccc1)Nc1c([O-])cccc1F ZINC000078807104 177390939 /nfs/dbraw/zinc/39/09/39/177390939.db2.gz ZNNMPTZYYVKBMC-UHFFFAOYSA-N -1 1 277.320 3.262 20 0 CGADMM Cc1nc(CNC(=O)c2ccc3ccccc3c2[O-])cs1 ZINC000048356880 416448727 /nfs/dbraw/zinc/44/87/27/416448727.db2.gz JRIUAZUSMXRCRT-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000312273061 416534853 /nfs/dbraw/zinc/53/48/53/416534853.db2.gz ANVWRGPSXVVEBB-CKYFFXLPSA-N -1 1 283.318 3.068 20 0 CGADMM CCC[C@H](C)c1cc(NC(=O)c2ccc([O-])cc2F)n[nH]1 ZINC000679173647 543597690 /nfs/dbraw/zinc/59/76/90/543597690.db2.gz UFXLDMPIFHICOL-VIFPVBQESA-N -1 1 291.326 3.410 20 0 CGADMM COc1cc(C)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681020140 543757365 /nfs/dbraw/zinc/75/73/65/543757365.db2.gz UKPKWLYMSOMOFV-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM CCOc1ccc(NC(=O)c2ccc([O-])c(F)c2)c(C)c1 ZINC000681018958 543757546 /nfs/dbraw/zinc/75/75/46/543757546.db2.gz IJNYZJKSHSHNFW-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM Cc1cccc([C@H](C)CNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681048539 543760624 /nfs/dbraw/zinc/76/06/24/543760624.db2.gz AEWWKDBZHBPQHI-GFCCVEGCSA-N -1 1 287.334 3.373 20 0 CGADMM C[C@H]1CC(NC(=O)c2ccc([O-])c(F)c2)C[C@H](C)C1 ZINC000681048477 543760637 /nfs/dbraw/zinc/76/06/37/543760637.db2.gz HVPUKUWUCSONHH-NXEZZACHSA-N -1 1 265.328 3.086 20 0 CGADMM CCc1nc([C@H](C)NC(=O)c2ccc([O-])c(F)c2)cs1 ZINC000681047410 543760648 /nfs/dbraw/zinc/76/06/48/543760648.db2.gz VWNWACCRRUTWNH-QMMMGPOBSA-N -1 1 294.351 3.041 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000681048613 543760867 /nfs/dbraw/zinc/76/08/67/543760867.db2.gz BWMYOZYAKOONDV-CQSZACIVSA-N -1 1 299.345 3.236 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC2(C1)CCCCC2 ZINC000681051196 543761180 /nfs/dbraw/zinc/76/11/80/543761180.db2.gz UDKJKMNQSNYRGJ-UHFFFAOYSA-N -1 1 277.339 3.328 20 0 CGADMM C[C@]1(c2ccccc2)CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681054060 543761692 /nfs/dbraw/zinc/76/16/92/543761692.db2.gz FNYOAVGTUUOXBT-SFHVURJKSA-N -1 1 299.345 3.335 20 0 CGADMM CC[C@@H]1c2ccccc2CCN1C(=O)c1ncc(C)cc1[O-] ZINC000681731384 543804793 /nfs/dbraw/zinc/80/47/93/543804793.db2.gz APZHDZHDYGQQCI-OAHLLOKOSA-N -1 1 296.370 3.245 20 0 CGADMM O=S(=O)([N-]C1CCCCC1)c1c(F)cccc1Cl ZINC000130876244 287365582 /nfs/dbraw/zinc/36/55/82/287365582.db2.gz SIXHBNLUKKHICB-UHFFFAOYSA-N -1 1 291.775 3.090 20 0 CGADMM CC(C)(C)[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000131574127 287383899 /nfs/dbraw/zinc/38/38/99/287383899.db2.gz VBFFHGVEXWCWEC-JTQLQIEISA-N -1 1 265.328 3.040 20 0 CGADMM CC(=O)C(C)(C)CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000683591848 543927762 /nfs/dbraw/zinc/92/77/62/543927762.db2.gz COKRXCSMFPLVTN-UHFFFAOYSA-N -1 1 292.310 3.129 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCCC1 ZINC000684868513 544034981 /nfs/dbraw/zinc/03/49/81/544034981.db2.gz DZDFOLABKOEMOC-UHFFFAOYSA-N -1 1 273.254 3.037 20 0 CGADMM O=C(Nc1ccccc1O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873021 544035144 /nfs/dbraw/zinc/03/51/44/544035144.db2.gz PMIQCLRVGSWXDN-UHFFFAOYSA-N -1 1 297.232 3.369 20 0 CGADMM O=c1cc(C(F)F)nc(S[C@@H]2CCCCCC2=O)[n-]1 ZINC000685575013 544085180 /nfs/dbraw/zinc/08/51/80/544085180.db2.gz YRNAVVHOMUIEPG-SECBINFHSA-N -1 1 288.319 3.114 20 0 CGADMM O=C(NC1CCC2(CCCCC2)CC1)c1cncc([O-])c1 ZINC000355038191 227334831 /nfs/dbraw/zinc/33/48/31/227334831.db2.gz AUZXWDSYOBGXAD-UHFFFAOYSA-N -1 1 288.391 3.410 20 0 CGADMM CC(C)CCc1nc(CN(CCC(=O)[O-])C(C)C)cs1 ZINC000652478640 418973353 /nfs/dbraw/zinc/97/33/53/418973353.db2.gz OIHYBFNHASOBNE-UHFFFAOYSA-N -1 1 298.452 3.417 20 0 CGADMM O=C([O-])[C@H](c1ccc(F)cc1)N1CCc2sccc2C1 ZINC000652385204 418960215 /nfs/dbraw/zinc/96/02/15/418960215.db2.gz MVWLIKBKTPEEJB-AWEZNQCLSA-N -1 1 291.347 3.071 20 0 CGADMM CCN(Cc1ccoc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000659786948 418989846 /nfs/dbraw/zinc/98/98/46/418989846.db2.gz UEKUBIMIXPTDAP-UHFFFAOYSA-N -1 1 277.295 3.139 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CN(CC(=O)[O-])CC(C)(C)C)o1 ZINC000665349922 419114440 /nfs/dbraw/zinc/11/44/40/419114440.db2.gz ZBMGKKBVXDBNIG-DGCLKSJQSA-N -1 1 279.380 3.336 20 0 CGADMM CC[C@@H](OC1CCCC1)C(=O)Nc1c([O-])cccc1F ZINC000665783947 419160394 /nfs/dbraw/zinc/16/03/94/419160394.db2.gz KAQQEGHNCBXCLP-CYBMUJFWSA-N -1 1 281.327 3.208 20 0 CGADMM CCc1nc(CSc2nc(CC)c(C)c(=O)[n-]2)cs1 ZINC000657263886 419239918 /nfs/dbraw/zinc/23/99/18/419239918.db2.gz AOAKBPJKXYHBQU-UHFFFAOYSA-N -1 1 295.433 3.364 20 0 CGADMM CCc1nc(S[C@@H]2CCCCCC2=O)[n-]c(=O)c1C ZINC000657264906 419239955 /nfs/dbraw/zinc/23/99/55/419239955.db2.gz BIJWQDLSXIXSHK-GFCCVEGCSA-N -1 1 280.393 3.047 20 0 CGADMM O=C(c1ccccc1[O-])N1CCCCc2ccccc21 ZINC000106909860 270049102 /nfs/dbraw/zinc/04/91/02/270049102.db2.gz YTLWJGLBAPJZKV-UHFFFAOYSA-N -1 1 267.328 3.375 20 0 CGADMM O=C(NCCC1=CCCCC1)c1c([O-])cccc1F ZINC000228834230 270087760 /nfs/dbraw/zinc/08/77/60/270087760.db2.gz CVYXUFCMHXJSPQ-UHFFFAOYSA-N -1 1 263.312 3.152 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)C1CCCCC1 ZINC000228854529 270088143 /nfs/dbraw/zinc/08/81/43/270088143.db2.gz FWIJMNATBACOHV-JTQLQIEISA-N -1 1 265.328 3.230 20 0 CGADMM CCCN(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000521634625 270102808 /nfs/dbraw/zinc/10/28/08/270102808.db2.gz VVOKVXPDJGURJP-UHFFFAOYSA-N -1 1 290.388 3.350 20 0 CGADMM CC(C)c1nocc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000528127626 270155141 /nfs/dbraw/zinc/15/51/41/270155141.db2.gz WHBNUKDCIWXFSP-UHFFFAOYSA-N -1 1 294.380 3.199 20 0 CGADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000528171548 270156433 /nfs/dbraw/zinc/15/64/33/270156433.db2.gz URQSDYDDDJXAAZ-LOKDSWTASA-N -1 1 292.310 3.108 20 0 CGADMM CC(C)OC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000530683019 270201902 /nfs/dbraw/zinc/20/19/02/270201902.db2.gz FDADSAOFAHAGHD-UHFFFAOYSA-N -1 1 297.782 3.075 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cnc2ccsc2c1 ZINC000532621192 270218103 /nfs/dbraw/zinc/21/81/03/270218103.db2.gz KDSPDTUVFFEBQT-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H]1C ZINC000271982680 288028035 /nfs/dbraw/zinc/02/80/35/288028035.db2.gz JWDWONYRJYLMCD-RKDXNWHRSA-N -1 1 287.281 3.139 20 0 CGADMM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ns1 ZINC000334573407 278653437 /nfs/dbraw/zinc/65/34/37/278653437.db2.gz AGAWLPWPNRGPRD-UHFFFAOYSA-N -1 1 268.725 3.063 20 0 CGADMM NC(=O)c1csc(=N[C@@H]2CCc3sc(Cl)cc32)[n-]1 ZINC000335199332 279554919 /nfs/dbraw/zinc/55/49/19/279554919.db2.gz GLNDHGRVFNLACV-ZCFIWIBFSA-N -1 1 299.808 3.263 20 0 CGADMM CC1(CC(=O)Nc2cccc(F)c2[O-])CCCC1 ZINC000530006126 288281599 /nfs/dbraw/zinc/28/15/99/288281599.db2.gz PMNFBESPEWJIAT-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM CC[C@@H](C)n1nc(C(=O)Nc2cccc(F)c2[O-])cc1C ZINC000530005931 288281739 /nfs/dbraw/zinc/28/17/39/288281739.db2.gz ONEQDSMTNIMDEC-SECBINFHSA-N -1 1 291.326 3.260 20 0 CGADMM CCCCn1cc(C(=O)Nc2cccc(F)c2[O-])c(C)n1 ZINC000530005921 288281803 /nfs/dbraw/zinc/28/18/03/288281803.db2.gz OGCJLTSPFXICEX-UHFFFAOYSA-N -1 1 291.326 3.089 20 0 CGADMM C[C@H]1CC(F)(F)CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000530017558 288286201 /nfs/dbraw/zinc/28/62/01/288286201.db2.gz WVZNZKOCDFVCMJ-QMMMGPOBSA-N -1 1 289.709 3.305 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CC12CCCC2 ZINC000530867217 288319746 /nfs/dbraw/zinc/31/97/46/288319746.db2.gz OWWMEBMIRKGXJE-ZDUSSCGKSA-N -1 1 297.358 3.301 20 0 CGADMM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531549350 288338461 /nfs/dbraw/zinc/33/84/61/288338461.db2.gz HUDLRJBTDRONGT-YPMHNXCESA-N -1 1 293.388 3.290 20 0 CGADMM Cc1cnc(C(=O)N2CCCC[C@@H]2CC(C)C)c([O-])c1 ZINC000408371509 292872151 /nfs/dbraw/zinc/87/21/51/292872151.db2.gz BZXDEEHIHGYISR-CYBMUJFWSA-N -1 1 276.380 3.136 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H]2CCC[C@@H](C)CC2)s[n-]1 ZINC000336787553 294344157 /nfs/dbraw/zinc/34/41/57/294344157.db2.gz MDYCFNSSSFSVQC-MXWKQRLJSA-N -1 1 269.414 3.048 20 0 CGADMM CC(C)[N@@H+](Cc1cccc(F)c1)Cc1ncccc1O ZINC000563613577 322003875 /nfs/dbraw/zinc/00/38/75/322003875.db2.gz MVLLBWKUPIJLOD-UHFFFAOYSA-N -1 1 274.339 3.337 20 0 CGADMM CCc1cc(=O)[n-]c(SCC(=O)C2CCCCCC2)n1 ZINC000563854804 322012716 /nfs/dbraw/zinc/01/27/16/322012716.db2.gz GHNPRBCIONAGRX-UHFFFAOYSA-N -1 1 294.420 3.376 20 0 CGADMM CN(Cc1cc(C(=O)[O-])ccc1Cl)[C@@H]1CC1(C)C ZINC000564091640 322020176 /nfs/dbraw/zinc/02/01/76/322020176.db2.gz BCUBRPNXTXFUPO-GFCCVEGCSA-N -1 1 267.756 3.269 20 0 CGADMM CN(CCC1CC1)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000566362825 322119097 /nfs/dbraw/zinc/11/90/97/322119097.db2.gz XGXWOWIQRSTZNA-CYBMUJFWSA-N -1 1 285.746 3.337 20 0 CGADMM Cc1ccc(CN(C)Cc2cc(C(=O)[O-])co2)cc1C ZINC000567293124 322157844 /nfs/dbraw/zinc/15/78/44/322157844.db2.gz NHBOJIAWLDDVTQ-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM CC(C)CCc1nc(CN2CCC[C@@H]2CC(=O)[O-])cs1 ZINC000572371156 322334109 /nfs/dbraw/zinc/33/41/09/322334109.db2.gz PCIYVSQIUHQECX-CYBMUJFWSA-N -1 1 296.436 3.171 20 0 CGADMM O=C(N[C@H]1CC12CCCC2)c1cc(Cl)ccc1[O-] ZINC000387059016 329299775 /nfs/dbraw/zinc/29/97/75/329299775.db2.gz VCFSDEHBVPRNGG-LBPRGKRZSA-N -1 1 265.740 3.108 20 0 CGADMM CCc1nc(S[C@H]2CC[C@@H](C)C2)[n-]c(=O)c1C ZINC000577125462 335305183 /nfs/dbraw/zinc/30/51/83/335305183.db2.gz RTTLNLDJKFUMPU-SCZZXKLOSA-N -1 1 252.383 3.334 20 0 CGADMM O=C([O-])CCC1CCN(Cc2nc(C3CC3)cs2)CC1 ZINC000578995539 335697438 /nfs/dbraw/zinc/69/74/38/335697438.db2.gz MRXUDYFHVMACHY-UHFFFAOYSA-N -1 1 294.420 3.097 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H](C)[C@H]2CC3CCC2CC3)s[n-]1 ZINC000381924549 336077806 /nfs/dbraw/zinc/07/78/06/336077806.db2.gz OQSMMLQTLYHCRK-LQVBTDEGSA-N -1 1 295.452 3.294 20 0 CGADMM COC(=O)c1cc(NC(=O)c2ccccc2[O-])c(C)cc1C ZINC000436887118 533888667 /nfs/dbraw/zinc/88/86/67/533888667.db2.gz OYMITZPFFLZCBX-UHFFFAOYSA-N -1 1 299.326 3.048 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)CC2(C)CCCC2)c1 ZINC000436978907 534230865 /nfs/dbraw/zinc/23/08/65/534230865.db2.gz INGSBQKMKHYJHZ-UHFFFAOYSA-N -1 1 291.347 3.088 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2nnc(C(C)C)s2)n1 ZINC000450908566 536156628 /nfs/dbraw/zinc/15/66/28/536156628.db2.gz MFOWYFUHEGSRCF-UHFFFAOYSA-N -1 1 296.421 3.012 20 0 CGADMM O=C([O-])[C@@H](NCc1cc(Cl)ccc1F)c1ccsc1 ZINC000426793696 534516149 /nfs/dbraw/zinc/51/61/49/534516149.db2.gz RCFSJUIGUMYHNN-LBPRGKRZSA-N -1 1 299.754 3.456 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1C[C@H]2CCCC[C@H]21 ZINC000368629328 534660318 /nfs/dbraw/zinc/66/03/18/534660318.db2.gz ZDVVKFAVCPZZDW-BXKDBHETSA-N -1 1 265.740 3.060 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000111598478 526882165 /nfs/dbraw/zinc/88/21/65/526882165.db2.gz AOHYJWMUQGJHGI-HNNXBMFYSA-N -1 1 296.370 3.197 20 0 CGADMM CC(C)(C)C[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000426829302 527701904 /nfs/dbraw/zinc/70/19/04/527701904.db2.gz ORWLRKNMKKBYJU-ZDUSSCGKSA-N -1 1 275.348 3.412 20 0 CGADMM CC1(CNC(=O)c2c([O-])cccc2F)Cc2ccccc2C1 ZINC000436991537 527973646 /nfs/dbraw/zinc/97/36/46/527973646.db2.gz VMUPYKSDLPYMTG-UHFFFAOYSA-N -1 1 299.345 3.066 20 0 CGADMM CCCC(O)(CCC)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000440228965 528015981 /nfs/dbraw/zinc/01/59/81/528015981.db2.gz XQYAZDGSTWRKFI-UHFFFAOYSA-N -1 1 299.798 3.107 20 0 CGADMM CC(C)c1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000192654929 528199110 /nfs/dbraw/zinc/19/91/10/528199110.db2.gz CUMJKCAFHUDCQH-UHFFFAOYSA-N -1 1 271.316 3.474 20 0 CGADMM CCOc1cc(NC(=O)c2ccccc2[O-])ccc1C ZINC000436748666 528323131 /nfs/dbraw/zinc/32/31/31/528323131.db2.gz PYVNGXRHWHLZFZ-UHFFFAOYSA-N -1 1 271.316 3.352 20 0 CGADMM CCCc1nc(-c2noc(-c3ccc([O-])cc3F)n2)co1 ZINC000436884136 528682360 /nfs/dbraw/zinc/68/23/60/528682360.db2.gz JUZPIHKZWYTRPR-UHFFFAOYSA-N -1 1 289.266 3.189 20 0 CGADMM CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436685345 529000834 /nfs/dbraw/zinc/00/08/34/529000834.db2.gz BHLWZXGODCTKPB-WFASDCNBSA-N -1 1 289.375 3.050 20 0 CGADMM CCN(C(=O)c1cc(F)ccc1[O-])c1cccc(OC)c1 ZINC000436760510 529073100 /nfs/dbraw/zinc/07/31/00/529073100.db2.gz CQQYNYWQQJTFHS-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM COc1ccc(-c2nc(-c3cscc3C)no2)c([O-])c1 ZINC000094865117 536507317 /nfs/dbraw/zinc/50/73/17/536507317.db2.gz LZZVLJMDBKDFPI-UHFFFAOYSA-N -1 1 288.328 3.488 20 0 CGADMM Cc1oc(CNC2(c3ccccc3)CCC2)cc1C(=O)[O-] ZINC000738983785 572398569 /nfs/dbraw/zinc/39/85/69/572398569.db2.gz TXPQYQZSOFVAPD-UHFFFAOYSA-N -1 1 285.343 3.455 20 0 CGADMM O=C([O-])c1ccc(CNCc2ccc3ccccc3n2)cc1 ZINC000740132969 572433955 /nfs/dbraw/zinc/43/39/55/572433955.db2.gz PUFSASBHQFHGND-UHFFFAOYSA-N -1 1 292.338 3.223 20 0 CGADMM O=C([O-])CCN(Cc1ccco1)Cc1ccc(F)c(F)c1 ZINC000734850170 572687816 /nfs/dbraw/zinc/68/78/16/572687816.db2.gz SXRLDVRNINNEQW-UHFFFAOYSA-N -1 1 295.285 3.035 20 0 CGADMM CS[C@H]1CCC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000735332033 572715458 /nfs/dbraw/zinc/71/54/58/572715458.db2.gz VTDZCMNWZSLSIL-UWVGGRQHSA-N -1 1 299.823 3.450 20 0 CGADMM CC(C)(C)SCC(=O)Nc1c([O-])cccc1F ZINC000735925253 572752025 /nfs/dbraw/zinc/75/20/25/572752025.db2.gz QLHAGOSRHISOAQ-UHFFFAOYSA-N -1 1 257.330 3.002 20 0 CGADMM CC[N@@H+](Cc1ccoc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736555014 572799396 /nfs/dbraw/zinc/79/93/96/572799396.db2.gz BDVGZRTZSNHHTN-GFCCVEGCSA-N -1 1 297.362 3.043 20 0 CGADMM CC(C)Cc1ccc(CC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000749399585 572999586 /nfs/dbraw/zinc/99/95/86/572999586.db2.gz LVIUBANUNPBTJC-KRWDZBQOSA-N -1 1 291.391 3.002 20 0 CGADMM CCc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821496170 607307793 /nfs/dbraw/zinc/30/77/93/607307793.db2.gz DRCRAURVWGALKT-UHFFFAOYSA-N -1 1 285.376 3.103 20 0 CGADMM CCc1cccnc1[C@@H](C)NCc1cccc(C(=O)[O-])c1 ZINC000820485719 597663336 /nfs/dbraw/zinc/66/33/36/597663336.db2.gz JCSKLRSQLALTSH-GFCCVEGCSA-N -1 1 284.359 3.193 20 0 CGADMM O=C([O-])c1ccc(CNC2(c3ccccc3F)CC2)cc1 ZINC000821545643 598180340 /nfs/dbraw/zinc/18/03/40/598180340.db2.gz LEZMIYVHWAKFOO-UHFFFAOYSA-N -1 1 285.318 3.303 20 0 CGADMM CCc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000830276575 600752690 /nfs/dbraw/zinc/75/26/90/600752690.db2.gz IVRXDIVMWXJACA-MRXNPFEDSA-N -1 1 287.334 3.304 20 0 CGADMM C[C@H](C(=O)[O-])[C@@H](NC/C(Cl)=C\Cl)c1ccccc1 ZINC000826055016 602046624 /nfs/dbraw/zinc/04/66/24/602046624.db2.gz URTQWZHSAANQKQ-HRPQUPTPSA-N -1 1 288.174 3.357 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccc(F)c(F)c2)c1=O ZINC000899359778 620664137 /nfs/dbraw/zinc/66/41/37/620664137.db2.gz AGQLGRRDLYFEGC-JTQLQIEISA-N -1 1 252.264 3.104 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(F)cc2Cl)c1=O ZINC000899362262 620669556 /nfs/dbraw/zinc/66/95/56/620669556.db2.gz OPFOFTGUWVNAGP-SECBINFHSA-N -1 1 254.692 3.228 20 0 CGADMM C[C@@H](c1ccncc1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000383984805 604718987 /nfs/dbraw/zinc/71/89/87/604718987.db2.gz SVINQVQNCJBSEF-JTQLQIEISA-N -1 1 276.361 3.034 20 0 CGADMM C[C@H](c1cccnc1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833548672 604912820 /nfs/dbraw/zinc/91/28/20/604912820.db2.gz GTRJYXJXSOKNIW-LLVKDONJSA-N -1 1 288.322 3.112 20 0 CGADMM CC(C)c1cnc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)o1 ZINC000833511398 604941827 /nfs/dbraw/zinc/94/18/27/604941827.db2.gz PVPXAYWHTWJJSU-LBPRGKRZSA-N -1 1 294.395 3.121 20 0 CGADMM O=C([O-])c1occc1CNCc1ccccc1C(F)(F)F ZINC000236476007 605085814 /nfs/dbraw/zinc/08/58/14/605085814.db2.gz LEVRCMBTOWWLIO-UHFFFAOYSA-N -1 1 299.248 3.286 20 0 CGADMM CC(C)(NCc1occc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000833460637 605170559 /nfs/dbraw/zinc/17/05/59/605170559.db2.gz KAIOZLWNYPKIIS-UHFFFAOYSA-N -1 1 295.285 3.281 20 0 CGADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc(C(=O)[O-])co1 ZINC000833607361 605700987 /nfs/dbraw/zinc/70/09/87/605700987.db2.gz ZXUFMCFSXYTUIO-PSASIEDQSA-N -1 1 291.269 3.141 20 0 CGADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)C1CCC1 ZINC000824648638 607904196 /nfs/dbraw/zinc/90/41/96/607904196.db2.gz HWVSESRGZQGWKR-SNVBAGLBSA-N -1 1 294.362 3.015 20 0 CGADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)C1CCC1 ZINC000824648638 607904197 /nfs/dbraw/zinc/90/41/97/607904197.db2.gz HWVSESRGZQGWKR-SNVBAGLBSA-N -1 1 294.362 3.015 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2nccnc2c1 ZINC000070333870 617955841 /nfs/dbraw/zinc/95/58/41/617955841.db2.gz XNBHUGSLAPHRCO-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM CCN(C(=O)c1cnc(C2CC2)[n-]c1=O)c1cccc(C)c1 ZINC000900152205 620768415 /nfs/dbraw/zinc/76/84/15/620768415.db2.gz AXMPUHAHANUIKB-UHFFFAOYSA-N -1 1 297.358 3.035 20 0 CGADMM COCc1nc(N[C@@H](C)c2cc(C)sc2C)cc(=O)[n-]1 ZINC000891747392 618274741 /nfs/dbraw/zinc/27/47/41/618274741.db2.gz IECDGWOFAQGEIN-VIFPVBQESA-N -1 1 293.392 3.180 20 0 CGADMM C[C@@H]1CCC[C@@H](c2noc(-c3ccc(N)cc3[O-])n2)C1 ZINC000044977638 618618306 /nfs/dbraw/zinc/61/83/06/618618306.db2.gz RWNSTRXTPCYGGY-NXEZZACHSA-N -1 1 273.336 3.318 20 0 CGADMM CS[C@@H]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000075178214 618766381 /nfs/dbraw/zinc/76/63/81/618766381.db2.gz GOIRRWLGWMQCII-NXEZZACHSA-N -1 1 285.796 3.060 20 0 CGADMM CC1(C)C(C)(C)C1(C)C(=O)[N-]OCCC(F)(F)F ZINC000935501258 618815813 /nfs/dbraw/zinc/81/58/13/618815813.db2.gz GEJAVVSNHAAWDM-UHFFFAOYSA-N -1 1 267.291 3.059 20 0 CGADMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1cccs1 ZINC000188375087 619084694 /nfs/dbraw/zinc/08/46/94/619084694.db2.gz BAFQOUAGFIWGLY-SSDOTTSWSA-N -1 1 282.752 3.244 20 0 CGADMM CCCC[C@@H](CC)C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000067070300 619316105 /nfs/dbraw/zinc/31/61/05/619316105.db2.gz UCGZSNYANUZNAD-SNVBAGLBSA-N -1 1 296.440 3.108 20 0 CGADMM CC(C)C[C@@H](Nc1ccnc2cc(F)ccc21)C(=O)[O-] ZINC000263486508 620321958 /nfs/dbraw/zinc/32/19/58/620321958.db2.gz HLTOOFULWIZCNH-CQSZACIVSA-N -1 1 276.311 3.285 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(F)cc(Cl)c1 ZINC000263484794 620322045 /nfs/dbraw/zinc/32/20/45/620322045.db2.gz HBPJCUNYGSOLCP-MWLCHTKSSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1ccsc1CN[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000901667034 620974774 /nfs/dbraw/zinc/97/47/74/620974774.db2.gz VJEMOQFTCPIJAN-MRXNPFEDSA-N -1 1 287.384 3.072 20 0 CGADMM CC1(C)CN(Cc2ccc(C(=O)[O-])c(Cl)c2)CCS1 ZINC000902282405 621225914 /nfs/dbraw/zinc/22/59/14/621225914.db2.gz RWKURQQQJUWKAN-UHFFFAOYSA-N -1 1 299.823 3.366 20 0 CGADMM CC[C@@H](CC(F)(F)F)NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902336254 621271474 /nfs/dbraw/zinc/27/14/74/621271474.db2.gz KWVKHISZADDBLW-CYNONHLPSA-N -1 1 291.269 3.198 20 0 CGADMM CCc1oc(CN2CCS[C@H](C(C)C)C2)cc1C(=O)[O-] ZINC000902387591 621301273 /nfs/dbraw/zinc/30/12/73/621301273.db2.gz ICYPOMVZUWPWGA-AWEZNQCLSA-N -1 1 297.420 3.114 20 0 CGADMM Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])no2)c1 ZINC000902509681 621349768 /nfs/dbraw/zinc/34/97/68/621349768.db2.gz HNVAMNIVYQDVGR-HNNXBMFYSA-N -1 1 286.331 3.018 20 0 CGADMM Cc1cccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])no2)c1 ZINC000902509681 621349777 /nfs/dbraw/zinc/34/97/77/621349777.db2.gz HNVAMNIVYQDVGR-HNNXBMFYSA-N -1 1 286.331 3.018 20 0 CGADMM C[N@@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C1CC1 ZINC000902509371 621349924 /nfs/dbraw/zinc/34/99/24/621349924.db2.gz CEQUJPBBLZVMCF-UHFFFAOYSA-N -1 1 271.316 3.239 20 0 CGADMM O=C([O-])c1cccc(CN2CCC[C@H]2c2cccs2)n1 ZINC000902507706 621350073 /nfs/dbraw/zinc/35/00/73/621350073.db2.gz GXJQRFGNVPQLIU-ZDUSSCGKSA-N -1 1 288.372 3.178 20 0 CGADMM O=C([O-])c1ccc(CNC2(c3cccc(F)c3)CC2)s1 ZINC000903678292 621787349 /nfs/dbraw/zinc/78/73/49/621787349.db2.gz KCBYKSKIMHQFAJ-UHFFFAOYSA-N -1 1 291.347 3.364 20 0 CGADMM O=C([O-])c1cncc(CN2C[C@@H]3CC[C@H]2c2ccccc23)c1 ZINC000903914461 621827438 /nfs/dbraw/zinc/82/74/38/621827438.db2.gz YPZOYIGMYXQDLU-GUYCJALGSA-N -1 1 294.354 3.214 20 0 CGADMM CC(C)c1cnc(CN2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)o1 ZINC000903954109 621842552 /nfs/dbraw/zinc/84/25/52/621842552.db2.gz WRGYEOFVVSNDFI-OXIQGZBJSA-N -1 1 294.395 3.118 20 0 CGADMM CCCc1ccc(CNCc2ccc(C(=O)[O-])c(C)n2)cc1 ZINC000903992329 621848774 /nfs/dbraw/zinc/84/87/74/621848774.db2.gz CJMPWAVFUJXMRY-UHFFFAOYSA-N -1 1 298.386 3.331 20 0 CGADMM Cc1coc(CN[C@@H](C(=O)[O-])C(C2CCC2)C2CCC2)c1 ZINC000904017494 621851324 /nfs/dbraw/zinc/85/13/24/621851324.db2.gz JGZCDFYLCRWDFW-MRXNPFEDSA-N -1 1 291.391 3.347 20 0 CGADMM Cc1coc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000904005374 621853437 /nfs/dbraw/zinc/85/34/37/621853437.db2.gz QPRCREYRALUIMM-IUODEOHRSA-N -1 1 273.332 3.140 20 0 CGADMM Cc1cc(F)ccc1[C@H](C)NCc1cc(C(=O)[O-])co1 ZINC000905726691 622101022 /nfs/dbraw/zinc/10/10/22/622101022.db2.gz FTBZTECLADJICK-JTQLQIEISA-N -1 1 277.295 3.276 20 0 CGADMM Cc1oc(CNCc2ccc(C)c(F)c2)cc1C(=O)[O-] ZINC000905751913 622103296 /nfs/dbraw/zinc/10/32/96/622103296.db2.gz MERVKOCEAMYVDR-UHFFFAOYSA-N -1 1 277.295 3.024 20 0 CGADMM CC/C(C)=C/C(=O)Nc1cccc([O-])c1Br ZINC000908708632 622368989 /nfs/dbraw/zinc/36/89/89/622368989.db2.gz YTVINVNJGVCRQG-BQYQJAHWSA-N -1 1 284.153 3.450 20 0 CGADMM CC[C@@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908714786 622369765 /nfs/dbraw/zinc/36/97/65/622369765.db2.gz MSQHLCZQZDZGSW-SSDOTTSWSA-N -1 1 272.142 3.139 20 0 CGADMM C[C@H](O)CCCOC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000909858222 622428914 /nfs/dbraw/zinc/42/89/14/622428914.db2.gz DQOMAEJGEREZKE-ZETCQYMHSA-N -1 1 293.146 3.017 20 0 CGADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985142 622440744 /nfs/dbraw/zinc/44/07/44/622440744.db2.gz FNYMGSOFWCCJQD-XLKFXECMSA-N -1 1 269.291 3.291 20 0 CGADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909985678 622441047 /nfs/dbraw/zinc/44/10/47/622441047.db2.gz OLDIMKHXOMAHRL-BDAKNGLRSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@H]1CCC[C@H]1CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909985680 622441477 /nfs/dbraw/zinc/44/14/77/622441477.db2.gz OLDIMKHXOMAHRL-IUCAKERBSA-N -1 1 269.291 3.435 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C(C1CC1)C1CC1 ZINC000909984381 622442157 /nfs/dbraw/zinc/44/21/57/622442157.db2.gz MTHJOMPZCILWQA-UHFFFAOYSA-N -1 1 267.275 3.045 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCC(F)(F)C1 ZINC000909986844 622442440 /nfs/dbraw/zinc/44/24/40/622442440.db2.gz UUFKOOUTCVQHHZ-ZCFIWIBFSA-N -1 1 277.217 3.044 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CC2CCC1CC2 ZINC000909986810 622443844 /nfs/dbraw/zinc/44/38/44/622443844.db2.gz CBCWFQQAAKEUFQ-RTBKNWGFSA-N -1 1 281.302 3.435 20 0 CGADMM C[C@H]1CC[C@H](CC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909983692 622444215 /nfs/dbraw/zinc/44/42/15/622444215.db2.gz AQCHZKJOELBRCB-IUCAKERBSA-N -1 1 269.291 3.435 20 0 CGADMM CC[C@H]1C[C@H](CC(=O)Nc2cc(F)cc(F)c2[O-])CCO1 ZINC000910981474 622512597 /nfs/dbraw/zinc/51/25/97/622512597.db2.gz DGAHJNNEBZTIBJ-KOLCDFICSA-N -1 1 299.317 3.204 20 0 CGADMM Cc1nc(C2CCC2)sc1CC(=O)[N-]OCC1CCC1 ZINC000912724840 622693919 /nfs/dbraw/zinc/69/39/19/622693919.db2.gz UDCZABOMAVCNAD-UHFFFAOYSA-N -1 1 294.420 3.109 20 0 CGADMM O=C(Nc1ccc(F)nc1)c1ccc2ccccc2c1[O-] ZINC000226328757 622962182 /nfs/dbraw/zinc/96/21/82/622962182.db2.gz LRRJZKCSORPVTO-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM COc1ccc(C)cc1[C@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000226599123 622983328 /nfs/dbraw/zinc/98/33/28/622983328.db2.gz UBMJPFXKLAVIRC-QMMMGPOBSA-N -1 1 293.260 3.081 20 0 CGADMM CCCc1nc(CN2CCC[C@](CC)(C(=O)[O-])C2)cs1 ZINC000062877442 623273116 /nfs/dbraw/zinc/27/31/16/623273116.db2.gz VXQCCXCSTTUEQT-HNNXBMFYSA-N -1 1 296.436 3.172 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000088431517 623448220 /nfs/dbraw/zinc/44/82/20/623448220.db2.gz NRCVVRWKUCZRMU-JTQLQIEISA-N -1 1 291.269 3.061 20 0 CGADMM COc1ccc(OC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1 ZINC000916853004 624220461 /nfs/dbraw/zinc/22/04/61/624220461.db2.gz HKKCKCHOWKPHGP-UHFFFAOYSA-N -1 1 298.298 3.206 20 0 CGADMM CCc1nc(SCCCc2cccnc2)[n-]c(=O)c1C ZINC000917841726 624315129 /nfs/dbraw/zinc/31/51/29/624315129.db2.gz AVRKTGIMKPDQNG-UHFFFAOYSA-N -1 1 289.404 3.173 20 0 CGADMM CC(C)(C)c1nc(COC(=O)c2ccc([O-])cc2F)co1 ZINC000922582279 626015825 /nfs/dbraw/zinc/01/58/25/626015825.db2.gz HHXZURFNHQIXKE-UHFFFAOYSA-N -1 1 293.294 3.174 20 0 CGADMM CCC(C)(C)CNC(=O)c1c([O-])cccc1Cl ZINC000760554165 626978483 /nfs/dbraw/zinc/97/84/83/626978483.db2.gz FSZITYPYEZIVRJ-UHFFFAOYSA-N -1 1 255.745 3.212 20 0 CGADMM CCC[C@H](C)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000761853558 627067043 /nfs/dbraw/zinc/06/70/43/627067043.db2.gz WQLCTZNAEDGSRY-QMMMGPOBSA-N -1 1 250.273 3.485 20 0 CGADMM C[C@@H]1CCC(=CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000762792739 627124541 /nfs/dbraw/zinc/12/45/41/627124541.db2.gz DPWFPNXRZPHZSY-ZGSOTFDTSA-N -1 1 297.358 3.467 20 0 CGADMM O=C(C=C(C1CC1)C1CC1)Nc1c([O-])cccc1F ZINC000762807393 627125421 /nfs/dbraw/zinc/12/54/21/627125421.db2.gz YMTHSSSQFAQHHS-UHFFFAOYSA-N -1 1 261.296 3.216 20 0 CGADMM O=C(Nc1ccc2nc[nH]c2c1)c1c([O-])cccc1Cl ZINC000769726665 627574695 /nfs/dbraw/zinc/57/46/95/627574695.db2.gz JAXSKNMVBBXRGQ-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM CSCC[C@@H](C)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769879440 627586704 /nfs/dbraw/zinc/58/67/04/627586704.db2.gz LWWNXSNHEBYJHW-SECBINFHSA-N -1 1 287.812 3.259 20 0 CGADMM CC(C)c1nsc([N-]C(=O)c2ccc(C(F)F)o2)n1 ZINC000874693108 634592896 /nfs/dbraw/zinc/59/28/96/634592896.db2.gz QOBSPODRFHFYII-UHFFFAOYSA-N -1 1 287.291 3.444 20 0 CGADMM O=C(OCCCc1ccccc1)c1ccc([O-])cc1F ZINC000773569148 627898008 /nfs/dbraw/zinc/89/80/08/627898008.db2.gz UXTMUICLOUFEID-UHFFFAOYSA-N -1 1 274.291 3.321 20 0 CGADMM CCc1ccc([C@H](C)C(=O)[N-]OC2CCCC2)cc1 ZINC000774865682 628043821 /nfs/dbraw/zinc/04/38/21/628043821.db2.gz HYSNUFFCYRTJRI-LBPRGKRZSA-N -1 1 261.365 3.343 20 0 CGADMM O=C([N-]Oc1ccccc1F)[C@H]1CCCC2(CC2)C1 ZINC000874911447 634650847 /nfs/dbraw/zinc/65/08/47/634650847.db2.gz UFEMZVWLSKYTSQ-NSHDSACASA-N -1 1 263.312 3.206 20 0 CGADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)[N-]Oc1ccccc1F ZINC000874911828 634650950 /nfs/dbraw/zinc/65/09/50/634650950.db2.gz XCDXPBXJCDWIPW-JSGCOSHPSA-N -1 1 299.292 3.451 20 0 CGADMM CC[C@@H](C)[C@@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000780244841 628468956 /nfs/dbraw/zinc/46/89/56/628468956.db2.gz XAHAHNIGWZHSMH-VXGBXAGGSA-N -1 1 292.375 3.363 20 0 CGADMM CC1(C)CN(C(=O)c2c([O-])cccc2Cl)CC(C)(C)O1 ZINC000785794332 628888379 /nfs/dbraw/zinc/88/83/79/628888379.db2.gz CBNKHMHSWYKAEJ-UHFFFAOYSA-N -1 1 297.782 3.075 20 0 CGADMM CCCCOc1ccc(C(=O)NOC2CCCC2)c([O-])c1 ZINC000789843514 629170456 /nfs/dbraw/zinc/17/04/56/629170456.db2.gz LXUYWUDYEKOBCG-UHFFFAOYSA-N -1 1 293.363 3.175 20 0 CGADMM COc1cc(C(=O)Nc2ncccc2C)cc(Cl)c1[O-] ZINC000790642395 629222680 /nfs/dbraw/zinc/22/26/80/629222680.db2.gz LNZMZCNETUBWJM-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM Cc1[nH]nc(NC(=O)c2ccc(C(C)C)cc2[O-])c1Cl ZINC000790972988 629244846 /nfs/dbraw/zinc/24/48/46/629244846.db2.gz MSAOOJAOGMHWOI-UHFFFAOYSA-N -1 1 293.754 3.453 20 0 CGADMM C[C@H]1CCSCCN1C(=O)c1c([O-])cccc1Cl ZINC000791907583 629318321 /nfs/dbraw/zinc/31/83/21/629318321.db2.gz UXRXETWJIOSMQE-VIFPVBQESA-N -1 1 285.796 3.013 20 0 CGADMM CC1(C)CCC(C)(NC(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000862966599 629453836 /nfs/dbraw/zinc/45/38/36/629453836.db2.gz DCIUUWVFLSAVEZ-UHFFFAOYSA-N -1 1 289.375 3.050 20 0 CGADMM CC(=O)CCCCCCC(=O)Nc1cccc(F)c1[O-] ZINC000863009237 629459327 /nfs/dbraw/zinc/45/93/27/629459327.db2.gz BUCPWQZJDLGSCB-UHFFFAOYSA-N -1 1 281.327 3.399 20 0 CGADMM O=C(C=C(C1CC1)C1CC1)Nc1cccc(F)c1[O-] ZINC000863009126 629459623 /nfs/dbraw/zinc/45/96/23/629459623.db2.gz AQLODMCHLGBBBB-UHFFFAOYSA-N -1 1 261.296 3.216 20 0 CGADMM CC[C@H](C)CC[C@@H](O)CC(=O)Nc1c([O-])cccc1F ZINC000793734862 629498941 /nfs/dbraw/zinc/49/89/41/629498941.db2.gz CWVDLAIKZZTMOD-WDEREUQCSA-N -1 1 283.343 3.047 20 0 CGADMM O=C(OCc1cnc2ccccc2c1)c1ccc([O-])cc1F ZINC000798645901 630080054 /nfs/dbraw/zinc/08/00/54/630080054.db2.gz FTOJEASGEDHMLR-UHFFFAOYSA-N -1 1 297.285 3.437 20 0 CGADMM CC(C)SCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000800836057 630303519 /nfs/dbraw/zinc/30/35/19/630303519.db2.gz YUQPGRDVPMIPHX-UHFFFAOYSA-N -1 1 298.355 3.435 20 0 CGADMM CC(C)C1(NC(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000876396457 634826469 /nfs/dbraw/zinc/82/64/69/634826469.db2.gz GGWPJJMGXDUACK-UHFFFAOYSA-N -1 1 282.771 3.033 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccccc1CC(C)(C)C ZINC000820407444 632619706 /nfs/dbraw/zinc/61/97/06/632619706.db2.gz LNAKAMXXCWPVGX-UHFFFAOYSA-N -1 1 287.363 3.265 20 0 CGADMM CC(C)OC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCC1 ZINC000821147226 632731097 /nfs/dbraw/zinc/73/10/97/632731097.db2.gz AKZWWYIWXDCFNM-UHFFFAOYSA-N -1 1 283.755 3.332 20 0 CGADMM O=C(Cc1csc(C2CC2)n1)Nc1c([O-])cccc1F ZINC000821343981 632755747 /nfs/dbraw/zinc/75/57/47/632755747.db2.gz BQSIICHGOWVJBB-UHFFFAOYSA-N -1 1 292.335 3.046 20 0 CGADMM CCCCCC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000866378814 633112220 /nfs/dbraw/zinc/11/22/20/633112220.db2.gz CPRXVXCFWYHVQY-UHFFFAOYSA-N -1 1 281.324 3.076 20 0 CGADMM CC(=CC1CCC(C)CC1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000868544217 633334786 /nfs/dbraw/zinc/33/47/86/633334786.db2.gz BRIMMVGHICODIF-NTMALXAHSA-N -1 1 277.368 3.135 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000827447912 633491760 /nfs/dbraw/zinc/49/17/60/633491760.db2.gz MLDNQKWBRXUOOE-GARJFASQSA-N -1 1 263.312 3.296 20 0 CGADMM Cc1cnc([C@@H](C)OC(=O)Cc2ccc([O-])c(Cl)c2)o1 ZINC000869736835 633501920 /nfs/dbraw/zinc/50/19/20/633501920.db2.gz ROYFSBCKKAFVPA-SECBINFHSA-N -1 1 295.722 3.189 20 0 CGADMM CC(C)SCCOC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869734788 633501926 /nfs/dbraw/zinc/50/19/26/633501926.db2.gz KXJYLCBRUCJGJU-UHFFFAOYSA-N -1 1 288.796 3.273 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@H]1CC12CCCC2 ZINC000872985740 634227581 /nfs/dbraw/zinc/22/75/81/634227581.db2.gz DWSPDFPZKZDRQG-ZDUSSCGKSA-N -1 1 294.782 3.178 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@]12C[C@H]1CCCC2 ZINC000834819280 634246591 /nfs/dbraw/zinc/24/65/91/634246591.db2.gz WGZNJVLRGYQLFH-IAQYHMDHSA-N -1 1 279.767 3.242 20 0 CGADMM CC(C)=C(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834829529 634250318 /nfs/dbraw/zinc/25/03/18/634250318.db2.gz WSTLDQRCFSTGDC-UHFFFAOYSA-N -1 1 253.729 3.018 20 0 CGADMM CCC(=CC(=O)NCc1ccc([O-])c(Cl)c1)CC ZINC000834829345 634250728 /nfs/dbraw/zinc/25/07/28/634250728.db2.gz UGSDQNSTYDUTEG-UHFFFAOYSA-N -1 1 267.756 3.408 20 0 CGADMM CC(C)C[C@H](C(=O)[O-])N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000846233646 636164291 /nfs/dbraw/zinc/16/42/91/636164291.db2.gz SKZRVYUWKYQMQK-MRVWCRGKSA-N -1 1 279.380 3.334 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc2c1OCO2 ZINC000129629941 636322418 /nfs/dbraw/zinc/32/24/18/636322418.db2.gz ZUPVMDPEEQVWNA-UHFFFAOYSA-N -1 1 291.690 3.027 20 0 CGADMM Cc1cnc(SCc2ccc(N(C)C)c(C)c2)[n-]c1=O ZINC000849903300 636904952 /nfs/dbraw/zinc/90/49/52/636904952.db2.gz OBWZDEAEBBQRRC-UHFFFAOYSA-N -1 1 289.404 3.157 20 0 CGADMM CSC1(CNc2cc(Cl)[n-]c(=O)n2)CCCCC1 ZINC000884690380 637128812 /nfs/dbraw/zinc/12/88/12/637128812.db2.gz XHKNVPITSVRRNQ-UHFFFAOYSA-N -1 1 287.816 3.313 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1C[C@H]2C[C@H]2C1 ZINC000885680270 637285383 /nfs/dbraw/zinc/28/53/83/637285383.db2.gz OHRVVRYUZSHVCP-JIGDXULJSA-N -1 1 269.703 3.169 20 0 CGADMM CCCCC1(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000886271717 637476468 /nfs/dbraw/zinc/47/64/68/637476468.db2.gz SXHSLMYCBUBQLL-UHFFFAOYSA-N -1 1 297.345 3.300 20 0 CGADMM O=C(Nc1cccc(SC(F)F)c1)c1cncc([O-])c1 ZINC000111598653 637919650 /nfs/dbraw/zinc/91/96/50/637919650.db2.gz BJLSVLMWOIJIFE-UHFFFAOYSA-N -1 1 296.298 3.354 20 0 CGADMM O=C([N-]Oc1ccccc1)C1CC2(C1)CCCCC2 ZINC000854536635 638068371 /nfs/dbraw/zinc/06/83/71/638068371.db2.gz SRYABNLUWPSYFD-UHFFFAOYSA-N -1 1 259.349 3.457 20 0 CGADMM C[C@H](C(=O)[N-]OCC1CCC1)c1cn(C)c2ccccc12 ZINC000856350204 638349912 /nfs/dbraw/zinc/34/99/12/638349912.db2.gz FQHCIDVECGSMAW-LBPRGKRZSA-N -1 1 286.375 3.130 20 0 CGADMM Cc1ccc(OCCCNc2cc(Cl)[n-]c(=O)n2)cc1 ZINC000858382927 638699187 /nfs/dbraw/zinc/69/91/87/638699187.db2.gz TVBFAQQCSMZXPN-UHFFFAOYSA-N -1 1 293.754 3.025 20 0 CGADMM CCCCC[C@H]1CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858450154 638722656 /nfs/dbraw/zinc/72/26/56/638722656.db2.gz ADNQSHIICPBDGH-JTQLQIEISA-N -1 1 269.776 3.385 20 0 CGADMM CC1(C)CCC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858510199 638751693 /nfs/dbraw/zinc/75/16/93/638751693.db2.gz WOLMDUDAAYPFGT-MRVPVSSYSA-N -1 1 255.749 3.216 20 0 CGADMM C[C@H]1C[C@@H](C(C)(C)C)CCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858548295 638759243 /nfs/dbraw/zinc/75/92/43/638759243.db2.gz STQFMHKZYFWPMR-UWVGGRQHSA-N -1 1 283.803 3.487 20 0 CGADMM O=c1nc(NCC[C@@H]2CCc3ccccc32)cc(Cl)[n-]1 ZINC000858557761 638761152 /nfs/dbraw/zinc/76/11/52/638761152.db2.gz YURNVGCETPMOBJ-NSHDSACASA-N -1 1 289.766 3.368 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@@]12C[C@@H]1CCCC2 ZINC000927463492 638861359 /nfs/dbraw/zinc/86/13/59/638861359.db2.gz PLWCEOUEOCAXEP-BLLLJJGKSA-N -1 1 293.794 3.285 20 0 CGADMM Cc1noc(C(C)C)c1[N-]C(=O)c1noc2c1CCCC2 ZINC000928787067 638892066 /nfs/dbraw/zinc/89/20/66/638892066.db2.gz SBALJDHUHKATSU-UHFFFAOYSA-N -1 1 289.335 3.226 20 0 CGADMM Cc1noc(C(C)C)c1[N-]C(=O)c1ccnc(F)c1F ZINC000928788901 638892406 /nfs/dbraw/zinc/89/24/06/638892406.db2.gz YCHSJKPVHUXQPJ-UHFFFAOYSA-N -1 1 281.262 3.032 20 0 CGADMM Cc1oc(CN2CCC(OC(C)(C)C)CC2)cc1C(=O)[O-] ZINC000859783527 639212737 /nfs/dbraw/zinc/21/27/37/639212737.db2.gz XDDCODWRPWDNIB-UHFFFAOYSA-N -1 1 295.379 3.066 20 0 CGADMM Cc1cc(F)ccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188344815 640130788 /nfs/dbraw/zinc/13/07/88/640130788.db2.gz ISXCMPOLVUOPBJ-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM CC(C)(C)c1nnc(NCc2c([O-])ccc(Cl)c2F)o1 ZINC000191527980 640317019 /nfs/dbraw/zinc/31/70/19/640317019.db2.gz ISBKMNRRHVLKSM-UHFFFAOYSA-N -1 1 299.733 3.477 20 0 CGADMM O=C([O-])CC1CCN(Cc2cc(Cl)cs2)CC1 ZINC000093682506 640779855 /nfs/dbraw/zinc/77/98/55/640779855.db2.gz BMFVXCMDLWXHAO-UHFFFAOYSA-N -1 1 273.785 3.088 20 0 CGADMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000254288606 640906360 /nfs/dbraw/zinc/90/63/60/640906360.db2.gz MRGAGDMCVDFJLP-UHFFFAOYSA-N -1 1 254.289 3.221 20 0 CGADMM [O-]c1cc(-c2nccc(C(F)(F)F)n2)ccc1F ZINC001250467284 805636313 /nfs/dbraw/zinc/63/63/13/805636313.db2.gz SMOJYUKPFKWKMR-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM Cc1cc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2cc1F ZINC001250479817 805643052 /nfs/dbraw/zinc/64/30/52/805643052.db2.gz KQNZELYQDDTKNL-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM Cc1ccc(F)c(CN(C)C(=O)c2cccc([O-])c2F)c1 ZINC001156073890 805650338 /nfs/dbraw/zinc/65/03/38/805650338.db2.gz KSHFVHMNLGAREJ-UHFFFAOYSA-N -1 1 291.297 3.251 20 0 CGADMM COC(C)(C)[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC001156345221 805676411 /nfs/dbraw/zinc/67/64/11/805676411.db2.gz SFQKGPIMGYINTA-LLVKDONJSA-N -1 1 287.359 3.089 20 0 CGADMM COc1ncccc1-c1c(Cl)ccc([O-])c1F ZINC001250534684 805682989 /nfs/dbraw/zinc/68/29/89/805682989.db2.gz XZXWXAURYZFSGY-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM O=C(Nc1cccc(-c2ccon2)c1)c1ccc([O-])cc1F ZINC001156683599 805726204 /nfs/dbraw/zinc/72/62/04/805726204.db2.gz RGGMDQKMQDTNHS-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM CCC[C@H](C)CC(=O)NCCc1c(F)cc([O-])cc1F ZINC001156714375 805728140 /nfs/dbraw/zinc/72/81/40/805728140.db2.gz HAQWOJPDVJRTEY-JTQLQIEISA-N -1 1 285.334 3.155 20 0 CGADMM COc1ccc(F)cc1-c1c(F)cc([O-])cc1F ZINC001250621566 805731066 /nfs/dbraw/zinc/73/10/66/805731066.db2.gz PJQHEDVCAVBHLH-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM [O-]c1ccc(Cl)c(NC[C@H](O)C(F)(F)F)c1Cl ZINC001250980717 805816531 /nfs/dbraw/zinc/81/65/31/805816531.db2.gz DMLCTIALTWXHCF-LURJTMIESA-N -1 1 290.068 3.034 20 0 CGADMM Cc1ccc2nc(-c3cc(C(=O)[O-])ccc3F)[nH]c2c1 ZINC001251014118 805829872 /nfs/dbraw/zinc/82/98/72/805829872.db2.gz AIFNWVPWCNMLJF-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM [O-]c1cccc(-c2nc3cc4c(cc3[nH]2)OCO4)c1Cl ZINC001251203545 805861985 /nfs/dbraw/zinc/86/19/85/805861985.db2.gz LXAWXDMBNPJRDQ-UHFFFAOYSA-N -1 1 288.690 3.318 20 0 CGADMM Cc1cnc(Cl)c(C(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001157811361 805876035 /nfs/dbraw/zinc/87/60/35/805876035.db2.gz CGYWOKJIPCAQFJ-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM COc1ccc2c(c1)nc(-c1c([O-])ccc(F)c1F)n2C ZINC001251319075 805880817 /nfs/dbraw/zinc/88/08/17/805880817.db2.gz LNNLNRVKBHPFNH-UHFFFAOYSA-N -1 1 290.269 3.233 20 0 CGADMM O=C([O-])c1c(F)ccc(-c2nc3ccc(F)cc3[nH]2)c1F ZINC001251846246 805942724 /nfs/dbraw/zinc/94/27/24/805942724.db2.gz FEQZYRAYYNILAT-UHFFFAOYSA-N -1 1 292.216 3.345 20 0 CGADMM [O-]c1cc(-c2nnc(-c3ccc(F)cc3)o2)ccc1F ZINC001252252591 806034239 /nfs/dbraw/zinc/03/42/39/806034239.db2.gz VKHZXJLGLNVTDQ-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CSc1nc(Nc2ccc3cc(N)ccc3c2)cc(=O)[n-]1 ZINC001159198232 806056827 /nfs/dbraw/zinc/05/68/27/806056827.db2.gz QCGQHLUAIXSHAN-UHFFFAOYSA-N -1 1 298.371 3.383 20 0 CGADMM CCS(=O)(=O)[N-]c1cc(F)ccc1OCC(C)(C)C ZINC001253366964 806210373 /nfs/dbraw/zinc/21/03/73/806210373.db2.gz NCNMFTDZULLWKX-UHFFFAOYSA-N -1 1 289.372 3.012 20 0 CGADMM [O-]c1ccc(-c2nnc(-c3cccc(F)c3)o2)cc1F ZINC001254206188 806364283 /nfs/dbraw/zinc/36/42/83/806364283.db2.gz TZGMBZRBTXTDQS-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C(C)(C)C1 ZINC000380371536 799362824 /nfs/dbraw/zinc/36/28/24/799362824.db2.gz DGLKEUROEIZHBF-SECBINFHSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(Nc1cccc2ccccc21)c1ccc([O-])cn1 ZINC000586730967 799682926 /nfs/dbraw/zinc/68/29/26/799682926.db2.gz LFEZBDWWDIQACM-UHFFFAOYSA-N -1 1 264.284 3.193 20 0 CGADMM CCc1cc(=O)[n-]c(SC/C(Cl)=C\Cl)n1 ZINC000588596171 799719112 /nfs/dbraw/zinc/71/91/12/799719112.db2.gz VWSCGJLPJAQGNR-GQCTYLIASA-N -1 1 265.165 3.156 20 0 CGADMM C[C@H]1CC(F)(F)CCN1Cc1cc(C(=O)[O-])cs1 ZINC000711430381 800057930 /nfs/dbraw/zinc/05/79/30/800057930.db2.gz HVGHXBTXCSLLHF-QMMMGPOBSA-N -1 1 275.320 3.066 20 0 CGADMM CSC1CCC(CNC(=O)c2ccc([O-])cc2F)CC1 ZINC000720542095 800261323 /nfs/dbraw/zinc/26/13/23/800261323.db2.gz WLHMPWHIGJTDEK-UHFFFAOYSA-N -1 1 297.395 3.183 20 0 CGADMM O=C([O-])c1csc(CN(Cc2ccoc2)C2CC2)c1 ZINC000723733240 800337468 /nfs/dbraw/zinc/33/74/68/800337468.db2.gz VIFSGYHYRCWYAJ-UHFFFAOYSA-N -1 1 277.345 3.204 20 0 CGADMM CC(C)(C)CC(C)(C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000828198187 800481602 /nfs/dbraw/zinc/48/16/02/800481602.db2.gz SFWIJJWXNXRCSC-UHFFFAOYSA-N -1 1 291.395 3.004 20 0 CGADMM C[C@@H]1C[C@H]1c1nnc(-c2cc(Br)ccc2[O-])o1 ZINC001256619309 806927463 /nfs/dbraw/zinc/92/74/63/806927463.db2.gz XFWNGEWSEFIUCY-HTRCEHHLSA-N -1 1 295.136 3.328 20 0 CGADMM C[C@@H]1C[C@H]1c1nnc(-c2c(O)cc3ccccc3c2[O-])o1 ZINC001256632434 806933188 /nfs/dbraw/zinc/93/31/88/806933188.db2.gz FZQMVXDNDMVTSW-LDYMZIIASA-N -1 1 282.299 3.424 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001117612615 802471424 /nfs/dbraw/zinc/47/14/24/802471424.db2.gz BQIQWFJQHAJKQK-WDEREUQCSA-N -1 1 295.329 3.323 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C[C@H]1C ZINC001119530069 802676962 /nfs/dbraw/zinc/67/69/62/802676962.db2.gz REVRLZVVLHPTIV-VXGBXAGGSA-N -1 1 299.370 3.369 20 0 CGADMM CNC(=S)[N-]c1ccccc1SC(C)(C)C ZINC001200609135 811717078 /nfs/dbraw/zinc/71/70/78/811717078.db2.gz HBWGMVQMQCORFH-UHFFFAOYSA-N -1 1 254.424 3.493 20 0 CGADMM C[S@@](=O)c1ccccc1-c1cc(F)c([O-])c(F)c1 ZINC001244094852 803182686 /nfs/dbraw/zinc/18/26/86/803182686.db2.gz WITKJIDDEVFHQW-GOSISDBHSA-N -1 1 268.284 3.075 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3c(c2)COCC3)cc1F ZINC001244097620 803185672 /nfs/dbraw/zinc/18/56/72/803185672.db2.gz ORNZLSBRASNHLF-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM Cc1c(-c2ccc([P@@](=O)([O-])O)cc2)cccc1C1CC1 ZINC001244132283 803202031 /nfs/dbraw/zinc/20/20/31/803202031.db2.gz KYPJEEWRQRACJT-UHFFFAOYSA-N -1 1 288.283 3.342 20 0 CGADMM Cc1c(-c2ccc([P@](=O)([O-])O)cc2)cccc1C1CC1 ZINC001244132283 803202034 /nfs/dbraw/zinc/20/20/34/803202034.db2.gz KYPJEEWRQRACJT-UHFFFAOYSA-N -1 1 288.283 3.342 20 0 CGADMM COc1cc(C(=O)[O-])cc(-c2ccc3nc[nH]c3c2C)c1 ZINC001244176397 803226083 /nfs/dbraw/zinc/22/60/83/803226083.db2.gz MRSWKFKKLAJSCC-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM Cc1nc(Cl)sc1C(=O)[N-]c1c(F)ccnc1F ZINC001129367284 803230116 /nfs/dbraw/zinc/23/01/16/803230116.db2.gz OFLBJCOIYFTTLO-UHFFFAOYSA-N -1 1 289.694 3.030 20 0 CGADMM Cc1cc(F)cc(-c2ccc(-c3nnn[n-]3)nc2)c1Cl ZINC001244354682 803323887 /nfs/dbraw/zinc/32/38/87/803323887.db2.gz NQZMJHQAMHQAIP-UHFFFAOYSA-N -1 1 289.701 3.030 20 0 CGADMM Cc1cc(F)cc(-c2ccc(-c3nn[n-]n3)nc2)c1Cl ZINC001244354682 803323894 /nfs/dbraw/zinc/32/38/94/803323894.db2.gz NQZMJHQAMHQAIP-UHFFFAOYSA-N -1 1 289.701 3.030 20 0 CGADMM COc1ccc2cnc(-c3cc(C)ccc3[O-])nc2c1 ZINC001244401428 803350701 /nfs/dbraw/zinc/35/07/01/803350701.db2.gz AQVLECNPOAEUBW-UHFFFAOYSA-N -1 1 266.300 3.319 20 0 CGADMM COC(=O)c1cccc2cnc(-c3cc(C)ccc3[O-])nc21 ZINC001244403389 803351459 /nfs/dbraw/zinc/35/14/59/803351459.db2.gz VSTKSIKTDTZSCR-UHFFFAOYSA-N -1 1 294.310 3.097 20 0 CGADMM CCOc1cncc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244537928 803425893 /nfs/dbraw/zinc/42/58/93/803425893.db2.gz IRRXVCPFAALCTM-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM Cc1cnc(-c2c(F)c([O-])ccc2Cl)c(N)c1 ZINC001244539436 803426368 /nfs/dbraw/zinc/42/63/68/803426368.db2.gz VOGBBBSCSVIGQJ-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM Cc1cc(-c2c(Cl)ccc([O-])c2F)nnc1C ZINC001244539121 803426539 /nfs/dbraw/zinc/42/65/39/803426539.db2.gz RUWFHDVANSGGAS-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM Cc1cc(-c2ccc3nccn3n2)cc(Cl)c1[O-] ZINC001244538852 803426658 /nfs/dbraw/zinc/42/66/58/803426658.db2.gz YEVGSVCRCVSWQW-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM CCc1nnc(-c2cc(C)c([O-])c(Cl)c2)nc1CC ZINC001244539246 803426698 /nfs/dbraw/zinc/42/66/98/803426698.db2.gz SBJXVLYNOGWHDB-UHFFFAOYSA-N -1 1 277.755 3.331 20 0 CGADMM Cc1c[nH]c2nc(-c3c(Cl)ccc([O-])c3F)ncc12 ZINC001244539367 803427241 /nfs/dbraw/zinc/42/72/41/803427241.db2.gz YGUYFGZHKYSANQ-UHFFFAOYSA-N -1 1 277.686 3.383 20 0 CGADMM Cn1cnc2ccc(-c3c(Cl)ccc([O-])c3F)nc21 ZINC001244539288 803427269 /nfs/dbraw/zinc/42/72/69/803427269.db2.gz UVWASLVJUUBFTG-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM COC(=O)c1cc(-c2c(Cl)ccc([O-])c2F)ccn1 ZINC001244540498 803428191 /nfs/dbraw/zinc/42/81/91/803428191.db2.gz XCTIYKDIWZSMFM-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM O=C(Nc1ccccc1Cl)c1ccc(F)c([O-])c1 ZINC001135678985 803609550 /nfs/dbraw/zinc/60/95/50/803609550.db2.gz HZANNVHGBYYCJP-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM CC1(C)[C@H](C(=O)[N-]O[C@H]2CCCCO2)[C@H]1c1ccccc1 ZINC001136459578 803644433 /nfs/dbraw/zinc/64/44/33/803644433.db2.gz AEONJWPEGPZNMA-ZNMIVQPWSA-N -1 1 289.375 3.001 20 0 CGADMM CCc1ccc(C(C)(C)NC(=O)c2ncccc2[O-])cc1 ZINC001137188236 803695750 /nfs/dbraw/zinc/69/57/50/803695750.db2.gz SNHJATWQCXLJRK-UHFFFAOYSA-N -1 1 284.359 3.015 20 0 CGADMM Cc1c(N)c(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1F ZINC001137674398 803755598 /nfs/dbraw/zinc/75/55/98/803755598.db2.gz SHVNQBYERJQWIT-UHFFFAOYSA-N -1 1 294.713 3.328 20 0 CGADMM Cc1nc2cncc(-c3cc(Cl)c([O-])cc3F)c2[nH]1 ZINC001245671223 803901050 /nfs/dbraw/zinc/90/10/50/803901050.db2.gz QWVGZYBSOUUQPD-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM Cc1nc2c[nH]cc(-c3cc(Cl)c([O-])cc3F)c-2n1 ZINC001245671223 803901054 /nfs/dbraw/zinc/90/10/54/803901054.db2.gz QWVGZYBSOUUQPD-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM COC(=O)c1ccc(C)c(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245828177 803982500 /nfs/dbraw/zinc/98/25/00/803982500.db2.gz PYVFQSDFFLPKLT-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COCc1nc(C)cc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245830893 803984218 /nfs/dbraw/zinc/98/42/18/803984218.db2.gz YDTDHGXFZXEIMO-UHFFFAOYSA-N -1 1 282.702 3.097 20 0 CGADMM CCc1cc(-c2c(F)ccc([O-])c2Cl)ncn1 ZINC001245830907 803985343 /nfs/dbraw/zinc/98/53/43/803985343.db2.gz YVCPQSSQNGOZIK-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc3c(c2)CCCN3)c1Cl ZINC001245833770 803989208 /nfs/dbraw/zinc/98/92/08/803989208.db2.gz BJFICOZRKDKMTH-UHFFFAOYSA-N -1 1 278.714 3.248 20 0 CGADMM Cc1cc(=O)n(-c2ccccc2OCc2ccccc2)[n-]1 ZINC001245928245 804056255 /nfs/dbraw/zinc/05/62/55/804056255.db2.gz SAJXCXLVGBVPBF-UHFFFAOYSA-N -1 1 280.327 3.465 20 0 CGADMM C[C@H](c1cccc(O)c1)n1[n-]c(-c2ccc(N)cc2)cc1=O ZINC001245935520 804065945 /nfs/dbraw/zinc/06/59/45/804065945.db2.gz CCZYIXIIHOLGBX-LLVKDONJSA-N -1 1 295.342 3.153 20 0 CGADMM COc1ccc(-n2[n-]c(CC3CCC3)cc2=O)cc1F ZINC001245937506 804069020 /nfs/dbraw/zinc/06/90/20/804069020.db2.gz SRUJHSVOAJXXNU-UHFFFAOYSA-N -1 1 276.311 3.068 20 0 CGADMM O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc([O-])cn1 ZINC001140102338 804376615 /nfs/dbraw/zinc/37/66/15/804376615.db2.gz HWNICBDCYZGUMZ-HUUCEWRRSA-N -1 1 296.370 3.243 20 0 CGADMM Cc1[nH]c(CN2CCC[C@H]2c2ccccn2)c(C)c1C(=O)[O-] ZINC001140495893 804446973 /nfs/dbraw/zinc/44/69/73/804446973.db2.gz JMMXLNZEVBSAKS-HNNXBMFYSA-N -1 1 299.374 3.062 20 0 CGADMM C[C@H](CC(=O)Nc1ccc([O-])c(F)c1F)c1ccco1 ZINC001140657040 804485377 /nfs/dbraw/zinc/48/53/77/804485377.db2.gz HKQJWZGVUVRBGG-MRVPVSSYSA-N -1 1 281.258 3.396 20 0 CGADMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc(Cl)cc1[O-] ZINC001140869469 804538681 /nfs/dbraw/zinc/53/86/81/804538681.db2.gz KWOQXKYAZPPXCC-CABZTGNLSA-N -1 1 267.756 3.068 20 0 CGADMM O=C1CCN(Cc2ccc([O-])c(F)c2F)[C@H]2CCCC[C@@H]12 ZINC001140890181 804543142 /nfs/dbraw/zinc/54/31/42/804543142.db2.gz YCKIGFJOYFDIRS-NEPJUHHUSA-N -1 1 295.329 3.004 20 0 CGADMM O=C([O-])c1cc(Cl)ccc1CN1CCC[C@@H]2C[C@@H]21 ZINC001142669147 804752662 /nfs/dbraw/zinc/75/26/62/804752662.db2.gz ARJYAXZCMOWOCA-RNCFNFMXSA-N -1 1 265.740 3.023 20 0 CGADMM CN(Cc1cccc(O)c1)Cc1c(F)cc([O-])cc1F ZINC001144542483 805000338 /nfs/dbraw/zinc/00/03/38/805000338.db2.gz ZTDLQEVIPCKWFZ-UHFFFAOYSA-N -1 1 279.286 3.008 20 0 CGADMM [O-]c1cc(F)c(CN2CCCC(F)(F)[C@@H](F)C2)c(F)c1 ZINC001144544797 805002353 /nfs/dbraw/zinc/00/23/53/805002353.db2.gz HQZMTCSNWCDKSL-LBPRGKRZSA-N -1 1 295.251 3.240 20 0 CGADMM CC(C)OC1CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144554779 805004044 /nfs/dbraw/zinc/00/40/44/805004044.db2.gz HILVBXPKIFHHRG-UHFFFAOYSA-N -1 1 285.334 3.060 20 0 CGADMM CN(Cc1ccccc1F)Cc1c(F)cc([O-])cc1F ZINC001144554847 805004406 /nfs/dbraw/zinc/00/44/06/805004406.db2.gz JOCNIRWACFQNRJ-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM [O-]c1cc(F)c(CN2Cc3ccc(F)cc3C2)c(F)c1 ZINC001144554577 805004654 /nfs/dbraw/zinc/00/46/54/805004654.db2.gz AXNZDNNSEXIOTC-UHFFFAOYSA-N -1 1 279.261 3.325 20 0 CGADMM [O-]c1cc(F)c(CN2CCC(C(F)F)CC2)c(F)c1 ZINC001144559093 805004706 /nfs/dbraw/zinc/00/47/06/805004706.db2.gz IIIHRCJRMVYHNZ-UHFFFAOYSA-N -1 1 277.261 3.148 20 0 CGADMM Cc1cnc(S[C@@H](C)c2ccccc2F)[n-]c1=O ZINC001166227505 807041745 /nfs/dbraw/zinc/04/17/45/807041745.db2.gz JPDXBIHQBVNGHT-VIFPVBQESA-N -1 1 264.325 3.483 20 0 CGADMM COc1cc(Nc2ccc(F)c(F)c2[O-])ccc1N ZINC001249725395 805226923 /nfs/dbraw/zinc/22/69/23/805226923.db2.gz VHGFPJONQZUWOO-UHFFFAOYSA-N -1 1 266.247 3.005 20 0 CGADMM CCc1ncsc1NC(=O)c1ccc2cccnc2c1[O-] ZINC001149319213 805228884 /nfs/dbraw/zinc/22/88/84/805228884.db2.gz KKAGEOZZCYOGRT-UHFFFAOYSA-N -1 1 299.355 3.212 20 0 CGADMM Cc1ccc(C(N)=O)c(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250024091 805375422 /nfs/dbraw/zinc/37/54/22/805375422.db2.gz QBBULROXNBNGDR-UHFFFAOYSA-N -1 1 294.713 3.336 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])cn1)c1ccc(C)c(F)c1 ZINC001152922507 805375355 /nfs/dbraw/zinc/37/53/55/805375355.db2.gz ROFQFHVGMMHMTI-AWEZNQCLSA-N -1 1 288.322 3.116 20 0 CGADMM O=C(N[C@H]1CCCc2sccc21)c1cccc([O-])c1F ZINC001153651285 805409657 /nfs/dbraw/zinc/40/96/57/805409657.db2.gz OUPVRZDTFGLIEZ-NSHDSACASA-N -1 1 291.347 3.400 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1cc(SC)ccc1F ZINC001250119232 805426497 /nfs/dbraw/zinc/42/64/97/805426497.db2.gz UTVWJBOBVXWPKL-UHFFFAOYSA-N -1 1 296.323 3.456 20 0 CGADMM Nc1ccc(-c2cnn(-c3ccc(Cl)c([O-])c3)c2)cc1 ZINC001212593274 815079516 /nfs/dbraw/zinc/07/95/16/815079516.db2.gz JBENOBNMBPNNFR-UHFFFAOYSA-N -1 1 285.734 3.481 20 0 CGADMM O=C(OCCc1cc(F)c([O-])cc1F)c1ccccc1 ZINC001250214564 805496208 /nfs/dbraw/zinc/49/62/08/805496208.db2.gz ZMHJFAGOTLVHQJ-UHFFFAOYSA-N -1 1 278.254 3.070 20 0 CGADMM CS(=O)(=O)c1ccc(Cc2ccc(Cl)c([O-])c2)cc1 ZINC001250256252 805526283 /nfs/dbraw/zinc/52/62/83/805526283.db2.gz OCIMVWHFKUOLGW-UHFFFAOYSA-N -1 1 296.775 3.040 20 0 CGADMM CC1(C)CCC[C@H]1CCNC(=O)c1ccc([O-])cc1F ZINC001167623254 807218024 /nfs/dbraw/zinc/21/80/24/807218024.db2.gz RNILXUPRZSLTTH-NSHDSACASA-N -1 1 279.355 3.478 20 0 CGADMM Cc1c(Cl)cccc1-c1noc(-c2ccncc2[O-])n1 ZINC001212721234 815113669 /nfs/dbraw/zinc/11/36/69/815113669.db2.gz FGNVQVUUIOWJNO-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC=CC23CCCCC3)c1 ZINC001168436647 807413941 /nfs/dbraw/zinc/41/39/41/807413941.db2.gz GYWDKQRTXGNKFQ-UHFFFAOYSA-N -1 1 299.370 3.228 20 0 CGADMM Cc1ccccc1Cc1nnc(-c2ccc([O-])c(F)c2)o1 ZINC001258455207 807460147 /nfs/dbraw/zinc/46/01/47/807460147.db2.gz ISELMAKXBYDTSF-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC001259516558 807679817 /nfs/dbraw/zinc/67/98/17/807679817.db2.gz URTOKEKHUVRBDO-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC(C)CS(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC001259878956 807690169 /nfs/dbraw/zinc/69/01/69/807690169.db2.gz ZNBAMDGSXGPYGF-UHFFFAOYSA-N -1 1 290.388 3.146 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC001260742323 807704578 /nfs/dbraw/zinc/70/45/78/807704578.db2.gz AMCYQPGOYKKQQY-SECBINFHSA-N -1 1 298.795 3.428 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccsc2)c1C ZINC001260991001 807708249 /nfs/dbraw/zinc/70/82/49/807708249.db2.gz XKJKWKDDYOVOND-UHFFFAOYSA-N -1 1 267.375 3.166 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001261760343 807783182 /nfs/dbraw/zinc/78/31/82/807783182.db2.gz HPMLICAJRLVDFC-FKTZTGRPSA-N -1 1 285.265 3.151 20 0 CGADMM CO[C@@H]1CC=C(Nc2ccc(F)c(F)c2[O-])CC1 ZINC001212884386 815175025 /nfs/dbraw/zinc/17/50/25/815175025.db2.gz BZPUQUJOZSOGMS-SECBINFHSA-N -1 1 255.264 3.165 20 0 CGADMM Cc1cc(C)c(-n2[n-]c(=O)c3ccc(N)cc32)c(C)c1 ZINC001173844523 808707005 /nfs/dbraw/zinc/70/70/05/808707005.db2.gz BXQPRMGVSJTHSS-UHFFFAOYSA-N -1 1 267.332 3.239 20 0 CGADMM COc1ccc(Nc2ccc(F)c(F)c2[O-])cc1OC ZINC001173888086 808742889 /nfs/dbraw/zinc/74/28/89/808742889.db2.gz KMBGOKJOYQJYOL-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM CN(C)C(=O)c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001174085385 808854174 /nfs/dbraw/zinc/85/41/74/808854174.db2.gz QCDPILPFAFYEOX-UHFFFAOYSA-N -1 1 292.285 3.116 20 0 CGADMM [O-]c1cc(Nc2ccc3c(c2)NCC3)cc(F)c1F ZINC001213155559 815246938 /nfs/dbraw/zinc/24/69/38/815246938.db2.gz XVCKNNBNQJVBKP-UHFFFAOYSA-N -1 1 262.259 3.382 20 0 CGADMM Cc1c(Nc2ccc(Cl)c(Cl)c2[O-])cnn1C ZINC001174392282 808991292 /nfs/dbraw/zinc/99/12/92/808991292.db2.gz WSBRHUKXHNVSES-UHFFFAOYSA-N -1 1 272.135 3.485 20 0 CGADMM [O-]c1cc(Nc2cnn(CC3CC3)c2)cc(F)c1F ZINC001174470329 809026970 /nfs/dbraw/zinc/02/69/70/809026970.db2.gz WWEKWFFYPVMZGG-UHFFFAOYSA-N -1 1 265.263 3.021 20 0 CGADMM CNC(=O)c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001174513332 809056151 /nfs/dbraw/zinc/05/61/51/809056151.db2.gz PXYBSGOPUKBKSN-UHFFFAOYSA-N -1 1 294.713 3.288 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cnc(C2CC2)nc1 ZINC001174611987 809103282 /nfs/dbraw/zinc/10/32/82/809103282.db2.gz FCFOYMMYJXIHKR-UHFFFAOYSA-N -1 1 263.247 3.081 20 0 CGADMM CC(C)Oc1ccc(Nc2ccnc(Cl)c2[O-])cn1 ZINC001174759784 809156747 /nfs/dbraw/zinc/15/67/47/809156747.db2.gz PLIKRTDIPPVJOE-UHFFFAOYSA-N -1 1 279.727 3.366 20 0 CGADMM COC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)c(F)c1 ZINC001213382093 815274604 /nfs/dbraw/zinc/27/46/04/815274604.db2.gz ZWKDXGVNBQDUMB-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM C[S@@](=O)c1ccccc1Nc1ccc(F)c(F)c1[O-] ZINC001175319189 809353979 /nfs/dbraw/zinc/35/39/79/809353979.db2.gz SOPBTYTZNWMSHO-LJQANCHMSA-N -1 1 283.299 3.151 20 0 CGADMM CN(Cc1ccco1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001289989202 809399186 /nfs/dbraw/zinc/39/91/86/809399186.db2.gz CLFUUJHEWQBPHP-UHFFFAOYSA-N -1 1 297.310 3.116 20 0 CGADMM CCC[C@@H](NC(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001290534643 809408509 /nfs/dbraw/zinc/40/85/09/809408509.db2.gz XVWAOBUYYRUUTC-CQSZACIVSA-N -1 1 270.332 3.058 20 0 CGADMM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc([O-])cn1 ZINC001290533251 809408947 /nfs/dbraw/zinc/40/89/47/809408947.db2.gz HOSBHROKEPQXKL-UHFFFAOYSA-N -1 1 296.779 3.164 20 0 CGADMM CCC[C@@H](NC(=O)c1cccc([O-])c1F)c1ccccn1 ZINC001293065782 809442524 /nfs/dbraw/zinc/44/25/24/809442524.db2.gz JYYAFSBMEBJUDP-CYBMUJFWSA-N -1 1 288.322 3.198 20 0 CGADMM CCS[C@H]1CCCCN(C(=O)c2cccc([O-])c2F)C1 ZINC001293247312 809445111 /nfs/dbraw/zinc/44/51/11/809445111.db2.gz VNAOHRDUMZBOBO-NSHDSACASA-N -1 1 297.395 3.279 20 0 CGADMM CCCC1CCN(C(=O)c2cc(C)cc(C=O)c2[O-])CC1 ZINC001294227225 809465319 /nfs/dbraw/zinc/46/53/19/809465319.db2.gz RNSJENALGBPWEK-UHFFFAOYSA-N -1 1 289.375 3.165 20 0 CGADMM Cn1cc2c(cccc2Nc2cc(F)c([O-])cc2F)n1 ZINC001175591614 809466753 /nfs/dbraw/zinc/46/67/53/809466753.db2.gz DRXKUSIGXIALON-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)c1ccc([O-])cn1 ZINC001298514579 809532565 /nfs/dbraw/zinc/53/25/65/809532565.db2.gz YRQYPIZVYVZJMV-GDBMZVCRSA-N -1 1 296.370 3.101 20 0 CGADMM CC(C)[C@@H]1N(C(=O)Cc2ccc([O-])c(Cl)c2)CC1(C)C ZINC001298655214 809536303 /nfs/dbraw/zinc/53/63/03/809536303.db2.gz CTNDWHWTLJMROG-HNNXBMFYSA-N -1 1 295.810 3.481 20 0 CGADMM CC1(CNC(=O)c2ccc(F)c([O-])c2)CCCCC1 ZINC001298804885 809539608 /nfs/dbraw/zinc/53/96/08/809539608.db2.gz PPIAHFLZBJGRIS-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1C[C@H]1c1ccco1 ZINC001299587376 809552876 /nfs/dbraw/zinc/55/28/76/809552876.db2.gz XDXDTFVMOBOIKS-RKDXNWHRSA-N -1 1 279.242 3.006 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1C[C@H]1C1CCCC1 ZINC001300516788 809568921 /nfs/dbraw/zinc/56/89/21/809568921.db2.gz FERFASSKPRROOT-UONOGXRCSA-N -1 1 263.312 3.062 20 0 CGADMM O=C(N[C@@H]1C[C@H]1c1ccsc1)c1ccc(Cl)cc1[O-] ZINC001302436159 809594578 /nfs/dbraw/zinc/59/45/78/809594578.db2.gz DBIZSFHQKKLQLI-NWDGAFQWSA-N -1 1 293.775 3.393 20 0 CGADMM Cc1ccc(C(=O)NCc2ccc([O-])c(Cl)c2)cc1F ZINC001303296864 809608413 /nfs/dbraw/zinc/60/84/13/809608413.db2.gz OTHWXHDRJWGETL-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM CN(C)c1cncc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176663355 809736977 /nfs/dbraw/zinc/73/69/77/809736977.db2.gz GMQJOVXOAZKUEC-UHFFFAOYSA-N -1 1 283.253 3.014 20 0 CGADMM Cc1ccc(F)c(Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176663440 809737480 /nfs/dbraw/zinc/73/74/80/809737480.db2.gz KDAKZKLSEGCJKJ-UHFFFAOYSA-N -1 1 272.201 3.396 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccnn2C2CCC2)c1F ZINC001176663377 809737538 /nfs/dbraw/zinc/73/75/38/809737538.db2.gz HONNBCVJCRIQGY-UHFFFAOYSA-N -1 1 283.253 3.475 20 0 CGADMM CC(C)n1cnc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176669626 809738312 /nfs/dbraw/zinc/73/83/12/809738312.db2.gz JCTHJXWSAOTWIE-UHFFFAOYSA-N -1 1 271.242 3.331 20 0 CGADMM CC(C)c1nnc([N-]c2ccnn2Cc2ccccc2)o1 ZINC001176701129 809743460 /nfs/dbraw/zinc/74/34/60/809743460.db2.gz QBDKNAXTWTWTSN-UHFFFAOYSA-N -1 1 283.335 3.181 20 0 CGADMM CC(C)(C)c1nnc([N-]c2ccnn2Cc2ccccc2)o1 ZINC001176702185 809744276 /nfs/dbraw/zinc/74/42/76/809744276.db2.gz YPOUBRKHSQYCCR-UHFFFAOYSA-N -1 1 297.362 3.356 20 0 CGADMM COc1cc(Nc2ccc(CCC(=O)[O-])cc2)ncc1C ZINC001213627922 815313714 /nfs/dbraw/zinc/31/37/14/815313714.db2.gz SRLOAAGGIWSHLF-UHFFFAOYSA-N -1 1 286.331 3.159 20 0 CGADMM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc([O-])cn1 ZINC001178524403 809873378 /nfs/dbraw/zinc/87/33/78/809873378.db2.gz UIRBIEGMVVUPBA-CXAGYDPISA-N -1 1 296.370 3.196 20 0 CGADMM C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc([O-])c(F)c1F ZINC001182172506 810096669 /nfs/dbraw/zinc/09/66/69/810096669.db2.gz CQYGVDBIJAIBBU-FVMDXXJSSA-N -1 1 291.297 3.282 20 0 CGADMM Cc1c(C(=O)Nc2c[n-][nH]c2=O)sc2cccc(F)c12 ZINC001183561583 810153074 /nfs/dbraw/zinc/15/30/74/810153074.db2.gz DZRMONJONZPSEO-UHFFFAOYSA-N -1 1 291.307 3.030 20 0 CGADMM O=C(NCc1nccc2ccccc21)c1ccc([O-])c(F)c1 ZINC001186237215 810322834 /nfs/dbraw/zinc/32/28/34/810322834.db2.gz RQPAEQNXIWYKQI-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=C(NCCc1ccc(F)cc1)Nc1ccc(F)cc1[O-] ZINC001186273671 810325357 /nfs/dbraw/zinc/32/53/57/810325357.db2.gz GXLGYLLXLPLZCI-UHFFFAOYSA-N -1 1 292.285 3.035 20 0 CGADMM Cc1cc(N)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001214120954 815372399 /nfs/dbraw/zinc/37/23/99/815372399.db2.gz DKPDEYJETMEQQM-UHFFFAOYSA-N -1 1 250.248 3.305 20 0 CGADMM O=S(=O)(CC1CC1)[N-]c1cc2ccccc2s1 ZINC001188930196 810524315 /nfs/dbraw/zinc/52/43/15/810524315.db2.gz BWHFLGHCAFMPNW-UHFFFAOYSA-N -1 1 267.375 3.053 20 0 CGADMM Cc1ccc(Nc2cc3ccc([O-])cc3oc2=O)c(N)c1 ZINC001214182510 815378722 /nfs/dbraw/zinc/37/87/22/815378722.db2.gz WTKQUWZEPPBXSI-UHFFFAOYSA-N -1 1 282.299 3.133 20 0 CGADMM Cc1ccc(SCC(=O)c2ccc([O-])cc2O)s1 ZINC001189546327 810576240 /nfs/dbraw/zinc/57/62/40/810576240.db2.gz VUHVRAXRXDQGHJ-UHFFFAOYSA-N -1 1 280.370 3.443 20 0 CGADMM Cc1ccc(C(C)C)cc1[N-]S(=O)(=O)c1ccncc1 ZINC001190896755 810655471 /nfs/dbraw/zinc/65/54/71/810655471.db2.gz QPHCETUVOKNCMI-UHFFFAOYSA-N -1 1 290.388 3.314 20 0 CGADMM CCC(=O)c1ccccc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191535546 810723113 /nfs/dbraw/zinc/72/31/13/810723113.db2.gz LIOGYHOHERPQMU-UHFFFAOYSA-N -1 1 295.404 3.211 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)Nc2cc(F)c([O-])c(F)c2)CC1 ZINC001191823353 810747071 /nfs/dbraw/zinc/74/70/71/810747071.db2.gz MPKKWKTUJJJJJY-KYZUINATSA-N -1 1 284.306 3.371 20 0 CGADMM O=C(Nc1ccc2oncc2c1)c1c(F)ccc([O-])c1F ZINC001192541448 810806298 /nfs/dbraw/zinc/80/62/98/810806298.db2.gz WATCHQRPFFSBAK-UHFFFAOYSA-N -1 1 290.225 3.064 20 0 CGADMM Cc1ccc(F)cc1NC(=O)c1cc([O-])cc(F)c1F ZINC001192652121 810813684 /nfs/dbraw/zinc/81/36/84/810813684.db2.gz UVAROKUQBZTAOE-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM O=C(Nc1cnccc1C1CC1)c1cc([O-])cc(F)c1F ZINC001192651341 810813972 /nfs/dbraw/zinc/81/39/72/810813972.db2.gz GQNGCZAKMLZVNZ-UHFFFAOYSA-N -1 1 290.269 3.195 20 0 CGADMM CCCC[C@H](C)NC(=O)Nc1c([O-])cccc1F ZINC001193061991 810849913 /nfs/dbraw/zinc/84/99/13/810849913.db2.gz CKXXQHMYVOLMPM-VIFPVBQESA-N -1 1 254.305 3.232 20 0 CGADMM CCCC[C@H](C)NC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001193073405 810850623 /nfs/dbraw/zinc/85/06/23/810850623.db2.gz XMCLHWZYZYZWJM-QMMMGPOBSA-N -1 1 272.295 3.371 20 0 CGADMM CC(C)OC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001193496002 810897017 /nfs/dbraw/zinc/89/70/17/810897017.db2.gz HSJQGBYDLQPNMA-UHFFFAOYSA-N -1 1 263.215 3.368 20 0 CGADMM O=c1cc(Nc2cc(F)c([O-])c(Cl)c2)nc(C2CC2)[nH]1 ZINC001214480621 815415095 /nfs/dbraw/zinc/41/50/95/815415095.db2.gz VGDZFAIXMZGHKT-UHFFFAOYSA-N -1 1 295.701 3.301 20 0 CGADMM Cc1c2cc(N)ccc2nn1-c1cc(F)c([O-])c(Cl)c1 ZINC001214488296 815416455 /nfs/dbraw/zinc/41/64/55/815416455.db2.gz AVXGNTGBQFJMFB-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM CC(C)(C)COC(=O)Nc1cc(F)c([O-])cc1F ZINC001194385701 811065711 /nfs/dbraw/zinc/06/57/11/811065711.db2.gz UQLDMGWCYHCROP-UHFFFAOYSA-N -1 1 259.252 3.265 20 0 CGADMM COc1c(C)ccc(F)c1[N-]c1nc(C)ns1 ZINC001214527943 815419557 /nfs/dbraw/zinc/41/95/57/815419557.db2.gz VARPKFMAGHCZFR-UHFFFAOYSA-N -1 1 253.302 3.046 20 0 CGADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1ccc(Cl)s1 ZINC001195047370 811189702 /nfs/dbraw/zinc/18/97/02/811189702.db2.gz DOXXWVLTJJCCME-UHFFFAOYSA-N -1 1 297.905 3.481 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2cc(C)c(C)cc2C)n1 ZINC001195330078 811242508 /nfs/dbraw/zinc/24/25/08/811242508.db2.gz LMFCNRKZLHHLPQ-UHFFFAOYSA-N -1 1 270.332 3.273 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cccc(Cl)c1C ZINC001195449514 811257146 /nfs/dbraw/zinc/25/71/46/811257146.db2.gz YPLCCAZAKMDCFO-UHFFFAOYSA-N -1 1 272.757 3.091 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(C)ccc1Cl ZINC001195486877 811259869 /nfs/dbraw/zinc/25/98/69/811259869.db2.gz LGGQXNSRPDYANG-UHFFFAOYSA-N -1 1 272.757 3.091 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1c(F)c(C)ccc1OC ZINC001214622476 815434624 /nfs/dbraw/zinc/43/46/24/815434624.db2.gz PXZCLGLUKMNVFN-UHFFFAOYSA-N -1 1 294.282 3.051 20 0 CGADMM Cc1cc(CO)ccc1Nc1c([O-])cc(F)cc1F ZINC001214665098 815440686 /nfs/dbraw/zinc/44/06/86/815440686.db2.gz VJMWDNYWWFRYMS-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM COc1ccc(F)c(Nc2ccnc(Cl)c2[O-])c1OC ZINC001214694526 815443924 /nfs/dbraw/zinc/44/39/24/815443924.db2.gz ZKPJTNJHYDDWDN-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM CC(=O)c1ccc(F)c(Nc2ncc(F)cc2[O-])c1F ZINC001214757916 815448182 /nfs/dbraw/zinc/44/81/82/815448182.db2.gz BELPBLCDPMLYFI-UHFFFAOYSA-N -1 1 282.221 3.151 20 0 CGADMM CC(=O)c1cc(Nc2ncc(Cl)cc2[O-])cs1 ZINC001214773588 815449346 /nfs/dbraw/zinc/44/93/46/815449346.db2.gz IKEFTJSTNGXMGZ-UHFFFAOYSA-N -1 1 268.725 3.448 20 0 CGADMM O=C(Nc1ccccc1)Nc1cc(Cl)ncc1[O-] ZINC001201946257 811979467 /nfs/dbraw/zinc/97/94/67/811979467.db2.gz BDZFQEMVASYSOD-UHFFFAOYSA-N -1 1 263.684 3.085 20 0 CGADMM O=C(Nc1cc(F)c([O-])c(F)c1)Nc1ccccc1F ZINC001202003013 811994498 /nfs/dbraw/zinc/99/44/98/811994498.db2.gz YBCASCLMFWVKEP-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM O=C(Nc1c([O-])cccc1F)Nc1c(F)cccc1F ZINC001202041271 812003068 /nfs/dbraw/zinc/00/30/68/812003068.db2.gz BJHOGIFLGHMNRV-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM CCOc1ccc(-c2nc(-c3ccc(C)cn3)no2)c([O-])c1 ZINC001215241052 815498053 /nfs/dbraw/zinc/49/80/53/815498053.db2.gz DILUCYMODTUYOM-UHFFFAOYSA-N -1 1 297.314 3.211 20 0 CGADMM C[C@H](NC(=O)Nc1cccc(F)c1[O-])c1ccccc1 ZINC001202507319 812111724 /nfs/dbraw/zinc/11/17/24/812111724.db2.gz OZGLLJUEWZKNKI-JTQLQIEISA-N -1 1 274.295 3.414 20 0 CGADMM CCc1cccc(-c2noc(-c3ccc(O)cc3[O-])n2)c1 ZINC001215299904 815504591 /nfs/dbraw/zinc/50/45/91/815504591.db2.gz HCGCQITXIRAJAN-UHFFFAOYSA-N -1 1 282.299 3.377 20 0 CGADMM Cc1cc(O)cc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001215507528 815526344 /nfs/dbraw/zinc/52/63/44/815526344.db2.gz ULRBNTABOYSDPM-UHFFFAOYSA-N -1 1 257.249 3.087 20 0 CGADMM Cc1cnc(C)c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001203668783 812424237 /nfs/dbraw/zinc/42/42/37/812424237.db2.gz IVRAACMLQDMPHW-UHFFFAOYSA-N -1 1 280.331 3.333 20 0 CGADMM CCC[C@H](C)c1cc([N-]c2cnn3cccnc23)on1 ZINC001205946613 813143099 /nfs/dbraw/zinc/14/30/99/813143099.db2.gz ZKETWEKOKPENHG-JTQLQIEISA-N -1 1 271.324 3.365 20 0 CGADMM [O-]c1ccc(-c2ncc(C(F)(F)F)cn2)c(F)c1 ZINC001206021586 813169011 /nfs/dbraw/zinc/16/90/11/813169011.db2.gz PNBJAIHDMPWJBI-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM Cn1ccc(Nc2ccc(Cl)c(Cl)c2[O-])cc1=O ZINC001206121567 813206373 /nfs/dbraw/zinc/20/63/73/813206373.db2.gz BVMFEJWWXLLDCU-UHFFFAOYSA-N -1 1 285.130 3.141 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cc(O)cc(F)c1 ZINC001206774564 813433426 /nfs/dbraw/zinc/43/34/26/813433426.db2.gz MYAPXVWISJXOAQ-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cc(O)cc(F)c1 ZINC001208125584 813699294 /nfs/dbraw/zinc/69/92/94/813699294.db2.gz MSVDHNOLCAMZIY-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM [O-]c1c(Nc2ccc3c(c2)NCCO3)ccc(F)c1F ZINC001209798075 814144658 /nfs/dbraw/zinc/14/46/58/814144658.db2.gz INDQNGDHXSBSBJ-UHFFFAOYSA-N -1 1 278.258 3.218 20 0 CGADMM Cc1cc(C)c(-n2[n-]c(=O)c3ccc(N)cc32)cc1C ZINC001209832205 814155159 /nfs/dbraw/zinc/15/51/59/814155159.db2.gz DRBRYLQUIUYGCX-UHFFFAOYSA-N -1 1 267.332 3.239 20 0 CGADMM Cc1c2ccc(N)cc2nn1-c1cccc(Cl)c1[O-] ZINC001210223165 814350594 /nfs/dbraw/zinc/35/05/94/814350594.db2.gz MFQLQOFFBDWFSB-UHFFFAOYSA-N -1 1 273.723 3.275 20 0 CGADMM C[C@@H](O)c1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001210643951 814568618 /nfs/dbraw/zinc/56/86/18/814568618.db2.gz IJPCQIFKTRTYLY-SNVBAGLBSA-N -1 1 297.310 3.296 20 0 CGADMM CC(=O)c1ncccc1Nc1cccc([O-])c1Cl ZINC001210853992 814652225 /nfs/dbraw/zinc/65/22/25/814652225.db2.gz UGIKMWDDSZNTLX-UHFFFAOYSA-N -1 1 262.696 3.387 20 0 CGADMM COc1ncc(Nc2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001210924035 814676181 /nfs/dbraw/zinc/67/61/81/814676181.db2.gz DCINCBDCBLHZBW-UHFFFAOYSA-N -1 1 286.118 3.241 20 0 CGADMM [O-]c1c(Cl)cc(Nc2cccnc2CO)cc1Cl ZINC001210926327 814677596 /nfs/dbraw/zinc/67/75/96/814677596.db2.gz IVVACLNLUHZBFU-UHFFFAOYSA-N -1 1 285.130 3.330 20 0 CGADMM [S-]c1cccc(Nc2ccnn2-c2ccncc2)c1 ZINC001210946389 814685906 /nfs/dbraw/zinc/68/59/06/814685906.db2.gz KTJFBAAKDMZNIZ-UHFFFAOYSA-N -1 1 268.345 3.300 20 0 CGADMM [O-]c1cccc(-c2ncnc3cnc(F)cc32)c1Cl ZINC001242797276 823135200 /nfs/dbraw/zinc/13/52/00/823135200.db2.gz GMZCHVHIUMOWKR-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM CN(C)c1cccc(-c2noc(-c3cc(F)ccc3[O-])n2)c1 ZINC001215769329 815584608 /nfs/dbraw/zinc/58/46/08/815584608.db2.gz CIBHWVMNFRDVCS-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM Cc1nc2c(-c3cccc([O-])c3Cl)cccn2n1 ZINC001242799491 823136451 /nfs/dbraw/zinc/13/64/51/823136451.db2.gz NXTSKAONBQMFCN-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM CN1CCc2c(cccc2-c2cccc([O-])c2Cl)C1=O ZINC001242802023 823138140 /nfs/dbraw/zinc/13/81/40/823138140.db2.gz MVQXKLWCRAJXJQ-UHFFFAOYSA-N -1 1 287.746 3.341 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)NCCO3)cc1F ZINC001211338271 814881574 /nfs/dbraw/zinc/88/15/74/814881574.db2.gz BVMZFRZEURNQGQ-UHFFFAOYSA-N -1 1 263.243 3.142 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(N3CCCC3)nc2)cc1F ZINC001211340737 814882419 /nfs/dbraw/zinc/88/24/19/814882419.db2.gz YKTQNEPYOAZFEU-UHFFFAOYSA-N -1 1 276.286 3.333 20 0 CGADMM [O-]c1cc(F)c(-c2ccnc(OC(F)F)c2)cc1F ZINC001211352967 814884750 /nfs/dbraw/zinc/88/47/50/814884750.db2.gz PGBJVOFYPVJUQO-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)COCC3)cc1F ZINC001211359141 814885668 /nfs/dbraw/zinc/88/56/68/814885668.db2.gz BTJYIOTWISBHRN-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM O=C1CCN1c1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211360667 814886561 /nfs/dbraw/zinc/88/65/61/814886561.db2.gz VBALMYBIQRJCNM-UHFFFAOYSA-N -1 1 275.254 3.074 20 0 CGADMM Cc1cnc(F)c(Nc2ccnc(Cl)c2[O-])c1 ZINC001211500075 814897660 /nfs/dbraw/zinc/89/76/60/814897660.db2.gz MQDHLRRFMMCJSB-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM COCc1cc(OC)ccc1Nc1ccnc(Cl)c1[O-] ZINC001215978821 815648751 /nfs/dbraw/zinc/64/87/51/815648751.db2.gz PMGANMCVMVVDQF-UHFFFAOYSA-N -1 1 294.738 3.339 20 0 CGADMM CN(C)c1cccc(-c2noc(-c3cccc([O-])c3F)n2)c1 ZINC001215988667 815653291 /nfs/dbraw/zinc/65/32/91/815653291.db2.gz DJBNMHCRBCKAAD-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM Cc1nnc([N-]c2ccc(C(=O)OC(C)(C)C)c(C)c2)o1 ZINC001216381160 815804216 /nfs/dbraw/zinc/80/42/16/815804216.db2.gz KVGHVCWIOQELLL-UHFFFAOYSA-N -1 1 289.335 3.385 20 0 CGADMM [O-]c1cc(O[C@H]2CCNCC2(F)F)c(Cl)cc1Cl ZINC001218008956 816050874 /nfs/dbraw/zinc/05/08/74/816050874.db2.gz COFLQYPXYHSPBC-JTQLQIEISA-N -1 1 298.116 3.075 20 0 CGADMM CC1(C)NC(=O)c2cc(-c3cc(F)c([O-])cc3F)ccc21 ZINC001222083183 816343258 /nfs/dbraw/zinc/34/32/58/816343258.db2.gz SCEMZYUSQYAWQG-UHFFFAOYSA-N -1 1 289.281 3.316 20 0 CGADMM CCCCC[C@@H](CCCC)OCC[P@](=O)([O-])O ZINC001224602906 816831176 /nfs/dbraw/zinc/83/11/76/816831176.db2.gz UECWGFZXKLEBRX-GFCCVEGCSA-N -1 1 266.318 3.320 20 0 CGADMM Cc1cnc(-c2ccc(F)c([O-])c2)nc1NCC1CC1 ZINC001243051485 823228380 /nfs/dbraw/zinc/22/83/80/823228380.db2.gz UHRSIZAFEXZGBJ-UHFFFAOYSA-N -1 1 273.311 3.119 20 0 CGADMM CC(=O)c1c[n-]c(=O)nc1OC1CCC(C(C)(C)C)CC1 ZINC001226239244 817306683 /nfs/dbraw/zinc/30/66/83/817306683.db2.gz JTPJPCTVSWNVCK-UHFFFAOYSA-N -1 1 292.379 3.369 20 0 CGADMM CC[C@H](Oc1nc(=O)[n-]cc1C(C)=O)C1CCCCC1 ZINC001226240980 817308483 /nfs/dbraw/zinc/30/84/83/817308483.db2.gz QMIAYVCYXLNCOM-ZDUSSCGKSA-N -1 1 278.352 3.123 20 0 CGADMM CCC[C@@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226484853 817373339 /nfs/dbraw/zinc/37/33/39/817373339.db2.gz INGKWPGFBZDFHX-SNVBAGLBSA-N -1 1 262.305 3.374 20 0 CGADMM Fc1cc2c(c(F)c1)CC[C@@H]2Oc1[n-]c(=S)ncc1F ZINC001227386894 817636536 /nfs/dbraw/zinc/63/65/36/817636536.db2.gz PVDRSGWAUHIZEA-NSHDSACASA-N -1 1 298.289 3.249 20 0 CGADMM [O-]c1cc(Cl)c(O[C@H]2CCOC[C@@H]2F)cc1Cl ZINC001227644898 817687775 /nfs/dbraw/zinc/68/77/75/817687775.db2.gz DFZDBCQRLCRJON-WPRPVWTQSA-N -1 1 281.110 3.205 20 0 CGADMM CSc1nc(O[C@@H](C)c2ccccc2)cc(=O)[n-]1 ZINC001228089587 817808868 /nfs/dbraw/zinc/80/88/68/817808868.db2.gz FXOJUMJFDLAPNL-VIFPVBQESA-N -1 1 262.334 3.044 20 0 CGADMM CC(C)Oc1cc([O-])ccc1C(=O)c1ccccc1 ZINC001228184119 817834870 /nfs/dbraw/zinc/83/48/70/817834870.db2.gz QJUKOGVCHAYSEW-UHFFFAOYSA-N -1 1 256.301 3.410 20 0 CGADMM C[C@H](Oc1[n-]c(=S)nc2ccccc21)C1CCC1 ZINC001228764512 818001790 /nfs/dbraw/zinc/00/17/90/818001790.db2.gz ITWUGQDOLIPEDN-VIFPVBQESA-N -1 1 260.362 3.486 20 0 CGADMM CCCCOC1CN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231733735 818160794 /nfs/dbraw/zinc/16/07/94/818160794.db2.gz FLGAXAKRTPJLKW-UHFFFAOYSA-N -1 1 269.772 3.047 20 0 CGADMM [O-]c1cc(CN2CC3(C2)C[C@@H](F)CS3)ccc1Cl ZINC001231736210 818163726 /nfs/dbraw/zinc/16/37/26/818163726.db2.gz FIGWACCCAUJOEQ-SNVBAGLBSA-N -1 1 287.787 3.075 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@H]2c2nccs2)c1F ZINC001232936615 818477524 /nfs/dbraw/zinc/47/75/24/818477524.db2.gz DRWDQQRFLZEDMQ-NSHDSACASA-N -1 1 296.342 3.464 20 0 CGADMM CN(C)Cc1ccc(-c2cc(Cl)cc(C(=O)[O-])c2)nc1 ZINC001243324273 823347985 /nfs/dbraw/zinc/34/79/85/823347985.db2.gz OUXSNOASHZFXNO-UHFFFAOYSA-N -1 1 290.750 3.162 20 0 CGADMM CSc1cnccc1-c1ccc([O-])c(F)c1F ZINC001243343842 823358798 /nfs/dbraw/zinc/35/87/98/823358798.db2.gz QALTZMJULRCETJ-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM CCC[C@@H](CC)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234040294 818764840 /nfs/dbraw/zinc/76/48/40/818764840.db2.gz XVLPEOOOKDZDTH-SNVBAGLBSA-N -1 1 276.336 3.307 20 0 CGADMM CCC[C@@H](CC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234040294 818764846 /nfs/dbraw/zinc/76/48/46/818764846.db2.gz XVLPEOOOKDZDTH-SNVBAGLBSA-N -1 1 276.336 3.307 20 0 CGADMM CC(C)(C)c1nc2nc[nH]c2c(-c2ccc(C(=O)[O-])cc2)n1 ZINC001236055952 819291485 /nfs/dbraw/zinc/29/14/85/819291485.db2.gz SMOUKKMBKZXKHM-UHFFFAOYSA-N -1 1 296.330 3.016 20 0 CGADMM Cc1ccc(F)c(-c2cc(N3CCCC3)nc(C)n2)c1[O-] ZINC001236391211 819447797 /nfs/dbraw/zinc/44/77/97/819447797.db2.gz MARZFHPLFDQVKB-UHFFFAOYSA-N -1 1 287.338 3.205 20 0 CGADMM Cc1ccc(F)c(-c2cc(O[C@@H]3CCOC3)ccn2)c1[O-] ZINC001236415769 819460959 /nfs/dbraw/zinc/46/09/59/819460959.db2.gz SSSRJAPMWHHOQF-GFCCVEGCSA-N -1 1 289.306 3.069 20 0 CGADMM CCOC(=O)Cc1cccc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243503015 823421601 /nfs/dbraw/zinc/42/16/01/823421601.db2.gz DZZAXVROSMFEOH-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM C[C@H]1C(=O)Nc2ccc(-c3cc(F)cc(F)c3[O-])cc21 ZINC001243504520 823422825 /nfs/dbraw/zinc/42/28/25/823422825.db2.gz QKFKXONWRCWVIH-SSDOTTSWSA-N -1 1 275.254 3.393 20 0 CGADMM Cc1nc2cc(-c3cc(F)cc(F)c3[O-])cnc2o1 ZINC001243507314 823424766 /nfs/dbraw/zinc/42/47/66/823424766.db2.gz XDDVQGZUYUDMNM-UHFFFAOYSA-N -1 1 262.215 3.182 20 0 CGADMM COC(=O)c1cccc(F)c1-c1cc(F)cc(F)c1[O-] ZINC001243505570 823423037 /nfs/dbraw/zinc/42/30/37/823423037.db2.gz UJKGSFNXNWAXTD-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM O=C1CCc2cccc(-c3cc(F)cc(F)c3[O-])c2N1 ZINC001243505438 823423392 /nfs/dbraw/zinc/42/33/92/823423392.db2.gz RWXILBHLZVKHJK-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM [O-]c1c(F)cc(CN2CC[C@]3(CC3(F)F)C2)cc1Cl ZINC001237997599 819908277 /nfs/dbraw/zinc/90/82/77/819908277.db2.gz MUBJJLGVCDRHRS-LBPRGKRZSA-N -1 1 291.700 3.416 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@]3(C2)CCCOC3)cc1Cl ZINC001238149121 819943062 /nfs/dbraw/zinc/94/30/62/819943062.db2.gz FZZMXNCWAJPMSZ-HNNXBMFYSA-N -1 1 299.773 3.187 20 0 CGADMM COC(=O)c1cc(C)cnc1-c1ccc(Cl)c([O-])c1 ZINC001243576434 823451152 /nfs/dbraw/zinc/45/11/52/823451152.db2.gz GVZPAIFMQABREC-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Cc1cnc(-c2ccc(Cl)c([O-])c2)nc1NC1CC1 ZINC001243576424 823451482 /nfs/dbraw/zinc/45/14/82/823451482.db2.gz GLRRLIFLADGIFR-UHFFFAOYSA-N -1 1 275.739 3.385 20 0 CGADMM COC(=O)c1cnc(-c2ccc(Cl)c([O-])c2)c(F)c1 ZINC001243577293 823452182 /nfs/dbraw/zinc/45/21/82/823452182.db2.gz WQHBFHKXDGPXBX-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM CCOc1cc(-c2ccc(Cl)c([O-])c2)nc(C)n1 ZINC001243579452 823452925 /nfs/dbraw/zinc/45/29/25/823452925.db2.gz VHPFQCXECNNEJY-UHFFFAOYSA-N -1 1 264.712 3.210 20 0 CGADMM O=c1cnc(-c2ccc(Cl)c([O-])c2)cn1-c1ccccc1 ZINC001243584658 823456267 /nfs/dbraw/zinc/45/62/67/823456267.db2.gz VOLOEUVEQWLDOW-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM NC(=S)c1cccnc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243608719 823466351 /nfs/dbraw/zinc/46/63/51/823466351.db2.gz VHQHFGFJIFPPMP-UHFFFAOYSA-N -1 1 298.289 3.107 20 0 CGADMM Cc1cccc2c1ncnc2-c1cc(F)ccc1[O-] ZINC001240693186 821248900 /nfs/dbraw/zinc/24/89/00/821248900.db2.gz FYHSMXXGHVPZDG-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM CC(C)(C)NC(=O)c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240693103 821249006 /nfs/dbraw/zinc/24/90/06/821249006.db2.gz BQPCSHMQXWQVEH-UHFFFAOYSA-N -1 1 288.322 3.122 20 0 CGADMM CSc1nc2ncnc(-c3cc(F)ccc3[O-])c2s1 ZINC001240693490 821249203 /nfs/dbraw/zinc/24/92/03/821249203.db2.gz DKISPZJDQQVRKK-UHFFFAOYSA-N -1 1 293.348 3.320 20 0 CGADMM COc1ccc2nc(-c3cc(F)ccc3[O-])cnc2c1 ZINC001240693268 821249584 /nfs/dbraw/zinc/24/95/84/821249584.db2.gz KEAIGIXJQMXCPN-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM [O-]c1ccc(F)cc1-c1nncc2cc(F)ccc21 ZINC001240693551 821249632 /nfs/dbraw/zinc/24/96/32/821249632.db2.gz UXNPUVUXPMHXEM-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1ccc(F)cc1-c1cc(-c2cccnc2)ncn1 ZINC001240695772 821252950 /nfs/dbraw/zinc/25/29/50/821252950.db2.gz RDGGTDJKKKLZAZ-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM COc1cc(C(=O)[O-])ccc1-c1cccc2nc(C)[nH]c21 ZINC001240737613 821289804 /nfs/dbraw/zinc/28/98/04/821289804.db2.gz JCQDFJYHUOAZOR-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM Cc1ccc(-c2ncc(C)c(N3CCCC3)n2)c([O-])c1 ZINC001241027923 821503155 /nfs/dbraw/zinc/50/31/55/821503155.db2.gz FTZIVCZHNOKMTK-UHFFFAOYSA-N -1 1 269.348 3.066 20 0 CGADMM COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)cc1OC ZINC001241119444 821574195 /nfs/dbraw/zinc/57/41/95/821574195.db2.gz OGAFMJADZZDCFT-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM COc1cc(F)ccc1-c1c(F)cc([O-])cc1F ZINC001241119378 821574623 /nfs/dbraw/zinc/57/46/23/821574623.db2.gz KORZEBXIMZZEOK-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM Cc1cc(-c2c(F)cc([O-])cc2F)nc(-c2cccnc2)n1 ZINC001241120466 821575301 /nfs/dbraw/zinc/57/53/01/821575301.db2.gz WCIPBYASVCLUDB-UHFFFAOYSA-N -1 1 299.280 3.498 20 0 CGADMM COc1cccc(-c2c(F)cc([O-])cc2F)c1OC ZINC001241120277 821575558 /nfs/dbraw/zinc/57/55/58/821575558.db2.gz XSKUCZUZPBFYAF-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM COC(=O)c1ccc(OC)cc1-c1c(F)cc([O-])cc1F ZINC001241120843 821577092 /nfs/dbraw/zinc/57/70/92/821577092.db2.gz OIMIPDIUKQEUMK-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM Cc1cc(-c2c(F)cc([O-])cc2F)cn2ccnc12 ZINC001241120814 821577562 /nfs/dbraw/zinc/57/75/62/821577562.db2.gz MMLMOLJHBNZJRW-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM Cc1nc2[nH]ccc2cc1-c1c(F)cc([O-])cc1F ZINC001241123205 821580009 /nfs/dbraw/zinc/58/00/09/821580009.db2.gz VEPGYVIVNYVIFY-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM CCOC(=O)Cc1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241122711 821580080 /nfs/dbraw/zinc/58/00/80/821580080.db2.gz WIONMVQHOIJILL-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3ccc(F)cc32)c1F ZINC001241290535 821706987 /nfs/dbraw/zinc/70/69/87/821706987.db2.gz OOPZAERKVIEMIK-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM [O-]c1ccc(F)c(-c2cc(-c3ccncc3)ncn2)c1F ZINC001241291056 821707826 /nfs/dbraw/zinc/70/78/26/821707826.db2.gz YUJLYFMSDNVBOB-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3c(F)cccc32)c1F ZINC001241291166 821708249 /nfs/dbraw/zinc/70/82/49/821708249.db2.gz HERJZEQFSSDWEJ-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM Cc1nc2cccc(-c3cccc(C(=O)[O-])c3)c2[nH]1 ZINC001241358673 821760076 /nfs/dbraw/zinc/76/00/76/821760076.db2.gz BICVABCEGNBYJG-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CC(C)c1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001241738200 822116518 /nfs/dbraw/zinc/11/65/18/822116518.db2.gz NBVOUKUYNRUBBT-UHFFFAOYSA-N -1 1 265.320 3.052 20 0 CGADMM CC(C)c1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001241738200 822116520 /nfs/dbraw/zinc/11/65/20/822116520.db2.gz NBVOUKUYNRUBBT-UHFFFAOYSA-N -1 1 265.320 3.052 20 0 CGADMM Nc1cnc(-c2cc(C(F)(F)F)ccc2[O-])c(F)c1 ZINC001242131534 822888643 /nfs/dbraw/zinc/88/86/43/822888643.db2.gz GTLDIIAKTYJJJN-UHFFFAOYSA-N -1 1 272.201 3.194 20 0 CGADMM CCOc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC001242151638 822896188 /nfs/dbraw/zinc/89/61/88/822896188.db2.gz SNFQHBDQOPNJJX-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM [O-]c1ccc(-c2c[nH]cc3ncnc2-3)cc1C(F)(F)F ZINC001242158377 822898933 /nfs/dbraw/zinc/89/89/33/822898933.db2.gz VRRMFASDZDHALB-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM COC(=O)c1cc(-c2ccc(F)cc2[O-])c(F)cc1OC ZINC001242218762 822915462 /nfs/dbraw/zinc/91/54/62/822915462.db2.gz OSRSTDNLQYDTKJ-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM CN1CCc2c(F)cc(-c3cccc(CC(=O)[O-])c3)cc2C1 ZINC001242266139 822931136 /nfs/dbraw/zinc/93/11/36/822931136.db2.gz XGCYHXMMEOJHHC-UHFFFAOYSA-N -1 1 299.345 3.108 20 0 CGADMM O=C1COc2ccc(-c3cccc(Cl)c3[O-])cc2N1 ZINC001242364789 822968079 /nfs/dbraw/zinc/96/80/79/822968079.db2.gz OYGZCSDGKFGMIN-UHFFFAOYSA-N -1 1 275.691 3.044 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)C1CCCC1 ZINC001343487867 936503097 /nfs/dbraw/zinc/50/30/97/936503097.db2.gz CMWNLZJVLYJRNE-UHFFFAOYSA-N -1 1 284.153 3.283 20 0 CGADMM O=C(/C=C\c1nccs1)Nc1ccc([O-])c(Cl)c1 ZINC001351549399 937019555 /nfs/dbraw/zinc/01/95/55/937019555.db2.gz IHAPWKHEMXLCRR-ARJAWSKDSA-N -1 1 280.736 3.154 20 0 CGADMM C[C@H]1CCc2[n-]n(C3CCC(F)(F)CC3)c(=O)c2C1 ZINC001352108381 937037119 /nfs/dbraw/zinc/03/71/19/937037119.db2.gz AIJZQIVPPXONJX-ONGXEEELSA-N -1 1 270.323 3.199 20 0 CGADMM O=C([N-]c1c(F)cccc1F)c1scc2c1OCCO2 ZINC001352839167 937050865 /nfs/dbraw/zinc/05/08/65/937050865.db2.gz ZLXPJBHFDOECFB-UHFFFAOYSA-N -1 1 297.282 3.050 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CCC[C@@H](F)C1 ZINC001349000315 926766944 /nfs/dbraw/zinc/76/69/44/926766944.db2.gz ZHZOVBVWJQQOCP-WDEREUQCSA-N -1 1 285.746 3.190 20 0 CGADMM CC[C@@H](C)[C@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135894 927323795 /nfs/dbraw/zinc/32/37/95/927323795.db2.gz RYUNHDCLECIOKM-ZJUUUORDSA-N -1 1 262.305 3.312 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H]2CCCc3cccnc32)n1 ZINC001363185980 937231266 /nfs/dbraw/zinc/23/12/66/937231266.db2.gz OVWBULIRRZNGIH-LBPRGKRZSA-N -1 1 287.388 3.309 20 0 CGADMM Cc1nocc1[N-]C(=O)c1cc2c(ccnc2Cl)o1 ZINC001437255410 937292792 /nfs/dbraw/zinc/29/27/92/937292792.db2.gz YUPHUOJJVVPKGE-UHFFFAOYSA-N -1 1 277.667 3.030 20 0 CGADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1cccc(F)c1F ZINC001545918942 937310367 /nfs/dbraw/zinc/31/03/67/937310367.db2.gz HSDWOUNWZPUUEG-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM O=C(NC1(c2ccccc2)CCC1)c1ccc([O-])cc1F ZINC001441134102 937337315 /nfs/dbraw/zinc/33/73/15/937337315.db2.gz CAKYSAMZHZNWBO-UHFFFAOYSA-N -1 1 285.318 3.341 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cccnc2N(C)C)c([O-])c1 ZINC001442619851 937343346 /nfs/dbraw/zinc/34/33/46/937343346.db2.gz YFJKUPCHRMQPEP-UHFFFAOYSA-N -1 1 299.374 3.229 20 0 CGADMM Cc1cnc(C(=O)NCC[C@@H]2CCCC[C@@H]2C)c([O-])c1 ZINC001444057802 937350209 /nfs/dbraw/zinc/35/02/09/937350209.db2.gz MDSIHVDJEKAKME-STQMWFEESA-N -1 1 276.380 3.042 20 0 CGADMM C[C@H]1C[C@H](NC(=O)c2ccc(F)c([O-])c2)C[C@@H](C)C1 ZINC001444364054 937351777 /nfs/dbraw/zinc/35/17/77/937351777.db2.gz QXNJOMZMKUWWKP-IAZYJMLFSA-N -1 1 265.328 3.086 20 0 CGADMM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1ccc(F)c([O-])c1 ZINC001450586536 937386368 /nfs/dbraw/zinc/38/63/68/937386368.db2.gz KMOORIOTGKATIG-NEPJUHHUSA-N -1 1 295.354 3.361 20 0 CGADMM Cc1ccccc1CCN(C)C(=O)c1cccc([O-])c1F ZINC001450227137 937383843 /nfs/dbraw/zinc/38/38/43/937383843.db2.gz ORPATJKHNLWPTL-UHFFFAOYSA-N -1 1 287.334 3.154 20 0 CGADMM CC1(C2(NC(=O)c3ncc4ccccc4c3[O-])CC2)CC1 ZINC001449452936 937379738 /nfs/dbraw/zinc/37/97/38/937379738.db2.gz MJDPTLGASYOCHC-UHFFFAOYSA-N -1 1 282.343 3.003 20 0 CGADMM O=C(CCc1ccsc1)Nc1cc([O-])c(F)cc1F ZINC001450905967 937387668 /nfs/dbraw/zinc/38/76/68/937387668.db2.gz YDZFGEFXEGTXSM-UHFFFAOYSA-N -1 1 283.299 3.303 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cn1 ZINC001450896831 937387789 /nfs/dbraw/zinc/38/77/89/937387789.db2.gz LKEMWXWKXJKVKS-UHFFFAOYSA-N -1 1 292.285 3.441 20 0 CGADMM CCc1cccc(N(C)C(=O)c2ccccc2[O-])c1 ZINC001451004699 937388243 /nfs/dbraw/zinc/38/82/43/937388243.db2.gz HPXNUHGWJCEARO-UHFFFAOYSA-N -1 1 255.317 3.231 20 0 CGADMM CSc1cc(F)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC001452154483 937393855 /nfs/dbraw/zinc/39/38/55/937393855.db2.gz ZCCJWFPCTIZWIG-UHFFFAOYSA-N -1 1 293.319 3.211 20 0 CGADMM Cc1ccncc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001456603901 937433250 /nfs/dbraw/zinc/43/32/50/937433250.db2.gz FTRAOJWVQTZPIO-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@H](COC)C(C)C)n1 ZINC001458790894 937474066 /nfs/dbraw/zinc/47/40/66/937474066.db2.gz BJKNCQPRGZXYBF-NSHDSACASA-N -1 1 284.425 3.145 20 0 CGADMM COc1cc2ccc(=O)oc2c(OC2CCCCC2)c1[O-] ZINC001229218170 932116478 /nfs/dbraw/zinc/11/64/78/932116478.db2.gz KHGVDMIKBRUENH-UHFFFAOYSA-N -1 1 290.315 3.219 20 0 CGADMM CCCC[C@H](C)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229216399 932116914 /nfs/dbraw/zinc/11/69/14/932116914.db2.gz QFWGLIQKWPHIKY-JTQLQIEISA-N -1 1 292.331 3.465 20 0 CGADMM CCC[C@@H](C)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229218901 932117849 /nfs/dbraw/zinc/11/78/49/932117849.db2.gz QFONBEILLFKQAA-SECBINFHSA-N -1 1 278.304 3.075 20 0 CGADMM Cc1cc(C)c2c(n1)nc(=S)[n-]c2O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001229301837 932129364 /nfs/dbraw/zinc/12/93/64/932129364.db2.gz FCHSWLYKJSOQBG-JGPRNRPPSA-N -1 1 287.388 3.108 20 0 CGADMM CC1(C)COC(=O)[C@@H]1Oc1cc([O-])c(Cl)cc1Cl ZINC001229409067 932146232 /nfs/dbraw/zinc/14/62/32/932146232.db2.gz AMDVTEHOIVMRMR-JTQLQIEISA-N -1 1 291.130 3.029 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ocnc1-c1ccccc1 ZINC001306799066 932761117 /nfs/dbraw/zinc/76/11/17/932761117.db2.gz GKNYWXPQXFFRMG-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM O=C(/C=C/c1cccnc1)Nc1cc(F)c([O-])cc1Cl ZINC001304284526 932848825 /nfs/dbraw/zinc/84/88/25/932848825.db2.gz OSJKRKZRDMRMKV-ONEGZZNKSA-N -1 1 292.697 3.232 20 0 CGADMM C[C@H](CCC(C)(C)C)NC(=O)c1cccc([O-])c1F ZINC001465258590 937699413 /nfs/dbraw/zinc/69/94/13/937699413.db2.gz ZRSMMZYPRQODPV-SNVBAGLBSA-N -1 1 267.344 3.476 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@H]1C ZINC001465401937 937700562 /nfs/dbraw/zinc/70/05/62/937700562.db2.gz VWVSKAXUGFQCBC-RKDXNWHRSA-N -1 1 287.281 3.139 20 0 CGADMM C[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001465409195 937700664 /nfs/dbraw/zinc/70/06/64/937700664.db2.gz OQVDWVWQJKXRNY-QMMMGPOBSA-N -1 1 273.254 3.036 20 0 CGADMM O=C(NC/C=C\c1ccccc1)c1ccc(Cl)cc1[O-] ZINC001466495401 937709834 /nfs/dbraw/zinc/70/98/34/937709834.db2.gz XOJUIUKRGLWHCG-DAXSKMNVSA-N -1 1 287.746 3.489 20 0 CGADMM CC1(C)CN(C(=O)c2c([O-])cccc2Cl)C1(C)C ZINC001319054631 933817045 /nfs/dbraw/zinc/81/70/45/933817045.db2.gz JNTBYCYLBNGBJG-UHFFFAOYSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC2CCC1CC2 ZINC001319766500 933928866 /nfs/dbraw/zinc/92/88/66/933928866.db2.gz GDVMYEFOYCODJE-UHFFFAOYSA-N -1 1 265.740 3.060 20 0 CGADMM O=C(NCCCC1CCC1)NCc1ccc([O-])c(Cl)c1 ZINC001470838901 937758306 /nfs/dbraw/zinc/75/83/06/937758306.db2.gz IWMMJUQQLPNYBT-UHFFFAOYSA-N -1 1 296.798 3.425 20 0 CGADMM O=C(NOc1ccccc1F)c1ccc2ccccc2c1[O-] ZINC001471717481 937768936 /nfs/dbraw/zinc/76/89/36/937768936.db2.gz RTAMRTLGIKMSIB-UHFFFAOYSA-N -1 1 297.285 3.408 20 0 CGADMM CC[C@@H](C)NC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001472477443 937776641 /nfs/dbraw/zinc/77/66/41/937776641.db2.gz MBRXCHXVTVAERQ-MRVPVSSYSA-N -1 1 278.739 3.122 20 0 CGADMM O=Cc1ccc(Oc2cc(Cl)nc(=O)[n-]2)c(Cl)c1 ZINC001472675103 937780361 /nfs/dbraw/zinc/78/03/61/937780361.db2.gz DTTZPAGVEXAAOC-UHFFFAOYSA-N -1 1 285.086 3.094 20 0 CGADMM Cc1cnc(SCc2nc3ccccc3s2)[n-]c1=O ZINC001473035518 937790821 /nfs/dbraw/zinc/79/08/21/937790821.db2.gz JJWFYGCPKYDCDK-UHFFFAOYSA-N -1 1 289.385 3.393 20 0 CGADMM C[C@H](C(=O)[N-]OC(C)(C)C)c1ccc(Cl)cc1 ZINC001327429447 935059215 /nfs/dbraw/zinc/05/92/15/935059215.db2.gz SWPDOIZXQJRLMO-VIFPVBQESA-N -1 1 255.745 3.290 20 0 CGADMM O=C([O-])CN(Cc1ccc(-c2ccccc2)s1)C1CC1 ZINC001331933602 935422982 /nfs/dbraw/zinc/42/29/82/935422982.db2.gz FBHWMKAMTCJSNK-UHFFFAOYSA-N -1 1 287.384 3.464 20 0 CGADMM Cc1ccc(-c2ccc(CN[C@H](CCF)C(=O)[O-])o2)cc1 ZINC001332844575 935492252 /nfs/dbraw/zinc/49/22/52/935492252.db2.gz VEUHDKJWMBJDSN-CQSZACIVSA-N -1 1 291.322 3.157 20 0 CGADMM CC(C)(C)[C@@H]1CCN1C(=O)c1c([O-])cccc1Cl ZINC001336864808 936223909 /nfs/dbraw/zinc/22/39/09/936223909.db2.gz QYUSMHRXLKXSEA-NSHDSACASA-N -1 1 267.756 3.306 20 0 CGADMM CCC[C@](C)(CC)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001525142877 938047864 /nfs/dbraw/zinc/04/78/64/938047864.db2.gz PSHCEJCCXFMJKZ-INIZCTEOSA-N -1 1 291.395 3.216 20 0 CGADMM CC[C@H](CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)C(C)C ZINC001525142852 938047892 /nfs/dbraw/zinc/04/78/92/938047892.db2.gz PFQWLAWJDLSYMC-LLVKDONJSA-N -1 1 291.395 3.072 20 0 CGADMM CSc1cc(F)ccc1[N-]C(=O)c1ncc(Cl)cn1 ZINC001526501064 938055707 /nfs/dbraw/zinc/05/57/07/938055707.db2.gz WVRBCXSOKJEMGU-UHFFFAOYSA-N -1 1 297.742 3.243 20 0 CGADMM CC(C)C[C@H](C)CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001528204715 938066124 /nfs/dbraw/zinc/06/61/24/938066124.db2.gz BCJCTXSQSDPCBP-NSHDSACASA-N -1 1 291.395 3.072 20 0 CGADMM CSc1c(F)cccc1[N-]C(=O)c1ccnc(F)c1F ZINC001538801925 938120745 /nfs/dbraw/zinc/12/07/45/938120745.db2.gz CDSSILSVEWICMQ-UHFFFAOYSA-N -1 1 298.289 3.473 20 0 CGADMM O=C(NCC1CCCCC1)c1ncc2ccccc2c1[O-] ZINC001540496516 938131743 /nfs/dbraw/zinc/13/17/43/938131743.db2.gz XCWWCUFPQJAGFJ-UHFFFAOYSA-N -1 1 284.359 3.251 20 0 CGADMM O=C(Nc1ccccc1SC(F)F)c1ccc([O-])cn1 ZINC001540512745 938131942 /nfs/dbraw/zinc/13/19/42/938131942.db2.gz KJTNSGMDFAHVNC-UHFFFAOYSA-N -1 1 296.298 3.354 20 0 CGADMM CCC[C@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC001540665376 938132782 /nfs/dbraw/zinc/13/27/82/938132782.db2.gz SRWHCJCOBONLRH-ZDUSSCGKSA-N -1 1 270.332 3.058 20 0 CGADMM CC(C)CC[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001543601574 938140543 /nfs/dbraw/zinc/14/05/43/938140543.db2.gz BLOVDKBDEXWVBJ-CYBMUJFWSA-N -1 1 278.396 3.368 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001552228977 938190392 /nfs/dbraw/zinc/19/03/92/938190392.db2.gz PPQKZMRUAXHNHB-KBPBESRZSA-N -1 1 299.374 3.336 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)C2CCCCCC2)c([O-])c1 ZINC001556141199 938202060 /nfs/dbraw/zinc/20/20/60/938202060.db2.gz BQKLRKNXIKRZLF-GFCCVEGCSA-N -1 1 276.380 3.184 20 0 CGADMM O=C(Nc1cnc2c(c1)CCCC2)c1cccc([O-])c1F ZINC001556175801 938202188 /nfs/dbraw/zinc/20/21/88/938202188.db2.gz ATHZNSNARQIDBO-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM COc1ccc(NC(=O)c2ccccc2[O-])cc1SC ZINC001556966100 938206820 /nfs/dbraw/zinc/20/68/20/938206820.db2.gz BOBLVFOUQRIMCW-UHFFFAOYSA-N -1 1 289.356 3.375 20 0 CGADMM CCC(=O)c1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC001557495356 938210403 /nfs/dbraw/zinc/21/04/03/938210403.db2.gz PGFRKHJCSSBLJW-UHFFFAOYSA-N -1 1 299.326 3.246 20 0 CGADMM COc1cccc([C@H](C)C(=O)Nc2cccc(F)c2[O-])c1 ZINC001557955375 938212797 /nfs/dbraw/zinc/21/27/97/938212797.db2.gz ARBNUTHXTICBOU-JTQLQIEISA-N -1 1 289.306 3.282 20 0 CGADMM O=C(NCCC[C@@H]1C=CCC1)c1cc(F)ccc1[O-] ZINC001558198828 938214190 /nfs/dbraw/zinc/21/41/90/938214190.db2.gz XXESFOJWYSMXNA-LLVKDONJSA-N -1 1 263.312 3.008 20 0 CGADMM CC1(C)CCC[C@@H](CNC(=O)c2ccc(Cl)cc2[O-])O1 ZINC001558695455 938217147 /nfs/dbraw/zinc/21/71/47/938217147.db2.gz CXIIRNGIHRRUTN-NSHDSACASA-N -1 1 297.782 3.123 20 0 CGADMM CCc1ccc(C(=O)Nc2nc3c(o2)CCCC3)c([O-])c1 ZINC001558772964 938217743 /nfs/dbraw/zinc/21/77/43/938217743.db2.gz RLFOQFGCIBTNHQ-UHFFFAOYSA-N -1 1 286.331 3.074 20 0 CGADMM [O-]c1cccc(CN2CC(F)(F)OC(F)(F)C2)c1Cl ZINC001561014806 938289368 /nfs/dbraw/zinc/28/93/68/938289368.db2.gz CABKHYGUIAJZMA-UHFFFAOYSA-N -1 1 299.651 3.063 20 0 CGADMM CC[C@@H](C)CS(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC001561766900 938296350 /nfs/dbraw/zinc/29/63/50/938296350.db2.gz GMQSYSWWRZCGTA-ZYHUDNBSSA-N -1 1 297.411 3.166 20 0 CGADMM O=C([O-])c1ccc(CNCc2ccc3ccccc3n2)s1 ZINC001595231033 949348686 /nfs/dbraw/zinc/34/86/86/949348686.db2.gz UEENLOOGQPISQF-UHFFFAOYSA-N -1 1 298.367 3.284 20 0 CGADMM C[C@H]1CN(Cc2cccc(F)c2Cl)CC[C@H]1C(=O)[O-] ZINC000388350811 972167494 /nfs/dbraw/zinc/16/74/94/972167494.db2.gz AMELFTKHKUCFDN-GXSJLCMTSA-N -1 1 285.746 3.022 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN[C@@H](C)c1ccccn1 ZINC000235527226 960454135 /nfs/dbraw/zinc/45/41/35/960454135.db2.gz CHDBMYGUJXJSAI-VIFPVBQESA-N -1 1 276.361 3.001 20 0 CGADMM CCC[C@](C)(NCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000251309194 961246404 /nfs/dbraw/zinc/24/64/04/961246404.db2.gz KCHYLWFFRWYRGO-HCKVZZMMSA-N -1 1 265.353 3.136 20 0 CGADMM CC(C)[C@H](CC(F)(F)F)NC(=O)c1cccc([O-])c1F ZINC001567718892 961417498 /nfs/dbraw/zinc/41/74/98/961417498.db2.gz MDIOQRJRPRVBLI-VIFPVBQESA-N -1 1 293.260 3.238 20 0 CGADMM Cc1cnc(C(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)c([O-])c1 ZINC001567845043 961442345 /nfs/dbraw/zinc/44/23/45/961442345.db2.gz HXBGPWIFYXKABF-KGLIPLIRSA-N -1 1 290.407 3.430 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NC2[C@@H](C)CCC[C@@H]2C)c1 ZINC001568845892 961650010 /nfs/dbraw/zinc/65/00/10/961650010.db2.gz URRRZTNSNXMYPL-RYUDHWBXSA-N -1 1 289.375 3.068 20 0 CGADMM Cc1cccnc1/C=C\C(=O)Nc1ccc([O-])c(F)c1F ZINC001569010852 961667017 /nfs/dbraw/zinc/66/70/17/961667017.db2.gz PBMGIWWKXTWEGT-ALCCZGGFSA-N -1 1 290.269 3.026 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1nccc2occc21 ZINC001570103062 961906465 /nfs/dbraw/zinc/90/64/65/961906465.db2.gz BGPVFZLIGHFMSK-UHFFFAOYSA-N -1 1 290.225 3.064 20 0 CGADMM Cc1oc(C(C)(C)C)cc1CN1CCC[C@@]1(C)C(=O)[O-] ZINC001574443714 962301573 /nfs/dbraw/zinc/30/15/73/962301573.db2.gz DIFPVCMEPWUNHB-INIZCTEOSA-N -1 1 279.380 3.325 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)c([O-])c1 ZINC001583105103 962773950 /nfs/dbraw/zinc/77/39/50/962773950.db2.gz VZHOFIVJJRSYQE-JTQLQIEISA-N -1 1 298.333 3.039 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001583401375 962803063 /nfs/dbraw/zinc/80/30/63/962803063.db2.gz DUSVHZGSZSJUKJ-CHWSQXEVSA-N -1 1 298.386 3.497 20 0 CGADMM CSc1cc(Cl)ccc1NC(=O)c1ccc([O-])cn1 ZINC001584248604 962902412 /nfs/dbraw/zinc/90/24/12/962902412.db2.gz SKDFSEQTXYHTPQ-UHFFFAOYSA-N -1 1 294.763 3.415 20 0 CGADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)c([O-])c1 ZINC001586712012 963128924 /nfs/dbraw/zinc/12/89/24/963128924.db2.gz KYZBSNNVDBGGBW-UHIISALHSA-N -1 1 277.339 3.325 20 0 CGADMM CCO[C@H](C(=O)Nc1cccc(F)c1[O-])c1ccccc1 ZINC001587389954 963190448 /nfs/dbraw/zinc/19/04/48/963190448.db2.gz WMQYTYAOIYJIEB-HNNXBMFYSA-N -1 1 289.306 3.248 20 0 CGADMM Cc1nc2cc(C(=O)Nc3cccc(F)c3[O-])ccc2o1 ZINC001587389875 963191949 /nfs/dbraw/zinc/19/19/49/963191949.db2.gz SPVQNSBWBRVACA-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM C/C(=C\c1ccccc1)CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC001589003841 963337012 /nfs/dbraw/zinc/33/70/12/963337012.db2.gz NUCFEXWRZVOMPU-GXDHUFHOSA-N -1 1 296.370 3.315 20 0 CGADMM Cc1ccc(CN2CCc3c(cccc3C(=O)[O-])C2)cc1F ZINC000317547069 970368819 /nfs/dbraw/zinc/36/88/19/970368819.db2.gz XOWRVKAGZLBKOC-UHFFFAOYSA-N -1 1 299.345 3.391 20 0 CGADMM C[C@H](C1CCCCC1)N(C)Cc1ncc(C(=O)[O-])s1 ZINC001592180762 977096389 /nfs/dbraw/zinc/09/63/89/977096389.db2.gz FTQVJZNQYHWRSE-SNVBAGLBSA-N -1 1 282.409 3.242 20 0 CGADMM CC[C@@H]1CCCCN1[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595452052 981112607 /nfs/dbraw/zinc/11/26/07/981112607.db2.gz YRDRQGUGADYZPP-NXEZZACHSA-N -1 1 268.382 3.167 20 0 CGADMM CC[C@@H](C)N(CC(=O)[O-])Cc1nccc(Cl)c1Cl ZINC001594981849 982774303 /nfs/dbraw/zinc/77/43/03/982774303.db2.gz IWZIELKHGQJFMP-MRVPVSSYSA-N -1 1 291.178 3.074 20 0 CGADMM CCN([C@@H](C)c1ncc(C(=O)[O-])s1)C1CC(C)(C)C1 ZINC001596197218 983580777 /nfs/dbraw/zinc/58/07/77/983580777.db2.gz DQDLYLLMQRJQSM-VIFPVBQESA-N -1 1 282.409 3.413 20 0 CGADMM CCN(CCC(=O)[O-])Cc1ccc(F)c(Cl)c1Cl ZINC001596314898 983746703 /nfs/dbraw/zinc/74/67/03/983746703.db2.gz PHPQCEDLRIQCFB-UHFFFAOYSA-N -1 1 294.153 3.429 20 0 CGADMM C[C@@H](NCc1cncc(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC001599841816 988851843 /nfs/dbraw/zinc/85/18/43/988851843.db2.gz NSVDMTLKLUYFDC-LLVKDONJSA-N -1 1 296.326 3.377 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC2(CCCC2)C1 ZINC001593732051 996307368 /nfs/dbraw/zinc/30/73/68/996307368.db2.gz MRPXCWYCSPSYMO-JTQLQIEISA-N -1 1 280.393 3.168 20 0 CGADMM CC1(C)Nc2ccccc2[C@H]1NCc1ccc(C(=O)[O-])o1 ZINC001593971525 997138086 /nfs/dbraw/zinc/13/80/86/997138086.db2.gz AFZWFSMQFLZTSA-CQSZACIVSA-N -1 1 286.331 3.013 20 0 CGADMM C[C@@H]1C[C@@H](N[C@@H](CCC(=O)[O-])c2ccccc2)c2nccn21 ZINC001594261752 999011898 /nfs/dbraw/zinc/01/18/98/999011898.db2.gz QMBRBLHRADLKCO-VHDGCEQUSA-N -1 1 299.374 3.085 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])[nH]2)[C@H]2CCCC[C@@H]12 ZINC001594423948 999585151 /nfs/dbraw/zinc/58/51/51/999585151.db2.gz MEXOLDXVCMTJSE-ZLDLUXBVSA-N -1 1 276.380 3.114 20 0 CGADMM COc1cc(C(=O)N(C)C[C@H]2CC2(C)C)cc(Cl)c1[O-] ZINC000621055564 349455221 /nfs/dbraw/zinc/45/52/21/349455221.db2.gz YKPIJQLGZXTEOS-SNVBAGLBSA-N -1 1 297.782 3.172 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H](C(C)=O)c2ccccc2)n1 ZINC000413007319 529566706 /nfs/dbraw/zinc/56/67/06/529566706.db2.gz SLMLFWDCEACSIP-CQSZACIVSA-N -1 1 288.372 3.167 20 0 CGADMM CN(Cc1nccs1)Cc1cccc([O-])c1Cl ZINC000295064681 199326440 /nfs/dbraw/zinc/32/64/40/199326440.db2.gz AHHLPGUWQGANTH-UHFFFAOYSA-N -1 1 268.769 3.134 20 0 CGADMM CC[C@@H](C)C[C@H](NCc1cccc([O-])c1Cl)C(=O)OC ZINC000592517576 346994983 /nfs/dbraw/zinc/99/49/83/346994983.db2.gz UGSGLSWLYLSAOG-PWSUYJOCSA-N -1 1 299.798 3.113 20 0 CGADMM C[C@@H]1C[C@@H](C)N1C(=O)c1ccc2ccccc2c1[O-] ZINC000336157881 297236220 /nfs/dbraw/zinc/23/62/20/297236220.db2.gz GFMHXBSZLCIGEQ-GHMZBOCLSA-N -1 1 255.317 3.168 20 0 CGADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(Cl)o1 ZINC000029289440 344917247 /nfs/dbraw/zinc/91/72/47/344917247.db2.gz OIBHVWPHIMRUMZ-UHFFFAOYSA-N -1 1 297.645 3.056 20 0 CGADMM CCN(Cc1cccs1)Cc1occc1C(=O)[O-] ZINC000042317330 344982147 /nfs/dbraw/zinc/98/21/47/344982147.db2.gz RKONMCRZGCWXFZ-UHFFFAOYSA-N -1 1 265.334 3.061 20 0 CGADMM C[C@H]1C[C@H](C)N(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000162940325 232254744 /nfs/dbraw/zinc/25/47/44/232254744.db2.gz JIRFCQCEGCEXFQ-RYUDHWBXSA-N -1 1 269.344 3.416 20 0 CGADMM O=c1c2c([n-]n1Cc1cccc(F)c1)CCCCC2 ZINC000107892842 345935990 /nfs/dbraw/zinc/93/59/90/345935990.db2.gz HTKFIVAKNSKJQI-ZDUSSCGKSA-N -1 1 260.312 3.104 20 0 CGADMM C[C@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)cc2F)C1 ZINC000162550682 346178887 /nfs/dbraw/zinc/17/88/87/346178887.db2.gz JOQXAKVRIPKJAD-AWEZNQCLSA-N -1 1 285.746 3.166 20 0 CGADMM CCC1(CNC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000232954175 346328845 /nfs/dbraw/zinc/32/88/45/346328845.db2.gz AIQLIBXRWMUPKB-UHFFFAOYSA-N -1 1 269.344 3.465 20 0 CGADMM Cc1cnc(SCCCCC(=O)OC(C)(C)C)[n-]c1=O ZINC000594901009 347225319 /nfs/dbraw/zinc/22/53/19/347225319.db2.gz YRJKICFSDYMVKZ-UHFFFAOYSA-N -1 1 298.408 3.095 20 0 CGADMM CC(C)CCSCC(=O)Nc1cccc(F)c1[O-] ZINC000600447311 347800512 /nfs/dbraw/zinc/80/05/12/347800512.db2.gz YJTMROBVNNLILL-UHFFFAOYSA-N -1 1 271.357 3.249 20 0 CGADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)C1CC1 ZINC000273941233 192371246 /nfs/dbraw/zinc/37/12/46/192371246.db2.gz KCKXXISYBJNCNV-UHFFFAOYSA-N -1 1 297.782 3.459 20 0 CGADMM Cc1cccc([C@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2)c1 ZINC000273334187 192117253 /nfs/dbraw/zinc/11/72/53/192117253.db2.gz ZDTFLVKQWNERIR-AWEZNQCLSA-N -1 1 299.345 3.469 20 0 CGADMM C[C@H](CC(=O)Nc1c([O-])cccc1F)c1cccnc1 ZINC000608366928 348301332 /nfs/dbraw/zinc/30/13/32/348301332.db2.gz BVXXQJSHAJBLEX-SNVBAGLBSA-N -1 1 274.295 3.059 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccc(OCC)cc2)c1=O ZINC000614186896 348656525 /nfs/dbraw/zinc/65/65/25/348656525.db2.gz NXBWZAMEAKNCIE-CQSZACIVSA-N -1 1 260.337 3.224 20 0 CGADMM CCSCC[C@@H](C)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000613511404 348614059 /nfs/dbraw/zinc/61/40/59/348614059.db2.gz RIRFEUMHWHJWRO-SNVBAGLBSA-N -1 1 285.384 3.135 20 0 CGADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000613512301 348614102 /nfs/dbraw/zinc/61/41/02/348614102.db2.gz LRBFTCDEMBACIA-VXGBXAGGSA-N -1 1 297.395 3.325 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCc1ccccc1Cl ZINC000615218640 348723822 /nfs/dbraw/zinc/72/38/22/348723822.db2.gz MUGFTLRUPARPHB-UHFFFAOYSA-N -1 1 293.754 3.039 20 0 CGADMM O=C(N[C@@]12C[C@@H]1CCC2)c1ccc(C(F)(F)F)c([O-])c1 ZINC000617213796 348935793 /nfs/dbraw/zinc/93/57/93/348935793.db2.gz LYROGONPGQFFLC-ZANVPECISA-N -1 1 285.265 3.083 20 0 CGADMM CCn1ncc(C)c1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000618440246 349084610 /nfs/dbraw/zinc/08/46/10/349084610.db2.gz UJACTLFZPJVTOP-UHFFFAOYSA-N -1 1 287.363 3.293 20 0 CGADMM CC1(C)CCN(C(=O)c2cncc([O-])c2)CC(C)(C)C1 ZINC000618281414 349066579 /nfs/dbraw/zinc/06/65/79/349066579.db2.gz DLBSQASACGIISM-UHFFFAOYSA-N -1 1 276.380 3.076 20 0 CGADMM CCOc1cc(C(=O)NCC2=CCCC2)cc(Cl)c1[O-] ZINC000620001538 349303503 /nfs/dbraw/zinc/30/35/03/349303503.db2.gz YFQUMGYRUHEMTR-UHFFFAOYSA-N -1 1 295.766 3.284 20 0 CGADMM Cc1oc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1C(=O)[O-] ZINC000625971285 350237825 /nfs/dbraw/zinc/23/78/25/350237825.db2.gz SCJAQZGAEGBAMS-DTORHVGOSA-N -1 1 287.306 3.009 20 0 CGADMM Cc1oc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)cc1C(=O)[O-] ZINC000625971286 350238140 /nfs/dbraw/zinc/23/81/40/350238140.db2.gz SCJAQZGAEGBAMS-IUCAKERBSA-N -1 1 287.306 3.009 20 0 CGADMM C[C@@H]1CC=CC[C@H]1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000352217441 219366382 /nfs/dbraw/zinc/36/63/82/219366382.db2.gz JUQJZAJPUUVPEH-GHMZBOCLSA-N -1 1 287.388 3.101 20 0 CGADMM CC(C)(O)C1CCC(C(=O)Nc2cccc(F)c2[O-])CC1 ZINC000628960741 350626357 /nfs/dbraw/zinc/62/63/57/350626357.db2.gz YQALWIKFSHVRPW-UHFFFAOYSA-N -1 1 295.354 3.047 20 0 CGADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C12CCC(CC1)C2 ZINC000629378487 350684468 /nfs/dbraw/zinc/68/44/68/350684468.db2.gz YVGMBOXJIYTIEN-UHFFFAOYSA-N -1 1 297.358 3.097 20 0 CGADMM CC(C)(C)CCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629379325 350685344 /nfs/dbraw/zinc/68/53/44/350685344.db2.gz ZXRKZOKAILEEBW-UHFFFAOYSA-N -1 1 287.363 3.343 20 0 CGADMM CCCC[C@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380666 350685647 /nfs/dbraw/zinc/68/56/47/350685647.db2.gz PCALPFRCRGDEMZ-LBPRGKRZSA-N -1 1 287.363 3.343 20 0 CGADMM CCC1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CCC1 ZINC000631690606 351119777 /nfs/dbraw/zinc/11/97/77/351119777.db2.gz IITZWZVKFNCDCV-UHFFFAOYSA-N -1 1 281.783 3.285 20 0 CGADMM CC(C)[C@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000631730965 351130374 /nfs/dbraw/zinc/13/03/74/351130374.db2.gz FSKVOSVMSKUYOA-LBPRGKRZSA-N -1 1 281.783 3.093 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H]1C(F)F ZINC000633230302 351261055 /nfs/dbraw/zinc/26/10/55/351261055.db2.gz HVDGADKDVQGNMP-LBPRGKRZSA-N -1 1 277.270 3.025 20 0 CGADMM C[C@@H]1CCC[C@@H]1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632858132 351225127 /nfs/dbraw/zinc/22/51/27/351225127.db2.gz ZAIPYBLMBVPZAQ-ZYHUDNBSSA-N -1 1 281.783 3.141 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000633629250 351335197 /nfs/dbraw/zinc/33/51/97/351335197.db2.gz UEMWVOWMMNBQPS-AGIUHOORSA-N -1 1 293.794 3.141 20 0 CGADMM COc1cc(C(=O)N[C@H]2CCCC23CC3)cc(Cl)c1[O-] ZINC000633770512 351363017 /nfs/dbraw/zinc/36/30/17/351363017.db2.gz JTPQYDCRAVCZNA-LBPRGKRZSA-N -1 1 295.766 3.117 20 0 CGADMM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C1CC1 ZINC000634585586 351525151 /nfs/dbraw/zinc/52/51/51/351525151.db2.gz KUMLVYKISMCJQA-GFCCVEGCSA-N -1 1 271.345 3.045 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(OC(F)(F)F)cc3)c(=O)c21 ZINC000634587137 351525270 /nfs/dbraw/zinc/52/52/70/351525270.db2.gz FYXZZVLGKRXPQM-PELKAZGASA-N -1 1 298.264 3.334 20 0 CGADMM CCc1[n-]n(-c2cnc3ccccc3n2)c(=O)c1C(C)C ZINC000634594212 351529652 /nfs/dbraw/zinc/52/96/52/351529652.db2.gz ONZZHPFUFQTIQO-HNNXBMFYSA-N -1 1 282.347 3.015 20 0 CGADMM CCCc1[n-]n(Cc2ccccc2N(C)C)c(=O)c1CC ZINC000634596106 351532149 /nfs/dbraw/zinc/53/21/49/351532149.db2.gz WGGUAWXJVIPWKH-AWEZNQCLSA-N -1 1 287.407 3.277 20 0 CGADMM CCCc1c(C)[n-]n(Cc2cc(F)ccc2F)c1=O ZINC000634596936 351532911 /nfs/dbraw/zinc/53/29/11/351532911.db2.gz WETMBQFJUJBTKQ-GFCCVEGCSA-N -1 1 266.291 3.099 20 0 CGADMM O=c1c2c([n-]n1Cc1ccc(F)cc1F)CCCCC2 ZINC000634601105 351536425 /nfs/dbraw/zinc/53/64/25/351536425.db2.gz CRPIZIVPVAMRCX-GFCCVEGCSA-N -1 1 278.302 3.243 20 0 CGADMM C[C@H]1CCc2[n-]n(CCc3ccccc3F)c(=O)c2C1 ZINC000634612204 351542037 /nfs/dbraw/zinc/54/20/37/351542037.db2.gz ROECPSYWOPYEPH-AAEUAGOBSA-N -1 1 274.339 3.003 20 0 CGADMM CC(C)[C@@H](Cc1ccccc1)n1[n-]c(-c2ccc[nH]2)cc1=O ZINC000634621149 351547427 /nfs/dbraw/zinc/54/74/27/351547427.db2.gz APNVXJVDDYDDEW-QGZVFWFLSA-N -1 1 295.386 3.218 20 0 CGADMM C[C@@H](COc1ccccc1)n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634629158 351551566 /nfs/dbraw/zinc/55/15/66/351551566.db2.gz OBDXVWQMQQPCJG-IPYPFGDCSA-N -1 1 286.375 3.088 20 0 CGADMM Cc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)c(C)c1 ZINC000336474813 213345220 /nfs/dbraw/zinc/34/52/20/213345220.db2.gz GNVZWELUFRCXGQ-UHFFFAOYSA-N -1 1 291.297 3.217 20 0 CGADMM O=C(Nc1ccc(OC2CCCC2)cc1)c1cncc([O-])c1 ZINC000109042736 138361905 /nfs/dbraw/zinc/36/19/05/138361905.db2.gz YXKZXSFIMZLTJP-UHFFFAOYSA-N -1 1 298.342 3.361 20 0 CGADMM COc1cc(C(=O)N2CC(C)=C[C@@H](C)C2)cc(Cl)c1[O-] ZINC000336191931 213010725 /nfs/dbraw/zinc/01/07/25/213010725.db2.gz BHFMJLNZHCTMBP-SECBINFHSA-N -1 1 295.766 3.092 20 0 CGADMM C[C@H](F)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000436533404 237125457 /nfs/dbraw/zinc/12/54/57/237125457.db2.gz JBUADSFSNCGJBV-JTQLQIEISA-N -1 1 261.296 3.023 20 0 CGADMM COc1ccnc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436566800 237131124 /nfs/dbraw/zinc/13/11/24/237131124.db2.gz YNQCKTFDTZMTJP-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM O=C(C(=O)N(CC1CC1)c1ccccc1)c1ccc([O-])cc1 ZINC000436703954 237164126 /nfs/dbraw/zinc/16/41/26/237164126.db2.gz NKOSLLNEPTXOMF-UHFFFAOYSA-N -1 1 295.338 3.018 20 0 CGADMM Cc1cncc(CCc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000436781311 237178594 /nfs/dbraw/zinc/17/85/94/237178594.db2.gz BRCSSUNXXMMIHQ-UHFFFAOYSA-N -1 1 299.305 3.070 20 0 CGADMM O=C(Nc1ccc(OC2CCCC2)nc1)c1ccccc1[O-] ZINC000436789167 237180462 /nfs/dbraw/zinc/18/04/62/237180462.db2.gz CZWVUNQKNOJIIU-UHFFFAOYSA-N -1 1 298.342 3.361 20 0 CGADMM Cc1cccc(CN(C)C(=O)c2ccc([O-])cc2F)c1C ZINC000436804281 237180620 /nfs/dbraw/zinc/18/06/20/237180620.db2.gz TZHIYUHZUKJCMW-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM O=C(NCc1cc(F)cc(F)c1)c1ccc(Cl)cc1[O-] ZINC000436980990 237227033 /nfs/dbraw/zinc/22/70/33/237227033.db2.gz BBGCJFTZHQUBDO-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM CCn1c2ccccc2nc1NC(=O)c1ccc([O-])cc1F ZINC000436862850 237198516 /nfs/dbraw/zinc/19/85/16/237198516.db2.gz QFCQIXXINJBETG-UHFFFAOYSA-N -1 1 299.305 3.153 20 0 CGADMM Cc1coc(C)c1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436881888 237201014 /nfs/dbraw/zinc/20/10/14/237201014.db2.gz YWMXCSZIHYOMDG-UHFFFAOYSA-N -1 1 274.251 3.458 20 0 CGADMM O=C(NCc1c(F)cccc1Cl)c1c([O-])cccc1F ZINC000436946108 237217013 /nfs/dbraw/zinc/21/70/13/237217013.db2.gz OFENWWOJGBNVHF-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM O=C(CCc1ccccc1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000342270962 216285244 /nfs/dbraw/zinc/28/52/44/216285244.db2.gz HPJSGRKENUBDIA-UHFFFAOYSA-N -1 1 297.383 3.131 20 0 CGADMM CCCc1cc(=O)[n-]c(SCC2CC(F)(F)C2)n1 ZINC000450627252 240005065 /nfs/dbraw/zinc/00/50/65/240005065.db2.gz HZJRLXGGMCSBBS-UHFFFAOYSA-N -1 1 274.336 3.272 20 0 CGADMM CCC[C@]1(C)CCCN(C(=O)c2ncc(C)cc2[O-])C1 ZINC000408224154 284054267 /nfs/dbraw/zinc/05/42/67/284054267.db2.gz NPHSXOIDFOJUIT-MRXNPFEDSA-N -1 1 276.380 3.138 20 0 CGADMM CN(C(=O)c1ccc(Cl)cc1[O-])C1CCCCC1 ZINC000019839334 368769504 /nfs/dbraw/zinc/76/95/04/368769504.db2.gz UIUQATTYTNMSRO-UHFFFAOYSA-N -1 1 267.756 3.450 20 0 CGADMM CCN(C(=O)c1ccc(OC)cc1[O-])c1ccccc1C ZINC000019838787 368770348 /nfs/dbraw/zinc/77/03/48/368770348.db2.gz WOYIPCCIRUGEQS-UHFFFAOYSA-N -1 1 285.343 3.376 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)s1 ZINC000032532074 368933691 /nfs/dbraw/zinc/93/36/91/368933691.db2.gz PPQUQWSKLMCXFS-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM CC[C@@H](C)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000044490610 369262779 /nfs/dbraw/zinc/26/27/79/369262779.db2.gz CNTPDEPZLSIIRZ-MRVPVSSYSA-N -1 1 286.169 3.025 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](c2cccs2)C2CC2)c([O-])c1 ZINC000494919912 244331385 /nfs/dbraw/zinc/33/13/85/244331385.db2.gz FLVADDPYYQMDBB-CYBMUJFWSA-N -1 1 288.372 3.038 20 0 CGADMM Cc1cc(-c2nc(=O)c3sccc3[n-]2)ccc1F ZINC000048603532 369362027 /nfs/dbraw/zinc/36/20/27/369362027.db2.gz KAERKWUNOWPQOL-UHFFFAOYSA-N -1 1 260.293 3.099 20 0 CGADMM C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000062924146 369633162 /nfs/dbraw/zinc/63/31/62/369633162.db2.gz CTVBHAOMVIOQOX-JTQLQIEISA-N -1 1 267.756 3.308 20 0 CGADMM C[C@]1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000062935141 369633296 /nfs/dbraw/zinc/63/32/96/369633296.db2.gz YQNLGWOMENSIMF-ZDUSSCGKSA-N -1 1 288.174 3.290 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000331204505 203623308 /nfs/dbraw/zinc/62/33/08/203623308.db2.gz OIFPYPRKKOOABV-DZGCQCFKSA-N -1 1 296.370 3.114 20 0 CGADMM CC[C@H](C)Oc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000111772293 370407036 /nfs/dbraw/zinc/40/70/36/370407036.db2.gz HWZRDPDPKLZKLV-NSHDSACASA-N -1 1 286.331 3.217 20 0 CGADMM CC(C)C[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000111823947 370407845 /nfs/dbraw/zinc/40/78/45/370407845.db2.gz IWWCEWJQHKNTNR-INIZCTEOSA-N -1 1 284.359 3.304 20 0 CGADMM [O-]c1cccc(CNc2ccc(Cl)cn2)c1Cl ZINC000513002003 245059527 /nfs/dbraw/zinc/05/95/27/245059527.db2.gz QYTAJMSOYNAQOB-UHFFFAOYSA-N -1 1 269.131 3.128 20 0 CGADMM O=C(Nc1ccc(OC(F)F)cc1)c1cc(F)ccc1[O-] ZINC000149005158 371526240 /nfs/dbraw/zinc/52/62/40/371526240.db2.gz KPUWITLJQCNCRI-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM COc1cc(C(=O)N(C)[C@H](C)C2(C)CC2)cc(Cl)c1[O-] ZINC000153964696 371806808 /nfs/dbraw/zinc/80/68/08/371806808.db2.gz DCYAQGVZFVZLNV-SECBINFHSA-N -1 1 297.782 3.315 20 0 CGADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc([O-])cc1F ZINC000154784029 371879028 /nfs/dbraw/zinc/87/90/28/371879028.db2.gz LFZFLENXPRQWFK-IINYFYTJSA-N -1 1 265.328 3.182 20 0 CGADMM CCc1c(C)sc2[nH]c(-c3ccc([O-])cn3)nc(=O)c12 ZINC000427463344 372173501 /nfs/dbraw/zinc/17/35/01/372173501.db2.gz DWZNZBGDCSHFLX-UHFFFAOYSA-N -1 1 287.344 3.035 20 0 CGADMM CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000293469697 372389863 /nfs/dbraw/zinc/38/98/63/372389863.db2.gz UTEFOKGLSBEZHU-GWCFXTLKSA-N -1 1 283.755 3.189 20 0 CGADMM Cc1nc(C(C)C)oc1C(=O)Nc1ccc(F)cc1[O-] ZINC000293594847 372420375 /nfs/dbraw/zinc/42/03/75/372420375.db2.gz XIFZPDGXQIYWAD-UHFFFAOYSA-N -1 1 278.283 3.203 20 0 CGADMM COC[C@H](NCc1cccc([O-])c1Cl)c1ccc(C)o1 ZINC000293631916 372430939 /nfs/dbraw/zinc/43/09/39/372430939.db2.gz RCWWFTAQDHEFIP-LBPRGKRZSA-N -1 1 295.766 3.424 20 0 CGADMM C[C@@H](C(=O)[N-]OCC1CC1)c1ccc2ccccc2c1 ZINC000293745234 372466611 /nfs/dbraw/zinc/46/66/11/372466611.db2.gz JOQHVJYHOMFSCJ-GFCCVEGCSA-N -1 1 269.344 3.401 20 0 CGADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1ccc([O-])cc1F ZINC000294754206 372670759 /nfs/dbraw/zinc/67/07/59/372670759.db2.gz ZFTLDGRCUAEJLC-MRXNPFEDSA-N -1 1 299.345 3.455 20 0 CGADMM CC1=CCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000435587258 372780749 /nfs/dbraw/zinc/78/07/49/372780749.db2.gz CDGVOMXIRVTUBD-UHFFFAOYSA-N -1 1 296.374 3.017 20 0 CGADMM CC[C@H](C)n1ncc(NC(=O)c2ccc([O-])cc2F)c1C ZINC000436596393 372838857 /nfs/dbraw/zinc/83/88/57/372838857.db2.gz LVGMWPYCKMMWCM-VIFPVBQESA-N -1 1 291.326 3.260 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2nc(C)cs2)n1 ZINC000173320551 373124689 /nfs/dbraw/zinc/12/46/89/373124689.db2.gz QXDKSQUOIHFWEB-UHFFFAOYSA-N -1 1 281.406 3.192 20 0 CGADMM Cc1cc(CN(C)C(=O)c2cc(F)ccc2[O-])ccc1F ZINC000444443424 373188078 /nfs/dbraw/zinc/18/80/78/373188078.db2.gz PDNSHMBZWRSOCJ-UHFFFAOYSA-N -1 1 291.297 3.251 20 0 CGADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(-c2cccnc2)cc1 ZINC000176658761 373621074 /nfs/dbraw/zinc/62/10/74/373621074.db2.gz RSBDJBZZXPCDRA-JTQLQIEISA-N -1 1 294.276 3.488 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]1C1CC1 ZINC000367582429 296206081 /nfs/dbraw/zinc/20/60/81/296206081.db2.gz KYLNAUSNYBTCHJ-GFCCVEGCSA-N -1 1 299.292 3.426 20 0 CGADMM O=C(CSc1ccc(Cl)cn1)c1ccc([O-])cc1 ZINC000070211528 541892092 /nfs/dbraw/zinc/89/20/92/541892092.db2.gz UUXDLTFHTZAQQS-UHFFFAOYSA-N -1 1 279.748 3.416 20 0 CGADMM CC(=O)c1[n-]c(=N[C@H]2CCc3cc(F)ccc32)sc1C ZINC000450272342 374033071 /nfs/dbraw/zinc/03/30/71/374033071.db2.gz BHKRGSYEDMGIGZ-ZDUSSCGKSA-N -1 1 290.363 3.315 20 0 CGADMM C[C@@H]1SCC[N@@H+](CCCCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000181566474 374141681 /nfs/dbraw/zinc/14/16/81/374141681.db2.gz QCQNMASVYOGGHA-BBRMVZONSA-N -1 1 293.432 3.420 20 0 CGADMM CSC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000311954544 374263847 /nfs/dbraw/zinc/26/38/47/374263847.db2.gz MEWLGUMMRIGWEY-JTQLQIEISA-N -1 1 299.823 3.261 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)[C@H]1C(C)C ZINC000456334835 374517556 /nfs/dbraw/zinc/51/75/56/374517556.db2.gz MMAPKKRWHFFWKR-BONVTDFDSA-N -1 1 297.345 3.423 20 0 CGADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])[C@@H]1CCCOC1 ZINC000332508697 374579412 /nfs/dbraw/zinc/57/94/12/374579412.db2.gz UDMXSAOWMXEVIQ-IUODEOHRSA-N -1 1 299.370 3.090 20 0 CGADMM CC(C)(C)CCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456775614 374620083 /nfs/dbraw/zinc/62/00/83/374620083.db2.gz CYBRNCIKJYDVPH-UHFFFAOYSA-N -1 1 257.280 3.435 20 0 CGADMM COc1cc(C(=O)Nc2ccsc2)cc(Cl)c1[O-] ZINC000334593869 374891846 /nfs/dbraw/zinc/89/18/46/374891846.db2.gz HPYREJDVIDEYCX-UHFFFAOYSA-N -1 1 283.736 3.368 20 0 CGADMM C[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)C1CCC1 ZINC000334562888 374863638 /nfs/dbraw/zinc/86/36/38/374863638.db2.gz GEIMXQRGNKPIMX-SSDOTTSWSA-N -1 1 255.264 3.045 20 0 CGADMM CCOc1cc(C(=O)N[C@H]2CC=CCC2)cc(Cl)c1[O-] ZINC000186821777 374923285 /nfs/dbraw/zinc/92/32/85/374923285.db2.gz NNEPUYFGBILYAE-NSHDSACASA-N -1 1 295.766 3.283 20 0 CGADMM O=C(Nc1ccsc1Cl)c1ccccc1[O-] ZINC000186965932 374947310 /nfs/dbraw/zinc/94/73/10/374947310.db2.gz TYKSEHOLONJASJ-UHFFFAOYSA-N -1 1 253.710 3.359 20 0 CGADMM O=C([N-]c1c(F)cc(Cl)cc1F)c1cncs1 ZINC000334674314 374964355 /nfs/dbraw/zinc/96/43/55/374964355.db2.gz OGHSTUQXVZXWED-UHFFFAOYSA-N -1 1 274.679 3.327 20 0 CGADMM CO[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CC[C@H]1C ZINC000187832250 375104851 /nfs/dbraw/zinc/10/48/51/375104851.db2.gz DGOWAQSMKBWLQO-PXAZEXFGSA-N -1 1 299.370 3.042 20 0 CGADMM C[C@]1(C(=O)Nc2ccc([O-])c(F)c2F)C[C@H]2C[C@H]2C1 ZINC000335215757 375234693 /nfs/dbraw/zinc/23/46/93/375234693.db2.gz LRCQWMOHZFXBLI-ATTMTXSRSA-N -1 1 267.275 3.045 20 0 CGADMM C[C@H]1[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1(F)F ZINC000336157069 375734250 /nfs/dbraw/zinc/73/42/50/375734250.db2.gz ZXFMGPPSKMPORX-CDUCUWFYSA-N -1 1 286.665 3.464 20 0 CGADMM CC(C)=C(F)c1nc(-c2ccc([O-])cc2F)no1 ZINC000336180096 375753192 /nfs/dbraw/zinc/75/31/92/375753192.db2.gz RZAYGTORLLGAGY-UHFFFAOYSA-N -1 1 252.220 3.302 20 0 CGADMM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)C(F)(F)F ZINC000336179538 375753749 /nfs/dbraw/zinc/75/37/49/375753749.db2.gz OKXPYGKQWPJHBM-RXMQYKEDSA-N -1 1 276.189 3.247 20 0 CGADMM C[C@@H]1c2ccccc2CCN1Cc1occc1C(=O)[O-] ZINC000517751008 375826900 /nfs/dbraw/zinc/82/69/00/375826900.db2.gz ZUOHHSRTBXZELX-LLVKDONJSA-N -1 1 271.316 3.097 20 0 CGADMM COc1c(C)ccc(NC(=O)c2ccccc2[O-])c1C ZINC000193269406 375850041 /nfs/dbraw/zinc/85/00/41/375850041.db2.gz MDULGAXXAYBPHH-UHFFFAOYSA-N -1 1 271.316 3.270 20 0 CGADMM CCOc1ccc(NC(=O)c2ccc(O)cc2[O-])c(C)c1 ZINC000193396578 375873871 /nfs/dbraw/zinc/87/38/71/375873871.db2.gz UUUGMZGGOWFUSB-UHFFFAOYSA-N -1 1 287.315 3.057 20 0 CGADMM CCN(C[C@@H]1CCCO1)C(=O)c1ccc2ccccc2c1[O-] ZINC000194305864 375979385 /nfs/dbraw/zinc/97/93/85/375979385.db2.gz NQTRMHIGDQIYJK-AWEZNQCLSA-N -1 1 299.370 3.187 20 0 CGADMM CCOc1ncccc1NCc1cccc([O-])c1Cl ZINC000336903417 376026860 /nfs/dbraw/zinc/02/68/60/376026860.db2.gz VEFLNZRAIXDJLP-UHFFFAOYSA-N -1 1 278.739 3.451 20 0 CGADMM CSC1(CNC(=O)c2cc(Cl)ccc2[O-])CCC1 ZINC000228638355 376444250 /nfs/dbraw/zinc/44/42/50/376444250.db2.gz NJDHFPHVEINRLI-UHFFFAOYSA-N -1 1 285.796 3.061 20 0 CGADMM O=S(=O)([N-]CCCC1CCCC1)c1sccc1F ZINC000338864390 376553447 /nfs/dbraw/zinc/55/34/47/376553447.db2.gz ZHCJVPOVSHTDDE-UHFFFAOYSA-N -1 1 291.413 3.136 20 0 CGADMM O=C(Nc1ccc(F)cc1)c1c(F)ccc([O-])c1F ZINC000334323981 206371230 /nfs/dbraw/zinc/37/12/30/206371230.db2.gz KCSXBCQIZARALG-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccsc1 ZINC000339132848 376698837 /nfs/dbraw/zinc/69/88/37/376698837.db2.gz JHAQTCOSTNJRPC-UHFFFAOYSA-N -1 1 285.328 3.096 20 0 CGADMM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340327935 377001875 /nfs/dbraw/zinc/00/18/75/377001875.db2.gz HAERGTBHQDISMF-VIFPVBQESA-N -1 1 293.269 3.076 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000340330071 377008249 /nfs/dbraw/zinc/00/82/49/377008249.db2.gz NYBUZUOJBVJTHR-STQMWFEESA-N -1 1 289.281 3.413 20 0 CGADMM Cc1c(F)cccc1-c1ccc(CNC(C)(C)C(=O)[O-])o1 ZINC000340678939 377211698 /nfs/dbraw/zinc/21/16/98/377211698.db2.gz NIWATSOGGUSCLL-UHFFFAOYSA-N -1 1 291.322 3.347 20 0 CGADMM CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)s1 ZINC000563393394 377456106 /nfs/dbraw/zinc/45/61/06/377456106.db2.gz VIHNOECKVZRGFM-NSHDSACASA-N -1 1 296.436 3.127 20 0 CGADMM O=C([O-])CCC1CCN(Cc2sccc2Cl)CC1 ZINC000310663389 321958038 /nfs/dbraw/zinc/95/80/38/321958038.db2.gz FKLONRXEONUPQW-UHFFFAOYSA-N -1 1 287.812 3.478 20 0 CGADMM CCCOc1ccccc1NC(=O)c1ccccc1[O-] ZINC000084831012 249011923 /nfs/dbraw/zinc/01/19/23/249011923.db2.gz BEDRWJBEARLKJM-UHFFFAOYSA-N -1 1 271.316 3.433 20 0 CGADMM CCC[C@H](C)S(=O)(=O)[N-]c1cccc2ccc(C)nc21 ZINC000573972277 377600161 /nfs/dbraw/zinc/60/01/61/377600161.db2.gz HXHWHHZVTYBXQX-LBPRGKRZSA-N -1 1 292.404 3.474 20 0 CGADMM Cc1cc([C@@H]2CCCN2Cc2ccsc2C(=O)[O-])on1 ZINC000574763201 377705783 /nfs/dbraw/zinc/70/57/83/377705783.db2.gz NBBITFFDDDMSLE-NSHDSACASA-N -1 1 292.360 3.080 20 0 CGADMM O=C([O-])[C@@H](NCc1ccnc2ccccc12)c1cccs1 ZINC000575113225 377749152 /nfs/dbraw/zinc/74/91/52/377749152.db2.gz CLXIYFMZDXRQKG-HNNXBMFYSA-N -1 1 298.367 3.212 20 0 CGADMM Cc1ccc([C@H](NCc2ccc(F)cc2F)C(=O)[O-])cc1 ZINC000578004521 378028558 /nfs/dbraw/zinc/02/85/58/378028558.db2.gz IHZRJTRCNCMIBV-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000343604921 378036911 /nfs/dbraw/zinc/03/69/11/378036911.db2.gz OGEWCTAMNAKCKM-MLGOLLRUSA-N -1 1 285.347 3.157 20 0 CGADMM CCc1nc(SCc2cnoc2C2CC2)[n-]c(=O)c1C ZINC000579130941 378132529 /nfs/dbraw/zinc/13/25/29/378132529.db2.gz WCVMZRAJJODRFR-UHFFFAOYSA-N -1 1 291.376 3.211 20 0 CGADMM Cc1nc(CCCC(=O)Nc2ccc(F)cc2[O-])cs1 ZINC000269067780 378183387 /nfs/dbraw/zinc/18/33/87/378183387.db2.gz SEYMUZDZAUXOIZ-UHFFFAOYSA-N -1 1 294.351 3.258 20 0 CGADMM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000269927796 378282986 /nfs/dbraw/zinc/28/29/86/378282986.db2.gz JXUCKHVPAIQGPI-MRVPVSSYSA-N -1 1 292.310 3.268 20 0 CGADMM CCCCc1nc(CN(C[C@H](C)C(=O)[O-])C2CC2)cs1 ZINC000582306925 378302398 /nfs/dbraw/zinc/30/23/98/378302398.db2.gz LMKGLCMVIMQNNU-NSHDSACASA-N -1 1 296.436 3.171 20 0 CGADMM COCCCCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289462968 197359767 /nfs/dbraw/zinc/35/97/67/197359767.db2.gz GJNKNVQIYTXHQB-UHFFFAOYSA-N -1 1 278.324 3.029 20 0 CGADMM Cc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])o1 ZINC000277373252 379142493 /nfs/dbraw/zinc/14/24/93/379142493.db2.gz QKSXCZYNHAMHBO-IUODEOHRSA-N -1 1 273.332 3.140 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CCCS3)n2)cc1F ZINC000278215297 379319473 /nfs/dbraw/zinc/31/94/73/379319473.db2.gz QONBSISSRPVDEE-SNVBAGLBSA-N -1 1 266.297 3.149 20 0 CGADMM COCCC[C@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000278128727 379297209 /nfs/dbraw/zinc/29/72/09/379297209.db2.gz KCMUBOXMCFVUNE-VIFPVBQESA-N -1 1 280.299 3.111 20 0 CGADMM Cc1nc(C)c(-c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000350837162 379591823 /nfs/dbraw/zinc/59/18/23/379591823.db2.gz PNDVRPMLXXITCT-UHFFFAOYSA-N -1 1 291.307 3.322 20 0 CGADMM CC[C@H](C)CN(C)C(=O)N=c1[n-]sc2ccccc21 ZINC000640342777 379770491 /nfs/dbraw/zinc/77/04/91/379770491.db2.gz PZMRRCFWDYDLHD-JTQLQIEISA-N -1 1 277.393 3.228 20 0 CGADMM CCC[C@@H](C)N(C)C(=O)N=c1[n-]sc2ccccc21 ZINC000640342131 379771023 /nfs/dbraw/zinc/77/10/23/379771023.db2.gz NFVTXFALPZLPPR-SNVBAGLBSA-N -1 1 277.393 3.371 20 0 CGADMM CCO[C@@H]1C[C@@H](NCc2c(F)ccc(O)c2F)C12CCC2 ZINC000352570327 379863354 /nfs/dbraw/zinc/86/33/54/379863354.db2.gz FZDBSAFVNPDKRP-ZIAGYGMSSA-N -1 1 297.345 3.108 20 0 CGADMM CCc1nc(SCC(F)(F)CC)[n-]c(=O)c1C ZINC000641486331 380016007 /nfs/dbraw/zinc/01/60/07/380016007.db2.gz AZAWQLARESBWCP-UHFFFAOYSA-N -1 1 262.325 3.190 20 0 CGADMM O=C(Nc1ccncc1[O-])c1ccc(C2=CCCC2)cc1 ZINC000354245703 380375408 /nfs/dbraw/zinc/37/54/08/380375408.db2.gz WLHMTKWOEYVOPL-UHFFFAOYSA-N -1 1 280.327 3.029 20 0 CGADMM C[C@H](N=c1ccc(N2CCC[C@@H]3C[C@@H]32)n[n-]1)c1ccccc1 ZINC000644877178 380536582 /nfs/dbraw/zinc/53/65/82/380536582.db2.gz ZUDKVNUWZCNSIL-IMJJTQAJSA-N -1 1 294.402 3.060 20 0 CGADMM Cc1csc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC000417563026 380639917 /nfs/dbraw/zinc/63/99/17/380639917.db2.gz MXIMNYKLJPFVBX-SMDDNHRTSA-N -1 1 290.388 3.003 20 0 CGADMM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(Cl)o1)c1ccccc1 ZINC000417563040 380640137 /nfs/dbraw/zinc/64/01/37/380640137.db2.gz MYACICTXTZTSDE-YGRLFVJLSA-N -1 1 293.750 3.485 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000360229594 381490831 /nfs/dbraw/zinc/49/08/31/381490831.db2.gz DKIRFSWMJMSGHP-UHFFFAOYSA-N -1 1 267.375 3.111 20 0 CGADMM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361398202 381731572 /nfs/dbraw/zinc/73/15/72/381731572.db2.gz QYMZAKHELPLGRQ-STQMWFEESA-N -1 1 285.347 3.013 20 0 CGADMM COc1cccc(Cl)c1C[N@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000228805351 542299026 /nfs/dbraw/zinc/29/90/26/542299026.db2.gz RWYJIAKWKHVLNP-OAHLLOKOSA-N -1 1 297.782 3.035 20 0 CGADMM Cc1ccc([C@@H](C)NCc2cccc(C(=O)[O-])c2)o1 ZINC000235214569 542311451 /nfs/dbraw/zinc/31/14/51/542311451.db2.gz REPAETPMQLWJKN-LLVKDONJSA-N -1 1 259.305 3.137 20 0 CGADMM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cncc([O-])c2)C1 ZINC000286219155 542391818 /nfs/dbraw/zinc/39/18/18/542391818.db2.gz CXINJYOJPCGBHE-BLLLJJGKSA-N -1 1 282.343 3.011 20 0 CGADMM CN(Cc1ccco1)Cc1cccc([O-])c1Cl ZINC000350279802 219005257 /nfs/dbraw/zinc/00/52/57/219005257.db2.gz SJUBKYKBMVSPHD-UHFFFAOYSA-N -1 1 251.713 3.271 20 0 CGADMM CC1(C)CC[C@H](c2nc(-c3ccc([O-])cc3F)no2)O1 ZINC000289152149 197248159 /nfs/dbraw/zinc/24/81/59/197248159.db2.gz TTYMVNIIOXQUEC-LLVKDONJSA-N -1 1 278.283 3.211 20 0 CGADMM CC(C)C[C@H]1CCCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000288369338 197060733 /nfs/dbraw/zinc/06/07/33/197060733.db2.gz KUQNLGKRVPQIDT-CQSZACIVSA-N -1 1 289.375 3.002 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(CF)CCC1 ZINC000335487147 542469341 /nfs/dbraw/zinc/46/93/41/542469341.db2.gz NVSNJFISKYKDMS-UHFFFAOYSA-N -1 1 257.692 3.124 20 0 CGADMM COc1ccc(C(=O)Nc2cc(F)c(F)cc2F)c([O-])c1 ZINC000061094616 392125472 /nfs/dbraw/zinc/12/54/72/392125472.db2.gz BSGKAVXDYSRRIH-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM Cc1ncsc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000071213702 392190316 /nfs/dbraw/zinc/19/03/16/392190316.db2.gz SDUWUJCVSHUNSN-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM CCOCCN(CC)C(=O)c1ccc2ccccc2c1[O-] ZINC000107062425 392315232 /nfs/dbraw/zinc/31/52/32/392315232.db2.gz ACCYZSZRPUTPLC-UHFFFAOYSA-N -1 1 287.359 3.044 20 0 CGADMM O=c1[n-]c(-c2cnc3ccsc3c2)nc2ccc(O)cc12 ZINC000436924076 542659019 /nfs/dbraw/zinc/65/90/19/542659019.db2.gz FBDSVRQAHUAVFS-UHFFFAOYSA-N -1 1 295.323 3.318 20 0 CGADMM COCC1(CNC(=O)c2ccc3ccccc3c2[O-])CCC1 ZINC000319269283 392671431 /nfs/dbraw/zinc/67/14/31/392671431.db2.gz FMNVQFHWRKDIRN-UHFFFAOYSA-N -1 1 299.370 3.092 20 0 CGADMM Cc1cc([C@H](C)NC(=O)c2ccc([O-])cc2F)c(C)o1 ZINC000181187268 392724390 /nfs/dbraw/zinc/72/43/90/392724390.db2.gz COUPQPOUCNBINU-VIFPVBQESA-N -1 1 277.295 3.232 20 0 CGADMM CO[C@H](C)c1nc(=NCC[C@H]2CCCC[C@@H]2C)s[n-]1 ZINC000509554617 392759259 /nfs/dbraw/zinc/75/92/59/392759259.db2.gz RAYHDJLUTMKJPK-QJPTWQEYSA-N -1 1 283.441 3.296 20 0 CGADMM CC[C@H](CC1CCCCC1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000647815561 392808821 /nfs/dbraw/zinc/80/88/21/392808821.db2.gz BQIZOLPYWTXRPP-GFCCVEGCSA-N -1 1 279.384 3.359 20 0 CGADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)CC2(CCC2)O1 ZINC000648074044 392904856 /nfs/dbraw/zinc/90/48/56/392904856.db2.gz MGKPVOONPKJUBM-LLVKDONJSA-N -1 1 281.783 3.189 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000195067742 392954177 /nfs/dbraw/zinc/95/41/77/392954177.db2.gz XXVLLRNHSFVEEA-QMMMGPOBSA-N -1 1 296.342 3.464 20 0 CGADMM C[C@H](CNc1ccnc2cc(C(F)(F)F)ccc21)C(=O)[O-] ZINC000649401860 393411959 /nfs/dbraw/zinc/41/19/59/393411959.db2.gz NCFLDALIXVDQHO-MRVPVSSYSA-N -1 1 298.264 3.386 20 0 CGADMM CO[C@H](CC(C)C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000420493780 393489221 /nfs/dbraw/zinc/48/92/21/393489221.db2.gz PHRNGEALKLQKPU-GFCCVEGCSA-N -1 1 280.299 3.315 20 0 CGADMM Cc1cc(C)c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)o1 ZINC000488953827 393565459 /nfs/dbraw/zinc/56/54/59/393565459.db2.gz ZEGLAZYQJITTDP-UHFFFAOYSA-N -1 1 297.314 3.244 20 0 CGADMM Cc1nc(SCC(=O)C2CCCCCC2)[n-]c(=O)c1C ZINC000432496416 393615732 /nfs/dbraw/zinc/61/57/32/393615732.db2.gz VUFKAAYYSDXVPK-UHFFFAOYSA-N -1 1 294.420 3.431 20 0 CGADMM [O-]c1ccc(-c2noc(Cc3ccsc3)n2)c(F)c1 ZINC000445460584 393796556 /nfs/dbraw/zinc/79/65/56/393796556.db2.gz BNLIXDLKKJTFGN-UHFFFAOYSA-N -1 1 276.292 3.234 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C/c3cccc(O)c3)n2)c(F)c1 ZINC000445458119 393796646 /nfs/dbraw/zinc/79/66/46/393796646.db2.gz RBEAJPPITRVFGJ-QPJJXVBHSA-N -1 1 298.273 3.457 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\c3ccc[nH]3)n2)c(F)c1 ZINC000445462322 393797910 /nfs/dbraw/zinc/79/79/10/393797910.db2.gz KMSFYQMAWNZHHU-UTCJRWHESA-N -1 1 271.251 3.080 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C/c3ccco3)n2)cc1F ZINC000445485707 393800048 /nfs/dbraw/zinc/80/00/48/393800048.db2.gz CDZOEWMPXHLIBB-GQCTYLIASA-N -1 1 272.235 3.345 20 0 CGADMM C[C@@H]1[C@@H](C)CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000669137606 543089343 /nfs/dbraw/zinc/08/93/43/543089343.db2.gz AUNZSJHRBNQHHQ-NWDGAFQWSA-N -1 1 284.359 3.201 20 0 CGADMM CN(C(=O)c1ccc([O-])c(F)c1)C1CCC(F)(F)CC1 ZINC000673393774 543240555 /nfs/dbraw/zinc/24/05/55/543240555.db2.gz ZMBRLBUPGDWHFD-UHFFFAOYSA-N -1 1 287.281 3.181 20 0 CGADMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccccc1 ZINC000673981623 543261552 /nfs/dbraw/zinc/26/15/52/543261552.db2.gz HMJDHJFFVPVWLS-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CCCCc1nc(CN2CCCC[C@H]2CC(=O)[O-])cs1 ZINC000650506404 397860472 /nfs/dbraw/zinc/86/04/72/397860472.db2.gz KNMYYQSSRBNJHQ-ZDUSSCGKSA-N -1 1 296.436 3.315 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ccc(C)cn2)n1 ZINC000676410934 543396217 /nfs/dbraw/zinc/39/62/17/543396217.db2.gz LGUZYOHEKJVSPJ-UHFFFAOYSA-N -1 1 275.377 3.130 20 0 CGADMM Cc1[nH]nc(NC(=O)c2ccc(C(C)C)cc2[O-])c1C ZINC000678308191 543513580 /nfs/dbraw/zinc/51/35/80/543513580.db2.gz LGWZHIWDYQCCHF-UHFFFAOYSA-N -1 1 273.336 3.108 20 0 CGADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccsc1Cl ZINC000263494049 300054715 /nfs/dbraw/zinc/05/47/15/300054715.db2.gz JDEQYWDVAQNCBG-WPRPVWTQSA-N -1 1 273.785 3.087 20 0 CGADMM CCN(CC(C)C)C(=O)c1cc(Cl)ccc1[O-] ZINC000037023445 286883726 /nfs/dbraw/zinc/88/37/26/286883726.db2.gz QUDZGILXUHLMST-UHFFFAOYSA-N -1 1 255.745 3.164 20 0 CGADMM CC1(C)CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000070261421 286987526 /nfs/dbraw/zinc/98/75/26/286987526.db2.gz DTKQPHDSSAVVEX-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM C[C@@]1(C(=O)[O-])CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000062936151 165031143 /nfs/dbraw/zinc/03/11/43/165031143.db2.gz WZGFNSUZZCHQGO-CYBMUJFWSA-N -1 1 288.174 3.290 20 0 CGADMM O=C(Nc1ccncc1[O-])c1cccc(-c2ccoc2)c1 ZINC000089822396 287095326 /nfs/dbraw/zinc/09/53/26/287095326.db2.gz FLEZTYIFOUXFRF-UHFFFAOYSA-N -1 1 280.283 3.300 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(C)cc2F)c([O-])c1 ZINC000020363075 171162497 /nfs/dbraw/zinc/16/24/97/171162497.db2.gz ZBDAZYPMLOHSDC-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM CCC[C@H](C)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000035239220 172077220 /nfs/dbraw/zinc/07/72/20/172077220.db2.gz DFTLTMMSCLVBOZ-VIFPVBQESA-N -1 1 255.745 3.306 20 0 CGADMM CN(Cc1ccsc1)Cc1cccc(C(=O)[O-])c1 ZINC000035719460 172374177 /nfs/dbraw/zinc/37/41/77/172374177.db2.gz JTDNHIFVEYTFGJ-UHFFFAOYSA-N -1 1 261.346 3.078 20 0 CGADMM CCN(C(=O)c1ccc(Br)cc1[O-])C(C)C ZINC000044490593 175180505 /nfs/dbraw/zinc/18/05/05/175180505.db2.gz ZPFCXLWOUILTMB-UHFFFAOYSA-N -1 1 286.169 3.025 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1 ZINC000128637286 287315124 /nfs/dbraw/zinc/31/51/24/287315124.db2.gz RUSNVTYHHXCXDE-UHFFFAOYSA-N -1 1 296.779 3.098 20 0 CGADMM Cc1ccc(C)c(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000128602983 287314937 /nfs/dbraw/zinc/31/49/37/287314937.db2.gz AQOFDSXCBFTJSZ-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM Cc1ccc2nc(-c3cccc(C)n3)[n-]c(=O)c2c1 ZINC000340097812 416540631 /nfs/dbraw/zinc/54/06/31/416540631.db2.gz QCXMJNXGLVZMEC-UHFFFAOYSA-N -1 1 251.289 3.014 20 0 CGADMM CC[C@@H]1COC(C)(C)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000403829786 416550495 /nfs/dbraw/zinc/55/04/95/416550495.db2.gz PRIQLUZBMUETDQ-LLVKDONJSA-N -1 1 297.782 3.075 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC(F)(F)C1 ZINC000404736126 416555833 /nfs/dbraw/zinc/55/58/33/416555833.db2.gz LVNAMJUVPRZFOY-UHFFFAOYSA-N -1 1 291.297 3.417 20 0 CGADMM COc1ccc(C(=O)N2C[C@H](C)c3ccccc32)c([O-])c1 ZINC000129998697 287342959 /nfs/dbraw/zinc/34/29/59/287342959.db2.gz QJCLWALBGUCHLF-NSHDSACASA-N -1 1 283.327 3.165 20 0 CGADMM CCOc1cc(C(=O)NC[C@@H](C)C2CC2)cc(Cl)c1[O-] ZINC000680815703 543736304 /nfs/dbraw/zinc/73/63/04/543736304.db2.gz AMNYEPZNZXVFKR-SECBINFHSA-N -1 1 297.782 3.220 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(F)c2)[C@H]1C ZINC000681014735 543756794 /nfs/dbraw/zinc/75/67/94/543756794.db2.gz JWHKKNNXNYBLPD-GBIKHYSHSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(NCCSc1ccccc1)c1ccc([O-])c(F)c1 ZINC000681015735 543756911 /nfs/dbraw/zinc/75/69/11/543756911.db2.gz GLFLSRANQGTCRV-UHFFFAOYSA-N -1 1 291.347 3.053 20 0 CGADMM CCN(CCc1cccs1)C(=O)c1ccc([O-])c(F)c1 ZINC000681019313 543757379 /nfs/dbraw/zinc/75/73/79/543757379.db2.gz WRZRRLVMOHNQPT-UHFFFAOYSA-N -1 1 293.363 3.298 20 0 CGADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc([O-])c(F)c1 ZINC000681020946 543758183 /nfs/dbraw/zinc/75/81/83/543758183.db2.gz NACHPLJSVOLXNG-AWEZNQCLSA-N -1 1 289.281 3.088 20 0 CGADMM C[C@H](CCC(C)(C)C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681048064 543760609 /nfs/dbraw/zinc/76/06/09/543760609.db2.gz OQAKMESTPPQPAQ-SNVBAGLBSA-N -1 1 267.344 3.476 20 0 CGADMM O=C(NCCOC1CCCCCC1)c1ccc([O-])c(F)c1 ZINC000681048093 543760828 /nfs/dbraw/zinc/76/08/28/543760828.db2.gz PMJKDGVTKWIPKH-UHFFFAOYSA-N -1 1 295.354 3.001 20 0 CGADMM CCC(CC)(CC)NC(=O)c1ccc([O-])c(F)c1 ZINC000681051253 543761367 /nfs/dbraw/zinc/76/13/67/543761367.db2.gz WXGGFOAZUGIWPL-UHFFFAOYSA-N -1 1 253.317 3.230 20 0 CGADMM CC(C)c1csc(CNC(=O)c2ccc([O-])c(F)c2)n1 ZINC000681056790 543762244 /nfs/dbraw/zinc/76/22/44/543762244.db2.gz NKIPEIDNUJKYQR-UHFFFAOYSA-N -1 1 294.351 3.041 20 0 CGADMM CC[C@@H](C)n1nc(NC(=O)c2ccc([O-])c(F)c2)cc1C ZINC000681065004 543763214 /nfs/dbraw/zinc/76/32/14/543763214.db2.gz ZNMCJCBFGFKSGA-SECBINFHSA-N -1 1 291.326 3.260 20 0 CGADMM O=C(NC[C@H]1CCc2ccccc2C1)c1c([O-])cccc1F ZINC000681232746 543775351 /nfs/dbraw/zinc/77/53/51/543775351.db2.gz WKCMSDMGASBQRJ-LBPRGKRZSA-N -1 1 299.345 3.066 20 0 CGADMM CC(C)C1(C)CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681756051 543807163 /nfs/dbraw/zinc/80/71/63/543807163.db2.gz XPTQCWNDDWSQIT-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM O=C(N[C@@H]1CCCc2sccc21)c1c([O-])cccc1F ZINC000132070380 287395775 /nfs/dbraw/zinc/39/57/75/287395775.db2.gz GTFWFHAQUNZQMX-LLVKDONJSA-N -1 1 291.347 3.400 20 0 CGADMM CC1CCC(OCC(=O)Nc2c([O-])cccc2F)CC1 ZINC000684470000 544005687 /nfs/dbraw/zinc/00/56/87/544005687.db2.gz IXTUYWFSJIMOIA-UHFFFAOYSA-N -1 1 281.327 3.065 20 0 CGADMM CC(C)N(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000684873891 544035223 /nfs/dbraw/zinc/03/52/23/544035223.db2.gz MZXYDXBOHKCTKR-UHFFFAOYSA-N -1 1 287.281 3.424 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc([C@@H]2Cc3ccccc32)no1 ZINC000132989818 287414977 /nfs/dbraw/zinc/41/49/77/287414977.db2.gz ZTQGAXFYFGLFBD-GFCCVEGCSA-N -1 1 282.274 3.269 20 0 CGADMM O=S(=O)([N-]C1CCCCC1)c1cc2ccccc2o1 ZINC000133857379 287430905 /nfs/dbraw/zinc/43/09/05/287430905.db2.gz IQSVRVPIUKYHNP-UHFFFAOYSA-N -1 1 279.361 3.044 20 0 CGADMM C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000652496795 418976154 /nfs/dbraw/zinc/97/61/54/418976154.db2.gz DSOGEOCEPPPVOQ-UTUOFQBUSA-N -1 1 294.395 3.076 20 0 CGADMM CSc1ccc([O-])c(-c2nc(C3(C)CC3)no2)c1 ZINC000664899368 419023699 /nfs/dbraw/zinc/02/36/99/419023699.db2.gz FWHXSKIQUHMRDR-UHFFFAOYSA-N -1 1 262.334 3.216 20 0 CGADMM C[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc([O-])c(F)c1 ZINC000654671441 418995500 /nfs/dbraw/zinc/99/55/00/418995500.db2.gz VFXJXCBDMDTMQX-BMIGLBTASA-N -1 1 265.328 3.230 20 0 CGADMM O=C([O-])C12CC(C1)CN2Cc1cc(Cl)ccc1Cl ZINC000656759894 419211054 /nfs/dbraw/zinc/21/10/54/419211054.db2.gz JTIVHGAPJTVMGH-UHFFFAOYSA-N -1 1 286.158 3.042 20 0 CGADMM Cc1cc(CN2CCc3ccc(C)cc3C2)oc1C(=O)[O-] ZINC000656758998 419211374 /nfs/dbraw/zinc/21/13/74/419211374.db2.gz SKUQZSQHRAWWJD-UHFFFAOYSA-N -1 1 285.343 3.153 20 0 CGADMM CC[C@@](C)([N-]S(=O)(=O)c1sccc1Cl)C1CC1 ZINC000657178612 419230048 /nfs/dbraw/zinc/23/00/48/419230048.db2.gz YVUDVYQIXVFKRF-LLVKDONJSA-N -1 1 293.841 3.259 20 0 CGADMM CC(C)(C(=O)[O-])c1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000657203212 419230725 /nfs/dbraw/zinc/23/07/25/419230725.db2.gz MJNUPVDEBXDHBN-UHFFFAOYSA-N -1 1 298.264 3.458 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H](OC)C2CCCC2)n1 ZINC000657256603 419238047 /nfs/dbraw/zinc/23/80/47/419238047.db2.gz IEXFXVOFPBZMRA-LBPRGKRZSA-N -1 1 282.409 3.042 20 0 CGADMM O=c1cc(C(F)F)nc(SCCC2CCC2)[n-]1 ZINC000657259335 419238737 /nfs/dbraw/zinc/23/87/37/419238737.db2.gz CYLAHGNHOSWIIL-UHFFFAOYSA-N -1 1 260.309 3.402 20 0 CGADMM CCc1nc(S[C@H](C)C(F)(F)F)[n-]c(=O)c1C ZINC000657263780 419240012 /nfs/dbraw/zinc/24/00/12/419240012.db2.gz IAWILJQTWLZJNJ-ZCFIWIBFSA-N -1 1 266.288 3.096 20 0 CGADMM CC(F)(F)CCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000390300647 262174627 /nfs/dbraw/zinc/17/46/27/262174627.db2.gz NZSVFPJPSWBGQH-UHFFFAOYSA-N -1 1 277.698 3.211 20 0 CGADMM Cc1csc(CNC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000042317333 270032510 /nfs/dbraw/zinc/03/25/10/270032510.db2.gz ALVCACQORIQBCP-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM CCC(CC)NC(=O)c1ccc(Br)cc1[O-] ZINC000044490226 270035460 /nfs/dbraw/zinc/03/54/60/270035460.db2.gz MOVDQOPFUMTESV-UHFFFAOYSA-N -1 1 286.169 3.073 20 0 CGADMM CC1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000044490185 270035582 /nfs/dbraw/zinc/03/55/82/270035582.db2.gz UTJNZZPGKQXJOI-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM C[C@@H]1Cc2ccccc2N(C(=O)c2ccccc2[O-])C1 ZINC000105378750 270047493 /nfs/dbraw/zinc/04/74/93/270047493.db2.gz QTJIEADRYWLXQU-GFCCVEGCSA-N -1 1 267.328 3.231 20 0 CGADMM COc1ccc(C(=O)N2C[C@H](C)Cc3ccccc32)c([O-])c1 ZINC000105378608 270047577 /nfs/dbraw/zinc/04/75/77/270047577.db2.gz KQJBEUSAQNRRSN-GFCCVEGCSA-N -1 1 297.354 3.240 20 0 CGADMM COc1ccc2nc(-c3cc(C)cc(C)c3)[n-]c(=O)c2c1 ZINC000108463655 270050578 /nfs/dbraw/zinc/05/05/78/270050578.db2.gz YSYRZBHTCNKQQX-UHFFFAOYSA-N -1 1 280.327 3.216 20 0 CGADMM O=C([O-])c1occc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000521055795 270100003 /nfs/dbraw/zinc/10/00/03/270100003.db2.gz CRFCWRHHDGTBQA-CQSZACIVSA-N -1 1 289.306 3.454 20 0 CGADMM CC1(C)C[C@H](C(=O)Nc2ccc(F)cc2[O-])C(C)(C)O1 ZINC000528905543 270175739 /nfs/dbraw/zinc/17/57/39/270175739.db2.gz VZHGKRLFWQAQPT-SNVBAGLBSA-N -1 1 281.327 3.064 20 0 CGADMM Cc1ccc(C)c(CC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000531756325 270209441 /nfs/dbraw/zinc/20/94/41/270209441.db2.gz NRFRVZCBVHRMEN-UHFFFAOYSA-N -1 1 273.307 3.329 20 0 CGADMM Cn1cc(CC(=O)Nc2ccc(F)cc2[O-])c2ccccc21 ZINC000532620908 270217885 /nfs/dbraw/zinc/21/78/85/270217885.db2.gz CIAVAFKHQNJEPX-UHFFFAOYSA-N -1 1 298.317 3.204 20 0 CGADMM Cc1ccsc1CN(C)C(=O)c1cc(F)ccc1[O-] ZINC000394921254 288004581 /nfs/dbraw/zinc/00/45/81/288004581.db2.gz MYWZYRSXSHSDGP-UHFFFAOYSA-N -1 1 279.336 3.173 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCS1 ZINC000134348539 288023540 /nfs/dbraw/zinc/02/35/40/288023540.db2.gz PDACFTSKFUKVIE-LLVKDONJSA-N -1 1 287.384 3.123 20 0 CGADMM CC1(C)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000091438893 278256872 /nfs/dbraw/zinc/25/68/72/278256872.db2.gz VFAKUELRLCOPLH-UHFFFAOYSA-N -1 1 269.344 3.418 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1C1CC1 ZINC000377545594 280183510 /nfs/dbraw/zinc/18/35/10/280183510.db2.gz RZERJMQUJRRYMC-GFCCVEGCSA-N -1 1 265.740 3.060 20 0 CGADMM CC[C@H](OC1CCCC1)C(=O)Nc1cccc(F)c1[O-] ZINC000530005985 288281817 /nfs/dbraw/zinc/28/18/17/288281817.db2.gz LKUYGSMDGAVADE-ZDUSSCGKSA-N -1 1 281.327 3.208 20 0 CGADMM C[C@@H]1CC(F)(F)CCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000530173461 288292697 /nfs/dbraw/zinc/29/26/97/288292697.db2.gz PCHWGXSOIBASSF-SECBINFHSA-N -1 1 287.281 3.144 20 0 CGADMM CC[C@]1(C)COCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436711673 281327551 /nfs/dbraw/zinc/32/75/51/281327551.db2.gz JUYZIJPIDNIEBM-GOSISDBHSA-N -1 1 299.370 3.187 20 0 CGADMM Cc1ccc(C)c(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532012607 288349904 /nfs/dbraw/zinc/34/99/04/288349904.db2.gz WEYONADMBZOQEY-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CCc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1C ZINC000380318890 327619106 /nfs/dbraw/zinc/61/91/06/327619106.db2.gz YNFSDXNNSXNTEQ-UHFFFAOYSA-N -1 1 271.316 3.221 20 0 CGADMM Cc1oc([C@H](C)[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1C(=O)[O-] ZINC000568290986 322204064 /nfs/dbraw/zinc/20/40/64/322204064.db2.gz XLZAALKJKXQOLF-PELMWDNLSA-N -1 1 299.317 3.324 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccsc2)n1 ZINC000568534123 322213032 /nfs/dbraw/zinc/21/30/32/322213032.db2.gz VGJHEUFRHPRRDU-UHFFFAOYSA-N -1 1 252.364 3.098 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000570248789 322268836 /nfs/dbraw/zinc/26/88/36/322268836.db2.gz QUBYSCKJWIWODI-ZJUUUORDSA-N -1 1 283.318 3.369 20 0 CGADMM CC(=O)c1[n-]c(=N[C@@H](C)c2cnn(C(C)C)c2)sc1C ZINC000570247217 322268905 /nfs/dbraw/zinc/26/89/05/322268905.db2.gz CIAZTURRHNVMGJ-VIFPVBQESA-N -1 1 292.408 3.027 20 0 CGADMM CC(C)CN(CCC(=O)[O-])Cc1csc(C(C)(C)C)n1 ZINC000570403938 322272760 /nfs/dbraw/zinc/27/27/60/322272760.db2.gz WRBCDYOBALCEKJ-UHFFFAOYSA-N -1 1 298.452 3.373 20 0 CGADMM CCC[C@H](CC)S(=O)(=O)[N-]c1sc(CC)nc1C ZINC000572368100 322333895 /nfs/dbraw/zinc/33/38/95/322333895.db2.gz TXPLKNNFMCWFQH-JTQLQIEISA-N -1 1 290.454 3.334 20 0 CGADMM COc1cccnc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000572457972 322338308 /nfs/dbraw/zinc/33/83/08/322338308.db2.gz SHYUPKNCSYIYOM-UHFFFAOYSA-N -1 1 293.710 3.093 20 0 CGADMM CC1(C)CCC[C@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1=O ZINC000576248146 335177584 /nfs/dbraw/zinc/17/75/84/335177584.db2.gz PDEWPJQYAYSYJD-NSHDSACASA-N -1 1 292.404 3.300 20 0 CGADMM CCc1nc(SCC2CC(F)(F)C2)[n-]c(=O)c1C ZINC000576412366 335201271 /nfs/dbraw/zinc/20/12/71/335201271.db2.gz ZSUTXVRQLCSGDM-UHFFFAOYSA-N -1 1 274.336 3.190 20 0 CGADMM [O-]c1ccc(-c2noc(COc3ccsc3)n2)cc1F ZINC000350614549 335521105 /nfs/dbraw/zinc/52/11/05/335521105.db2.gz VITHGOLYLCWACW-UHFFFAOYSA-N -1 1 292.291 3.222 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccco2)c1 ZINC000182907000 335849803 /nfs/dbraw/zinc/84/98/03/335849803.db2.gz KKPPGWJMOLITOU-UHFFFAOYSA-N -1 1 296.120 3.308 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)C1CCCC1 ZINC000382873899 336098362 /nfs/dbraw/zinc/09/83/62/336098362.db2.gz JPQAGQYTKLRLMQ-CQSZACIVSA-N -1 1 265.328 3.230 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1cccs1 ZINC000581830062 336148936 /nfs/dbraw/zinc/14/89/36/336148936.db2.gz XPDPZGLHNQCCIH-UHFFFAOYSA-N -1 1 279.361 3.234 20 0 CGADMM CCCC[C@H](C(=O)[O-])N1CCc2c3ccccc3[nH]c2C1 ZINC000581889634 336160844 /nfs/dbraw/zinc/16/08/44/336160844.db2.gz FPLZEDZHKHJDNI-MRXNPFEDSA-N -1 1 286.375 3.169 20 0 CGADMM C[C@@H]1CCC[C@@H](C(=O)N=c2cc(-c3cccs3)[n-][nH]2)C1 ZINC000439115832 533723345 /nfs/dbraw/zinc/72/33/45/533723345.db2.gz GAYGIKPMVRUROD-GHMZBOCLSA-N -1 1 289.404 3.325 20 0 CGADMM COc1ccc(CSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000436207250 533732660 /nfs/dbraw/zinc/73/26/60/533732660.db2.gz XBQYQSMGDUFLAU-UHFFFAOYSA-N -1 1 276.361 3.100 20 0 CGADMM Cc1cc(Cl)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000192643383 533786320 /nfs/dbraw/zinc/78/63/20/533786320.db2.gz QBQQREXZLLLDQW-UHFFFAOYSA-N -1 1 277.707 3.312 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)c2c(C)cccc2C)c1 ZINC000436502895 534231640 /nfs/dbraw/zinc/23/16/40/534231640.db2.gz GAXRJTMGZUYXOG-UHFFFAOYSA-N -1 1 299.326 3.048 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C/c3cncs3)n2)c(F)c1 ZINC000436880542 534451450 /nfs/dbraw/zinc/45/14/50/534451450.db2.gz RQOWQKVKSJAKBN-DUXPYHPUSA-N -1 1 289.291 3.208 20 0 CGADMM CCS[C@@H]1CCCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000081959329 521723360 /nfs/dbraw/zinc/72/33/60/521723360.db2.gz QLPDTSMZGZGQFE-GFCCVEGCSA-N -1 1 297.395 3.279 20 0 CGADMM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2cncc([O-])c2)c1 ZINC000111561026 524209172 /nfs/dbraw/zinc/20/91/72/524209172.db2.gz MYIFRQUNYBXFEZ-ZDUSSCGKSA-N -1 1 284.359 3.237 20 0 CGADMM C=Cc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])cc1 ZINC000436505464 527644196 /nfs/dbraw/zinc/64/41/96/527644196.db2.gz OAIBPTUKZBGPNS-UHFFFAOYSA-N -1 1 297.310 3.074 20 0 CGADMM CC(C)CCC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436241156 527695943 /nfs/dbraw/zinc/69/59/43/527695943.db2.gz BSAGHSVLBNXYBC-UHFFFAOYSA-N -1 1 280.393 3.157 20 0 CGADMM CCC[C@H](N=c1nc([C@@H](C)OC)[n-]s1)C1CCCC1 ZINC000413463342 528165824 /nfs/dbraw/zinc/16/58/24/528165824.db2.gz XNWUXNAZOAPEGP-PWSUYJOCSA-N -1 1 283.441 3.438 20 0 CGADMM CCN(CCc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC000436863090 528591842 /nfs/dbraw/zinc/59/18/42/528591842.db2.gz RSDBOQKSECWGAR-UHFFFAOYSA-N -1 1 287.334 3.236 20 0 CGADMM CCN(Cc1ccccc1)C(=O)c1c(F)ccc([O-])c1F ZINC000358100736 528828684 /nfs/dbraw/zinc/82/86/84/528828684.db2.gz PWVSTRJOPKUEMV-UHFFFAOYSA-N -1 1 291.297 3.333 20 0 CGADMM CCCC[C@H](CCC)CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000436947589 528916402 /nfs/dbraw/zinc/91/64/02/528916402.db2.gz ZJLRBFIVINTUKV-ZDUSSCGKSA-N -1 1 291.391 3.298 20 0 CGADMM CCS[C@@H]1CCC[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000436572169 529216176 /nfs/dbraw/zinc/21/61/76/529216176.db2.gz FQMXZJILKXUTPT-NWDGAFQWSA-N -1 1 297.395 3.325 20 0 CGADMM CCSc1cc(C(=O)Nc2ccc(F)cc2[O-])ccn1 ZINC000436805243 529236133 /nfs/dbraw/zinc/23/61/33/529236133.db2.gz DIEGXLCKWHQPNG-UHFFFAOYSA-N -1 1 292.335 3.291 20 0 CGADMM COC(=O)c1c[n-]c(SCCCc2cccc(F)c2)n1 ZINC000191501976 536862566 /nfs/dbraw/zinc/86/25/66/536862566.db2.gz RXYDCPIVZQWRIF-UHFFFAOYSA-N -1 1 294.351 3.060 20 0 CGADMM C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000736839878 572820948 /nfs/dbraw/zinc/82/09/48/572820948.db2.gz HFKZNYAKDXUNKV-CYBMUJFWSA-N -1 1 297.354 3.340 20 0 CGADMM C[C@@H]1c2ccccc2OCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000736839878 572820950 /nfs/dbraw/zinc/82/09/50/572820950.db2.gz HFKZNYAKDXUNKV-CYBMUJFWSA-N -1 1 297.354 3.340 20 0 CGADMM CC(C)(NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000388704501 599850263 /nfs/dbraw/zinc/85/02/63/599850263.db2.gz UJMNXCLVQZWUMA-UHFFFAOYSA-N -1 1 259.305 3.003 20 0 CGADMM O=C([O-])[C@H](NCc1ccccc1Cl)c1ccc(F)cc1 ZINC000074404067 600416489 /nfs/dbraw/zinc/41/64/89/600416489.db2.gz BUYLBEMWDQTMCM-CQSZACIVSA-N -1 1 293.725 3.395 20 0 CGADMM O=C([O-])[C@H](c1ccccc1F)N1CC[C@@H](c2ccco2)C1 ZINC000833173258 601008260 /nfs/dbraw/zinc/00/82/60/601008260.db2.gz PUJOVPNUKDRVKX-ABAIWWIYSA-N -1 1 289.306 3.034 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])s1)Cc1ccc(F)c(F)c1 ZINC000830825133 601941327 /nfs/dbraw/zinc/94/13/27/601941327.db2.gz BTOUZHRXCCINQO-UHFFFAOYSA-N -1 1 297.326 3.357 20 0 CGADMM Cc1cccc2c1CCN(Cc1ccc(C(=O)[O-])s1)C2 ZINC000832973488 601951026 /nfs/dbraw/zinc/95/10/26/601951026.db2.gz BGYUHFLLRHGMFQ-UHFFFAOYSA-N -1 1 287.384 3.313 20 0 CGADMM Cc1csc(C(C)(C)NCc2ccc(C(=O)[O-])s2)n1 ZINC000832988736 601958632 /nfs/dbraw/zinc/95/86/32/601958632.db2.gz FJWUOBAJUPSQOS-UHFFFAOYSA-N -1 1 296.417 3.236 20 0 CGADMM Cc1ccc(SCc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC000826293612 607540927 /nfs/dbraw/zinc/54/09/27/607540927.db2.gz WCADRBJKFCZOPE-UHFFFAOYSA-N -1 1 297.387 3.171 20 0 CGADMM Cc1ccc(SCc2ccnc(-c3nn[n-]n3)c2)cc1C ZINC000826293612 607540928 /nfs/dbraw/zinc/54/09/28/607540928.db2.gz WCADRBJKFCZOPE-UHFFFAOYSA-N -1 1 297.387 3.171 20 0 CGADMM Cc1[n-]n(-c2ccc(F)cc2Cl)c(=O)c1C1CC1 ZINC000899361999 620667863 /nfs/dbraw/zinc/66/78/63/620667863.db2.gz GYODEKCULHWAEM-GFCCVEGCSA-N -1 1 266.703 3.228 20 0 CGADMM O=C([O-])[C@@H]1CCCN1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000263396835 604529858 /nfs/dbraw/zinc/52/98/58/604529858.db2.gz GYDRVKHHZDXTNK-AWEZNQCLSA-N -1 1 289.306 3.135 20 0 CGADMM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccccc1Cl ZINC000827716798 604985590 /nfs/dbraw/zinc/98/55/90/604985590.db2.gz BCEOWEKACSCLLM-IINYFYTJSA-N -1 1 290.750 3.212 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1cccc(O)c1 ZINC000833680781 605122132 /nfs/dbraw/zinc/12/21/32/605122132.db2.gz NVVNFMPAURSQGW-SNVBAGLBSA-N -1 1 289.331 3.097 20 0 CGADMM CCCN(C/C(Cl)=C\Cl)C1CCN(C(=O)[O-])CC1 ZINC000826904364 605480675 /nfs/dbraw/zinc/48/06/75/605480675.db2.gz RRIMKJGPILMWGF-CSKARUKUSA-N -1 1 295.210 3.160 20 0 CGADMM CC1(C)CN(Cc2cc(C(=O)[O-])ccc2Cl)CCCO1 ZINC000833561514 605835626 /nfs/dbraw/zinc/83/56/26/605835626.db2.gz MBSYYZQSRBFLFD-UHFFFAOYSA-N -1 1 297.782 3.039 20 0 CGADMM Cc1ccc(Cl)cc1Oc1ncccc1-c1nn[n-]n1 ZINC000822239881 606432788 /nfs/dbraw/zinc/43/27/88/606432788.db2.gz IZNLQKQYZIANLJ-UHFFFAOYSA-N -1 1 287.710 3.016 20 0 CGADMM Cc1ccc(Cl)c(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000826288720 608450267 /nfs/dbraw/zinc/45/02/67/608450267.db2.gz UEBYZQGODYTPQB-UHFFFAOYSA-N -1 1 289.726 3.034 20 0 CGADMM Cc1ccc(Cl)c(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000826288720 608450268 /nfs/dbraw/zinc/45/02/68/608450268.db2.gz UEBYZQGODYTPQB-UHFFFAOYSA-N -1 1 289.726 3.034 20 0 CGADMM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000824985133 609173572 /nfs/dbraw/zinc/17/35/72/609173572.db2.gz RWWINUDJCLHBRP-SNVBAGLBSA-N -1 1 297.387 3.052 20 0 CGADMM CCO[N-]C(=O)[C@@H](CC)c1ccc(Br)cc1 ZINC000858261697 617614516 /nfs/dbraw/zinc/61/45/16/617614516.db2.gz ACCIWPJGSLEVLK-NSHDSACASA-N -1 1 286.169 3.010 20 0 CGADMM CC[C@H]1CCCC[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858345959 617617661 /nfs/dbraw/zinc/61/76/61/617617661.db2.gz DGNXEXIGFPKUTA-IUCAKERBSA-N -1 1 255.749 3.216 20 0 CGADMM O=C([N-]Cc1cccc2ccccc21)C(F)(F)F ZINC000078221213 618221121 /nfs/dbraw/zinc/22/11/21/618221121.db2.gz WKEFNTMSBLSDRA-UHFFFAOYSA-N -1 1 253.223 3.018 20 0 CGADMM O=C([N-]c1ccccc1SC(F)F)c1csnn1 ZINC000121810019 618632057 /nfs/dbraw/zinc/63/20/57/618632057.db2.gz MKIGTKONZFIMGR-UHFFFAOYSA-N -1 1 287.316 3.105 20 0 CGADMM Cc1cc(Cl)ccc1C=C1SC(=S)[N-]C1=O ZINC000163335175 618887455 /nfs/dbraw/zinc/88/74/55/618887455.db2.gz UHPUOMXIQLSEJH-WEVVVXLNSA-N -1 1 269.778 3.137 20 0 CGADMM Cc1cc(C)nc([N-]S(=O)(=O)/C=C/c2ccccc2)c1 ZINC000162375620 619077072 /nfs/dbraw/zinc/07/70/72/619077072.db2.gz VXVCQWYNQDAASW-CMDGGOBGSA-N -1 1 288.372 3.111 20 0 CGADMM O=C(NC[C@H]1CC=CCC1)c1c([O-])cccc1Cl ZINC000049295078 619726683 /nfs/dbraw/zinc/72/66/83/619726683.db2.gz YUCVUXXTCCVGJO-JTQLQIEISA-N -1 1 265.740 3.132 20 0 CGADMM CC1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000895439035 619829300 /nfs/dbraw/zinc/82/93/00/619829300.db2.gz TYPIMBCASMRTPF-UHFFFAOYSA-N -1 1 285.343 3.123 20 0 CGADMM CCN(CC(C)C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895665938 619868194 /nfs/dbraw/zinc/86/81/94/619868194.db2.gz TWRNBBWPLUOUTN-UHFFFAOYSA-N -1 1 287.359 3.369 20 0 CGADMM CC[C@@H](CC(=O)[N-]OCc1ccccn1)c1ccccc1 ZINC000909529140 619896446 /nfs/dbraw/zinc/89/64/46/619896446.db2.gz BVQKUPFPSWUGKY-AWEZNQCLSA-N -1 1 284.359 3.213 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@H]1C1CC1 ZINC000896149339 619957770 /nfs/dbraw/zinc/95/77/70/619957770.db2.gz NMEOSGSNVHCNAA-INIZCTEOSA-N -1 1 297.354 3.266 20 0 CGADMM O=c1nc(N[C@@H]2CCSC3(CCC3)C2)cc(Cl)[n-]1 ZINC000896249525 619981292 /nfs/dbraw/zinc/98/12/92/619981292.db2.gz ZHUIBDHIFQYYAZ-MRVPVSSYSA-N -1 1 285.800 3.066 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000896310909 619991602 /nfs/dbraw/zinc/99/16/02/619991602.db2.gz IEXLHFPLTQBQJS-DMDPSCGWSA-N -1 1 294.782 3.033 20 0 CGADMM C[C@H]1C[C@H](C)N(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896520518 620020782 /nfs/dbraw/zinc/02/07/82/620020782.db2.gz FHMJRNDRIOTFIA-QWRGUYRKSA-N -1 1 285.343 3.122 20 0 CGADMM C[C@@H]1CC[C@H](C)N1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000901027545 620827210 /nfs/dbraw/zinc/82/72/10/620827210.db2.gz VBZBRUNKHGKSRH-AOOOYVTPSA-N -1 1 288.322 3.093 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2snnc2C)n1 ZINC000901381957 620869638 /nfs/dbraw/zinc/86/96/38/620869638.db2.gz SYPKBYRYMHRWMO-QMMMGPOBSA-N -1 1 296.421 3.148 20 0 CGADMM O=C([O-])CC1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000901418488 620882037 /nfs/dbraw/zinc/88/20/37/620882037.db2.gz GWMQQASAIMSKEM-UHFFFAOYSA-N -1 1 294.420 3.097 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])no1)[C@H](C)c1ccc(F)cc1 ZINC000901429002 620885743 /nfs/dbraw/zinc/88/57/43/620885743.db2.gz PQDBZXZOYZYZNX-SNVBAGLBSA-N -1 1 292.310 3.095 20 0 CGADMM CC1(C)CCc2cc(C=C3SC(=O)[N-]C3=O)ccc2O1 ZINC000901555681 620927009 /nfs/dbraw/zinc/92/70/09/620927009.db2.gz YEOKFDSMONJKPB-XYOKQWHBSA-N -1 1 289.356 3.114 20 0 CGADMM CC(C)(C)c1cnc(CN2CCC[C@](C)(C(=O)[O-])C2)s1 ZINC000901701372 620993299 /nfs/dbraw/zinc/99/32/99/620993299.db2.gz YYLMIVHPUFFMOS-HNNXBMFYSA-N -1 1 296.436 3.127 20 0 CGADMM Cc1oc(CN[C@H]2CCc3cc(F)ccc32)cc1C(=O)[O-] ZINC000902173560 621184516 /nfs/dbraw/zinc/18/45/16/621184516.db2.gz VSOLWVVFNVQEMX-HNNXBMFYSA-N -1 1 289.306 3.202 20 0 CGADMM Cc1cccc2c1CCC[C@@H]2NCc1cc(C(=O)[O-])co1 ZINC000902467465 621339639 /nfs/dbraw/zinc/33/96/39/621339639.db2.gz XMUIOPUNNPJDDG-INIZCTEOSA-N -1 1 285.343 3.453 20 0 CGADMM O=C([O-])c1ccc(Cl)c(CN2CCC[C@H](CF)C2)c1 ZINC000903607602 621771537 /nfs/dbraw/zinc/77/15/37/621771537.db2.gz LOSAELZDCSXUFU-SNVBAGLBSA-N -1 1 285.746 3.220 20 0 CGADMM CC1(C)CCCN1Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903890834 621823761 /nfs/dbraw/zinc/82/37/61/621823761.db2.gz GFEAIQGRIDCFQV-UHFFFAOYSA-N -1 1 291.269 3.371 20 0 CGADMM O=C([O-])Cc1ccccc1CN(Cc1ccoc1)C1CC1 ZINC000903946173 621839871 /nfs/dbraw/zinc/83/98/71/621839871.db2.gz BGCSEMCJHJGBLW-UHFFFAOYSA-N -1 1 285.343 3.071 20 0 CGADMM CCCOc1cccc(C=Cc2ncc(OC)c(=O)[n-]2)c1 ZINC000905077082 622037616 /nfs/dbraw/zinc/03/76/16/622037616.db2.gz QYXZEXLYJATSRU-BQYQJAHWSA-N -1 1 286.331 3.150 20 0 CGADMM CC(C)=CCN[C@H](C(=O)[O-])c1ccccc1Br ZINC000905400166 622066903 /nfs/dbraw/zinc/06/69/03/622066903.db2.gz IUFQSNJRCLQLLC-LBPRGKRZSA-N -1 1 298.180 3.131 20 0 CGADMM CC(C)(C)c1ccc(CNCc2ccc(C(=O)[O-])cn2)cc1 ZINC000905719357 622098706 /nfs/dbraw/zinc/09/87/06/622098706.db2.gz QGCFXNULUQNEHH-UHFFFAOYSA-N -1 1 298.386 3.367 20 0 CGADMM CC1(C)C[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908708789 622368834 /nfs/dbraw/zinc/36/88/34/622368834.db2.gz AUJBMOMUYQTULX-SSDOTTSWSA-N -1 1 284.153 3.139 20 0 CGADMM C/C(=C(/F)C(=O)Nc1cc([O-])c(F)cc1F)C1CC1 ZINC000909973384 622440076 /nfs/dbraw/zinc/44/00/76/622440076.db2.gz YIPBZPDTAFHJCY-SDQBBNPISA-N -1 1 271.238 3.262 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909985376 622442096 /nfs/dbraw/zinc/44/20/96/622442096.db2.gz JHYNYPBCSBPRQA-HTQZYQBOSA-N -1 1 255.264 3.045 20 0 CGADMM CC(C)(C(=O)Nc1cc([O-])c(F)cc1F)C1CC1 ZINC000909987339 622442674 /nfs/dbraw/zinc/44/26/74/622442674.db2.gz QLCNAWHFHNPWSE-UHFFFAOYSA-N -1 1 255.264 3.045 20 0 CGADMM Cc1nc(C(C)C)oc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987550 622443426 /nfs/dbraw/zinc/44/34/26/622443426.db2.gz YDWRUCPQNJSAJG-UHFFFAOYSA-N -1 1 296.273 3.343 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C1(C(F)F)CCCC1 ZINC000909986821 622443547 /nfs/dbraw/zinc/44/35/47/622443547.db2.gz CSMCMBQIAQUSIV-UHFFFAOYSA-N -1 1 291.244 3.434 20 0 CGADMM C[C@@H]1CCCC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988055 622445050 /nfs/dbraw/zinc/44/50/50/622445050.db2.gz SLWKTQWRXSRDEK-RKDXNWHRSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@H]1CC[C@H](C(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC000909988688 622446300 /nfs/dbraw/zinc/44/63/00/622446300.db2.gz WNKPQBJMJIEDOO-KYZUINATSA-N -1 1 269.291 3.435 20 0 CGADMM Cc1nn(C(C)C)cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988318 622446949 /nfs/dbraw/zinc/44/69/49/622446949.db2.gz FRQZFEJCUXGRDU-UHFFFAOYSA-N -1 1 295.289 3.009 20 0 CGADMM Cc1nc(C2CC2)oc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984211 622513626 /nfs/dbraw/zinc/51/36/26/622513626.db2.gz UGNKWVUIXJERGA-UHFFFAOYSA-N -1 1 294.257 3.097 20 0 CGADMM CC1(C)CC[C@@H](CC(=O)Nc2cc(F)cc(F)c2[O-])OC1 ZINC000910991261 622514032 /nfs/dbraw/zinc/51/40/32/622514032.db2.gz NZRCJEZOEZZXJV-JTQLQIEISA-N -1 1 299.317 3.204 20 0 CGADMM CC(C(=O)Nc1cc(F)cc(F)c1[O-])=C1CCC1 ZINC000910989360 622514098 /nfs/dbraw/zinc/51/40/98/622514098.db2.gz WIQVRQXQMHIFHR-UHFFFAOYSA-N -1 1 253.248 3.109 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCOC2(CCCC2)C1 ZINC000913159307 622734202 /nfs/dbraw/zinc/73/42/02/622734202.db2.gz QQALOFOMYNNEOE-NSHDSACASA-N -1 1 293.338 3.209 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC=CC12CCCC2 ZINC000913202788 622737361 /nfs/dbraw/zinc/73/73/61/622737361.db2.gz KCZSOARZWFSVSK-UHFFFAOYSA-N -1 1 277.751 3.370 20 0 CGADMM O=C([O-])c1coc(CN[C@@H]2CCCc3sccc32)c1 ZINC000228171703 623046040 /nfs/dbraw/zinc/04/60/40/623046040.db2.gz NTSPAPAMMLHEGF-GFCCVEGCSA-N -1 1 277.345 3.207 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2ccc(F)cc2C(F)(F)F)S1 ZINC000231486903 623326819 /nfs/dbraw/zinc/32/68/19/623326819.db2.gz FZVUNMOVPIYVHQ-BAQGIRSFSA-N -1 1 291.225 3.168 20 0 CGADMM Cc1cc(CNC(C)(C)c2ccccc2)oc1C(=O)[O-] ZINC000312207472 623492006 /nfs/dbraw/zinc/49/20/06/623492006.db2.gz BLUVKCAQPJRTEX-UHFFFAOYSA-N -1 1 273.332 3.311 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)cc1 ZINC000152990621 623759315 /nfs/dbraw/zinc/75/93/15/623759315.db2.gz GLDJRDZIVWACAI-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM C[C@@]1(c2nc(-c3ccc([O-])cc3F)no2)C=CCC1 ZINC000924004597 623864476 /nfs/dbraw/zinc/86/44/76/623864476.db2.gz IBAJGYKRDITYJL-CQSZACIVSA-N -1 1 260.268 3.189 20 0 CGADMM CCN(Cc1cccc(Cl)c1[O-])C[C@@H](C)C#N ZINC000179773005 624683200 /nfs/dbraw/zinc/68/32/00/624683200.db2.gz CYHYZLYPGYHRFR-JTQLQIEISA-N -1 1 252.745 3.027 20 0 CGADMM CCOCCCCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000866974847 625753659 /nfs/dbraw/zinc/75/36/59/625753659.db2.gz STJKLARZYGDJKO-UHFFFAOYSA-N -1 1 294.326 3.331 20 0 CGADMM Cc1ccc(O)c(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000085204521 625802516 /nfs/dbraw/zinc/80/25/16/625802516.db2.gz IGZGBZGIYKHBDW-UHFFFAOYSA-N -1 1 277.707 3.312 20 0 CGADMM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000923471019 626155921 /nfs/dbraw/zinc/15/59/21/626155921.db2.gz SVXVPFNRQUXLQF-INIZCTEOSA-N -1 1 294.395 3.049 20 0 CGADMM CCCCCCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000755689625 626636976 /nfs/dbraw/zinc/63/69/76/626636976.db2.gz ADOAQDAQLDIQBM-UHFFFAOYSA-N -1 1 285.771 3.364 20 0 CGADMM CC(C)CC1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000761602875 627052982 /nfs/dbraw/zinc/05/29/82/627052982.db2.gz NQCXAUMVHSQXKH-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM CC[C@H](CC(=O)[N-]OCC(F)(F)F)c1ccc(C)cc1 ZINC000766763264 627358535 /nfs/dbraw/zinc/35/85/35/627358535.db2.gz DKUDKBSTGIHHRB-LLVKDONJSA-N -1 1 289.297 3.489 20 0 CGADMM O=C(C[C@H]1CCCc2ccccc21)[N-]OCC(F)(F)F ZINC000766785561 627360658 /nfs/dbraw/zinc/36/06/58/627360658.db2.gz TYAQDMPMPAGIPX-LLVKDONJSA-N -1 1 287.281 3.107 20 0 CGADMM Cc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1N(C)C ZINC000769684147 627572657 /nfs/dbraw/zinc/57/26/57/627572657.db2.gz DNBPXXHPRXYIRD-UHFFFAOYSA-N -1 1 288.322 3.158 20 0 CGADMM C[C@@H](C1CC1)N(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000769687170 627573010 /nfs/dbraw/zinc/57/30/10/627573010.db2.gz GWFOKBVTSORTHU-VIFPVBQESA-N -1 1 279.767 3.449 20 0 CGADMM C[C@@H]1[C@H](C)SCCN1C(=O)c1c([O-])cccc1Cl ZINC000769880442 627586513 /nfs/dbraw/zinc/58/65/13/627586513.db2.gz DZOJEKQBEHALGD-BDAKNGLRSA-N -1 1 285.796 3.012 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H]2CCC[C@H]21 ZINC000769921159 627589951 /nfs/dbraw/zinc/58/99/51/627589951.db2.gz KMUWFXOLZCSWML-ZYHUDNBSSA-N -1 1 279.767 3.450 20 0 CGADMM C[C@H](N(C)C(=O)c1c([O-])cccc1Cl)C1(C)CC1 ZINC000769960865 627593312 /nfs/dbraw/zinc/59/33/12/627593312.db2.gz GKDJDYDWSRNAMU-VIFPVBQESA-N -1 1 267.756 3.306 20 0 CGADMM O=C(N[C@@H]1CC2CCC1CC2)c1c([O-])cccc1Cl ZINC000770031572 627599203 /nfs/dbraw/zinc/59/92/03/627599203.db2.gz DEXGKJGHVUCNHQ-RTYFJBAXSA-N -1 1 279.767 3.354 20 0 CGADMM O=C(/C=C\c1ccc(Cl)nc1)Nc1c([O-])cccc1F ZINC000770860162 627649107 /nfs/dbraw/zinc/64/91/07/627649107.db2.gz AZQKHEXXMZHCNQ-ALCCZGGFSA-N -1 1 292.697 3.232 20 0 CGADMM Cc1ccncc1[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000771385291 627705291 /nfs/dbraw/zinc/70/52/91/627705291.db2.gz VCDQOUNBJCLOEK-JTQLQIEISA-N -1 1 290.750 3.240 20 0 CGADMM O=C([N-]C1(C(F)(F)F)CCC1)C(F)(F)c1ccccc1 ZINC000771713790 627727980 /nfs/dbraw/zinc/72/79/80/627727980.db2.gz QTPXJBGYNLQWIQ-UHFFFAOYSA-N -1 1 293.235 3.380 20 0 CGADMM CC(C)[C@H](NC(=O)c1c([O-])cccc1F)c1ccccn1 ZINC000772080791 627761588 /nfs/dbraw/zinc/76/15/88/627761588.db2.gz IFXKXFBGIBBZKH-HNNXBMFYSA-N -1 1 288.322 3.053 20 0 CGADMM COc1ccc(COC(=O)c2ccc([O-])cc2F)cc1F ZINC000773567914 627898168 /nfs/dbraw/zinc/89/81/68/627898168.db2.gz ZCFUYMLJJBOIBH-UHFFFAOYSA-N -1 1 294.253 3.036 20 0 CGADMM CC[C@@H](C)N(OC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776490252 628214226 /nfs/dbraw/zinc/21/42/26/628214226.db2.gz VCVBYXGAQBPQAY-MRVPVSSYSA-N -1 1 291.269 3.213 20 0 CGADMM Cc1cccc([C@H](C)C(=O)[N-]OC2CCCCC2)c1 ZINC000777963671 628315855 /nfs/dbraw/zinc/31/58/55/628315855.db2.gz KSONNNIRGDEDOY-ZDUSSCGKSA-N -1 1 261.365 3.479 20 0 CGADMM Cc1cnc(C(=O)Nc2ccc(Cl)cc2[O-])c(C)c1 ZINC000780670085 628508441 /nfs/dbraw/zinc/50/84/41/628508441.db2.gz JBCRUAPYWJUCMD-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM Cc1[nH]nc2ccc(-c3cc(C=O)cc(C(=O)[O-])c3)cc12 ZINC000874969077 634661273 /nfs/dbraw/zinc/66/12/73/634661273.db2.gz BIQYEXOSYPLVEA-UHFFFAOYSA-N -1 1 280.283 3.049 20 0 CGADMM O=S(=O)([N-]C12CCC(CC1)C2)c1cc2ccccc2o1 ZINC000784419135 628813328 /nfs/dbraw/zinc/81/33/28/628813328.db2.gz YSKUROLBFBKXKG-UHFFFAOYSA-N -1 1 291.372 3.044 20 0 CGADMM COc1cccc([C@@H](C)OC(=O)c2ccc([O-])cc2F)c1 ZINC000784518695 628818984 /nfs/dbraw/zinc/81/89/84/628818984.db2.gz RQIGYRLKSKWJPU-SNVBAGLBSA-N -1 1 290.290 3.458 20 0 CGADMM O=C(CCc1ccc(F)cc1)Nc1nc(Cl)ccc1[O-] ZINC000789929993 629174368 /nfs/dbraw/zinc/17/43/68/629174368.db2.gz LMAAJACOOBHHFF-UHFFFAOYSA-N -1 1 294.713 3.151 20 0 CGADMM Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1F ZINC000789929972 629174788 /nfs/dbraw/zinc/17/47/88/629174788.db2.gz JUTQIBFKQGLZBO-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM Cc1ccc([C@H](C)C(=O)Nc2nc(Cl)ccc2[O-])o1 ZINC000790052515 629180614 /nfs/dbraw/zinc/18/06/14/629180614.db2.gz XUVXXUVZILRAFZ-QMMMGPOBSA-N -1 1 280.711 3.084 20 0 CGADMM C/C(=C\C(=O)Nc1nc(Cl)ccc1[O-])C(C)(C)C ZINC000790057521 629181172 /nfs/dbraw/zinc/18/11/72/629181172.db2.gz YIBLVNMSQWNNQX-BQYQJAHWSA-N -1 1 268.744 3.372 20 0 CGADMM CCN(CC1CCC1)C(=O)c1c([O-])cccc1Cl ZINC000794285321 629529871 /nfs/dbraw/zinc/52/98/71/629529871.db2.gz VBVOHWYRARVDBN-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM CCc1ccc([C@@H](C)C(=O)[N-]OC[C@H](C)CC)cc1 ZINC000794872853 629592821 /nfs/dbraw/zinc/59/28/21/629592821.db2.gz XNXLXPLCHRPAFM-CHWSQXEVSA-N -1 1 263.381 3.446 20 0 CGADMM O=C([O-])CCc1cccc(CNCc2ccc(Cl)o2)c1 ZINC000864518707 629852830 /nfs/dbraw/zinc/85/28/30/629852830.db2.gz RPHMIDACZDLLNW-UHFFFAOYSA-N -1 1 293.750 3.240 20 0 CGADMM Cc1ccc(N(C(=O)c2cncc([O-])c2)C2CCC2)cc1 ZINC000923646278 634812081 /nfs/dbraw/zinc/81/20/81/634812081.db2.gz QTVZCUTUJMPBLN-UHFFFAOYSA-N -1 1 282.343 3.295 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCCC2CC2)c1 ZINC000812601425 631279964 /nfs/dbraw/zinc/27/99/64/631279964.db2.gz YUVYOMQYSPTRJX-UHFFFAOYSA-N -1 1 290.359 3.261 20 0 CGADMM CC/C(C)=C(\C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000837085391 634852103 /nfs/dbraw/zinc/85/21/03/634852103.db2.gz BCLQRYZGGMQVQL-BQYQJAHWSA-N -1 1 255.264 3.355 20 0 CGADMM [O-]c1cccc(CNc2ccnn2CC2CC2)c1Cl ZINC000815129821 631724922 /nfs/dbraw/zinc/72/49/22/631724922.db2.gz YMTFLMPAOFBLOY-UHFFFAOYSA-N -1 1 277.755 3.264 20 0 CGADMM C[C@@H]1CC[C@H](OC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000815200207 631740290 /nfs/dbraw/zinc/74/02/90/631740290.db2.gz JGQMZZKCLMHNHA-APPZFPTMSA-N -1 1 256.248 3.016 20 0 CGADMM CC(C)(CC(=O)Nc1nc(Cl)ccc1[O-])C1CC1 ZINC000816426349 631969095 /nfs/dbraw/zinc/96/90/95/631969095.db2.gz FMIBMCFADZYDCU-UHFFFAOYSA-N -1 1 268.744 3.205 20 0 CGADMM CC[C@H](C)[C@H](C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000819967209 632552088 /nfs/dbraw/zinc/55/20/88/632552088.db2.gz CRLXHDCOXPIFMI-UWVGGRQHSA-N -1 1 276.336 3.073 20 0 CGADMM COc1cnc(C=CC(C)=Cc2ccccc2)[n-]c1=O ZINC000821009276 632711284 /nfs/dbraw/zinc/71/12/84/632711284.db2.gz YRELRASXQDATGX-ZLNDROGTSA-N -1 1 268.316 3.308 20 0 CGADMM COc1cnc(C=Cc2cnc(C(C)(C)C)s2)[n-]c1=O ZINC000821009367 632711553 /nfs/dbraw/zinc/71/15/53/632711553.db2.gz ZSSAAGKHPAXHSC-WAYWQWQTSA-N -1 1 291.376 3.115 20 0 CGADMM COc1cnc(C=Cc2cccc(OC(C)C)c2)[n-]c1=O ZINC000821008399 632711689 /nfs/dbraw/zinc/71/16/89/632711689.db2.gz PKPDKPKICYDDQR-FPLPWBNLSA-N -1 1 286.331 3.148 20 0 CGADMM CC(C)[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)CCO1 ZINC000821980293 632851590 /nfs/dbraw/zinc/85/15/90/632851590.db2.gz MRVWFXXEGSVDNA-JOYOIKCWSA-N -1 1 299.317 3.060 20 0 CGADMM C[C@@H](CNC(=O)Cc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000865892687 632943071 /nfs/dbraw/zinc/94/30/71/632943071.db2.gz HNVISSMZNFXZEE-JTQLQIEISA-N -1 1 283.799 3.387 20 0 CGADMM COC1(C(=O)Nc2cc([O-])c(F)cc2F)CCCCCC1 ZINC000822543210 632966758 /nfs/dbraw/zinc/96/67/58/632966758.db2.gz QBMAPEZPDISJGC-UHFFFAOYSA-N -1 1 299.317 3.348 20 0 CGADMM COC1(C(=O)Nc2cccc(F)c2[O-])CCCCCC1 ZINC000827447493 633491386 /nfs/dbraw/zinc/49/13/86/633491386.db2.gz FIAZDDZFIPGVPO-UHFFFAOYSA-N -1 1 281.327 3.209 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)OCCCCCF ZINC000869735296 633502311 /nfs/dbraw/zinc/50/23/11/633502311.db2.gz RDTJOWJICXEAQA-UHFFFAOYSA-N -1 1 274.719 3.271 20 0 CGADMM [O-]c1ccc(CNC(=S)NC2CCCCC2)cc1Cl ZINC000871684315 633823713 /nfs/dbraw/zinc/82/37/13/633823713.db2.gz UBJIZWDVFYEHPE-UHFFFAOYSA-N -1 1 298.839 3.342 20 0 CGADMM CC(C)OC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCC1 ZINC000871843260 633888497 /nfs/dbraw/zinc/88/84/97/633888497.db2.gz NQXGRHJSPFWKKI-UHFFFAOYSA-N -1 1 292.310 3.386 20 0 CGADMM Cc1cc(Cl)ccc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000871944936 633922909 /nfs/dbraw/zinc/92/29/09/633922909.db2.gz UMYPYNWLQCEIMI-ISVAXAHUSA-N -1 1 262.740 3.397 20 0 CGADMM CC1(C)CCc2c([n-]n(Cc3ccc(F)c(F)c3)c2=O)C1 ZINC000871945697 633923118 /nfs/dbraw/zinc/92/31/18/633923118.db2.gz WJWZBWXJUSYQDR-LLVKDONJSA-N -1 1 292.329 3.489 20 0 CGADMM CCc1[n-]n([C@@H](Cc2ccccc2)C(C)C)c(=O)c1F ZINC000871957230 633927187 /nfs/dbraw/zinc/92/71/87/633927187.db2.gz AZRPEGKRGCWMAV-LSDHHAIUSA-N -1 1 276.355 3.200 20 0 CGADMM CCc1c(C)[n-]n(-c2cc(Cl)ccc2F)c1=O ZINC000871963833 633930831 /nfs/dbraw/zinc/93/08/31/633930831.db2.gz SZFAWPIPZDHIKU-VIFPVBQESA-N -1 1 254.692 3.228 20 0 CGADMM CCc1c(=O)n([C@H]2CCOC3(CCCC3)C2)[n-]c1C(C)C ZINC000871964723 633931655 /nfs/dbraw/zinc/93/16/55/633931655.db2.gz XXBCBEGNDLGACG-UONOGXRCSA-N -1 1 292.423 3.359 20 0 CGADMM C[C@H]1CN(Cc2occc2C(=O)[O-])Cc2ccccc21 ZINC000872166750 634074330 /nfs/dbraw/zinc/07/43/30/634074330.db2.gz PTGVIDHNILRKIN-NSHDSACASA-N -1 1 271.316 3.097 20 0 CGADMM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833549428 634122573 /nfs/dbraw/zinc/12/25/73/634122573.db2.gz YIQMWJKUXNBESG-VIFPVBQESA-N -1 1 294.301 3.184 20 0 CGADMM CCCc1nsc(NCc2ccc([O-])c(Cl)c2)n1 ZINC000872726616 634197321 /nfs/dbraw/zinc/19/73/21/634197321.db2.gz STGCLNOIIKOMHB-UHFFFAOYSA-N -1 1 283.784 3.462 20 0 CGADMM C[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)CCS1 ZINC000834660051 634211016 /nfs/dbraw/zinc/21/10/16/634211016.db2.gz IFJLPVMTRFJWRG-RKDXNWHRSA-N -1 1 285.796 3.060 20 0 CGADMM C[C@@H](CC(=O)NCc1ccc([O-])c(Cl)c1)c1ccco1 ZINC000834818580 634246939 /nfs/dbraw/zinc/24/69/39/634246939.db2.gz NMOTZKCUASYFLK-JTQLQIEISA-N -1 1 293.750 3.449 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000834822022 634248386 /nfs/dbraw/zinc/24/83/86/634248386.db2.gz JGYDGHDDUSWAKP-UTUOFQBUSA-N -1 1 279.767 3.098 20 0 CGADMM CC[C@H]1CCC[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821796 634248415 /nfs/dbraw/zinc/24/84/15/634248415.db2.gz GXTDHJCIVHBZBA-RYUDHWBXSA-N -1 1 281.783 3.488 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)C12CCC(CC1)C2 ZINC000834826044 634249041 /nfs/dbraw/zinc/24/90/41/634249041.db2.gz QAYQEATUXHECDR-UHFFFAOYSA-N -1 1 279.767 3.242 20 0 CGADMM CC(C)c1ocnc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834828866 634249637 /nfs/dbraw/zinc/24/96/37/634249637.db2.gz BVZXTFNCSQXUIS-UHFFFAOYSA-N -1 1 294.738 3.087 20 0 CGADMM CC(=O)CC(C)(C)CC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834827183 634249781 /nfs/dbraw/zinc/24/97/81/634249781.db2.gz YCCJNFWYUKTEAH-UHFFFAOYSA-N -1 1 297.782 3.057 20 0 CGADMM Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(F)cc1[O-] ZINC000879182498 635721831 /nfs/dbraw/zinc/72/18/31/635721831.db2.gz BABRWYLJWDKYGW-UHFFFAOYSA-N -1 1 289.310 3.005 20 0 CGADMM CCc1nc(SCC(F)(F)C(F)F)[n-]c(=O)c1C ZINC000849921488 636909106 /nfs/dbraw/zinc/90/91/06/636909106.db2.gz OIMSOYRIKNEOJE-UHFFFAOYSA-N -1 1 284.278 3.046 20 0 CGADMM CSCC[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000134799585 637038055 /nfs/dbraw/zinc/03/80/55/637038055.db2.gz KAHDYENSPPBWHB-LLVKDONJSA-N -1 1 289.400 3.417 20 0 CGADMM CCCc1[n-]n(-c2ccnc3cccnc32)c(=O)c1CC ZINC000887294814 637791251 /nfs/dbraw/zinc/79/12/51/637791251.db2.gz NABBGSMEIOYIIX-LLVKDONJSA-N -1 1 282.347 3.159 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccnc1Cl ZINC000111665949 637942156 /nfs/dbraw/zinc/94/21/56/637942156.db2.gz MKZFDCOOSSWVSW-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM CSC[C@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675774 638035197 /nfs/dbraw/zinc/03/51/97/638035197.db2.gz ALMOQDDNBCGSKA-LURJTMIESA-N -1 1 277.748 3.122 20 0 CGADMM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678972 638049807 /nfs/dbraw/zinc/04/98/07/638049807.db2.gz ZTDNTTCQOAIPBM-JGVFFNPUSA-N -1 1 271.719 3.415 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C=C[C@]1(C)CC[C@H](C)C1(C)C ZINC000854633213 638079533 /nfs/dbraw/zinc/07/95/33/638079533.db2.gz SIYZJLIIUAPIHY-YCCWXNPTSA-N -1 1 291.395 3.381 20 0 CGADMM C[C@@H](CCNc1cc(Cl)[n-]c(=O)n1)c1ccccc1 ZINC000858380243 638697352 /nfs/dbraw/zinc/69/73/52/638697352.db2.gz BMEBFRNBFXVJDT-JTQLQIEISA-N -1 1 277.755 3.441 20 0 CGADMM Cc1ccccc1OCCCNc1cc(Cl)[n-]c(=O)n1 ZINC000858392281 638702338 /nfs/dbraw/zinc/70/23/38/638702338.db2.gz GGUYPRNWJJCPGJ-UHFFFAOYSA-N -1 1 293.754 3.025 20 0 CGADMM CC[C@H]1CCC[C@@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858558378 638761973 /nfs/dbraw/zinc/76/19/73/638761973.db2.gz PKFNPMJHJQERLU-DTWKUNHWSA-N -1 1 255.749 3.074 20 0 CGADMM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000928383610 638879235 /nfs/dbraw/zinc/87/92/35/638879235.db2.gz IQLOZTSHXIVCLM-UKRRQHHQSA-N -1 1 296.370 3.196 20 0 CGADMM CC(C)[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000935021362 639732433 /nfs/dbraw/zinc/73/24/33/639732433.db2.gz XKNPETVXTRYPOL-IINYFYTJSA-N -1 1 297.782 3.435 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000935098959 639748560 /nfs/dbraw/zinc/74/85/60/639748560.db2.gz GQJTUJLDBJEKSB-JGPRNRPPSA-N -1 1 263.312 3.296 20 0 CGADMM Cc1nc(Cl)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000192506853 640376506 /nfs/dbraw/zinc/37/65/06/640376506.db2.gz BZUSPLYBJDHKSP-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N(CCc1ccccc1)C1CC1 ZINC001156511282 805706490 /nfs/dbraw/zinc/70/64/90/805706490.db2.gz HZEBNVMHOMNNKK-UHFFFAOYSA-N -1 1 299.345 3.379 20 0 CGADMM COc1ccc(OC)c(-c2cc(F)c([O-])cc2F)c1 ZINC001250614998 805726203 /nfs/dbraw/zinc/72/62/03/805726203.db2.gz HLASLBYGELTNGE-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM Cc1cc2nc(-c3ccc(C(=O)[O-])cc3O)[nH]c2c(C)c1 ZINC001251017442 805829133 /nfs/dbraw/zinc/82/91/33/805829133.db2.gz VVYDYRAPMJHEJN-UHFFFAOYSA-N -1 1 282.299 3.251 20 0 CGADMM [O-]c1ccc(F)c(F)c1-c1nc2cc(F)ccc2[nH]1 ZINC001251319101 805881596 /nfs/dbraw/zinc/88/15/96/805881596.db2.gz NDLSTIPVZBUPFF-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM [O-]c1cc(-c2nc3c(ccc(F)c3F)[nH]2)ccc1F ZINC001251476834 805899395 /nfs/dbraw/zinc/89/93/95/805899395.db2.gz AIQPTBHCOLZQQG-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM Cc1cc(Nc2ccnn2-c2ccncc2)ccc1C(=O)[O-] ZINC001211655475 814926770 /nfs/dbraw/zinc/92/67/70/814926770.db2.gz ZUOWYLPEFDNZIR-UHFFFAOYSA-N -1 1 294.314 3.018 20 0 CGADMM C[C@H](O)CNc1cc(Cl)c(Cl)c(Cl)c1[O-] ZINC001251967922 805958839 /nfs/dbraw/zinc/95/88/39/805958839.db2.gz IUJAEPXQYXTFFX-BYPYZUCNSA-N -1 1 270.543 3.145 20 0 CGADMM CCN(CC(C)(C)C)C(=O)c1cccc([O-])c1F ZINC001159486442 806112771 /nfs/dbraw/zinc/11/27/71/806112771.db2.gz UACLSMGJQOHDNO-UHFFFAOYSA-N -1 1 253.317 3.040 20 0 CGADMM Cc1ccc(C(C)(C)CNC(=O)c2ncccc2[O-])c(C)c1 ZINC001159619425 806134662 /nfs/dbraw/zinc/13/46/62/806134662.db2.gz HXODOAQMZPWLCM-UHFFFAOYSA-N -1 1 298.386 3.112 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1Nc1ccc2c[nH]nc2c1 ZINC001159661977 806143399 /nfs/dbraw/zinc/14/33/99/806143399.db2.gz MWXFTVXADZKBON-UHFFFAOYSA-N -1 1 267.288 3.313 20 0 CGADMM Cc1cc(Nc2ccc3nc[nH]c3c2)cc(C(=O)[O-])c1 ZINC001160224757 806237995 /nfs/dbraw/zinc/23/79/95/806237995.db2.gz YAGNSLWBMHFETD-UHFFFAOYSA-N -1 1 267.288 3.313 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1cc(Cl)ccn1 ZINC001160701081 806296642 /nfs/dbraw/zinc/29/66/42/806296642.db2.gz UMUIZIWJMXPWDT-UHFFFAOYSA-N -1 1 297.141 3.275 20 0 CGADMM CCCc1nnc(-c2cc(OC(F)(F)F)ccc2[O-])o1 ZINC001254026234 806331977 /nfs/dbraw/zinc/33/19/77/806331977.db2.gz KEXDJCHACMQKLY-UHFFFAOYSA-N -1 1 288.225 3.293 20 0 CGADMM [O-]c1cccnc1-c1nnc(Cc2cccc(Cl)c2)o1 ZINC001254414861 806394228 /nfs/dbraw/zinc/39/42/28/806394228.db2.gz AIAGKERJJAJDIH-UHFFFAOYSA-N -1 1 287.706 3.081 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2ccccc2C)cc(F)c1F ZINC001254626661 806462976 /nfs/dbraw/zinc/46/29/76/806462976.db2.gz ZCGZXPQITXMSSB-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)[C@H]1CCC[C@H](C)C1 ZINC001161934524 806485853 /nfs/dbraw/zinc/48/58/53/806485853.db2.gz XPMIKPZGHMPDAA-SRVKXCTJSA-N -1 1 279.355 3.476 20 0 CGADMM C=Cc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC001255647473 806692779 /nfs/dbraw/zinc/69/27/79/806692779.db2.gz HAMCNWXZAFEETP-UHFFFAOYSA-N -1 1 277.320 3.270 20 0 CGADMM O=C([O-])CC[C@@H]1CCCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000381242741 799374597 /nfs/dbraw/zinc/37/45/97/799374597.db2.gz BOLBLLRMDYZQIW-LBPRGKRZSA-N -1 1 297.782 3.265 20 0 CGADMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000381242741 799374603 /nfs/dbraw/zinc/37/46/03/799374603.db2.gz BOLBLLRMDYZQIW-LBPRGKRZSA-N -1 1 297.782 3.265 20 0 CGADMM Cc1cc(Cl)cc(CN2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000395159247 799502801 /nfs/dbraw/zinc/50/28/01/799502801.db2.gz MIJMSMFVTSFRJW-ZDUSSCGKSA-N -1 1 299.823 3.041 20 0 CGADMM CC(C)(C)SCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000398317892 799529973 /nfs/dbraw/zinc/52/99/73/799529973.db2.gz XBCFBPGIDYSUSG-UHFFFAOYSA-N -1 1 287.812 3.307 20 0 CGADMM Cc1nsc([N-]c2cnn([C@@H](C)c3ccccc3)c2)n1 ZINC001163566287 806784528 /nfs/dbraw/zinc/78/45/28/806784528.db2.gz VLSHYKGTLNYIBW-JTQLQIEISA-N -1 1 285.376 3.396 20 0 CGADMM C[C@@H](c1ccco1)N(C)Cc1cc(C(=O)[O-])cs1 ZINC000711378976 800052453 /nfs/dbraw/zinc/05/24/53/800052453.db2.gz JCFXKNBHCLQWFG-VIFPVBQESA-N -1 1 265.334 3.232 20 0 CGADMM C=C/C=C/CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000713498624 800111775 /nfs/dbraw/zinc/11/17/75/800111775.db2.gz IRYWIWMYSYWQSW-ONEGZZNKSA-N -1 1 296.164 3.017 20 0 CGADMM O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1cc(Cl)ccc1[O-] ZINC000717161175 800195624 /nfs/dbraw/zinc/19/56/24/800195624.db2.gz JXSPKYHMWOBYMU-NHCYSSNCSA-N -1 1 279.767 3.212 20 0 CGADMM CCCCCc1nnc(-c2ccc([O-])cc2F)o1 ZINC001256136271 806832286 /nfs/dbraw/zinc/83/22/86/806832286.db2.gz HUEAVCSOPJSPNM-UHFFFAOYSA-N -1 1 250.273 3.314 20 0 CGADMM CC[C@H](NC(=O)c1ncc(C)cc1[O-])c1ccccc1F ZINC001164526343 806954128 /nfs/dbraw/zinc/95/41/28/806954128.db2.gz DVYQGOWMIPLYNA-ZDUSSCGKSA-N -1 1 288.322 3.116 20 0 CGADMM COc1c(Cl)ccc([O-])c1-c1nnc([C@H]2C[C@@H]2C)o1 ZINC001256745706 806968597 /nfs/dbraw/zinc/96/85/97/806968597.db2.gz AQOSTFRFUBGUDB-BQBZGAKWSA-N -1 1 280.711 3.228 20 0 CGADMM COCOc1ccc(-c2c([O-])cccc2Cl)nc1 ZINC001244031324 803152219 /nfs/dbraw/zinc/15/22/19/803152219.db2.gz SEPMTTCLXJGRSO-UHFFFAOYSA-N -1 1 265.696 3.090 20 0 CGADMM Cc1cc(-c2cc(F)c([O-])c(F)c2)cn2ccnc12 ZINC001244097303 803185481 /nfs/dbraw/zinc/18/54/81/803185481.db2.gz OOIQYWJUAZDITF-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccc(N)cc3C)ccc2[n-]1 ZINC001244372164 803335312 /nfs/dbraw/zinc/33/53/12/803335312.db2.gz CSSSKAVYCCQESC-UHFFFAOYSA-N -1 1 295.342 3.297 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccc(N)cc3C)cc2[n-]1 ZINC001244372164 803335318 /nfs/dbraw/zinc/33/53/18/803335318.db2.gz CSSSKAVYCCQESC-UHFFFAOYSA-N -1 1 295.342 3.297 20 0 CGADMM Cc1cc(-c2ncnc3cccnc32)cc(Cl)c1[O-] ZINC001244530369 803421436 /nfs/dbraw/zinc/42/14/36/803421436.db2.gz MFIYHMATMAJPSJ-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM CCN(C)c1ccnc(-c2cc(C)c([O-])c(Cl)c2)n1 ZINC001244529574 803421493 /nfs/dbraw/zinc/42/14/93/803421493.db2.gz CLNHGAXVTFOTOB-UHFFFAOYSA-N -1 1 277.755 3.267 20 0 CGADMM COC(=O)c1cnc(-c2c(Cl)ccc([O-])c2F)c(C)c1 ZINC001244539291 803427011 /nfs/dbraw/zinc/42/70/11/803427011.db2.gz VABRJVBUZKMDKX-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM O=C1Cc2c(cccc2-c2c(Cl)ccc([O-])c2F)N1 ZINC001244540929 803427779 /nfs/dbraw/zinc/42/77/79/803427779.db2.gz JVRBNRWRAGRYHX-UHFFFAOYSA-N -1 1 277.682 3.346 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccc(-n3nccn3)cc2)c1F ZINC001244541370 803429202 /nfs/dbraw/zinc/42/92/02/803429202.db2.gz BCYLHWZWXAAQMR-UHFFFAOYSA-N -1 1 289.697 3.432 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cnc(OCC3CC3)cn2)c1F ZINC001244542004 803429347 /nfs/dbraw/zinc/42/93/47/803429347.db2.gz IQHQZECLRWQQJR-UHFFFAOYSA-N -1 1 294.713 3.431 20 0 CGADMM COC(=O)c1ccncc1-c1c(Cl)ccc([O-])c1F ZINC001244542519 803429608 /nfs/dbraw/zinc/42/96/08/803429608.db2.gz ZHVDQCPHDHBOGF-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM COC(=O)c1ncc(-c2c(Cl)ccc([O-])c2F)cc1F ZINC001244541167 803429617 /nfs/dbraw/zinc/42/96/17/803429617.db2.gz LUQVAFXFXHZDTE-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM CCOC(=O)c1cc(-c2c(Cl)ccc([O-])c2F)ccn1 ZINC001244543844 803430300 /nfs/dbraw/zinc/43/03/00/803430300.db2.gz ZDVWVFCAAONRCI-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM Cc1cc(-c2ccc(=O)n(C3CCC3)n2)cc(Cl)c1[O-] ZINC001244556640 803437068 /nfs/dbraw/zinc/43/70/68/803437068.db2.gz YCSODPCBQAWDIX-UHFFFAOYSA-N -1 1 290.750 3.303 20 0 CGADMM [O-]c1c(Cl)ccc(-c2cccn3cncc23)c1F ZINC001244633474 803476179 /nfs/dbraw/zinc/47/61/79/803476179.db2.gz MNGHPZXKEVWOJV-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM Cc1nc2cncc(-c3ccc(Cl)c([O-])c3F)c2[nH]1 ZINC001244634416 803476885 /nfs/dbraw/zinc/47/68/85/803476885.db2.gz ZZXHYJRCYFUIDK-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM Cc1nc2c[nH]cc(-c3ccc(Cl)c([O-])c3F)c-2n1 ZINC001244634416 803476888 /nfs/dbraw/zinc/47/68/88/803476888.db2.gz ZZXHYJRCYFUIDK-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NCCCC2CCCC2)c1 ZINC001135213340 803579405 /nfs/dbraw/zinc/57/94/05/803579405.db2.gz MDQCYYHMZKYJBS-UHFFFAOYSA-N -1 1 289.375 3.213 20 0 CGADMM CC(C)c1ccc(CN(C)C(=O)c2ccc([O-])cn2)cc1 ZINC001136152344 803633248 /nfs/dbraw/zinc/63/32/48/803633248.db2.gz OTOAWEJDJNYLQC-UHFFFAOYSA-N -1 1 284.359 3.183 20 0 CGADMM Cc1cccc2c1CC[C@@H]2NC(=O)c1cc(F)ccc1[O-] ZINC001136713835 803650045 /nfs/dbraw/zinc/65/00/45/803650045.db2.gz SGDXSNSWWSEUQW-HNNXBMFYSA-N -1 1 285.318 3.257 20 0 CGADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccc(F)c([O-])c1 ZINC001136722787 803651087 /nfs/dbraw/zinc/65/10/87/803651087.db2.gz LJRVKDPBVNBMAI-CQSZACIVSA-N -1 1 289.281 3.088 20 0 CGADMM CC(C)[C@H]1CCCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001136787268 803652057 /nfs/dbraw/zinc/65/20/57/803652057.db2.gz BSGYFJNDWSLMIF-CYBMUJFWSA-N -1 1 265.328 3.182 20 0 CGADMM CC[C@H](C)C[C@@H](C)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001136967348 803664441 /nfs/dbraw/zinc/66/44/41/803664441.db2.gz ZDGAEEKYBXSZTI-CMPLNLGQSA-N -1 1 277.364 3.068 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc3c2CCN3)c1Cl ZINC001245826119 803981728 /nfs/dbraw/zinc/98/17/28/803981728.db2.gz CPVQEHAFXKVBNY-UHFFFAOYSA-N -1 1 264.687 3.215 20 0 CGADMM COC(=O)c1cc(F)cnc1-c1c(F)ccc([O-])c1Cl ZINC001245827214 803982909 /nfs/dbraw/zinc/98/29/09/803982909.db2.gz MZRPAAOHMDDAPA-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM CSc1nccc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245827203 803982954 /nfs/dbraw/zinc/98/29/54/803982954.db2.gz MZBIKDFBSSQOBS-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM CCOc1nccc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245830561 803984674 /nfs/dbraw/zinc/98/46/74/803984674.db2.gz QYKSNGBAGGMGBF-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM CN1C(=O)Cc2ccc(-c3c(F)ccc([O-])c3Cl)cc21 ZINC001245836120 803989157 /nfs/dbraw/zinc/98/91/57/803989157.db2.gz XXGCHJACUCKXSH-UHFFFAOYSA-N -1 1 291.709 3.371 20 0 CGADMM COc1ccc(C(C)(C)C)cc1-n1[n-]c(C)cc1=O ZINC001245928129 804056211 /nfs/dbraw/zinc/05/62/11/804056211.db2.gz NGRBINIYMYRMRZ-UHFFFAOYSA-N -1 1 260.337 3.192 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(F)c([O-])c2)[C@H]1C ZINC001139522944 804201168 /nfs/dbraw/zinc/20/11/68/804201168.db2.gz DYLAWPITBUACAR-MDZLAQPJSA-N -1 1 279.355 3.333 20 0 CGADMM Cc1[nH]c(CN2CCc3ccccc3[C@H]2C)c(C)c1C(=O)[O-] ZINC001140494044 804446991 /nfs/dbraw/zinc/44/69/91/804446991.db2.gz UOVDPQUPRKVSAE-CYBMUJFWSA-N -1 1 298.386 3.449 20 0 CGADMM Cc1[nH]c(CN2CC[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001140497046 804447068 /nfs/dbraw/zinc/44/70/68/804447068.db2.gz BZQYFABUDDKMOT-HNNXBMFYSA-N -1 1 284.359 3.277 20 0 CGADMM CC(=O)c1csc(C(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001140652317 804483925 /nfs/dbraw/zinc/48/39/25/804483925.db2.gz JLWQORDEOVKWTF-UHFFFAOYSA-N -1 1 297.282 3.187 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@@H]2c2ccncc2)cc1F ZINC001140989875 804563298 /nfs/dbraw/zinc/56/32/98/804563298.db2.gz FLMOWULMAGXYRA-OAHLLOKOSA-N -1 1 290.313 3.403 20 0 CGADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1ccc(F)c([O-])c1 ZINC001141461369 804642534 /nfs/dbraw/zinc/64/25/34/804642534.db2.gz UFGUJPWORMMPGH-OAHLLOKOSA-N -1 1 299.345 3.455 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ccccc2O)c1 ZINC001142016490 804687807 /nfs/dbraw/zinc/68/78/07/804687807.db2.gz KEQSPNUBWDAOBM-UHFFFAOYSA-N -1 1 275.329 3.072 20 0 CGADMM O=C(NC[C@H]1CC2CCC1CC2)c1ccc(F)c([O-])c1 ZINC001142972239 804791738 /nfs/dbraw/zinc/79/17/38/804791738.db2.gz MHFMUAFAPXRRAX-GCZXYKMCSA-N -1 1 277.339 3.087 20 0 CGADMM Cc1ccc(NC(=O)c2cncc([O-])c2)c(Cl)c1C ZINC001143100785 804800162 /nfs/dbraw/zinc/80/01/62/804800162.db2.gz WTOKVOJVVKFDNQ-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM Cc1ccc(-c2noc(-c3ncccc3[O-])n2)c(F)c1F ZINC001212481088 815036713 /nfs/dbraw/zinc/03/67/13/815036713.db2.gz ZRLFMJMPPWWQLO-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM CC(C)CCc1cc(NC(=O)c2cc(F)ccc2[O-])n[nH]1 ZINC001143427892 804851430 /nfs/dbraw/zinc/85/14/30/804851430.db2.gz DEUYJQIHZRQGFG-UHFFFAOYSA-N -1 1 291.326 3.095 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC001144554786 805004103 /nfs/dbraw/zinc/00/41/03/805004103.db2.gz HONFEABJZBTZMX-SSDOTTSWSA-N -1 1 281.224 3.055 20 0 CGADMM [O-]c1cc(F)c(CN2CCc3ccsc3C2)c(F)c1 ZINC001144555098 805005232 /nfs/dbraw/zinc/00/52/32/805005232.db2.gz VIIMIQWBSIPQDQ-UHFFFAOYSA-N -1 1 281.327 3.290 20 0 CGADMM Cc1ccc(C2(NC(=O)c3ncc(C)cc3[O-])CCC2)cc1 ZINC001144862454 805056859 /nfs/dbraw/zinc/05/68/59/805056859.db2.gz PLRBZDRJXLRNLV-UHFFFAOYSA-N -1 1 296.370 3.213 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](CC2CC2)c2ccccc2)c([O-])c1 ZINC001147035086 805103909 /nfs/dbraw/zinc/10/39/09/805103909.db2.gz RYWKSDCQZRWSMK-HNNXBMFYSA-N -1 1 296.370 3.367 20 0 CGADMM CC(C)N(C(=O)c1ccc2cccnc2c1[O-])C(C)C ZINC001149315112 805228604 /nfs/dbraw/zinc/22/86/04/805228604.db2.gz VNQMELJQRCQNOW-UHFFFAOYSA-N -1 1 272.348 3.199 20 0 CGADMM C[C@H]1CN(C(=O)c2cc3cccc(O)c3cc2[O-])C2(CC2)C1 ZINC001149652149 805240924 /nfs/dbraw/zinc/24/09/24/805240924.db2.gz YPZUROUKFRYCCT-LLVKDONJSA-N -1 1 297.354 3.266 20 0 CGADMM COc1ccc2[nH]c(Nc3ncc(F)cc3[O-])cc2c1 ZINC001249883686 805276597 /nfs/dbraw/zinc/27/65/97/805276597.db2.gz ULUJACAPOBKWIE-UHFFFAOYSA-N -1 1 273.267 3.160 20 0 CGADMM COc1ccc(C(=O)Cc2cc(F)c([O-])c(F)c2)cc1 ZINC001249903752 805293711 /nfs/dbraw/zinc/29/37/11/805293711.db2.gz FXJUTXZOUQFXRI-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM CCOc1ccc(CC(=O)Nc2cccc(F)c2[O-])cc1 ZINC001151771720 805311526 /nfs/dbraw/zinc/31/15/26/805311526.db2.gz JAGAXASREYLMFJ-UHFFFAOYSA-N -1 1 289.306 3.111 20 0 CGADMM [O-]c1cc(Nc2cc(F)ccn2)c(F)c(F)c1F ZINC001249958403 805324143 /nfs/dbraw/zinc/32/41/43/805324143.db2.gz MZVJGBIQRVTMDD-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM Cc1cc2cc(N)cnc2n1-c1cc([O-])c(F)c(F)c1F ZINC001249958595 805325658 /nfs/dbraw/zinc/32/56/58/805325658.db2.gz OTVRTNRZMDHPJL-UHFFFAOYSA-N -1 1 293.248 3.039 20 0 CGADMM [O-]c1cc(Nc2ccn3ccnc3c2)c(F)c(F)c1F ZINC001249961487 805328235 /nfs/dbraw/zinc/32/82/35/805328235.db2.gz QYQZWEJGPCJXEA-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM [O-]c1cc(Nc2cnn3cc(F)ccc23)c(F)c(F)c1F ZINC001249962755 805330297 /nfs/dbraw/zinc/33/02/97/805330297.db2.gz NHUHJSUVSDYFDO-UHFFFAOYSA-N -1 1 297.211 3.340 20 0 CGADMM Cn1ncc2cccc(Nc3cc([O-])c(F)c(F)c3F)c21 ZINC001249963397 805330942 /nfs/dbraw/zinc/33/09/42/805330942.db2.gz PVNSISZBIIKRIQ-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM CC1(C)CC(NC(=O)c2ccc([O-])cn2)CC(C)(C)C1 ZINC001152652091 805358664 /nfs/dbraw/zinc/35/86/64/805358664.db2.gz NULJKXLGRGEFBQ-UHFFFAOYSA-N -1 1 276.380 3.122 20 0 CGADMM CCOc1nccnc1Nc1cc(Cl)c([O-])cc1F ZINC001250020549 805371326 /nfs/dbraw/zinc/37/13/26/805371326.db2.gz NBJZSZNCGISOCU-UHFFFAOYSA-N -1 1 283.690 3.117 20 0 CGADMM Cc1cc(O)cnc1Nc1cc(Cl)c([O-])cc1F ZINC001250021006 805372399 /nfs/dbraw/zinc/37/23/99/805372399.db2.gz WDXPJMDWLMBZQT-UHFFFAOYSA-N -1 1 268.675 3.337 20 0 CGADMM COC(=O)c1cccnc1Nc1cc(Cl)c([O-])cc1F ZINC001250020272 805372526 /nfs/dbraw/zinc/37/25/26/805372526.db2.gz IGSMTKCBAWZBSK-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(CO)cc2)cc1Cl ZINC001250022672 805373898 /nfs/dbraw/zinc/37/38/98/805373898.db2.gz RSDBXJJMQPRMPT-UHFFFAOYSA-N -1 1 267.687 3.421 20 0 CGADMM Nc1ccc(O)c(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250023826 805374712 /nfs/dbraw/zinc/37/47/12/805374712.db2.gz CNJAKLIFBVYVAL-UHFFFAOYSA-N -1 1 268.675 3.216 20 0 CGADMM COc1c(Cl)ccc(F)c1Nc1ncc(F)cc1[O-] ZINC001250101496 805418222 /nfs/dbraw/zinc/41/82/22/805418222.db2.gz HGTPABDPQKNLAC-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM COc1nc(OC)c(Nc2c([O-])cc(F)cc2F)cc1C ZINC001250187279 805474039 /nfs/dbraw/zinc/47/40/39/805474039.db2.gz VENGNQDHWDQKBA-UHFFFAOYSA-N -1 1 296.273 3.135 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N[C@@H](C)C(C)C)cc2c1 ZINC001154744349 805481467 /nfs/dbraw/zinc/48/14/67/805481467.db2.gz MMTDXLRKZISVNP-NSHDSACASA-N -1 1 287.359 3.328 20 0 CGADMM Cc1ccc(O)c(Nc2c(F)ccc([O-])c2Cl)n1 ZINC001250228679 805505538 /nfs/dbraw/zinc/50/55/38/805505538.db2.gz KCNHXAHJXJKATA-UHFFFAOYSA-N -1 1 268.675 3.337 20 0 CGADMM Nc1ccc(Nc2c(F)ccc([O-])c2Cl)c(CCO)c1 ZINC001250232218 805506462 /nfs/dbraw/zinc/50/64/62/805506462.db2.gz DYPJONFAXSFDQL-UHFFFAOYSA-N -1 1 296.729 3.045 20 0 CGADMM CNC(=O)c1cccc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250232722 805508291 /nfs/dbraw/zinc/50/82/91/805508291.db2.gz ALKQPHCOTLZNIL-UHFFFAOYSA-N -1 1 294.713 3.288 20 0 CGADMM O=C(Cc1ccc([O-])c(F)c1F)c1cccc(F)c1 ZINC001250235859 805510549 /nfs/dbraw/zinc/51/05/49/805510549.db2.gz FLYSVWTYCDLXOU-UHFFFAOYSA-N -1 1 266.218 3.235 20 0 CGADMM O=C(Cc1cc(F)c([O-])cc1F)c1cccc(F)c1 ZINC001250235801 805511056 /nfs/dbraw/zinc/51/10/56/805511056.db2.gz BWHQIGLUFKTORI-UHFFFAOYSA-N -1 1 266.218 3.235 20 0 CGADMM Nc1cccc(O)c1Nc1c(F)ccc([O-])c1Cl ZINC001250236192 805511792 /nfs/dbraw/zinc/51/17/92/805511792.db2.gz LGDMNCZEQFXRTM-UHFFFAOYSA-N -1 1 268.675 3.216 20 0 CGADMM Cc1ccccc1Cc1nnc(-c2cccc([O-])c2F)o1 ZINC001258455166 807460679 /nfs/dbraw/zinc/46/06/79/807460679.db2.gz GHVMBHZJAXHWOI-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM [O-]c1cc(F)c(F)c(-c2nnc(CC3CCCC3)o2)c1 ZINC001258695097 807550847 /nfs/dbraw/zinc/55/08/47/807550847.db2.gz IUDIKLNQOGNXIF-UHFFFAOYSA-N -1 1 280.274 3.453 20 0 CGADMM CCCc1ccnc([N-]S(=O)(=O)C2CCCCC2)c1 ZINC001259809689 807687842 /nfs/dbraw/zinc/68/78/42/807687842.db2.gz BOPJVAIKWJSCTD-UHFFFAOYSA-N -1 1 282.409 3.109 20 0 CGADMM Cc1csc([N-]S(=O)(=O)Cc2ccccc2C)c1 ZINC001260016452 807695277 /nfs/dbraw/zinc/69/52/77/807695277.db2.gz QVRHDKKRWHAAQD-UHFFFAOYSA-N -1 1 281.402 3.307 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1c(C)ccc2cccnc21 ZINC001260738105 807702483 /nfs/dbraw/zinc/70/24/83/807702483.db2.gz HTKGIVAGOZWZNT-NSHDSACASA-N -1 1 278.377 3.083 20 0 CGADMM Cc1cc(F)ncc1Nc1c([O-])cc(F)cc1F ZINC001212816583 815146224 /nfs/dbraw/zinc/14/62/24/815146224.db2.gz ZFBXKDULNBKKPJ-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cc(-c2ccccc2)on1 ZINC001171632531 808109475 /nfs/dbraw/zinc/10/94/75/808109475.db2.gz FJSUIJQBFZZWGB-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM CC(C)c1ccccc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001174047368 808844252 /nfs/dbraw/zinc/84/42/52/808844252.db2.gz KSKUSANAHOISBO-UHFFFAOYSA-N -1 1 267.332 3.437 20 0 CGADMM CNC(=O)c1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001174141547 808887251 /nfs/dbraw/zinc/88/72/51/808887251.db2.gz ZHOGVDSXCWZIHR-UHFFFAOYSA-N -1 1 294.713 3.288 20 0 CGADMM COc1ccc(Nc2cc(=O)[n-]c(SC)n2)cc1Cl ZINC001174151982 808893189 /nfs/dbraw/zinc/89/31/89/808893189.db2.gz VASGTGRSKYBAIW-UHFFFAOYSA-N -1 1 297.767 3.310 20 0 CGADMM O=C(N[C@H](CF)c1ccc(F)cc1)c1c([O-])cccc1F ZINC001174763525 809158665 /nfs/dbraw/zinc/15/86/65/809158665.db2.gz KBHGDCFCWOAOMZ-GFCCVEGCSA-N -1 1 295.260 3.111 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1c(F)cc(O)cc1F ZINC001175099509 809270692 /nfs/dbraw/zinc/27/06/92/809270692.db2.gz KJOGTZDUVUOZRI-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM CC(C)(c1ccc([N-]c2nonc2N)cc1)C(F)(F)F ZINC001213390673 815275875 /nfs/dbraw/zinc/27/58/75/815275875.db2.gz OEXDTPBAKGFPGO-UHFFFAOYSA-N -1 1 286.257 3.235 20 0 CGADMM Cc1c(C2CC2)cccc1-n1[n-]c(=O)c2cc(N)ccc21 ZINC001213475606 815287622 /nfs/dbraw/zinc/28/76/22/815287622.db2.gz PKGYNPPPQZQKRM-UHFFFAOYSA-N -1 1 279.343 3.499 20 0 CGADMM CCc1cccc(NC(=O)c2cccc([O-])c2F)c1 ZINC001290026399 809399330 /nfs/dbraw/zinc/39/93/30/809399330.db2.gz CGYLPZKGVMCZDT-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM O=C([N-]c1ccc(F)c(F)c1F)c1c(F)cncc1F ZINC001291891945 809424510 /nfs/dbraw/zinc/42/45/10/809424510.db2.gz SRIMEJUYDXGTKE-UHFFFAOYSA-N -1 1 288.175 3.029 20 0 CGADMM CC(C)(C)OC(=O)Nc1ccc([N-]c2nnco2)cc1 ZINC001175545911 809446233 /nfs/dbraw/zinc/44/62/33/809446233.db2.gz QDJITHBRCMGEAN-UHFFFAOYSA-N -1 1 276.296 3.160 20 0 CGADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(F)c([O-])c1 ZINC001293464135 809449182 /nfs/dbraw/zinc/44/91/82/809449182.db2.gz VWWIIFKRNKLOFF-VXGBXAGGSA-N -1 1 279.355 3.478 20 0 CGADMM CSc1nc(Nc2cc(C3CC3)cnc2C)cc(=O)[n-]1 ZINC001213491270 815289793 /nfs/dbraw/zinc/28/97/93/815289793.db2.gz FQWROGIKRLSUDF-UHFFFAOYSA-N -1 1 288.376 3.229 20 0 CGADMM Cn1cc2ccc(Nc3ccnc(Cl)c3[O-])cc2n1 ZINC001175609649 809471886 /nfs/dbraw/zinc/47/18/86/809471886.db2.gz PEJJVNYJPAXBTD-UHFFFAOYSA-N -1 1 274.711 3.071 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCc2c1cccc2Cl ZINC001295041913 809478856 /nfs/dbraw/zinc/47/88/56/809478856.db2.gz RWVWXXRPJPPHAU-UHFFFAOYSA-N -1 1 291.709 3.388 20 0 CGADMM COc1cccc(C(=O)Nc2cc([O-])c(F)cc2F)c1C ZINC001298972591 809542081 /nfs/dbraw/zinc/54/20/81/809542081.db2.gz GQNMOOWXWZXCCN-UHFFFAOYSA-N -1 1 293.269 3.240 20 0 CGADMM Cc1ccc(CCC(=O)Nc2cccc(F)c2[O-])cc1 ZINC001302481815 809595767 /nfs/dbraw/zinc/59/57/67/809595767.db2.gz HTYYZHCVJBXYIG-UHFFFAOYSA-N -1 1 273.307 3.411 20 0 CGADMM CCc1nnc([N-]c2cc(OC(C)C)ncc2F)s1 ZINC001176481316 809705103 /nfs/dbraw/zinc/70/51/03/809705103.db2.gz ZLNRHEAKPIVQQJ-UHFFFAOYSA-N -1 1 282.344 3.165 20 0 CGADMM Cc1cc(C[C@H](C)Nc2c(F)cc(F)c([O-])c2F)on1 ZINC001176662747 809736924 /nfs/dbraw/zinc/73/69/24/809736924.db2.gz WBWWFOPVYTWNGJ-LURJTMIESA-N -1 1 286.253 3.149 20 0 CGADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)ncc1C ZINC001176669105 809738494 /nfs/dbraw/zinc/73/84/94/809738494.db2.gz DIGQMWMEIWIYHL-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM Cn1cc2cccc(Nc3c(F)cc(F)c([O-])c3F)c2n1 ZINC001176672483 809739700 /nfs/dbraw/zinc/73/97/00/809739700.db2.gz XSGLUGKJPKZVHM-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc3cncnc3c2)c1F ZINC001176670235 809739960 /nfs/dbraw/zinc/73/99/60/809739960.db2.gz BNWXZOLONDRLQH-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc3c(c2)CCO3)c1F ZINC001176672031 809739969 /nfs/dbraw/zinc/73/99/69/809739969.db2.gz CPHZKKPQZDTLNV-UHFFFAOYSA-N -1 1 281.233 3.488 20 0 CGADMM Cc1ccccc1-c1noc(-c2cc([O-])cnc2Cl)n1 ZINC001213697695 815323122 /nfs/dbraw/zinc/32/31/22/815323122.db2.gz DKFVCKQVLNOADV-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CCC1(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)CCC1 ZINC001179018511 809898642 /nfs/dbraw/zinc/89/86/42/809898642.db2.gz SMYVFCPAKPEZOE-UHFFFAOYSA-N -1 1 285.347 3.097 20 0 CGADMM O=C(Nc1csc2cnccc12)c1ccc([O-])c(F)c1 ZINC001186208373 810321255 /nfs/dbraw/zinc/32/12/55/810321255.db2.gz BYVKVPBEFNJUTN-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM C=Cc1ccc(CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC001186236623 810322887 /nfs/dbraw/zinc/32/28/87/810322887.db2.gz JPJIXCHXKRYPJK-UHFFFAOYSA-N -1 1 271.291 3.104 20 0 CGADMM O=C(NCC1CCCCC1)Nc1cc(F)c([O-])cc1F ZINC001186880837 810369690 /nfs/dbraw/zinc/36/96/90/810369690.db2.gz LTTAPJPJBDIHMU-UHFFFAOYSA-N -1 1 284.306 3.372 20 0 CGADMM O=C(NCCC(F)(F)F)Nc1ccc(Cl)cc1[O-] ZINC001187012633 810378867 /nfs/dbraw/zinc/37/88/67/810378867.db2.gz CERRLPSMLVPFAM-UHFFFAOYSA-N -1 1 282.649 3.120 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2ccoc2)c(F)cc1Cl ZINC001188614015 810494236 /nfs/dbraw/zinc/49/42/36/810494236.db2.gz CCVNYRQJLDJIGV-UHFFFAOYSA-N -1 1 289.715 3.181 20 0 CGADMM O=S(=O)([N-]c1ccsc1)c1ccc(C2CC2)cc1 ZINC001190468229 810629497 /nfs/dbraw/zinc/62/94/97/810629497.db2.gz QGEXDTLWRFCIDV-UHFFFAOYSA-N -1 1 279.386 3.426 20 0 CGADMM CCCCNC(=O)Nc1cccc([O-])c1Br ZINC001190622241 810639139 /nfs/dbraw/zinc/63/91/39/810639139.db2.gz SVRUMXWPOZRXEH-UHFFFAOYSA-N -1 1 287.157 3.076 20 0 CGADMM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccncc1 ZINC001190846567 810652034 /nfs/dbraw/zinc/65/20/34/810652034.db2.gz OSPVXVUJTFSKQC-LBPRGKRZSA-N -1 1 290.388 3.396 20 0 CGADMM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccncc2)c1 ZINC001190893611 810656274 /nfs/dbraw/zinc/65/62/74/810656274.db2.gz NASLJIBXISWQHU-UHFFFAOYSA-N -1 1 290.388 3.180 20 0 CGADMM Cc1cc(NC(=O)Nc2ncccc2[O-])ccc1Cl ZINC001191736595 810734237 /nfs/dbraw/zinc/73/42/37/810734237.db2.gz FOYFVODRWQVTMW-UHFFFAOYSA-N -1 1 277.711 3.393 20 0 CGADMM CCc1nccc(C)c1NC(=O)c1cc([O-])cc(F)c1F ZINC001192661181 810814800 /nfs/dbraw/zinc/81/48/00/810814800.db2.gz MAEUCCCYJMDTRQ-UHFFFAOYSA-N -1 1 292.285 3.189 20 0 CGADMM C[C@@]1(F)CCCCN(C(=O)c2cc([O-])cc(F)c2F)C1 ZINC001192661205 810815205 /nfs/dbraw/zinc/81/52/05/810815205.db2.gz NBKSIWYJBCIART-CQSZACIVSA-N -1 1 287.281 3.025 20 0 CGADMM CC(C)(CNC(=O)c1cc([O-])cc(F)c1F)CC1CC1 ZINC001192683998 810815395 /nfs/dbraw/zinc/81/53/95/810815395.db2.gz KNPKTKGAHPKXFM-UHFFFAOYSA-N -1 1 283.318 3.227 20 0 CGADMM CC(C)OC(=O)Nc1ccc(Br)cc1[O-] ZINC001193487290 810894910 /nfs/dbraw/zinc/89/49/10/810894910.db2.gz FTWXARRYLVUWQG-UHFFFAOYSA-N -1 1 274.114 3.112 20 0 CGADMM Cc1ccc(Nc2cc3ccc([O-])cc3oc2=O)c(CO)c1 ZINC001214452788 815410883 /nfs/dbraw/zinc/41/08/83/815410883.db2.gz IZMCKOBFTPZATF-UHFFFAOYSA-N -1 1 297.310 3.043 20 0 CGADMM Cc1nccc(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214479715 815415041 /nfs/dbraw/zinc/41/50/41/815415041.db2.gz DWRADRWYKXXBHI-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM COc1ncccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214480174 815415118 /nfs/dbraw/zinc/41/51/18/815415118.db2.gz NJLYTEPGLJQHRA-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM [O-]c1c(F)cc(Nc2cncc(Cl)n2)cc1Cl ZINC001214479571 815415568 /nfs/dbraw/zinc/41/55/68/815415568.db2.gz AQWJMTJOYJNANR-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM Cc1ccnnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214484917 815416221 /nfs/dbraw/zinc/41/62/21/815416221.db2.gz SEOKEFOYFKLXAS-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM Cc1ncc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214483033 815416356 /nfs/dbraw/zinc/41/63/56/815416356.db2.gz ZGZKHJXWRCVRCI-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM NC(=O)c1ccc(F)c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214489387 815417738 /nfs/dbraw/zinc/41/77/38/815417738.db2.gz BWIWFMIWPJVEGD-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM O=C(Nc1cc(O)cc(Cl)c1)c1cc([O-])cnc1Cl ZINC001195305596 811240682 /nfs/dbraw/zinc/24/06/82/811240682.db2.gz HBIFJQFGUAJZHD-UHFFFAOYSA-N -1 1 299.113 3.052 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2cccc3cc(O)ccc32)n1 ZINC001195329682 811243017 /nfs/dbraw/zinc/24/30/17/811243017.db2.gz GTOFLSNMZZYBBV-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1c(C)cc(Cl)cc1C ZINC001195490257 811261725 /nfs/dbraw/zinc/26/17/25/811261725.db2.gz FKWHJCRHFGCODC-UHFFFAOYSA-N -1 1 286.784 3.400 20 0 CGADMM COc1ccc(-c2nc(-c3cnc(C)c(C)c3)no2)c([O-])c1 ZINC001215149989 815488637 /nfs/dbraw/zinc/48/86/37/815488637.db2.gz RYBCUSRNTVNDMJ-UHFFFAOYSA-N -1 1 297.314 3.130 20 0 CGADMM Cc1ccc(NC(=O)Nc2c([O-])cccc2F)cc1 ZINC001202432105 812090822 /nfs/dbraw/zinc/09/08/22/812090822.db2.gz VAWGHVBNVIOTQX-UHFFFAOYSA-N -1 1 260.268 3.484 20 0 CGADMM O=C(NC(=O)c1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC001202454507 812098267 /nfs/dbraw/zinc/09/82/67/812098267.db2.gz NARKVXNDABDJRN-UHFFFAOYSA-N -1 1 290.706 3.008 20 0 CGADMM CC(C)(C)NC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001202476879 812104294 /nfs/dbraw/zinc/10/42/94/812104294.db2.gz SJNCCUBKBBYGNI-UHFFFAOYSA-N -1 1 260.696 3.105 20 0 CGADMM Cc1c(F)cccc1-c1noc(-c2ccc(O)cc2[O-])n1 ZINC001215297274 815504249 /nfs/dbraw/zinc/50/42/49/815504249.db2.gz VFYSKTHQDRHDBM-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM Cc1cccc(-c2noc(-c3ccc(O)cc3[O-])n2)c1F ZINC001215296973 815504533 /nfs/dbraw/zinc/50/45/33/815504533.db2.gz IJGBOCYTFXLCDY-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM Cc1cc(C)cc(-c2noc(-c3ccc(O)cc3[O-])n2)c1 ZINC001215300479 815505154 /nfs/dbraw/zinc/50/51/54/815505154.db2.gz ZPGLNEGXQPKLTH-UHFFFAOYSA-N -1 1 282.299 3.432 20 0 CGADMM CCCCOc1ccc([N-]c2nnc(C)o2)c(F)c1 ZINC001215481499 815524259 /nfs/dbraw/zinc/52/42/59/815524259.db2.gz LDPVGTWTSXTDIA-UHFFFAOYSA-N -1 1 265.288 3.440 20 0 CGADMM CSc1nc(Nc2cn(C)c3ccccc23)cc(=O)[n-]1 ZINC001203415540 812349899 /nfs/dbraw/zinc/34/98/99/812349899.db2.gz HUSBXAXVTWKLCZ-UHFFFAOYSA-N -1 1 286.360 3.139 20 0 CGADMM COc1ccc(O)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001215571584 815536962 /nfs/dbraw/zinc/53/69/62/815536962.db2.gz ICBDKRQXAWBZCZ-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM Cn1cnc2c1cccc2Nc1cc(F)c([O-])cc1F ZINC001215577046 815539281 /nfs/dbraw/zinc/53/92/81/815539281.db2.gz QVVUBIKVQKFVPB-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM Cc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1O ZINC001209977069 814227658 /nfs/dbraw/zinc/22/76/58/814227658.db2.gz AZOBOJQOACACLR-UHFFFAOYSA-N -1 1 281.315 3.336 20 0 CGADMM Cc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1CO ZINC001210244924 814362570 /nfs/dbraw/zinc/36/25/70/814362570.db2.gz OWDLLNLOACUNMW-UHFFFAOYSA-N -1 1 297.310 3.043 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1cccc(SC)c1F ZINC001215866915 815617742 /nfs/dbraw/zinc/61/77/42/815617742.db2.gz MNQVOYJKDHMICT-UHFFFAOYSA-N -1 1 296.323 3.456 20 0 CGADMM COc1c(F)c(F)c([N-]c2nc(C)co2)c(F)c1F ZINC001210759463 814612865 /nfs/dbraw/zinc/61/28/65/814612865.db2.gz FJYPDDHFTBHOKD-UHFFFAOYSA-N -1 1 276.189 3.292 20 0 CGADMM CSc1ccnc(-c2cccc([O-])c2Cl)n1 ZINC001242799199 823135829 /nfs/dbraw/zinc/13/58/29/823135829.db2.gz YPVUOFMOAGJMBI-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM O=c1ccn(-c2ccc(Nc3ccc(F)c(O)c3)cc2)[n-]1 ZINC001211220664 814855328 /nfs/dbraw/zinc/85/53/28/814855328.db2.gz FSSHRUANSYBYOS-UHFFFAOYSA-N -1 1 285.278 3.166 20 0 CGADMM [O-]c1cccc(-c2ccc(F)c(-c3nn[nH]n3)c2)c1Cl ZINC001242803252 823138557 /nfs/dbraw/zinc/13/85/57/823138557.db2.gz XIAFDBCXWVQMGM-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM O=c1ccc2cccc(-c3cc(F)c([O-])cc3F)c2o1 ZINC001211349243 814883876 /nfs/dbraw/zinc/88/38/76/814883876.db2.gz BIALBSAOWIUWOJ-UHFFFAOYSA-N -1 1 274.222 3.444 20 0 CGADMM O=C([O-])c1ccccc1-c1cc(N2CCCCC2)ccn1 ZINC001242879619 823162539 /nfs/dbraw/zinc/16/25/39/823162539.db2.gz XSFUDLYENCNPIQ-UHFFFAOYSA-N -1 1 282.343 3.437 20 0 CGADMM COc1c(C(=O)[O-])cccc1-c1ccc2nc(C)[nH]c2c1 ZINC001242922681 823173013 /nfs/dbraw/zinc/17/30/13/823173013.db2.gz LKPCEUNZCCYFET-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM [O-]c1cc(Cl)c(OC2CCC(O)CC2)cc1Cl ZINC001218366877 816181765 /nfs/dbraw/zinc/18/17/65/816181765.db2.gz RMYBMPXSHUZMNG-UHFFFAOYSA-N -1 1 277.147 3.381 20 0 CGADMM CCCCC[C@@H](OCc1nn[n-]n1)[C@@H](C)CCC ZINC001223027343 816554325 /nfs/dbraw/zinc/55/43/25/816554325.db2.gz OFBNGGQMVPWIJD-NWDGAFQWSA-N -1 1 254.378 3.101 20 0 CGADMM CCCCCC[C@@H](CCCC)OCc1nn[n-]n1 ZINC001223027435 816554339 /nfs/dbraw/zinc/55/43/39/816554339.db2.gz PCQKVWGNYFZCAA-GFCCVEGCSA-N -1 1 254.378 3.246 20 0 CGADMM [O-]c1cc(-c2nncc3cc(F)ccc32)ccc1F ZINC001243053320 823229037 /nfs/dbraw/zinc/22/90/37/823229037.db2.gz AXPDBUUXZOBUAI-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(-c2nccc(-c3cccnc3F)n2)ccc1F ZINC001243053307 823229163 /nfs/dbraw/zinc/22/91/63/823229163.db2.gz ALOPGGYLSLTIIK-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM CCCC/C=C/[C@H](C)OCCCC[P@](=O)([O-])O ZINC001225018793 816932263 /nfs/dbraw/zinc/93/22/63/816932263.db2.gz HSFKYEICBFFALT-LZGFCCKTSA-N -1 1 264.302 3.096 20 0 CGADMM CCC[C@@H]1CCCC[C@H]1OCCCC[P@](=O)([O-])O ZINC001225018637 816932852 /nfs/dbraw/zinc/93/28/52/816932852.db2.gz DGDJMBKNLXJMSG-CHWSQXEVSA-N -1 1 278.329 3.320 20 0 CGADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCCC[P@](=O)([O-])O ZINC001225019064 816934931 /nfs/dbraw/zinc/93/49/31/816934931.db2.gz PZCSOOIDZOEIDC-MCIONIFRSA-N -1 1 292.356 3.422 20 0 CGADMM C[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccc(Cl)cc1 ZINC001225766396 817171171 /nfs/dbraw/zinc/17/11/71/817171171.db2.gz SBXIWIQORJYSDI-ZETCQYMHSA-N -1 1 282.752 3.264 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccc(O[C@H]2CCCOC2)cc1 ZINC001225809455 817184252 /nfs/dbraw/zinc/18/42/52/817184252.db2.gz DFLZXPPQUMHDHA-KRWDZBQOSA-N -1 1 298.338 3.181 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3CC[C@H](C)C3)c12 ZINC001226486659 817372644 /nfs/dbraw/zinc/37/26/44/817372644.db2.gz SRMDVJNMQIQUET-JOYOIKCWSA-N -1 1 274.316 3.374 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H](C)C(F)(F)F)c12 ZINC001226490235 817374916 /nfs/dbraw/zinc/37/49/16/817374916.db2.gz PXWBGJGGBIDIRK-ZETCQYMHSA-N -1 1 288.221 3.137 20 0 CGADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cnc[n-]c1=O ZINC001227045193 817541831 /nfs/dbraw/zinc/54/18/31/817541831.db2.gz MUUWPPLTEBQUHG-GRYCIOLGSA-N -1 1 250.342 3.022 20 0 CGADMM CC(C)(C)[C@H]1CC[C@H](Oc2cnc[n-]c2=O)CC1 ZINC001227051904 817544083 /nfs/dbraw/zinc/54/40/83/817544083.db2.gz RSLZHMYFDDMYDY-XYPYZODXSA-N -1 1 250.342 3.166 20 0 CGADMM O=c1ncc(Br)c(O[C@@H]2CCC=CCCC2)[n-]1 ZINC001227138499 817570050 /nfs/dbraw/zinc/57/00/50/817570050.db2.gz QLGLLZCYJPRPSC-SECBINFHSA-N -1 1 299.168 3.212 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CCc2ccccc21 ZINC001227169542 817578055 /nfs/dbraw/zinc/57/80/55/817578055.db2.gz WGPRTZITKDQDNT-QGZVFWFLSA-N -1 1 298.338 3.288 20 0 CGADMM CC[C@@H](Oc1cc([O-])ccc1C(=O)COC)C(C)(C)C ZINC001227169031 817578781 /nfs/dbraw/zinc/57/87/81/817578781.db2.gz OZAXRGIQEKRJIN-OAHLLOKOSA-N -1 1 280.364 3.425 20 0 CGADMM [O-]c1cc(Cl)c(OC[C@H]2CCCO2)cc1Cl ZINC001227641895 817687593 /nfs/dbraw/zinc/68/75/93/817687593.db2.gz TZNCAWXQOZUIQV-SSDOTTSWSA-N -1 1 263.120 3.257 20 0 CGADMM CSc1nc(O[C@@H](C)c2ccccc2F)cc(=O)[n-]1 ZINC001228090100 817807839 /nfs/dbraw/zinc/80/78/39/817807839.db2.gz IUZIIVROGDQQFO-QMMMGPOBSA-N -1 1 280.324 3.183 20 0 CGADMM CCC[C@@H](C)Oc1cccnc1-c1ncccc1[O-] ZINC001231200636 818056136 /nfs/dbraw/zinc/05/61/36/818056136.db2.gz QRDMUZNOKFACJR-LLVKDONJSA-N -1 1 258.321 3.417 20 0 CGADMM CCC[C@H](C)Oc1cccnc1-c1ncccc1[O-] ZINC001231200637 818056610 /nfs/dbraw/zinc/05/66/10/818056610.db2.gz QRDMUZNOKFACJR-NSHDSACASA-N -1 1 258.321 3.417 20 0 CGADMM C[C@@]1(F)CCCCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC001231462426 818103244 /nfs/dbraw/zinc/10/32/44/818103244.db2.gz JYMRWYPIBDDYRV-CYBMUJFWSA-N -1 1 271.357 3.160 20 0 CGADMM [O-]c1cc(CN2CCC[C@@H]2c2cnccn2)ccc1Cl ZINC001231733799 818161639 /nfs/dbraw/zinc/16/16/39/818161639.db2.gz HXHITZWEUBIBHF-CQSZACIVSA-N -1 1 289.766 3.173 20 0 CGADMM Cc1nc2c(s1)CN(Cc1cccc([O-])c1Cl)C2 ZINC001232789899 818440631 /nfs/dbraw/zinc/44/06/31/818440631.db2.gz WQGUSMKAASLJSM-UHFFFAOYSA-N -1 1 280.780 3.326 20 0 CGADMM CCN(Cc1ccncc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232968015 818486194 /nfs/dbraw/zinc/48/61/94/818486194.db2.gz DWZAXGRJQADLEV-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM C[C@@]1(CF)CC(F)(F)CN1Cc1cc([O-])c(F)c(F)c1 ZINC001232970793 818486859 /nfs/dbraw/zinc/48/68/59/818486859.db2.gz NJUZWHXJUNEFLP-LBPRGKRZSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cc(CN2CC3(C2)CCCC3)cc(F)c1F ZINC001232971031 818487212 /nfs/dbraw/zinc/48/72/12/818487212.db2.gz RIXNDWGVPPZMPZ-UHFFFAOYSA-N -1 1 253.292 3.046 20 0 CGADMM [O-]c1cc(CN2CCC[C@@H]2c2ccncc2)cc(F)c1F ZINC001232970538 818488663 /nfs/dbraw/zinc/48/86/63/818488663.db2.gz GAPPNCFNNUFGLA-CQSZACIVSA-N -1 1 290.313 3.403 20 0 CGADMM [O-]c1cc(CN2CCOC3(CCCCC3)C2)cc(F)c1F ZINC001232975706 818490697 /nfs/dbraw/zinc/49/06/97/818490697.db2.gz MGOYWHNEQPDMBN-UHFFFAOYSA-N -1 1 297.345 3.206 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCC[C@@H]1c1ccncc1 ZINC001233036302 818504261 /nfs/dbraw/zinc/50/42/61/818504261.db2.gz OHYPLZVZOHMEOG-CYBMUJFWSA-N -1 1 289.766 3.173 20 0 CGADMM CN(Cc1ccccc1F)Cc1cc(Cl)ncc1[O-] ZINC001233036783 818504905 /nfs/dbraw/zinc/50/49/05/818504905.db2.gz VXCQTZKFRABEOF-UHFFFAOYSA-N -1 1 280.730 3.212 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@H](CC)C(=O)OCC ZINC001233649911 818669755 /nfs/dbraw/zinc/66/97/55/818669755.db2.gz FVGMOMHKJXTGDC-CQSZACIVSA-N -1 1 294.347 3.096 20 0 CGADMM COC(=O)c1ccc(-c2ccc([O-])c(F)c2F)cc1OC ZINC001243341693 823356470 /nfs/dbraw/zinc/35/64/70/823356470.db2.gz BTCDYCTVWQHYIZ-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM COc1cc(-c2ccc([O-])c(F)c2F)cnc1C ZINC001243342524 823356837 /nfs/dbraw/zinc/35/68/37/823356837.db2.gz QBFKJCAXXFVERY-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM [O-]c1ccc(-c2cccc(N3CCOCC3)c2)c(F)c1F ZINC001243343066 823358594 /nfs/dbraw/zinc/35/85/94/823358594.db2.gz VSOSUUSAVQRPFB-UHFFFAOYSA-N -1 1 291.297 3.174 20 0 CGADMM O=C(Cc1ccc(OC2CC2)cc1)c1ccc([O-])cc1 ZINC001233940182 818736572 /nfs/dbraw/zinc/73/65/72/818736572.db2.gz BYXVLZDWRJSOCA-UHFFFAOYSA-N -1 1 268.312 3.359 20 0 CGADMM O=C([O-])c1c(Cl)ccc(-c2cncc3nc[nH]c32)c1F ZINC001236158449 819349552 /nfs/dbraw/zinc/34/95/52/819349552.db2.gz NYLMYPGENOBQOK-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM O=C([O-])c1c(Cl)ccc(-c2cncc3[nH]cnc32)c1F ZINC001236158449 819349560 /nfs/dbraw/zinc/34/95/60/819349560.db2.gz NYLMYPGENOBQOK-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM Cc1ccc(F)c(-c2cc(C(C)C)nc(N(C)C)n2)c1[O-] ZINC001236394086 819448514 /nfs/dbraw/zinc/44/85/14/819448514.db2.gz VWGUMLUIZOOUHY-UHFFFAOYSA-N -1 1 289.354 3.486 20 0 CGADMM Cc1ccc(F)c(-c2ncnc3c2SCCC3)c1[O-] ZINC001236393981 819448527 /nfs/dbraw/zinc/44/85/27/819448527.db2.gz ZJJPYKFXXLIOMT-UHFFFAOYSA-N -1 1 276.336 3.335 20 0 CGADMM Cc1cc(-c2c(F)ccc(C)c2[O-])nc2[nH]cnc21 ZINC001236392596 819448848 /nfs/dbraw/zinc/44/88/48/819448848.db2.gz URPJCAFXCFULFU-UHFFFAOYSA-N -1 1 257.268 3.086 20 0 CGADMM Cc1ccc(F)c(-c2cc(-c3ccncc3)ncn2)c1[O-] ZINC001236394096 819449040 /nfs/dbraw/zinc/44/90/40/819449040.db2.gz WBUIFBHTTAAQFV-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM CC(=O)Nc1ccc(F)cc1-c1cc(F)cc(F)c1[O-] ZINC001243502674 823421901 /nfs/dbraw/zinc/42/19/01/823421901.db2.gz NOTBXTDFOXSVNW-UHFFFAOYSA-N -1 1 281.233 3.435 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cc(N2CCCC2)ccn1 ZINC001243504397 823422416 /nfs/dbraw/zinc/42/24/16/823422416.db2.gz QPBNGYXTCCZWNX-UHFFFAOYSA-N -1 1 276.286 3.333 20 0 CGADMM COc1ccc(-c2cc(F)cc(F)c2[O-])c(OC)c1OC ZINC001243505106 823423312 /nfs/dbraw/zinc/42/33/12/823423312.db2.gz CNSHCLIJSJUGBV-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM CCOc1cncc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243506351 823423916 /nfs/dbraw/zinc/42/39/16/823423916.db2.gz TXKSRUIDCFQWPW-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM C[N@H+](Cc1ccsc1)Cc1sc(=O)[nH]c1Cl ZINC001237150864 819679551 /nfs/dbraw/zinc/67/95/51/819679551.db2.gz IVXNBGMMUQCQCN-UHFFFAOYSA-N -1 1 274.798 3.196 20 0 CGADMM [O-]c1c(F)cc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Cl ZINC001237992478 819905388 /nfs/dbraw/zinc/90/53/88/819905388.db2.gz KOXCYOGCVOPTRI-QXEWZRGKSA-N -1 1 273.710 3.117 20 0 CGADMM Cc1nc2ncc(-c3ccc(Cl)c([O-])c3)nc2s1 ZINC001243576158 823451206 /nfs/dbraw/zinc/45/12/06/823451206.db2.gz IIJYNFPZRNFAJO-UHFFFAOYSA-N -1 1 277.736 3.421 20 0 CGADMM Cc1cc2c(ncnc2-c2ccc(Cl)c([O-])c2)[nH]1 ZINC001243577143 823452337 /nfs/dbraw/zinc/45/23/37/823452337.db2.gz VCEUWMUHVNARAT-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM CN1Cc2cc(-c3ccc(Cl)c([O-])c3)ccc2C1=O ZINC001243581025 823453667 /nfs/dbraw/zinc/45/36/67/823453667.db2.gz JJMUQBJFGFLLLP-UHFFFAOYSA-N -1 1 273.719 3.298 20 0 CGADMM O=C1NCc2cc(-c3ccc(Cl)c([O-])c3)ccc2N1 ZINC001243580400 823453722 /nfs/dbraw/zinc/45/37/22/823453722.db2.gz CBNLHGKHVOXRSG-UHFFFAOYSA-N -1 1 274.707 3.348 20 0 CGADMM CC(=O)Nc1ccc(-c2ccc(Cl)c([O-])c2)nc1 ZINC001243579827 823452970 /nfs/dbraw/zinc/45/29/70/823452970.db2.gz ZGOLKMXRGSFFDW-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM [O-]c1cc(-c2cc(O[C@H]3CCOC3)ccn2)ccc1Cl ZINC001243581613 823454209 /nfs/dbraw/zinc/45/42/09/823454209.db2.gz KFTCVKSPBKRELT-LBPRGKRZSA-N -1 1 291.734 3.275 20 0 CGADMM Cc1nc2cc(-c3ccc(Cl)c([O-])c3)ccn2n1 ZINC001243581754 823454393 /nfs/dbraw/zinc/45/43/93/823454393.db2.gz HFKDMMIACUZRRL-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM O=c1c(-c2ccc(Cl)c([O-])c2)cccn1-c1cccnc1 ZINC001243581084 823454446 /nfs/dbraw/zinc/45/44/46/823454446.db2.gz AQUDDNLJWYYMHT-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM O=c1cc(-c2ccc(Cl)c([O-])c2)cnn1-c1ccccc1 ZINC001243584621 823456090 /nfs/dbraw/zinc/45/60/90/823456090.db2.gz UTWRJCCEKFECLG-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1ncnc2[nH]ccc21 ZINC001243604267 823463710 /nfs/dbraw/zinc/46/37/10/823463710.db2.gz AIKQSIUOGPMDIB-UHFFFAOYSA-N -1 1 279.221 3.301 20 0 CGADMM CCOc1nccc(-c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001243607706 823465975 /nfs/dbraw/zinc/46/59/75/823465975.db2.gz QLJFDMZSQRINDU-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM CC(C)c1ccccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001239867508 820671730 /nfs/dbraw/zinc/67/17/30/820671730.db2.gz JIDDRXXOGSABGO-UHFFFAOYSA-N -1 1 276.272 3.280 20 0 CGADMM CC(C)c1ccccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001239867508 820671732 /nfs/dbraw/zinc/67/17/32/820671732.db2.gz JIDDRXXOGSABGO-UHFFFAOYSA-N -1 1 276.272 3.280 20 0 CGADMM [O-]c1ccc(-c2cncc(C(F)(F)F)n2)cc1F ZINC001240782788 821321558 /nfs/dbraw/zinc/32/15/58/821321558.db2.gz JKNBYDPEYBMSMX-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM [O-]c1ccc(-c2ccc(-c3ccncc3)nn2)cc1F ZINC001240786680 821326000 /nfs/dbraw/zinc/32/60/00/821326000.db2.gz ZOHYAPMEJJBIQR-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM O=c1c(-c2ccc([O-])c(F)c2)cccn1-c1ccccc1F ZINC001240790934 821334390 /nfs/dbraw/zinc/33/43/90/821334390.db2.gz RAYKEZXLTMZHCB-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM CN(Cc1ccc(-c2ccc(C(=O)[O-])s2)nc1)C1CC1 ZINC001240845644 821366044 /nfs/dbraw/zinc/36/60/44/821366044.db2.gz DDASRQMHADIPFC-UHFFFAOYSA-N -1 1 288.372 3.103 20 0 CGADMM Cc1ccc(-c2nccc(-c3cccnc3)n2)c([O-])c1 ZINC001241030563 821506784 /nfs/dbraw/zinc/50/67/84/821506784.db2.gz MFXSIXSXGJYZDG-UHFFFAOYSA-N -1 1 263.300 3.220 20 0 CGADMM Cc1ccc(-c2ncc3ncn(C(C)C)c3n2)c([O-])c1 ZINC001241036372 821511822 /nfs/dbraw/zinc/51/18/22/821511822.db2.gz WCSOTCJQELYIIY-UHFFFAOYSA-N -1 1 268.320 3.088 20 0 CGADMM [O-]c1cc(F)c(-c2nncc3cc(F)ccc32)c(F)c1 ZINC001241118125 821573206 /nfs/dbraw/zinc/57/32/06/821573206.db2.gz IOSODCGEYCRJBJ-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM CCOC(=O)c1cc(C)cnc1-c1c(F)cc([O-])cc1F ZINC001241118663 821574917 /nfs/dbraw/zinc/57/49/17/821574917.db2.gz UERPBIFTSGDJPE-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)c(F)c1 ZINC001241119380 821574955 /nfs/dbraw/zinc/57/49/55/821574955.db2.gz KRYQSJIUIPPEFV-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3ncsc3n2)c(F)c1 ZINC001241120231 821575646 /nfs/dbraw/zinc/57/56/46/821575646.db2.gz NNTCHKPHMMDLLE-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM Cc1cc2[nH]ccc2c(-c2ccc(C(=O)[O-])c(F)c2)n1 ZINC001241184077 821621808 /nfs/dbraw/zinc/62/18/08/821621808.db2.gz PICMXTFIWGFHGI-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM Cc1cc(-c2c(F)ccc([O-])c2F)nc(-c2ccccn2)n1 ZINC001241289923 821706100 /nfs/dbraw/zinc/70/61/00/821706100.db2.gz GFACYJWRQZNDKD-UHFFFAOYSA-N -1 1 299.280 3.498 20 0 CGADMM CC(C)c1cc(-c2c(F)ccc([O-])c2F)nc(N(C)C)n1 ZINC001241289983 821706481 /nfs/dbraw/zinc/70/64/81/821706481.db2.gz IAEGFVFAJNFMTI-UHFFFAOYSA-N -1 1 293.317 3.317 20 0 CGADMM CCOC(=O)c1cnc(-c2c(F)ccc([O-])c2F)c(C)c1 ZINC001241291456 821707709 /nfs/dbraw/zinc/70/77/09/821707709.db2.gz LLLRXRQRYJIIFD-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM Cc1cc2c(c(/C=C/c3ccc(Cl)cc3)n1)C(=O)[N-]C2=O ZINC001241586490 821972581 /nfs/dbraw/zinc/97/25/81/821972581.db2.gz CGCANCCCUVIGOW-QPJJXVBHSA-N -1 1 298.729 3.097 20 0 CGADMM CC(C)c1cccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001241741356 822117130 /nfs/dbraw/zinc/11/71/30/822117130.db2.gz YRSWUOJTPVPZJX-UHFFFAOYSA-N -1 1 279.339 3.290 20 0 CGADMM COC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2[O-])nc1 ZINC001242126189 822887100 /nfs/dbraw/zinc/88/71/00/822887100.db2.gz JNBPBSRJQZTFLJ-UHFFFAOYSA-N -1 1 297.232 3.260 20 0 CGADMM Nc1cccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242131094 822888333 /nfs/dbraw/zinc/88/83/33/822888333.db2.gz BANBGMCNSPIAHI-UHFFFAOYSA-N -1 1 254.211 3.055 20 0 CGADMM [O-]c1cc(F)ccc1-c1ccc(C(F)(F)F)n2ncnc12 ZINC001242221089 822917061 /nfs/dbraw/zinc/91/70/61/822917061.db2.gz JKABXFTYBUPNFA-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM CCOC(=O)c1ccc(OC)c(-c2ccc(F)cc2[O-])c1 ZINC001242222614 822917434 /nfs/dbraw/zinc/91/74/34/822917434.db2.gz ZMXKSSUKFAIBHN-UHFFFAOYSA-N -1 1 290.290 3.384 20 0 CGADMM CC(C)C1=NCCc2ccc(-c3ccc(C(=O)[O-])nc3)cc21 ZINC001242338292 822955087 /nfs/dbraw/zinc/95/50/87/822955087.db2.gz SRGAURNPQKWANW-UHFFFAOYSA-N -1 1 294.354 3.448 20 0 CGADMM CS(=O)(=O)Nc1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242366423 822968702 /nfs/dbraw/zinc/96/87/02/822968702.db2.gz LZFCHFCEIDHNAF-UHFFFAOYSA-N -1 1 297.763 3.084 20 0 CGADMM Cc1cc(C(N)=O)cc(C)c1-c1cccc(Cl)c1[O-] ZINC001242366153 822969095 /nfs/dbraw/zinc/96/90/95/822969095.db2.gz QGDKWDMQQDZCPN-UHFFFAOYSA-N -1 1 275.735 3.428 20 0 CGADMM O=C1CCCN1c1ccc(-c2cccc(Cl)c2[O-])cn1 ZINC001242366810 822969363 /nfs/dbraw/zinc/96/93/63/822969363.db2.gz FNGJTSMQPCSJDI-UHFFFAOYSA-N -1 1 288.734 3.234 20 0 CGADMM Cc1ccc(S(C)(=O)=O)cc1-c1cccc(Cl)c1[O-] ZINC001242367747 822969836 /nfs/dbraw/zinc/96/98/36/822969836.db2.gz REAHZMMYWYIHMW-UHFFFAOYSA-N -1 1 296.775 3.425 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccn(C(C)C)n3)cc2[n-]1 ZINC001242455953 822998308 /nfs/dbraw/zinc/99/83/08/822998308.db2.gz NYJSIHFCKPFPRK-UHFFFAOYSA-N -1 1 298.346 3.184 20 0 CGADMM CCN(CC(=O)[O-])Cc1ccc(-c2ccccc2)s1 ZINC001350598771 936995176 /nfs/dbraw/zinc/99/51/76/936995176.db2.gz CAFWAZIKPOTISQ-UHFFFAOYSA-N -1 1 275.373 3.322 20 0 CGADMM CCCc1cc(C(=O)[N-]c2c(F)cccc2F)no1 ZINC001351532394 937019273 /nfs/dbraw/zinc/01/92/73/937019273.db2.gz QXGOTEGEBLXADL-UHFFFAOYSA-N -1 1 266.247 3.158 20 0 CGADMM O=C(NC1(c2ccccc2F)CC1)c1ccc(F)c([O-])c1 ZINC001147216901 928209907 /nfs/dbraw/zinc/20/99/07/928209907.db2.gz DFJGUUQXOHUHLS-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001364510741 937233281 /nfs/dbraw/zinc/23/32/81/937233281.db2.gz BVPNITNLRXGLHZ-LLVKDONJSA-N -1 1 287.363 3.056 20 0 CGADMM CCC[C@H](CC)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001418712490 937246303 /nfs/dbraw/zinc/24/63/03/937246303.db2.gz CFMKDYDVKUGORO-LBPRGKRZSA-N -1 1 287.363 3.343 20 0 CGADMM CCCCC1CCC(C(=O)Nc2c[n-][nH]c2=O)CC1 ZINC001457818211 928593719 /nfs/dbraw/zinc/59/37/19/928593719.db2.gz ACLZZHQJNCPIFC-UHFFFAOYSA-N -1 1 265.357 3.050 20 0 CGADMM CC(C)C[C@@H](NC(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001440794051 937333789 /nfs/dbraw/zinc/33/37/89/937333789.db2.gz ZLDRUXZAWGBSNP-MRXNPFEDSA-N -1 1 284.359 3.304 20 0 CGADMM C[C@H]1CCC[C@H](C)C1NC(=O)c1ncc2ccccc2c1[O-] ZINC001449282392 937378972 /nfs/dbraw/zinc/37/89/72/937378972.db2.gz YREIDESKZVLCKQ-RYUDHWBXSA-N -1 1 298.386 3.495 20 0 CGADMM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(F)c1[O-] ZINC001454758852 937411991 /nfs/dbraw/zinc/41/19/91/937411991.db2.gz RWKIWJWTQQPILN-JTQLQIEISA-N -1 1 291.297 3.488 20 0 CGADMM O=C(/C=C/C1CCCC1)NCCc1c(F)cc([O-])cc1F ZINC001456193198 937427663 /nfs/dbraw/zinc/42/76/63/937427663.db2.gz ILEBVBHXOZDGNV-AATRIKPKSA-N -1 1 295.329 3.076 20 0 CGADMM Cc1cnc(SCc2nc(C)c3ccccc3n2)[n-]c1=O ZINC001459094876 937479759 /nfs/dbraw/zinc/47/97/59/937479759.db2.gz QFVAGPYYWHSDMA-UHFFFAOYSA-N -1 1 298.371 3.035 20 0 CGADMM CCOc1ccc([C@@H](C)Oc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001225764837 932039579 /nfs/dbraw/zinc/03/95/79/932039579.db2.gz HWAGEWBUSZLQJB-SECBINFHSA-N -1 1 292.360 3.010 20 0 CGADMM O=c1ccc2c(O[C@@H]3C[C@H]4CC[C@@H]3C4)cc([O-])cc2o1 ZINC001229135651 932102640 /nfs/dbraw/zinc/10/26/40/932102640.db2.gz PKXKDXLXLVXNNB-OPQQBVKSSA-N -1 1 272.300 3.066 20 0 CGADMM COc1cc2ccc(=O)oc2c(O[C@@H]2CCC[C@@H]2C)c1[O-] ZINC001229219879 932118265 /nfs/dbraw/zinc/11/82/65/932118265.db2.gz XVHIAIOKNQFEFF-GXSJLCMTSA-N -1 1 290.315 3.075 20 0 CGADMM [O-]c1cc(O[C@H]2CCCOC2)c(Cl)cc1Cl ZINC001229409120 932147236 /nfs/dbraw/zinc/14/72/36/932147236.db2.gz CLIXMTAVWPIDOQ-ZETCQYMHSA-N -1 1 263.120 3.257 20 0 CGADMM COC(=O)c1c[n-]c(O[C@@H](C)c2cc(Cl)ccc2C)n1 ZINC001230281949 932551503 /nfs/dbraw/zinc/55/15/03/932551503.db2.gz MAEHVHDFUHGNOE-VIFPVBQESA-N -1 1 294.738 3.298 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc2ccncc2s1 ZINC001306799529 932761132 /nfs/dbraw/zinc/76/11/32/932761132.db2.gz OTMPGSOKMSEBRV-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM COC(C)(C)[C@@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC001303922037 932835816 /nfs/dbraw/zinc/83/58/16/932835816.db2.gz YPECJSOQHCCFEW-LLVKDONJSA-N -1 1 287.359 3.089 20 0 CGADMM C[C@H]1CC[C@H](C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC001304012151 932839253 /nfs/dbraw/zinc/83/92/53/932839253.db2.gz HVLBRDUJMQVPLU-XYPYZODXSA-N -1 1 297.345 3.155 20 0 CGADMM O=C([N-]c1nc[nH]n1)c1sc2cccc(F)c2c1Cl ZINC001306334726 932879617 /nfs/dbraw/zinc/87/96/17/932879617.db2.gz ZGHDZRMIHFCURT-UHFFFAOYSA-N -1 1 296.714 3.064 20 0 CGADMM O=C(CCCc1ccc2ccccc2c1)Nc1c[n-][nH]c1=O ZINC001306847990 932890115 /nfs/dbraw/zinc/89/01/15/932890115.db2.gz IAABXRPPWHGDGA-UHFFFAOYSA-N -1 1 295.342 3.230 20 0 CGADMM Cc1cc(CSc2nc(C(F)F)cc(=O)[n-]2)sn1 ZINC001307351975 932942881 /nfs/dbraw/zinc/94/28/81/932942881.db2.gz AQWVGCFKSNTGHW-UHFFFAOYSA-N -1 1 289.332 3.177 20 0 CGADMM CCSCc1cc(C(=O)[N-]c2nocc2C2CC2)no1 ZINC001462557683 937650367 /nfs/dbraw/zinc/65/03/67/937650367.db2.gz VEDGKUQFRQNQDN-UHFFFAOYSA-N -1 1 293.348 3.045 20 0 CGADMM CC(C)C[C@@H](C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001312346028 933353170 /nfs/dbraw/zinc/35/31/70/933353170.db2.gz JOLNHXONXHMBGM-SNVBAGLBSA-N -1 1 284.787 3.279 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001463803907 937680966 /nfs/dbraw/zinc/68/09/66/937680966.db2.gz ANSJZHJJTCCTTR-MELADBBJSA-N -1 1 288.391 3.184 20 0 CGADMM CN(C(=O)c1cccc([O-])c1F)[C@H]1CCc2ccccc21 ZINC001463970200 937683796 /nfs/dbraw/zinc/68/37/96/937683796.db2.gz JHPIFSZDLGKNNO-AWEZNQCLSA-N -1 1 285.318 3.291 20 0 CGADMM Cc1ccccc1[C@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001465026947 937697361 /nfs/dbraw/zinc/69/73/61/937697361.db2.gz ZHVAKHFMIFINGB-OAHLLOKOSA-N -1 1 284.359 3.223 20 0 CGADMM CCN(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CCCC[C@@H]1C ZINC001464773192 937695093 /nfs/dbraw/zinc/69/50/93/937695093.db2.gz XHMQTUAAMLWAEK-WFASDCNBSA-N -1 1 289.375 3.002 20 0 CGADMM Cc1cccc(C)c1NC(=O)c1ccc(F)c([O-])c1 ZINC001465536187 937701535 /nfs/dbraw/zinc/70/15/35/937701535.db2.gz LXHWIWJKHPLNIF-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CC(C)(NC(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1 ZINC001466157000 937706876 /nfs/dbraw/zinc/70/68/76/937706876.db2.gz HMTPAOHUFMBYNL-UHFFFAOYSA-N -1 1 285.343 3.169 20 0 CGADMM C[C@@H]1C[C@@H](CCNC(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC001467637356 937720334 /nfs/dbraw/zinc/72/03/34/937720334.db2.gz ZOGKCCHCGVWKAX-CHWSQXEVSA-N -1 1 290.407 3.370 20 0 CGADMM O=C(NCC(F)(F)c1ccccc1)c1ccc(F)c([O-])c1 ZINC001468629822 937730343 /nfs/dbraw/zinc/73/03/43/937730343.db2.gz VGZYUETZDJLDRX-UHFFFAOYSA-N -1 1 295.260 3.053 20 0 CGADMM CC(NC(=O)c1ncc2ccccc2c1[O-])(C1CC1)C1CC1 ZINC001470357580 937751926 /nfs/dbraw/zinc/75/19/26/937751926.db2.gz QPVTZSYZOUPDEU-UHFFFAOYSA-N -1 1 296.370 3.249 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccc(-c2c[nH]cn2)cc1 ZINC001471167704 937762073 /nfs/dbraw/zinc/76/20/73/937762073.db2.gz HKRBAERGYVCZLR-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C(CCOCc1ccccc1)Nc1cccc(F)c1[O-] ZINC001471166396 937762105 /nfs/dbraw/zinc/76/21/05/937762105.db2.gz IOORMNCBMWIXCF-UHFFFAOYSA-N -1 1 289.306 3.077 20 0 CGADMM O=C(Cc1cccc2cccnc21)Nc1cccc(F)c1[O-] ZINC001471167130 937762125 /nfs/dbraw/zinc/76/21/25/937762125.db2.gz YTOFWZZAMGYTOB-UHFFFAOYSA-N -1 1 296.301 3.261 20 0 CGADMM C[C@H](C(=O)Nc1cccc(F)c1[O-])c1cccc(F)c1 ZINC001471166988 937762170 /nfs/dbraw/zinc/76/21/70/937762170.db2.gz VNCJPMRYYYNWDU-VIFPVBQESA-N -1 1 277.270 3.413 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CC2CCC1CC2 ZINC001471700505 937768257 /nfs/dbraw/zinc/76/82/57/937768257.db2.gz XZIHZJMGHNDYNE-KGPNIALWSA-N -1 1 293.794 3.488 20 0 CGADMM CCC(CC)[C@@H](C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC001472040850 937772039 /nfs/dbraw/zinc/77/20/39/937772039.db2.gz BDUZRSRIGWYEBO-SNVBAGLBSA-N -1 1 299.361 3.401 20 0 CGADMM CCCc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)n[nH]1 ZINC001472193356 937773688 /nfs/dbraw/zinc/77/36/88/937773688.db2.gz WVHRLSPPCYEATE-UHFFFAOYSA-N -1 1 297.717 3.113 20 0 CGADMM Cc1cccc([C@H](C)C(=O)[N-]OCCOc2ccccc2)c1 ZINC001472341263 937775391 /nfs/dbraw/zinc/77/53/91/937775391.db2.gz OSESUHIUXOAZFQ-HNNXBMFYSA-N -1 1 299.370 3.225 20 0 CGADMM O=C(NC[C@@H]1C[C@@H]1Cc1ccccc1)c1ccc(F)c([O-])c1 ZINC001472374156 937775897 /nfs/dbraw/zinc/77/58/97/937775897.db2.gz MOMQDYZMFPVKDZ-GJZGRUSLSA-N -1 1 299.345 3.140 20 0 CGADMM CC(C)(C)C1CC(C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC001472546822 937777718 /nfs/dbraw/zinc/77/77/18/937777718.db2.gz QOUSOPLELPNRKH-UHFFFAOYSA-N -1 1 282.771 3.451 20 0 CGADMM CN(CCC(F)(F)F)[C@H](C(=O)[O-])c1ccccc1Cl ZINC001326548386 934989436 /nfs/dbraw/zinc/98/94/36/934989436.db2.gz WEHHSGQVUCKHPR-JTQLQIEISA-N -1 1 295.688 3.350 20 0 CGADMM Cc1oc(C(C)C)nc1C(=O)[N-]c1c(F)ccnc1F ZINC001332449462 935470952 /nfs/dbraw/zinc/47/09/52/935470952.db2.gz JAYGWGLWKYBWHR-UHFFFAOYSA-N -1 1 281.262 3.032 20 0 CGADMM CCc1ccc(CN[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001334778668 936113881 /nfs/dbraw/zinc/11/38/81/936113881.db2.gz ZPZRTNLHJBOMDC-MRXNPFEDSA-N -1 1 289.400 3.400 20 0 CGADMM C[C@H](CCC[C@@H](C)C(=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC001334827956 936117446 /nfs/dbraw/zinc/11/74/46/936117446.db2.gz NHJZVKMTHNTBQR-VXGBXAGGSA-N -1 1 296.411 3.341 20 0 CGADMM CC(C)C[C@@H](C)CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001528204712 938066179 /nfs/dbraw/zinc/06/61/79/938066179.db2.gz BCJCTXSQSDPCBP-LLVKDONJSA-N -1 1 291.395 3.072 20 0 CGADMM COc1cccc(SC)c1[N-]C(=O)c1nccs1 ZINC001536566915 938105483 /nfs/dbraw/zinc/10/54/83/938105483.db2.gz OMGKAPQVVYIJSO-UHFFFAOYSA-N -1 1 280.374 3.126 20 0 CGADMM O=C(NCC1(c2ccccc2)CCC1)c1cc(F)ccc1[O-] ZINC001540636593 938132748 /nfs/dbraw/zinc/13/27/48/938132748.db2.gz HJLMYHMYDHYHRZ-UHFFFAOYSA-N -1 1 299.345 3.383 20 0 CGADMM CCc1ccc(CNC(=O)c2cccc([O-])c2F)s1 ZINC001540976728 938134373 /nfs/dbraw/zinc/13/43/73/938134373.db2.gz IZSLQYHTYAPZOG-UHFFFAOYSA-N -1 1 279.336 3.085 20 0 CGADMM CC[C@@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1[O-] ZINC001542777727 938136983 /nfs/dbraw/zinc/13/69/83/938136983.db2.gz JETKAAMALMWOTN-AWEZNQCLSA-N -1 1 287.334 3.282 20 0 CGADMM CC(C)(NC(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001544469203 938145225 /nfs/dbraw/zinc/14/52/25/938145225.db2.gz YJMDAMMPOCQNFV-UHFFFAOYSA-N -1 1 273.307 3.196 20 0 CGADMM CC(C)(C)[C@H]1CCCN1C(=O)c1cccc([O-])c1F ZINC001545100416 938148638 /nfs/dbraw/zinc/14/86/38/938148638.db2.gz URHQUZWSNQCYFO-GFCCVEGCSA-N -1 1 265.328 3.182 20 0 CGADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc([O-])cc1F ZINC001545099804 938148694 /nfs/dbraw/zinc/14/86/94/938148694.db2.gz DQVUERUWHHNDIY-ZDUSSCGKSA-N -1 1 265.328 3.182 20 0 CGADMM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cccc([O-])c1F ZINC001556847635 938206141 /nfs/dbraw/zinc/20/61/41/938206141.db2.gz MUJPGBIOXYNADN-VXGBXAGGSA-N -1 1 295.354 3.361 20 0 CGADMM Cc1ccccc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001557086133 938207763 /nfs/dbraw/zinc/20/77/63/938207763.db2.gz IKRCSXKKBOLGAL-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM Cc1ccccc1CC(=O)Nc1cccc(F)c1[O-] ZINC001557956527 938212739 /nfs/dbraw/zinc/21/27/39/938212739.db2.gz MWLYRABGPXTICC-UHFFFAOYSA-N -1 1 259.280 3.021 20 0 CGADMM CC1(C)C[C@]1(C)CNC(=O)c1ncc2ccccc2c1[O-] ZINC001558145055 938213836 /nfs/dbraw/zinc/21/38/36/938213836.db2.gz ORJYDBQIFOTTPN-QGZVFWFLSA-N -1 1 284.359 3.106 20 0 CGADMM CC1(C)C[C@]1(C)CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001558143593 938213854 /nfs/dbraw/zinc/21/38/54/938213854.db2.gz BMNXHYZYSRCDEE-GOSISDBHSA-N -1 1 299.370 3.417 20 0 CGADMM Cc1cc([C@H](C)NCc2cccc(C(=O)[O-])c2)oc1C ZINC001594289777 957819594 /nfs/dbraw/zinc/81/95/94/957819594.db2.gz CHPQUIQUTYDTAO-NSHDSACASA-N -1 1 273.332 3.445 20 0 CGADMM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc([O-])cn1 ZINC001565660714 960798116 /nfs/dbraw/zinc/79/81/16/960798116.db2.gz FRENIUOYRSXWSB-CYBMUJFWSA-N -1 1 284.359 3.228 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H]1c1cccc(F)c1 ZINC001566079271 960884535 /nfs/dbraw/zinc/88/45/35/960884535.db2.gz NOFCAQOOHMQTLO-OAHLLOKOSA-N -1 1 289.281 3.258 20 0 CGADMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cc(F)ccc1[O-] ZINC001566146795 960887147 /nfs/dbraw/zinc/88/71/47/960887147.db2.gz FSZBSHVLQREYGP-OCCSQVGLSA-N -1 1 277.339 3.230 20 0 CGADMM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cn1 ZINC001566318430 960920401 /nfs/dbraw/zinc/92/04/01/960920401.db2.gz BSEJFJSCMGNHGH-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM CCc1ccc(C(=O)Nc2ccc3nc(C)[nH]c3c2)c(O)c1 ZINC001566328723 960921712 /nfs/dbraw/zinc/92/17/12/960921712.db2.gz BOYRILKSLQBWAV-UHFFFAOYSA-N -1 1 295.342 3.392 20 0 CGADMM Cc1ccc(CC(=O)Nc2ccc([O-])c(F)c2F)s1 ZINC001569010702 961661280 /nfs/dbraw/zinc/66/12/80/961661280.db2.gz KEASDZUTZHBDIX-UHFFFAOYSA-N -1 1 283.299 3.222 20 0 CGADMM Cc1ccc(CC(=O)Nc2ccc([O-])c(F)c2F)cc1C ZINC001569010542 961663489 /nfs/dbraw/zinc/66/34/89/961663489.db2.gz CZQDCVAYDKWGAX-UHFFFAOYSA-N -1 1 291.297 3.468 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C1(c2ccccc2)CC1 ZINC001570099916 961904790 /nfs/dbraw/zinc/90/47/90/961904790.db2.gz IZLAUIJJNRWPDI-UHFFFAOYSA-N -1 1 289.281 3.341 20 0 CGADMM C[C@H]1CCCC[C@]1(C)NC(=O)c1cccc([O-])c1F ZINC001570095545 961905382 /nfs/dbraw/zinc/90/53/82/961905382.db2.gz UIILYDVXXCKIRP-BONVTDFDSA-N -1 1 265.328 3.230 20 0 CGADMM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001570159021 961911895 /nfs/dbraw/zinc/91/18/95/961911895.db2.gz PHNGHDORMSODHH-DYVFJYSZSA-N -1 1 284.359 3.105 20 0 CGADMM O=C([N-]c1nocc1C1CC1)c1cc(-c2ccccc2)no1 ZINC001583703023 962852655 /nfs/dbraw/zinc/85/26/55/962852655.db2.gz FJYOZSJNTZYMNZ-UHFFFAOYSA-N -1 1 295.298 3.459 20 0 CGADMM Cc1ccc2c(c1)CN(C(=O)c1ccc(F)c([O-])c1)CC2 ZINC001583897121 962868621 /nfs/dbraw/zinc/86/86/21/962868621.db2.gz IFTRAWDVQRCVBO-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM CC[C@]1(C)CCCN(C(=O)c2cc(C)cc(C=O)c2[O-])C1 ZINC001586828106 963141715 /nfs/dbraw/zinc/14/17/15/963141715.db2.gz NANXDTBMFFIOCO-QGZVFWFLSA-N -1 1 289.375 3.165 20 0 CGADMM Cc1nc2c(cccc2[N-]C(=O)c2ocnc2C(F)F)o1 ZINC001587342886 963187332 /nfs/dbraw/zinc/18/73/32/963187332.db2.gz IRSARHYLWKDVGQ-UHFFFAOYSA-N -1 1 293.229 3.314 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cc(CC3CC3)[nH]n2)c([O-])c1 ZINC001587901473 963232367 /nfs/dbraw/zinc/23/23/67/963232367.db2.gz AORRHYDTQIGVCA-UHFFFAOYSA-N -1 1 299.374 3.444 20 0 CGADMM CC[C@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)CCCO1 ZINC001595490043 981240485 /nfs/dbraw/zinc/24/04/85/981240485.db2.gz YXOCCANJTATIDR-ZDUSSCGKSA-N -1 1 297.782 3.039 20 0 CGADMM CCCC[C@@H](N[C@H](CC)c1nc(C)cs1)C(=O)[O-] ZINC001595637936 981938061 /nfs/dbraw/zinc/93/80/61/981938061.db2.gz YYMAMYGEYNNGKJ-GHMZBOCLSA-N -1 1 270.398 3.136 20 0 CGADMM CCOc1cccc(Cl)c1CN(CCC(=O)[O-])C(C)C ZINC001597155594 986952469 /nfs/dbraw/zinc/95/24/69/986952469.db2.gz OORHGQAKUQBXOL-UHFFFAOYSA-N -1 1 299.798 3.424 20 0 CGADMM CCS[C@@H]1CCCCN([C@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001597258228 987266943 /nfs/dbraw/zinc/26/69/43/987266943.db2.gz ILTAXSLSDULRRJ-GHMZBOCLSA-N -1 1 298.408 3.041 20 0 CGADMM CC[C@H](NCc1ccoc1C(=O)[O-])c1ccccc1F ZINC001597349319 987484810 /nfs/dbraw/zinc/48/48/10/987484810.db2.gz GEMQRAHKGPBABU-ZDUSSCGKSA-N -1 1 277.295 3.358 20 0 CGADMM CCc1cccc(CNCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC001597587004 988408133 /nfs/dbraw/zinc/40/81/33/988408133.db2.gz NKPIOHYZVZPVBA-CMDGGOBGSA-N -1 1 285.343 3.230 20 0 CGADMM CCc1oc(CN2CC(C)(C)[C@H]2C2CC2)cc1C(=O)[O-] ZINC001597796419 989354075 /nfs/dbraw/zinc/35/40/75/989354075.db2.gz ONAFEDQEWBFBMO-CQSZACIVSA-N -1 1 277.364 3.161 20 0 CGADMM CCc1oc(CNCc2c(C)cccc2C)cc1C(=O)[O-] ZINC001597805320 989412743 /nfs/dbraw/zinc/41/27/43/989412743.db2.gz DRNAHEMVPHZCEA-UHFFFAOYSA-N -1 1 287.359 3.447 20 0 CGADMM CC(C)(C)c1coc(CN[C@@]2(C)CCCC[C@@H]2C(=O)[O-])n1 ZINC001590526566 990135605 /nfs/dbraw/zinc/13/56/05/990135605.db2.gz CUXYTSMKTAUYTG-BZNIZROVSA-N -1 1 294.395 3.095 20 0 CGADMM CC(C)(N[C@H](C(=O)[O-])c1ccccc1)c1cccs1 ZINC001590866893 990763456 /nfs/dbraw/zinc/76/34/56/990763456.db2.gz GWDKJLGZXZOUSP-ZDUSSCGKSA-N -1 1 275.373 3.399 20 0 CGADMM CC(C)CN(Cc1ccoc1C(=O)[O-])Cc1ccccn1 ZINC001591344346 992330541 /nfs/dbraw/zinc/33/05/41/992330541.db2.gz YLRYIZJUQVKZFT-UHFFFAOYSA-N -1 1 288.347 3.031 20 0 CGADMM CN(Cc1cccn1C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598509269 992548606 /nfs/dbraw/zinc/54/86/06/992548606.db2.gz NABZNFHXQASHGU-UHFFFAOYSA-N -1 1 292.766 3.009 20 0 CGADMM CN(Cc1ccco1)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC001598532062 992793301 /nfs/dbraw/zinc/79/33/01/992793301.db2.gz MIGMSPLAKGYSSL-UHFFFAOYSA-N -1 1 284.315 3.091 20 0 CGADMM CN(Cc1cnc(C2CC2)s1)C1(C(=O)[O-])CCCCC1 ZINC001598532596 992801684 /nfs/dbraw/zinc/80/16/84/992801684.db2.gz BNMNMVGOCYLFNW-UHFFFAOYSA-N -1 1 294.420 3.240 20 0 CGADMM C[C@H](NCc1cccc(Cl)c1)c1cc(C(=O)[O-])co1 ZINC001593304516 994748114 /nfs/dbraw/zinc/74/81/14/994748114.db2.gz NCKBQNFOLWXCTC-VIFPVBQESA-N -1 1 279.723 3.482 20 0 CGADMM C[C@@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001593354723 994996373 /nfs/dbraw/zinc/99/63/73/994996373.db2.gz XOPPRTLULMHVIW-KXUCPTDWSA-N -1 1 282.409 3.317 20 0 CGADMM C[C@@H](c1ccccc1)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593713074 996218288 /nfs/dbraw/zinc/21/82/88/996218288.db2.gz BXSYDAFHFMWZMI-ZDUSSCGKSA-N -1 1 297.354 3.340 20 0 CGADMM COc1cc2[nH]c(-c3cc(C(=O)[O-])c(C)o3)nc2cc1C ZINC001599466823 998377300 /nfs/dbraw/zinc/37/73/00/998377300.db2.gz SVRCHIYRBLCYFK-UHFFFAOYSA-N -1 1 286.287 3.147 20 0 CGADMM CC[C@@H](C)[C@H](OC)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436869929 529425348 /nfs/dbraw/zinc/42/53/48/529425348.db2.gz CIHZWBGPTKWHOO-PELKAZGASA-N -1 1 280.299 3.315 20 0 CGADMM CC[C@@H]1C[C@@]1(NC(=O)c1cncc([O-])c1)c1cccc(C)c1 ZINC000355847848 529431653 /nfs/dbraw/zinc/43/16/53/529431653.db2.gz QGEZTMVSTZWLPZ-KDOFPFPSSA-N -1 1 296.370 3.151 20 0 CGADMM O=C(NCc1c(F)cccc1Cl)c1cc(F)ccc1[O-] ZINC000622297562 349669590 /nfs/dbraw/zinc/66/95/90/349669590.db2.gz CFARCDCVHJIPQE-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM O=C(NCc1ccc(Cl)cc1F)c1cc(F)ccc1[O-] ZINC000622525040 349685108 /nfs/dbraw/zinc/68/51/08/349685108.db2.gz PITBHDZFBLOLSK-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM CCc1ccc([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436668376 529704545 /nfs/dbraw/zinc/70/45/45/529704545.db2.gz XVCMOKGFAIGXSJ-GFCCVEGCSA-N -1 1 297.354 3.015 20 0 CGADMM CN(C)c1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000436687802 529774821 /nfs/dbraw/zinc/77/48/21/529774821.db2.gz JSDQTMBUXHEKRT-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM CC[C@@H](C)C[C@@H](NCc1cccc([O-])c1Cl)C(=O)OC ZINC000592517577 346994817 /nfs/dbraw/zinc/99/48/17/346994817.db2.gz UGSGLSWLYLSAOG-ZYHUDNBSSA-N -1 1 299.798 3.113 20 0 CGADMM CN(CC[C@@H]1CCCO1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436792605 529930889 /nfs/dbraw/zinc/93/08/89/529930889.db2.gz OFZRVDBZOTXMLC-HNNXBMFYSA-N -1 1 299.370 3.187 20 0 CGADMM Cc1cc2cc(NC(=O)c3ccccc3[O-])ccc2[nH]1 ZINC000029879584 344920744 /nfs/dbraw/zinc/92/07/44/344920744.db2.gz ZHNFPGVTQRRSDU-UHFFFAOYSA-N -1 1 266.300 3.434 20 0 CGADMM CC(C)N(CCC(=O)[O-])Cc1c(F)cccc1Cl ZINC000037596256 344951303 /nfs/dbraw/zinc/95/13/03/344951303.db2.gz NPADMEQIQRTFEP-UHFFFAOYSA-N -1 1 273.735 3.164 20 0 CGADMM C[C@H]1CCc2nc(NC(=O)c3ccccc3[O-])sc2C1 ZINC000045653019 345028383 /nfs/dbraw/zinc/02/83/83/345028383.db2.gz NILUSQHVZALSHM-VIFPVBQESA-N -1 1 288.372 3.226 20 0 CGADMM Cc1cc(CN(C)Cc2cccc(C)c2)oc1C(=O)[O-] ZINC000048871191 345069882 /nfs/dbraw/zinc/06/98/82/345069882.db2.gz WZCNPJAMVJXOEI-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM CCN(Cc1cccc(F)c1)C(=O)c1cc(F)ccc1[O-] ZINC000080000617 345661785 /nfs/dbraw/zinc/66/17/85/345661785.db2.gz IQZCSJOQYLBJAD-UHFFFAOYSA-N -1 1 291.297 3.333 20 0 CGADMM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084938722 345743557 /nfs/dbraw/zinc/74/35/57/345743557.db2.gz QQNKROAXVYBCSK-NSHDSACASA-N -1 1 281.377 3.003 20 0 CGADMM O=C([O-])C[C@H]1CCCN1Cc1cccc(Cl)c1Cl ZINC000086791087 345751195 /nfs/dbraw/zinc/75/11/95/345751195.db2.gz NKCRDZKQIFCDLK-SNVBAGLBSA-N -1 1 288.174 3.433 20 0 CGADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cc(Cl)ccc1Cl ZINC000092940723 345863409 /nfs/dbraw/zinc/86/34/09/345863409.db2.gz RWDHOVWFQZLWJX-GZMMTYOYSA-N -1 1 288.174 3.288 20 0 CGADMM COc1cccc(CN(C)Cc2ccsc2C(=O)[O-])c1 ZINC000110955773 345946990 /nfs/dbraw/zinc/94/69/90/345946990.db2.gz UYDCQDJWWXCQSO-UHFFFAOYSA-N -1 1 291.372 3.087 20 0 CGADMM CSC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000302292328 346441144 /nfs/dbraw/zinc/44/11/44/346441144.db2.gz HVFZMQFTXQNFQO-UHFFFAOYSA-N -1 1 285.796 3.013 20 0 CGADMM Cc1ccc(NCc2cccc([O-])c2Cl)cc1C(N)=O ZINC000339317146 215091441 /nfs/dbraw/zinc/09/14/41/215091441.db2.gz UTYLHVXEROSYIW-UHFFFAOYSA-N -1 1 290.750 3.065 20 0 CGADMM CCCCS[C@H](C)C(=O)Nc1cccc(F)c1[O-] ZINC000600444513 347800287 /nfs/dbraw/zinc/80/02/87/347800287.db2.gz HMFNUIARBQCWNH-SECBINFHSA-N -1 1 271.357 3.392 20 0 CGADMM CC(C)c1nc(=NCCCc2ccc(Cl)cc2)o[n-]1 ZINC000605693183 348166386 /nfs/dbraw/zinc/16/63/86/348166386.db2.gz ZRLIVADALVAWNP-UHFFFAOYSA-N -1 1 279.771 3.313 20 0 CGADMM C[C@@H]1CCC[C@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000608366790 348301476 /nfs/dbraw/zinc/30/14/76/348301476.db2.gz YYJVQRYDQXUJHE-ZJUUUORDSA-N -1 1 251.301 3.296 20 0 CGADMM O=C(N[C@@H](CC1CC1)c1ccccc1)c1cncc([O-])c1 ZINC000608470708 348310905 /nfs/dbraw/zinc/31/09/05/348310905.db2.gz FTWHMKNPVDGTLL-INIZCTEOSA-N -1 1 282.343 3.058 20 0 CGADMM CCc1c(C)[n-]n(-c2ncc(Cl)cc2Cl)c1=O ZINC000612373225 348513956 /nfs/dbraw/zinc/51/39/56/348513956.db2.gz XTTWQVQUSCAINX-QMMMGPOBSA-N -1 1 272.135 3.137 20 0 CGADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ncc2ccccc2c1[O-] ZINC000613237231 348578536 /nfs/dbraw/zinc/57/85/36/348578536.db2.gz XWLHHJNEGPBMJL-DGCLKSJQSA-N -1 1 284.359 3.344 20 0 CGADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613890792 348638795 /nfs/dbraw/zinc/63/87/95/348638795.db2.gz KTRAUUFGMPACDI-UPJWGTAASA-N -1 1 298.386 3.447 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC(C2CCC2)CC1 ZINC000617771260 349005752 /nfs/dbraw/zinc/00/57/52/349005752.db2.gz OGHXMPGZRVCVID-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM CCC[C@H](C(=O)Nc1c([O-])cccc1F)c1ccccn1 ZINC000618032575 349039453 /nfs/dbraw/zinc/03/94/53/349039453.db2.gz MOOVBMHUBIDZEB-NSHDSACASA-N -1 1 288.322 3.449 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](C2CCC2)C1 ZINC000620207131 349338620 /nfs/dbraw/zinc/33/86/20/349338620.db2.gz XXZWNYQHOSXWQE-LBPRGKRZSA-N -1 1 277.339 3.184 20 0 CGADMM COc1cc(C(=O)N[C@@H](C(C)C)C2CC2)cc(Cl)c1[O-] ZINC000620038066 349313115 /nfs/dbraw/zinc/31/31/15/349313115.db2.gz HQWLMAKMAUDEEI-ZDUSSCGKSA-N -1 1 297.782 3.219 20 0 CGADMM CCO[C@H](c1nc(-c2ccc([O-])cc2F)no1)C1CC1 ZINC000624576783 350066919 /nfs/dbraw/zinc/06/69/19/350066919.db2.gz RTOBFZRZPHIDLP-LBPRGKRZSA-N -1 1 278.283 3.069 20 0 CGADMM C[C@@H]1C[C@H](CNC(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000271284538 191049848 /nfs/dbraw/zinc/04/98/48/191049848.db2.gz ATXLYTOHADPUNH-CHWSQXEVSA-N -1 1 299.370 3.090 20 0 CGADMM CCCC1(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)CC1 ZINC000352196886 219355678 /nfs/dbraw/zinc/35/56/78/219355678.db2.gz HFTPRUBQEABOHQ-UHFFFAOYSA-N -1 1 275.377 3.079 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2ncccc2Cl)[n-]1 ZINC000629175840 350663315 /nfs/dbraw/zinc/66/33/15/350663315.db2.gz PEPSWYXFQPIWSD-UHFFFAOYSA-N -1 1 293.779 3.400 20 0 CGADMM CCc1nc(SC[C@H]2C[C@H]3C=C[C@@H]2C3)[n-]c(=O)c1C ZINC000629184656 350665187 /nfs/dbraw/zinc/66/51/87/350665187.db2.gz ROKGYPPILOCYRO-QJPTWQEYSA-N -1 1 276.405 3.357 20 0 CGADMM CCC(CC)CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629375676 350683303 /nfs/dbraw/zinc/68/33/03/350683303.db2.gz MBDVWYWYQCAYBK-UHFFFAOYSA-N -1 1 287.363 3.343 20 0 CGADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1=CCCCC1 ZINC000629378936 350684999 /nfs/dbraw/zinc/68/49/99/350684999.db2.gz LGCMXZTVORKOTE-UHFFFAOYSA-N -1 1 283.331 3.017 20 0 CGADMM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629379669 350685317 /nfs/dbraw/zinc/68/53/17/350685317.db2.gz HAPVEINRXSLRNR-YVEFUNNKSA-N -1 1 299.374 3.343 20 0 CGADMM C/C=C\C[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000629873620 350781661 /nfs/dbraw/zinc/78/16/61/350781661.db2.gz QKFNDQKPMDJREF-DLGQBQFBSA-N -1 1 277.339 3.350 20 0 CGADMM C[C@H]1C[C@H](C)CN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000630401944 350835081 /nfs/dbraw/zinc/83/50/81/350835081.db2.gz AJKJNRAVTUONLK-QWRGUYRKSA-N -1 1 281.783 3.093 20 0 CGADMM C[C@@H]1C[C@@H](C)CN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000630401940 350835367 /nfs/dbraw/zinc/83/53/67/350835367.db2.gz AJKJNRAVTUONLK-GHMZBOCLSA-N -1 1 281.783 3.093 20 0 CGADMM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631645899 351103899 /nfs/dbraw/zinc/10/38/99/351103899.db2.gz CREZFASKLACIES-DTWKUNHWSA-N -1 1 293.335 3.074 20 0 CGADMM CC[C@H]1CC[C@@H](C)N1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632281339 351190539 /nfs/dbraw/zinc/19/05/39/351190539.db2.gz XPIFGYXFQYIPPX-PWSUYJOCSA-N -1 1 281.783 3.378 20 0 CGADMM CCCC[C@@H](C)N(C)C(=O)c1ccc([O-])cc1F ZINC000291280334 197976708 /nfs/dbraw/zinc/97/67/08/197976708.db2.gz ONZLRSRAPQJSEE-SNVBAGLBSA-N -1 1 253.317 3.182 20 0 CGADMM CC(C)[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000633643835 351339038 /nfs/dbraw/zinc/33/90/38/351339038.db2.gz XAZYCPHMMBFROL-OAHLLOKOSA-N -1 1 281.783 3.139 20 0 CGADMM CSc1ccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)cc1 ZINC000634594153 351530109 /nfs/dbraw/zinc/53/01/09/351530109.db2.gz MNIGKKSITIGJGM-NOZJJQNGSA-N -1 1 260.362 3.157 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(F)c(Cl)c3)c(=O)c21 ZINC000634596760 351533654 /nfs/dbraw/zinc/53/36/54/351533654.db2.gz QDMDXHFEBRDDEM-JVXZTZIISA-N -1 1 266.703 3.228 20 0 CGADMM CCc1[n-]n(-c2ccncc2Cl)c(=O)c1C(C)C ZINC000634609001 351541381 /nfs/dbraw/zinc/54/13/81/351541381.db2.gz SYGTWGQTZTWXNV-GFCCVEGCSA-N -1 1 265.744 3.120 20 0 CGADMM CCc1c(C(C)C)[n-]n([C@@H](C)c2ccncc2)c1=O ZINC000634627298 351550037 /nfs/dbraw/zinc/55/00/37/351550037.db2.gz ZNFXAHCMUJHWMQ-WCQYABFASA-N -1 1 259.353 3.023 20 0 CGADMM Cc1ccc([C@@H]2CCCN2C(=O)c2cncc([O-])c2)cc1 ZINC000339885254 215379132 /nfs/dbraw/zinc/37/91/32/215379132.db2.gz QLUNSFDPUUBJLW-INIZCTEOSA-N -1 1 282.343 3.073 20 0 CGADMM Cc1cnc(C(=O)N(C)Cc2ccc(Cl)s2)c([O-])c1 ZINC000336479934 213351731 /nfs/dbraw/zinc/35/17/31/213351731.db2.gz PPNLEUICMWOYJT-UHFFFAOYSA-N -1 1 296.779 3.083 20 0 CGADMM Cc1ccccc1[C@H](NC(=O)c1cncc([O-])c1)C(C)C ZINC000339934451 215402324 /nfs/dbraw/zinc/40/23/24/215402324.db2.gz RHIPQHHOLZQAAB-MRXNPFEDSA-N -1 1 284.359 3.223 20 0 CGADMM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ncccc1[O-] ZINC000153816387 188105254 /nfs/dbraw/zinc/10/52/54/188105254.db2.gz MWONDTGDEHMGFH-MRXNPFEDSA-N -1 1 284.359 3.257 20 0 CGADMM O=C(CSc1ccc(F)cc1)Nc1ccc(F)cc1[O-] ZINC000340329359 215541998 /nfs/dbraw/zinc/54/19/98/215541998.db2.gz AGEUUYHOIZPZCQ-UHFFFAOYSA-N -1 1 295.310 3.401 20 0 CGADMM COc1cc(CC(=O)Nc2ccc(F)cc2[O-])ccc1C ZINC000340332221 215542696 /nfs/dbraw/zinc/54/26/96/215542696.db2.gz ODQXSFHOEZDECE-UHFFFAOYSA-N -1 1 289.306 3.030 20 0 CGADMM CCOc1cc(C(=O)N2C[C@H](C)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000273802448 192313477 /nfs/dbraw/zinc/31/34/77/192313477.db2.gz BGUXFHNZPQTBPR-UWVGGRQHSA-N -1 1 297.782 3.172 20 0 CGADMM O=C(Nc1ccncc1[O-])c1ccc(-c2ccc(F)cc2)o1 ZINC000109891037 138362002 /nfs/dbraw/zinc/36/20/02/138362002.db2.gz NYXUGLHWZPDOLF-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(F)c(C)c2)o1 ZINC000426785916 236315101 /nfs/dbraw/zinc/31/51/01/236315101.db2.gz ZSIXNERTLYVWIU-AWEZNQCLSA-N -1 1 291.322 3.341 20 0 CGADMM Cc1ccc2c(c1C)OC[C@@H]2NCc1ccc(C(=O)[O-])cc1 ZINC000263508416 138573837 /nfs/dbraw/zinc/57/38/37/138573837.db2.gz XWPDIWCFIYSLOR-INIZCTEOSA-N -1 1 297.354 3.225 20 0 CGADMM CN(C(=O)c1ccc(Br)c([O-])c1)[C@@H]1CC1(C)C ZINC000428095572 236364802 /nfs/dbraw/zinc/36/48/02/236364802.db2.gz YEAOSSCHZUWWRC-LLVKDONJSA-N -1 1 298.180 3.025 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCCC12CCC2 ZINC000336183689 213001719 /nfs/dbraw/zinc/00/17/19/213001719.db2.gz ROZKANVBLBHXQP-UHFFFAOYSA-N -1 1 265.740 3.204 20 0 CGADMM O=C(N[C@@H]1CSc2ccccc21)c1cc(F)ccc1[O-] ZINC000436535415 237123265 /nfs/dbraw/zinc/12/32/65/237123265.db2.gz KJQYSBZPYONSRR-GFCCVEGCSA-N -1 1 289.331 3.108 20 0 CGADMM O=C(Nc1nc2c(cccc2Cl)[nH]1)c1ccccc1[O-] ZINC000436590312 237139207 /nfs/dbraw/zinc/13/92/07/237139207.db2.gz SDPLEUAFUJIZOC-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM Cc1noc(C)c1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436793386 237183209 /nfs/dbraw/zinc/18/32/09/237183209.db2.gz QXRZSOMTAFHAHX-UHFFFAOYSA-N -1 1 282.299 3.403 20 0 CGADMM CCC1([N-]S(=O)(=O)c2sccc2Cl)CCCC1 ZINC000451741613 240351747 /nfs/dbraw/zinc/35/17/47/240351747.db2.gz OJPVCTJVHPWXNI-UHFFFAOYSA-N -1 1 293.841 3.403 20 0 CGADMM Cc1ccnc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436751516 237173292 /nfs/dbraw/zinc/17/32/92/237173292.db2.gz LWFYDDPABYUSNX-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000451045464 240201568 /nfs/dbraw/zinc/20/15/68/240201568.db2.gz XWGUESMDCUBOQL-BDAKNGLRSA-N -1 1 293.841 3.259 20 0 CGADMM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000451364014 240284602 /nfs/dbraw/zinc/28/46/02/240284602.db2.gz UTVWCPXPTCHDPF-MRVPVSSYSA-N -1 1 293.841 3.259 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456278677 241390093 /nfs/dbraw/zinc/39/00/93/241390093.db2.gz LRTKOUUIXVOODM-ZFWWWQNUSA-N -1 1 291.778 3.306 20 0 CGADMM COCCC1(C(=O)Nc2ccc([O-])c(F)c2F)CCCC1 ZINC000456780865 241486931 /nfs/dbraw/zinc/48/69/31/241486931.db2.gz JAJQHZMUZYDDQM-UHFFFAOYSA-N -1 1 299.317 3.206 20 0 CGADMM Cc1ccncc1CN(C)Cc1cccc([O-])c1Cl ZINC000353264541 219995665 /nfs/dbraw/zinc/99/56/65/219995665.db2.gz IFPGGQGOQMNUHG-UHFFFAOYSA-N -1 1 276.767 3.381 20 0 CGADMM O=C([O-])C[C@@H]1CCCN1Cc1c(Cl)cccc1Cl ZINC000042163889 369202908 /nfs/dbraw/zinc/20/29/08/369202908.db2.gz ZWOGKJXXENTYRQ-VIFPVBQESA-N -1 1 288.174 3.433 20 0 CGADMM FC(F)(F)c1c[n-]c(=NOC[C@H]2CCOC2)c(Cl)c1 ZINC000276165043 193231553 /nfs/dbraw/zinc/23/15/53/193231553.db2.gz BSVXXOPWCRWVPU-ZETCQYMHSA-N -1 1 296.676 3.134 20 0 CGADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H]1C ZINC000091439025 370074957 /nfs/dbraw/zinc/07/49/57/370074957.db2.gz SEYCNQFSJWEECS-RYUDHWBXSA-N -1 1 269.344 3.273 20 0 CGADMM CC[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000130440185 371033807 /nfs/dbraw/zinc/03/38/07/371033807.db2.gz LGDQQYFYJXZFFF-LBPRGKRZSA-N -1 1 269.344 3.418 20 0 CGADMM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1c(F)ccc([O-])c1F ZINC000289644522 371781838 /nfs/dbraw/zinc/78/18/38/371781838.db2.gz XUIABBCONHYLPN-JQWIXIFHSA-N -1 1 295.329 3.369 20 0 CGADMM CCc1nc(C)c(CNCc2cccc([O-])c2Cl)o1 ZINC000293035016 372284733 /nfs/dbraw/zinc/28/47/33/372284733.db2.gz RVGVXAZKVBYYAG-UHFFFAOYSA-N -1 1 280.755 3.194 20 0 CGADMM O=C([O-])CCC1CCN(Cc2cc(F)ccc2F)CC1 ZINC000050926624 541875717 /nfs/dbraw/zinc/87/57/17/541875717.db2.gz ZKBWSKXSQRJOJE-UHFFFAOYSA-N -1 1 283.318 3.042 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2c(F)ccc([O-])c2F)CC12CCC2 ZINC000293541040 372406875 /nfs/dbraw/zinc/40/68/75/372406875.db2.gz AWNZYRHOWOQUQG-AWEZNQCLSA-N -1 1 295.329 3.321 20 0 CGADMM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000432213146 372548108 /nfs/dbraw/zinc/54/81/08/372548108.db2.gz NDODGGXSPLOGHU-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC(C)(C)c1ccc(CN2CCCC[C@H]2C(=O)[O-])s1 ZINC000166276593 372569889 /nfs/dbraw/zinc/56/98/89/372569889.db2.gz WILBHLCUMJOKTM-LBPRGKRZSA-N -1 1 281.421 3.485 20 0 CGADMM O=C([O-])[C@@H](NCc1cccc(Cl)c1F)c1ccccc1 ZINC000166740835 372581159 /nfs/dbraw/zinc/58/11/59/372581159.db2.gz OOSSKZIYCPUTKH-AWEZNQCLSA-N -1 1 293.725 3.395 20 0 CGADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000432204308 372546897 /nfs/dbraw/zinc/54/68/97/372546897.db2.gz YTBUHGFOYKDPIJ-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM COc1cc(C(=O)N[C@H](C)CC(C)C)cc(Cl)c1[O-] ZINC000443060677 373147014 /nfs/dbraw/zinc/14/70/14/373147014.db2.gz HFWCOJIZKZZQJS-SECBINFHSA-N -1 1 285.771 3.219 20 0 CGADMM O=C([O-])C[C@@H]1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000299746342 373610210 /nfs/dbraw/zinc/61/02/10/373610210.db2.gz WTFGKJLFUSOASS-LLVKDONJSA-N -1 1 283.318 3.042 20 0 CGADMM Cc1ccc(F)cc1NC(=O)c1ccc([O-])cc1F ZINC000181831749 374177619 /nfs/dbraw/zinc/17/76/19/374177619.db2.gz OIYSKLKBGMEMHP-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000075911029 541909277 /nfs/dbraw/zinc/90/92/77/541909277.db2.gz LKSFDKWYHJRKFR-SNVBAGLBSA-N -1 1 259.280 3.022 20 0 CGADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000334143681 206067868 /nfs/dbraw/zinc/06/78/68/206067868.db2.gz FRJVJYDROHEHQU-JOYOIKCWSA-N -1 1 297.782 3.315 20 0 CGADMM O=C(N[C@@H]1CCC12CCCC2)c1c(F)ccc([O-])c1F ZINC000334147730 206082540 /nfs/dbraw/zinc/08/25/40/206082540.db2.gz FDKTVXLRXDUFQC-LLVKDONJSA-N -1 1 281.302 3.123 20 0 CGADMM Cc1ccc2nc(-c3ccc(C(C)C)nc3)[n-]c(=O)c2c1 ZINC000183885250 374468505 /nfs/dbraw/zinc/46/85/05/374468505.db2.gz PQRTZCPTOATTEJ-UHFFFAOYSA-N -1 1 279.343 3.417 20 0 CGADMM O=C(CCOc1ccc(F)cc1)Nc1c([O-])cccc1F ZINC000089541451 541953676 /nfs/dbraw/zinc/95/36/76/541953676.db2.gz QRHPEVNYKOYOFA-UHFFFAOYSA-N -1 1 293.269 3.078 20 0 CGADMM Oc1cc(F)cc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000184147557 374499070 /nfs/dbraw/zinc/49/90/70/374499070.db2.gz DYSFBRFUDFINOE-UHFFFAOYSA-N -1 1 257.308 3.090 20 0 CGADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000092939160 541977065 /nfs/dbraw/zinc/97/70/65/541977065.db2.gz UTXYKCUOECUIEN-WCBMZHEXSA-N -1 1 288.174 3.288 20 0 CGADMM O=S(=O)([N-]c1cccc(O)c1)c1ccc(C(F)F)cc1 ZINC000334215544 206203269 /nfs/dbraw/zinc/20/32/69/206203269.db2.gz BTMWPXZQDOTADS-UHFFFAOYSA-N -1 1 299.298 3.131 20 0 CGADMM O=C(CCCC(F)(F)F)Nc1ccc([O-])c(F)c1F ZINC000456781776 374621398 /nfs/dbraw/zinc/62/13/98/374621398.db2.gz JPQJRPMYSFUNMZ-UHFFFAOYSA-N -1 1 283.196 3.342 20 0 CGADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1ccc([O-])c(F)c1F ZINC000456784622 374621576 /nfs/dbraw/zinc/62/15/76/374621576.db2.gz MGCWQUSJLFSUBA-VGMNWLOBSA-N -1 1 267.275 3.045 20 0 CGADMM CC1(C)C(C(=O)Nc2ccc([O-])c(F)c2F)C1(C)C ZINC000456786233 374623956 /nfs/dbraw/zinc/62/39/56/374623956.db2.gz OFGXSEIKGQLAQT-UHFFFAOYSA-N -1 1 269.291 3.291 20 0 CGADMM CCSCc1cc(C(=O)[N-]c2c(C)noc2CC)no1 ZINC000186656314 374893406 /nfs/dbraw/zinc/89/34/06/374893406.db2.gz HQIIRLAHPMIQIX-UHFFFAOYSA-N -1 1 295.364 3.039 20 0 CGADMM CCOc1cc(C(=O)Nc2ccccn2)cc(Cl)c1[O-] ZINC000186442399 374852187 /nfs/dbraw/zinc/85/21/87/374852187.db2.gz YIEUNCGYRGDELF-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM CC[C@]1(C)C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335018848 375074565 /nfs/dbraw/zinc/07/45/65/375074565.db2.gz SXQLIKFLEDUTCK-WPPNPWJKSA-N -1 1 255.264 3.045 20 0 CGADMM COC(=O)c1c[n-]c(SCc2cccc(Cl)c2)n1 ZINC000187591014 375050128 /nfs/dbraw/zinc/05/01/28/375050128.db2.gz VYBXJWLWDJCXKV-UHFFFAOYSA-N -1 1 282.752 3.142 20 0 CGADMM COC(=O)c1c[n-]c(SCCc2ccccc2Cl)n1 ZINC000187598448 375051786 /nfs/dbraw/zinc/05/17/86/375051786.db2.gz ZJAFERITTOJZQG-UHFFFAOYSA-N -1 1 296.779 3.185 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC2(C1)CCCC2 ZINC000335123115 375151170 /nfs/dbraw/zinc/15/11/70/375151170.db2.gz QGOAUKNJTWYOKE-UHFFFAOYSA-N -1 1 265.740 3.062 20 0 CGADMM CCCc1nc(CSc2nc(CC)cc(=O)[n-]2)cs1 ZINC000188094743 375155570 /nfs/dbraw/zinc/15/55/70/375155570.db2.gz YARDZHWCPAKMOL-UHFFFAOYSA-N -1 1 295.433 3.034 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H](C)c2ccc(F)cc2F)n1 ZINC000188095625 375157508 /nfs/dbraw/zinc/15/75/08/375157508.db2.gz QGVMCMPCJPISNI-MRVPVSSYSA-N -1 1 296.342 3.464 20 0 CGADMM Cc1oc(C(C)C)nc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335214705 375233939 /nfs/dbraw/zinc/23/39/39/375233939.db2.gz HANACGXKQZHVJG-UHFFFAOYSA-N -1 1 296.273 3.343 20 0 CGADMM Cc1cc(F)c(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000335444050 375298030 /nfs/dbraw/zinc/29/80/30/375298030.db2.gz QGTARYWNWUQQCT-WDEREUQCSA-N -1 1 299.773 3.330 20 0 CGADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccsc1 ZINC000335705630 375362233 /nfs/dbraw/zinc/36/22/33/375362233.db2.gz HZFAHQRXBFKVCW-UHFFFAOYSA-N -1 1 281.402 3.420 20 0 CGADMM Cc1csc(CSc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000189439292 375388414 /nfs/dbraw/zinc/38/84/14/375388414.db2.gz BQKVBXNGBYPQNS-UHFFFAOYSA-N -1 1 279.390 3.117 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccccn1 ZINC000190984728 375558537 /nfs/dbraw/zinc/55/85/37/375558537.db2.gz OGQBKMVRPZHKEE-UHFFFAOYSA-N -1 1 263.684 3.085 20 0 CGADMM O=C(c1ccc(O)cc1[O-])N1CC2(CCC2)c2ccccc21 ZINC000336189775 375756605 /nfs/dbraw/zinc/75/66/05/375756605.db2.gz XEOHSFJMTCKNMH-UHFFFAOYSA-N -1 1 295.338 3.180 20 0 CGADMM CCCCCNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000192964457 375810736 /nfs/dbraw/zinc/81/07/36/375810736.db2.gz WDUICLDORQZQRQ-UHFFFAOYSA-N -1 1 285.771 3.364 20 0 CGADMM O=C(Nc1cc(C2CC2)ccn1)c1c(F)ccc([O-])c1F ZINC000336397614 375789977 /nfs/dbraw/zinc/78/99/77/375789977.db2.gz CVSDILOIIIZHDR-UHFFFAOYSA-N -1 1 290.269 3.195 20 0 CGADMM O=C(Nc1ccc(Cl)c(F)c1)c1ccc(O)cc1[O-] ZINC000193307175 375857263 /nfs/dbraw/zinc/85/72/63/375857263.db2.gz FCEPOOZHQNRNFU-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM CSc1ccc([C@H](C)NC(=O)c2ncccc2[O-])cc1 ZINC000337120131 376083487 /nfs/dbraw/zinc/08/34/87/376083487.db2.gz YKPJXFZUQBJVQR-JTQLQIEISA-N -1 1 288.372 3.000 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H](C)CCC(C)(C)C)s[n-]1 ZINC000337872441 376245279 /nfs/dbraw/zinc/24/52/79/376245279.db2.gz OMXFVQHJQQNYEE-VHSXEESVSA-N -1 1 271.430 3.294 20 0 CGADMM Cc1ccc(C(=O)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000340301922 376989301 /nfs/dbraw/zinc/98/93/01/376989301.db2.gz WKBPXAKSXRAMAR-UHFFFAOYSA-N -1 1 289.718 3.175 20 0 CGADMM CC(C)c1ncc(C(=O)Nc2ccc(F)cc2[O-])s1 ZINC000340329897 377005289 /nfs/dbraw/zinc/00/52/89/377005289.db2.gz HTBHDWGDOOWSNT-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM O=C(CCC1CCCC1)Nc1ccc(F)cc1[O-] ZINC000340328876 377005670 /nfs/dbraw/zinc/00/56/70/377005670.db2.gz RQUOVYKQNHCRAN-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1Cc2ccccc2S1 ZINC000340332148 377006586 /nfs/dbraw/zinc/00/65/86/377006586.db2.gz KGDDEIZMSRYGKQ-AWEZNQCLSA-N -1 1 289.331 3.187 20 0 CGADMM O=C(CCCOc1ccccc1)Nc1ccc(F)cc1[O-] ZINC000340330481 377007870 /nfs/dbraw/zinc/00/78/70/377007870.db2.gz ORXSOZQTSJSSIE-UHFFFAOYSA-N -1 1 289.306 3.329 20 0 CGADMM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1ccccc1[O-] ZINC000094106196 249039160 /nfs/dbraw/zinc/03/91/60/249039160.db2.gz WRYWMBJTVIKBAY-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM O=C([O-])Cc1ccccc1CNCc1ccsc1Cl ZINC000312672048 249081584 /nfs/dbraw/zinc/08/15/84/249081584.db2.gz UTNOGZLZEBOJRE-UHFFFAOYSA-N -1 1 295.791 3.318 20 0 CGADMM CCCOc1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC000517006387 249253951 /nfs/dbraw/zinc/25/39/51/249253951.db2.gz HQXBRXMEXPCSFI-UHFFFAOYSA-N -1 1 289.331 3.056 20 0 CGADMM CCc1c(C)sc2[n-]c(-c3nc(C)cs3)nc(=O)c12 ZINC000183638928 542231431 /nfs/dbraw/zinc/23/14/31/542231431.db2.gz ZLWLMRJTPLGLGG-UHFFFAOYSA-N -1 1 291.401 3.287 20 0 CGADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Cl)cc2F)C1 ZINC000263329019 377927824 /nfs/dbraw/zinc/92/78/24/377927824.db2.gz LDOATIFDWMFEOL-GXSJLCMTSA-N -1 1 285.746 3.022 20 0 CGADMM CC(C)N(CC(=O)[O-])Cc1ccc(-c2ccccc2)o1 ZINC000263477225 377941170 /nfs/dbraw/zinc/94/11/70/377941170.db2.gz FNHXBQKDFLUCRY-UHFFFAOYSA-N -1 1 273.332 3.242 20 0 CGADMM O=C([O-])C1CN(Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000263528522 377943917 /nfs/dbraw/zinc/94/39/17/377943917.db2.gz VHRPXMBMUNQRHN-UHFFFAOYSA-N -1 1 291.347 3.071 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(C(C)(C)C)n1 ZINC000263515934 377944408 /nfs/dbraw/zinc/94/44/08/377944408.db2.gz OPVJXNORXYWBII-MNOVXSKESA-N -1 1 296.436 3.126 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2c(F)ccc([O-])c2F)s1 ZINC000343276868 377945763 /nfs/dbraw/zinc/94/57/63/377945763.db2.gz STLFVLGCTGYEHE-UHFFFAOYSA-N -1 1 297.326 3.313 20 0 CGADMM Cc1oc(CN2CCC[C@H]2c2ccco2)cc1C(=O)[O-] ZINC000575874954 377997617 /nfs/dbraw/zinc/99/76/17/377997617.db2.gz NKXVPNBOONIKKC-ZDUSSCGKSA-N -1 1 275.304 3.216 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000578207003 378047858 /nfs/dbraw/zinc/04/78/58/378047858.db2.gz ICNFOPIDCBUVFL-WOPDTQHZSA-N -1 1 294.395 3.046 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1ncc(C(C)(C)C)o1 ZINC000578207003 378047862 /nfs/dbraw/zinc/04/78/62/378047862.db2.gz ICNFOPIDCBUVFL-WOPDTQHZSA-N -1 1 294.395 3.046 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H]2CCC(C)(C)C2)n1 ZINC000579590229 378174547 /nfs/dbraw/zinc/17/45/47/378174547.db2.gz RKILFGGNCILPIY-SNVBAGLBSA-N -1 1 252.383 3.415 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cnoc2C2CC2)n1 ZINC000269898428 378279049 /nfs/dbraw/zinc/27/90/49/378279049.db2.gz FXKDGZKSWXNAHP-UHFFFAOYSA-N -1 1 291.376 3.292 20 0 CGADMM Cc1cnc(SC[C@@H](C)c2ccccc2)[n-]c1=O ZINC000567521982 322166939 /nfs/dbraw/zinc/16/69/39/322166939.db2.gz BYVAYTIEAGBMBQ-LLVKDONJSA-N -1 1 260.362 3.386 20 0 CGADMM C[C@H]1C[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCO1 ZINC000278240314 379325920 /nfs/dbraw/zinc/32/59/20/379325920.db2.gz SITCVBDAZAZOEV-IUCAKERBSA-N -1 1 294.738 3.378 20 0 CGADMM CCOc1cc(C(=O)N2CC[C@H]2CC)cc(Cl)c1[O-] ZINC000347619900 218294375 /nfs/dbraw/zinc/29/43/75/218294375.db2.gz YVAAGLVHIFQOAH-SNVBAGLBSA-N -1 1 283.755 3.069 20 0 CGADMM CC[C@H]1CCCN1C(=O)N=c1[n-]sc2ccccc21 ZINC000640341033 379771169 /nfs/dbraw/zinc/77/11/69/379771169.db2.gz QPLOWNNWVPFFOG-JTQLQIEISA-N -1 1 275.377 3.125 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)C(C)=C2CCCC2)c1 ZINC000282827744 379998044 /nfs/dbraw/zinc/99/80/44/379998044.db2.gz QFLUJFKVXDSCNS-UHFFFAOYSA-N -1 1 289.331 3.008 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])CC12CCCCC2 ZINC000408242684 380002100 /nfs/dbraw/zinc/00/21/00/380002100.db2.gz XDDZBGLJLLKWJC-CYBMUJFWSA-N -1 1 288.391 3.220 20 0 CGADMM C[C@H](c1ccccc1)N(C(=O)c1cncc([O-])c1)C1CC1 ZINC000284063892 380121751 /nfs/dbraw/zinc/12/17/51/380121751.db2.gz VHHFFYIPMXVDRM-GFCCVEGCSA-N -1 1 282.343 3.153 20 0 CGADMM CC(C)(C)c1ccc(C(=O)Nc2c([O-])cccc2F)nc1 ZINC000643339561 380282601 /nfs/dbraw/zinc/28/26/01/380282601.db2.gz UTRMVAJIVHJSST-UHFFFAOYSA-N -1 1 288.322 3.476 20 0 CGADMM CCC1(C)CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000644691116 380485167 /nfs/dbraw/zinc/48/51/67/380485167.db2.gz AAIOGFHAQPZPFF-UHFFFAOYSA-N -1 1 287.281 3.283 20 0 CGADMM CO[C@@H](CSc1nc(C2CC2)cc(=O)[n-]1)CC(C)C ZINC000416903793 380546873 /nfs/dbraw/zinc/54/68/73/380546873.db2.gz GPMOOQSGTQRCQI-LLVKDONJSA-N -1 1 282.409 3.213 20 0 CGADMM C[C@H](C(=O)[O-])[C@H](NCc1ccc(Cl)o1)c1ccccc1 ZINC000417563037 380640009 /nfs/dbraw/zinc/64/00/09/380640009.db2.gz MYACICTXTZTSDE-HZMBPMFUSA-N -1 1 293.750 3.485 20 0 CGADMM O=C(Cc1ccc(O)cc1Cl)Nc1ccc(F)cc1[O-] ZINC000357409056 381147378 /nfs/dbraw/zinc/14/73/78/381147378.db2.gz YWHZKIXPKQGTHE-UHFFFAOYSA-N -1 1 295.697 3.072 20 0 CGADMM C/C=C/c1ccc(NC(=O)c2csc(=NC3CC3)[n-]2)cc1 ZINC000360319933 381514766 /nfs/dbraw/zinc/51/47/66/381514766.db2.gz RAUYGGIXRKVOAS-NSCUHMNNSA-N -1 1 299.399 3.425 20 0 CGADMM CC[C@H](NCc1ccc(-c2cccc(F)c2C)o1)C(=O)[O-] ZINC000362347169 381951288 /nfs/dbraw/zinc/95/12/88/381951288.db2.gz RTSJAJNQPHTWJM-AWEZNQCLSA-N -1 1 291.322 3.347 20 0 CGADMM CC(C)(c1nc(-c2ccc([O-])c(F)c2)no1)C1CC1 ZINC000289152139 197247650 /nfs/dbraw/zinc/24/76/50/197247650.db2.gz TTWAEANEVAHKLL-UHFFFAOYSA-N -1 1 262.284 3.269 20 0 CGADMM CC(C)[C@@H]1C[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289124496 197240930 /nfs/dbraw/zinc/24/09/30/197240930.db2.gz QQFYGZBAHNBKED-UWVGGRQHSA-N -1 1 262.284 3.341 20 0 CGADMM Cc1cccc2nc(-c3ccc(Cl)o3)[n-]c(=O)c12 ZINC000350404326 542534130 /nfs/dbraw/zinc/53/41/30/542534130.db2.gz ZRKGEZOARCNGRA-UHFFFAOYSA-N -1 1 260.680 3.145 20 0 CGADMM Cc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000048652224 392007242 /nfs/dbraw/zinc/00/72/42/392007242.db2.gz NOQHSHNOKWLCBT-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM CC(C)c1nc(CN2CCCC[C@@H]2CCC(=O)[O-])cs1 ZINC000050925737 392067703 /nfs/dbraw/zinc/06/77/03/392067703.db2.gz COAWMJNDLJGFIS-CYBMUJFWSA-N -1 1 296.436 3.486 20 0 CGADMM C[C@@H](CC1CC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000070104954 392176852 /nfs/dbraw/zinc/17/68/52/392176852.db2.gz KVOUGNDYGBRLIP-NSHDSACASA-N -1 1 269.344 3.464 20 0 CGADMM CCN(Cc1ccccc1Cl)C(=O)c1cncc([O-])c1 ZINC000109042427 392351447 /nfs/dbraw/zinc/35/14/47/392351447.db2.gz QBICKQHKOKBCQY-UHFFFAOYSA-N -1 1 290.750 3.103 20 0 CGADMM Cc1cccc2nc(-c3ccc([O-])c(F)c3)[nH]c(=O)c12 ZINC000436697444 542658705 /nfs/dbraw/zinc/65/87/05/542658705.db2.gz NDGVVUDFCBCUIW-UHFFFAOYSA-N -1 1 270.263 3.156 20 0 CGADMM C[C@@H](C(=O)[N-]OC/C=C/Cl)c1cccc(Cl)c1 ZINC000291858062 392494979 /nfs/dbraw/zinc/49/49/79/392494979.db2.gz ORBJDRFFOWOBOJ-BSPAPZMXSA-N -1 1 274.147 3.244 20 0 CGADMM CCc1cccc(CC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000505619089 392682574 /nfs/dbraw/zinc/68/25/74/392682574.db2.gz CEJYSVPKFKAZMQ-UHFFFAOYSA-N -1 1 273.307 3.275 20 0 CGADMM O=C([O-])[C@@H]1C=C[C@@H](NCc2c(Cl)cccc2Cl)C1 ZINC000310836580 392660295 /nfs/dbraw/zinc/66/02/95/392660295.db2.gz JVINMMORGGQADW-RKDXNWHRSA-N -1 1 286.158 3.112 20 0 CGADMM CCCC(C)(C)CC(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505760820 392695811 /nfs/dbraw/zinc/69/58/11/392695811.db2.gz YJTXFSWIWLDONO-UHFFFAOYSA-N -1 1 293.363 3.334 20 0 CGADMM [O-]c1cccc(CN2CCOC[C@@H]2C2CCC2)c1Cl ZINC000648067179 392898203 /nfs/dbraw/zinc/89/82/03/392898203.db2.gz LXJNWHREXOGKMU-CYBMUJFWSA-N -1 1 281.783 3.047 20 0 CGADMM Cc1nc(S[C@H](C)C(=O)c2ccccc2)[n-]c(=O)c1C ZINC000537412970 393000124 /nfs/dbraw/zinc/00/01/24/393000124.db2.gz ATTVKOWBIBSPBY-LLVKDONJSA-N -1 1 288.372 3.163 20 0 CGADMM C[C@H]1C[C@H](NCc2cccc([O-])c2Cl)c2nccn21 ZINC000648776417 393247183 /nfs/dbraw/zinc/24/71/83/393247183.db2.gz KXUQAJAVCUBZOL-ONGXEEELSA-N -1 1 277.755 3.038 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@@H]1C1CCC1 ZINC000649197706 393371404 /nfs/dbraw/zinc/37/14/04/393371404.db2.gz SLVPDFMHLQKCHE-CQSZACIVSA-N -1 1 277.339 3.326 20 0 CGADMM CC(C)CC1(C)CCN(C(=O)c2ncccc2[O-])CC1 ZINC000356451938 393449780 /nfs/dbraw/zinc/44/97/80/393449780.db2.gz YNZSOFDFYPWGCX-UHFFFAOYSA-N -1 1 276.380 3.076 20 0 CGADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378187 542782871 /nfs/dbraw/zinc/78/28/71/542782871.db2.gz BXVJIKRKNGPXSS-QWHCGFSZSA-N -1 1 299.374 3.343 20 0 CGADMM COc1cc(C(=O)NC2C(C)(C)C2(C)C)cc(Cl)c1[O-] ZINC000443301724 393750797 /nfs/dbraw/zinc/75/07/97/393750797.db2.gz NLKYFWPVRSSCPZ-UHFFFAOYSA-N -1 1 297.782 3.219 20 0 CGADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000443401285 393755658 /nfs/dbraw/zinc/75/56/58/393755658.db2.gz CCVMHIODZMYCLC-UHFFFAOYSA-N -1 1 291.372 3.195 20 0 CGADMM CCO[C@@H](Cc1nc(-c2ccc([O-])cc2F)no1)C(C)C ZINC000445455835 393796254 /nfs/dbraw/zinc/79/62/54/393796254.db2.gz GLBOAQMVNALYET-ZDUSSCGKSA-N -1 1 294.326 3.185 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\C3CCC3)n2)c(F)c1 ZINC000445459232 393796630 /nfs/dbraw/zinc/79/66/30/393796630.db2.gz YTPAJNGZINISBR-DAXSKMNVSA-N -1 1 260.268 3.395 20 0 CGADMM CCC[C@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445464462 393797339 /nfs/dbraw/zinc/79/73/39/393797339.db2.gz SZMJTTKNYGAVRH-QMMMGPOBSA-N -1 1 250.273 3.485 20 0 CGADMM Cc1ccc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)nc1 ZINC000445463262 393797515 /nfs/dbraw/zinc/79/75/15/393797515.db2.gz OATLXDPHZCYCFB-QPJJXVBHSA-N -1 1 297.289 3.455 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3Cc4ccccc43)n2)cc1F ZINC000445481077 393798949 /nfs/dbraw/zinc/79/89/49/393798949.db2.gz NZCRGFNAZDOPNN-LBPRGKRZSA-N -1 1 282.274 3.269 20 0 CGADMM CC[C@@H](C)[C@@H](CN=c1[n-]c(C(F)(F)F)cs1)OC ZINC000450614146 394031095 /nfs/dbraw/zinc/03/10/95/394031095.db2.gz ANXKOLSHBXFIGL-HTQZYQBOSA-N -1 1 282.331 3.057 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000669226302 543094635 /nfs/dbraw/zinc/09/46/35/543094635.db2.gz PNKILJDWXVCVHF-IUODEOHRSA-N -1 1 296.370 3.345 20 0 CGADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc([O-])c(F)c1 ZINC000669726101 543122536 /nfs/dbraw/zinc/12/25/36/543122536.db2.gz KHBDUPZSFRGJFB-SECBINFHSA-N -1 1 287.281 3.087 20 0 CGADMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cs1 ZINC000672743401 543226146 /nfs/dbraw/zinc/22/61/46/543226146.db2.gz BZNPVTMROJIKDM-UHFFFAOYSA-N -1 1 299.355 3.405 20 0 CGADMM CSc1ccncc1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC000674258775 543278202 /nfs/dbraw/zinc/27/82/02/543278202.db2.gz AHGWRTGZIRVFJP-UHFFFAOYSA-N -1 1 291.376 3.341 20 0 CGADMM CCO[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000394643868 397695706 /nfs/dbraw/zinc/69/57/06/397695706.db2.gz IEQROSZEFPQWNG-GFCCVEGCSA-N -1 1 297.782 3.039 20 0 CGADMM Cc1nc(SCc2cccc(N(C)C)c2)[n-]c(=O)c1C ZINC000679009936 543582193 /nfs/dbraw/zinc/58/21/93/543582193.db2.gz VFLJFSRUPLZNMS-UHFFFAOYSA-N -1 1 289.404 3.157 20 0 CGADMM CN(Cc1ccccc1F)C(=O)c1ccc(Cl)cc1[O-] ZINC000042252282 286893195 /nfs/dbraw/zinc/89/31/95/286893195.db2.gz POGODUKZORJQGH-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000089395877 287089244 /nfs/dbraw/zinc/08/92/44/287089244.db2.gz BEVDMIACLURBEA-UHFFFAOYSA-N -1 1 297.314 3.453 20 0 CGADMM CC[C@H](c1ccccc1)S(=O)(=O)c1ccc([O-])cc1 ZINC000078797408 165139911 /nfs/dbraw/zinc/13/99/11/165139911.db2.gz WSYNWXBXDMUPIJ-OAHLLOKOSA-N -1 1 276.357 3.317 20 0 CGADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)cc1 ZINC000121303326 287196218 /nfs/dbraw/zinc/19/62/18/287196218.db2.gz GWCRAKYHXXVGPA-UHFFFAOYSA-N -1 1 290.388 3.143 20 0 CGADMM O=C(Nc1cccc(F)c1F)c1cc(F)ccc1[O-] ZINC000128618112 287314930 /nfs/dbraw/zinc/31/49/30/287314930.db2.gz KHXXBUYABYQBBR-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM CC(C)c1cnc(NC(=O)c2ccccc2[O-])s1 ZINC000072107054 176316545 /nfs/dbraw/zinc/31/65/45/176316545.db2.gz KPGFUSICADCZJN-UHFFFAOYSA-N -1 1 262.334 3.224 20 0 CGADMM CSc1ccccc1CC(=O)Nc1c([O-])cccc1F ZINC000679109482 543591901 /nfs/dbraw/zinc/59/19/01/543591901.db2.gz JEKSCERGMQYLGH-UHFFFAOYSA-N -1 1 291.347 3.434 20 0 CGADMM O=C(Nc1cccc(Cl)c1)c1ccc([O-])c(F)c1 ZINC000681016240 543756925 /nfs/dbraw/zinc/75/69/25/543756925.db2.gz ZCCHDVOPYUMKLK-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM O=C(NCc1ccc2ccccc2n1)c1ccc([O-])c(F)c1 ZINC000681017723 543757285 /nfs/dbraw/zinc/75/72/85/543757285.db2.gz MIAIZCKNYAAQEY-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM COc1c(C)ccc(NC(=O)c2ccc([O-])c(F)c2)c1C ZINC000681019559 543757756 /nfs/dbraw/zinc/75/77/56/543757756.db2.gz YIJJHMLGQRXYCW-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM CCC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccccn1 ZINC000681043135 543759902 /nfs/dbraw/zinc/75/99/02/543759902.db2.gz XPSKMMQWFLJUKC-CQSZACIVSA-N -1 1 288.322 3.198 20 0 CGADMM CC[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681049052 543760265 /nfs/dbraw/zinc/76/02/65/543760265.db2.gz LFCWJPSNMZCZAU-CMPLNLGQSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1ccc([C@@H](C)CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681048294 543760467 /nfs/dbraw/zinc/76/04/67/543760467.db2.gz DORSUOSWBZOCKO-LBPRGKRZSA-N -1 1 287.334 3.373 20 0 CGADMM CC1(C)CCC(CNC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681059556 543762270 /nfs/dbraw/zinc/76/22/70/543762270.db2.gz XRUKBXFCNDDFAN-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM CCC(=O)c1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681057857 543762399 /nfs/dbraw/zinc/76/23/99/543762399.db2.gz ATMMZUFLCRSALN-UHFFFAOYSA-N -1 1 287.290 3.376 20 0 CGADMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681056160 543762501 /nfs/dbraw/zinc/76/25/01/543762501.db2.gz LJFBOAZXWBUDQN-SNVBAGLBSA-N -1 1 289.306 3.070 20 0 CGADMM CSC[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000131436575 287379889 /nfs/dbraw/zinc/37/98/89/287379889.db2.gz IJWVZBBVNZKQEU-JTQLQIEISA-N -1 1 275.373 3.027 20 0 CGADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000131447638 287380450 /nfs/dbraw/zinc/38/04/50/287380450.db2.gz OFRFYAOMBCDBQT-DTWKUNHWSA-N -1 1 298.180 3.025 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000181234945 287383646 /nfs/dbraw/zinc/38/36/46/287383646.db2.gz UYEYBVDSHTVQJB-GHMZBOCLSA-N -1 1 265.328 3.182 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccoc1Cl ZINC000683415093 543913425 /nfs/dbraw/zinc/91/34/25/543913425.db2.gz BCYBTLUYCRYCRD-UHFFFAOYSA-N -1 1 255.632 3.030 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CC34CCC4)n2)c(F)c1 ZINC000683591845 543927580 /nfs/dbraw/zinc/92/75/80/543927580.db2.gz CKFSPUXGGQLYBH-SNVBAGLBSA-N -1 1 260.268 3.239 20 0 CGADMM CN(Cc1ccco1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870177 544035292 /nfs/dbraw/zinc/03/52/92/544035292.db2.gz QSSSPNHVIBXWHA-UHFFFAOYSA-N -1 1 299.248 3.276 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@H]1CCCOC1 ZINC000652506678 418975697 /nfs/dbraw/zinc/97/56/97/418975697.db2.gz FMOOIFLGHGAADB-ZDUSSCGKSA-N -1 1 297.782 3.039 20 0 CGADMM O=C([O-])CN(Cc1ccc(-c2cccs2)cc1)C1CC1 ZINC000652358259 418955898 /nfs/dbraw/zinc/95/58/98/418955898.db2.gz PKKCTTDCRJFUNF-UHFFFAOYSA-N -1 1 287.384 3.464 20 0 CGADMM CC[C@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)C1CC1 ZINC000664435951 418957829 /nfs/dbraw/zinc/95/78/29/418957829.db2.gz CODXNFIWNGNOEX-AWEZNQCLSA-N -1 1 298.390 3.462 20 0 CGADMM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000654308796 418959991 /nfs/dbraw/zinc/95/99/91/418959991.db2.gz AUMSPFMJNVGUIL-NXEZZACHSA-N -1 1 299.317 3.204 20 0 CGADMM CCN(Cc1ccoc1)Cc1csc(C(=O)[O-])c1 ZINC000652408304 418963120 /nfs/dbraw/zinc/96/31/20/418963120.db2.gz XKPCFLOIWTWZIS-UHFFFAOYSA-N -1 1 265.334 3.061 20 0 CGADMM O=C(NC1(C2CCC2)CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000652868172 418995911 /nfs/dbraw/zinc/99/59/11/418995911.db2.gz SNNVLTJHJPGQNS-UHFFFAOYSA-N -1 1 299.292 3.474 20 0 CGADMM CC[C@@H](CNC(=O)c1ccc([O-])c(F)c1)CC(F)(F)F ZINC000665649556 419144629 /nfs/dbraw/zinc/14/46/29/419144629.db2.gz KHJOZYFUCLHNQB-MRVPVSSYSA-N -1 1 293.260 3.240 20 0 CGADMM CCCN(CC(C)C)C(=O)c1ncc2ccccc2c1[O-] ZINC000666185412 419195975 /nfs/dbraw/zinc/19/59/75/419195975.db2.gz PCIFLDSFHZXFRV-UHFFFAOYSA-N -1 1 286.375 3.449 20 0 CGADMM O=C([O-])c1cccc(CNCc2cnc(C3CC3)s2)c1 ZINC000666583568 419228735 /nfs/dbraw/zinc/22/87/35/419228735.db2.gz VZDRSJOZWQXCKR-UHFFFAOYSA-N -1 1 288.372 3.009 20 0 CGADMM CCc1cc(=O)[n-]c(SCCCC2CCC2)n1 ZINC000657256584 419237597 /nfs/dbraw/zinc/23/75/97/419237597.db2.gz HTWPKCWNVZSDTP-UHFFFAOYSA-N -1 1 252.383 3.417 20 0 CGADMM C[C@H](CC1CC1)NC(=O)c1cc(Br)ccc1[O-] ZINC000226483224 263037547 /nfs/dbraw/zinc/03/75/47/263037547.db2.gz MHEWVCLQZNPYRS-MRVPVSSYSA-N -1 1 298.180 3.073 20 0 CGADMM C[C@@H](CCc1ccccc1)NC(=O)c1c([O-])cccc1F ZINC000228832244 270087854 /nfs/dbraw/zinc/08/78/54/270087854.db2.gz TXWVNNCXMKUMRX-LBPRGKRZSA-N -1 1 287.334 3.282 20 0 CGADMM CCN(Cc1occc1C(=O)[O-])Cc1cccc(F)c1 ZINC000521258005 270101471 /nfs/dbraw/zinc/10/14/71/270101471.db2.gz SQXMXPWGIDEDSY-UHFFFAOYSA-N -1 1 277.295 3.139 20 0 CGADMM CC(C)(C)CCC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000524121162 270111843 /nfs/dbraw/zinc/11/18/43/270111843.db2.gz DLWLSAIKNDTWBU-UHFFFAOYSA-N -1 1 277.393 3.325 20 0 CGADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000528169871 270156296 /nfs/dbraw/zinc/15/62/96/270156296.db2.gz VKSWPTKTUUFZBZ-VXFNFUGZSA-N -1 1 292.310 3.108 20 0 CGADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])Cc2ccccc21 ZINC000436525413 278320498 /nfs/dbraw/zinc/32/04/98/278320498.db2.gz NQFLGEKLSZUKIN-UHFFFAOYSA-N -1 1 299.345 3.465 20 0 CGADMM [O-]c1cccc(CN2CCO[C@@H](C3CCC3)C2)c1Cl ZINC000414472025 288059288 /nfs/dbraw/zinc/05/92/88/288059288.db2.gz NIBIHVMENCZKOB-CQSZACIVSA-N -1 1 281.783 3.047 20 0 CGADMM CC1(C)CC[C@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000530004114 288280793 /nfs/dbraw/zinc/28/07/93/288280793.db2.gz BCMGLEFVVUHGNZ-VIFPVBQESA-N -1 1 251.301 3.296 20 0 CGADMM Cc1nc(CC(C)C)oc1C(=O)Nc1cccc(F)c1[O-] ZINC000530004640 288281092 /nfs/dbraw/zinc/28/10/92/288281092.db2.gz FJWISXKSDTVFJU-UHFFFAOYSA-N -1 1 292.310 3.279 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CC12CCCC2 ZINC000530867216 288319702 /nfs/dbraw/zinc/31/97/02/288319702.db2.gz OWWMEBMIRKGXJE-CYBMUJFWSA-N -1 1 297.358 3.301 20 0 CGADMM O=C(CSc1nnc(C2CC2)s1)c1ccc([O-])cc1 ZINC000531066553 288327051 /nfs/dbraw/zinc/32/70/51/288327051.db2.gz OWDHVAWHNKRGNQ-UHFFFAOYSA-N -1 1 292.385 3.096 20 0 CGADMM Cc1ccsc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000540497733 288657812 /nfs/dbraw/zinc/65/78/12/288657812.db2.gz CTLPGVPORVPEGO-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2c([O-])cccc2F)o1 ZINC000548122108 288991449 /nfs/dbraw/zinc/99/14/49/288991449.db2.gz AWBHEWIBQCDEEB-KOLCDFICSA-N -1 1 289.306 3.178 20 0 CGADMM CO[C@@H](CSc1nc(C)c(C)c(=O)[n-]1)c1ccccc1 ZINC000549221166 289038017 /nfs/dbraw/zinc/03/80/17/289038017.db2.gz RFXIYJLQCKVYQU-ZDUSSCGKSA-N -1 1 290.388 3.279 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3C[C@H]3C3CC3)n2)c(F)c1 ZINC000556000854 289366760 /nfs/dbraw/zinc/36/67/60/289366760.db2.gz AZAVGMJABOGPMB-QWRGUYRKSA-N -1 1 260.268 3.095 20 0 CGADMM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Cl)cc1[O-] ZINC000019839915 299893026 /nfs/dbraw/zinc/89/30/26/299893026.db2.gz VHVMDDDJSNOYBN-UWVGGRQHSA-N -1 1 267.756 3.449 20 0 CGADMM C[C@@H]1[C@@H](C)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000294101774 297690173 /nfs/dbraw/zinc/69/01/73/297690173.db2.gz MSNZZCJDRGCNBD-WDEREUQCSA-N -1 1 255.317 3.026 20 0 CGADMM CCOc1cc(C(=O)N2[C@H](C)CC[C@H]2C)cc(Cl)c1[O-] ZINC000186862277 327704830 /nfs/dbraw/zinc/70/48/30/327704830.db2.gz FOVJMKUIZKZEFG-NXEZZACHSA-N -1 1 297.782 3.457 20 0 CGADMM CN(CCC1CC1)C(=O)c1ccc(Br)cc1[O-] ZINC000153998929 321732699 /nfs/dbraw/zinc/73/26/99/321732699.db2.gz JFEDCBAUSJRTCB-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc(F)cc1Cl)C1CCC1 ZINC000565256313 322070668 /nfs/dbraw/zinc/07/06/68/322070668.db2.gz YCGVWTJYAVFLCY-VIFPVBQESA-N -1 1 285.746 3.307 20 0 CGADMM Cc1nn(C(C)C)cc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000566466166 322124508 /nfs/dbraw/zinc/12/45/08/322124508.db2.gz MZTFOIUXUWVYLS-UHFFFAOYSA-N -1 1 295.289 3.009 20 0 CGADMM Cc1cccc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)n1 ZINC000569357127 322244848 /nfs/dbraw/zinc/24/48/48/322244848.db2.gz XCMTWBASGWLEPN-IRXDYDNUSA-N -1 1 296.370 3.180 20 0 CGADMM CCCCc1nc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cs1 ZINC000570395218 322272527 /nfs/dbraw/zinc/27/25/27/322272527.db2.gz HHIXPBHPTWPFQN-RYUDHWBXSA-N -1 1 296.436 3.171 20 0 CGADMM FC(F)(F)c1nc(=N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)s[n-]1 ZINC000572507861 322340797 /nfs/dbraw/zinc/34/07/97/322340797.db2.gz FOASAEPXOGJKMA-DJLDLDEBSA-N -1 1 291.342 3.360 20 0 CGADMM Cc1cc([C@H](C)N2CCc3ccsc3C2)oc1C(=O)[O-] ZINC000573452285 322388971 /nfs/dbraw/zinc/38/89/71/322388971.db2.gz JLNLCGVLVDOTLB-JTQLQIEISA-N -1 1 291.372 3.467 20 0 CGADMM O=C([O-])c1cc(F)ccc1CN1CCc2ccsc2C1 ZINC000584236862 327073128 /nfs/dbraw/zinc/07/31/28/327073128.db2.gz BDIAREWQHWBAGS-UHFFFAOYSA-N -1 1 291.347 3.144 20 0 CGADMM [O-]c1ccc(-c2noc(C(C3CC3)C3CC3)n2)c(F)c1 ZINC000583063752 329309527 /nfs/dbraw/zinc/30/95/27/329309527.db2.gz NRMVPWUMHCBFFJ-UHFFFAOYSA-N -1 1 274.295 3.485 20 0 CGADMM COC(=O)c1c[n-]c(SCC2CCC(C)CC2)n1 ZINC000576297785 335186251 /nfs/dbraw/zinc/18/62/51/335186251.db2.gz KTLPVEAAGRXNKH-UHFFFAOYSA-N -1 1 268.382 3.115 20 0 CGADMM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000577689374 335389085 /nfs/dbraw/zinc/38/90/85/335389085.db2.gz PZEBEMARFYXUEX-DGCLKSJQSA-N -1 1 293.388 3.147 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)CC1(C)C ZINC000436957614 534007448 /nfs/dbraw/zinc/00/74/48/534007448.db2.gz ZBFPQIOMOPOKNI-SNVBAGLBSA-N -1 1 265.328 3.040 20 0 CGADMM Cc1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)c(C)n1 ZINC000333010175 534106894 /nfs/dbraw/zinc/10/68/94/534106894.db2.gz BAHKHWYBEDDATB-UHFFFAOYSA-N -1 1 287.388 3.364 20 0 CGADMM CCOc1cc(C(=O)N[C@@H]2CC=CCC2)cc(Cl)c1[O-] ZINC000186821797 520665119 /nfs/dbraw/zinc/66/51/19/520665119.db2.gz NNEPUYFGBILYAE-LLVKDONJSA-N -1 1 295.766 3.283 20 0 CGADMM O=C(N[C@@H]1CC[C@H](F)C1)c1cc2ccccc2cc1[O-] ZINC000436742902 534767718 /nfs/dbraw/zinc/76/77/18/534767718.db2.gz GDXAREFLFZCHPZ-QWHCGFSZSA-N -1 1 273.307 3.166 20 0 CGADMM O=C(C=C1CCCCC1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000359247834 534818432 /nfs/dbraw/zinc/81/84/32/534818432.db2.gz GKWZBUCLZSPGRF-UHFFFAOYSA-N -1 1 287.388 3.389 20 0 CGADMM CC(C)(NC(=O)c1ccc([O-])cc1F)c1ccccc1F ZINC000436778501 527284420 /nfs/dbraw/zinc/28/44/20/527284420.db2.gz HGNUPUDLQJPFDX-UHFFFAOYSA-N -1 1 291.297 3.336 20 0 CGADMM CCN(CC(F)F)C(=O)c1cc2ccccc2cc1[O-] ZINC000182526454 527970549 /nfs/dbraw/zinc/97/05/49/527970549.db2.gz RPLRRYJRHNAANU-UHFFFAOYSA-N -1 1 279.286 3.273 20 0 CGADMM CCC[C@H](C)C[C@H](NCc1ccc(CC)o1)C(=O)[O-] ZINC000426815862 528039404 /nfs/dbraw/zinc/03/94/04/528039404.db2.gz MOTAXFSCTCHJGS-FZMZJTMJSA-N -1 1 267.369 3.211 20 0 CGADMM CC1=C[C@H](C)CN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436995329 528140371 /nfs/dbraw/zinc/14/03/71/528140371.db2.gz AVMUFHKKKBLOFJ-VIFPVBQESA-N -1 1 265.740 3.084 20 0 CGADMM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cncc([O-])c1)CC2 ZINC000354811476 528149987 /nfs/dbraw/zinc/14/99/87/528149987.db2.gz DWINSNVLTUGIEA-KRWDZBQOSA-N -1 1 296.370 3.328 20 0 CGADMM CCOc1cc(NC(=O)c2ccc([O-])cc2F)ccc1C ZINC000436726434 528322694 /nfs/dbraw/zinc/32/26/94/528322694.db2.gz XQQCZZRGJGZFDB-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM CCOc1ccc(S(=O)(=O)[N-]c2cscc2C)cc1 ZINC000161597609 528588934 /nfs/dbraw/zinc/58/89/34/528588934.db2.gz FMGRAJSNUABKLC-UHFFFAOYSA-N -1 1 297.401 3.256 20 0 CGADMM CC(C)[C@@H]1C[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436879344 528774187 /nfs/dbraw/zinc/77/41/87/528774187.db2.gz MHEGCDDUXZRGOI-QWRGUYRKSA-N -1 1 262.284 3.341 20 0 CGADMM CC[C@H](C)[C@@H](OC)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436869934 529227691 /nfs/dbraw/zinc/22/76/91/529227691.db2.gz CIHZWBGPTKWHOO-QPUJVOFHSA-N -1 1 280.299 3.315 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2ccccc2)n1 ZINC000005154963 536092280 /nfs/dbraw/zinc/09/22/80/536092280.db2.gz HXPLJOFPCDKBLS-JTQLQIEISA-N -1 1 260.362 3.186 20 0 CGADMM Fc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000737657437 571798184 /nfs/dbraw/zinc/79/81/84/571798184.db2.gz VNJGFUWBTUMRDT-UHFFFAOYSA-N -1 1 292.220 3.076 20 0 CGADMM Fc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000737657437 571798188 /nfs/dbraw/zinc/79/81/88/571798188.db2.gz VNJGFUWBTUMRDT-UHFFFAOYSA-N -1 1 292.220 3.076 20 0 CGADMM Cc1cc(CN2CCc3c(C)cccc3C2)oc1C(=O)[O-] ZINC000738383704 572373482 /nfs/dbraw/zinc/37/34/82/572373482.db2.gz CYFADUBTFAJMFI-UHFFFAOYSA-N -1 1 285.343 3.153 20 0 CGADMM c1cc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nc(-c2nnn[n-]2)c1 ZINC000738413017 572374383 /nfs/dbraw/zinc/37/43/83/572374383.db2.gz LNXZQKZQECDPSY-JHJVBQTASA-N -1 1 298.394 3.033 20 0 CGADMM c1cc(N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nc(-c2nn[n-]n2)c1 ZINC000738413017 572374387 /nfs/dbraw/zinc/37/43/87/572374387.db2.gz LNXZQKZQECDPSY-JHJVBQTASA-N -1 1 298.394 3.033 20 0 CGADMM O=C(Nc1cccc(-n2cccc2)c1)c1ccc(O)cc1[O-] ZINC000731459426 572413469 /nfs/dbraw/zinc/41/34/69/572413469.db2.gz LRIYGLVMCHYZPE-UHFFFAOYSA-N -1 1 294.310 3.141 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CNC1(c2ccc(F)cc2)CC1 ZINC000738962445 572541023 /nfs/dbraw/zinc/54/10/23/572541023.db2.gz AAJNTHMCZLKFFZ-UHFFFAOYSA-N -1 1 289.306 3.204 20 0 CGADMM CS[C@@H]1CCC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000735332034 572715056 /nfs/dbraw/zinc/71/50/56/572715056.db2.gz VTDZCMNWZSLSIL-VHSXEESVSA-N -1 1 299.823 3.450 20 0 CGADMM C/C(=C\CSc1nc(CCC2CCCC2)n[nH]1)C(=O)[O-] ZINC000736121401 572769770 /nfs/dbraw/zinc/76/97/70/572769770.db2.gz NBAGDWYTZOAIIC-CSKARUKUSA-N -1 1 295.408 3.051 20 0 CGADMM C/C(=C\CSc1nnc(CCC2CCCC2)[nH]1)C(=O)[O-] ZINC000736121401 572769772 /nfs/dbraw/zinc/76/97/72/572769772.db2.gz NBAGDWYTZOAIIC-CSKARUKUSA-N -1 1 295.408 3.051 20 0 CGADMM Cc1cc(C)cc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000737253292 572867678 /nfs/dbraw/zinc/86/76/78/572867678.db2.gz QARNIKOSUKWHKR-LBPRGKRZSA-N -1 1 294.362 3.052 20 0 CGADMM Cc1cc(C)cc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737253292 572867681 /nfs/dbraw/zinc/86/76/81/572867681.db2.gz QARNIKOSUKWHKR-LBPRGKRZSA-N -1 1 294.362 3.052 20 0 CGADMM CCN(Cc1cccs1)[C@H](C(=O)[O-])c1ccccc1 ZINC000048970668 572886845 /nfs/dbraw/zinc/88/68/45/572886845.db2.gz PXXHBWIAQRFLHQ-AWEZNQCLSA-N -1 1 275.373 3.396 20 0 CGADMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000749616165 573023904 /nfs/dbraw/zinc/02/39/04/573023904.db2.gz AKNMWPSOTLIZGQ-MELADBBJSA-N -1 1 295.766 3.018 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1C[C@H]2CCCC[C@@H]2C1 ZINC000750251276 573105446 /nfs/dbraw/zinc/10/54/46/573105446.db2.gz PIMJHKBSGKWJOR-GHMZBOCLSA-N -1 1 279.767 3.308 20 0 CGADMM CCc1ccc(CC)c(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821480694 607319477 /nfs/dbraw/zinc/31/94/77/607319477.db2.gz DFZZWDSIKHJIFR-UHFFFAOYSA-N -1 1 297.362 3.197 20 0 CGADMM CCc1ccc(CC)c(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821480694 607319478 /nfs/dbraw/zinc/31/94/78/607319478.db2.gz DFZZWDSIKHJIFR-UHFFFAOYSA-N -1 1 297.362 3.197 20 0 CGADMM CCc1ccc([C@H](C)NCc2cccc(C(=O)[O-])c2)o1 ZINC000820480149 598192367 /nfs/dbraw/zinc/19/23/67/598192367.db2.gz YLGRLXGCWVVLCH-NSHDSACASA-N -1 1 273.332 3.391 20 0 CGADMM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1)c1cc(F)ccc1F ZINC000050508434 600422005 /nfs/dbraw/zinc/42/20/05/600422005.db2.gz SFWLRPQHJNKNOT-ZUZCIYMTSA-N -1 1 291.297 3.441 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1cccc(Br)c1 ZINC000899346369 620648057 /nfs/dbraw/zinc/64/80/57/620648057.db2.gz LCOHDVNGKVAVNC-UHFFFAOYSA-N -1 1 293.164 3.342 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc(F)c(C#N)c1 ZINC000319062552 602235102 /nfs/dbraw/zinc/23/51/02/602235102.db2.gz NYJOMZDBEIQGBN-UHFFFAOYSA-N -1 1 298.317 3.028 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(Cl)cc2F)c1=O ZINC000899361473 620665717 /nfs/dbraw/zinc/66/57/17/620665717.db2.gz ZVQMNYLWOVDBGU-SECBINFHSA-N -1 1 254.692 3.228 20 0 CGADMM Cc1cccc([C@H]2CCCN2Cc2occc2C(=O)[O-])n1 ZINC000832967031 604367539 /nfs/dbraw/zinc/36/75/39/604367539.db2.gz AEEYVWZNMDDPTB-CQSZACIVSA-N -1 1 286.331 3.018 20 0 CGADMM C[C@@H](c1ccccc1F)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833549694 604532720 /nfs/dbraw/zinc/53/27/20/604532720.db2.gz NGEKHFSPFDFJNR-JTQLQIEISA-N -1 1 276.311 3.045 20 0 CGADMM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccccc1Cl ZINC000827716797 604985440 /nfs/dbraw/zinc/98/54/40/604985440.db2.gz BCEOWEKACSCLLM-HZMBPMFUSA-N -1 1 290.750 3.212 20 0 CGADMM C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833548088 605104320 /nfs/dbraw/zinc/10/43/20/605104320.db2.gz LVKPZTIJTOFOMS-SNVBAGLBSA-N -1 1 276.311 3.045 20 0 CGADMM C[C@H](c1c(F)cccc1F)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833828463 605886718 /nfs/dbraw/zinc/88/67/18/605886718.db2.gz DVSOTFCGPPKJFM-MXWKQRLJSA-N -1 1 298.333 3.004 20 0 CGADMM CCCC(CCC)Sc1cccc(-c2nnn[n-]2)n1 ZINC000825241824 607897969 /nfs/dbraw/zinc/89/79/69/607897969.db2.gz AUWQMWDKDWPSJH-UHFFFAOYSA-N -1 1 277.397 3.323 20 0 CGADMM CCCC(CCC)Sc1cccc(-c2nn[n-]n2)n1 ZINC000825241824 607897970 /nfs/dbraw/zinc/89/79/70/607897970.db2.gz AUWQMWDKDWPSJH-UHFFFAOYSA-N -1 1 277.397 3.323 20 0 CGADMM CSC1(CNC(=O)c2ccc([O-])c(F)c2)CCCCC1 ZINC000899469383 620701215 /nfs/dbraw/zinc/70/12/15/620701215.db2.gz SFDWCFYQFLNQPT-UHFFFAOYSA-N -1 1 297.395 3.327 20 0 CGADMM CCC1=NO[C@@H](c2nc(=O)c3c(C(C)C)csc3[n-]2)C1 ZINC000084735413 618247944 /nfs/dbraw/zinc/24/79/44/618247944.db2.gz ITCQCGKWZFLJMF-SNVBAGLBSA-N -1 1 291.376 3.335 20 0 CGADMM O=C([N-]CCCSCc1ccccc1F)C(F)(F)F ZINC000091606044 618698684 /nfs/dbraw/zinc/69/86/84/618698684.db2.gz ZBDNLNSJTUYWNW-UHFFFAOYSA-N -1 1 295.301 3.128 20 0 CGADMM CS[C@H]1CC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000075178215 618766238 /nfs/dbraw/zinc/76/62/38/618766238.db2.gz GOIRRWLGWMQCII-ZJUUUORDSA-N -1 1 285.796 3.060 20 0 CGADMM Cc1cnc(CSc2nc(C3CC3)cc(=O)[n-]2)s1 ZINC000195083679 619146496 /nfs/dbraw/zinc/14/64/96/619146496.db2.gz UOMKQCAUDAPFSK-UHFFFAOYSA-N -1 1 279.390 3.117 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H]1C1CCCC1 ZINC000889405498 619293315 /nfs/dbraw/zinc/29/33/15/619293315.db2.gz RAQJWVPZLKUGKY-LBPRGKRZSA-N -1 1 279.767 3.450 20 0 CGADMM Cc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])s1 ZINC000147673702 619849315 /nfs/dbraw/zinc/84/93/15/619849315.db2.gz AMHRZFLOKVTTPH-SECBINFHSA-N -1 1 279.336 3.392 20 0 CGADMM CC(C)(/C=C\Cl)NC(=O)c1c([O-])cccc1Cl ZINC000928929806 620267000 /nfs/dbraw/zinc/26/70/00/620267000.db2.gz LVMGUBCRVQNBJW-SREVYHEPSA-N -1 1 274.147 3.307 20 0 CGADMM CC(C)Cn1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000901163587 620839119 /nfs/dbraw/zinc/83/91/19/620839119.db2.gz WTFJVICKZAPQLU-UHFFFAOYSA-N -1 1 293.754 3.150 20 0 CGADMM O=C([O-])[C@@H]1CCC[C@@H]1N[C@@H](CCc1ccccc1)C(F)F ZINC000901486041 620910127 /nfs/dbraw/zinc/91/01/27/620910127.db2.gz UUKCIJNRMVFQMT-RDBSUJKOSA-N -1 1 297.345 3.096 20 0 CGADMM Cc1cc(C)c(/C=C\CN2CC[C@](F)(C(=O)[O-])C2)cc1C ZINC000901516833 620923685 /nfs/dbraw/zinc/92/36/85/620923685.db2.gz GRECPWMOJQLDDJ-VGOKWCNXSA-N -1 1 291.366 3.124 20 0 CGADMM Cc1cc([C@H](N[C@@H](C)c2ccccn2)C(=O)[O-])ccc1F ZINC000901845422 621051257 /nfs/dbraw/zinc/05/12/57/621051257.db2.gz ZJQFKMZBDDQHDF-NHYWBVRUSA-N -1 1 288.322 3.006 20 0 CGADMM O=C([O-])COc1ccc(CN2CC[C@@H]2c2ccccc2)cc1 ZINC000902512850 621352125 /nfs/dbraw/zinc/35/21/25/621352125.db2.gz PNPSIAXNGYTUGP-QGZVFWFLSA-N -1 1 297.354 3.097 20 0 CGADMM O=C([O-])c1ccc2[nH]cc(C3CCN(CCF)CC3)c2c1 ZINC000903636063 621782401 /nfs/dbraw/zinc/78/24/01/621782401.db2.gz ROJDKFCBBRGWKP-UHFFFAOYSA-N -1 1 290.338 3.015 20 0 CGADMM C[C@H](c1ccc(F)cc1)N(C)Cc1cncc(C(=O)[O-])c1 ZINC000903885296 621826615 /nfs/dbraw/zinc/82/66/15/621826615.db2.gz KZTADKUZLLMNAM-LLVKDONJSA-N -1 1 288.322 3.112 20 0 CGADMM CC(C)(C)C1CCC(CNCC(F)(F)C(=O)[O-])CC1 ZINC000904032604 621855865 /nfs/dbraw/zinc/85/58/65/621855865.db2.gz SBECHLKDHSTTAI-UHFFFAOYSA-N -1 1 277.355 3.148 20 0 CGADMM Cc1csc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)n1 ZINC000904045892 621859101 /nfs/dbraw/zinc/85/91/01/621859101.db2.gz QTHKEFRHFYLCDI-ZDUSSCGKSA-N -1 1 290.388 3.066 20 0 CGADMM COc1cnc(C=Cc2ccccc2C2CC2)[n-]c1=O ZINC000905076143 622036845 /nfs/dbraw/zinc/03/68/45/622036845.db2.gz AYQPYNAULCXHIN-CMDGGOBGSA-N -1 1 268.316 3.239 20 0 CGADMM CC1(C)C[C@@H](NCc2ccc(C(=O)[O-])cn2)c2ccccc21 ZINC000905725783 622100867 /nfs/dbraw/zinc/10/08/67/622100867.db2.gz ZCBGJQAZORXUHZ-MRXNPFEDSA-N -1 1 296.370 3.292 20 0 CGADMM Cc1ccc(C2(NCc3ccc(C(=O)[O-])cn3)CCC2)cc1 ZINC000905726096 622100889 /nfs/dbraw/zinc/10/08/89/622100889.db2.gz HGFZDQNPLGKTBQ-UHFFFAOYSA-N -1 1 296.370 3.257 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)C1CCCC1 ZINC000908718200 622367070 /nfs/dbraw/zinc/36/70/70/622367070.db2.gz SIRIEEMZBOHCKH-UHFFFAOYSA-N -1 1 284.153 3.283 20 0 CGADMM O=C(/C=C/C1CC1)Nc1cccc([O-])c1Br ZINC000908713386 622370016 /nfs/dbraw/zinc/37/00/16/622370016.db2.gz RHMQYDUIYARJOI-VOTSOKGWSA-N -1 1 282.137 3.059 20 0 CGADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909971997 622440219 /nfs/dbraw/zinc/44/02/19/622440219.db2.gz KBTPLRIEPMWHRZ-HTQZYQBOSA-N -1 1 269.291 3.291 20 0 CGADMM CC1(C)CO[C@H](CCC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909971515 622440336 /nfs/dbraw/zinc/44/03/36/622440336.db2.gz DMWKMRZTWCVMJK-SECBINFHSA-N -1 1 299.317 3.204 20 0 CGADMM Cc1nc(C2CC2)oc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985815 622442112 /nfs/dbraw/zinc/44/21/12/622442112.db2.gz QDMQGIAALFMGJH-UHFFFAOYSA-N -1 1 294.257 3.097 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCC(F)(F)C1 ZINC000909986843 622442812 /nfs/dbraw/zinc/44/28/12/622442812.db2.gz UUFKOOUTCVQHHZ-LURJTMIESA-N -1 1 277.217 3.044 20 0 CGADMM C[C@@H]1CCC[C@H](OCC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909981456 622445429 /nfs/dbraw/zinc/44/54/29/622445429.db2.gz QFNACGXGKWVFDU-ZJUUUORDSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1C[C@@H]1C1CCCC1 ZINC000909988229 622446328 /nfs/dbraw/zinc/44/63/28/622446328.db2.gz AOJIPCFAAJUEIK-NXEZZACHSA-N -1 1 281.302 3.435 20 0 CGADMM CCC1(C(=O)Nc2cc(F)cc(F)c2[O-])CCC1 ZINC000910981511 622512291 /nfs/dbraw/zinc/51/22/91/622512291.db2.gz HAVCQSYTCSZSCH-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM O=C(CC1CCCC1)Nc1cc(F)cc(F)c1[O-] ZINC000910980674 622512542 /nfs/dbraw/zinc/51/25/42/622512542.db2.gz WZHSDUWWRJAPLN-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM CC[C@H](CC(F)F)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910985641 622513334 /nfs/dbraw/zinc/51/33/34/622513334.db2.gz BBNDPDXJBPINCR-ZCFIWIBFSA-N -1 1 279.233 3.290 20 0 CGADMM C/C(=C(\F)C(=O)Nc1cc(F)cc(F)c1[O-])C1CC1 ZINC000910990073 622514215 /nfs/dbraw/zinc/51/42/15/622514215.db2.gz HIJDMRXJABDOJD-IZZDOVSWSA-N -1 1 271.238 3.262 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCCC(F)(F)C1 ZINC000910990132 622514445 /nfs/dbraw/zinc/51/44/45/622514445.db2.gz JJQBLPBUWWFJLU-SSDOTTSWSA-N -1 1 291.244 3.434 20 0 CGADMM CCCCC[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000228836053 623080593 /nfs/dbraw/zinc/08/05/93/623080593.db2.gz KYOQWHMBQNMLKD-JTQLQIEISA-N -1 1 253.317 3.230 20 0 CGADMM Cc1nc(SCc2coc(C(C)(C)C)n2)[n-]c(=O)c1C ZINC000917419184 624266851 /nfs/dbraw/zinc/26/68/51/624266851.db2.gz KPPWEVRBJTUQPN-UHFFFAOYSA-N -1 1 293.392 3.377 20 0 CGADMM Cc1cc(C=C2SC(=S)[N-]C2=O)ccc1Cl ZINC000182201578 624953912 /nfs/dbraw/zinc/95/39/12/624953912.db2.gz ZYDXUTILBUDBMV-WEVVVXLNSA-N -1 1 269.778 3.137 20 0 CGADMM CC(Cl)(Cl)C(=O)[N-]Nc1c(F)cccc1Cl ZINC000184664876 625259776 /nfs/dbraw/zinc/25/97/76/625259776.db2.gz FDXNXKLCWRZSSU-UHFFFAOYSA-N -1 1 285.533 3.116 20 0 CGADMM CCCCCC(C)(C)C(=O)NCc1n[n-]c(=S)n1CC ZINC000084599294 625765872 /nfs/dbraw/zinc/76/58/72/625765872.db2.gz WUIWBKYMZLWCTQ-UHFFFAOYSA-N -1 1 298.456 3.183 20 0 CGADMM O=C1Nc2ccccc2/C1=C/c1ccc([O-])c(F)c1 ZINC000755570517 626630119 /nfs/dbraw/zinc/63/01/19/626630119.db2.gz JTDGQWRIELHSGI-XFFZJAGNSA-N -1 1 255.248 3.024 20 0 CGADMM O=C([N-]Cc1ccc(C2CCC2)cc1)C(F)(F)F ZINC000757642970 626797073 /nfs/dbraw/zinc/79/70/73/626797073.db2.gz CZHSNPXNOSGULE-UHFFFAOYSA-N -1 1 257.255 3.133 20 0 CGADMM C[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)CCS1 ZINC000757645146 626797122 /nfs/dbraw/zinc/79/71/22/626797122.db2.gz JKBOVLATLRCTQU-SECBINFHSA-N -1 1 285.796 3.013 20 0 CGADMM CC(C)c1ccc(O[C@H](C)C[N-]C(=O)C(F)(F)F)cc1 ZINC000805221058 627023359 /nfs/dbraw/zinc/02/33/59/627023359.db2.gz FHBKFHVHYGALCV-SNVBAGLBSA-N -1 1 289.297 3.256 20 0 CGADMM O=c1cc(C2CC2)nc(SC/C(Cl)=C\Cl)[n-]1 ZINC000767081313 627381351 /nfs/dbraw/zinc/38/13/51/627381351.db2.gz CHXNPGXGDBSULC-QPJJXVBHSA-N -1 1 277.176 3.471 20 0 CGADMM CCc1ccc(C(=O)Nc2ccc(F)cc2[O-])s1 ZINC000768257632 627470718 /nfs/dbraw/zinc/47/07/18/627470718.db2.gz HHHNRQMMWQZDDI-UHFFFAOYSA-N -1 1 265.309 3.408 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1c([O-])cccc1Cl ZINC000769762284 627576643 /nfs/dbraw/zinc/57/66/43/627576643.db2.gz ATTGIQSQQGZHKM-NXEZZACHSA-N -1 1 267.756 3.449 20 0 CGADMM CC(C)N(C(=O)c1c([O-])cccc1Cl)C1CCC1 ZINC000769910407 627588715 /nfs/dbraw/zinc/58/87/15/627588715.db2.gz KIVFXEDDAYSGRQ-UHFFFAOYSA-N -1 1 267.756 3.449 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H]2CCC[C@H]21 ZINC000769921153 627589946 /nfs/dbraw/zinc/58/99/46/627589946.db2.gz KMUWFXOLZCSWML-CMPLNLGQSA-N -1 1 279.767 3.450 20 0 CGADMM O=C(CCn1ccc2ccccc21)[N-]Oc1ccccc1 ZINC000773459909 627885933 /nfs/dbraw/zinc/88/59/33/627885933.db2.gz DSWSCDMAWQCWJR-UHFFFAOYSA-N -1 1 280.327 3.142 20 0 CGADMM O=C(OCCCCC(F)(F)F)c1ccc([O-])cc1F ZINC000773574299 627898205 /nfs/dbraw/zinc/89/82/05/627898205.db2.gz DOBVNIKYLPVNNE-UHFFFAOYSA-N -1 1 280.217 3.421 20 0 CGADMM O=C([N-]Oc1ccccc1F)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000874910372 634649537 /nfs/dbraw/zinc/64/95/37/634649537.db2.gz QGJUULXSAIQOAV-RKDXNWHRSA-N -1 1 291.244 3.214 20 0 CGADMM O=C(OCc1sc2ccccc2c1Cl)c1cn[n-]n1 ZINC000805608041 628351975 /nfs/dbraw/zinc/35/19/75/628351975.db2.gz WRRWENSVYJEFCQ-UHFFFAOYSA-N -1 1 293.735 3.030 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2ccc(Oc3ccccc3)o2)S1 ZINC000874929340 634653732 /nfs/dbraw/zinc/65/37/32/634653732.db2.gz ZPCUZCFDAUDDGS-DHZHZOJOSA-N -1 1 287.296 3.396 20 0 CGADMM CCCC1(C(=O)Nc2nc(Br)ccc2[O-])CC1 ZINC000783904679 628756427 /nfs/dbraw/zinc/75/64/27/628756427.db2.gz ICWFKGBVCRYKBO-UHFFFAOYSA-N -1 1 299.168 3.069 20 0 CGADMM C[C@H]1CCC[C@@H](C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000789930030 629174396 /nfs/dbraw/zinc/17/43/96/629174396.db2.gz NRLFTDMZYDYNGW-DTWKUNHWSA-N -1 1 268.744 3.205 20 0 CGADMM CCC(F)(F)C[N-]C(=O)C(F)(F)c1ccccc1F ZINC000862899932 629447343 /nfs/dbraw/zinc/44/73/43/629447343.db2.gz DMDWTOIVQBAWIC-UHFFFAOYSA-N -1 1 281.224 3.079 20 0 CGADMM CC[C@H]([N-]C(=O)C(F)(F)Cc1ccccc1)C(F)(F)F ZINC000793943058 629508028 /nfs/dbraw/zinc/50/80/28/629508028.db2.gz LBVSNGMDKHUGDG-JTQLQIEISA-N -1 1 295.251 3.322 20 0 CGADMM C[C@@H]1CC/C(=C\C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000863476324 629583845 /nfs/dbraw/zinc/58/38/45/629583845.db2.gz ADTJWQRFIUSIJJ-RVROTUBLSA-N -1 1 297.358 3.263 20 0 CGADMM Cc1nc(SCOCC(C)C)[n-]c(=O)c1C1CC1 ZINC000865372978 630081537 /nfs/dbraw/zinc/08/15/37/630081537.db2.gz AMGLNXLQBKGXLW-UHFFFAOYSA-N -1 1 268.382 3.090 20 0 CGADMM CO[C@@H](COC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000801852430 630360188 /nfs/dbraw/zinc/36/01/88/630360188.db2.gz BRCHIVMLRZEUBR-HNNXBMFYSA-N -1 1 290.290 3.076 20 0 CGADMM O=C(OC[C@@H]1Cc2ccccc21)c1c([O-])cc(F)cc1F ZINC000803322290 630464264 /nfs/dbraw/zinc/46/42/64/630464264.db2.gz ZYFMDNPHIBILAL-JTQLQIEISA-N -1 1 290.265 3.167 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]2C[C@@H]21 ZINC000804299048 630517468 /nfs/dbraw/zinc/51/74/68/630517468.db2.gz PDTXBRXWAYGMKS-KCJUWKMLSA-N -1 1 285.265 3.036 20 0 CGADMM CC(C)[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876394351 634826475 /nfs/dbraw/zinc/82/64/75/634826475.db2.gz UHYGTGDFXSXVIA-GFCCVEGCSA-N -1 1 296.798 3.233 20 0 CGADMM CC[C@@](C)(NC(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000876400243 634827766 /nfs/dbraw/zinc/82/77/66/634827766.db2.gz WYOSPIMPHQKOII-OAHLLOKOSA-N -1 1 296.798 3.424 20 0 CGADMM CC[C@@H](C(=O)[N-]OCCC1CC1)c1ccc(F)cc1 ZINC000817445925 632161186 /nfs/dbraw/zinc/16/11/86/632161186.db2.gz BZFGZXJHPCIMNU-CQSZACIVSA-N -1 1 265.328 3.167 20 0 CGADMM CCC1(CC)CN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000818113797 632289524 /nfs/dbraw/zinc/28/95/24/632289524.db2.gz QHACEYWUKZCUEL-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM O=S(=O)([N-][C@@]12C[C@@H]1CCCC2)c1cc2ccccc2o1 ZINC000867627412 633255834 /nfs/dbraw/zinc/25/58/34/633255834.db2.gz WRNWPTFWMBRCOK-WFASDCNBSA-N -1 1 291.372 3.044 20 0 CGADMM O=C(C[C@H]1CC=CCC1)NCc1ccc([O-])c(Cl)c1 ZINC000828849966 633660707 /nfs/dbraw/zinc/66/07/07/633660707.db2.gz FULQETJTLKQVAU-NSHDSACASA-N -1 1 279.767 3.408 20 0 CGADMM O=C(NOCCCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000871212428 633729454 /nfs/dbraw/zinc/72/94/54/633729454.db2.gz UKYSBBGPYUSXRP-UHFFFAOYSA-N -1 1 297.660 3.050 20 0 CGADMM CCc1[n-]n(-c2cc(C)ccc2Br)c(=O)c1F ZINC000871958738 633928517 /nfs/dbraw/zinc/92/85/17/633928517.db2.gz JETAJNVVDYJXHN-LLVKDONJSA-N -1 1 299.143 3.208 20 0 CGADMM CCCc1[n-]n(C[C@@H]2CCCC2(F)F)c(=O)c1CC ZINC000871963478 633930547 /nfs/dbraw/zinc/93/05/47/633930547.db2.gz NWQPOYIDNAOBDH-WDEREUQCSA-N -1 1 272.339 3.446 20 0 CGADMM C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872882889 634218214 /nfs/dbraw/zinc/21/82/14/634218214.db2.gz KDHBWNZAZRZNIA-CABZTGNLSA-N -1 1 282.771 3.033 20 0 CGADMM CC[C@H](CC(F)F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821755 634247915 /nfs/dbraw/zinc/24/79/15/634247915.db2.gz FXIYTOVTMDVVFV-SECBINFHSA-N -1 1 291.725 3.343 20 0 CGADMM CSCC(C)(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834827023 634249208 /nfs/dbraw/zinc/24/92/08/634249208.db2.gz VXRACHHCHYMHBS-UHFFFAOYSA-N -1 1 287.812 3.051 20 0 CGADMM O=C(C=C1CCSCC1)NCc1ccc([O-])c(Cl)c1 ZINC000834826550 634249664 /nfs/dbraw/zinc/24/96/64/634249664.db2.gz TVKNTUFZRATHBU-UHFFFAOYSA-N -1 1 297.807 3.115 20 0 CGADMM O=C(CCC1CCC1)NCc1ccc([O-])c(Cl)c1 ZINC000834828839 634249767 /nfs/dbraw/zinc/24/97/67/634249767.db2.gz BAVBFIRUQFIXOO-UHFFFAOYSA-N -1 1 267.756 3.242 20 0 CGADMM Cc1ccc([C@H](C)C(=O)NCc2ccc([O-])c(Cl)c2)o1 ZINC000834828963 634250582 /nfs/dbraw/zinc/25/05/82/634250582.db2.gz FSUAGFVENHYXJK-JTQLQIEISA-N -1 1 293.750 3.367 20 0 CGADMM O=C(NCCC1CC(F)(F)C1)c1c([O-])cccc1Cl ZINC000837218813 634873325 /nfs/dbraw/zinc/87/33/25/634873325.db2.gz HZQVOSBMPZUNQB-UHFFFAOYSA-N -1 1 289.709 3.211 20 0 CGADMM CCOC[C@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000837985914 635015318 /nfs/dbraw/zinc/01/53/18/635015318.db2.gz SPPDQACKRYRIIR-LLVKDONJSA-N -1 1 297.782 3.077 20 0 CGADMM Cc1ccc2c(c1)C(=O)N[C@@H](c1cccc([O-])c1Cl)N2 ZINC000877862053 635244208 /nfs/dbraw/zinc/24/42/08/635244208.db2.gz GDCCRKVNBLQENK-AWEZNQCLSA-N -1 1 288.734 3.208 20 0 CGADMM CCON(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C)C ZINC000844074291 635812015 /nfs/dbraw/zinc/81/20/15/635812015.db2.gz PVPOOVGDCMKLPC-UHFFFAOYSA-N -1 1 291.269 3.213 20 0 CGADMM O=C(C[C@@H]1C[C@H]1C1CC1)NCc1ccc([O-])c(Cl)c1 ZINC000881459998 636112194 /nfs/dbraw/zinc/11/21/94/636112194.db2.gz OIUJXKFSOPHPST-RYUDHWBXSA-N -1 1 279.767 3.098 20 0 CGADMM CCc1nc(SCCc2cccs2)[n-]c(=O)c1C ZINC000849921475 636909147 /nfs/dbraw/zinc/90/91/47/636909147.db2.gz NZHMSYASAFVNEC-UHFFFAOYSA-N -1 1 280.418 3.449 20 0 CGADMM O=C(CCCC1CCCCC1)[N-]OCC(F)(F)F ZINC000135208553 637097268 /nfs/dbraw/zinc/09/72/68/637097268.db2.gz KRMTUVBRZNUFIV-UHFFFAOYSA-N -1 1 267.291 3.347 20 0 CGADMM CCCCO[C@@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674564 637283924 /nfs/dbraw/zinc/28/39/24/637283924.db2.gz QKQALNPQXUQVBW-QMMMGPOBSA-N -1 1 289.734 3.328 20 0 CGADMM C[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C(C)(F)F ZINC000885677911 637284139 /nfs/dbraw/zinc/28/41/39/637284139.db2.gz CSMWLANDHUKOHJ-YFKPBYRVSA-N -1 1 281.661 3.415 20 0 CGADMM CC1(C)C[C@@H](n2[n-]c3c(c2=O)CCCCC3)C(C)(C)O1 ZINC000887296380 637791331 /nfs/dbraw/zinc/79/13/31/637791331.db2.gz AOCWWCQTTFTBCV-DGCLKSJQSA-N -1 1 278.396 3.111 20 0 CGADMM CCc1c(C)[n-]n(-c2cc(Cl)nc3ncccc23)c1=O ZINC000887295159 637792068 /nfs/dbraw/zinc/79/20/68/637792068.db2.gz YXDWKYMVAKPPBJ-SECBINFHSA-N -1 1 288.738 3.032 20 0 CGADMM CCc1cc(C(=O)[N-]c2nnc(C(CC)CC)s2)no1 ZINC000887657942 637882674 /nfs/dbraw/zinc/88/26/74/637882674.db2.gz WICXFCNJQCRMOW-UHFFFAOYSA-N -1 1 294.380 3.244 20 0 CGADMM CC(C)CCCCCCNC(=O)c1cncc([O-])c1 ZINC000111742337 637959381 /nfs/dbraw/zinc/95/93/81/637959381.db2.gz RICXCHRZIIKKQO-UHFFFAOYSA-N -1 1 264.369 3.124 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCCS1 ZINC000885675794 638035519 /nfs/dbraw/zinc/03/55/19/638035519.db2.gz AZNXDBYQDZHTCI-JTQLQIEISA-N -1 1 275.732 3.019 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1(F)CCCC1 ZINC000885678293 638047536 /nfs/dbraw/zinc/04/75/36/638047536.db2.gz MEPIGCTWIZATFY-UHFFFAOYSA-N -1 1 275.682 3.406 20 0 CGADMM CC[C@@H](C)[C@H](OC)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678760 638048735 /nfs/dbraw/zinc/04/87/35/638048735.db2.gz VOUHHHRUJULLDK-KRTXAFLBSA-N -1 1 289.734 3.184 20 0 CGADMM O=C(CSC1CC1)Nc1cc(F)c([O-])cc1Cl ZINC000885678944 638048778 /nfs/dbraw/zinc/04/87/78/638048778.db2.gz YOBCXJZJRRMYGI-UHFFFAOYSA-N -1 1 275.732 3.019 20 0 CGADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678757 638049003 /nfs/dbraw/zinc/04/90/03/638049003.db2.gz VOUHHHRUJULLDK-JMCQJSRRSA-N -1 1 289.734 3.184 20 0 CGADMM CCCCC[C@@H](C(=O)Nc1c(C)[n-][nH]c1=O)C(C)C ZINC000854634624 638079662 /nfs/dbraw/zinc/07/96/62/638079662.db2.gz FRXGIRIJTFJBSQ-LLVKDONJSA-N -1 1 267.373 3.215 20 0 CGADMM O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1[O-] ZINC000010429478 638224555 /nfs/dbraw/zinc/22/45/55/638224555.db2.gz CIXVACPVHLWYPI-UHFFFAOYSA-N -1 1 282.343 3.245 20 0 CGADMM CCc1ccc([C@H](C)C(=O)[N-]OCC2CCC2)cc1 ZINC000856346988 638347265 /nfs/dbraw/zinc/34/72/65/638347265.db2.gz BTTIXXQMICPJEC-LBPRGKRZSA-N -1 1 261.365 3.200 20 0 CGADMM CCCCN(CCCC)c1cc(Cl)[n-]c(=O)n1 ZINC000858342863 638687574 /nfs/dbraw/zinc/68/75/74/638687574.db2.gz TYZXWCMLCZGGTP-UHFFFAOYSA-N -1 1 257.765 3.242 20 0 CGADMM CCC1CCC(CNc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858360768 638692402 /nfs/dbraw/zinc/69/24/02/638692402.db2.gz XGEGQHXNGYJWOF-UHFFFAOYSA-N -1 1 269.776 3.464 20 0 CGADMM O=c1nc(N2CCCC3(CCCCC3)C2)cc(Cl)[n-]1 ZINC000858407162 638706441 /nfs/dbraw/zinc/70/64/41/638706441.db2.gz DMTMZOUOXVLOBL-UHFFFAOYSA-N -1 1 281.787 3.386 20 0 CGADMM CCO[C@H]1C[C@H](Nc2cc(Cl)[n-]c(=O)n2)C1(CC)CC ZINC000858437582 638719021 /nfs/dbraw/zinc/71/90/21/638719021.db2.gz GCROVMTXKWDRNB-UWVGGRQHSA-N -1 1 299.802 3.231 20 0 CGADMM COc1ccc(F)cc1-c1ccc([O-])c(F)c1F ZINC001250622457 805732646 /nfs/dbraw/zinc/73/26/46/805732646.db2.gz VEMGJRKAOIXRHZ-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COCOc1ccc2[nH]c(-c3c([O-])cccc3F)nc2c1 ZINC001250674727 805755063 /nfs/dbraw/zinc/75/50/63/805755063.db2.gz URJQTBAEGVTDLT-UHFFFAOYSA-N -1 1 288.278 3.057 20 0 CGADMM Cc1[nH]c(-c2nc3cccc(C)c3[nH]2)c(C)c1C(=O)[O-] ZINC001250876550 805791198 /nfs/dbraw/zinc/79/11/98/805791198.db2.gz KJFFDAGWKMAHPX-UHFFFAOYSA-N -1 1 269.304 3.181 20 0 CGADMM COc1cccc2[nH]c(-c3ccc([O-])c(F)c3F)nc21 ZINC001250912347 805797736 /nfs/dbraw/zinc/79/77/36/805797736.db2.gz BGRWQVHORRUWHE-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM [O-]c1ccc(-c2nc3c(cc(F)cc3F)[nH]2)c(F)c1F ZINC001250912574 805797792 /nfs/dbraw/zinc/79/77/92/805797792.db2.gz HEFOELYGBABQMN-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM Cc1cc2nc(-c3ccc(C(=O)[O-])o3)[nH]c2cc1Cl ZINC001250922944 805798539 /nfs/dbraw/zinc/79/85/39/805798539.db2.gz PRAZGTUPLFOAES-UHFFFAOYSA-N -1 1 276.679 3.483 20 0 CGADMM CCC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC001251149114 805854542 /nfs/dbraw/zinc/85/45/42/805854542.db2.gz NYNGCBXGZHSOSR-UHFFFAOYSA-N -1 1 289.356 3.080 20 0 CGADMM Cn1c(-c2cc(Cl)ncc2[O-])nc2ccc(F)c(F)c21 ZINC001251252102 805872247 /nfs/dbraw/zinc/87/22/47/805872247.db2.gz OZOWZFLFCQVBCI-UHFFFAOYSA-N -1 1 295.676 3.273 20 0 CGADMM Cc1cc2[nH]c(-c3cc(Cl)ncc3[O-])nc2cc1F ZINC001251251779 805873059 /nfs/dbraw/zinc/87/30/59/805873059.db2.gz IYKFMMZCLDWDSW-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM Cc1cc2nc(-c3cc(Cl)ncc3[O-])[nH]c2cc1F ZINC001251251779 805873073 /nfs/dbraw/zinc/87/30/73/805873073.db2.gz IYKFMMZCLDWDSW-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM Cc1cc(C(=O)Nc2ccc([O-])c(F)c2F)sc1C=O ZINC001157805793 805875151 /nfs/dbraw/zinc/87/51/51/805875151.db2.gz QITSQWZNEKFRES-UHFFFAOYSA-N -1 1 297.282 3.105 20 0 CGADMM [O-]c1ccc(F)c(-c2nc3cc4c(cc3[nH]2)CCO4)c1F ZINC001251335751 805884655 /nfs/dbraw/zinc/88/46/55/805884655.db2.gz PAEJCJMNLVUFCY-UHFFFAOYSA-N -1 1 288.253 3.149 20 0 CGADMM Cc1cc(C)nc(-c2nc3c([n-]2)c(F)cc(F)c3F)n1 ZINC001251807370 805939076 /nfs/dbraw/zinc/93/90/76/805939076.db2.gz MHFZRMQUZWGLLQ-UHFFFAOYSA-N -1 1 278.237 3.054 20 0 CGADMM Cc1cc(C)nc(-c2nc3c([n-]2)c(F)c(F)cc3F)n1 ZINC001251807370 805939083 /nfs/dbraw/zinc/93/90/83/805939083.db2.gz MHFZRMQUZWGLLQ-UHFFFAOYSA-N -1 1 278.237 3.054 20 0 CGADMM C/C(Cl)=C/C(=O)Nc1cccc([O-])c1Br ZINC001158830659 806011258 /nfs/dbraw/zinc/01/12/58/806011258.db2.gz AMXNHTRAAWQDRL-WAYWQWQTSA-N -1 1 290.544 3.236 20 0 CGADMM FC(F)(F)c1c[n-]c(-c2nnc(-c3ccccc3)o2)n1 ZINC001253108769 806169663 /nfs/dbraw/zinc/16/96/63/806169663.db2.gz XTEINJQXSMMWLV-UHFFFAOYSA-N -1 1 280.209 3.146 20 0 CGADMM FC(F)(F)c1cnc(-c2nnc(-c3ccccc3)o2)[n-]1 ZINC001253108769 806169669 /nfs/dbraw/zinc/16/96/69/806169669.db2.gz XTEINJQXSMMWLV-UHFFFAOYSA-N -1 1 280.209 3.146 20 0 CGADMM CCS(=O)(=O)[N-]c1cc(C(C)(C)C)sc1C(C)=O ZINC001253277873 806202251 /nfs/dbraw/zinc/20/22/51/806202251.db2.gz SORIKBUGDAOIQS-UHFFFAOYSA-N -1 1 289.422 3.010 20 0 CGADMM CCC(CC)Oc1ccc(F)cc1[N-]S(=O)(=O)CC ZINC001253366821 806210428 /nfs/dbraw/zinc/21/04/28/806210428.db2.gz KULVKFZPRDHDAJ-UHFFFAOYSA-N -1 1 289.372 3.155 20 0 CGADMM CCCS(=O)(=O)[N-]c1cccc2c(Cl)ccnc12 ZINC001253710665 806282031 /nfs/dbraw/zinc/28/20/31/806282031.db2.gz KQPOINRJYOPXNG-UHFFFAOYSA-N -1 1 284.768 3.040 20 0 CGADMM C[C@H](Cc1ccccc1)C(=O)Nc1cc([O-])c(F)cc1F ZINC001160917949 806321228 /nfs/dbraw/zinc/32/12/28/806321228.db2.gz WCQWSSCXUNLRLJ-SNVBAGLBSA-N -1 1 291.297 3.488 20 0 CGADMM CC[C@H](CC(=O)Nc1nc(Cl)ccc1[O-])C(C)C ZINC001161178945 806355797 /nfs/dbraw/zinc/35/57/97/806355797.db2.gz GCYKJFWCRUUCTB-SECBINFHSA-N -1 1 270.760 3.451 20 0 CGADMM [O-]c1c2ccsc2ccc1-c1nnc([C@H]2CCOC2)o1 ZINC001255531725 806665644 /nfs/dbraw/zinc/66/56/44/806665644.db2.gz WKTQFTPYIDQTSW-QMMMGPOBSA-N -1 1 288.328 3.161 20 0 CGADMM O=C([O-])CCN(Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000037593505 798870583 /nfs/dbraw/zinc/87/05/83/798870583.db2.gz JGBHKFPSZDENRI-UHFFFAOYSA-N -1 1 288.174 3.433 20 0 CGADMM CCc1cccc(Cl)c1CN=c1[n-]nc(C)n1C1CC1 ZINC000340701693 799286432 /nfs/dbraw/zinc/28/64/32/799286432.db2.gz PTTWWJJYERVECB-UHFFFAOYSA-N -1 1 290.798 3.171 20 0 CGADMM O=C(N[C@H]1CCCCC12CCCC2)c1ncccc1[O-] ZINC000380835984 799367902 /nfs/dbraw/zinc/36/79/02/799367902.db2.gz VPVPMUJFNPPPRJ-ZDUSSCGKSA-N -1 1 274.364 3.020 20 0 CGADMM O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1cccc([O-])c1Cl ZINC000381242737 799375104 /nfs/dbraw/zinc/37/51/04/799375104.db2.gz BOLBLLRMDYZQIW-GFCCVEGCSA-N -1 1 297.782 3.265 20 0 CGADMM O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cccc([O-])c1Cl ZINC000381242737 799375110 /nfs/dbraw/zinc/37/51/10/799375110.db2.gz BOLBLLRMDYZQIW-GFCCVEGCSA-N -1 1 297.782 3.265 20 0 CGADMM CC(C)CSCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000397116348 799513559 /nfs/dbraw/zinc/51/35/59/799513559.db2.gz IDJNDCPJCXNPMW-UHFFFAOYSA-N -1 1 287.812 3.165 20 0 CGADMM [O-]c1cccc(-c2nnc(Cc3ccccc3F)o2)c1F ZINC001255860370 806772996 /nfs/dbraw/zinc/77/29/96/806772996.db2.gz GWNICONIZRPDDF-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)Nc2c([O-])cccc2F)CC1 ZINC000705849510 799953921 /nfs/dbraw/zinc/95/39/21/799953921.db2.gz DGIHCBORMQRLMM-MGCOHNPYSA-N -1 1 266.316 3.232 20 0 CGADMM Cc1cc(CN2CC[C@](C)(C(F)(F)F)C2)oc1C(=O)[O-] ZINC000708923035 799999421 /nfs/dbraw/zinc/99/94/21/799999421.db2.gz BVEFANRZJBJENY-LBPRGKRZSA-N -1 1 291.269 3.061 20 0 CGADMM O=C([O-])c1csc(CN2CCC(C(F)(F)F)CC2)c1 ZINC000711468796 800061044 /nfs/dbraw/zinc/06/10/44/800061044.db2.gz LKCKHDZMJPSBHZ-UHFFFAOYSA-N -1 1 293.310 3.221 20 0 CGADMM Cc1cc(C)nc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000809470103 800439663 /nfs/dbraw/zinc/43/96/63/800439663.db2.gz VUWOMPKNUWDAKT-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM O=C(OC[C@@H]1C[C@H]1c1ccccc1)c1ccc([O-])cc1F ZINC000812591367 800449751 /nfs/dbraw/zinc/44/97/51/800449751.db2.gz CGXZRCOWMBPIEJ-WFASDCNBSA-N -1 1 286.302 3.492 20 0 CGADMM CCCOc1ccc(-c2nnc(-c3ccncc3[O-])o2)cc1 ZINC001256282812 806855478 /nfs/dbraw/zinc/85/54/78/806855478.db2.gz OWLPQCHYYSIPPT-UHFFFAOYSA-N -1 1 297.314 3.293 20 0 CGADMM CCC[C@@](C)(CC)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001256402721 806883319 /nfs/dbraw/zinc/88/33/19/806883319.db2.gz UIRCYFRYBLWLFM-MRXNPFEDSA-N -1 1 294.347 3.040 20 0 CGADMM Cc1ccc(Cl)c(C)c1NCC[N-]C(=O)C(F)(F)F ZINC001164250914 806923846 /nfs/dbraw/zinc/92/38/46/806923846.db2.gz GLQJWORLHIBQFN-UHFFFAOYSA-N -1 1 294.704 3.047 20 0 CGADMM C[C@H]1C[C@H]1c1nnc(Cc2ccc([O-])c(Cl)c2)o1 ZINC001256611892 806926476 /nfs/dbraw/zinc/92/64/76/806926476.db2.gz ZIVGJAAFQKTKSN-IONNQARKSA-N -1 1 264.712 3.143 20 0 CGADMM C[C@H]1C[C@@H]1c1nnc(-c2cnc(-c3ccccc3)[n-]c2=O)o1 ZINC001256707881 806951483 /nfs/dbraw/zinc/95/14/83/806951483.db2.gz CJBJGOCTZQFTEN-ONGXEEELSA-N -1 1 294.314 3.023 20 0 CGADMM COc1ccc(-c2cc(F)c([O-])c(F)c2)c(C)n1 ZINC001244093124 803180714 /nfs/dbraw/zinc/18/07/14/803180714.db2.gz BQEXILKKDUVUON-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CC1(C)NC(=O)c2cc(-c3cc(F)c([O-])c(F)c3)ccc21 ZINC001244094848 803182667 /nfs/dbraw/zinc/18/26/67/803182667.db2.gz BZPBEKIHPLGBOS-UHFFFAOYSA-N -1 1 289.281 3.316 20 0 CGADMM COc1cc(-c2cc(F)c([O-])c(F)c2)ccc1NC(C)=O ZINC001244097404 803185197 /nfs/dbraw/zinc/18/51/97/803185197.db2.gz OTPMREPAYLVALG-UHFFFAOYSA-N -1 1 293.269 3.304 20 0 CGADMM Cc1ccc(C2([N-]C(=O)C(F)(F)C(F)F)CCC2)cc1 ZINC001130537893 803288436 /nfs/dbraw/zinc/28/84/36/803288436.db2.gz XWKIPWFWTSUVSY-UHFFFAOYSA-N -1 1 289.272 3.391 20 0 CGADMM Cc1ccc([O-])c(-c2ncc3ccc(F)cc3n2)c1 ZINC001244402569 803350997 /nfs/dbraw/zinc/35/09/97/803350997.db2.gz XIKDWDIBQOARHT-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM CCOc1ccc(C(=O)[O-])cc1-c1ccc2nc[nH]c2c1 ZINC001244419350 803360898 /nfs/dbraw/zinc/36/08/98/803360898.db2.gz CQIFSRSSOPMAEZ-UHFFFAOYSA-N -1 1 282.299 3.327 20 0 CGADMM [O-]c1ccc(OC(F)(F)F)cc1-c1ncnc2ccoc21 ZINC001244457269 803379663 /nfs/dbraw/zinc/37/96/63/803379663.db2.gz YFAKPYAVIPYHOH-UHFFFAOYSA-N -1 1 296.204 3.494 20 0 CGADMM CCOc1ccnc(-c2cc(C)c([O-])c(Cl)c2)n1 ZINC001244530769 803422024 /nfs/dbraw/zinc/42/20/24/803422024.db2.gz ADNYUVIYKHISPD-UHFFFAOYSA-N -1 1 264.712 3.210 20 0 CGADMM Cc1cc(-c2ncc3ncsc3n2)cc(Cl)c1[O-] ZINC001244532655 803422712 /nfs/dbraw/zinc/42/27/12/803422712.db2.gz ZKWQMNNSLMJRFM-UHFFFAOYSA-N -1 1 277.736 3.421 20 0 CGADMM COC(=O)c1ccc(-c2cc(C)c([O-])c(Cl)c2)nc1F ZINC001244532660 803422904 /nfs/dbraw/zinc/42/29/04/803422904.db2.gz ZRAQSBABNGESGG-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COc1ccc(-c2cc(C)c([O-])c(Cl)c2)nc1OC ZINC001244536934 803423551 /nfs/dbraw/zinc/42/35/51/803423551.db2.gz QZRWZQBMKQZRGH-UHFFFAOYSA-N -1 1 279.723 3.433 20 0 CGADMM CCOc1cc(-c2cc(C)c([O-])c(Cl)c2)ncn1 ZINC001244536865 803424499 /nfs/dbraw/zinc/42/44/99/803424499.db2.gz QDEKCTBGBLQZJW-UHFFFAOYSA-N -1 1 264.712 3.210 20 0 CGADMM CCOC(=O)c1cccnc1-c1c(Cl)ccc([O-])c1F ZINC001244538280 803425017 /nfs/dbraw/zinc/42/50/17/803425017.db2.gz KLQMJSDUVKNSDZ-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM Cc1nc2c(c(-c3c(Cl)ccc([O-])c3F)n1)CCC2 ZINC001244538565 803426681 /nfs/dbraw/zinc/42/66/81/803426681.db2.gz NJNWWAPVGSCBNO-UHFFFAOYSA-N -1 1 278.714 3.439 20 0 CGADMM COC(=O)c1ccc(-c2c(Cl)ccc([O-])c2F)nc1C ZINC001244539329 803427075 /nfs/dbraw/zinc/42/70/75/803427075.db2.gz WBRYYKNETGHJFZ-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM O=C1NCc2c1cccc2-c1c(Cl)ccc([O-])c1F ZINC001244540211 803427895 /nfs/dbraw/zinc/42/78/95/803427895.db2.gz TUVDGHBZWCJZLU-UHFFFAOYSA-N -1 1 277.682 3.095 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccc(-n3ccnc3)nc2)c1F ZINC001244543751 803430722 /nfs/dbraw/zinc/43/07/22/803430722.db2.gz ZYTQCNBVDNFBFN-UHFFFAOYSA-N -1 1 289.697 3.432 20 0 CGADMM COC(=O)c1cnccc1-c1c(Cl)ccc([O-])c1F ZINC001244543630 803431000 /nfs/dbraw/zinc/43/10/00/803431000.db2.gz YDIQZOJFFBXFFT-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM COC(=O)c1cc(F)ncc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244551402 803433656 /nfs/dbraw/zinc/43/36/56/803433656.db2.gz ZDHLBDPNRFBFPW-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COC(=O)c1cnc(-c2cc(Cl)ccc2[O-])cc1C ZINC001245049407 803622388 /nfs/dbraw/zinc/62/23/88/803622388.db2.gz PGFCFCDNFJBZNJ-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM C[C@H]1CCC[C@@H](NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001136204180 803636696 /nfs/dbraw/zinc/63/66/96/803636696.db2.gz GMKJHNGQFZLPIK-WCQYABFASA-N -1 1 284.359 3.249 20 0 CGADMM O=C(NCCc1ccccc1Cl)c1ccc(F)c([O-])c1 ZINC001136472324 803644026 /nfs/dbraw/zinc/64/40/26/803644026.db2.gz YNXABJOOMDOJJQ-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM Cc1c(C(=O)[O-])cccc1-c1cccn2cncc12 ZINC001245300478 803695484 /nfs/dbraw/zinc/69/54/84/803695484.db2.gz NHBDXSGCOLKVCA-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM CCC1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCC1 ZINC001137229627 803701424 /nfs/dbraw/zinc/70/14/24/803701424.db2.gz RHBSXTAFFAMZSU-UHFFFAOYSA-N -1 1 287.281 3.474 20 0 CGADMM Cc1ncc(Nc2cc3ccc([O-])cc3oc2=O)s1 ZINC001212130466 814980606 /nfs/dbraw/zinc/98/06/06/814980606.db2.gz QKADRGSTXAWUCM-UHFFFAOYSA-N -1 1 274.301 3.007 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3nccnc3n2)c1Cl ZINC001245826747 803980655 /nfs/dbraw/zinc/98/06/55/803980655.db2.gz FKAKCDZTLMZDGX-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM CN(C)c1cccc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245827365 803982371 /nfs/dbraw/zinc/98/23/71/803982371.db2.gz OTDXAEJHCHFDKR-UHFFFAOYSA-N -1 1 266.703 3.313 20 0 CGADMM COc1cncc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245831962 803986474 /nfs/dbraw/zinc/98/64/74/803986474.db2.gz GDJMMCWCSFAZFI-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM COc1cccc(N)c1-c1c(F)ccc([O-])c1Cl ZINC001245831384 803987219 /nfs/dbraw/zinc/98/72/19/803987219.db2.gz DGQYEEZJRXYEDA-UHFFFAOYSA-N -1 1 267.687 3.443 20 0 CGADMM Nc1ccc(-c2cc(=O)n([C@@H]3CCc4ccccc43)[n-]2)cc1 ZINC001245938244 804069828 /nfs/dbraw/zinc/06/98/28/804069828.db2.gz VUJDVJDVUUPJOL-QGZVFWFLSA-N -1 1 291.354 3.374 20 0 CGADMM CCN(CC)c1ccc(-c2cc(=O)n(CC)[n-]2)cc1 ZINC001245942859 804076045 /nfs/dbraw/zinc/07/60/45/804076045.db2.gz DSFKHIZLUWJRLH-UHFFFAOYSA-N -1 1 259.353 3.122 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc(F)c([O-])c2)[C@@H]1C ZINC001139522945 804200431 /nfs/dbraw/zinc/20/04/31/804200431.db2.gz DYLAWPITBUACAR-NQBHXWOUSA-N -1 1 279.355 3.333 20 0 CGADMM Cc1[nH]c(CN(C)Cc2cccc(F)c2)c(C)c1C(=O)[O-] ZINC001140494135 804447471 /nfs/dbraw/zinc/44/74/71/804447471.db2.gz XPDFXMHEYGCOPN-UHFFFAOYSA-N -1 1 290.338 3.101 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@@H]1C1CCCC1 ZINC001142018952 804688918 /nfs/dbraw/zinc/68/89/18/804688918.db2.gz CPNQAEWARLABAY-CQSZACIVSA-N -1 1 277.339 3.326 20 0 CGADMM O=C(NC[C@@H]1CC2CCC1CC2)c1ccc(F)c([O-])c1 ZINC001142972241 804791377 /nfs/dbraw/zinc/79/13/77/804791377.db2.gz MHFMUAFAPXRRAX-XIVSLSHWSA-N -1 1 277.339 3.087 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2cccc([O-])c2F)s1 ZINC001143485140 804856177 /nfs/dbraw/zinc/85/61/77/804856177.db2.gz WWZYAMLLEUVFMW-UHFFFAOYSA-N -1 1 279.336 3.173 20 0 CGADMM CC(C)N(C(=O)c1cc(Cl)ccc1[O-])C1CC1 ZINC001143600131 804874344 /nfs/dbraw/zinc/87/43/44/804874344.db2.gz JRGQUVFVOIFSPH-UHFFFAOYSA-N -1 1 253.729 3.059 20 0 CGADMM CC(C)=CC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001143925997 804908530 /nfs/dbraw/zinc/90/85/30/804908530.db2.gz ITQOJVIBYNOSGB-UHFFFAOYSA-N -1 1 259.227 3.316 20 0 CGADMM C/C=C(\C)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001143944876 804912712 /nfs/dbraw/zinc/91/27/12/804912712.db2.gz IGOBCJUAECRBKA-XVNBXDOJSA-N -1 1 259.227 3.316 20 0 CGADMM [O-]c1cc(F)c(CN2Cc3ccccc3C2)c(F)c1 ZINC001144541201 805000899 /nfs/dbraw/zinc/00/08/99/805000899.db2.gz DECCSHJFLZJPDX-UHFFFAOYSA-N -1 1 261.271 3.186 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@H](C(F)(F)F)C2)c(F)c1 ZINC001144554787 805002858 /nfs/dbraw/zinc/00/28/58/805002858.db2.gz HONFEABJZBTZMX-ZETCQYMHSA-N -1 1 281.224 3.055 20 0 CGADMM [O-]c1cc(F)c(CN2Cc3cccc(F)c3C2)c(F)c1 ZINC001144555165 805003819 /nfs/dbraw/zinc/00/38/19/805003819.db2.gz XXTKVSLKHMIXIR-UHFFFAOYSA-N -1 1 279.261 3.325 20 0 CGADMM COc1cccc2c1CN(Cc1cc(F)c([O-])cc1F)C2 ZINC001144659911 805028021 /nfs/dbraw/zinc/02/80/21/805028021.db2.gz QPGNJGRYUPDNNT-UHFFFAOYSA-N -1 1 291.297 3.195 20 0 CGADMM CCCC[C@H](CC)C(=O)[N-]Oc1ccc(F)cc1 ZINC001146542982 805073515 /nfs/dbraw/zinc/07/35/15/805073515.db2.gz JRDCOBUSZHKPGR-NSHDSACASA-N -1 1 253.317 3.452 20 0 CGADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1ccco1 ZINC001147095281 805109060 /nfs/dbraw/zinc/10/90/60/805109060.db2.gz AEBZFLTVCKCQMD-UHFFFAOYSA-N -1 1 271.194 3.256 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ccc3nccn3c2)c1 ZINC001148505107 805191654 /nfs/dbraw/zinc/19/16/54/805191654.db2.gz AGKKWTHADIVIFH-UHFFFAOYSA-N -1 1 299.355 3.014 20 0 CGADMM CC[C@@H]1CCCN(Cc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001249777009 805242577 /nfs/dbraw/zinc/24/25/77/805242577.db2.gz SNJHDXSICFSCIM-SNVBAGLBSA-N -1 1 283.318 3.285 20 0 CGADMM COc1cccc(C(=O)Cc2ccc(Cl)c([O-])c2)c1 ZINC001249903184 805291797 /nfs/dbraw/zinc/29/17/97/805291797.db2.gz YWZHRFJEFJIDPW-UHFFFAOYSA-N -1 1 276.719 3.480 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccc2ccncc2c1 ZINC001151779464 805312637 /nfs/dbraw/zinc/31/26/37/805312637.db2.gz CNGRVINHIPFGIJ-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CCOc1ncccc1Nc1cc([O-])c(F)c(F)c1F ZINC001249960310 805326488 /nfs/dbraw/zinc/32/64/88/805326488.db2.gz AVZSQOOVBRLUSQ-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM [O-]c1cc(Nc2ccc(O)cc2F)c(F)c(F)c1F ZINC001249961723 805328316 /nfs/dbraw/zinc/32/83/16/805328316.db2.gz BZKFFPSSVKIKCQ-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM Cc1cc(Nc2cc([O-])c(F)c(F)c2F)n(CCF)n1 ZINC001249961085 805329767 /nfs/dbraw/zinc/32/97/67/805329767.db2.gz FFDZJUKRQSYHHT-UHFFFAOYSA-N -1 1 289.232 3.028 20 0 CGADMM Cn1cc2cccc(Nc3cc([O-])c(F)c(F)c3F)c2n1 ZINC001249963361 805331204 /nfs/dbraw/zinc/33/12/04/805331204.db2.gz OHKDGKBMWBHLOK-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM [O-]c1cc(F)c(Nc2ccnnc2Cl)cc1Cl ZINC001250019872 805369399 /nfs/dbraw/zinc/36/93/99/805369399.db2.gz JRAXOMGLLJTYLX-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM [O-]c1cc(F)c(Nc2nccnc2Cl)cc1Cl ZINC001250018602 805369745 /nfs/dbraw/zinc/36/97/45/805369745.db2.gz RYPPTQGLKOEEAB-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM [O-]c1cc(F)c(Nc2cnc(Cl)nc2)cc1Cl ZINC001250020877 805371346 /nfs/dbraw/zinc/37/13/46/805371346.db2.gz USWBNBUCVBCZKB-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM O=C(CCc1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC001250024422 805374958 /nfs/dbraw/zinc/37/49/58/805374958.db2.gz JGWVWXORWXEZMT-UHFFFAOYSA-N -1 1 262.255 3.486 20 0 CGADMM Nc1cc2cn(-c3cc(Cl)c([O-])cc3F)nc2cc1F ZINC001250027416 805377746 /nfs/dbraw/zinc/37/77/46/805377746.db2.gz XYQZZNTUQOFSPS-UHFFFAOYSA-N -1 1 295.676 3.245 20 0 CGADMM Cc1c2cn(-c3ccc(Cl)c([O-])c3)nc2ccc1N ZINC001212591362 815080045 /nfs/dbraw/zinc/08/00/45/815080045.db2.gz IMLFNMMAHVNIMX-UHFFFAOYSA-N -1 1 273.723 3.275 20 0 CGADMM O=C(OCCc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001250214402 805496548 /nfs/dbraw/zinc/49/65/48/805496548.db2.gz VRYRTRUAKVGTSU-UHFFFAOYSA-N -1 1 278.254 3.070 20 0 CGADMM [O-]c1ccc(F)c(Nc2cccc(F)n2)c1Cl ZINC001250228327 805504845 /nfs/dbraw/zinc/50/48/45/805504845.db2.gz WXVCEXMMKGZGBF-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM Nc1ccn(-c2c(F)ccc([O-])c2Cl)c2nccc1-2 ZINC001250227942 805505277 /nfs/dbraw/zinc/50/52/77/805505277.db2.gz CZTUTSRESMIUTM-UHFFFAOYSA-N -1 1 277.686 3.057 20 0 CGADMM Nc1ccc2cn(-c3c(F)ccc([O-])c3Cl)nc2c1 ZINC001250233204 805508244 /nfs/dbraw/zinc/50/82/44/805508244.db2.gz KGMKMYPRUDKYCZ-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM NC(=O)c1ccc(Nc2c(F)ccc([O-])c2Cl)cc1 ZINC001250234279 805509268 /nfs/dbraw/zinc/50/92/68/805509268.db2.gz OIXIXXGOBPWRHX-UHFFFAOYSA-N -1 1 280.686 3.027 20 0 CGADMM O=C(N[C@H]1CCCC12CCCCC2)c1ccc([O-])cn1 ZINC001166617190 807069443 /nfs/dbraw/zinc/06/94/43/807069443.db2.gz KLOGZRIHGGXDME-AWEZNQCLSA-N -1 1 274.364 3.020 20 0 CGADMM [O-]c1cc(F)c(F)c(-c2nnc(C3CCCC3)o2)c1 ZINC001257589076 807201887 /nfs/dbraw/zinc/20/18/87/807201887.db2.gz ZQDTXBJZGIUATE-UHFFFAOYSA-N -1 1 266.247 3.378 20 0 CGADMM [O-]c1cc(O)ccc1-c1nnc(-c2ccc3c(c2)CCC3)o1 ZINC001258175215 807341783 /nfs/dbraw/zinc/34/17/83/807341783.db2.gz OTZXHVMBJKIXNY-UHFFFAOYSA-N -1 1 294.310 3.304 20 0 CGADMM [O-]c1cc(-c2nnc(Cc3cccc(F)c3)o2)ccc1F ZINC001258572039 807493662 /nfs/dbraw/zinc/49/36/62/807493662.db2.gz YQNZNYXSDXANMG-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM CCCCC[C@@H](CCC)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001258665296 807533976 /nfs/dbraw/zinc/53/39/76/807533976.db2.gz XCEBJQKALDHMKY-SNVBAGLBSA-N -1 1 277.372 3.219 20 0 CGADMM Cc1csc([N-]S(=O)(=O)Cc2ccc(C)cc2)c1 ZINC001259259554 807676468 /nfs/dbraw/zinc/67/64/68/807676468.db2.gz SBYOFOGMHWUCNR-UHFFFAOYSA-N -1 1 281.402 3.307 20 0 CGADMM Cc1ccsc1S(=O)(=O)Nc1ccc([S-])cc1 ZINC001260068223 807696489 /nfs/dbraw/zinc/69/64/89/807696489.db2.gz MBJYVWDRENHZBG-UHFFFAOYSA-N -1 1 285.415 3.146 20 0 CGADMM CCC1(C(=O)Nc2ccc(Br)c([O-])c2)CC1 ZINC001261361049 807738639 /nfs/dbraw/zinc/73/86/39/807738639.db2.gz GHYVMJHNQHBNJI-UHFFFAOYSA-N -1 1 284.153 3.283 20 0 CGADMM C[C@]1(CNC(=O)c2ccc(Cl)cc2[O-])C[C@H]2C[C@H]2C1 ZINC001170357166 807828837 /nfs/dbraw/zinc/82/88/37/807828837.db2.gz LPONEQBSYIQFGN-RTUWITSCSA-N -1 1 279.767 3.212 20 0 CGADMM CCCCCC[C@@H](CC)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170587733 807860580 /nfs/dbraw/zinc/86/05/80/807860580.db2.gz RCRZSGSBYBQBGM-SNVBAGLBSA-N -1 1 277.372 3.219 20 0 CGADMM Cc1cc(C)cc(Nc2cc(S(C)(=O)=O)ccc2[O-])c1 ZINC001173829408 808695081 /nfs/dbraw/zinc/69/50/81/808695081.db2.gz QZBCCTXCDXHXCO-UHFFFAOYSA-N -1 1 291.372 3.156 20 0 CGADMM CC(C)Oc1cccc(-n2[n-]c(=O)c3ccc(N)cc32)c1 ZINC001174113385 808872643 /nfs/dbraw/zinc/87/26/43/808872643.db2.gz DSQQHQJOARICNY-UHFFFAOYSA-N -1 1 283.331 3.101 20 0 CGADMM COc1ccc([N-]c2nnc(C(C)(C)C)o2)c(F)c1 ZINC001174142615 808887544 /nfs/dbraw/zinc/88/75/44/808887544.db2.gz HLFGSPQZPXIGOW-UHFFFAOYSA-N -1 1 265.288 3.258 20 0 CGADMM Cc1cccc2ncc(Nc3cccc(/C=C/C(=O)[O-])c3)n21 ZINC001174495604 809043472 /nfs/dbraw/zinc/04/34/72/809043472.db2.gz QTZYAQRAOKQXCN-CMDGGOBGSA-N -1 1 293.326 3.484 20 0 CGADMM CC(C)(O)c1cncc(Nc2c([O-])cc(F)cc2F)c1 ZINC001174592929 809095651 /nfs/dbraw/zinc/09/56/51/809095651.db2.gz XQICWXVMLJFPTA-UHFFFAOYSA-N -1 1 280.274 3.036 20 0 CGADMM COc1cc(Nc2cc([O-])c(F)c(F)c2)cc(OC)c1 ZINC001175110634 809276026 /nfs/dbraw/zinc/27/60/26/809276026.db2.gz KVZRIOQBZZGQTI-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM CCOc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1C ZINC001175171264 809296336 /nfs/dbraw/zinc/29/63/36/809296336.db2.gz NRDKBCMAOBPMHP-UHFFFAOYSA-N -1 1 283.331 3.020 20 0 CGADMM Cc1cc(-n2[n-]c(=O)c3cc(N)ccc32)ccc1OC(C)C ZINC001175192885 809303233 /nfs/dbraw/zinc/30/32/33/809303233.db2.gz WHZIIGMMIZEIGH-UHFFFAOYSA-N -1 1 297.358 3.409 20 0 CGADMM Cc1cccc2ncc(Nc3ccc(F)c(C(=O)[O-])c3)n21 ZINC001175221323 809313460 /nfs/dbraw/zinc/31/34/60/809313460.db2.gz YVLZZEGHINSUJO-UHFFFAOYSA-N -1 1 285.278 3.224 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](C)c2ccccc2)c1 ZINC001290115403 809402274 /nfs/dbraw/zinc/40/22/74/809402274.db2.gz PWMMSGOLYBKFHO-GFCCVEGCSA-N -1 1 283.327 3.004 20 0 CGADMM Cc1c2c[nH]nc2ccc1[N-]c1nnc(C(C)C)o1 ZINC001175466855 809416997 /nfs/dbraw/zinc/41/69/97/809416997.db2.gz XMHIBMBQACUNRV-UHFFFAOYSA-N -1 1 257.297 3.121 20 0 CGADMM C[S@@](=O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001175478876 809422501 /nfs/dbraw/zinc/42/25/01/809422501.db2.gz KVQFTYHYPQSZBE-LJQANCHMSA-N -1 1 283.299 3.151 20 0 CGADMM CCS[C@@H]1CCCCN(C(=O)c2cccc([O-])c2F)C1 ZINC001293247311 809445270 /nfs/dbraw/zinc/44/52/70/809445270.db2.gz VNAOHRDUMZBOBO-LLVKDONJSA-N -1 1 297.395 3.279 20 0 CGADMM CC(C)[C@@H]1CCCCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC001295677898 809491406 /nfs/dbraw/zinc/49/14/06/809491406.db2.gz YJKVPZQNDMMIRL-HNNXBMFYSA-N -1 1 289.375 3.002 20 0 CGADMM C[C@@H](CC(=O)Nc1ccc([O-])c(F)c1F)n1cccc1 ZINC001297821600 809523992 /nfs/dbraw/zinc/52/39/92/809523992.db2.gz WROUKOSCXKUAMY-VIFPVBQESA-N -1 1 280.274 3.062 20 0 CGADMM O=C(Cc1c(F)cccc1F)Nc1ccc([O-])c(F)c1F ZINC001297819693 809524181 /nfs/dbraw/zinc/52/41/81/809524181.db2.gz BLMPGOSODNFOMI-UHFFFAOYSA-N -1 1 299.223 3.130 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc2cccc(C)c2s1 ZINC001298673475 809536671 /nfs/dbraw/zinc/53/66/71/809536671.db2.gz JNMOHBUYPCZEQY-UHFFFAOYSA-N -1 1 287.344 3.199 20 0 CGADMM CCCn1nc(C)cc1Nc1ccnc(Cl)c1[O-] ZINC001175801012 809547425 /nfs/dbraw/zinc/54/74/25/809547425.db2.gz GEALTJLVAKGIOS-UHFFFAOYSA-N -1 1 266.732 3.099 20 0 CGADMM Cc1ccc(C(=O)Nc2cccc(F)c2[O-])c(N)c1Cl ZINC001302486986 809595672 /nfs/dbraw/zinc/59/56/72/809595672.db2.gz TUAYDRKLMFQUMP-UHFFFAOYSA-N -1 1 294.713 3.328 20 0 CGADMM COc1ccc(O)cc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001176581270 809723105 /nfs/dbraw/zinc/72/31/05/809723105.db2.gz DXNSGUCCGWXCLH-UHFFFAOYSA-N -1 1 297.314 3.036 20 0 CGADMM CCOc1cc(Nc2c([O-])cc(F)cc2F)c(F)cn1 ZINC001176603230 809728720 /nfs/dbraw/zinc/72/87/20/809728720.db2.gz PGAXQYUNKABIHU-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2noc3cccnc32)c1F ZINC001176662349 809737279 /nfs/dbraw/zinc/73/72/79/809737279.db2.gz LUORTKNAZQNTFB-UHFFFAOYSA-N -1 1 281.193 3.089 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cnn(C(F)F)c2)c1F ZINC001176669778 809738764 /nfs/dbraw/zinc/73/87/64/809738764.db2.gz KDGWRYCDRDBWSE-UHFFFAOYSA-N -1 1 279.168 3.145 20 0 CGADMM COc1nccc(Nc2c(F)cc(F)c([O-])c2F)c1F ZINC001176669239 809738853 /nfs/dbraw/zinc/73/88/53/809738853.db2.gz FPQUDFGBVVZKPW-UHFFFAOYSA-N -1 1 288.200 3.096 20 0 CGADMM C[C@H](O)c1ccnc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176669974 809739921 /nfs/dbraw/zinc/73/99/21/809739921.db2.gz PWZLRCNZLGIMNG-LURJTMIESA-N -1 1 284.237 3.001 20 0 CGADMM O=C(CCc1cccs1)NCc1ccc([O-])c(Cl)c1 ZINC001176988576 809773433 /nfs/dbraw/zinc/77/34/33/809773433.db2.gz PAJQAHUVFHQCNI-UHFFFAOYSA-N -1 1 295.791 3.356 20 0 CGADMM [O-]c1cnc(Cl)c(-c2nc(-c3cccc(F)c3)no2)c1 ZINC001213696329 815323174 /nfs/dbraw/zinc/32/31/74/815323174.db2.gz RHAMMTDNUQHCGQ-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM C[C@H]1CC=C(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC001178785542 809887859 /nfs/dbraw/zinc/88/78/59/809887859.db2.gz WMFDFPLGTSDIIA-JTQLQIEISA-N -1 1 295.329 3.076 20 0 CGADMM C[C@H]1CCC[C@@H](C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001178784961 809888226 /nfs/dbraw/zinc/88/82/26/809888226.db2.gz MBIMBABCADJLCA-WDEREUQCSA-N -1 1 297.345 3.155 20 0 CGADMM O=c1ccn(-c2ccc(NCc3cccn3C3CC3)cc2)[n-]1 ZINC001179307919 809914699 /nfs/dbraw/zinc/91/46/99/809914699.db2.gz HJGOOWJXTKSKCS-UHFFFAOYSA-N -1 1 294.358 3.326 20 0 CGADMM CC1(C)CN(Cc2ccc([O-])c(F)c2F)C1(C)C ZINC001180202900 809983565 /nfs/dbraw/zinc/98/35/65/809983565.db2.gz DVPIGGLDOFBJPZ-UHFFFAOYSA-N -1 1 255.308 3.291 20 0 CGADMM Cc1ccc(CCCNC(=O)c2ccc([O-])c(F)c2)s1 ZINC001186237761 810322902 /nfs/dbraw/zinc/32/29/02/810322902.db2.gz ZGIIVEWARFFWNH-UHFFFAOYSA-N -1 1 293.363 3.264 20 0 CGADMM Cc1ccc(CCCNC(=O)c2ccc([O-])cc2F)s1 ZINC001186337685 810329874 /nfs/dbraw/zinc/32/98/74/810329874.db2.gz QAQWTCZWNHRKNO-UHFFFAOYSA-N -1 1 293.363 3.264 20 0 CGADMM O=S(=O)([N-]c1cc(Cl)c(F)cc1F)c1ccoc1 ZINC001188610152 810493297 /nfs/dbraw/zinc/49/32/97/810493297.db2.gz HPBDONLRDHCQKT-UHFFFAOYSA-N -1 1 293.678 3.012 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)Nc2cc(F)c([O-])cc2F)CC1 ZINC001191824604 810747693 /nfs/dbraw/zinc/74/76/93/810747693.db2.gz QBRYMSCKHICZLI-KYZUINATSA-N -1 1 284.306 3.371 20 0 CGADMM C[C@]1(F)CCCCN(C(=O)c2cc([O-])cc(F)c2F)C1 ZINC001192661204 810814732 /nfs/dbraw/zinc/81/47/32/810814732.db2.gz NBKSIWYJBCIART-AWEZNQCLSA-N -1 1 287.281 3.025 20 0 CGADMM Cc1cccc(C)c1CNC(=O)c1cc([O-])cc(F)c1F ZINC001192678495 810815236 /nfs/dbraw/zinc/81/52/36/810815236.db2.gz DISLDDVFBYYFDX-UHFFFAOYSA-N -1 1 291.297 3.217 20 0 CGADMM CCCCCOC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001193769381 810950434 /nfs/dbraw/zinc/95/04/34/810950434.db2.gz HJVQUXLQRHDJFZ-UHFFFAOYSA-N -1 1 259.252 3.409 20 0 CGADMM Cc1cnc(Nc2cc(F)c([O-])c(Cl)c2)c(C)n1 ZINC001214482647 815416312 /nfs/dbraw/zinc/41/63/12/815416312.db2.gz GTONXPWTLGSPDL-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM NC(=O)Nc1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214491565 815417375 /nfs/dbraw/zinc/41/73/75/815417375.db2.gz CDOGLYFTSJVSNF-UHFFFAOYSA-N -1 1 295.701 3.419 20 0 CGADMM CC(C)CCOC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001194881712 811161436 /nfs/dbraw/zinc/16/14/36/811161436.db2.gz CXOKJJXJLVDXCD-UHFFFAOYSA-N -1 1 289.335 3.173 20 0 CGADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1ncccc1C1CC1 ZINC001195048222 811190322 /nfs/dbraw/zinc/19/03/22/811190322.db2.gz LHKBYOBMDAIUMS-UHFFFAOYSA-N -1 1 298.484 3.039 20 0 CGADMM COc1ccccc1OC(=O)Nc1cc([O-])c(F)cc1F ZINC001195261451 811234514 /nfs/dbraw/zinc/23/45/14/811234514.db2.gz HXFKEWMJOFHFGZ-UHFFFAOYSA-N -1 1 295.241 3.290 20 0 CGADMM [O-]c1cccnc1N=C1CCC(C(F)(F)F)CC1 ZINC001195836196 811296267 /nfs/dbraw/zinc/29/62/67/811296267.db2.gz XIRRFXJGKPHGAZ-MRVPVSSYSA-N -1 1 258.243 3.445 20 0 CGADMM C=CS(=O)(=O)[N-]c1cccc(F)c1OC1CCCC1 ZINC001198621102 811526110 /nfs/dbraw/zinc/52/61/10/811526110.db2.gz RMOCDVUZFNQEAH-UHFFFAOYSA-N -1 1 285.340 3.032 20 0 CGADMM Cc1cccc(S(=O)(=O)Nc2ccc([S-])cc2)c1F ZINC001200797996 811747692 /nfs/dbraw/zinc/74/76/92/811747692.db2.gz FLTUZNSLYMPXSW-UHFFFAOYSA-N -1 1 297.376 3.224 20 0 CGADMM COc1nc(C(C)C)ccc1[N-]c1nonc1C1CC1 ZINC001201436857 811846554 /nfs/dbraw/zinc/84/65/54/811846554.db2.gz JALXJOLMTMUSSR-UHFFFAOYSA-N -1 1 274.324 3.218 20 0 CGADMM CC(C)(C)c1nnc([N-]c2ccc(C3CC3)nc2)o1 ZINC001201698959 811939085 /nfs/dbraw/zinc/93/90/85/811939085.db2.gz FXFVIKCSAAPNCM-UHFFFAOYSA-N -1 1 258.325 3.383 20 0 CGADMM CC(=O)c1cc(Nc2cc(F)c([O-])cc2F)ccc1O ZINC001215573320 815538329 /nfs/dbraw/zinc/53/83/29/815538329.db2.gz DYOFRDYTYPYPFA-UHFFFAOYSA-N -1 1 279.242 3.322 20 0 CGADMM COc1cccc(O)c1Nc1cc(F)c([O-])cc1F ZINC001215574294 815538939 /nfs/dbraw/zinc/53/89/39/815538939.db2.gz PFMPZJRMJNXXAH-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM CC(=O)Nc1ccc(O)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001215576899 815539642 /nfs/dbraw/zinc/53/96/42/815539642.db2.gz MUAALXQSFYOJPZ-UHFFFAOYSA-N -1 1 294.257 3.078 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc(F)c(CO)c1F ZINC001215651950 815553181 /nfs/dbraw/zinc/55/31/81/815553181.db2.gz QJUYXCWXJNSGPG-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc4scnc4c3)no2)nn1 ZINC001205299167 812939730 /nfs/dbraw/zinc/93/97/30/812939730.db2.gz MWMXXEORZWBNGF-UHFFFAOYSA-N -1 1 297.299 3.070 20 0 CGADMM c1nn2cccnc2c1[N-]c1cc(Cc2ccccc2)no1 ZINC001205945833 813142907 /nfs/dbraw/zinc/14/29/07/813142907.db2.gz LBZVUXYROAUBBP-UHFFFAOYSA-N -1 1 291.314 3.052 20 0 CGADMM COc1cc(C)c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cn1 ZINC001209873439 814181643 /nfs/dbraw/zinc/18/16/43/814181643.db2.gz UUAWIKHCYHRHOZ-UHFFFAOYSA-N -1 1 296.330 3.034 20 0 CGADMM O=C1Cc2cc(-c3cc4cc(F)ccc4o3)ccc2C(=O)[N-]1 ZINC001242708678 823107142 /nfs/dbraw/zinc/10/71/42/823107142.db2.gz MQBANTKLCNTILQ-UHFFFAOYSA-N -1 1 295.269 3.051 20 0 CGADMM Nc1cncc(Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC001210439451 814456446 /nfs/dbraw/zinc/45/64/46/814456446.db2.gz CTNKZYNPSAEVPJ-UHFFFAOYSA-N -1 1 270.119 3.420 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cncc(N2CCCC2)c1 ZINC001210608323 814552915 /nfs/dbraw/zinc/55/29/15/814552915.db2.gz JVGVJBRBLNIFRF-UHFFFAOYSA-N -1 1 290.754 3.179 20 0 CGADMM COc1ncc(Nc2ccnc(Cl)c2[O-])cc1Cl ZINC001211047432 814721067 /nfs/dbraw/zinc/72/10/67/814721067.db2.gz PAIVLEPZENNKJJ-UHFFFAOYSA-N -1 1 286.118 3.241 20 0 CGADMM CCCOc1ccnc(-c2cccc([O-])c2Cl)n1 ZINC001242799904 823136799 /nfs/dbraw/zinc/13/67/99/823136799.db2.gz ACHOIJLJXKBLGR-UHFFFAOYSA-N -1 1 264.712 3.291 20 0 CGADMM O=C1COc2ccc(-c3cccc([O-])c3Cl)cc2N1 ZINC001242799619 823136844 /nfs/dbraw/zinc/13/68/44/823136844.db2.gz VACXJSVSVWNFST-UHFFFAOYSA-N -1 1 275.691 3.044 20 0 CGADMM CSc1cnc(-c2cccc([O-])c2Cl)nc1 ZINC001242800548 823136505 /nfs/dbraw/zinc/13/65/05/823136505.db2.gz ISMHISNBTPGKAD-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM CCOC(=O)c1ccc(-c2cccc([O-])c2Cl)cn1 ZINC001242800779 823137163 /nfs/dbraw/zinc/13/71/63/823137163.db2.gz TVPQUVDSRWHVOO-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM COC(=O)c1ncc(F)cc1-c1cccc([O-])c1Cl ZINC001242802000 823137919 /nfs/dbraw/zinc/13/79/19/823137919.db2.gz LOZUFJZBLAQFLG-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3c2COCC3)cc1F ZINC001211339035 814882368 /nfs/dbraw/zinc/88/23/68/814882368.db2.gz KJTYPHKGNCFWNK-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM Cn1cc(-c2cc(F)c([O-])cc2F)c2ccccc2c1=O ZINC001211350156 814883791 /nfs/dbraw/zinc/88/37/91/814883791.db2.gz NNHWPAZUSHENQZ-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM O=C1OCc2ccc(-c3cc(F)c([O-])cc3F)cc21 ZINC001211350929 814884731 /nfs/dbraw/zinc/88/47/31/814884731.db2.gz YZMXYSYSHYGLKF-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM O=C1Nc2c(cccc2-c2cc(F)c([O-])cc2F)C12CC2 ZINC001211352680 814884959 /nfs/dbraw/zinc/88/49/59/814884959.db2.gz NSFXKMIWSGEWMK-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM COC(=O)c1ccc(F)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001211359743 814886201 /nfs/dbraw/zinc/88/62/01/814886201.db2.gz ZWVFAJJJIGGPLJ-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM COC(=N)c1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211359787 814886731 /nfs/dbraw/zinc/88/67/31/814886731.db2.gz MARYSJCHMJUFFJ-UHFFFAOYSA-N -1 1 263.243 3.309 20 0 CGADMM Cc1cc(C)c(N)c(Nc2ccnc(Cl)c2[O-])c1 ZINC001216098475 815692894 /nfs/dbraw/zinc/69/28/94/815692894.db2.gz PDHWVUJEZMOQBW-UHFFFAOYSA-N -1 1 263.728 3.383 20 0 CGADMM Cc1c(O)cccc1Nc1ccnc(Cl)c1[O-] ZINC001216320909 815781519 /nfs/dbraw/zinc/78/15/19/815781519.db2.gz ZQGGPGBCXSFWSR-UHFFFAOYSA-N -1 1 250.685 3.198 20 0 CGADMM CCOc1cc(C)c(C)cc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001216378066 815804461 /nfs/dbraw/zinc/80/44/61/815804461.db2.gz HZRPOPYFNKAZKA-UHFFFAOYSA-N -1 1 297.358 3.329 20 0 CGADMM COc1cc(Nc2cc([O-])c(F)c(F)c2)c(Cl)cn1 ZINC001216386728 815808468 /nfs/dbraw/zinc/80/84/68/815808468.db2.gz RCJGUTXQWNCRNH-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM Cc1cc(C)c(-c2noc(-c3c(C)cc(O)cc3[O-])n2)cn1 ZINC001216987192 815904869 /nfs/dbraw/zinc/90/48/69/815904869.db2.gz UMGAYCPCMGNLGD-UHFFFAOYSA-N -1 1 297.314 3.135 20 0 CGADMM Cc1cnc2[nH]ccc2c1-c1cc(F)c([O-])cc1F ZINC001222085722 816344954 /nfs/dbraw/zinc/34/49/54/816344954.db2.gz AUUGPKQYAAAIJV-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM O=[P@]([O-])(O)CCO[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC001224602179 816830714 /nfs/dbraw/zinc/83/07/14/816830714.db2.gz OUXHMVLJTABFQA-KGLIPLIRSA-N -1 1 290.340 3.320 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCCC(=O)C1(C)C ZINC001225618128 817113557 /nfs/dbraw/zinc/11/35/57/817113557.db2.gz CIBADXUEEFINNG-HNNXBMFYSA-N -1 1 276.332 3.121 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H](C)c1cnc2ccccn21 ZINC001225617266 817113783 /nfs/dbraw/zinc/11/37/83/817113783.db2.gz XDQBARBMUMIDRP-GFCCVEGCSA-N -1 1 296.326 3.383 20 0 CGADMM COc1ccc([C@H](C)Oc2cc([O-])ccc2C(C)=O)cn1 ZINC001225616133 817114150 /nfs/dbraw/zinc/11/41/50/817114150.db2.gz GUYAWONKELHQKT-NSHDSACASA-N -1 1 287.315 3.138 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CCc2ccccc2C1 ZINC001225680011 817139656 /nfs/dbraw/zinc/13/96/56/817139656.db2.gz URIKOEZKJJSPOT-HNNXBMFYSA-N -1 1 298.338 3.237 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CCCC[C@H]1C ZINC001227168780 817578866 /nfs/dbraw/zinc/57/88/66/817578866.db2.gz NPSYNCIFHRILIV-IAQYHMDHSA-N -1 1 278.348 3.179 20 0 CGADMM S=c1nc2cnccc2c(O[C@@H]2C[C@@H]3CC[C@H]2C3)[n-]1 ZINC001227883877 817743807 /nfs/dbraw/zinc/74/38/07/817743807.db2.gz DKMRDACHARPJRA-VDDIYKPWSA-N -1 1 273.361 3.255 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)c1ccccn1 ZINC001228553313 817936604 /nfs/dbraw/zinc/93/66/04/817936604.db2.gz AOEXMDUNTFXYNB-JTQLQIEISA-N -1 1 287.315 3.226 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)CC(C)(C)OC ZINC001228554343 817937118 /nfs/dbraw/zinc/93/71/18/817937118.db2.gz HSYRSVROEWRACP-JTQLQIEISA-N -1 1 296.363 3.273 20 0 CGADMM CCCC[C@@H](Oc1cnnc(=S)[n-]1)c1ccccc1 ZINC001228642741 817961337 /nfs/dbraw/zinc/96/13/37/817961337.db2.gz UMMLOYKXQUTAKO-GFCCVEGCSA-N -1 1 275.377 3.471 20 0 CGADMM C[C@H](Oc1[n-]c(=S)nc2ccccc21)c1ccccn1 ZINC001228763600 818002007 /nfs/dbraw/zinc/00/20/07/818002007.db2.gz CGKVQRRTJJXZJU-JTQLQIEISA-N -1 1 283.356 3.454 20 0 CGADMM CCCOC[C@H](C)Oc1cccnc1-c1ncccc1[O-] ZINC001231200517 818055495 /nfs/dbraw/zinc/05/54/95/818055495.db2.gz PKDWCQBJWGNMKB-LBPRGKRZSA-N -1 1 288.347 3.043 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccccc1OC[C@@H]1CCCO1 ZINC001231231291 818062054 /nfs/dbraw/zinc/06/20/54/818062054.db2.gz UPNCMCFYUHEHKX-HNNXBMFYSA-N -1 1 298.338 3.181 20 0 CGADMM [O-]c1cc(CN2CCc3ncsc3C2)ccc1Cl ZINC001231736287 818164474 /nfs/dbraw/zinc/16/44/74/818164474.db2.gz HCPGRNIORDOXPX-UHFFFAOYSA-N -1 1 280.780 3.060 20 0 CGADMM COc1ccc(CN2CC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001231753874 818166350 /nfs/dbraw/zinc/16/63/50/818166350.db2.gz MPQRKZKQWSUPOF-MRXNPFEDSA-N -1 1 297.354 3.340 20 0 CGADMM C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)c([O-])c1F ZINC001232935835 818476633 /nfs/dbraw/zinc/47/66/33/818476633.db2.gz NKRQEBGKMBHNBN-SNVBAGLBSA-N -1 1 255.308 3.435 20 0 CGADMM [O-]c1c(F)ccc(CN2CC(c3ccccc3)C2)c1F ZINC001232937236 818476936 /nfs/dbraw/zinc/47/69/36/818476936.db2.gz LISGMBXLFOBSEV-UHFFFAOYSA-N -1 1 275.298 3.270 20 0 CGADMM [O-]c1cc(CN2CCC[C@@H](C(F)(F)F)C2)cc(F)c1F ZINC001232970258 818486869 /nfs/dbraw/zinc/48/68/69/818486869.db2.gz DGMPLLVYOKQBLQ-SECBINFHSA-N -1 1 295.251 3.445 20 0 CGADMM COc1ccccc1CN(C)Cc1cc([O-])c(F)c(F)c1 ZINC001232971442 818487029 /nfs/dbraw/zinc/48/70/29/818487029.db2.gz KVKRUBIIJOLDEC-UHFFFAOYSA-N -1 1 293.313 3.311 20 0 CGADMM [O-]c1cc(CN2CCC[C@H](F)C(F)(F)C2)cc(F)c1F ZINC001232969991 818487328 /nfs/dbraw/zinc/48/73/28/818487328.db2.gz FKUOEHPNQGCMGC-NSHDSACASA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1ccc(-c2ccc3ncc(F)cc3n2)c(F)c1F ZINC001243339544 823352007 /nfs/dbraw/zinc/35/20/07/823352007.db2.gz KUKOTPNVHXZZMW-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM COC(=O)c1c(C)cccc1-c1ccc([O-])c(F)c1F ZINC001243338216 823353197 /nfs/dbraw/zinc/35/31/97/823353197.db2.gz CDLWZPIVDZKPSR-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1CCOC[C@@H]1C ZINC001233653351 818671593 /nfs/dbraw/zinc/67/15/93/818671593.db2.gz KEQBQOMQNOGRID-NHYWBVRUSA-N -1 1 278.348 3.179 20 0 CGADMM C[C@@H]1Oc2ccc(-c3ccc([O-])c(F)c3F)cc2NC1=O ZINC001243342031 823355513 /nfs/dbraw/zinc/35/55/13/823355513.db2.gz HMOJGHHCLRPBFE-ZETCQYMHSA-N -1 1 291.253 3.057 20 0 CGADMM CCCCCC[C@H](CC)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233758496 818699690 /nfs/dbraw/zinc/69/96/90/818699690.db2.gz KMSQJDIAAGEXGZ-NSHDSACASA-N -1 1 296.367 3.097 20 0 CGADMM [O-]c1ccc(-c2ccccc2C2OCCO2)c(F)c1F ZINC001243342341 823357584 /nfs/dbraw/zinc/35/75/84/823357584.db2.gz HLSOHKKRKQXWGQ-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM CCOc1cc(-c2ccc([O-])c(F)c2F)cnc1F ZINC001243344160 823359107 /nfs/dbraw/zinc/35/91/07/823359107.db2.gz YUHYZUSNRYJBPL-UHFFFAOYSA-N -1 1 269.222 3.270 20 0 CGADMM CC(=O)Nc1ccc(-c2ccc([O-])c(F)c2F)c(F)c1 ZINC001243343187 823359481 /nfs/dbraw/zinc/35/94/81/823359481.db2.gz RXTUXPUUSUWNBV-UHFFFAOYSA-N -1 1 281.233 3.435 20 0 CGADMM CCc1c(F)cncc1-c1ccc([O-])c(F)c1F ZINC001243343244 823359758 /nfs/dbraw/zinc/35/97/58/823359758.db2.gz YYLRIKABPOYGMZ-UHFFFAOYSA-N -1 1 253.223 3.434 20 0 CGADMM CN(C)Cc1cccc(-c2ccc(C(=O)[O-])cc2)c1F ZINC001236063759 819296298 /nfs/dbraw/zinc/29/62/98/819296298.db2.gz HMGUBSAZHIYSDB-UHFFFAOYSA-N -1 1 273.307 3.253 20 0 CGADMM COC(=O)Cc1ccccc1-c1cc(F)cc(F)c1[O-] ZINC001243503679 823422269 /nfs/dbraw/zinc/42/22/69/823422269.db2.gz JYQWGBYSQSFJEO-UHFFFAOYSA-N -1 1 278.254 3.053 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243503910 823422683 /nfs/dbraw/zinc/42/26/83/823422683.db2.gz WCCPILKRTBEBAP-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cnc(N2CCCCC2)nc1 ZINC001243503269 823422708 /nfs/dbraw/zinc/42/27/08/823422708.db2.gz UEQKSBQJABCJGG-UHFFFAOYSA-N -1 1 291.301 3.118 20 0 CGADMM CN(C)C(=O)c1ccc(F)c(-c2cc(F)cc(F)c2[O-])c1 ZINC001243505075 823423354 /nfs/dbraw/zinc/42/33/54/823423354.db2.gz BCISLUYLJKYWDN-UHFFFAOYSA-N -1 1 295.260 3.178 20 0 CGADMM COCC1CCN(Cc2cc(F)c([O-])c(Cl)c2)CC1 ZINC001237990509 819905451 /nfs/dbraw/zinc/90/54/51/819905451.db2.gz PBXFUXKMUOKRAE-UHFFFAOYSA-N -1 1 287.762 3.043 20 0 CGADMM O=C([O-])c1cc(F)ccc1CN1CC[C@@H]1c1ccccc1 ZINC001238239822 819966156 /nfs/dbraw/zinc/96/61/56/819966156.db2.gz ZSVIYLQEHGTEED-MRXNPFEDSA-N -1 1 285.318 3.471 20 0 CGADMM C[C@@H]1CN(Cc2ccc(F)cc2C(=O)[O-])CCC1(F)F ZINC001238233861 819966907 /nfs/dbraw/zinc/96/69/07/819966907.db2.gz QXHJCNGRFPGOAO-SECBINFHSA-N -1 1 287.281 3.001 20 0 CGADMM [O-]c1cc(-c2ncnc3c2ncn3C2CC2)ccc1Cl ZINC001243579733 823453013 /nfs/dbraw/zinc/45/30/13/823453013.db2.gz YLSHLCUMQJBCMW-UHFFFAOYSA-N -1 1 286.722 3.187 20 0 CGADMM O=c1cc(-c2ccc(Cl)c([O-])c2)ccn1CC1CC1 ZINC001243582344 823454425 /nfs/dbraw/zinc/45/44/25/823454425.db2.gz PNXZWPCBMJYIMX-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1cnc2cc[nH]c2n1 ZINC001243605803 823464490 /nfs/dbraw/zinc/46/44/90/823464490.db2.gz YXGVRWUYPDKZOV-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM CC(C)c1ccccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001239867675 820671950 /nfs/dbraw/zinc/67/19/50/820671950.db2.gz SCJWMSSGMDJYID-UHFFFAOYSA-N -1 1 279.339 3.290 20 0 CGADMM Cc1nc2c[nH]cc(-c3cccc(C=CC(=O)[O-])c3)c-2n1 ZINC001240551534 821137813 /nfs/dbraw/zinc/13/78/13/821137813.db2.gz VNOZFIMZVFTCED-AATRIKPKSA-N -1 1 279.299 3.031 20 0 CGADMM Cc1nc2c(cncc2-c2cccc(C=CC(=O)[O-])c2)[nH]1 ZINC001240551534 821137816 /nfs/dbraw/zinc/13/78/16/821137816.db2.gz VNOZFIMZVFTCED-AATRIKPKSA-N -1 1 279.299 3.031 20 0 CGADMM CCOC(=O)c1ccnc(-c2cc(F)ccc2[O-])c1C ZINC001240693970 821249825 /nfs/dbraw/zinc/24/98/25/821249825.db2.gz KSMQLWLPOSZQSX-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM CC(C)(C)NC(=O)c1cccnc1-c1ccc([O-])c(F)c1 ZINC001240781614 821321075 /nfs/dbraw/zinc/32/10/75/821321075.db2.gz BVYOHIFPZPLXMH-UHFFFAOYSA-N -1 1 288.322 3.122 20 0 CGADMM Cc1nc2ccccc2nc1-c1ccc([O-])c(F)c1 ZINC001240783473 821322642 /nfs/dbraw/zinc/32/26/42/821322642.db2.gz SEGKGNXJXQSYQZ-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM [O-]c1ccc(-c2ccc(-c3ccco3)nn2)cc1F ZINC001240786231 821326234 /nfs/dbraw/zinc/32/62/34/821326234.db2.gz QOUSNOUBCARBAT-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM Cc1cc2[nH]cnc2cc1-c1ccc(C(=O)[O-])s1 ZINC001240846560 821366261 /nfs/dbraw/zinc/36/62/61/821366261.db2.gz JBNQPVNMHPJGTE-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM COC(=O)c1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241119388 821574330 /nfs/dbraw/zinc/57/43/30/821574330.db2.gz LHKOOWJPYDBHNX-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(-c3ccncc3)nn2)c(F)c1 ZINC001241120265 821575592 /nfs/dbraw/zinc/57/55/92/821575592.db2.gz XPWQVXQNEKEWLM-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)cc1C ZINC001241120258 821575940 /nfs/dbraw/zinc/57/59/40/821575940.db2.gz XKSJRWXQBUWDKR-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM CC(C)Cn1cccc(-c2c(F)cc([O-])cc2F)c1=O ZINC001241121431 821576934 /nfs/dbraw/zinc/57/69/34/821576934.db2.gz JWGKPHBVFMMBCQ-UHFFFAOYSA-N -1 1 279.286 3.155 20 0 CGADMM Nc1ccc2cccc(-c3c(F)cc([O-])cc3F)c2n1 ZINC001241122165 821578854 /nfs/dbraw/zinc/57/88/54/821578854.db2.gz VIZNKBYFNMUZSE-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM COC(=O)c1cc(C)ccc1-c1c(F)cc([O-])cc1F ZINC001241122586 821579104 /nfs/dbraw/zinc/57/91/04/821579104.db2.gz GTPGLUAWQPINBP-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM [O-]c1cc(F)c(-c2cccc(-c3nc[nH]n3)c2)c(F)c1 ZINC001241123232 821579481 /nfs/dbraw/zinc/57/94/81/821579481.db2.gz WRJTXTDGSWOUIJ-UHFFFAOYSA-N -1 1 273.242 3.123 20 0 CGADMM COC(=O)c1ccc(F)cc1-c1c(F)cc([O-])cc1F ZINC001241122723 821579903 /nfs/dbraw/zinc/57/99/03/821579903.db2.gz WXEZNSBPVDMPDO-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM C=CC(=O)Oc1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241124486 821581542 /nfs/dbraw/zinc/58/15/42/821581542.db2.gz GTDVSNFBFZWFFN-UHFFFAOYSA-N -1 1 276.238 3.429 20 0 CGADMM COc1ccc2nc(-c3cc([O-])cc(F)c3)nc(C)c2c1 ZINC001241255793 821675892 /nfs/dbraw/zinc/67/58/92/821675892.db2.gz DLNPCHJBEHNQAO-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM [O-]c1cc(F)cc(-c2ncc3cc(F)ccc3n2)c1 ZINC001241263079 821682767 /nfs/dbraw/zinc/68/27/67/821682767.db2.gz XPTJOXAENRMPTF-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(C3CCC3)nn2)c1F ZINC001241288926 821704955 /nfs/dbraw/zinc/70/49/55/821704955.db2.gz BPDTWZGSLOXREA-UHFFFAOYSA-N -1 1 262.259 3.395 20 0 CGADMM CC(C)c1ccnc(-c2c(F)ccc([O-])c2F)n1 ZINC001241289498 821706922 /nfs/dbraw/zinc/70/69/22/821706922.db2.gz UJDWQNRAGOPPJH-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM CCOc1cccc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291739 821709787 /nfs/dbraw/zinc/70/97/87/821709787.db2.gz UEWOMEYRXZGESU-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM CCOc1cncc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242126507 822887131 /nfs/dbraw/zinc/88/71/31/822887131.db2.gz MTODBMGYBSAFRP-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1cc2nccc-2[n-][nH+]1 ZINC001242134314 822889412 /nfs/dbraw/zinc/88/94/12/822889412.db2.gz YSWBNJFSSAITAL-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM [O-]c1cc(F)ccc1-c1cccnc1OC(F)F ZINC001242219960 822916318 /nfs/dbraw/zinc/91/63/18/822916318.db2.gz XZOONMMFVVUQFR-UHFFFAOYSA-N -1 1 255.195 3.195 20 0 CGADMM CC(C)Cn1cccc(-c2cccc(F)c2[O-])c1=O ZINC001242352480 822962572 /nfs/dbraw/zinc/96/25/72/822962572.db2.gz KBYHFAQKSAUONB-UHFFFAOYSA-N -1 1 261.296 3.016 20 0 CGADMM COc1cc(-c2cccc(Cl)c2[O-])cnc1OC ZINC001242364486 822968240 /nfs/dbraw/zinc/96/82/40/822968240.db2.gz KLRKJQRQUXGMQO-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM Cc1ccc(-c2cccc(Cl)c2[O-])cc1-c1nn[nH]n1 ZINC001242367385 822969556 /nfs/dbraw/zinc/96/95/56/822969556.db2.gz JXMMARRXVSSNOC-UHFFFAOYSA-N -1 1 286.722 3.201 20 0 CGADMM O=C(NC[C@H]1C[C@@H]1C1CCCC1)c1c(F)ccc([O-])c1F ZINC001348705702 936930920 /nfs/dbraw/zinc/93/09/20/936930920.db2.gz NUZFGPIMQZJVRN-GHMZBOCLSA-N -1 1 295.329 3.227 20 0 CGADMM [O-]c1c(F)cc(NC(=S)Nc2ccccc2)cc1F ZINC000168414917 926727112 /nfs/dbraw/zinc/72/71/12/926727112.db2.gz HQDQORMZWBZDGE-UHFFFAOYSA-N -1 1 280.299 3.479 20 0 CGADMM Cc1cnc(S[C@H]2CCCc3cccnc32)[n-]c1=O ZINC001364615365 937233618 /nfs/dbraw/zinc/23/36/18/937233618.db2.gz WLHWEQKOWGRQCH-NSHDSACASA-N -1 1 273.361 3.055 20 0 CGADMM Cc1cnc(SCc2ccccc2OC(F)F)[n-]c1=O ZINC001434451529 937248951 /nfs/dbraw/zinc/24/89/51/937248951.db2.gz LKBOVYYMJGSYQK-UHFFFAOYSA-N -1 1 298.314 3.384 20 0 CGADMM Cc1cnc(SCc2cccc(OC(F)F)c2)[n-]c1=O ZINC001412933409 928722705 /nfs/dbraw/zinc/72/27/05/928722705.db2.gz YOMQCNMRYPKAQD-UHFFFAOYSA-N -1 1 298.314 3.384 20 0 CGADMM CC(C)CCC[C@@H](C)NC(=O)c1cccc([O-])c1F ZINC001440949759 937335347 /nfs/dbraw/zinc/33/53/47/937335347.db2.gz TVGIDXNBTBKDQZ-LLVKDONJSA-N -1 1 267.344 3.476 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])cn1)c1ccc(Cl)s1 ZINC001444143999 937350908 /nfs/dbraw/zinc/35/09/08/937350908.db2.gz ZLWQLHSCMKTVTC-SECBINFHSA-N -1 1 296.779 3.383 20 0 CGADMM CC(C)=CCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001447683733 937370339 /nfs/dbraw/zinc/37/03/39/937370339.db2.gz YQYNORDXPNBKHX-UHFFFAOYSA-N -1 1 287.281 3.497 20 0 CGADMM O=C(NCC1CCC(F)(F)CC1)c1ccc(F)c([O-])c1 ZINC001448354555 937374595 /nfs/dbraw/zinc/37/45/95/937374595.db2.gz XMTAKXAWGNSUIC-UHFFFAOYSA-N -1 1 287.281 3.087 20 0 CGADMM CC(C)C[C@H](C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001546031180 937390502 /nfs/dbraw/zinc/39/05/02/937390502.db2.gz YPHPXDFLLXNFBQ-NSHDSACASA-N -1 1 287.359 3.415 20 0 CGADMM COc1cc(C)cc(C(=O)Nc2c([O-])cccc2F)c1C ZINC001453009882 937400107 /nfs/dbraw/zinc/40/01/07/937400107.db2.gz GCFZBRXOZXKOOC-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM O=c1ccc2c(OC3CCCCC3)cc([O-])cc2o1 ZINC001229134214 932102885 /nfs/dbraw/zinc/10/28/85/932102885.db2.gz GQTFENNYJBVMPB-UHFFFAOYSA-N -1 1 260.289 3.210 20 0 CGADMM CC[C@H](Oc1c([O-])c(OC)cc2ccc(=O)oc21)C(C)C ZINC001229214909 932116589 /nfs/dbraw/zinc/11/65/89/932116589.db2.gz ILAHXVJHQCITRH-NSHDSACASA-N -1 1 292.331 3.321 20 0 CGADMM CCCC[C@@H](C)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229218926 932117959 /nfs/dbraw/zinc/11/79/59/932117959.db2.gz QFWGLIQKWPHIKY-SNVBAGLBSA-N -1 1 292.331 3.465 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1CCOC(C)(C)C1 ZINC001229476600 932158801 /nfs/dbraw/zinc/15/88/01/932158801.db2.gz IAMBUQFUOARSNG-GFCCVEGCSA-N -1 1 278.348 3.321 20 0 CGADMM CCC[C@@H](Oc1nc(C)[n-]c(=O)c1OC)C(C)(C)C ZINC001230020567 932524322 /nfs/dbraw/zinc/52/43/22/932524322.db2.gz DNWRHECLLYSWPT-SNVBAGLBSA-N -1 1 268.357 3.093 20 0 CGADMM CCCCC[C@@H](Oc1nc(C(=O)OC)c[n-]1)C(C)C ZINC001230281972 932550585 /nfs/dbraw/zinc/55/05/85/932550585.db2.gz MXGLIMLIVWGFKR-GFCCVEGCSA-N -1 1 268.357 3.180 20 0 CGADMM CC(C)c1nn(C)cc1NCc1ccc([O-])c(F)c1F ZINC001462158853 937622216 /nfs/dbraw/zinc/62/22/16/937622216.db2.gz WUFNMPZCGUWZCW-UHFFFAOYSA-N -1 1 281.306 3.139 20 0 CGADMM CCc1noc(C)c1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001304284318 932848562 /nfs/dbraw/zinc/84/85/62/932848562.db2.gz KSSGCNSRQAHSAE-UHFFFAOYSA-N -1 1 298.701 3.296 20 0 CGADMM CCC(C)(C)c1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC001306522824 932882769 /nfs/dbraw/zinc/88/27/69/932882769.db2.gz VAZNFSWZRPELJZ-UHFFFAOYSA-N -1 1 284.359 3.149 20 0 CGADMM CSc1cc(C(=O)Nc2nc(Cl)ccc2[O-])co1 ZINC001306828196 932887981 /nfs/dbraw/zinc/88/79/81/932887981.db2.gz XADNHCDHEGJRAF-UHFFFAOYSA-N -1 1 284.724 3.008 20 0 CGADMM CCCCCCSc1nc([O-])cc(=O)n1CCCC ZINC001307406034 932948477 /nfs/dbraw/zinc/94/84/77/932948477.db2.gz JPXPAUQWRIMBKS-UHFFFAOYSA-N -1 1 284.425 3.215 20 0 CGADMM CC(C)[C@@H](CC1CCCCC1)C(=O)Nc1c[n-][nH]c1=O ZINC001413842022 933288642 /nfs/dbraw/zinc/28/86/42/933288642.db2.gz CHEYEPMVLHXIKM-GFCCVEGCSA-N -1 1 279.384 3.296 20 0 CGADMM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC001463840116 937681635 /nfs/dbraw/zinc/68/16/35/937681635.db2.gz FAYWXROPAZOODI-SECBINFHSA-N -1 1 291.363 3.068 20 0 CGADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc([O-])c2F)C1 ZINC001465441377 937701041 /nfs/dbraw/zinc/70/10/41/937701041.db2.gz CWJZLRYWXWCJBI-WDEREUQCSA-N -1 1 297.395 3.278 20 0 CGADMM O=C(NC[C@H]1CCc2ccccc2C1)c1ccc(F)c([O-])c1 ZINC001466483693 937709648 /nfs/dbraw/zinc/70/96/48/937709648.db2.gz PMOWLWBURYGQOB-LBPRGKRZSA-N -1 1 299.345 3.066 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NCC(C(C)C)C(C)C)c1 ZINC001467252490 937716590 /nfs/dbraw/zinc/71/65/90/937716590.db2.gz FYZVRJAOEPWJJV-UHFFFAOYSA-N -1 1 291.391 3.171 20 0 CGADMM Cc1cccc(C(=O)Nc2ccc([O-])c(F)c2F)c1F ZINC001468003469 937723710 /nfs/dbraw/zinc/72/37/10/937723710.db2.gz JZEIJTWQDQUVHU-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM C[C@H]1Cc2cc(C(=O)Nc3c([O-])cccc3F)ccc2O1 ZINC001469929557 937745678 /nfs/dbraw/zinc/74/56/78/937745678.db2.gz STUHABQPTSYOSO-VIFPVBQESA-N -1 1 287.290 3.107 20 0 CGADMM Cc1ncc([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])s1 ZINC001471009450 937760130 /nfs/dbraw/zinc/76/01/30/937760130.db2.gz WYCROXCPSBQEHY-ZETCQYMHSA-N -1 1 296.779 3.302 20 0 CGADMM C[C@@H](CN(C)C(=O)c1ccc([O-])cn1)C1CCCCC1 ZINC001471014081 937760609 /nfs/dbraw/zinc/76/06/09/937760609.db2.gz PORRQCCBNGFYBC-LBPRGKRZSA-N -1 1 276.380 3.076 20 0 CGADMM O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1cc2ccccc2cc1[O-] ZINC001471398414 937765074 /nfs/dbraw/zinc/76/50/74/937765074.db2.gz WLKUNDRWFARPIS-VXGBXAGGSA-N -1 1 295.260 3.226 20 0 CGADMM COCc1ccc(C(=O)Nc2cc(F)c([O-])cc2Cl)o1 ZINC001472193390 937773832 /nfs/dbraw/zinc/77/38/32/937773832.db2.gz YFUQMKHBYXIPLC-UHFFFAOYSA-N -1 1 299.685 3.176 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cccc(O)c1 ZINC001472193368 937773912 /nfs/dbraw/zinc/77/39/12/937773912.db2.gz XNJNOKJSNIOQAF-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM O=C(Nc1c[n-][nH]c1=O)c1ccc2c(c1)oc1ccccc12 ZINC001472570720 937778165 /nfs/dbraw/zinc/77/81/65/937778165.db2.gz MFLJPLSDSWSRJG-UHFFFAOYSA-N -1 1 293.282 3.267 20 0 CGADMM Cc1cc(CSc2nc(-c3ccccc3)cc(=O)[n-]2)no1 ZINC001473094274 937792323 /nfs/dbraw/zinc/79/23/23/937792323.db2.gz NLDXNPXKTMYODK-UHFFFAOYSA-N -1 1 299.355 3.438 20 0 CGADMM CC(C)c1ccc(COCc2nn[n-]n2)c(C(C)C)c1 ZINC001333150432 935514042 /nfs/dbraw/zinc/51/40/42/935514042.db2.gz QHCAEJCUKPRMIW-UHFFFAOYSA-N -1 1 274.368 3.163 20 0 CGADMM [O-]c1ccc(CN2CC(c3ccc(F)cc3)C2)c(F)c1F ZINC001474567176 937867640 /nfs/dbraw/zinc/86/76/40/937867640.db2.gz BBQLAEFFEWCFAD-UHFFFAOYSA-N -1 1 293.288 3.409 20 0 CGADMM C[C@@H]1CCCCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001479211791 937917423 /nfs/dbraw/zinc/91/74/23/937917423.db2.gz SDIVSNANKGXKHJ-LLVKDONJSA-N -1 1 296.798 3.377 20 0 CGADMM CC[C@@H](CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)C(C)C ZINC001525142854 938047858 /nfs/dbraw/zinc/04/78/58/938047858.db2.gz PFQWLAWJDLSYMC-NSHDSACASA-N -1 1 291.395 3.072 20 0 CGADMM C[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)[C@H](C)C(C)(C)C ZINC001538229933 938116401 /nfs/dbraw/zinc/11/64/01/938116401.db2.gz NGWDUUPRBMMVTB-RQJHMYQMSA-N -1 1 292.305 3.080 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2cc(C(C)(C)F)on2)on1 ZINC001540314285 938129910 /nfs/dbraw/zinc/12/99/10/938129910.db2.gz PYVJLYKMNCMBRU-UHFFFAOYSA-N -1 1 281.287 3.243 20 0 CGADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(F)c([O-])c2)C1 ZINC001540604681 938132415 /nfs/dbraw/zinc/13/24/15/938132415.db2.gz BDZHYKHFEMMCGU-ZYHUDNBSSA-N -1 1 265.328 3.182 20 0 CGADMM CCCCCC[C@@H](C)NC(=O)c1ncc(C)cc1[O-] ZINC001540652640 938132730 /nfs/dbraw/zinc/13/27/30/938132730.db2.gz OEFRCZKXCVSDID-GFCCVEGCSA-N -1 1 264.369 3.184 20 0 CGADMM CCC[C@@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC001540665375 938132931 /nfs/dbraw/zinc/13/29/31/938132931.db2.gz SRWHCJCOBONLRH-CYBMUJFWSA-N -1 1 270.332 3.058 20 0 CGADMM CCC[C@H](C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001541125837 938134701 /nfs/dbraw/zinc/13/47/01/938134701.db2.gz DQNRNGOBXOTFNZ-QMMMGPOBSA-N -1 1 275.270 3.329 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c([O-])c1 ZINC001543128712 938137844 /nfs/dbraw/zinc/13/78/44/938137844.db2.gz YKTHLUPPFKWWHN-QWHCGFSZSA-N -1 1 276.380 3.040 20 0 CGADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(F)c(F)c1 ZINC001543931287 938142382 /nfs/dbraw/zinc/14/23/82/938142382.db2.gz VNLWBFJBQBSCQR-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001552228981 938190437 /nfs/dbraw/zinc/19/04/37/938190437.db2.gz PPQKZMRUAXHNHB-UONOGXRCSA-N -1 1 299.374 3.336 20 0 CGADMM O=C(CCc1ccccc1)Nc1cc(F)cc(F)c1[O-] ZINC001557085937 938207793 /nfs/dbraw/zinc/20/77/93/938207793.db2.gz AFKJFTJIILYZFN-UHFFFAOYSA-N -1 1 277.270 3.242 20 0 CGADMM C[C@H]1CN(Cc2ccc([O-])c(F)c2F)c2ccccc2O1 ZINC001560734243 938273070 /nfs/dbraw/zinc/27/30/70/938273070.db2.gz IYTNBQXTWNRPGJ-JTQLQIEISA-N -1 1 291.297 3.458 20 0 CGADMM O=C([O-])CCN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC001602014093 971122454 /nfs/dbraw/zinc/12/24/54/971122454.db2.gz XISLVMNAPRUHHM-HNNXBMFYSA-N -1 1 299.374 3.078 20 0 CGADMM O=C([O-])c1ccc(CN[C@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001595232037 949352567 /nfs/dbraw/zinc/35/25/67/949352567.db2.gz BQDSWPHSHROLGF-RDJZCZTQSA-N -1 1 285.318 3.112 20 0 CGADMM O=C([O-])c1ccc(CN[C@@H]2CSc3ccccc32)s1 ZINC001595232385 949357546 /nfs/dbraw/zinc/35/75/46/949357546.db2.gz YGPRDRNMHKBKNQ-LLVKDONJSA-N -1 1 291.397 3.383 20 0 CGADMM COc1ccc(C)cc1CNCc1ccc(C(=O)[O-])s1 ZINC001594082519 958278055 /nfs/dbraw/zinc/27/80/55/958278055.db2.gz FZGULBMQLMNDQF-UHFFFAOYSA-N -1 1 291.372 3.053 20 0 CGADMM O=C([O-])CC1CCN(Cc2cccc(F)c2Cl)CC1 ZINC000166465112 959309109 /nfs/dbraw/zinc/30/91/09/959309109.db2.gz JTIAGPZFSAHMGU-UHFFFAOYSA-N -1 1 285.746 3.166 20 0 CGADMM [O-]c1c(F)cc(-c2ccc(-c3nc[nH]n3)cc2)cc1F ZINC001244093663 960417650 /nfs/dbraw/zinc/41/76/50/960417650.db2.gz KCADDBYRKGHCRG-UHFFFAOYSA-N -1 1 273.242 3.123 20 0 CGADMM Cc1cc([C@H](C)N(C)CCOC(C)(C)C)oc1C(=O)[O-] ZINC001600140158 960541989 /nfs/dbraw/zinc/54/19/89/960541989.db2.gz RQLVWNVCCBGHTP-NSHDSACASA-N -1 1 283.368 3.094 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2C[C@H](C)CCC[C@@H]2C)c1 ZINC001565785448 960821170 /nfs/dbraw/zinc/82/11/70/960821170.db2.gz ILFVTEYOYPPGKO-YPMHNXCESA-N -1 1 289.375 3.164 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2C[C@@H](C)CCC[C@H]2C)c1 ZINC001565785447 960826258 /nfs/dbraw/zinc/82/62/58/960826258.db2.gz ILFVTEYOYPPGKO-WCQYABFASA-N -1 1 289.375 3.164 20 0 CGADMM CCc1ccc(CCNC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001565820641 960833642 /nfs/dbraw/zinc/83/36/42/960833642.db2.gz OTKOBECYNRDLEV-UHFFFAOYSA-N -1 1 287.334 3.066 20 0 CGADMM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc([O-])cn1 ZINC001566347713 960924160 /nfs/dbraw/zinc/92/41/60/960924160.db2.gz SAKIAFZUIAKWFW-OAHLLOKOSA-N -1 1 298.386 3.271 20 0 CGADMM Cc1cnc(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)c([O-])c1 ZINC001566882965 961050091 /nfs/dbraw/zinc/05/00/91/961050091.db2.gz DFCRRIWHEBGZEU-MLGOLLRUSA-N -1 1 296.370 3.149 20 0 CGADMM C[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)c1ccco1 ZINC001569010594 961664928 /nfs/dbraw/zinc/66/49/28/961664928.db2.gz GGBRXHVUJSTNFI-SSDOTTSWSA-N -1 1 267.231 3.006 20 0 CGADMM CC1(C)CCN(C(=O)c2ccc([O-])cn2)c2ccccc21 ZINC001569935966 961869989 /nfs/dbraw/zinc/86/99/89/961869989.db2.gz CVBBQEDVTZXGGI-UHFFFAOYSA-N -1 1 282.343 3.115 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@]2(C)CCCC[C@@H]2C)c1 ZINC001570095324 961905959 /nfs/dbraw/zinc/90/59/59/961905959.db2.gz OBLDQIWRZMYLQN-SJCJKPOMSA-N -1 1 289.375 3.212 20 0 CGADMM CN(CCC(C)(C)C)C(=O)c1cccc([O-])c1F ZINC001570691846 962043588 /nfs/dbraw/zinc/04/35/88/962043588.db2.gz JPTAPFGIJBTPNJ-UHFFFAOYSA-N -1 1 253.317 3.040 20 0 CGADMM CCc1cccc(NCc2csc(-c3nn[n-]n3)c2)c1 ZINC001578534292 962590352 /nfs/dbraw/zinc/59/03/52/962590352.db2.gz UXHBGKGDYSWTEC-UHFFFAOYSA-N -1 1 285.376 3.103 20 0 CGADMM C/C=C\C[C@H]1CCCN(C(=O)c2cccc([O-])c2F)C1 ZINC001586498725 963111134 /nfs/dbraw/zinc/11/11/34/963111134.db2.gz HDYFZIQXOKDIRW-DLGQBQFBSA-N -1 1 277.339 3.350 20 0 CGADMM CC[C@H](C)[C@H](C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001586471966 963113351 /nfs/dbraw/zinc/11/33/51/963113351.db2.gz SGGREAWJSLJMPY-QWRGUYRKSA-N -1 1 287.359 3.415 20 0 CGADMM O=C(Nc1cccc2cccnc21)c1ccc(F)c([O-])c1 ZINC001586868778 963147224 /nfs/dbraw/zinc/14/72/24/963147224.db2.gz IGNHYXVLMLSJMV-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CC[C@@H](N[C@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC001589566936 964001541 /nfs/dbraw/zinc/00/15/41/964001541.db2.gz AGUTZOJCSLCBKY-ZYHUDNBSSA-N -1 1 261.321 3.255 20 0 CGADMM Cc1ccc([C@@H](C)NCc2nc(C(=O)[O-])cs2)s1 ZINC000393155755 972565673 /nfs/dbraw/zinc/56/56/73/972565673.db2.gz QLSBNSIPCADHBH-MRVPVSSYSA-N -1 1 282.390 3.062 20 0 CGADMM CCCc1ccc(CN([C@@H](C)C(=O)[O-])C2CC2)s1 ZINC001603691715 974079028 /nfs/dbraw/zinc/07/90/28/974079028.db2.gz BYKDMESNTBOMDK-JTQLQIEISA-N -1 1 267.394 3.138 20 0 CGADMM CC[C@H](N[C@@H]1CCC[C@H](CCCC(=O)[O-])C1)C(F)F ZINC001595284139 980353557 /nfs/dbraw/zinc/35/35/57/980353557.db2.gz PPIGCTAPFUYLOD-UTUOFQBUSA-N -1 1 277.355 3.433 20 0 CGADMM CC[C@H](NCc1ccc(F)cn1)c1ccc(C(=O)[O-])cc1 ZINC001595299721 980430237 /nfs/dbraw/zinc/43/02/37/980430237.db2.gz DBHGFOHFOKRUTD-HNNXBMFYSA-N -1 1 288.322 3.160 20 0 CGADMM CC[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)CCCO1 ZINC001595490042 981240429 /nfs/dbraw/zinc/24/04/29/981240429.db2.gz YXOCCANJTATIDR-CYBMUJFWSA-N -1 1 297.782 3.039 20 0 CGADMM Cc1[nH]c(CN2C[C@@H](C)[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001599961847 985797466 /nfs/dbraw/zinc/79/74/66/985797466.db2.gz JSPXIYSFYJKPEP-BDJLRTHQSA-N -1 1 284.359 3.214 20 0 CGADMM C[C@@H]1Oc2ccccc2[C@@H]1NCc1csc(C(=O)[O-])c1 ZINC001594655988 986900806 /nfs/dbraw/zinc/90/08/06/986900806.db2.gz ZTGCQGATFFDHIL-LKFCYVNXSA-N -1 1 289.356 3.058 20 0 CGADMM CCc1[nH]c(CN2C3CCCC2CCC3)cc1C(=O)[O-] ZINC001597384662 987589580 /nfs/dbraw/zinc/58/95/80/987589580.db2.gz NFISWMFDHCYOTI-UHFFFAOYSA-N -1 1 276.380 3.182 20 0 CGADMM CC(C)C[C@@]1(C)CCC[N@H+]1Cc1nc(C(=O)[O-])cs1 ZINC001591197247 992016686 /nfs/dbraw/zinc/01/66/86/992016686.db2.gz WXSKYJVWMVVEHQ-CQSZACIVSA-N -1 1 282.409 3.242 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccnc(Cl)c1 ZINC001598514014 992599415 /nfs/dbraw/zinc/59/94/15/992599415.db2.gz QZXPCKHMZVYGQQ-UHFFFAOYSA-N -1 1 290.750 3.065 20 0 CGADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccn1 ZINC001593190544 994123571 /nfs/dbraw/zinc/12/35/71/994123571.db2.gz QLPLVUHWXBDFGA-QMTHXVAHSA-N -1 1 290.750 3.212 20 0 CGADMM C[C@H](NC/C=C/c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593258218 994540179 /nfs/dbraw/zinc/54/01/79/994540179.db2.gz XTDAXJLOFDPJEC-ZCRIDZFUSA-N -1 1 271.316 3.342 20 0 CGADMM C[C@@H](NCc1cccs1)c1ccccc1OCC(=O)[O-] ZINC001593304653 994750473 /nfs/dbraw/zinc/75/04/73/994750473.db2.gz QOEAJUQBZBBAGZ-LLVKDONJSA-N -1 1 291.372 3.062 20 0 CGADMM C[C@@H](NCc1ccsc1)c1ccccc1OCC(=O)[O-] ZINC001593310032 994771582 /nfs/dbraw/zinc/77/15/82/994771582.db2.gz FLJJBECFDMPRMT-LLVKDONJSA-N -1 1 291.372 3.062 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@H]1C1CCCC1 ZINC000651586980 398256167 /nfs/dbraw/zinc/25/61/67/398256167.db2.gz UTXQEAHASRVGMG-RYUDHWBXSA-N -1 1 263.312 3.296 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H](CC(F)(F)F)C(C)C)s[n-]1 ZINC000337943595 214324243 /nfs/dbraw/zinc/32/42/43/214324243.db2.gz MRICXSAVHMFFKK-SFYZADRCSA-N -1 1 297.346 3.056 20 0 CGADMM CCc1ccc(C(=O)N2CCc3cccc(F)c32)c([O-])c1 ZINC000436832515 529600819 /nfs/dbraw/zinc/60/08/19/529600819.db2.gz RVJHLQIJUVWBLJ-UHFFFAOYSA-N -1 1 285.318 3.297 20 0 CGADMM CCc1ccc(O)c(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000436609962 529693339 /nfs/dbraw/zinc/69/33/39/529693339.db2.gz WTRFUBACDFLSHK-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM C[C@H]1CCN(Cc2cc(F)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000335537825 212236236 /nfs/dbraw/zinc/23/62/36/212236236.db2.gz DYPJPLJMLSNOSM-CABZTGNLSA-N -1 1 285.746 3.022 20 0 CGADMM CCc1ncc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000436741394 529758838 /nfs/dbraw/zinc/75/88/38/529758838.db2.gz VESXEFPGUHOFBU-UHFFFAOYSA-N -1 1 293.326 3.150 20 0 CGADMM O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1[O-] ZINC000045754565 345030140 /nfs/dbraw/zinc/03/01/40/345030140.db2.gz SUHBVTJWAKRVPR-UHFFFAOYSA-N -1 1 288.372 3.370 20 0 CGADMM CSCc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000066588289 345300853 /nfs/dbraw/zinc/30/08/53/345300853.db2.gz AWHGBPBFZJFVKO-UHFFFAOYSA-N -1 1 293.413 3.350 20 0 CGADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])CC(C)(C)C1 ZINC000436834332 290761437 /nfs/dbraw/zinc/76/14/37/290761437.db2.gz MKDGCXXQKFUFSW-SNVBAGLBSA-N -1 1 265.328 3.040 20 0 CGADMM CC(C)c1nsc([N-]c2cnn(CC(F)(F)F)c2)n1 ZINC000092655693 345849650 /nfs/dbraw/zinc/84/96/50/345849650.db2.gz JELLKMXJCMQVBW-UHFFFAOYSA-N -1 1 291.302 3.164 20 0 CGADMM CC[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C1CC1 ZINC000323819667 346490708 /nfs/dbraw/zinc/49/07/08/346490708.db2.gz DKNFNYWSLOQXQK-LLVKDONJSA-N -1 1 298.180 3.073 20 0 CGADMM Cc1cnc(S[C@H]2C=CCCCCC2)[n-]c1=O ZINC000584793664 346714875 /nfs/dbraw/zinc/71/48/75/346714875.db2.gz TXDNTCZPNPLRRS-NSHDSACASA-N -1 1 250.367 3.472 20 0 CGADMM CCSC1(CN=c2[n-]c(C(F)(F)F)cs2)CC1 ZINC000596511724 347471186 /nfs/dbraw/zinc/47/11/86/347471186.db2.gz SURVOMMKASGWHU-UHFFFAOYSA-N -1 1 282.356 3.281 20 0 CGADMM O=C(Cc1ccc2c(c1)CCC2)Nc1c([O-])cccc1F ZINC000605439384 348155615 /nfs/dbraw/zinc/15/56/15/348155615.db2.gz WDGNJPYYUDKVKB-UHFFFAOYSA-N -1 1 285.318 3.201 20 0 CGADMM CCc1cccc(OCC(=O)Nc2c([O-])cccc2F)c1 ZINC000608365272 348301527 /nfs/dbraw/zinc/30/15/27/348301527.db2.gz CEWAGHMEEWHIIN-UHFFFAOYSA-N -1 1 289.306 3.111 20 0 CGADMM CCc1nc(C)c(C(=O)Nc2c([O-])cccc2F)s1 ZINC000608367424 348302491 /nfs/dbraw/zinc/30/24/91/348302491.db2.gz QLRBBLLCXATZPK-UHFFFAOYSA-N -1 1 280.324 3.111 20 0 CGADMM O=[S@@](C=C([O-])c1ccc[nH]1)Cc1cccc2ccccc21 ZINC000609372705 348343352 /nfs/dbraw/zinc/34/33/52/348343352.db2.gz IJKANRNGLXFHTD-OAQYLSRUSA-N -1 1 297.379 3.300 20 0 CGADMM CCc1c(C)[n-]n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000614186685 348656678 /nfs/dbraw/zinc/65/66/78/348656678.db2.gz GGIXGZMBVFFNJB-GFCCVEGCSA-N -1 1 284.281 3.450 20 0 CGADMM CCCc1c(C)[n-]n(-c2cccc(Cl)c2)c1=O ZINC000614184713 348656980 /nfs/dbraw/zinc/65/69/80/348656980.db2.gz CSGINFWTRXKYHY-LBPRGKRZSA-N -1 1 250.729 3.479 20 0 CGADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc([O-])c(F)c2)C1 ZINC000613510496 348613956 /nfs/dbraw/zinc/61/39/56/348613956.db2.gz PLPWCWFBHVWPHI-VXGBXAGGSA-N -1 1 297.395 3.278 20 0 CGADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613626380 348623820 /nfs/dbraw/zinc/62/38/20/348623820.db2.gz NEFLPGQUMVAFSU-SMDDNHRTSA-N -1 1 284.359 3.201 20 0 CGADMM O=C(CC1CCCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613663755 348626085 /nfs/dbraw/zinc/62/60/85/348626085.db2.gz DYGIVIJNVVRQOF-UHFFFAOYSA-N -1 1 285.347 3.301 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC000615225405 348725351 /nfs/dbraw/zinc/72/53/51/348725351.db2.gz AFOKXXBRHQIZKE-ZDUSSCGKSA-N -1 1 287.363 3.192 20 0 CGADMM CCCN(C(=O)c1ncc2ccccc2c1[O-])C(C)C ZINC000616695949 348869244 /nfs/dbraw/zinc/86/92/44/348869244.db2.gz QZYKYNNWPQQFAY-UHFFFAOYSA-N -1 1 272.348 3.201 20 0 CGADMM O=C(N[C@]12C[C@H]1CCC2)c1cc2ccccc2cc1[O-] ZINC000617202895 348931407 /nfs/dbraw/zinc/93/14/07/348931407.db2.gz VFJRGVAFTBZYMY-CXAGYDPISA-N -1 1 267.328 3.218 20 0 CGADMM CC(C)O[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625506235 350178772 /nfs/dbraw/zinc/17/87/72/350178772.db2.gz ZMWXYUXFTJTETJ-CYBMUJFWSA-N -1 1 269.772 3.045 20 0 CGADMM CC(C)N(Cc1ccco1)C(=O)c1cc(F)ccc1[O-] ZINC000271333385 191079504 /nfs/dbraw/zinc/07/95/04/191079504.db2.gz VWDYXWQOQFSRMC-UHFFFAOYSA-N -1 1 277.295 3.175 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H](OCC)C2CC2)n1 ZINC000629090349 350649135 /nfs/dbraw/zinc/64/91/35/350649135.db2.gz UNRDXKOJWHXMLZ-GFCCVEGCSA-N -1 1 282.409 3.042 20 0 CGADMM CO[C@@H](C(=O)Nc1cccc(F)c1[O-])C1CCCCC1 ZINC000628960309 350626532 /nfs/dbraw/zinc/62/65/32/350626532.db2.gz NPIPURAFVNOSCX-CQSZACIVSA-N -1 1 281.327 3.065 20 0 CGADMM C/C=C\C[C@@H]1CCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000629375536 350683380 /nfs/dbraw/zinc/68/33/80/350683380.db2.gz HYSOINAYBDIGOM-OTDNITJGSA-N -1 1 280.393 3.020 20 0 CGADMM C[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000630848386 350898637 /nfs/dbraw/zinc/89/86/37/350898637.db2.gz FKJWRRCWRDVOGJ-LLVKDONJSA-N -1 1 281.783 3.237 20 0 CGADMM Cc1nc(SC[C@H]2CCC[C@H](O)C2)[n-]c(=O)c1C1CC1 ZINC000631023440 350927105 /nfs/dbraw/zinc/92/71/05/350927105.db2.gz REKGVBRYVAHZLC-JQWIXIFHSA-N -1 1 294.420 3.011 20 0 CGADMM Cc1nc(SC[C@H]2C[C@H]2C)[n-]c(=O)c1C1CC1 ZINC000631023877 350927654 /nfs/dbraw/zinc/92/76/54/350927654.db2.gz ZDDAOHCZJIPNLN-GMSGAONNSA-N -1 1 250.367 3.116 20 0 CGADMM Cc1ncc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)s1 ZINC000631023895 350927994 /nfs/dbraw/zinc/92/79/94/350927994.db2.gz HGUHSXYTANTGKB-UHFFFAOYSA-N -1 1 293.417 3.425 20 0 CGADMM CC1(C[N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCC1 ZINC000631928623 351155058 /nfs/dbraw/zinc/15/50/58/351155058.db2.gz IIGZEIQELIZCMI-UHFFFAOYSA-N -1 1 293.335 3.076 20 0 CGADMM CC(C)C[C@@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632058727 351162756 /nfs/dbraw/zinc/16/27/56/351162756.db2.gz PNDUFBSFNLLEDI-SNVBAGLBSA-N -1 1 269.772 3.139 20 0 CGADMM CC1([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCCC1 ZINC000631784926 351141539 /nfs/dbraw/zinc/14/15/39/351141539.db2.gz IECRXKVJQUEITQ-UHFFFAOYSA-N -1 1 293.335 3.218 20 0 CGADMM C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632431547 351197708 /nfs/dbraw/zinc/19/77/08/351197708.db2.gz JZRUFWMXWHJNND-QMMMGPOBSA-N -1 1 295.351 3.320 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC1CCC2(CC2)CC1 ZINC000632766783 351214612 /nfs/dbraw/zinc/21/46/12/351214612.db2.gz YGZPDFKOGATUSC-UHFFFAOYSA-N -1 1 293.794 3.427 20 0 CGADMM C[C@@H]1CC(C)(C)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633429638 351303044 /nfs/dbraw/zinc/30/30/44/351303044.db2.gz DDSXXSLCKRXTGK-SNVBAGLBSA-N -1 1 281.783 3.235 20 0 CGADMM Cc1[n-]n(-c2ccccc2C(F)(F)F)c(=O)c1C1CC1 ZINC000634584580 351524348 /nfs/dbraw/zinc/52/43/48/351524348.db2.gz HEGRXLVLHMVUML-LBPRGKRZSA-N -1 1 282.265 3.454 20 0 CGADMM O=c1c2c([n-]n1Cc1ccccc1)CCCCCC2 ZINC000634584189 351524392 /nfs/dbraw/zinc/52/43/92/351524392.db2.gz VIDBMACCFRLGRB-CQSZACIVSA-N -1 1 256.349 3.355 20 0 CGADMM CCc1c(C)[n-]n(-c2cccc(Cl)c2F)c1=O 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CCCc1c(C)[n-]n(-c2cccc3cnccc32)c1=O ZINC000634623035 351547698 /nfs/dbraw/zinc/54/76/98/351547698.db2.gz VWOLCIUCIIHLST-CYBMUJFWSA-N -1 1 267.332 3.374 20 0 CGADMM CC(C)[C@H](Cc1ccccc1)n1[n-]c2c(c1=O)CCC2 ZINC000634621966 351547724 /nfs/dbraw/zinc/54/77/24/351547724.db2.gz ULPUHWAYQAFSPY-ZBFHGGJFSA-N -1 1 270.376 3.252 20 0 CGADMM CCCc1c(C)[n-]n(-c2cc(F)cc(F)c2F)c1=O ZINC000634633411 351554906 /nfs/dbraw/zinc/55/49/06/351554906.db2.gz VQUALQMZPOFRGZ-SECBINFHSA-N -1 1 270.254 3.243 20 0 CGADMM [O-]c1ccc(Cc2nc(COC3CCC3)no2)cc1Cl ZINC000634669441 351557142 /nfs/dbraw/zinc/55/71/42/351557142.db2.gz IPZMKGZRICSHDD-UHFFFAOYSA-N -1 1 294.738 3.089 20 0 CGADMM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ncccc1[O-] ZINC000291677819 198060694 /nfs/dbraw/zinc/06/06/94/198060694.db2.gz HIWGHNQKNSTAOO-VXGBXAGGSA-N -1 1 276.380 3.074 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000291952450 198114797 /nfs/dbraw/zinc/11/47/97/198114797.db2.gz QPBGWZLSWFHAPU-AWEZNQCLSA-N -1 1 293.313 3.075 20 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CSZMOHQNJWWXPE-LLVKDONJSA-N -1 1 297.358 3.467 20 0 CGADMM C[C@H]1CC(C)(C)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000412785017 235214875 /nfs/dbraw/zinc/21/48/75/235214875.db2.gz RJVJMMBEEBVSGN-VIFPVBQESA-N -1 1 267.756 3.306 20 0 CGADMM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1(C)C ZINC000273799641 192312835 /nfs/dbraw/zinc/31/28/35/192312835.db2.gz ZPSNBVQKYKBFRF-SNVBAGLBSA-N -1 1 291.420 3.265 20 0 CGADMM CC[C@]1(C)CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000294582437 199095798 /nfs/dbraw/zinc/09/57/98/199095798.db2.gz GXYFNWYLCZQWNH-CQSZACIVSA-N -1 1 269.772 3.047 20 0 CGADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc(F)c2)o1 ZINC000426771192 236313023 /nfs/dbraw/zinc/31/30/23/236313023.db2.gz ZNXBTYSOQBNAKQ-CYBMUJFWSA-N -1 1 277.295 3.033 20 0 CGADMM CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000436606391 237145207 /nfs/dbraw/zinc/14/52/07/237145207.db2.gz MNDBCYVCZYGPFJ-CZUORRHYSA-N -1 1 299.370 3.090 20 0 CGADMM O=C(NCCCOC1CCCC1)c1ccc(Cl)cc1[O-] ZINC000436540788 237124620 /nfs/dbraw/zinc/12/46/20/237124620.db2.gz UEJOHCLVOXZMBW-UHFFFAOYSA-N -1 1 297.782 3.125 20 0 CGADMM O=C(Nc1ccc2ccccc2n1)c1cc(F)ccc1[O-] ZINC000436560473 237127831 /nfs/dbraw/zinc/12/78/31/237127831.db2.gz BOEJNPLZYHVXIG-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(N[C@H]1CCCC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000436600124 237142071 /nfs/dbraw/zinc/14/20/71/237142071.db2.gz CVLVRTQCWMFOBP-VIFPVBQESA-N -1 1 289.709 3.353 20 0 CGADMM CN(C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CC1(C)C ZINC000436727595 237171056 /nfs/dbraw/zinc/17/10/56/237171056.db2.gz AGMDBAAUCGFCRY-CQSZACIVSA-N -1 1 269.344 3.416 20 0 CGADMM CSC1(c2nc(-c3ccc([O-])cc3F)no2)CCC1 ZINC000436878183 237201695 /nfs/dbraw/zinc/20/16/95/237201695.db2.gz IXCJCNSAYSAGRC-UHFFFAOYSA-N -1 1 280.324 3.324 20 0 CGADMM COc1cc(C(=O)N(C)C2CCCCC2)cc(Cl)c1[O-] ZINC000335668844 212388959 /nfs/dbraw/zinc/38/89/59/212388959.db2.gz HYZUDSMECQCCAE-UHFFFAOYSA-N -1 1 297.782 3.459 20 0 CGADMM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1sccc1Cl ZINC000451403798 240293695 /nfs/dbraw/zinc/29/36/95/240293695.db2.gz MUODEBNGRPZGCN-MRVPVSSYSA-N -1 1 293.841 3.259 20 0 CGADMM CCC[C@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000481326370 243186647 /nfs/dbraw/zinc/18/66/47/243186647.db2.gz YBXKVXYPVPFEHS-LURJTMIESA-N -1 1 266.288 3.482 20 0 CGADMM CC(C)CCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000025313841 368844694 /nfs/dbraw/zinc/84/46/94/368844694.db2.gz HSYRSCNECXJWEB-UHFFFAOYSA-N -1 1 255.745 3.212 20 0 CGADMM O=S(=O)([N-]c1cccc(O)c1)c1cccc2ccccc21 ZINC000033890839 368969892 /nfs/dbraw/zinc/96/98/92/368969892.db2.gz NAKOXCFVLYYSFK-UHFFFAOYSA-N -1 1 299.351 3.346 20 0 CGADMM CCCN(C(=O)c1cc(Cl)ccc1[O-])C(C)C ZINC000037096471 369061228 /nfs/dbraw/zinc/06/12/28/369061228.db2.gz JEGWUPCNPLVSBP-UHFFFAOYSA-N -1 1 255.745 3.306 20 0 CGADMM Cc1nc(S[C@@H](C)c2cccnc2)[n-]c(=O)c1C ZINC000330673508 203101552 /nfs/dbraw/zinc/10/15/52/203101552.db2.gz HJZCQZIUYNADKA-JTQLQIEISA-N -1 1 261.350 3.047 20 0 CGADMM CCC1(CNC(=O)c2c[nH]c3ccccc3c2=O)CCCC1 ZINC000129184014 370977801 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ZINC000444450698 373190714 /nfs/dbraw/zinc/19/07/14/373190714.db2.gz QBIRKZCQISJFBN-UHFFFAOYSA-N -1 1 282.299 3.140 20 0 CGADMM CCC(CC)C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000448254617 373558739 /nfs/dbraw/zinc/55/87/39/373558739.db2.gz FSCQXNVOIPMYKA-UHFFFAOYSA-N -1 1 293.317 3.152 20 0 CGADMM O=c1nc(CN2CCC[C@H](C3CC3)C2)[n-]c2ccsc21 ZINC000289507560 197382793 /nfs/dbraw/zinc/38/27/93/197382793.db2.gz UVIIJNYNLMGTOC-NSHDSACASA-N -1 1 289.404 3.019 20 0 CGADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([O-])cc1F ZINC000181223181 374097050 /nfs/dbraw/zinc/09/70/50/374097050.db2.gz VHRWUWLRXVVWRI-HFAKWTLXSA-N -1 1 277.339 3.325 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000087777610 296209896 /nfs/dbraw/zinc/20/98/96/296209896.db2.gz KPCCSMCKUHUBQI-MFKMUULPSA-N -1 1 279.767 3.450 20 0 CGADMM CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000307780033 374153051 /nfs/dbraw/zinc/15/30/51/374153051.db2.gz TYENXJISBWIUJT-NSHDSACASA-N -1 1 279.355 3.430 20 0 CGADMM CC(C)c1cnc(C[N-]c2nnc([C@H]3CCCO3)o2)s1 ZINC000181712039 374158748 /nfs/dbraw/zinc/15/87/48/374158748.db2.gz WFTBQGAAYDGCMB-SECBINFHSA-N -1 1 294.380 3.113 20 0 CGADMM [O-]c1cccc(CNc2ccccc2CO)c1Cl ZINC000328234747 374363278 /nfs/dbraw/zinc/36/32/78/374363278.db2.gz PHXROOIFZGRMGV-UHFFFAOYSA-N -1 1 263.724 3.150 20 0 CGADMM CCC[C@H](C)[C@H]1CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000331183263 374512150 /nfs/dbraw/zinc/51/21/50/374512150.db2.gz IHURGTJYAAPRQE-QWHCGFSZSA-N -1 1 276.380 3.136 20 0 CGADMM CN(C(=O)c1c(F)ccc([O-])c1F)c1ccc(F)cc1 ZINC000334166646 206129855 /nfs/dbraw/zinc/12/98/55/206129855.db2.gz AFBMXXFASZNEFJ-UHFFFAOYSA-N -1 1 281.233 3.086 20 0 CGADMM COc1cc(C(=O)Nc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000334177998 206149620 /nfs/dbraw/zinc/14/96/20/206149620.db2.gz DFBLLEWRTCPFDF-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CCC[C@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000185871050 374757733 /nfs/dbraw/zinc/75/77/33/374757733.db2.gz KPXNGYQENOMNKS-NSHDSACASA-N -1 1 291.420 3.139 20 0 CGADMM O=C([N-]c1nnc(C(F)F)s1)c1sccc1Cl ZINC000334254247 206261742 /nfs/dbraw/zinc/26/17/42/206261742.db2.gz DBQVPJAOTYHFAN-UHFFFAOYSA-N -1 1 295.723 3.443 20 0 CGADMM O=C(Nc1cccc2c1OCCC2)c1ccc([O-])cc1F ZINC000334539870 374835871 /nfs/dbraw/zinc/83/58/71/374835871.db2.gz GDUJXMYPCGYPHT-UHFFFAOYSA-N -1 1 287.290 3.109 20 0 CGADMM CCOc1cc(C(=O)Nc2nccs2)cc(Cl)c1[O-] ZINC000186425623 374849024 /nfs/dbraw/zinc/84/90/24/374849024.db2.gz KKBOMYOSBIYQCR-UHFFFAOYSA-N -1 1 298.751 3.153 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H]1C(F)(F)F ZINC000334654574 374947176 /nfs/dbraw/zinc/94/71/76/374947176.db2.gz XSCNFNNADYXMJF-RNFRBKRXSA-N -1 1 279.645 3.183 20 0 CGADMM O=C(Nc1cc(C2CC2)ccn1)c1ccc([O-])cc1F ZINC000334658192 374949814 /nfs/dbraw/zinc/94/98/14/374949814.db2.gz JKYPHRXWQKTXRF-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM CCC1CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000335073678 375107479 /nfs/dbraw/zinc/10/74/79/375107479.db2.gz AEBBRSUIBXIXMJ-UHFFFAOYSA-N -1 1 255.317 3.027 20 0 CGADMM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ncccc1[O-] ZINC000188259665 375185530 /nfs/dbraw/zinc/18/55/30/375185530.db2.gz PHYVEOSBDPOROP-SFHVURJKSA-N -1 1 296.370 3.025 20 0 CGADMM [O-]c1cccc(CN[C@@H]2COc3ccc(F)cc32)c1Cl ZINC000336039902 375638988 /nfs/dbraw/zinc/63/89/88/375638988.db2.gz VLJKFXRATDDFRA-GFCCVEGCSA-N -1 1 293.725 3.408 20 0 CGADMM COc1ncccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192202551 375712055 /nfs/dbraw/zinc/71/20/55/375712055.db2.gz LCJZZFXENINCCS-UHFFFAOYSA-N -1 1 293.710 3.093 20 0 CGADMM Cc1ccc2nc(-c3ccc(OCCC(=O)[O-])cc3)[nH]c2c1 ZINC000534629420 375994722 /nfs/dbraw/zinc/99/47/22/375994722.db2.gz ARGRTXLBCZAJAB-UHFFFAOYSA-N -1 1 296.326 3.392 20 0 CGADMM CSc1ccc(C(=O)Nc2ccc(F)cc2[O-])o1 ZINC000334301269 206333384 /nfs/dbraw/zinc/33/33/84/206333384.db2.gz XBNIGMRIIPNEEO-UHFFFAOYSA-N -1 1 267.281 3.099 20 0 CGADMM C[C@H]1C[C@H](C)N(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000231348293 376555913 /nfs/dbraw/zinc/55/59/13/376555913.db2.gz HZJOYSBWPIFEKU-IUCAKERBSA-N -1 1 298.180 3.025 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC=C(c2ccco2)C1 ZINC000334317300 206358463 /nfs/dbraw/zinc/35/84/63/206358463.db2.gz QDBUAVSYXHLNLB-UHFFFAOYSA-N -1 1 287.290 3.054 20 0 CGADMM CCCC1(C[N-]S(=O)(=O)c2sccc2F)CCC1 ZINC000338931946 376579877 /nfs/dbraw/zinc/57/98/77/376579877.db2.gz WHTHXHRGEFGZNI-UHFFFAOYSA-N -1 1 291.413 3.136 20 0 CGADMM CCCc1cc(=O)[n-]c(SCC[C@H]2CCCCO2)n1 ZINC000543643974 376662811 /nfs/dbraw/zinc/66/28/11/376662811.db2.gz BWGQXLPARBZYBJ-GFCCVEGCSA-N -1 1 282.409 3.186 20 0 CGADMM O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1cncc([O-])c1 ZINC000339815642 376855932 /nfs/dbraw/zinc/85/59/32/376855932.db2.gz TXEBTKHIKOZDFE-SJORKVTESA-N -1 1 296.370 3.243 20 0 CGADMM O=C(CCOCc1ccccc1)Nc1ccc(F)cc1[O-] ZINC000340329360 377005561 /nfs/dbraw/zinc/00/55/61/377005561.db2.gz AHWMFLHSEITURP-UHFFFAOYSA-N -1 1 289.306 3.077 20 0 CGADMM CC(C)CCc1nc(CN2CC[C@@H](C(=O)[O-])[C@@H]2C)cs1 ZINC000563290979 377440156 /nfs/dbraw/zinc/44/01/56/377440156.db2.gz XVHPRDUFCDEJRP-WCQYABFASA-N -1 1 296.436 3.027 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\c3cscn3)n2)cc1F ZINC000515763655 249219803 /nfs/dbraw/zinc/21/98/03/249219803.db2.gz HEYHNSVEJKJLCQ-RQOWECAXSA-N -1 1 289.291 3.208 20 0 CGADMM CCC[C@H](NC(=O)c1cncc([O-])c1)C1CCCCC1 ZINC000518457177 249281194 /nfs/dbraw/zinc/28/11/94/249281194.db2.gz NVCCDNNPYPGAMI-HNNXBMFYSA-N -1 1 276.380 3.266 20 0 CGADMM COc1cc(C(=O)NC(C)(C)C(C)C)cc(Cl)c1[O-] ZINC000518890864 249288259 /nfs/dbraw/zinc/28/82/59/249288259.db2.gz MBDLQALANISTOA-UHFFFAOYSA-N -1 1 285.771 3.219 20 0 CGADMM CC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1nc(C)cs1 ZINC000263407058 377933798 /nfs/dbraw/zinc/93/37/98/377933798.db2.gz KFQVZOUXUMBRQZ-CYBMUJFWSA-N -1 1 290.388 3.391 20 0 CGADMM Cc1nc2c(Cl)cccc2c(NCCC(=O)[O-])c1C ZINC000263457231 377939320 /nfs/dbraw/zinc/93/93/20/377939320.db2.gz BAVOXGLMGLULDQ-UHFFFAOYSA-N -1 1 278.739 3.392 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1F ZINC000263509160 377942330 /nfs/dbraw/zinc/94/23/30/377942330.db2.gz MXARRKJEWPLMES-MWLCHTKSSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(C(=O)[O-])cc2)o1 ZINC000263508836 377943082 /nfs/dbraw/zinc/94/30/82/377943082.db2.gz YDJOPMRZJZCTMI-ABAIWWIYSA-N -1 1 285.343 3.391 20 0 CGADMM CCc1ccc(CCSc2ncc(C)c(=O)[n-]2)cc1 ZINC000578144556 378042956 /nfs/dbraw/zinc/04/29/56/378042956.db2.gz XAVHOFCCVJTRBL-UHFFFAOYSA-N -1 1 274.389 3.388 20 0 CGADMM CC(C)(CC(=O)Nc1ccc(F)cc1[O-])C1CC1 ZINC000343890399 378126866 /nfs/dbraw/zinc/12/68/66/378126866.db2.gz UGWJKPHMFWHUGH-UHFFFAOYSA-N -1 1 251.301 3.296 20 0 CGADMM CCS[C@@H]1CCCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000272296962 378607557 /nfs/dbraw/zinc/60/75/57/378607557.db2.gz VZZLVZOFIIATFQ-GFCCVEGCSA-N -1 1 297.395 3.279 20 0 CGADMM CCC[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000348850468 379085677 /nfs/dbraw/zinc/08/56/77/379085677.db2.gz UJFCETPAGJQOEN-JTQLQIEISA-N -1 1 283.318 3.323 20 0 CGADMM O=C(NCCCC(F)(F)F)c1c[nH]c2ccccc2c1=O ZINC000266466265 190259557 /nfs/dbraw/zinc/25/95/57/190259557.db2.gz AVLGTWDGLUYIAM-UHFFFAOYSA-N -1 1 298.264 3.013 20 0 CGADMM Cc1ccnc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)c1 ZINC000349287438 379218333 /nfs/dbraw/zinc/21/83/33/379218333.db2.gz NLUPQMBVRBUDCP-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM C[C@H]1CC[C@H](CCc2nc(-c3ccc([O-])cc3F)no2)O1 ZINC000278212852 379319348 /nfs/dbraw/zinc/31/93/48/379319348.db2.gz QIRYRRMOHIXKQO-GXSJLCMTSA-N -1 1 292.310 3.081 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccncc3F)n2)c(Cl)c1 ZINC000350812193 379587197 /nfs/dbraw/zinc/58/71/97/379587197.db2.gz FPFCEMVSKYWBAI-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM Cc1ccccc1CN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000347673566 218316668 /nfs/dbraw/zinc/31/66/68/218316668.db2.gz KNVXGVJQVSIGMX-UHFFFAOYSA-N -1 1 291.297 3.251 20 0 CGADMM C[C@H](CC(F)F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000351217052 379681365 /nfs/dbraw/zinc/68/13/65/379681365.db2.gz JLCOOGWDPIJFLN-ZCFIWIBFSA-N -1 1 272.226 3.340 20 0 CGADMM Cc1oc(C(=O)[O-])cc1C[N@H+]1CCC2(C1)CCCCC2 ZINC000380176845 379861653 /nfs/dbraw/zinc/86/16/53/379861653.db2.gz CCDWMHJLMRAAIV-UHFFFAOYSA-N -1 1 277.364 3.442 20 0 CGADMM CC[C@@H](CNC(=O)c1ccc([O-])cc1F)CC(F)(F)F ZINC000402490534 379966132 /nfs/dbraw/zinc/96/61/32/379966132.db2.gz VWJTVAASTPQDRN-MRVPVSSYSA-N -1 1 293.260 3.240 20 0 CGADMM CCCC[C@H](C)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000643027246 380205034 /nfs/dbraw/zinc/20/50/34/380205034.db2.gz DUONIILJYPJGDW-JTQLQIEISA-N -1 1 253.317 3.182 20 0 CGADMM O=C(Nc1ccc(-c2ccco2)cc1F)c1cncc([O-])c1 ZINC000355506881 380692347 /nfs/dbraw/zinc/69/23/47/380692347.db2.gz RHWINFRRYCBCCP-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM CO[C@@H](C)c1nc(=N[C@@H](C2CCC2)C2CCCC2)s[n-]1 ZINC000645334346 380652953 /nfs/dbraw/zinc/65/29/53/380652953.db2.gz VCXGNCZUBXEKHT-GXFFZTMASA-N -1 1 295.452 3.438 20 0 CGADMM CC1(C)CC(CC(=O)Nc2c([O-])cccc2F)C1 ZINC000645926935 380781769 /nfs/dbraw/zinc/78/17/69/380781769.db2.gz UJNZWTTZGBSAPR-UHFFFAOYSA-N -1 1 251.301 3.296 20 0 CGADMM O=C(CCCn1cccc1)Nc1ccc([O-])c(Cl)c1 ZINC000357372754 381131497 /nfs/dbraw/zinc/13/14/97/381131497.db2.gz KVGLWXRZMPYTQZ-UHFFFAOYSA-N -1 1 278.739 3.266 20 0 CGADMM CN(C(=O)c1cc2ccccc2cc1[O-])C(C)(C)C ZINC000334799634 207097994 /nfs/dbraw/zinc/09/79/94/207097994.db2.gz LIUJLUOFMUQTSH-UHFFFAOYSA-N -1 1 257.333 3.416 20 0 CGADMM CCSc1cccc(F)c1[N-]C(=O)c1cnc(C)cn1 ZINC000362179751 381900491 /nfs/dbraw/zinc/90/04/91/381900491.db2.gz GXLHZKSRSDWWET-UHFFFAOYSA-N -1 1 291.351 3.288 20 0 CGADMM Cc1ccc([C@@H]2CCN(C(=O)c3ccc([O-])cc3F)C2)cc1 ZINC000363756832 382254291 /nfs/dbraw/zinc/25/42/91/382254291.db2.gz QNSVRXNFHYJNIN-CQSZACIVSA-N -1 1 299.345 3.469 20 0 CGADMM Cc1nc(SCCOc2cccc(F)c2)[n-]c(=O)c1C ZINC000539616378 288623005 /nfs/dbraw/zinc/62/30/05/288623005.db2.gz HRJBEFVITNVFNH-UHFFFAOYSA-N -1 1 294.351 3.109 20 0 CGADMM CC(C)c1nn(C)cc1[N-]c1nc2ccccc2o1 ZINC000280913054 195026388 /nfs/dbraw/zinc/02/63/88/195026388.db2.gz HTKGCHPCEVSVPM-UHFFFAOYSA-N -1 1 256.309 3.428 20 0 CGADMM CC(C)(C)C1=CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000289393895 197326039 /nfs/dbraw/zinc/32/60/39/197326039.db2.gz FKUQKPWHYLVTCB-UHFFFAOYSA-N -1 1 295.329 3.489 20 0 CGADMM O=c1nc(-c2ccc3c(c2)CCC3)[n-]c2ccsc21 ZINC000356899241 285225013 /nfs/dbraw/zinc/22/50/13/285225013.db2.gz YEZGFSQAMFEQRS-UHFFFAOYSA-N -1 1 268.341 3.140 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N(CC1CC1)CC1CC1 ZINC000070505952 392183806 /nfs/dbraw/zinc/18/38/06/392183806.db2.gz HJDSBVIUAKEDOH-UHFFFAOYSA-N -1 1 279.767 3.308 20 0 CGADMM CC(C)c1nsc([N-]c2cnn(C(C)C)c2)n1 ZINC000087641790 392226584 /nfs/dbraw/zinc/22/65/84/392226584.db2.gz BLBJRIKNYHCIPM-UHFFFAOYSA-N -1 1 251.359 3.183 20 0 CGADMM CC1(C(=O)[O-])CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000647458036 392727289 /nfs/dbraw/zinc/72/72/89/392727289.db2.gz NXBXONHISVGWTI-UHFFFAOYSA-N -1 1 288.322 3.065 20 0 CGADMM CO[C@@H](C)c1nc(=NCCCCC2CCCC2)s[n-]1 ZINC000509557114 392759234 /nfs/dbraw/zinc/75/92/34/392759234.db2.gz ZDTROHVHFPWWSM-NSHDSACASA-N -1 1 283.441 3.440 20 0 CGADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(C)(C(=O)[O-])CC1 ZINC000647375930 392711430 /nfs/dbraw/zinc/71/14/30/392711430.db2.gz JIMWUGSTTGDTGQ-NSHDSACASA-N -1 1 294.395 3.220 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H](C)CCc2ccccc2)n1 ZINC000195059544 392954824 /nfs/dbraw/zinc/95/48/24/392954824.db2.gz SRYWSCOHDPQFNB-GFCCVEGCSA-N -1 1 288.416 3.446 20 0 CGADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])CC(F)F ZINC000648470381 393041935 /nfs/dbraw/zinc/04/19/35/393041935.db2.gz OTZIQZRITPXMCU-SSDOTTSWSA-N -1 1 277.698 3.067 20 0 CGADMM C[C@@H]1C[C@@H](NCc2cccc([O-])c2Cl)c2nccn21 ZINC000648776416 393247411 /nfs/dbraw/zinc/24/74/11/393247411.db2.gz KXUQAJAVCUBZOL-MWLCHTKSSA-N -1 1 277.755 3.038 20 0 CGADMM CC(C)N(CC1CCC1)C(=O)c1ccc([O-])cc1F ZINC000278247963 393316239 /nfs/dbraw/zinc/31/62/39/393316239.db2.gz WXBXIFLHGUGILR-UHFFFAOYSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1cnc([C@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)cn1 ZINC000488269658 393476348 /nfs/dbraw/zinc/47/63/48/393476348.db2.gz YVZWUJHYRMETGG-ZETCQYMHSA-N -1 1 298.318 3.072 20 0 CGADMM CCc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)n[nH]1 ZINC000445450503 393795158 /nfs/dbraw/zinc/79/51/58/393795158.db2.gz YLNHKHXWZCKMCA-UHFFFAOYSA-N -1 1 290.710 3.048 20 0 CGADMM CC[C@H](C)[C@@H](CN=c1[n-]c(C(F)(F)F)cs1)OC ZINC000450614147 394031528 /nfs/dbraw/zinc/03/15/28/394031528.db2.gz ANXKOLSHBXFIGL-JGVFFNPUSA-N -1 1 282.331 3.057 20 0 CGADMM [O-]c1ccc(-c2noc(COCC3CCCC3)n2)c(F)c1 ZINC000453172152 394195146 /nfs/dbraw/zinc/19/51/46/394195146.db2.gz GOOALYVWTMQPDH-UHFFFAOYSA-N -1 1 292.310 3.288 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])c(F)c1)[C@H]1CC1(C)C ZINC000668029621 542960290 /nfs/dbraw/zinc/96/02/90/542960290.db2.gz AVZCDHZQYWLRPA-PWSUYJOCSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCC(=O)c2ccccc21 ZINC000670814584 543158599 /nfs/dbraw/zinc/15/85/99/543158599.db2.gz XBMZKGPWANHNMN-LBPRGKRZSA-N -1 1 299.301 3.230 20 0 CGADMM CC(C)CCN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000042239469 397613561 /nfs/dbraw/zinc/61/35/61/397613561.db2.gz YSPLSOOVAWEQCN-UHFFFAOYSA-N -1 1 255.745 3.164 20 0 CGADMM Cc1cnc(C)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000650490386 397857821 /nfs/dbraw/zinc/85/78/21/397857821.db2.gz SCECUKYTLSDBGK-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM CC(C)=CCC[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000650748722 397907150 /nfs/dbraw/zinc/90/71/50/397907150.db2.gz MHLQTVBGLXHKQV-LLVKDONJSA-N -1 1 265.328 3.396 20 0 CGADMM C[C@@H](CC(=O)Nc1c([O-])cccc1F)c1ccncc1 ZINC000674903287 543304653 /nfs/dbraw/zinc/30/46/53/543304653.db2.gz VNHZFSJDOMWKOP-JTQLQIEISA-N -1 1 274.295 3.059 20 0 CGADMM C[C@@H]1CC[C@H](CC(=O)Nc2c([O-])cccc2F)C1 ZINC000675228280 543323363 /nfs/dbraw/zinc/32/33/63/543323363.db2.gz OETGGJPWKLRAEE-ZJUUUORDSA-N -1 1 251.301 3.296 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccn(C2CCCC2)n1 ZINC000675708389 543356728 /nfs/dbraw/zinc/35/67/28/543356728.db2.gz QCPUICSKWPSXII-UHFFFAOYSA-N -1 1 289.310 3.095 20 0 CGADMM Cc1occc1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000678960322 543577616 /nfs/dbraw/zinc/57/76/16/543577616.db2.gz KUNSULXREOYVFF-UHFFFAOYSA-N -1 1 299.248 3.242 20 0 CGADMM COc1ccccc1CSc1nc(C)c(C)c(=O)[n-]1 ZINC000679009721 543582212 /nfs/dbraw/zinc/58/22/12/543582212.db2.gz QVUYABDQYQUZDC-UHFFFAOYSA-N -1 1 276.361 3.100 20 0 CGADMM Cc1nc(S[C@@H](C)c2ccncc2)[n-]c(=O)c1C ZINC000679009671 543582119 /nfs/dbraw/zinc/58/21/19/543582119.db2.gz PSFQVTWTAXZHNI-JTQLQIEISA-N -1 1 261.350 3.047 20 0 CGADMM Cc1nc(SCc2ccc(Cl)cn2)[n-]c(=O)c1C ZINC000554425393 289282753 /nfs/dbraw/zinc/28/27/53/289282753.db2.gz AOVNTRJMQQUGMH-UHFFFAOYSA-N -1 1 281.768 3.140 20 0 CGADMM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1CCCCC(=O)[O-] ZINC000181559809 297167406 /nfs/dbraw/zinc/16/74/06/297167406.db2.gz AXRKCCUZXLNUBP-KEYYUXOJSA-N -1 1 291.391 3.092 20 0 CGADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000048653416 286908702 /nfs/dbraw/zinc/90/87/02/286908702.db2.gz FHVFYSQDNOTKMC-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM CN(CCc1ccccc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000073917705 287007501 /nfs/dbraw/zinc/00/75/01/287007501.db2.gz KVNOTVKABQZQGW-UHFFFAOYSA-N -1 1 289.762 3.360 20 0 CGADMM O=C(NCc1nccc2ccccc21)c1cc(F)ccc1[O-] ZINC000080007143 287062261 /nfs/dbraw/zinc/06/22/61/287062261.db2.gz UUZPAFHITLXGMO-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM CO[C@@H](C)c1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000080023282 287062583 /nfs/dbraw/zinc/06/25/83/287062583.db2.gz IRTLGOUGOWOCBY-JTQLQIEISA-N -1 1 289.306 3.491 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1coc(-c2ccccc2)n1 ZINC000089397463 287089290 /nfs/dbraw/zinc/08/92/90/287089290.db2.gz LRRRYOWKYVJFQI-UHFFFAOYSA-N -1 1 297.314 3.453 20 0 CGADMM C[C@@]1(C(=O)[O-])CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000062936275 165031555 /nfs/dbraw/zinc/03/15/55/165031555.db2.gz SIQPRGJHGUPOAO-CYBMUJFWSA-N -1 1 288.174 3.290 20 0 CGADMM CCCN(CC(=O)[O-])Cc1c(Cl)cccc1Cl ZINC000038021759 174001140 /nfs/dbraw/zinc/00/11/40/174001140.db2.gz VAESLTXXCMTCAA-UHFFFAOYSA-N -1 1 276.163 3.290 20 0 CGADMM CCC[C@](C)(NCc1nc2ccccc2s1)C(=O)[O-] ZINC000038090473 174103698 /nfs/dbraw/zinc/10/36/98/174103698.db2.gz SVCOPTDYYSXGAK-AWEZNQCLSA-N -1 1 278.377 3.029 20 0 CGADMM CCCN(CC)C(=O)c1ccc(Br)cc1[O-] ZINC000044490600 175180625 /nfs/dbraw/zinc/18/06/25/175180625.db2.gz HCCLDTLRNFSDPY-UHFFFAOYSA-N -1 1 286.169 3.027 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(-c2cccs2)no1 ZINC000128809362 287319032 /nfs/dbraw/zinc/31/90/32/287319032.db2.gz JNQZAUQKQHTDGW-UHFFFAOYSA-N -1 1 262.265 3.310 20 0 CGADMM CC[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)sc1Cl ZINC000308355515 416529940 /nfs/dbraw/zinc/52/99/40/416529940.db2.gz ZHHTYDNVFSOORV-ZETCQYMHSA-N -1 1 282.192 3.350 20 0 CGADMM C[C@H]1CN(Cc2ccc(F)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000311445367 416531468 /nfs/dbraw/zinc/53/14/68/416531468.db2.gz JZMSWPXNTSNLPO-ONGXEEELSA-N -1 1 285.746 3.022 20 0 CGADMM CC[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@H](C)CO1 ZINC000403876452 416549716 /nfs/dbraw/zinc/54/97/16/416549716.db2.gz MSZAXBINDLPAHH-DOMZBBRYSA-N -1 1 299.370 3.185 20 0 CGADMM CC(C)O[C@H]1CCC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000404573739 416555284 /nfs/dbraw/zinc/55/52/84/416555284.db2.gz JNLSDVJJCSZBHZ-ZDUSSCGKSA-N -1 1 283.799 3.435 20 0 CGADMM Cc1cc(CNC(=O)c2ccc(Cl)cc2[O-])ccc1F ZINC000436531554 533681085 /nfs/dbraw/zinc/68/10/85/533681085.db2.gz FKIOYMPCQAQIKB-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000180330375 287339728 /nfs/dbraw/zinc/33/97/28/287339728.db2.gz MLTKRRNRMBGZGB-SECBINFHSA-N -1 1 287.281 3.283 20 0 CGADMM CCc1ccc(CN(C)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681016167 543756407 /nfs/dbraw/zinc/75/64/07/543756407.db2.gz XQHDPACYXPQBLA-UHFFFAOYSA-N -1 1 287.334 3.366 20 0 CGADMM O=C(Nc1ccc(Cl)cc1)c1ccc([O-])c(F)c1 ZINC000681015821 543756828 /nfs/dbraw/zinc/75/68/28/543756828.db2.gz RPTLCJGOJWEEEZ-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])c(F)c2)[C@@H]1C ZINC000681014733 543757087 /nfs/dbraw/zinc/75/70/87/543757087.db2.gz JWHKKNNXNYBLPD-BREBYQMCSA-N -1 1 265.328 3.086 20 0 CGADMM CCc1ccc(CNC(=O)c2ccc([O-])c(F)c2)s1 ZINC000681019029 543757252 /nfs/dbraw/zinc/75/72/52/543757252.db2.gz DGUZZXPXRTZXOQ-UHFFFAOYSA-N -1 1 279.336 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419069225 /nfs/dbraw/zinc/06/92/25/419069225.db2.gz HZNNIKSXXBSIGL-UHFFFAOYSA-N -1 1 293.841 3.259 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](C2CCC2)C1 ZINC000665676949 419146854 /nfs/dbraw/zinc/14/68/54/419146854.db2.gz KVKHCTORUCNRBI-LLVKDONJSA-N -1 1 279.767 3.308 20 0 CGADMM CC[C@@H](C)CC[N-]S(=O)(=O)c1sccc1Cl ZINC000657080866 419227176 /nfs/dbraw/zinc/22/71/76/419227176.db2.gz GQAHDUCMPAXUPN-MRVPVSSYSA-N -1 1 281.830 3.116 20 0 CGADMM CCc1nc(SCCOC2CCCC2)[n-]c(=O)c1C ZINC000657263750 419239911 /nfs/dbraw/zinc/23/99/11/419239911.db2.gz AGSTXAAIEVHVAZ-UHFFFAOYSA-N -1 1 282.409 3.104 20 0 CGADMM CC1(C)C[C@@H]1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000226260347 287634278 /nfs/dbraw/zinc/63/42/78/287634278.db2.gz RFJRBTAOYLBJKE-CYBMUJFWSA-N -1 1 269.344 3.321 20 0 CGADMM COc1ccccc1SCC(=O)c1ccc([O-])cc1 ZINC000041031071 270030145 /nfs/dbraw/zinc/03/01/45/270030145.db2.gz IAFNPHMGQADQQQ-UHFFFAOYSA-N -1 1 274.341 3.376 20 0 CGADMM Cc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1Cl ZINC000219962671 270085684 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1 297.782 3.075 20 0 CGADMM C[C@H]1c2cccn2CCN1Cc1cccc([O-])c1Cl ZINC000294998731 280133767 /nfs/dbraw/zinc/13/37/67/280133767.db2.gz UQVBQJPPOKFPCQ-NSHDSACASA-N -1 1 276.767 3.424 20 0 CGADMM CC(C)(CO)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538901 288260577 /nfs/dbraw/zinc/26/05/77/288260577.db2.gz NAOYYDAALBEFEG-UHFFFAOYSA-N -1 1 293.750 3.156 20 0 CGADMM C[C@H]1CC(F)(F)CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000530013072 288285154 /nfs/dbraw/zinc/28/51/54/288285154.db2.gz HJQLGYDBMONNGE-QMMMGPOBSA-N -1 1 289.709 3.305 20 0 CGADMM O=C(CC1CCC(=O)CC1)Nc1ccc([O-])c(Cl)c1 ZINC000530401483 288304518 /nfs/dbraw/zinc/30/45/18/288304518.db2.gz LAUQJSRFPLIQRS-UHFFFAOYSA-N -1 1 281.739 3.134 20 0 CGADMM O=C(c1ccccc1[O-])N1C[C@@H]2CCCN2c2ccccc21 ZINC000538745145 288587332 /nfs/dbraw/zinc/58/73/32/288587332.db2.gz USRFOXLNJNGCJE-ZDUSSCGKSA-N -1 1 294.354 3.021 20 0 CGADMM CC(C)(C)[C@@H](NC(=O)c1cc(F)ccc1[O-])C(F)(F)F ZINC000539874565 288636152 /nfs/dbraw/zinc/63/61/52/288636152.db2.gz 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RBMXOGNXQLYSQH-UHFFFAOYSA-N -1 1 293.310 3.221 20 0 CGADMM Cc1cccc2nc(-c3ccc4c(c3)CCC4)[n-]c(=O)c12 ZINC000567156776 322152170 /nfs/dbraw/zinc/15/21/70/322152170.db2.gz ZZJKYNRFMCQELY-UHFFFAOYSA-N -1 1 276.339 3.387 20 0 CGADMM CCc1cccc(CSc2ncc(C)c(=O)[n-]2)c1 ZINC000567521991 322166719 /nfs/dbraw/zinc/16/67/19/322166719.db2.gz CEUYUXGDJMOWMY-UHFFFAOYSA-N -1 1 260.362 3.345 20 0 CGADMM C[C@@H]1CN(CCCCCC(=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000568772456 322222192 /nfs/dbraw/zinc/22/21/92/322222192.db2.gz SNOVCWSYJMPUDB-ZBFHGGJFSA-N -1 1 291.391 3.093 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2ccsc2)[n-]1 ZINC000573459631 322389399 /nfs/dbraw/zinc/38/93/99/322389399.db2.gz KZLRQTYIFGIHKG-UHFFFAOYSA-N -1 1 264.375 3.413 20 0 CGADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H]1CCCCO1 ZINC000379300829 328801632 /nfs/dbraw/zinc/80/16/32/328801632.db2.gz PJFYIKKWPQCVHX-MLGOLLRUSA-N -1 1 299.370 3.233 20 0 CGADMM O=C([O-])C1(NCc2nc(C3CC3)cs2)CCCCCC1 ZINC000582852184 329280299 /nfs/dbraw/zinc/28/02/99/329280299.db2.gz XJPOUWNHUODKSL-UHFFFAOYSA-N -1 1 294.420 3.288 20 0 CGADMM C[C@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CC(C)(C)C1 ZINC000576314203 335188455 /nfs/dbraw/zinc/18/84/55/335188455.db2.gz JSBQPXQXPZGMHZ-SECBINFHSA-N -1 1 283.318 3.179 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H]2CCC[C@@H](C)C2)n1 ZINC000576692264 335234565 /nfs/dbraw/zinc/23/45/65/335234565.db2.gz RDCSEFBVZGMNCA-KOLCDFICSA-N -1 1 252.383 3.415 20 0 CGADMM O=C([O-])c1ccc(Cl)c(CN2CCCCC2)c1 ZINC000576761575 335244860 /nfs/dbraw/zinc/24/48/60/335244860.db2.gz RMHGFMSQASRWSR-UHFFFAOYSA-N -1 1 253.729 3.024 20 0 CGADMM Cc1nscc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000350813226 335535889 /nfs/dbraw/zinc/53/58/89/335535889.db2.gz NCVSMIKPQDQZBL-UHFFFAOYSA-N -1 1 277.280 3.013 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cccc4n[nH]cc43)n2)cc1F ZINC000350831385 335538236 /nfs/dbraw/zinc/53/82/36/335538236.db2.gz IHDYYPVPUIOPHI-UHFFFAOYSA-N -1 1 296.261 3.125 20 0 CGADMM Cc1ccsc1CN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000383747847 336117428 /nfs/dbraw/zinc/11/74/28/336117428.db2.gz PCZFNZLJGADGST-AWEZNQCLSA-N -1 1 275.373 3.314 20 0 CGADMM COc1ccc(C(=O)Nc2cnc3ccccc3c2)c([O-])c1 ZINC000387303920 336191091 /nfs/dbraw/zinc/19/10/91/336191091.db2.gz MURRDNYGUQAXSH-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1cccc(O)c1 ZINC000171384305 533746139 /nfs/dbraw/zinc/74/61/39/533746139.db2.gz YVLIXDMZILGQAR-VIFPVBQESA-N -1 1 291.734 3.242 20 0 CGADMM C[C@@H]1C[C@H](CNC(=O)c2cc3ccccc3cc2[O-])[C@@H](C)O1 ZINC000412643933 533870665 /nfs/dbraw/zinc/87/06/65/533870665.db2.gz QAQGIMKHWAILIX-LALPHHSUSA-N -1 1 299.370 3.089 20 0 CGADMM O=C(Nc1cccc(Cl)c1)c1ccc([O-])cc1F ZINC000181826908 534346837 /nfs/dbraw/zinc/34/68/37/534346837.db2.gz AWAQDJWMQIPEBS-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM CC(C)CCN(C(=O)c1ncccc1[O-])C1CCCC1 ZINC000094848809 519650174 /nfs/dbraw/zinc/65/01/74/519650174.db2.gz FNHVTLQLOKLCKD-UHFFFAOYSA-N -1 1 276.380 3.218 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3Cc4ccccc4O3)n2)c(F)c1 ZINC000445460177 534451013 /nfs/dbraw/zinc/45/10/13/534451013.db2.gz OAKYJKALTFRRKA-CQSZACIVSA-N -1 1 298.273 3.258 20 0 CGADMM O=C(NCc1coc2ccccc12)c1cc(F)ccc1[O-] ZINC000436549910 534696760 /nfs/dbraw/zinc/69/67/60/534696760.db2.gz RHGPRWNWGMBGPM-UHFFFAOYSA-N -1 1 285.274 3.208 20 0 CGADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1c([O-])cccc1F ZINC000436517544 534773172 /nfs/dbraw/zinc/77/31/72/534773172.db2.gz OIXFYLAPCUDVEL-GRYCIOLGSA-N -1 1 277.339 3.230 20 0 CGADMM CC(=O)[C@@H](Sc1nc(C)c(C)c(=O)[n-]1)c1ccccc1 ZINC000413001007 527131081 /nfs/dbraw/zinc/13/10/81/527131081.db2.gz OWGAWTVVTCCQIU-CYBMUJFWSA-N -1 1 288.372 3.221 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC=CCC1 ZINC000082192991 527235954 /nfs/dbraw/zinc/23/59/54/527235954.db2.gz FPYMOIKBZLXOFN-SECBINFHSA-N -1 1 251.713 3.340 20 0 CGADMM CCCC(O)(CCC)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000440215515 528017938 /nfs/dbraw/zinc/01/79/38/528017938.db2.gz KFVWCMFEXYCRFM-UHFFFAOYSA-N -1 1 299.798 3.107 20 0 CGADMM CCOc1cc(C(=O)NC[C@H]2CC2(C)C)cc(Cl)c1[O-] ZINC000358149286 528227313 /nfs/dbraw/zinc/22/73/13/528227313.db2.gz ZCTWCNVIXYBVBT-SNVBAGLBSA-N -1 1 297.782 3.220 20 0 CGADMM CC(C)C[C@H](C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000361379413 528452993 /nfs/dbraw/zinc/45/29/93/528452993.db2.gz VASSCUGOYJAVFT-JTQLQIEISA-N -1 1 277.393 3.181 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H]2CCOC(C)(C)C2)n1 ZINC000412980685 528613885 /nfs/dbraw/zinc/61/38/85/528613885.db2.gz SKAUKPUSHXFYMU-NSHDSACASA-N -1 1 282.409 3.184 20 0 CGADMM CCCOc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000192614377 528766805 /nfs/dbraw/zinc/76/68/05/528766805.db2.gz FSTSHJZDLWRBEP-UHFFFAOYSA-N -1 1 287.315 3.139 20 0 CGADMM CCN(Cc1ccccc1C)C(=O)c1ncc(C)cc1[O-] ZINC000426436632 528836250 /nfs/dbraw/zinc/83/62/50/528836250.db2.gz RUNPHXHJSXRJLF-UHFFFAOYSA-N -1 1 284.359 3.066 20 0 CGADMM CC1(C)CC[C@@H](CSc2nc(C3CC3)cc(=O)[n-]2)O1 ZINC000436264144 529024587 /nfs/dbraw/zinc/02/45/87/529024587.db2.gz UZTNAKNEXTYDFM-JTQLQIEISA-N -1 1 280.393 3.109 20 0 CGADMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC000451104946 535645268 /nfs/dbraw/zinc/64/52/68/535645268.db2.gz BJEHXAWJXUXDOV-HTQZYQBOSA-N -1 1 281.830 3.114 20 0 CGADMM Cc1ncsc1CN(C)C(=O)c1c([O-])cccc1Cl ZINC000731230349 572403090 /nfs/dbraw/zinc/40/30/90/572403090.db2.gz FTYUEBDCMNQBIS-UHFFFAOYSA-N -1 1 296.779 3.083 20 0 CGADMM O=C([O-])c1ccc(CNC2(c3ccccc3)CCC2)o1 ZINC000740130745 572434253 /nfs/dbraw/zinc/43/42/53/572434253.db2.gz KNIOOVJVBHCRMN-UHFFFAOYSA-N -1 1 271.316 3.147 20 0 CGADMM CC(C)[C@H]1CN(C(=O)c2c([O-])cccc2Cl)CCS1 ZINC000743788700 572683477 /nfs/dbraw/zinc/68/34/77/572683477.db2.gz NRHUMZFPPAZZAS-GFCCVEGCSA-N -1 1 299.823 3.259 20 0 CGADMM CCCCCOC1CN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000748406384 572975996 /nfs/dbraw/zinc/97/59/96/572975996.db2.gz OTEVTTWTEZFCAC-UHFFFAOYSA-N -1 1 297.782 3.077 20 0 CGADMM O=C(OCCc1ccccc1)c1c([O-])cc(F)cc1F ZINC000749279701 572991482 /nfs/dbraw/zinc/99/14/82/572991482.db2.gz OYMSVEJQBDRTMS-UHFFFAOYSA-N -1 1 278.254 3.070 20 0 CGADMM CCC1CCC(NCc2nc(C)c(C)s2)(C(=O)[O-])CC1 ZINC000829107511 602048942 /nfs/dbraw/zinc/04/89/42/602048942.db2.gz MRQUSLRDNZXXPL-UHFFFAOYSA-N -1 1 296.436 3.273 20 0 CGADMM CC(C)n1c2ccccc2nc1-c1ccc(-c2nnn[n-]2)o1 ZINC000820211247 599155411 /nfs/dbraw/zinc/15/54/11/599155411.db2.gz FHUGOUQWHIIJJG-UHFFFAOYSA-N -1 1 294.318 3.057 20 0 CGADMM CC(C)n1c2ccccc2nc1-c1ccc(-c2nn[n-]n2)o1 ZINC000820211247 599155414 /nfs/dbraw/zinc/15/54/14/599155414.db2.gz FHUGOUQWHIIJJG-UHFFFAOYSA-N -1 1 294.318 3.057 20 0 CGADMM CCCc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821142999 607308848 /nfs/dbraw/zinc/30/88/48/607308848.db2.gz NSKHZPNXJOHCOA-UHFFFAOYSA-N -1 1 299.403 3.493 20 0 CGADMM O=C([O-])c1cccc(CN[C@H]2CSc3ccccc32)c1 ZINC000821551728 598192592 /nfs/dbraw/zinc/19/25/92/598192592.db2.gz XEHJAMJENIMMLW-AWEZNQCLSA-N -1 1 285.368 3.321 20 0 CGADMM Cc1ccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1C ZINC000737319981 599419973 /nfs/dbraw/zinc/41/99/73/599419973.db2.gz IDGJVOSKZLRLIA-LBPRGKRZSA-N -1 1 294.362 3.052 20 0 CGADMM Cc1ccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1C ZINC000737319981 599419975 /nfs/dbraw/zinc/41/99/75/599419975.db2.gz IDGJVOSKZLRLIA-LBPRGKRZSA-N -1 1 294.362 3.052 20 0 CGADMM O=c1cc(C(F)F)nc(SCCC(F)(F)Cl)[n-]1 ZINC000863334518 629536645 /nfs/dbraw/zinc/53/66/45/629536645.db2.gz DJNQEAXBSADVFS-UHFFFAOYSA-N -1 1 290.669 3.434 20 0 CGADMM CN(Cc1ccc(F)cc1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000830825204 600982778 /nfs/dbraw/zinc/98/27/78/600982778.db2.gz HMAAELPQDYOVAE-OAHLLOKOSA-N -1 1 291.297 3.223 20 0 CGADMM C[C@@H]1c2ccccc2CN1Cc1cccc(C(=O)[O-])c1 ZINC000828526791 601116820 /nfs/dbraw/zinc/11/68/20/601116820.db2.gz DFDWOOHFLJYKKW-GFCCVEGCSA-N -1 1 267.328 3.462 20 0 CGADMM CN(Cc1cc2ccccc2o1)Cc1ccoc1C(=O)[O-] ZINC000830810643 601119499 /nfs/dbraw/zinc/11/94/99/601119499.db2.gz CONWSTBTDOGTRE-UHFFFAOYSA-N -1 1 285.299 3.356 20 0 CGADMM CC(C)[C@H]1CCc2[n-]n([C@@H]3C[C@@H](C)O[C@@H](C)C3)c(=O)c2C1 ZINC000899361410 620665844 /nfs/dbraw/zinc/66/58/44/620665844.db2.gz VMMVERBBDNIYIF-AIEDFZFUSA-N -1 1 292.423 3.213 20 0 CGADMM Cc1cc(N2CCC[C@@H]2CC(=O)[O-])c2cc(F)ccc2n1 ZINC000832890489 604469555 /nfs/dbraw/zinc/46/95/55/604469555.db2.gz GPVNYXOFZASCLS-GFCCVEGCSA-N -1 1 288.322 3.126 20 0 CGADMM CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc(Cl)s1 ZINC000833695005 604521063 /nfs/dbraw/zinc/52/10/63/604521063.db2.gz WQERRKPEHUIGON-UHFFFAOYSA-N -1 1 284.768 3.060 20 0 CGADMM CC(C)(C)c1cnc(CN[C@]2(C)CCCC[C@@H]2C(=O)[O-])o1 ZINC000833450131 604816310 /nfs/dbraw/zinc/81/63/10/604816310.db2.gz ZLCTZXGJFINNJO-BDJLRTHQSA-N -1 1 294.395 3.095 20 0 CGADMM CCc1ccc(CNCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000234193284 604914936 /nfs/dbraw/zinc/91/49/36/604914936.db2.gz GEQKFYKWFPCCSL-UHFFFAOYSA-N -1 1 273.332 3.138 20 0 CGADMM CC(C)c1ccc(CN(C)Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000833510548 605101106 /nfs/dbraw/zinc/10/11/06/605101106.db2.gz XMFKYRNVIFKAGJ-UHFFFAOYSA-N -1 1 286.375 3.468 20 0 CGADMM CCc1cnccc1[C@H](C)NCc1cc(C(=O)[O-])oc1C ZINC000833675694 605271348 /nfs/dbraw/zinc/27/13/48/605271348.db2.gz ZRFALENWVXKNHB-JTQLQIEISA-N -1 1 288.347 3.094 20 0 CGADMM CC1(C)CN(Cc2cc(C(=O)[O-])ccc2Cl)CCS1 ZINC000833561824 605837869 /nfs/dbraw/zinc/83/78/69/605837869.db2.gz UOZMQOPUWAMGDA-UHFFFAOYSA-N -1 1 299.823 3.366 20 0 CGADMM Cc1ccc(Oc2ncccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822267094 606433064 /nfs/dbraw/zinc/43/30/64/606433064.db2.gz OITMIDXIDNPFQD-UHFFFAOYSA-N -1 1 287.710 3.016 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H](C2CC2)C1 ZINC000811531768 617638867 /nfs/dbraw/zinc/63/88/67/617638867.db2.gz RGHXMXOQPMRTBA-NSHDSACASA-N -1 1 279.767 3.308 20 0 CGADMM CCc1nnc(C(=O)[N-]c2ccccc2SC)s1 ZINC000900067684 620754476 /nfs/dbraw/zinc/75/44/76/620754476.db2.gz ZAUBCLGPWITIRM-UHFFFAOYSA-N -1 1 279.390 3.075 20 0 CGADMM Cc1sc(CNCc2ccc(C)cc2C)nc1C(=O)[O-] ZINC000900064368 620757087 /nfs/dbraw/zinc/75/70/87/620757087.db2.gz KWJROTAFUQTNAK-UHFFFAOYSA-N -1 1 290.388 3.056 20 0 CGADMM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccccc1[O-] ZINC000175842546 617977287 /nfs/dbraw/zinc/97/72/87/617977287.db2.gz JHYZQAQACUVHPL-LBPRGKRZSA-N -1 1 283.327 3.128 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCCCCC1 ZINC000049081032 618057463 /nfs/dbraw/zinc/05/74/63/618057463.db2.gz TZECENDBGKGODY-UHFFFAOYSA-N -1 1 253.729 3.062 20 0 CGADMM Cc1oc(CN[C@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000235185609 618729846 /nfs/dbraw/zinc/72/98/46/618729846.db2.gz HYXLERUINWRROR-LLVKDONJSA-N -1 1 273.332 3.445 20 0 CGADMM CC(C)n1c(CNC(=O)CC2CCCCC2)n[n-]c1=S ZINC000066639860 618863246 /nfs/dbraw/zinc/86/32/46/618863246.db2.gz GXGAFCGWEPBAHS-UHFFFAOYSA-N -1 1 296.440 3.108 20 0 CGADMM CC(C)c1noc([N-][C@H](c2ccccn2)C2CC2)n1 ZINC000895793324 619886440 /nfs/dbraw/zinc/88/64/40/619886440.db2.gz KYUNXMVMVKSTHU-LBPRGKRZSA-N -1 1 258.325 3.151 20 0 CGADMM CC[C@H](C)N(OC)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897042536 620127645 /nfs/dbraw/zinc/12/76/45/620127645.db2.gz KLKCJPXHFULFHC-JTQLQIEISA-N -1 1 289.331 3.053 20 0 CGADMM Cc1ccc(-c2ccc(CN(C)CC(=O)[O-])s2)cc1 ZINC000263414183 620316736 /nfs/dbraw/zinc/31/67/36/620316736.db2.gz MPBYJOUYCZPHGA-UHFFFAOYSA-N -1 1 275.373 3.240 20 0 CGADMM CC(C)(C)C1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000897946855 620453431 /nfs/dbraw/zinc/45/34/31/620453431.db2.gz YTURMWZRFOMXDD-UHFFFAOYSA-N -1 1 299.370 3.369 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@@H](C)[C@H]1C ZINC000897989567 620462704 /nfs/dbraw/zinc/46/27/04/620462704.db2.gz OBDYTQRNGUEEAM-WOPDTQHZSA-N -1 1 299.370 3.368 20 0 CGADMM C/C(=C(\F)C(=O)Nc1c([O-])cccc1F)C1CC1 ZINC000901222525 620847227 /nfs/dbraw/zinc/84/72/27/620847227.db2.gz ZTUODDXAQVZKIT-YRNVUSSQSA-N -1 1 253.248 3.123 20 0 CGADMM CCc1oc(CN(C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000901416336 620880852 /nfs/dbraw/zinc/88/08/52/620880852.db2.gz FYKOWHZXTIZQDX-UHFFFAOYSA-N -1 1 291.322 3.311 20 0 CGADMM CO[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000901533597 620916244 /nfs/dbraw/zinc/91/62/44/620916244.db2.gz BOYGVDCTOYFPSK-SNVBAGLBSA-N -1 1 276.361 3.242 20 0 CGADMM CC[C@@H](C)C[C@@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000901676592 620966255 /nfs/dbraw/zinc/96/62/55/620966255.db2.gz XKPSQRXBPUXJJJ-ZYHUDNBSSA-N -1 1 298.452 3.420 20 0 CGADMM CCc1ccc(CNCc2ccc(C(=O)[O-])cc2F)s1 ZINC000901754850 621013743 /nfs/dbraw/zinc/01/37/43/621013743.db2.gz IDGDROQIUHPEMD-UHFFFAOYSA-N -1 1 293.363 3.438 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN[C@H]1CCCc2occc21 ZINC000902130513 621167209 /nfs/dbraw/zinc/16/72/09/621167209.db2.gz GJOMVYSJJJMPBP-LBPRGKRZSA-N -1 1 275.304 3.046 20 0 CGADMM Cc1oc(CNC(C)(C)c2cccs2)cc1C(=O)[O-] ZINC000902260721 621213851 /nfs/dbraw/zinc/21/38/51/621213851.db2.gz ZIMNZRGVEMHQBE-UHFFFAOYSA-N -1 1 279.361 3.373 20 0 CGADMM Cc1cccc([C@H](C)NCc2cccc(C(=O)[O-])n2)c1C ZINC000902268727 621233252 /nfs/dbraw/zinc/23/32/52/621233252.db2.gz HMGNVIVMAQBHOQ-ZDUSSCGKSA-N -1 1 284.359 3.247 20 0 CGADMM Cc1ccccc1C1(NCc2cc(C(=O)[O-])co2)CC1 ZINC000902272379 621236528 /nfs/dbraw/zinc/23/65/28/621236528.db2.gz WERADDKLXWLUCD-UHFFFAOYSA-N -1 1 271.316 3.065 20 0 CGADMM CCc1oc(CN2CCCC(F)(F)CC2)cc1C(=O)[O-] ZINC000902303011 621247023 /nfs/dbraw/zinc/24/70/23/621247023.db2.gz DUSMWOJZDJSIQZ-UHFFFAOYSA-N -1 1 287.306 3.161 20 0 CGADMM Cc1ccc(C2(NCc3cccc(C(=O)[O-])n3)CCC2)cc1 ZINC000902309473 621249651 /nfs/dbraw/zinc/24/96/51/621249651.db2.gz NWTPWWZOAUPXNR-UHFFFAOYSA-N -1 1 296.370 3.257 20 0 CGADMM CSc1ccccc1CN(C)Cc1ccoc1C(=O)[O-] ZINC000902327817 621264474 /nfs/dbraw/zinc/26/44/74/621264474.db2.gz XCGBKOAKFIOERC-UHFFFAOYSA-N -1 1 291.372 3.332 20 0 CGADMM CC(C)c1cccc(CNCc2cccc(C(=O)[O-])n2)c1 ZINC000902356813 621287772 /nfs/dbraw/zinc/28/77/72/621287772.db2.gz WSIVYVIRYRQEIM-UHFFFAOYSA-N -1 1 284.359 3.193 20 0 CGADMM Cc1ccc([C@@H](C)[N@@H+](C)Cc2cc(C(=O)[O-])no2)c(C)c1 ZINC000902547813 621371540 /nfs/dbraw/zinc/37/15/40/621371540.db2.gz UHMRXNRRGYROOS-GFCCVEGCSA-N -1 1 288.347 3.183 20 0 CGADMM Cc1ccc([C@@H](C)N(C)Cc2cc(C(=O)[O-])no2)c(C)c1 ZINC000902547813 621371543 /nfs/dbraw/zinc/37/15/43/621371543.db2.gz UHMRXNRRGYROOS-GFCCVEGCSA-N -1 1 288.347 3.183 20 0 CGADMM Cc1cc(C)c([N-]S(=O)(=O)c2cnccc2C)c(C)c1 ZINC000903102276 621576180 /nfs/dbraw/zinc/57/61/80/621576180.db2.gz VRGSEHJELRNGPD-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc(C(=O)[O-])s1 ZINC000903688183 621785703 /nfs/dbraw/zinc/78/57/03/621785703.db2.gz SWZYWCHWHKIFLT-LKFCYVNXSA-N -1 1 289.356 3.058 20 0 CGADMM CC[C@H]1CCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])C1 ZINC000903899262 621830209 /nfs/dbraw/zinc/83/02/09/621830209.db2.gz WHXCGSRBTJJSRY-QMMMGPOBSA-N -1 1 291.269 3.229 20 0 CGADMM CCCCc1nc(CN2CC[C@H](C(=O)[O-])C[C@@H]2C)cs1 ZINC000903938421 621835731 /nfs/dbraw/zinc/83/57/31/621835731.db2.gz SLOHTDDINOVVAH-RYUDHWBXSA-N -1 1 296.436 3.171 20 0 CGADMM O=C([O-])c1cc(F)ccc1CN(Cc1ccoc1)C1CC1 ZINC000903946760 621839741 /nfs/dbraw/zinc/83/97/41/621839741.db2.gz NCNNJUHZSXWMCM-UHFFFAOYSA-N -1 1 289.306 3.282 20 0 CGADMM COc1cnc(C=Cc2ccc(C3CC3)cc2)[n-]c1=O ZINC000905076897 622037570 /nfs/dbraw/zinc/03/75/70/622037570.db2.gz NGPCGWFOHVFQOE-WTKPLQERSA-N -1 1 268.316 3.239 20 0 CGADMM COc1cnc(C=Cc2ncc(C(C)(C)C)s2)[n-]c1=O ZINC000905076470 622037630 /nfs/dbraw/zinc/03/76/30/622037630.db2.gz IARKKHQPOJZMNY-WAYWQWQTSA-N -1 1 291.376 3.115 20 0 CGADMM CCC/C=C/C(=O)Nc1cccc([O-])c1Br ZINC000908709654 622369115 /nfs/dbraw/zinc/36/91/15/622369115.db2.gz JBTRQMJLTZDKSF-XBXARRHUSA-N -1 1 284.153 3.450 20 0 CGADMM C[C@H]1CC[C@@H](CC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909983691 622444527 /nfs/dbraw/zinc/44/45/27/622444527.db2.gz AQCHZKJOELBRCB-DTWKUNHWSA-N -1 1 269.291 3.435 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CC12CCCC2 ZINC000909983165 622445088 /nfs/dbraw/zinc/44/50/88/622445088.db2.gz RGIFXEYGILDOBO-QMMMGPOBSA-N -1 1 267.275 3.189 20 0 CGADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cc([O-])c(F)cc1F ZINC000909987660 622445100 /nfs/dbraw/zinc/44/51/00/622445100.db2.gz BGKMMJXWUPKRBE-VGMNWLOBSA-N -1 1 267.275 3.045 20 0 CGADMM CCCC(C)(C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988319 622445916 /nfs/dbraw/zinc/44/59/16/622445916.db2.gz FSJHIVQZAMUTCS-UHFFFAOYSA-N -1 1 257.280 3.435 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000909988536 622446515 /nfs/dbraw/zinc/44/65/15/622446515.db2.gz ORUIPVLFGHSILP-HLTSFMKQSA-N -1 1 267.275 3.045 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C(C1CC1)C1CC1 ZINC000910981466 622512426 /nfs/dbraw/zinc/51/24/26/622512426.db2.gz DETMNMXOLZFVMJ-UHFFFAOYSA-N -1 1 267.275 3.045 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910982935 622513138 /nfs/dbraw/zinc/51/31/38/622513138.db2.gz MODXWLBJLVZYJI-SFYZADRCSA-N -1 1 255.264 3.045 20 0 CGADMM C[C@]1(C(=O)Nc2cc(F)cc(F)c2[O-])C[C@H]2C[C@H]2C1 ZINC000910987049 622513586 /nfs/dbraw/zinc/51/35/86/622513586.db2.gz JFUNKGMVXPBPCL-ATTMTXSRSA-N -1 1 267.275 3.045 20 0 CGADMM C[C@@]1(C(=O)Nc2cc(F)cc(F)c2[O-])CC=CCC1 ZINC000910988737 622513881 /nfs/dbraw/zinc/51/38/81/622513881.db2.gz RSDHHKNMXHFNGK-CQSZACIVSA-N -1 1 267.275 3.355 20 0 CGADMM CC[C@@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769978151 625581224 /nfs/dbraw/zinc/58/12/24/625581224.db2.gz SUSAIZWQAHSPAF-KOLCDFICSA-N -1 1 267.756 3.354 20 0 CGADMM O=C(NCc1ccsc1)c1c([O-])cccc1Cl ZINC000057309483 622870175 /nfs/dbraw/zinc/87/01/75/622870175.db2.gz GLALAMWKVBGLLA-UHFFFAOYSA-N -1 1 267.737 3.037 20 0 CGADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])sc1C ZINC000788158089 626358311 /nfs/dbraw/zinc/35/83/11/626358311.db2.gz BELPMIOZGDIFJH-UHFFFAOYSA-N -1 1 282.752 3.371 20 0 CGADMM Cc1cc(CNCc2ccc(C(=O)[O-])o2)cc2cccnc12 ZINC000756284742 626689103 /nfs/dbraw/zinc/68/91/03/626689103.db2.gz BIKRKNOZUSPBGP-UHFFFAOYSA-N -1 1 296.326 3.124 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC(CC(F)(F)F)C1 ZINC000760150522 626942407 /nfs/dbraw/zinc/94/24/07/626942407.db2.gz SYWPQPUWRUYRTC-UHFFFAOYSA-N -1 1 293.672 3.070 20 0 CGADMM CCCC(C)=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000762792654 627124431 /nfs/dbraw/zinc/12/44/31/627124431.db2.gz BVZCIYQMIQAQBV-LUAWRHEFSA-N -1 1 285.347 3.467 20 0 CGADMM C[C@H]1CCC(=CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000762792733 627124551 /nfs/dbraw/zinc/12/45/51/627124551.db2.gz DPWFPNXRZPHZSY-AWPPVZKDSA-N -1 1 297.358 3.467 20 0 CGADMM O=C(OCC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000763971932 627188569 /nfs/dbraw/zinc/18/85/69/627188569.db2.gz XAGHKXFGACLQPR-UHFFFAOYSA-N -1 1 261.104 3.266 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)CC(C)C)c1 ZINC000765553160 627259099 /nfs/dbraw/zinc/25/90/99/627259099.db2.gz XXXCYFFELCMGRZ-GFCCVEGCSA-N -1 1 292.375 3.363 20 0 CGADMM CC(C)(C(=O)[N-]O[C@H]1CCCCO1)C1CCCCC1 ZINC000766850463 627364601 /nfs/dbraw/zinc/36/46/01/627364601.db2.gz KLQFSOKSPUUSEM-ZDUSSCGKSA-N -1 1 269.385 3.167 20 0 CGADMM O=c1cc(C2CC2)nc(SC[C@@H]2CC2(Cl)Cl)[n-]1 ZINC000767088301 627381271 /nfs/dbraw/zinc/38/12/71/627381271.db2.gz JHPWUOZJWZOSKA-ZETCQYMHSA-N -1 1 291.203 3.346 20 0 CGADMM CCCCCCOCC(=O)Nc1ccc(F)cc1[O-] ZINC000768258259 627471638 /nfs/dbraw/zinc/47/16/38/627471638.db2.gz MHRVFAVIVCWMCK-UHFFFAOYSA-N -1 1 269.316 3.067 20 0 CGADMM CCS[C@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769948488 627591391 /nfs/dbraw/zinc/59/13/91/627591391.db2.gz UVTCUNXGABQGFS-JQWIXIFHSA-N -1 1 299.823 3.450 20 0 CGADMM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]Oc1ccccc1 ZINC000773464396 627886467 /nfs/dbraw/zinc/88/64/67/627886467.db2.gz CUFNPVBXXHELIQ-LBPRGKRZSA-N -1 1 273.307 3.115 20 0 CGADMM COCc1cccc(COC(=O)c2ccc([O-])cc2F)c1 ZINC000773575495 627898228 /nfs/dbraw/zinc/89/82/28/627898228.db2.gz ZEDWKYTWHAFADC-UHFFFAOYSA-N -1 1 290.290 3.035 20 0 CGADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1c([O-])cccc1Cl ZINC000775318415 628081627 /nfs/dbraw/zinc/08/16/27/628081627.db2.gz HOUCKONOPVOOAS-ONGXEEELSA-N -1 1 267.756 3.306 20 0 CGADMM CC(C)(C)c1cnc(NC([O-])=NO[C@@H]2CCCCO2)s1 ZINC000775645567 628118975 /nfs/dbraw/zinc/11/89/75/628118975.db2.gz HDJKYFSVNPMUBB-SNVBAGLBSA-N -1 1 299.396 3.020 20 0 CGADMM CC(C)(C)c1cnc(NC(=O)[N-]O[C@@H]2CCCCO2)s1 ZINC000775645567 628118978 /nfs/dbraw/zinc/11/89/78/628118978.db2.gz HDJKYFSVNPMUBB-SNVBAGLBSA-N -1 1 299.396 3.020 20 0 CGADMM O=C([N-]Oc1ccccc1F)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000874910368 634649214 /nfs/dbraw/zinc/64/92/14/634649214.db2.gz QGJUULXSAIQOAV-BDAKNGLRSA-N -1 1 291.244 3.214 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cnc(C3CCCC3)s2)S1 ZINC000874928542 634653796 /nfs/dbraw/zinc/65/37/96/634653796.db2.gz PESPAADYRLQCPF-WEVVVXLNSA-N -1 1 280.374 3.125 20 0 CGADMM CC/C(C)=C(/C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000780217814 628462851 /nfs/dbraw/zinc/46/28/51/628462851.db2.gz CYKFLAJGZMXGQJ-QXMHVHEDSA-N -1 1 290.359 3.427 20 0 CGADMM O=C([N-]c1c2nsnc2ccc1Cl)c1nccs1 ZINC000783824147 628749622 /nfs/dbraw/zinc/74/96/22/628749622.db2.gz PWHCYMNRTLJWAP-UHFFFAOYSA-N -1 1 296.764 3.054 20 0 CGADMM CCCCc1ccc(N(C)C(=O)c2cncc([O-])c2)cc1 ZINC000786279298 628921840 /nfs/dbraw/zinc/92/18/40/628921840.db2.gz BRROOUUPNQWJIT-UHFFFAOYSA-N -1 1 284.359 3.406 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cn1 ZINC000790047737 629179698 /nfs/dbraw/zinc/17/96/98/629179698.db2.gz LDUXBJBGKATBDH-UHFFFAOYSA-N -1 1 291.738 3.211 20 0 CGADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790056517 629181222 /nfs/dbraw/zinc/18/12/22/629181222.db2.gz NPPOQPIYPOEIDQ-HTQZYQBOSA-N -1 1 256.733 3.061 20 0 CGADMM O=C([N-]c1cc(C(F)(F)F)no1)c1nc(Cl)cs1 ZINC000790792156 629230807 /nfs/dbraw/zinc/23/08/07/629230807.db2.gz YEMIFHSKEMPZFR-UHFFFAOYSA-N -1 1 297.645 3.056 20 0 CGADMM CC(C)([N-]C(=O)C(F)(F)c1ccccc1F)C(F)F ZINC000792596261 629368254 /nfs/dbraw/zinc/36/82/54/629368254.db2.gz ZHJKIHBTIRDRTI-UHFFFAOYSA-N -1 1 281.224 3.077 20 0 CGADMM CCC(C)(C)OC1CN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000862717632 629424844 /nfs/dbraw/zinc/42/48/44/629424844.db2.gz PPUBTCVAPOHEHL-UHFFFAOYSA-N -1 1 297.782 3.075 20 0 CGADMM C/C(=C/C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1)C(=O)[O-] ZINC000863471539 629581577 /nfs/dbraw/zinc/58/15/77/629581577.db2.gz VDVBYJUDQHZFCV-TUOYRWMMSA-N -1 1 295.329 3.175 20 0 CGADMM C[C@@H]1CCC[C@@H](C2CN(c3cc(Cl)[n-]c(=O)n3)C2)C1 ZINC000864091699 629768035 /nfs/dbraw/zinc/76/80/35/629768035.db2.gz HMJUGIMNCQXCQV-NXEZZACHSA-N -1 1 281.787 3.098 20 0 CGADMM CCCC[C@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000800548666 630292026 /nfs/dbraw/zinc/29/20/26/630292026.db2.gz YDERLYKBWWTBKL-QMMMGPOBSA-N -1 1 256.733 3.205 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](C2CCC2)C1 ZINC000839944140 630354720 /nfs/dbraw/zinc/35/47/20/630354720.db2.gz FFRXNSRMXFAUPS-LLVKDONJSA-N -1 1 279.767 3.308 20 0 CGADMM CSCCO[N-]C(=O)[C@@H](C)c1cccc(CC(C)C)c1 ZINC000803236471 630455820 /nfs/dbraw/zinc/45/58/20/630455820.db2.gz KJDZTJLYMJWWHC-ZDUSSCGKSA-N -1 1 295.448 3.399 20 0 CGADMM CCC1=C(C(=O)Nc2ccc([O-])c(F)c2F)CCCO1 ZINC000837086570 634852185 /nfs/dbraw/zinc/85/21/85/634852185.db2.gz PEFMFQWSMFDTSF-UHFFFAOYSA-N -1 1 283.274 3.083 20 0 CGADMM Cc1nc(SCc2ccc(N(C)C)cc2)[n-]c(=O)c1C ZINC000814758047 631634617 /nfs/dbraw/zinc/63/46/17/631634617.db2.gz YDIPYVVVIUAACB-UHFFFAOYSA-N -1 1 289.404 3.157 20 0 CGADMM CCc1ccc([C@@H](C)C(=O)[N-]OCCC2CC2)cc1 ZINC000817442201 632158806 /nfs/dbraw/zinc/15/88/06/632158806.db2.gz YACNRVNBURGVOW-GFCCVEGCSA-N -1 1 261.365 3.200 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(C2CC2)oc1C1CC1 ZINC000820407916 632620510 /nfs/dbraw/zinc/62/05/10/632620510.db2.gz SONSMJPBVWZGGC-UHFFFAOYSA-N -1 1 287.319 3.024 20 0 CGADMM COc1cnc(C=Cc2ccc(C(F)(F)F)cc2)[n-]c1=O ZINC000821007381 632711625 /nfs/dbraw/zinc/71/16/25/632711625.db2.gz HRYFZQLSBNDBQK-QPJJXVBHSA-N -1 1 296.248 3.380 20 0 CGADMM CC(=CC1CCC(C)CC1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000868544216 633334488 /nfs/dbraw/zinc/33/44/88/633334488.db2.gz BRIMMVGHICODIF-CSKARUKUSA-N -1 1 277.368 3.135 20 0 CGADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000868787888 633364125 /nfs/dbraw/zinc/36/41/25/633364125.db2.gz LVBBAWLURIGAJZ-HTQZYQBOSA-N -1 1 269.291 3.291 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)OCCC(F)(F)F ZINC000869736276 633502133 /nfs/dbraw/zinc/50/21/33/633502133.db2.gz DMYDDZGRFQSHLT-UHFFFAOYSA-N -1 1 282.645 3.084 20 0 CGADMM CCC(O)(CC)C(C)(C)NC(=O)c1c([O-])cccc1Cl ZINC000829323615 633722372 /nfs/dbraw/zinc/72/23/72/633722372.db2.gz LSAKBDWZQKLNHN-UHFFFAOYSA-N -1 1 299.798 3.105 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@]2(C)CC2(Cl)Cl)n1 ZINC000829463389 633737239 /nfs/dbraw/zinc/73/72/39/633737239.db2.gz KPQNXNDBOPZDOO-JTQLQIEISA-N -1 1 293.219 3.421 20 0 CGADMM Cc1c(=O)n(C[C@H]2CCCC2(F)F)[n-]c1-c1ccccc1 ZINC000871964089 633930588 /nfs/dbraw/zinc/93/05/88/633930588.db2.gz WCBVXUABHFBBFG-DGCLKSJQSA-N -1 1 292.329 3.304 20 0 CGADMM CCc1c(C(C)C)[n-]n(C[C@H]2CCCC2(F)F)c1=O ZINC000871963689 633930848 /nfs/dbraw/zinc/93/08/48/633930848.db2.gz RNWBOXGJGSWKIP-GHMZBOCLSA-N -1 1 272.339 3.302 20 0 CGADMM CSc1ccc([O-])c(C(=O)NOC2CCCCC2)c1 ZINC000832548025 634071433 /nfs/dbraw/zinc/07/14/33/634071433.db2.gz PDAWADJWCPPRAH-UHFFFAOYSA-N -1 1 281.377 3.108 20 0 CGADMM CCc1cnccc1[C@@H](C)NCc1cc(C(=O)[O-])c(C)o1 ZINC000833673416 634124422 /nfs/dbraw/zinc/12/44/22/634124422.db2.gz KLJOKABLPMDYAQ-SNVBAGLBSA-N -1 1 288.347 3.094 20 0 CGADMM Cc1ccc(-c2noc([N-][C@@H](C)c3nccnc3C)n2)cc1 ZINC000872769338 634204185 /nfs/dbraw/zinc/20/41/85/634204185.db2.gz SEAVZLUDJPGGHB-LBPRGKRZSA-N -1 1 295.346 3.317 20 0 CGADMM C[C@@H]1CC=C(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000834821605 634248323 /nfs/dbraw/zinc/24/83/23/634248323.db2.gz DAVOWFVZFOWUGI-SNVBAGLBSA-N -1 1 279.767 3.408 20 0 CGADMM CC(C(=O)NCc1ccc([O-])c(Cl)c1)=C1CCC1 ZINC000834823087 634248575 /nfs/dbraw/zinc/24/85/75/634248575.db2.gz SJOJRRCMIVIABO-UHFFFAOYSA-N -1 1 265.740 3.162 20 0 CGADMM CC/C(C)=C\C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834822459 634248610 /nfs/dbraw/zinc/24/86/10/634248610.db2.gz OGFKYXKPUARECF-TWGQIWQCSA-N -1 1 253.729 3.018 20 0 CGADMM C/C=C(\CC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834827016 634249166 /nfs/dbraw/zinc/24/91/66/634249166.db2.gz VTPILJBEKYRQKV-XCVCLJGOSA-N -1 1 253.729 3.018 20 0 CGADMM CCOC1(C(=O)NCc2ccc([O-])c(Cl)c2)CCCC1 ZINC000834825900 634249774 /nfs/dbraw/zinc/24/97/74/634249774.db2.gz OGIZODYGPNRPBF-UHFFFAOYSA-N -1 1 297.782 3.011 20 0 CGADMM CC(C)CCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834834140 634252522 /nfs/dbraw/zinc/25/25/22/634252522.db2.gz YMTHTJRWWMZAQM-UHFFFAOYSA-N -1 1 255.745 3.098 20 0 CGADMM CC(C)CCO[C@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834834116 634252618 /nfs/dbraw/zinc/25/26/18/634252618.db2.gz XGZFKQXWDHQKMX-LLVKDONJSA-N -1 1 299.798 3.113 20 0 CGADMM CC/C=C(\C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833776 634252948 /nfs/dbraw/zinc/25/29/48/634252948.db2.gz LPQVYTVZCZZEPQ-RUDMXATFSA-N -1 1 253.729 3.018 20 0 CGADMM Cc1cc(CN(CCc2ccccc2)CC(=O)[O-])c(C)o1 ZINC000840995439 635100301 /nfs/dbraw/zinc/10/03/01/635100301.db2.gz LOWDKLPBZUTXRN-UHFFFAOYSA-N -1 1 287.359 3.026 20 0 CGADMM CCCCc1ccc(CC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000128211154 635918216 /nfs/dbraw/zinc/91/82/16/635918216.db2.gz YJGZDQNFCLRKMA-QGZVFWFLSA-N -1 1 291.391 3.146 20 0 CGADMM O=C([O-])Cc1ccccc1CN1CCc2cccc(F)c2C1 ZINC000846247909 636166480 /nfs/dbraw/zinc/16/64/80/636166480.db2.gz USWGSSVVTJNBCL-UHFFFAOYSA-N -1 1 299.345 3.011 20 0 CGADMM CS[C@@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000846348635 636177395 /nfs/dbraw/zinc/17/73/95/636177395.db2.gz KDWKERJUKJONLY-ZYHUDNBSSA-N -1 1 299.823 3.450 20 0 CGADMM COC[C@H](CC(C)(C)C)NC(=O)c1c([O-])cccc1Cl ZINC000848311599 636559488 /nfs/dbraw/zinc/55/94/88/636559488.db2.gz IUFPEJUFWRUCHG-JTQLQIEISA-N -1 1 299.798 3.227 20 0 CGADMM CSc1nc(=NOCC(C)C)cc(C(F)F)[n-]1 ZINC000848675291 636632953 /nfs/dbraw/zinc/63/29/53/636632953.db2.gz WIRXVCNNSUQSMR-UHFFFAOYSA-N -1 1 263.313 3.136 20 0 CGADMM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1ncccc1[O-] ZINC000885234549 637191072 /nfs/dbraw/zinc/19/10/72/637191072.db2.gz MVVSDANYFXHAAA-CQSZACIVSA-N -1 1 296.370 3.196 20 0 CGADMM O=C(C[C@@H]1CCCCO1)Nc1cc(F)c([O-])cc1Cl ZINC000885676141 637284286 /nfs/dbraw/zinc/28/42/86/637284286.db2.gz JWORYKGFZLFXLV-QMMMGPOBSA-N -1 1 287.718 3.082 20 0 CGADMM CC/C(C)=C(\C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266214 637471610 /nfs/dbraw/zinc/47/16/10/637471610.db2.gz CZQJGABUPXKIKP-MDZDMXLPSA-N -1 1 283.318 3.076 20 0 CGADMM O=c1c2c([n-]n1[C@H]1CCCSC1)CCCCCC2 ZINC000887299290 637793192 /nfs/dbraw/zinc/79/31/92/637793192.db2.gz VRTLJUPKSCANOA-NWDGAFQWSA-N -1 1 266.410 3.051 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](C(F)(F)F)C1 ZINC000888015763 637950382 /nfs/dbraw/zinc/95/03/82/637950382.db2.gz SELZPIZXSCKAFC-SSDOTTSWSA-N -1 1 293.672 3.070 20 0 CGADMM CCC/C=C/C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674146 638023683 /nfs/dbraw/zinc/02/36/83/638023683.db2.gz IPMQOYYBLGXBIP-SNAWJCMRSA-N -1 1 257.692 3.480 20 0 CGADMM CC(C)OCCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675772 638034733 /nfs/dbraw/zinc/03/47/33/638034733.db2.gz AKJOKKFUKGOLAU-UHFFFAOYSA-N -1 1 289.734 3.328 20 0 CGADMM COCCC(C)(C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675887 638037560 /nfs/dbraw/zinc/03/75/60/638037560.db2.gz DHTITVBADSTOED-UHFFFAOYSA-N -1 1 289.734 3.186 20 0 CGADMM Cc1ccc(N(C)C(=O)c2ccc(O)cc2[O-])cc1Cl ZINC000113067957 638149876 /nfs/dbraw/zinc/14/98/76/638149876.db2.gz KUZBQXQWLFABJD-UHFFFAOYSA-N -1 1 291.734 3.336 20 0 CGADMM O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)c1ccccc1[O-] ZINC000855553467 638210304 /nfs/dbraw/zinc/21/03/04/638210304.db2.gz VPXKHGWXAWOBJW-KRWDZBQOSA-N -1 1 297.354 3.404 20 0 CGADMM CN(C[C@@H]1CC1(C)C)C(=O)c1c([O-])cccc1Cl ZINC000856457718 638358827 /nfs/dbraw/zinc/35/88/27/638358827.db2.gz BXTSXYLQGMJJTQ-VIFPVBQESA-N -1 1 267.756 3.164 20 0 CGADMM CCCO[N-]C(=O)[C@H](C)c1cccc(CC(C)C)c1 ZINC000857546777 638516697 /nfs/dbraw/zinc/51/66/97/638516697.db2.gz IBSKIFBUUZVSRN-CYBMUJFWSA-N -1 1 263.381 3.446 20 0 CGADMM O=c1nc(N(CC2CCCCC2)C2CC2)cc(Cl)[n-]1 ZINC000858358185 638692259 /nfs/dbraw/zinc/69/22/59/638692259.db2.gz APLXSABJEYYKJT-UHFFFAOYSA-N -1 1 281.787 3.385 20 0 CGADMM C[C@@H]1CCN(c2cc(Cl)[n-]c(=O)n2)[C@@H]2CCCC[C@H]12 ZINC000858436499 638717283 /nfs/dbraw/zinc/71/72/83/638717283.db2.gz ILNUDEOPAZQBJX-GMTAPVOTSA-N -1 1 281.787 3.241 20 0 CGADMM CC1(C)CCCC[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858442892 638719811 /nfs/dbraw/zinc/71/98/11/638719811.db2.gz BVJYCMRRRMGGGV-QMMMGPOBSA-N -1 1 255.749 3.216 20 0 CGADMM CCC(CC)[C@@H]1C[C@H](Nc2cc(Cl)[n-]c(=O)n2)CCO1 ZINC000858468543 638727121 /nfs/dbraw/zinc/72/71/21/638727121.db2.gz HOZNQKYDTNYCOS-MNOVXSKESA-N -1 1 299.802 3.231 20 0 CGADMM CSCC1CCC(Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858558789 638761953 /nfs/dbraw/zinc/76/19/53/638761953.db2.gz YVJVLZALHNSVNC-UHFFFAOYSA-N -1 1 287.816 3.169 20 0 CGADMM CN(C(=O)c1ccc(C#N)c([O-])c1)C1CCCCCCC1 ZINC000187773408 640098970 /nfs/dbraw/zinc/09/89/70/640098970.db2.gz RQYXLUJEQBRDJT-UHFFFAOYSA-N -1 1 286.375 3.449 20 0 CGADMM Cc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c(C)c1 ZINC000078776031 640340498 /nfs/dbraw/zinc/34/04/98/640340498.db2.gz UPBWJVHGDXTXRE-UHFFFAOYSA-N -1 1 299.374 3.071 20 0 CGADMM CCOC(=O)c1nc2c(cc(C(F)(F)F)cc2Cl)[n-]1 ZINC001250550835 805689330 /nfs/dbraw/zinc/68/93/30/805689330.db2.gz ZQOXELHTHZESEI-UHFFFAOYSA-N -1 1 292.644 3.412 20 0 CGADMM COc1cccc2[nH]c(-c3cccc(F)c3[O-])nc21 ZINC001250681117 805755209 /nfs/dbraw/zinc/75/52/09/805755209.db2.gz QFSDRRXDLNCLTA-UHFFFAOYSA-N -1 1 258.252 3.083 20 0 CGADMM O=S(=O)([N-]c1ccccc1C1CC1)c1ccccc1 ZINC001251109575 805848728 /nfs/dbraw/zinc/84/87/28/805848728.db2.gz KOUHADZJZGXISL-UHFFFAOYSA-N -1 1 273.357 3.365 20 0 CGADMM [O-]c1ccc(-c2nnc(Cc3ccc(F)cc3)o2)c(F)c1 ZINC001251931035 805954514 /nfs/dbraw/zinc/95/45/14/805954514.db2.gz TUMAZXFSROURPW-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM [O-]c1cc(NC[C@@H](O)c2ccccc2)c(F)cc1Cl ZINC001251996945 805967622 /nfs/dbraw/zinc/96/76/22/805967622.db2.gz VFKYSLPYOGCFQN-CQSZACIVSA-N -1 1 281.714 3.330 20 0 CGADMM CCOc1ccc(Cl)c(NC(=O)c2ccc([O-])cn2)c1 ZINC001158790107 806004208 /nfs/dbraw/zinc/00/42/08/806004208.db2.gz VYHVMOCALFWGQS-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H](F)c1ccccc1 ZINC001160916525 806320653 /nfs/dbraw/zinc/32/06/53/806320653.db2.gz JTWLPPQRLLNYTP-CYBMUJFWSA-N -1 1 281.233 3.320 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cc(Cl)ccc1[O-] ZINC001162738723 806655406 /nfs/dbraw/zinc/65/54/06/806655406.db2.gz HVJKZRHANLMZJZ-JQWIXIFHSA-N -1 1 279.767 3.212 20 0 CGADMM C[C@H]1CCCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000070410733 798915893 /nfs/dbraw/zinc/91/58/93/798915893.db2.gz BPUNKNYKXZRCPB-JTQLQIEISA-N -1 1 267.756 3.450 20 0 CGADMM CC[C@H](C)C[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000164161996 799084302 /nfs/dbraw/zinc/08/43/02/799084302.db2.gz PILLEBCNRVEMRW-UWVGGRQHSA-N -1 1 253.317 3.086 20 0 CGADMM C[C@H]1C[C@H](NC(=O)c2ccc([O-])cc2F)C[C@@H](C)C1 ZINC000300419836 799204520 /nfs/dbraw/zinc/20/45/20/799204520.db2.gz SFTDMFDEUIBMML-URLYPYJESA-N -1 1 265.328 3.086 20 0 CGADMM CC(C)(C)SCC[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000394444946 799497325 /nfs/dbraw/zinc/49/73/25/799497325.db2.gz DGGQUZHAIVBODE-UHFFFAOYSA-N -1 1 293.432 3.275 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000405254935 799582649 /nfs/dbraw/zinc/58/26/49/799582649.db2.gz LRBDXBFKVWQOCZ-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM O=C([O-])[C@H]1CC12CCN(Cc1cc(F)cc(Cl)c1)CC2 ZINC000405367454 799583471 /nfs/dbraw/zinc/58/34/71/799583471.db2.gz VWPOMIBHFYZACB-CYBMUJFWSA-N -1 1 297.757 3.166 20 0 CGADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2csc(C3CC3)n2)C1 ZINC000694823205 799824674 /nfs/dbraw/zinc/82/46/74/799824674.db2.gz PQKILKCIVNXQPW-OAHLLOKOSA-N -1 1 294.420 3.097 20 0 CGADMM O=C([O-])C[C@@H]1CCCN1Cc1csc(C(F)(F)F)c1 ZINC000703282677 799921368 /nfs/dbraw/zinc/92/13/68/799921368.db2.gz CLJLCEWGJGPNBH-VIFPVBQESA-N -1 1 293.310 3.206 20 0 CGADMM O=C(C[C@@H]1CCC2(CCC2)O1)Nc1ccc([O-])c(Cl)c1 ZINC000716924420 800185825 /nfs/dbraw/zinc/18/58/25/800185825.db2.gz WTUKFODSTKXJPB-NSHDSACASA-N -1 1 295.766 3.476 20 0 CGADMM Nc1cnc2cc(-c3cc(F)c([O-])c(F)c3)ccc2c1 ZINC001244096956 803184965 /nfs/dbraw/zinc/18/49/65/803184965.db2.gz LKLDMHLHVRCAHX-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM COc1cc(C(=O)[O-])cc(-c2cc3nc[nH]c3c(C)c2)c1 ZINC001244176330 803225965 /nfs/dbraw/zinc/22/59/65/803225965.db2.gz DVGWQBAHALTHSO-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM Cc1cc(C)c(-c2ccc(OC(F)(F)F)cc2[O-])nn1 ZINC001244463049 803381723 /nfs/dbraw/zinc/38/17/23/803381723.db2.gz CZZSRBFJLKHGDE-UHFFFAOYSA-N -1 1 284.237 3.365 20 0 CGADMM Cc1ccnnc1-c1ccc(OC(F)(F)F)cc1[O-] ZINC001244463415 803381896 /nfs/dbraw/zinc/38/18/96/803381896.db2.gz GWOAKGFVOIUXML-UHFFFAOYSA-N -1 1 270.210 3.056 20 0 CGADMM COC(=O)Cc1ccc(-c2cc(C)c([O-])c(Cl)c2)nc1 ZINC001244531436 803423106 /nfs/dbraw/zinc/42/31/06/803423106.db2.gz KAWDISKFSAJBIU-UHFFFAOYSA-N -1 1 291.734 3.132 20 0 CGADMM Cc1c[nH]c2ncnc(-c3c(Cl)ccc([O-])c3F)c12 ZINC001244538011 803425173 /nfs/dbraw/zinc/42/51/73/803425173.db2.gz JUMDEBGZPVYRGW-UHFFFAOYSA-N -1 1 277.686 3.383 20 0 CGADMM CC(C)Nc1ccnc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244537418 803425639 /nfs/dbraw/zinc/42/56/39/803425639.db2.gz CVHLYMFRAAROID-UHFFFAOYSA-N -1 1 281.718 3.462 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncnc3ncccc32)c1F ZINC001244538439 803426882 /nfs/dbraw/zinc/42/68/82/803426882.db2.gz NRFHSLPPESDZAU-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM O=c1ccc(-c2c(Cl)ccc([O-])c2F)nn1C1CCC1 ZINC001244543227 803429383 /nfs/dbraw/zinc/42/93/83/803429383.db2.gz SXEDMCDVBSMVSJ-UHFFFAOYSA-N -1 1 294.713 3.133 20 0 CGADMM Cc1ncc(-c2c(Cl)ccc([O-])c2F)c(C)n1 ZINC001244542796 803429456 /nfs/dbraw/zinc/42/94/56/803429456.db2.gz NJXAZIGLPJZQJN-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM COC(=O)c1ccc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244541381 803429817 /nfs/dbraw/zinc/42/98/17/803429817.db2.gz PAXGSRIHXRVMPF-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM O=c1c(-c2c(Cl)ccc([O-])c2F)cccn1CC1CC1 ZINC001244541486 803430005 /nfs/dbraw/zinc/43/00/05/803430005.db2.gz CRWTXLYGGNFXMG-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM O=C1NCc2cc(-c3c(Cl)ccc([O-])c3F)cc(F)c21 ZINC001244543796 803430316 /nfs/dbraw/zinc/43/03/16/803430316.db2.gz XDGOJCDBSGUHLH-UHFFFAOYSA-N -1 1 295.672 3.234 20 0 CGADMM Cc1cnc(-c2ccc(Cl)c([O-])c2F)cc1N ZINC001244630315 803472872 /nfs/dbraw/zinc/47/28/72/803472872.db2.gz IMEGMSMFYZCNMD-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2cc(C(C)(C)F)on2)no1 ZINC001135195045 803577420 /nfs/dbraw/zinc/57/74/20/803577420.db2.gz DPVZPKPLJFTVKD-UHFFFAOYSA-N -1 1 281.287 3.243 20 0 CGADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(C2=CCCOC2)cc1 ZINC001245160851 803655772 /nfs/dbraw/zinc/65/57/72/803655772.db2.gz UHEIEELBDYHBDG-JTQLQIEISA-N -1 1 299.292 3.230 20 0 CGADMM Cc1nc2ccc(-c3cc(CC(=O)[O-])ccc3F)cc2[nH]1 ZINC001245316180 803698458 /nfs/dbraw/zinc/69/84/58/803698458.db2.gz IPSIZOLJBDSPMH-UHFFFAOYSA-N -1 1 284.290 3.305 20 0 CGADMM O=C(Nc1cccc([O-])c1F)c1c[nH]c2cc(=O)ccc-2c1 ZINC001137580597 803741467 /nfs/dbraw/zinc/74/14/67/803741467.db2.gz QCMPXNOOBDNLJO-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM COc1nccc(Nc2cc([O-])c(F)c(F)c2)c1Cl ZINC001211952754 814961079 /nfs/dbraw/zinc/96/10/79/814961079.db2.gz UIWKRKROMOVZRU-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM [O-]c1cccc(F)c1-c1ccc(-n2cccc2)cn1 ZINC001245653906 803884992 /nfs/dbraw/zinc/88/49/92/803884992.db2.gz PTSZFRSXWVVUGE-UHFFFAOYSA-N -1 1 254.264 3.384 20 0 CGADMM CC(C)C(CNC(=O)c1cccc([O-])c1F)C(C)C ZINC001138349457 803901416 /nfs/dbraw/zinc/90/14/16/803901416.db2.gz UHEGOHMDGJNLIR-UHFFFAOYSA-N -1 1 267.344 3.189 20 0 CGADMM Cc1nc2ccc(-c3c(F)ccc([O-])c3Cl)nc2[nH]1 ZINC001245828655 803983426 /nfs/dbraw/zinc/98/34/26/803983426.db2.gz XEEHSEKFRODISJ-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM [O-]c1ccc(F)c(-c2cc3[nH]ccc3nn2)c1Cl ZINC001245830347 803984760 /nfs/dbraw/zinc/98/47/60/803984760.db2.gz KZNHTPSYBULIRQ-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM [O-]c1ccc(F)c(-c2cccc3n[nH]nc32)c1Cl ZINC001245832112 803986923 /nfs/dbraw/zinc/98/69/23/803986923.db2.gz LZEGKVJBWJMUND-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM COc1ccc(C(=S)n2[n-]c(C3CCC3)cc2=O)cc1 ZINC001245924545 804053254 /nfs/dbraw/zinc/05/32/54/804053254.db2.gz VYSNOHOLNFTKDM-UHFFFAOYSA-N -1 1 288.372 3.089 20 0 CGADMM CCCCc1cc(=O)n(-c2ccc(F)c(OC)c2)[n-]1 ZINC001245926467 804055196 /nfs/dbraw/zinc/05/51/96/804055196.db2.gz BFPCXVWBVXFVKI-UHFFFAOYSA-N -1 1 264.300 3.068 20 0 CGADMM Cc1cc(=O)n(-c2ccc3c(c2)Cc2ccccc2-3)[n-]1 ZINC001245928122 804056334 /nfs/dbraw/zinc/05/63/34/804056334.db2.gz MXSOLPJOEPDRBK-UHFFFAOYSA-N -1 1 262.312 3.458 20 0 CGADMM CC(C)(C)Cc1cc(=O)n(-c2ccc3n[nH]cc3c2)[n-]1 ZINC001245933593 804062122 /nfs/dbraw/zinc/06/21/22/804062122.db2.gz WDOXRRUIXRQJJK-UHFFFAOYSA-N -1 1 270.336 3.043 20 0 CGADMM Cc1cccc2c1CN(Cc1ccccc1C(=O)[O-])C2 ZINC001140497974 804448832 /nfs/dbraw/zinc/44/88/32/804448832.db2.gz BKYRSSXPDRTPPD-UHFFFAOYSA-N -1 1 267.328 3.209 20 0 CGADMM C[C@@H]1CCN(Cc2cc(F)c([O-])c(F)c2)CC1(F)F ZINC001140987943 804561844 /nfs/dbraw/zinc/56/18/44/804561844.db2.gz HYXHKJNYAMRZLS-MRVPVSSYSA-N -1 1 277.261 3.148 20 0 CGADMM CSCC1CCC(NC(=O)c2ccc(F)c([O-])c2)CC1 ZINC001141392750 804637395 /nfs/dbraw/zinc/63/73/95/804637395.db2.gz DVWXBGMDKMGGLZ-UHFFFAOYSA-N -1 1 297.395 3.183 20 0 CGADMM Cc1csc(CCC(=O)Nc2cc([O-])c(F)cc2F)n1 ZINC001141833580 804671412 /nfs/dbraw/zinc/67/14/12/804671412.db2.gz IAIKPUZZTKBWAO-UHFFFAOYSA-N -1 1 298.314 3.007 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2cccc([O-])c2F)C1 ZINC001142281204 804712312 /nfs/dbraw/zinc/71/23/12/804712312.db2.gz PCVRKQZOFSROBG-GHMZBOCLSA-N -1 1 265.328 3.087 20 0 CGADMM C[C@H]1CCC[C@H](CNC(=O)c2cccc([O-])c2F)C1 ZINC001142281206 804712890 /nfs/dbraw/zinc/71/28/90/804712890.db2.gz PCVRKQZOFSROBG-QWRGUYRKSA-N -1 1 265.328 3.087 20 0 CGADMM C[C@@H]1CC[C@H](CNC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001248400041 804928766 /nfs/dbraw/zinc/92/87/66/804928766.db2.gz YFJYPEWRQANJFY-MNOVXSKESA-N -1 1 296.798 3.281 20 0 CGADMM [O-]c1cc(F)c(CN2CCc3cc(F)ccc3C2)c(F)c1 ZINC001144561970 805005738 /nfs/dbraw/zinc/00/57/38/805005738.db2.gz RXPHKPNTUYTMMT-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM [O-]c1cc(F)c(CN2CCCCC(F)(F)C2)cc1F ZINC001144646839 805021828 /nfs/dbraw/zinc/02/18/28/805021828.db2.gz MPLRXOICRDCYJP-UHFFFAOYSA-N -1 1 277.261 3.292 20 0 CGADMM CC[C@H]1CCCCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001147331579 805122317 /nfs/dbraw/zinc/12/23/17/805122317.db2.gz MNVBFBGBVVRXKE-LBPRGKRZSA-N -1 1 265.328 3.326 20 0 CGADMM COc1c(C)cc(Cl)cc1NC(=O)c1cncc([O-])c1 ZINC001147937237 805157097 /nfs/dbraw/zinc/15/70/97/805157097.db2.gz OJMAENWSXYWXIB-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1C[C@@H]2C[C@@H]2C1 ZINC001148867272 805212542 /nfs/dbraw/zinc/21/25/42/805212542.db2.gz NUWRAWXVPRNPGW-OKILXGFUSA-N -1 1 279.339 3.151 20 0 CGADMM Nc1ccc(Nc2ccnc(Cl)c2[O-])c(Cl)c1 ZINC001249730754 805228190 /nfs/dbraw/zinc/22/81/90/805228190.db2.gz JABUCQLATGUFHT-UHFFFAOYSA-N -1 1 270.119 3.420 20 0 CGADMM CCC(CC)CNC(=O)c1ccc2cccnc2c1[O-] ZINC001149315105 805228745 /nfs/dbraw/zinc/22/87/45/805228745.db2.gz VJRREYMWUPWCBD-UHFFFAOYSA-N -1 1 272.348 3.106 20 0 CGADMM CC[C@@H]1CCCCN1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249775655 805241542 /nfs/dbraw/zinc/24/15/42/805241542.db2.gz DLEJLDUKAZCTBQ-LLVKDONJSA-N -1 1 283.318 3.428 20 0 CGADMM COc1ccccc1C(=O)Cc1cc(F)cc(F)c1[O-] ZINC001249891186 805282386 /nfs/dbraw/zinc/28/23/86/805282386.db2.gz HBFUABJDFJGDEB-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM C[C@H](C1CC1)N(C(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001151725646 805310353 /nfs/dbraw/zinc/31/03/53/805310353.db2.gz KCPNDAIPDFSHKT-GFCCVEGCSA-N -1 1 282.343 3.233 20 0 CGADMM COc1cc(C)sc1C(=O)Nc1cccc(F)c1[O-] ZINC001151779822 805312558 /nfs/dbraw/zinc/31/25/58/805312558.db2.gz OAMZGECNQCVRJH-UHFFFAOYSA-N -1 1 281.308 3.162 20 0 CGADMM Cc1cnn(CC2CC2)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249961503 805328969 /nfs/dbraw/zinc/32/89/69/805328969.db2.gz RRUULEIEWJWAAF-UHFFFAOYSA-N -1 1 297.280 3.468 20 0 CGADMM [O-]c1cc(Nc2ncc(O)cc2Cl)c(F)c(F)c1F ZINC001249961221 805329721 /nfs/dbraw/zinc/32/97/21/805329721.db2.gz LHCTYWVBNOINNM-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM [O-]c1cc(Nc2ccc(O)c(F)c2)c(F)c(F)c1F ZINC001249962777 805330158 /nfs/dbraw/zinc/33/01/58/805330158.db2.gz NUPKZURVUAYLNG-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM COc1cc(Nc2cc([O-])c(F)c(F)c2F)ccc1O ZINC001249963675 805330541 /nfs/dbraw/zinc/33/05/41/805330541.db2.gz RRITYRWPIIODLO-UHFFFAOYSA-N -1 1 285.221 3.267 20 0 CGADMM Cc1ccc(CO)c(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249966714 805332659 /nfs/dbraw/zinc/33/26/59/805332659.db2.gz KWGYXOJVZGVHOV-UHFFFAOYSA-N -1 1 283.249 3.354 20 0 CGADMM [O-]c1cc(Nc2ccc3c(c2)CCO3)c(F)c(F)c1F ZINC001249964165 805332899 /nfs/dbraw/zinc/33/28/99/805332899.db2.gz ZUNXAXPJGQVTPC-UHFFFAOYSA-N -1 1 281.233 3.488 20 0 CGADMM O=C1OCc2cccc(Nc3cc([O-])c(F)c(F)c3F)c21 ZINC001249965575 805333541 /nfs/dbraw/zinc/33/35/41/805333541.db2.gz AVZZAZFZXAKCRH-UHFFFAOYSA-N -1 1 295.216 3.224 20 0 CGADMM Cn1cnc2c1cccc2Nc1cc([O-])c(F)c(F)c1F ZINC001249966137 805333557 /nfs/dbraw/zinc/33/35/57/805333557.db2.gz AVLWKROLNVQRRZ-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM Cc1cccc(C)c1NC(=O)Cc1c(F)cc([O-])cc1F ZINC001250004505 805358986 /nfs/dbraw/zinc/35/89/86/805358986.db2.gz GLBSZGPFTWKYQP-UHFFFAOYSA-N -1 1 291.297 3.468 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(F)cn2)cc1Cl ZINC001250017729 805369478 /nfs/dbraw/zinc/36/94/78/805369478.db2.gz HDJCTAKGJHVEKG-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM [O-]c1cc(F)c(Nc2cncnc2Cl)cc1Cl ZINC001250020026 805370046 /nfs/dbraw/zinc/37/00/46/805370046.db2.gz BDRJTUGLLHWXOT-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM O=C(CCc1c(F)cc([O-])cc1F)c1ccccc1 ZINC001250022979 805373023 /nfs/dbraw/zinc/37/30/23/805373023.db2.gz JPVIFOKOBHFWBD-UHFFFAOYSA-N -1 1 262.255 3.486 20 0 CGADMM CSc1cc(Nc2cc(Cl)c([O-])cc2F)n(C)n1 ZINC001250023612 805374841 /nfs/dbraw/zinc/37/48/41/805374841.db2.gz RGJHTBZPXTYSFZ-UHFFFAOYSA-N -1 1 287.747 3.384 20 0 CGADMM COc1ccc(CO)cc1Nc1cc(Cl)c([O-])cc1F ZINC001250026912 805377948 /nfs/dbraw/zinc/37/79/48/805377948.db2.gz RQDFPAIQKAGFQV-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2cccnc2n1 ZINC001153461808 805398113 /nfs/dbraw/zinc/39/81/13/805398113.db2.gz RBEGWAQAAYQINS-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM CC(C)[C@@H]1COCCN1C(=O)c1c([O-])ccc2ccccc21 ZINC001153505798 805399508 /nfs/dbraw/zinc/39/95/08/805399508.db2.gz MCSWPAYDTUZJJS-HNNXBMFYSA-N -1 1 299.370 3.042 20 0 CGADMM COC[C@@H]1CCCCN1C(=O)c1c([O-])ccc2ccccc21 ZINC001153499577 805399679 /nfs/dbraw/zinc/39/96/79/805399679.db2.gz YGLJPFSNOIUYJI-AWEZNQCLSA-N -1 1 299.370 3.187 20 0 CGADMM Cc1cnc(NC(=O)c2c([O-])ccc3ccccc32)nc1C ZINC001153497188 805400518 /nfs/dbraw/zinc/40/05/18/805400518.db2.gz CKYSDECZWGVNSJ-UHFFFAOYSA-N -1 1 293.326 3.205 20 0 CGADMM Cc1ncc(CNC(=O)c2c([O-])ccc3ccccc32)s1 ZINC001153498444 805400652 /nfs/dbraw/zinc/40/06/52/805400652.db2.gz RFTIIZKUACDCMW-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM Cc1cc(N)c2ccnc-2n1-c1ccc(Cl)c([O-])c1 ZINC001212590255 815078843 /nfs/dbraw/zinc/07/88/43/815078843.db2.gz CRDMLVGGXQYGKF-UHFFFAOYSA-N -1 1 273.723 3.227 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N[C@H]3CC=CCC3)cc2c1 ZINC001154755858 805483551 /nfs/dbraw/zinc/48/35/51/805483551.db2.gz CONCPTRGSAVQCH-AWEZNQCLSA-N -1 1 297.354 3.393 20 0 CGADMM Nc1cc(F)cnc1Nc1c(F)ccc([O-])c1Cl ZINC001250228484 805504740 /nfs/dbraw/zinc/50/47/40/805504740.db2.gz CHMJCMCLMLSDGR-UHFFFAOYSA-N -1 1 271.654 3.045 20 0 CGADMM COC(=O)c1ccncc1Nc1c(F)ccc([O-])c1Cl ZINC001250228853 805505446 /nfs/dbraw/zinc/50/54/46/805505446.db2.gz NNIIHHBUQWUBOD-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM COc1nccc(Nc2c(F)ccc([O-])c2Cl)c1F ZINC001250234563 805509357 /nfs/dbraw/zinc/50/93/57/805509357.db2.gz RZNBWGKVHHHVME-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM Nc1ccc2cnn(-c3c(F)ccc([O-])c3Cl)c2c1 ZINC001250234753 805509799 /nfs/dbraw/zinc/50/97/99/805509799.db2.gz WVRLGEYBGIJQLM-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM COc1ccc(Cc2cc(F)c([O-])cc2F)cc1 ZINC001250285790 805542305 /nfs/dbraw/zinc/54/23/05/805542305.db2.gz RZUIHJZVEWKYJU-UHFFFAOYSA-N -1 1 250.244 3.270 20 0 CGADMM CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257438509 807157157 /nfs/dbraw/zinc/15/71/57/807157157.db2.gz TVJMSTDEWTZIGX-UHFFFAOYSA-N -1 1 288.221 3.132 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cccnn1 ZINC001167444345 807193864 /nfs/dbraw/zinc/19/38/64/807193864.db2.gz AOHRLPSBGVLEDX-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM CC/C=C/[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257780418 807220800 /nfs/dbraw/zinc/22/08/00/807220800.db2.gz OPQBPKUCIJTFMG-XVNBXDOJSA-N -1 1 280.176 3.195 20 0 CGADMM CC(C)(C)Cc1nnc(-c2cc([O-])cnc2Cl)o1 ZINC001257884719 807237615 /nfs/dbraw/zinc/23/76/15/807237615.db2.gz BKIZDSNMBOOMKL-UHFFFAOYSA-N -1 1 267.716 3.079 20 0 CGADMM O=S(=O)([N-]c1cccc(C2CCC2)n1)C1CCCCC1 ZINC001259810051 807689085 /nfs/dbraw/zinc/68/90/85/807689085.db2.gz SIZKSYZKBODWFV-UHFFFAOYSA-N -1 1 294.420 3.424 20 0 CGADMM CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260196079 807696315 /nfs/dbraw/zinc/69/63/15/807696315.db2.gz QZWOXVHPEPGQKQ-UHFFFAOYSA-N -1 1 297.754 3.085 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1cc(F)ccc1C(F)(F)F ZINC001260739235 807702066 /nfs/dbraw/zinc/70/20/66/807702066.db2.gz GJCVTVFMOAELNS-SSDOTTSWSA-N -1 1 299.289 3.385 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1cc(Cl)ccc1C(C)=O ZINC001260742115 807704448 /nfs/dbraw/zinc/70/44/48/807704448.db2.gz YKNNDIHEWZGNKM-QMMMGPOBSA-N -1 1 289.784 3.083 20 0 CGADMM CO[C@@H]1CC=C(Nc2cc([O-])c(F)c(F)c2)CC1 ZINC001212881868 815173798 /nfs/dbraw/zinc/17/37/98/815173798.db2.gz NAJAPNUTVRQULC-SNVBAGLBSA-N -1 1 255.264 3.165 20 0 CGADMM CCN(CC)c1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1 ZINC001212970019 815192383 /nfs/dbraw/zinc/19/23/83/815192383.db2.gz PWBSEEQNTKHIHQ-UHFFFAOYSA-N -1 1 296.374 3.160 20 0 CGADMM CC(C)(C)c1nc([N-]c2ccnc(OCC3CC3)c2)no1 ZINC001213014418 815199722 /nfs/dbraw/zinc/19/97/22/815199722.db2.gz SAKOERYXZHPCJN-UHFFFAOYSA-N -1 1 288.351 3.295 20 0 CGADMM COc1ccc(Nc2cc(F)c([O-])cc2F)cc1OC ZINC001173888275 808743301 /nfs/dbraw/zinc/74/33/01/808743301.db2.gz UHRIUBVEPDHGOQ-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM CC(C)c1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1 ZINC001173893618 808746912 /nfs/dbraw/zinc/74/69/12/808746912.db2.gz KFOCTTOPCFXGIS-UHFFFAOYSA-N -1 1 267.332 3.437 20 0 CGADMM NC(=O)c1ccccc1Nc1cc([O-])c(Cl)cc1F ZINC001173981874 808803582 /nfs/dbraw/zinc/80/35/82/808803582.db2.gz GACXDLZCJOBOKF-UHFFFAOYSA-N -1 1 280.686 3.027 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc2n[nH]cc2c1 ZINC001174276040 808922155 /nfs/dbraw/zinc/92/21/55/808922155.db2.gz LRWOKXABYJKACV-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2ccc(N)c(C)c2)c(C)s1 ZINC001174422394 809013046 /nfs/dbraw/zinc/01/30/46/809013046.db2.gz UEAMSBQQKGQELN-UHFFFAOYSA-N -1 1 296.417 3.056 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(N)c2)c(C)s1 ZINC001174421295 809013081 /nfs/dbraw/zinc/01/30/81/809013081.db2.gz CCKXMZFEZPTTHA-UHFFFAOYSA-N -1 1 296.417 3.056 20 0 CGADMM CCOc1ncccc1Nc1cc([O-])c(F)c(F)c1 ZINC001174457689 809021718 /nfs/dbraw/zinc/02/17/18/809021718.db2.gz MVHGSDVHRIUCRX-UHFFFAOYSA-N -1 1 266.247 3.208 20 0 CGADMM [O-]c1cc(Nc2cnn([C@@H]3CCCCO3)c2)cc(F)c1F ZINC001174611259 809102574 /nfs/dbraw/zinc/10/25/74/809102574.db2.gz MZULJEGDSBQXHB-ZDUSSCGKSA-N -1 1 295.289 3.310 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(O)c(F)c1 ZINC001174732121 809144559 /nfs/dbraw/zinc/14/45/59/809144559.db2.gz RDUOWPCVVBDXAM-UHFFFAOYSA-N -1 1 287.246 3.087 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1cccc2cccnc21 ZINC001174856233 809178725 /nfs/dbraw/zinc/17/87/25/809178725.db2.gz DYWDSIUVZUKWRE-UHFFFAOYSA-N -1 1 283.287 3.143 20 0 CGADMM [O-]c1c(F)cc(Nc2cccc3c2OCC[C@H]3O)cc1F ZINC001213386671 815275319 /nfs/dbraw/zinc/27/53/19/815275319.db2.gz OCBXWUCTKKGQHV-CYBMUJFWSA-N -1 1 293.269 3.230 20 0 CGADMM CCOc1cccc(F)c1[N-]c1nc(C)ns1 ZINC001175221364 809312847 /nfs/dbraw/zinc/31/28/47/809312847.db2.gz DZFZFWAVIWQOSF-UHFFFAOYSA-N -1 1 253.302 3.128 20 0 CGADMM CC[C@@H]1CCC[C@@H](NC(=O)c2cc(C)cc(C=O)c2[O-])C1 ZINC001293706141 809453120 /nfs/dbraw/zinc/45/31/20/809453120.db2.gz AFQZVYJGDJDSKW-TZMCWYRMSA-N -1 1 289.375 3.212 20 0 CGADMM [O-]c1cc(Nc2ccc(CO)cc2)c(F)cc1Cl ZINC001175567695 809453603 /nfs/dbraw/zinc/45/36/03/809453603.db2.gz OZJKCYPLLFFHER-UHFFFAOYSA-N -1 1 267.687 3.421 20 0 CGADMM CC(C)(C)c1nsc([N-]c2cccc3c[nH]nc32)n1 ZINC001175636375 809482694 /nfs/dbraw/zinc/48/26/94/809482694.db2.gz WILVAPYXNFDXCB-UHFFFAOYSA-N -1 1 273.365 3.456 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cccc2c[nH]nc21 ZINC001175640112 809485537 /nfs/dbraw/zinc/48/55/37/809485537.db2.gz HRHODBYEDPKLEG-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc([O-])cn2)C1 ZINC001297682006 809521170 /nfs/dbraw/zinc/52/11/70/809521170.db2.gz BEJZMNHBEHXNOR-DYVFJYSZSA-N -1 1 296.370 3.401 20 0 CGADMM C[C@H](CC(=O)Nc1ccc([O-])c(F)c1F)n1cccc1 ZINC001297821590 809523489 /nfs/dbraw/zinc/52/34/89/809523489.db2.gz WROUKOSCXKUAMY-SECBINFHSA-N -1 1 280.274 3.062 20 0 CGADMM CCc1ccccc1CC(=O)Nc1ccc([O-])c(F)c1F ZINC001297819955 809524033 /nfs/dbraw/zinc/52/40/33/809524033.db2.gz JSGJQGOZPSXHNP-UHFFFAOYSA-N -1 1 291.297 3.414 20 0 CGADMM COCCOc1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001175791149 809543610 /nfs/dbraw/zinc/54/36/10/809543610.db2.gz YMJVXHCLVWMXLZ-UHFFFAOYSA-N -1 1 295.285 3.439 20 0 CGADMM CCC1(c2ccccc2)CN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001299159251 809544825 /nfs/dbraw/zinc/54/48/25/809544825.db2.gz SIUVUHFRNUWDKK-UHFFFAOYSA-N -1 1 299.345 3.335 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1coc(-c2ccccc2)n1 ZINC001302487802 809595538 /nfs/dbraw/zinc/59/55/38/809595538.db2.gz ZNVIWAMKCKCWNJ-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM Cc1noc(C)c1[N-]c1nc(C)c(Br)c(C)n1 ZINC001176175309 809639670 /nfs/dbraw/zinc/63/96/70/809639670.db2.gz APUKRBVPQFUVAC-UHFFFAOYSA-N -1 1 297.156 3.204 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cnc3c(c2)COCC3)c1F ZINC001176662166 809737298 /nfs/dbraw/zinc/73/72/98/809737298.db2.gz HXXCWWXIHCNWEU-UHFFFAOYSA-N -1 1 296.248 3.021 20 0 CGADMM Cc1cccc(Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176662216 809737466 /nfs/dbraw/zinc/73/74/66/809737466.db2.gz KIROUNSDQCANFP-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM COc1nccc(C)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176664454 809738699 /nfs/dbraw/zinc/73/86/99/809738699.db2.gz ZZBJHHUWSSKZLC-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cccnc1N1CCCC1 ZINC001176750745 809758266 /nfs/dbraw/zinc/75/82/66/809758266.db2.gz KWDHAVLOWXGWHH-UHFFFAOYSA-N -1 1 291.301 3.409 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cccnc1Cl ZINC001176987646 809773652 /nfs/dbraw/zinc/77/36/52/809773652.db2.gz AKIALEULTKVGOE-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001178561281 809876523 /nfs/dbraw/zinc/87/65/23/809876523.db2.gz KIOPCDMDCVYXEK-BQBZGAKWSA-N -1 1 259.227 3.006 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1)Nc1ccc(F)cc1[O-] ZINC001185088893 810234394 /nfs/dbraw/zinc/23/43/94/810234394.db2.gz BGONTKSQYLYTTE-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM Cc1ccc(CNC(=O)Nc2cc(Cl)ncc2[O-])cc1 ZINC001185369119 810259164 /nfs/dbraw/zinc/25/91/64/810259164.db2.gz NAUYUYIJGINITA-UHFFFAOYSA-N -1 1 291.738 3.071 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1)Nc1ccc(F)cc1[O-] ZINC001187571460 810405926 /nfs/dbraw/zinc/40/59/26/810405926.db2.gz OEEHWSMSUKZBOO-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM O=S(=O)([N-]c1ncccc1-c1ccccc1)C1CCC1 ZINC001188105453 810454328 /nfs/dbraw/zinc/45/43/28/810454328.db2.gz WDNKEOLPWHMAIS-UHFFFAOYSA-N -1 1 288.372 3.043 20 0 CGADMM Cc1cccc(C2CC2)c1[N-]S(=O)(=O)c1ccncc1 ZINC001190903370 810655221 /nfs/dbraw/zinc/65/52/21/810655221.db2.gz DXWFHPUJVBFRNH-UHFFFAOYSA-N -1 1 288.372 3.068 20 0 CGADMM CC[C@H](C)NC(=O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191511185 810721494 /nfs/dbraw/zinc/72/14/94/810721494.db2.gz YPJASGHCYDZTNC-LBPRGKRZSA-N -1 1 297.354 3.152 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2[O-])CC1 ZINC001191816026 810745731 /nfs/dbraw/zinc/74/57/31/810745731.db2.gz XJHYCPVTTRYOBP-HOMQSWHASA-N -1 1 266.316 3.232 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc([O-])cc(F)c1F ZINC001192651719 810813180 /nfs/dbraw/zinc/81/31/80/810813180.db2.gz KRAHOMSZCNPNIY-RKDXNWHRSA-N -1 1 269.291 3.074 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])OC1CCCC1 ZINC001193567365 810911253 /nfs/dbraw/zinc/91/12/53/810911253.db2.gz QPASNCBGJPLNRD-UHFFFAOYSA-N -1 1 257.236 3.162 20 0 CGADMM Cc1ccc(Nc2cc([O-])c(F)c(F)c2)c(CO)c1 ZINC001214462395 815413785 /nfs/dbraw/zinc/41/37/85/815413785.db2.gz NNAQVQRHIBRIGE-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM [O-]c1c(F)cc(Nc2ncccc2O)cc1Cl ZINC001214480215 815415227 /nfs/dbraw/zinc/41/52/27/815415227.db2.gz PLRKNXRKWQGWQO-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM COC(=O)c1cccnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214480715 815416095 /nfs/dbraw/zinc/41/60/95/815416095.db2.gz ZSQMBWSKWWKQEY-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM [O-]c1c(F)cc(Nc2ccc(O)cc2O)cc1Cl ZINC001214486608 815416275 /nfs/dbraw/zinc/41/62/75/815416275.db2.gz PFPHVUXHCUMXGM-UHFFFAOYSA-N -1 1 269.659 3.340 20 0 CGADMM Cc1ncc(Nc2cc(F)c([O-])c(Cl)c2)nc1C ZINC001214482888 815416552 /nfs/dbraw/zinc/41/65/52/815416552.db2.gz TYVRYHXAKWWOKO-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM NC(=O)c1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214486415 815416704 /nfs/dbraw/zinc/41/67/04/815416704.db2.gz GKCNXFXDMDHINZ-UHFFFAOYSA-N -1 1 280.686 3.027 20 0 CGADMM COC(=O)c1cccc(Nc2cc(F)c([O-])cc2F)c1F ZINC001214583049 815427405 /nfs/dbraw/zinc/42/74/05/815427405.db2.gz LGVDKGBYLURDBM-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccccc1C(F)(F)F ZINC001195449083 811257061 /nfs/dbraw/zinc/25/70/61/811257061.db2.gz DBBWBASAIPDJPK-UHFFFAOYSA-N -1 1 292.282 3.148 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cccc2c1CCCC2 ZINC001195486944 811260320 /nfs/dbraw/zinc/26/03/20/811260320.db2.gz OIAMZJBKLTZWET-UHFFFAOYSA-N -1 1 278.377 3.008 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(F)c2ccccc12 ZINC001195493142 811261159 /nfs/dbraw/zinc/26/11/59/811261159.db2.gz WUUQUXUMKJKQBO-UHFFFAOYSA-N -1 1 292.335 3.422 20 0 CGADMM O=S(=O)([N-]c1ccccc1)c1ccc2occc2c1 ZINC001198816881 811545800 /nfs/dbraw/zinc/54/58/00/811545800.db2.gz QNCITVLZAOFGEN-UHFFFAOYSA-N -1 1 273.313 3.234 20 0 CGADMM [O-]c1cc(NC(=S)Nc2cccnc2)c(F)cc1Cl ZINC001199898220 811605751 /nfs/dbraw/zinc/60/57/51/811605751.db2.gz BNVPNDIZQDHLGG-UHFFFAOYSA-N -1 1 297.742 3.389 20 0 CGADMM CC(C)(C)c1nsc([N-]c2ccc(CO)c(F)c2F)n1 ZINC001215024728 815476404 /nfs/dbraw/zinc/47/64/04/815476404.db2.gz PWGVQWZSMYKREN-UHFFFAOYSA-N -1 1 299.346 3.350 20 0 CGADMM Cc1cccc(NC(=O)Nc2c([O-])cccc2F)c1 ZINC001202315448 812062636 /nfs/dbraw/zinc/06/26/36/812062636.db2.gz GYRYDELLIBFWLL-UHFFFAOYSA-N -1 1 260.268 3.484 20 0 CGADMM Cc1cc(O)cc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001215517376 815527960 /nfs/dbraw/zinc/52/79/60/815527960.db2.gz FOQIXPGJSMOZQT-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM Cc1cc(N)c(F)cc1Nc1cc(F)c([O-])cc1F ZINC001215575684 815538633 /nfs/dbraw/zinc/53/86/33/815538633.db2.gz CNQDGBQPFIRSHE-UHFFFAOYSA-N -1 1 268.238 3.444 20 0 CGADMM CC(C)c1nnc(Nc2ccc(Cl)c(C(=O)[O-])c2F)o1 ZINC001215694705 815559768 /nfs/dbraw/zinc/55/97/68/815559768.db2.gz HWUYKKROSSCODE-UHFFFAOYSA-N -1 1 299.689 3.427 20 0 CGADMM [O-]c1ccc(CN2CCCC[C@H]2c2cc[nH]n2)c(F)c1F ZINC001205756249 813067986 /nfs/dbraw/zinc/06/79/86/813067986.db2.gz UTLCWCQVNRRKJC-LBPRGKRZSA-N -1 1 293.317 3.121 20 0 CGADMM CCc1cc(-c2ccc(-c3nnn[n-]3)nc2)ccc1Cl ZINC001205807574 813089258 /nfs/dbraw/zinc/08/92/58/813089258.db2.gz IFGNIRWBWRYEKE-UHFFFAOYSA-N -1 1 285.738 3.145 20 0 CGADMM CCc1cc(-c2ccc(-c3nn[n-]n3)nc2)ccc1Cl ZINC001205807574 813089266 /nfs/dbraw/zinc/08/92/66/813089266.db2.gz IFGNIRWBWRYEKE-UHFFFAOYSA-N -1 1 285.738 3.145 20 0 CGADMM COc1nc(-c2ccc([O-])cc2F)nc2ccccc21 ZINC001206029734 813171882 /nfs/dbraw/zinc/17/18/82/813171882.db2.gz HJUMRYKRMICQKZ-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001208888611 813882150 /nfs/dbraw/zinc/88/21/50/813882150.db2.gz ADCOLCGSWUKWNQ-SNVBAGLBSA-N -1 1 293.791 3.336 20 0 CGADMM COc1ccc(Nc2cc(C)cc(C)n2)cc1C(=O)[O-] ZINC001209895897 814192964 /nfs/dbraw/zinc/19/29/64/814192964.db2.gz DNFQVLPHPPCJDH-UHFFFAOYSA-N -1 1 272.304 3.149 20 0 CGADMM CSc1nc(Nc2cc(F)c(C)c(F)c2)cc(=O)[n-]1 ZINC001210107322 814293545 /nfs/dbraw/zinc/29/35/45/814293545.db2.gz NETRIJATKLOGLR-UHFFFAOYSA-N -1 1 283.303 3.234 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cccc2c1OCCO2 ZINC001210373302 814429131 /nfs/dbraw/zinc/42/91/31/814429131.db2.gz BARPJEBUZVUSFC-UHFFFAOYSA-N -1 1 279.242 3.185 20 0 CGADMM COc1ncc(Cl)cc1Nc1ccnc(Cl)c1[O-] ZINC001210450150 814462303 /nfs/dbraw/zinc/46/23/03/814462303.db2.gz GZXDGARUZVBNPN-UHFFFAOYSA-N -1 1 286.118 3.241 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cncc(N2CCCC2)c1 ZINC001210610653 814555659 /nfs/dbraw/zinc/55/56/59/814555659.db2.gz UKLUHSSOYSOGPB-UHFFFAOYSA-N -1 1 291.301 3.409 20 0 CGADMM CC(C)(C)c1nc([N-]c2ccnc(OC3CC3)c2)no1 ZINC001210746350 814608515 /nfs/dbraw/zinc/60/85/15/814608515.db2.gz KYCUBJKBYVZERN-UHFFFAOYSA-N -1 1 274.324 3.047 20 0 CGADMM [O-]c1cccc(-c2ccc(-n3ccnn3)cc2)c1Cl ZINC001242799256 823135647 /nfs/dbraw/zinc/13/56/47/823135647.db2.gz BJSXIUFQBNTFQQ-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM CCOC(=O)c1cc(F)cnc1-c1cccc([O-])c1Cl ZINC001242798287 823135860 /nfs/dbraw/zinc/13/58/60/823135860.db2.gz PXVCARQJYSQTFA-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM COC(=O)Cc1cccc(-c2cccc([O-])c2Cl)c1 ZINC001242799677 823136383 /nfs/dbraw/zinc/13/63/83/823136383.db2.gz XQVPBGXRWCUFEB-UHFFFAOYSA-N -1 1 276.719 3.428 20 0 CGADMM O=C1Cc2cc(-c3cccc([O-])c3Cl)ccc2N1 ZINC001242799575 823136656 /nfs/dbraw/zinc/13/66/56/823136656.db2.gz SFTGSBAZAQSXSK-UHFFFAOYSA-N -1 1 259.692 3.207 20 0 CGADMM CC(=O)Nc1ccc(-c2cccc([O-])c2Cl)cn1 ZINC001242801315 823137100 /nfs/dbraw/zinc/13/71/00/823137100.db2.gz YAFRLFPZYCNKJU-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM O=S1(=O)Cc2ccc(-c3cccc([O-])c3Cl)cc2C1 ZINC001242801603 823137133 /nfs/dbraw/zinc/13/71/33/823137133.db2.gz BUNTZZYWZCZNAB-UHFFFAOYSA-N -1 1 294.759 3.141 20 0 CGADMM CNC(=O)c1cccc(-c2cccc([O-])c2Cl)c1 ZINC001242800727 823137156 /nfs/dbraw/zinc/13/71/56/823137156.db2.gz RYCUUPSELYTKLF-UHFFFAOYSA-N -1 1 261.708 3.072 20 0 CGADMM NC(=O)CCc1cccc(-c2cccc([O-])c2Cl)c1 ZINC001242802455 823138091 /nfs/dbraw/zinc/13/80/91/823138091.db2.gz ILWBXTXCGRGHMD-UHFFFAOYSA-N -1 1 275.735 3.131 20 0 CGADMM O=c1cc(-c2cccc([O-])c2Cl)cnn1-c1ccccc1 ZINC001242802329 823138146 /nfs/dbraw/zinc/13/81/46/823138146.db2.gz XCOGKCSCLXZKPF-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM COc1ccc(F)nc1-c1cccc([O-])c1Cl ZINC001242803612 823138306 /nfs/dbraw/zinc/13/83/06/823138306.db2.gz UMXAAHGPAHDCHM-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM C[S@](=O)c1ccccc1-c1cc(F)c([O-])cc1F ZINC001211350487 814883603 /nfs/dbraw/zinc/88/36/03/814883603.db2.gz PIHMVADXVOUWMY-SFHVURJKSA-N -1 1 268.284 3.075 20 0 CGADMM COC(=O)c1cc(OC)cc(-c2cc(F)c([O-])cc2F)c1 ZINC001211359421 814885340 /nfs/dbraw/zinc/88/53/40/814885340.db2.gz GSCVCUOJNTTZEK-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM Cc1cc(Nc2ccc(F)c(F)c2[O-])ccc1CO ZINC001211590048 814913295 /nfs/dbraw/zinc/91/32/95/814913295.db2.gz GNHHZTCSLUYTFK-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM [O-]c1cc(-c2nc(-c3ccccc3)no2)ccc1F ZINC001215843030 815612105 /nfs/dbraw/zinc/61/21/05/815612105.db2.gz XGHYHWDFGLRXTO-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM Clc1ccc([N-]c2nonc2C2CC2)c2c[nH]nc21 ZINC001215942875 815637474 /nfs/dbraw/zinc/63/74/74/815637474.db2.gz QYONZPQNVYVXIP-UHFFFAOYSA-N -1 1 275.699 3.220 20 0 CGADMM CC(C)c1ccc(N)c(-n2[n-]c(=O)c3cc(N)ccc32)c1 ZINC001216020777 815662914 /nfs/dbraw/zinc/66/29/14/815662914.db2.gz FCRCAHLITLXKFM-UHFFFAOYSA-N -1 1 282.347 3.019 20 0 CGADMM [O-]c1cc(Nc2ccc(O)c(CO)c2)c(F)cc1Cl ZINC001216139657 815712690 /nfs/dbraw/zinc/71/26/90/815712690.db2.gz PCUIFLWPJHHWGK-UHFFFAOYSA-N -1 1 283.686 3.126 20 0 CGADMM CNc1cc(F)cc(Nc2ccnc(Cl)c2[O-])c1 ZINC001216187217 815726854 /nfs/dbraw/zinc/72/68/54/815726854.db2.gz XKFIVFKWXWPRDV-UHFFFAOYSA-N -1 1 267.691 3.365 20 0 CGADMM COc1ccc(-c2noc(-c3c(C)cc(O)cc3[O-])n2)cc1 ZINC001216986752 815905475 /nfs/dbraw/zinc/90/54/75/815905475.db2.gz NJBVMDCOZLZPLN-UHFFFAOYSA-N -1 1 298.298 3.132 20 0 CGADMM [O-]c1cc(O[C@H]2CNCC(F)(F)C2)c(Cl)cc1Cl ZINC001218273727 816148519 /nfs/dbraw/zinc/14/85/19/816148519.db2.gz BNMNVUGICSOXOO-ZCFIWIBFSA-N -1 1 298.116 3.075 20 0 CGADMM CC(C)C[C@@H](C)C[C@@H](CC(C)C)OCc1nn[n-]n1 ZINC001223028902 816554429 /nfs/dbraw/zinc/55/44/29/816554429.db2.gz FLOTVJGKBLRXLM-CHWSQXEVSA-N -1 1 268.405 3.203 20 0 CGADMM CCCC[C@@H](CC)C[C@@H](C)OCC[P@](=O)([O-])O ZINC001224601319 816831501 /nfs/dbraw/zinc/83/15/01/816831501.db2.gz GGZKVWYYBKAHJQ-VXGBXAGGSA-N -1 1 266.318 3.176 20 0 CGADMM [O-]c1cc(-c2nccc(-c3cccnc3)n2)ccc1F ZINC001243053445 823229382 /nfs/dbraw/zinc/22/93/82/823229382.db2.gz DJLJZUYPSIHNNE-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM CC[C@H](C)CC[C@H](C)OCCCC[P@](=O)([O-])O ZINC001225018684 816932565 /nfs/dbraw/zinc/93/25/65/816932565.db2.gz FJJXWXCTTMXWEM-RYUDHWBXSA-N -1 1 266.318 3.176 20 0 CGADMM CC(=O)c1ccc([O-])cc1OC[C@H]1CCc2ccccc2O1 ZINC001225617219 817113723 /nfs/dbraw/zinc/11/37/23/817113723.db2.gz VZHYOSFQZLNCDH-OAHLLOKOSA-N -1 1 298.338 3.367 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C)CC(C)C ZINC001225678534 817137956 /nfs/dbraw/zinc/13/79/56/817137956.db2.gz IRURUFROYIOIEJ-VIFPVBQESA-N -1 1 252.310 3.114 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccc(OC2CC2)cc1 ZINC001225807556 817184317 /nfs/dbraw/zinc/18/43/17/817184317.db2.gz IUBQLXRMVZHNQG-UHFFFAOYSA-N -1 1 254.285 3.164 20 0 CGADMM CCCC1CCC(Oc2nc(=O)[n-]cc2C(C)=O)CC1 ZINC001226239327 817307305 /nfs/dbraw/zinc/30/73/05/817307305.db2.gz LSGJOMPMKOMRQZ-UHFFFAOYSA-N -1 1 278.352 3.123 20 0 CGADMM COc1ccc([C@@H](C)Oc2[n-]c(=O)nc(C)c2Cl)cc1 ZINC001227111731 817561601 /nfs/dbraw/zinc/56/16/01/817561601.db2.gz QFNPVWSPGGCJDE-SECBINFHSA-N -1 1 294.738 3.293 20 0 CGADMM [O-]c1cc(Cl)c(O[C@@H]2CCOC[C@@H]2F)cc1Cl ZINC001227644897 817687184 /nfs/dbraw/zinc/68/71/84/817687184.db2.gz DFZDBCQRLCRJON-WCBMZHEXSA-N -1 1 281.110 3.205 20 0 CGADMM Cc1cccc2c1[C@H](Oc1[n-]c(=O)nc3c1CO[C@@H]3C)CC2 ZINC001227709478 817699958 /nfs/dbraw/zinc/69/99/58/817699958.db2.gz DEPZDKHLZMQGPR-ZWNOBZJWSA-N -1 1 298.342 3.148 20 0 CGADMM Cc1ccc2c(c1)CC[C@@H]2Oc1[n-]c(=O)nc2c1CO[C@@H]2C ZINC001227710573 817700939 /nfs/dbraw/zinc/70/09/39/817700939.db2.gz MKTALKIKNZNZLZ-YGRLFVJLSA-N -1 1 298.342 3.148 20 0 CGADMM O=C(c1ccccc1)c1ccc([O-])cc1OC1CCOCC1 ZINC001228182086 817833625 /nfs/dbraw/zinc/83/36/25/817833625.db2.gz AVLQSBHGUYGZJN-UHFFFAOYSA-N -1 1 298.338 3.181 20 0 CGADMM S=c1nncc(O[C@H]2CCCC[C@@H]2c2ccccc2)[n-]1 ZINC001228636918 817958445 /nfs/dbraw/zinc/95/84/45/817958445.db2.gz RRZURGVHRADLIV-OLZOCXBDSA-N -1 1 287.388 3.266 20 0 CGADMM O=C([O-])c1ccc(F)c(CN2CC(c3ccccc3)C2)c1 ZINC001231459201 818101835 /nfs/dbraw/zinc/10/18/35/818101835.db2.gz VEUSUWQCFOZHSK-UHFFFAOYSA-N -1 1 285.318 3.123 20 0 CGADMM Nc1noc2cc(-c3ccc([O-])c(F)c3F)ccc12 ZINC001243340630 823353676 /nfs/dbraw/zinc/35/36/76/823353676.db2.gz GGJOAXPLBTUGTN-UHFFFAOYSA-N -1 1 262.215 3.061 20 0 CGADMM CCOC(=O)c1cc(C)cc(-c2ccc([O-])c(F)c2F)n1 ZINC001243339762 823353952 /nfs/dbraw/zinc/35/39/52/823353952.db2.gz UFIHZJKFWUGONY-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COC(=O)c1cc(OC)cc(-c2ccc([O-])c(F)c2F)c1 ZINC001243340564 823354431 /nfs/dbraw/zinc/35/44/31/823354431.db2.gz DGJUKHACMPYTGL-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM COC(=O)c1cc(C)cc(-c2ccc([O-])c(F)c2F)c1 ZINC001243342387 823356739 /nfs/dbraw/zinc/35/67/39/823356739.db2.gz INSRKHPOCQJGMO-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM [O-]c1ccc(-c2cnc3[nH]ccc3c2F)c(F)c1F ZINC001243342954 823358787 /nfs/dbraw/zinc/35/87/87/823358787.db2.gz RJYNORMOTBRPNY-UHFFFAOYSA-N -1 1 264.206 3.304 20 0 CGADMM CCCC[C@H](C)Oc1c(=O)[n-]c(C(C)C)nc1C(=O)OC ZINC001234558835 818880463 /nfs/dbraw/zinc/88/04/63/818880463.db2.gz YNXVZLNVBPOAGH-JTQLQIEISA-N -1 1 296.367 3.050 20 0 CGADMM CCC[C@@H](CC)Oc1c(=O)[n-]c(C(C)C)nc1C(=O)OC ZINC001234561145 818882604 /nfs/dbraw/zinc/88/26/04/818882604.db2.gz RJRSDZRXGMHGHD-SNVBAGLBSA-N -1 1 296.367 3.050 20 0 CGADMM Cc1nc2cncc(-c3c(F)cc(F)c([O-])c3F)c2[nH]1 ZINC001236002634 819269204 /nfs/dbraw/zinc/26/92/04/819269204.db2.gz QOAOIEXXVDKFCM-UHFFFAOYSA-N -1 1 279.221 3.056 20 0 CGADMM Cc1c(Cl)c(-c2cncc3nc[nH]c32)ccc1C(=O)[O-] ZINC001236119237 819328263 /nfs/dbraw/zinc/32/82/63/819328263.db2.gz DVVCCIVLGPNLNP-UHFFFAOYSA-N -1 1 287.706 3.285 20 0 CGADMM Cc1ccc(F)c(-c2cc(OC(C)C)ncn2)c1[O-] ZINC001236394220 819449073 /nfs/dbraw/zinc/44/90/73/819449073.db2.gz VJBBBHWJZRHSFH-UHFFFAOYSA-N -1 1 262.284 3.084 20 0 CGADMM C[S@@](=O)c1ccccc1-c1cc(F)cc(F)c1[O-] ZINC001243502659 823421475 /nfs/dbraw/zinc/42/14/75/823421475.db2.gz MWVJOGOXAOIIRU-GOSISDBHSA-N -1 1 268.284 3.075 20 0 CGADMM COc1ccc(F)c(-c2cc(F)cc(F)c2[O-])c1 ZINC001243503825 823422731 /nfs/dbraw/zinc/42/27/31/823422731.db2.gz KVOXRAJNUYUXOA-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COc1cc(C)ncc1-c1cc(F)cc(F)c1[O-] ZINC001243504100 823422808 /nfs/dbraw/zinc/42/28/08/823422808.db2.gz JIKIMJQMEATHQE-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CN(CCc1ccncc1)Cc1cc(Cl)c([O-])cc1F ZINC001238152813 819944062 /nfs/dbraw/zinc/94/40/62/819944062.db2.gz SWHKSFVTSOJLGP-UHFFFAOYSA-N -1 1 294.757 3.254 20 0 CGADMM Cc1nc2c(ccn2C)c(-c2ccc(Cl)c([O-])c2)n1 ZINC001243576349 823451231 /nfs/dbraw/zinc/45/12/31/823451231.db2.gz LCPMMBCPPHFPKJ-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM COC(=O)c1cc(C)cc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243576501 823451449 /nfs/dbraw/zinc/45/14/49/823451449.db2.gz PPVHRLPQCVJNDI-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM COc1ccc(-c2ccc(C(F)(F)F)cc2[O-])nc1OC ZINC001243606904 823464859 /nfs/dbraw/zinc/46/48/59/823464859.db2.gz KUMDGZJZZDTHJM-UHFFFAOYSA-N -1 1 299.248 3.490 20 0 CGADMM COC(=O)c1nc2ccc(-c3coc4ccccc43)nc2[n-]1 ZINC001239063315 820209592 /nfs/dbraw/zinc/20/95/92/820209592.db2.gz DVUAOVQELKEWDU-UHFFFAOYSA-N -1 1 293.282 3.158 20 0 CGADMM COc1ccnc(-c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001243604256 823463810 /nfs/dbraw/zinc/46/38/10/823463810.db2.gz ABDFLAYRJCQFSG-UHFFFAOYSA-N -1 1 269.222 3.482 20 0 CGADMM O=C([O-])c1c(F)cc(-c2cccc3nc[nH]c32)cc1F ZINC001239345528 820285167 /nfs/dbraw/zinc/28/51/67/820285167.db2.gz GRYZESJMDKWAMP-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM [O-]c1ccc(F)cc1-c1ccc(OC(F)F)cn1 ZINC001240693290 821250268 /nfs/dbraw/zinc/25/02/68/821250268.db2.gz LIILLTBSCBTNQY-UHFFFAOYSA-N -1 1 255.195 3.195 20 0 CGADMM CCc1c(C)cc(-c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC001240740564 821292573 /nfs/dbraw/zinc/29/25/73/821292573.db2.gz FANDWWSCYPEGPI-UHFFFAOYSA-N -1 1 279.347 3.108 20 0 CGADMM CCc1c(C)cc(-c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC001240740564 821292579 /nfs/dbraw/zinc/29/25/79/821292579.db2.gz FANDWWSCYPEGPI-UHFFFAOYSA-N -1 1 279.347 3.108 20 0 CGADMM [O-]c1cc(F)c(-c2ncccc2OC(F)F)c(F)c1 ZINC001241118278 821573031 /nfs/dbraw/zinc/57/30/31/821573031.db2.gz PWHPJOUOIKBOQB-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3ncccc3n2)c(F)c1 ZINC001241117694 821573094 /nfs/dbraw/zinc/57/30/94/821573094.db2.gz VQYKUZCIKFYGKQ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CSc1cccc(-c2c(F)cc([O-])cc2F)n1 ZINC001241120351 821575463 /nfs/dbraw/zinc/57/54/63/821575463.db2.gz QAZCPBYCPNTJDE-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM O=c1ccc(-c2c(F)cc([O-])cc2F)cn1CC1CCC1 ZINC001241121429 821577478 /nfs/dbraw/zinc/57/74/78/821577478.db2.gz JUZGSNHZCMRXBN-UHFFFAOYSA-N -1 1 291.297 3.299 20 0 CGADMM CCOc1ccc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241122475 821578146 /nfs/dbraw/zinc/57/81/46/821578146.db2.gz OSTLRRDYXMUXOA-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3nsnc3c2)c(F)c1 ZINC001241122772 821579707 /nfs/dbraw/zinc/57/97/07/821579707.db2.gz YJFQBSXPXYKMHG-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM CCOC(=O)c1cnc(C)c(-c2c(F)cc([O-])cc2F)c1 ZINC001241122867 821580058 /nfs/dbraw/zinc/58/00/58/821580058.db2.gz OEKQRUPWNYSELU-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM CCOCc1cncc(-c2c(F)cc([O-])cc2F)c1 ZINC001241125014 821580925 /nfs/dbraw/zinc/58/09/25/821580925.db2.gz PBYHKQQFLMDPFN-UHFFFAOYSA-N -1 1 265.259 3.269 20 0 CGADMM O=C1CC[C@H](c2ccc(-c3c(F)cc([O-])cc3F)cc2)N1 ZINC001241124555 821581501 /nfs/dbraw/zinc/58/15/01/821581501.db2.gz IEPBORWAMKOLOH-CQSZACIVSA-N -1 1 289.281 3.289 20 0 CGADMM CN(C)Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1F ZINC001241186833 821623746 /nfs/dbraw/zinc/62/37/46/821623746.db2.gz IAVJSTIHKGXEJO-UHFFFAOYSA-N -1 1 291.297 3.392 20 0 CGADMM Cc1nc(-c2c(F)ccc([O-])c2F)cc(N2CCCC2)n1 ZINC001241290089 821707074 /nfs/dbraw/zinc/70/70/74/821707074.db2.gz HZDZRNVFIPOYJA-UHFFFAOYSA-N -1 1 291.301 3.036 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3cc(F)ccc32)c1F ZINC001241290888 821707741 /nfs/dbraw/zinc/70/77/41/821707741.db2.gz QHVLXJAWNBAMOZ-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM CC(C)Cc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1 ZINC001241326650 821734438 /nfs/dbraw/zinc/73/44/38/821734438.db2.gz YFHDTDWDQQFPQO-UHFFFAOYSA-N -1 1 293.366 3.365 20 0 CGADMM Cc1[nH]nc2ccc(-c3ccccc3C(=O)[O-])cc12 ZINC001241668711 822048201 /nfs/dbraw/zinc/04/82/01/822048201.db2.gz FTQRPKATXWGALU-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CN(C)Cc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1F ZINC001241836981 822172661 /nfs/dbraw/zinc/17/26/61/822172661.db2.gz ITGMIBWCCASMAQ-UHFFFAOYSA-N -1 1 291.297 3.392 20 0 CGADMM Cc1nccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242125946 822886320 /nfs/dbraw/zinc/88/63/20/822886320.db2.gz CBIMRJUJDBHMJI-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM COCOc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nc1 ZINC001242131180 822888513 /nfs/dbraw/zinc/88/85/13/822888513.db2.gz FRFCODGZVLTSAS-UHFFFAOYSA-N -1 1 299.248 3.456 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1nncc2cnccc21 ZINC001242131913 822888577 /nfs/dbraw/zinc/88/85/77/822888577.db2.gz MMICPOOZAYFRQY-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM Cc1noc2ncnc(-c3ccc([O-])c(C(F)(F)F)c3)c12 ZINC001242157722 822899080 /nfs/dbraw/zinc/89/90/80/822899080.db2.gz LYCMOLWBYPDWEV-UHFFFAOYSA-N -1 1 295.220 3.318 20 0 CGADMM COC(=O)c1ccccc1-c1cccc(Cl)c1[O-] ZINC001242365092 822968001 /nfs/dbraw/zinc/96/80/01/822968001.db2.gz JMCHWLLQOJMLCY-UHFFFAOYSA-N -1 1 262.692 3.499 20 0 CGADMM CSc1ccccc1[N-]C(=O)c1c(F)ccnc1F ZINC001349514738 936951220 /nfs/dbraw/zinc/95/12/20/936951220.db2.gz MTBCGTMMHYCRJU-UHFFFAOYSA-N -1 1 280.299 3.334 20 0 CGADMM O=C(NCCCC(F)F)c1ccc(C(F)(F)F)c([O-])c1 ZINC001350976623 937004825 /nfs/dbraw/zinc/00/48/25/937004825.db2.gz COSZFVXXCWWEJR-UHFFFAOYSA-N -1 1 297.223 3.186 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1Cl ZINC001364513418 937233664 /nfs/dbraw/zinc/23/36/64/937233664.db2.gz VCCNJQLNJLQQMV-UHFFFAOYSA-N -1 1 279.727 3.144 20 0 CGADMM C[C@@H](c1cccnc1)N(C)Cc1ccc([O-])c(F)c1F ZINC001560745650 937237448 /nfs/dbraw/zinc/23/74/48/937237448.db2.gz VWCNCWJMXVDEKU-JTQLQIEISA-N -1 1 278.302 3.258 20 0 CGADMM CCCC[C@@H](CC)CNC(=O)c1ncc(C)cc1[O-] ZINC001441065130 937335889 /nfs/dbraw/zinc/33/58/89/937335889.db2.gz ITLOIYBESLBOSR-GFCCVEGCSA-N -1 1 264.369 3.042 20 0 CGADMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1cccc([O-])c1F ZINC001445649542 937358416 /nfs/dbraw/zinc/35/84/16/937358416.db2.gz NBAADQPUMBGYSY-SNVBAGLBSA-N -1 1 289.306 3.070 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001451746789 937391687 /nfs/dbraw/zinc/39/16/87/937391687.db2.gz SXKOGBFEQIRAJE-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM CCc1csc([C@@H](C)NC(=O)c2ccc(F)c([O-])c2)n1 ZINC001452053560 937393248 /nfs/dbraw/zinc/39/32/48/937393248.db2.gz QTHCPUMTTUHISL-MRVPVSSYSA-N -1 1 294.351 3.041 20 0 CGADMM O=C(Nc1cnc2c(F)cccc2c1)c1ccccc1[O-] ZINC001165758406 931995235 /nfs/dbraw/zinc/99/52/35/931995235.db2.gz GIFUOJLJFZBPMO-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc2scnc2c1 ZINC001165758401 931995593 /nfs/dbraw/zinc/99/55/93/931995593.db2.gz GGAGHZOVJAGPPE-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM CCC[C@H](CC)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229136620 932102851 /nfs/dbraw/zinc/10/28/51/932102851.db2.gz WWZIGYOXIDXUAK-NSHDSACASA-N -1 1 262.305 3.456 20 0 CGADMM CCCOC(=O)[C@@H](C)Oc1cc([O-])c(Cl)cc1Cl ZINC001229411312 932147788 /nfs/dbraw/zinc/14/77/88/932147788.db2.gz QFHWIHJGHYQEKF-SSDOTTSWSA-N -1 1 293.146 3.420 20 0 CGADMM CCCOC(=O)[C@H](C)Oc1cc([O-])c(Cl)cc1Cl ZINC001229411313 932147831 /nfs/dbraw/zinc/14/78/31/932147831.db2.gz QFHWIHJGHYQEKF-ZETCQYMHSA-N -1 1 293.146 3.420 20 0 CGADMM COc1ccc(F)c(CNCc2cccc([O-])c2Cl)c1 ZINC001461649694 937590279 /nfs/dbraw/zinc/59/02/79/937590279.db2.gz VYRLVKUTSGEFDI-UHFFFAOYSA-N -1 1 295.741 3.483 20 0 CGADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC001303783582 932833215 /nfs/dbraw/zinc/83/32/15/932833215.db2.gz BNDGLHBZNDOQRM-HGGPSHQYSA-N -1 1 281.355 3.320 20 0 CGADMM COC(C)(C)[C@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC001303922039 932836537 /nfs/dbraw/zinc/83/65/37/932836537.db2.gz YPECJSOQHCCFEW-NSHDSACASA-N -1 1 287.359 3.089 20 0 CGADMM C[C@@H]1CN(Cc2ccc([O-])c(F)c2F)CC2(CCCC2)O1 ZINC001462406030 937638512 /nfs/dbraw/zinc/63/85/12/937638512.db2.gz QIWVIQZHXXJYPZ-LLVKDONJSA-N -1 1 297.345 3.204 20 0 CGADMM Cc1nc(SCCCC(C)(F)F)[n-]c(=O)c1C ZINC001307323115 932940684 /nfs/dbraw/zinc/94/06/84/932940684.db2.gz NTEAHWWHBHSUAB-UHFFFAOYSA-N -1 1 262.325 3.327 20 0 CGADMM CC(C)N(Cc1ccc([O-])c(F)c1F)CC(F)F ZINC001308571377 933135216 /nfs/dbraw/zinc/13/52/16/933135216.db2.gz YAQOAGAAIOUIGL-UHFFFAOYSA-N -1 1 265.250 3.146 20 0 CGADMM O=C(Nc1c[n-][nH]c1=O)C1CCC(c2ccccc2)CC1 ZINC001413843008 933380167 /nfs/dbraw/zinc/38/01/67/933380167.db2.gz FMKIJKDPGQCBCG-UHFFFAOYSA-N -1 1 285.347 3.028 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc(F)c([O-])c2)C1 ZINC001464476058 937691424 /nfs/dbraw/zinc/69/14/24/937691424.db2.gz WMNUSVXEKJLSCP-MNOVXSKESA-N -1 1 265.328 3.087 20 0 CGADMM CC(C)[C@@H]1CCCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001465193576 937698885 /nfs/dbraw/zinc/69/88/85/937698885.db2.gz RSORMDLZEHDBOT-GFCCVEGCSA-N -1 1 279.355 3.430 20 0 CGADMM CCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H]1CCCC[C@H]1C ZINC001464773182 937695040 /nfs/dbraw/zinc/69/50/40/937695040.db2.gz XHMQTUAAMLWAEK-IUODEOHRSA-N -1 1 289.375 3.002 20 0 CGADMM O=C(Nc1cnccc1-c1ccccc1)c1ccc([O-])cn1 ZINC001466854963 937713046 /nfs/dbraw/zinc/71/30/46/937713046.db2.gz BSMKQFDIMNSEFX-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM C[C@H]1CC/C(=C\C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC001469162337 937736113 /nfs/dbraw/zinc/73/61/13/937736113.db2.gz WFDLAEKPSUNADZ-MOIHINDBSA-N -1 1 267.275 3.355 20 0 CGADMM Cc1c(F)c(F)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC001468943905 937733699 /nfs/dbraw/zinc/73/36/99/937733699.db2.gz UHAGBJBIXOQMLV-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CSc1ccc(C(=O)[N-]c2ncccc2SC)o1 ZINC001469787662 937743865 /nfs/dbraw/zinc/74/38/65/937743865.db2.gz OYZQLWNECQPIJF-UHFFFAOYSA-N -1 1 280.374 3.371 20 0 CGADMM Cc1ccc(C(=O)Nc2cccc(F)c2[O-])c(O)c1C ZINC001471166794 937762178 /nfs/dbraw/zinc/76/21/78/937762178.db2.gz QRPUIRBGXWHDBZ-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)c2cncc([O-])c2)C1 ZINC001471714433 937768851 /nfs/dbraw/zinc/76/88/51/937768851.db2.gz HBGDLFKAAPQOBK-BDJLRTHQSA-N -1 1 276.380 3.122 20 0 CGADMM CC1(C)CCC[C@@H](CNC(=O)c2c([O-])cccc2Cl)O1 ZINC001472251568 937774318 /nfs/dbraw/zinc/77/43/18/937774318.db2.gz KRVPRPRJUFTRES-JTQLQIEISA-N -1 1 297.782 3.123 20 0 CGADMM CC(C)(C)c1ccc(NC(=O)c2ccc(F)c([O-])c2)cn1 ZINC001472253182 937774331 /nfs/dbraw/zinc/77/43/31/937774331.db2.gz ZLSGRPXPLAHSBH-UHFFFAOYSA-N -1 1 288.322 3.476 20 0 CGADMM CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2c(F)ccc(O)c2F)C1 ZINC001325010088 934882191 /nfs/dbraw/zinc/88/21/91/934882191.db2.gz FXQBNBSQAZXNEO-NXEZZACHSA-N -1 1 287.375 3.386 20 0 CGADMM COC(=O)c1ccc(C(=O)OCc2ccccc2C2CC2)[n-]1 ZINC001326839710 935011621 /nfs/dbraw/zinc/01/16/21/935011621.db2.gz UNDKQUAUJHTXFP-UHFFFAOYSA-N -1 1 299.326 3.036 20 0 CGADMM CC1(CC(=O)Nc2cccc([O-])c2Br)CC1 ZINC001334947794 936123384 /nfs/dbraw/zinc/12/33/84/936123384.db2.gz KKYSIPBSLDYIDA-UHFFFAOYSA-N -1 1 284.153 3.283 20 0 CGADMM CCC[C@@H](C)C[C@H](NCc1ccc(OCC)o1)C(=O)[O-] ZINC001335183337 936132615 /nfs/dbraw/zinc/13/26/15/936132615.db2.gz AESYPEAKIOLOOP-YPMHNXCESA-N -1 1 283.368 3.047 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1C1CCCC1)c1ccc([O-])cc1F ZINC001522615820 938037138 /nfs/dbraw/zinc/03/71/38/938037138.db2.gz CAIDVUALTOPBQK-FZMZJTMJSA-N -1 1 277.339 3.087 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCC[C@@H](c2ccccc2)CC1 ZINC001542772079 938136901 /nfs/dbraw/zinc/13/69/01/938136901.db2.gz OYKLGAUPOBTSMA-OAHLLOKOSA-N -1 1 296.370 3.197 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H]1C ZINC001545336201 938149458 /nfs/dbraw/zinc/14/94/58/938149458.db2.gz RCOLUUMOUNRMKM-IUCAKERBSA-N -1 1 287.281 3.282 20 0 CGADMM CC[C@H]1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC001556810070 938205915 /nfs/dbraw/zinc/20/59/15/938205915.db2.gz ZATKPBFNMAZZHE-NWDGAFQWSA-N -1 1 279.355 3.478 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc2ccccc2[nH]1 ZINC001556919762 938206469 /nfs/dbraw/zinc/20/64/69/938206469.db2.gz OIZAWPBPIYOVPX-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM C[C@]1(NC(=O)c2ccc3ccc(O)cc3c2[O-])CC=CCC1 ZINC001556983133 938207029 /nfs/dbraw/zinc/20/70/29/938207029.db2.gz UFBXNQFNLVHXFY-SFHVURJKSA-N -1 1 297.354 3.480 20 0 CGADMM CC[C@H](NC(=O)c1ncc2ccccc2c1[O-])[C@H]1CC1(C)C ZINC001557078811 938207645 /nfs/dbraw/zinc/20/76/45/938207645.db2.gz JYHKHURFUXFOGA-KGLIPLIRSA-N -1 1 298.386 3.495 20 0 CGADMM Cc1ccc2c(c1)CN(C(=O)c1ccc([O-])cc1F)CC2 ZINC001557399566 938209582 /nfs/dbraw/zinc/20/95/82/938209582.db2.gz VGIDEEHPLCTANA-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM C/C(=C/c1ccco1)C(=O)Nc1c([O-])cccc1F ZINC001557409140 938209771 /nfs/dbraw/zinc/20/97/71/938209771.db2.gz FIVHGPIYGWYWND-HJWRWDBZSA-N -1 1 261.252 3.166 20 0 CGADMM CN(C(=O)c1ccc([O-])cn1)C1CC(C)(C)CC(C)(C)C1 ZINC001557418881 938209850 /nfs/dbraw/zinc/20/98/50/938209850.db2.gz YLOYFCSAODDBHN-UHFFFAOYSA-N -1 1 290.407 3.464 20 0 CGADMM CCc1cccnc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001558644557 938216888 /nfs/dbraw/zinc/21/68/88/938216888.db2.gz PHSPJURHKLWGMP-UHFFFAOYSA-N -1 1 294.713 3.394 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc2ccncc2c1 ZINC001558967093 938218592 /nfs/dbraw/zinc/21/85/92/938218592.db2.gz PTDSXNGKFKRQLA-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM O=C([O-])c1ccccc1CNCc1ccc(F)c(F)c1F ZINC001595255290 949592448 /nfs/dbraw/zinc/59/24/48/949592448.db2.gz MCPOPKMLJLSBHA-UHFFFAOYSA-N -1 1 295.260 3.092 20 0 CGADMM O=C([O-])C1(CC[N@H+]2CCc3cc(Cl)ccc3C2)CCC1 ZINC001594879848 954415099 /nfs/dbraw/zinc/41/50/99/954415099.db2.gz YNTFQPNBRPUHNR-UHFFFAOYSA-N -1 1 293.794 3.343 20 0 CGADMM Cc1cc([C@H](C)NCc2cc(C(=O)[O-])c(C)n2C)c(C)o1 ZINC000386055668 972029333 /nfs/dbraw/zinc/02/93/33/972029333.db2.gz GGEDGLKIXGKWCB-JTQLQIEISA-N -1 1 290.363 3.092 20 0 CGADMM CN(Cc1ccoc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000048877669 957468120 /nfs/dbraw/zinc/46/81/20/957468120.db2.gz IEZGEDPYWQHOQY-UHFFFAOYSA-N -1 1 279.723 3.263 20 0 CGADMM Cc1ccc(CNC(=O)Nc2cccc(F)c2[O-])cc1 ZINC001185403019 957888950 /nfs/dbraw/zinc/88/89/50/957888950.db2.gz MWKUFGHCLRKJTR-UHFFFAOYSA-N -1 1 274.295 3.161 20 0 CGADMM Cc1ccccc1[C@@H](C)NCc1occc1C(=O)[O-] ZINC000235215874 960398756 /nfs/dbraw/zinc/39/87/56/960398756.db2.gz WQQMNFQPBVAHMT-LLVKDONJSA-N -1 1 259.305 3.137 20 0 CGADMM CC(=O)Nc1ccc(-c2cc(F)c([O-])c(F)c2)cc1 ZINC001244093661 960417292 /nfs/dbraw/zinc/41/72/92/960417292.db2.gz KBXZALOGHRGKRX-UHFFFAOYSA-N -1 1 263.243 3.296 20 0 CGADMM CCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC001565557364 960792388 /nfs/dbraw/zinc/79/23/88/960792388.db2.gz UVYWAAUUKKWBLP-UHFFFAOYSA-N -1 1 273.254 3.036 20 0 CGADMM O=Cc1cc(C(=O)Nc2cccc([O-])c2F)c(Cl)s1 ZINC001566435630 960943584 /nfs/dbraw/zinc/94/35/84/960943584.db2.gz PXDPKXXYUMRFKV-UHFFFAOYSA-N -1 1 299.710 3.311 20 0 CGADMM O=C(NCc1ccc(Cl)cc1F)c1ccc(F)c([O-])c1 ZINC001567862889 961444995 /nfs/dbraw/zinc/44/49/95/961444995.db2.gz QOIMBESRXVSSKZ-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM Cc1coc(C(=O)Nc2ccc([O-])c(F)c2F)c1C ZINC001569010953 961661389 /nfs/dbraw/zinc/66/13/89/961661389.db2.gz UDESDXPHGBQYRA-UHFFFAOYSA-N -1 1 267.231 3.133 20 0 CGADMM Cc1cccnc1/C=C/C(=O)Nc1ccc([O-])c(F)c1F ZINC001569010853 961667284 /nfs/dbraw/zinc/66/72/84/961667284.db2.gz PBMGIWWKXTWEGT-FNORWQNLSA-N -1 1 290.269 3.026 20 0 CGADMM Cc1cscc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001570101435 961905337 /nfs/dbraw/zinc/90/53/37/961905337.db2.gz HYRDKNUTJYAWJD-UHFFFAOYSA-N -1 1 269.272 3.293 20 0 CGADMM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1cc(F)ccc1[O-] ZINC001570329227 961946865 /nfs/dbraw/zinc/94/68/65/961946865.db2.gz PTHGDZJMEVPYDL-YPMHNXCESA-N -1 1 277.339 3.087 20 0 CGADMM Cc1oc(C(C)(C)C)cc1CN1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001574443863 962303926 /nfs/dbraw/zinc/30/39/26/962303926.db2.gz IWNNUOXLPXLAQS-ZWNOBZJWSA-N -1 1 279.380 3.323 20 0 CGADMM C[C@H](c1cccc(Cl)c1F)N1CCC[C@H](C(=O)[O-])C1 ZINC001589174598 963351053 /nfs/dbraw/zinc/35/10/53/963351053.db2.gz DBVHMQXBCAYFMS-ZJUUUORDSA-N -1 1 285.746 3.337 20 0 CGADMM Cc1cc(CN2CCc3ccc(C(=O)[O-])cc3C2)cs1 ZINC000312328284 963553853 /nfs/dbraw/zinc/55/38/53/963553853.db2.gz TVGFESOINXUCBJ-UHFFFAOYSA-N -1 1 287.384 3.313 20 0 CGADMM Cc1cccc([C@@H](NCc2cc(C)ccc2F)C(=O)[O-])c1 ZINC001605329768 973201849 /nfs/dbraw/zinc/20/18/49/973201849.db2.gz LBPRVXDOQCSUNH-MRXNPFEDSA-N -1 1 287.334 3.358 20 0 CGADMM CC(F)(F)c1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC001592943708 980015791 /nfs/dbraw/zinc/01/57/91/980015791.db2.gz AANDYOWDKWGXOR-UHFFFAOYSA-N -1 1 295.285 3.379 20 0 CGADMM CC[C@H]1c2ccccc2CCN1Cc1cccc(C(=O)[O-])n1 ZINC001595505173 981282086 /nfs/dbraw/zinc/28/20/86/981282086.db2.gz ZVKHWHJJJHCYIV-KRWDZBQOSA-N -1 1 296.370 3.289 20 0 CGADMM CC[C@H](C)[C@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)[O-] ZINC001594929483 982547093 /nfs/dbraw/zinc/54/70/93/982547093.db2.gz SOWYBHFHPQWLIO-CABZTGNLSA-N -1 1 278.377 3.463 20 0 CGADMM Cc1[nH]c(CN(C)[C@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001599963080 985831744 /nfs/dbraw/zinc/83/17/44/985831744.db2.gz WTRARXISJKNHLU-LLVKDONJSA-N -1 1 290.338 3.353 20 0 CGADMM Cc1[nH]c(SCCCC(=O)[O-])nc1Cc1ccccc1 ZINC001599966367 985913364 /nfs/dbraw/zinc/91/33/64/985913364.db2.gz VZWPAVXAEPPWPO-UHFFFAOYSA-N -1 1 290.388 3.266 20 0 CGADMM CCc1[nH]c(C[N@H+](CC)Cc2cccs2)cc1C(=O)[O-] ZINC001597380210 987570221 /nfs/dbraw/zinc/57/02/21/987570221.db2.gz AMIBYYCUBCMOIR-UHFFFAOYSA-N -1 1 292.404 3.359 20 0 CGADMM CCc1[nH]c(CN(CC)Cc2cccs2)cc1C(=O)[O-] ZINC001597380210 987570227 /nfs/dbraw/zinc/57/02/27/987570227.db2.gz AMIBYYCUBCMOIR-UHFFFAOYSA-N -1 1 292.404 3.359 20 0 CGADMM CCc1[nH]c(CN2CCc3ccccc3[C@@H]2C)cc1C(=O)[O-] ZINC001597386889 987608928 /nfs/dbraw/zinc/60/89/28/987608928.db2.gz QBJQJZLDOBLMEN-LBPRGKRZSA-N -1 1 298.386 3.395 20 0 CGADMM CCc1oc(CNc2nc(C)ccc2CC)cc1C(=O)[O-] ZINC001597514562 988120969 /nfs/dbraw/zinc/12/09/69/988120969.db2.gz PLFLTLOFGLCWOO-UHFFFAOYSA-N -1 1 288.347 3.418 20 0 CGADMM C[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)c1nc(C(=O)[O-])co1 ZINC001593195736 994149571 /nfs/dbraw/zinc/14/95/71/994149571.db2.gz FBXFAPNAXHFUHW-WOPDTQHZSA-N -1 1 288.347 3.216 20 0 CGADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC2(CCCCC2)CC1 ZINC001593725038 996272789 /nfs/dbraw/zinc/27/27/89/996272789.db2.gz LULRLRWZTFBSIS-LBPRGKRZSA-N -1 1 292.379 3.480 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC(C2CCC2)CC1 ZINC001593731985 996307198 /nfs/dbraw/zinc/30/71/98/996307198.db2.gz LIAYXTBAKCKNCY-JTQLQIEISA-N -1 1 294.420 3.414 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCCC(C)(C)C1 ZINC001593732532 996313682 /nfs/dbraw/zinc/31/36/82/996313682.db2.gz WHAPLAOJPRODSU-VIFPVBQESA-N -1 1 268.382 3.024 20 0 CGADMM CC1(C)CN(Cc2c[nH]c(C(=O)[O-])c2)[C@H]1c1cccs1 ZINC001593942424 996968750 /nfs/dbraw/zinc/96/87/50/996968750.db2.gz JYIRABXMGKCLSP-ZDUSSCGKSA-N -1 1 290.388 3.358 20 0 CGADMM COc1cc(Cl)ccc1CN1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001599421565 997604498 /nfs/dbraw/zinc/60/44/98/997604498.db2.gz YEVLSWSTLPSPLR-GHMZBOCLSA-N -1 1 297.782 3.034 20 0 CGADMM CN(C[C@@H]1CC1(C)C)C(=O)c1ncc2ccccc2c1[O-] ZINC000621045932 349450987 /nfs/dbraw/zinc/45/09/87/349450987.db2.gz VXWVJMPENNVWPZ-LBPRGKRZSA-N -1 1 284.359 3.059 20 0 CGADMM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ncccc1[O-] ZINC000127700271 187327010 /nfs/dbraw/zinc/32/70/10/187327010.db2.gz ZEIGINKXPKUCDQ-OAHLLOKOSA-N -1 1 298.386 3.189 20 0 CGADMM CCCC1(C(=O)Nc2cc(C(=O)OC)ccc2[O-])CCC1 ZINC000337569723 214162471 /nfs/dbraw/zinc/16/24/71/214162471.db2.gz CAWKAFBADBRXOU-UHFFFAOYSA-N -1 1 291.347 3.088 20 0 CGADMM CC[C@@H](C)[C@@H](OC)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436869931 529406267 /nfs/dbraw/zinc/40/62/67/529406267.db2.gz CIHZWBGPTKWHOO-PRHODGIISA-N -1 1 280.299 3.315 20 0 CGADMM O=C(NCC1CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000622303848 349670259 /nfs/dbraw/zinc/67/02/59/349670259.db2.gz YQGXNBBCEZURLO-UHFFFAOYSA-N -1 1 287.281 3.331 20 0 CGADMM CC[C@H](NC(=O)c1c([O-])cccc1F)C(C)(C)C ZINC000436954685 529556719 /nfs/dbraw/zinc/55/67/19/529556719.db2.gz ACHDMVKNAGJSGG-NSHDSACASA-N -1 1 253.317 3.086 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H](C)C(F)(F)F)n1 ZINC000436185641 529567444 /nfs/dbraw/zinc/56/74/44/529567444.db2.gz HCGYAUXRPJCBRB-ZCFIWIBFSA-N -1 1 266.288 3.035 20 0 CGADMM COc1cccc(-c2nc3cccc(F)c3c(=O)[n-]2)c1 ZINC000591727027 346934517 /nfs/dbraw/zinc/93/45/17/346934517.db2.gz UHFYNFHJOLERIH-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM CCc1nc(CNCc2cc(C)ccc2C)ccc1C(=O)[O-] ZINC000426652726 529740053 /nfs/dbraw/zinc/74/00/53/529740053.db2.gz WSMVTSDCMXWZHR-UHFFFAOYSA-N -1 1 298.386 3.249 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CC2(C)C)c1 ZINC000351585578 219135978 /nfs/dbraw/zinc/13/59/78/219135978.db2.gz XNHJPLPFVVFVPH-MRVPVSSYSA-N -1 1 298.180 3.448 20 0 CGADMM CCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000032548587 344932918 /nfs/dbraw/zinc/93/29/18/344932918.db2.gz ZBSQWIFYXZSLFD-UHFFFAOYSA-N -1 1 288.221 3.133 20 0 CGADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000080022881 345662557 /nfs/dbraw/zinc/66/25/57/345662557.db2.gz KJLCATFPQNLYFT-CYBMUJFWSA-N -1 1 299.345 3.469 20 0 CGADMM CCc1nn(C)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000091163445 345806891 /nfs/dbraw/zinc/80/68/91/345806891.db2.gz AKLOHKABONHKQA-UHFFFAOYSA-N -1 1 295.342 3.094 20 0 CGADMM CC(C)c1ccc([C@@H](C)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000091298394 345809745 /nfs/dbraw/zinc/80/97/45/345809745.db2.gz IXAHVHDCBQRDEH-CZUORRHYSA-N -1 1 291.391 3.047 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)cc1 ZINC000107441291 345934444 /nfs/dbraw/zinc/93/44/44/345934444.db2.gz QJJWVMJVDFPPFT-UHFFFAOYSA-N -1 1 291.372 3.064 20 0 CGADMM CCCC[C@@H](CC)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000117242321 345982527 /nfs/dbraw/zinc/98/25/27/345982527.db2.gz XDLVMOHGRWLDJP-MRVPVSSYSA-N -1 1 292.305 3.369 20 0 CGADMM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc(F)ccc1[O-] ZINC000175192342 232314738 /nfs/dbraw/zinc/31/47/38/232314738.db2.gz OIKJCLIJLMBVTD-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM COCCCCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000127037847 346029129 /nfs/dbraw/zinc/02/91/29/346029129.db2.gz XUNZXSDOGDXTPD-UHFFFAOYSA-N -1 1 296.314 3.110 20 0 CGADMM C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)[C@@H](C(=O)[O-])C1 ZINC000229304814 346317266 /nfs/dbraw/zinc/31/72/66/346317266.db2.gz DTPHYZOEUQBSFQ-ZWNOBZJWSA-N -1 1 267.756 3.025 20 0 CGADMM CCOC1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000316103667 346484957 /nfs/dbraw/zinc/48/49/57/346484957.db2.gz NBHVWZBNJTVILN-UHFFFAOYSA-N -1 1 299.370 3.187 20 0 CGADMM O=C(NC(C1CCC1)C1CCC1)c1cc(F)ccc1[O-] ZINC000325399665 346491122 /nfs/dbraw/zinc/49/11/22/346491122.db2.gz KMICZKCGKADYMU-UHFFFAOYSA-N -1 1 277.339 3.230 20 0 CGADMM CC(C)(C)C1CCN(Cc2nc(C(=O)[O-])cs2)CC1 ZINC000378679256 346554374 /nfs/dbraw/zinc/55/43/74/346554374.db2.gz RFNMFYFCIPPDCT-UHFFFAOYSA-N -1 1 282.409 3.099 20 0 CGADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(F)ccc1[O-] ZINC000128639973 187381568 /nfs/dbraw/zinc/38/15/68/187381568.db2.gz ICUGLOOTQSTDDN-GWCFXTLKSA-N -1 1 265.328 3.182 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(C(=O)OCC)c(C)c2)[n-]1 ZINC000601951182 347928558 /nfs/dbraw/zinc/92/85/58/347928558.db2.gz TXNBLSMLPRCXDS-UHFFFAOYSA-N -1 1 288.347 3.065 20 0 CGADMM CCCc1[n-]n(-c2ccccc2C(=O)OC)c(=O)c1CC ZINC000601951140 347928741 /nfs/dbraw/zinc/92/87/41/347928741.db2.gz ZTADHHGMUKAZRA-LLVKDONJSA-N -1 1 288.347 3.002 20 0 CGADMM Cc1cccc(O[C@H](C)C(=O)Nc2c([O-])cccc2F)c1 ZINC000605439437 348155706 /nfs/dbraw/zinc/15/57/06/348155706.db2.gz WSHQJQZEKNYCLL-LLVKDONJSA-N -1 1 289.306 3.246 20 0 CGADMM CCC[C@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000608078524 348282245 /nfs/dbraw/zinc/28/22/45/348282245.db2.gz FWKWQYOWPOJZQU-JTQLQIEISA-N -1 1 286.379 3.462 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cnc(C2CC2)s1 ZINC000608366294 348301216 /nfs/dbraw/zinc/30/12/16/348301216.db2.gz IDRYDYKSNPIRFI-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc2[nH]ccc2c1 ZINC000608365524 348301541 /nfs/dbraw/zinc/30/15/41/348301541.db2.gz MHIHPYCQPKLXJE-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM CC(C)C[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000611729195 348472686 /nfs/dbraw/zinc/47/26/86/348472686.db2.gz LEVSZZVEZQNCLV-CYBMUJFWSA-N -1 1 298.386 3.449 20 0 CGADMM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000613512298 348614489 /nfs/dbraw/zinc/61/44/89/348614489.db2.gz LRBFTCDEMBACIA-NEPJUHHUSA-N -1 1 297.395 3.325 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C(C)(C)C)s1 ZINC000615221087 348723918 /nfs/dbraw/zinc/72/39/18/348723918.db2.gz IWYBQRMKBZINDQ-UHFFFAOYSA-N -1 1 279.365 3.035 20 0 CGADMM CC(=O)[C@@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000615587403 348750957 /nfs/dbraw/zinc/75/09/57/348750957.db2.gz ZGBIPOCAZXPJLW-INIZCTEOSA-N -1 1 297.354 3.129 20 0 CGADMM CCC(CC)CCCN(C)C(=O)c1ncc(C)cc1[O-] ZINC000620198978 349334803 /nfs/dbraw/zinc/33/48/03/349334803.db2.gz SCJQYRABZRDIOY-UHFFFAOYSA-N -1 1 278.396 3.384 20 0 CGADMM COc1cc(C(=O)N[C@H](C(C)C)C2CC2)cc(Cl)c1[O-] ZINC000620038065 349313067 /nfs/dbraw/zinc/31/30/67/349313067.db2.gz HQWLMAKMAUDEEI-CYBMUJFWSA-N -1 1 297.782 3.219 20 0 CGADMM CC1(C)C[C@]1(C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000620079947 349322434 /nfs/dbraw/zinc/32/24/34/349322434.db2.gz XOUAWUUSGVJLEP-ZDUSSCGKSA-N -1 1 298.180 3.073 20 0 CGADMM CCCCC[C@@H]1CCCCN1C(=O)c1cncc([O-])c1 ZINC000620566241 349384663 /nfs/dbraw/zinc/38/46/63/349384663.db2.gz GXXNPHHVYCZCLF-CQSZACIVSA-N -1 1 276.380 3.362 20 0 CGADMM CO[C@](C)(c1nc(-c2ccc([O-])cc2Cl)no1)C1CC1 ZINC000291139509 197929587 /nfs/dbraw/zinc/92/95/87/197929587.db2.gz XQFLCWOBXRZHCO-AWEZNQCLSA-N -1 1 294.738 3.367 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCCC(F)(F)CC1 ZINC000628636511 350581512 /nfs/dbraw/zinc/58/15/12/350581512.db2.gz DXKMOJOJBZUFBZ-UHFFFAOYSA-N -1 1 289.709 3.307 20 0 CGADMM CC1(C)C[C@@H](C(=O)Nc2cccc(F)c2[O-])C(C)(C)O1 ZINC000628960361 350626262 /nfs/dbraw/zinc/62/62/62/350626262.db2.gz OJYLULJDKPHUTH-VIFPVBQESA-N -1 1 281.327 3.064 20 0 CGADMM Cc1cc(F)c(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)c(Cl)c1 ZINC000629773893 350766957 /nfs/dbraw/zinc/76/69/57/350766957.db2.gz SUZDIHWJRINWBL-MNOVXSKESA-N -1 1 299.773 3.330 20 0 CGADMM Cc1ncsc1CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023421 350926510 /nfs/dbraw/zinc/92/65/10/350926510.db2.gz QLLSMWOLCJQPQM-UHFFFAOYSA-N -1 1 293.417 3.425 20 0 CGADMM Cc1nc(SC[C@@H]2CC(C)(C)CO2)[n-]c(=O)c1C1CC1 ZINC000631023455 350926573 /nfs/dbraw/zinc/92/65/73/350926573.db2.gz RQRYPWMZQGSICG-NSHDSACASA-N -1 1 294.420 3.275 20 0 CGADMM Cc1ccc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)nc1 ZINC000631023952 350927699 /nfs/dbraw/zinc/92/76/99/350927699.db2.gz IIMDHWWEELFGEB-UHFFFAOYSA-N -1 1 287.388 3.364 20 0 CGADMM CC(C)CCCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630702694 350875338 /nfs/dbraw/zinc/87/53/38/350875338.db2.gz JSPHWNBQQQWACJ-UHFFFAOYSA-N -1 1 269.772 3.141 20 0 CGADMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CC(C)(C)C1 ZINC000633420633 351301577 /nfs/dbraw/zinc/30/15/77/351301577.db2.gz XOROOKSUOOBCEX-UHFFFAOYSA-N -1 1 281.783 3.235 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@@H](C2CCC2)C1 ZINC000633442012 351304416 /nfs/dbraw/zinc/30/44/16/351304416.db2.gz LQCHXKYMKYPRKQ-CYBMUJFWSA-N -1 1 293.794 3.237 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ncc(Cl)cc3Cl)c(=O)c21 ZINC000634583942 351524011 /nfs/dbraw/zinc/52/40/11/351524011.db2.gz MQKZGWVOFRXWLS-QUBYGPBYSA-N -1 1 284.146 3.137 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccccc3C(F)(F)F)c(=O)c21 ZINC000634584437 351524485 /nfs/dbraw/zinc/52/44/85/351524485.db2.gz BVZFOKVQDOYOLZ-PRHODGIISA-N -1 1 282.265 3.454 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3nc4ccccc4s3)c(=O)c21 ZINC000634585523 351525228 /nfs/dbraw/zinc/52/52/28/351525228.db2.gz JGSRHUZNQKNAIA-PRHODGIISA-N -1 1 271.345 3.045 20 0 CGADMM O=c1c2c([n-]n1Cc1cccc(F)c1)CCCCCC2 ZINC000634589768 351527892 /nfs/dbraw/zinc/52/78/92/351527892.db2.gz ICBWYJPTSAFUAB-CQSZACIVSA-N -1 1 274.339 3.494 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3cccc(C(F)(F)F)c3)c(=O)c21 ZINC000634593326 351529819 /nfs/dbraw/zinc/52/98/19/351529819.db2.gz LRFPRXRXCOQPBC-PELKAZGASA-N -1 1 282.265 3.454 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3nccc4sccc43)c(=O)c21 ZINC000634596686 351533451 /nfs/dbraw/zinc/53/34/51/351533451.db2.gz NNNYQPKKCLCJKY-PELKAZGASA-N -1 1 271.345 3.045 20 0 CGADMM O=C([O-])c1cccc(-n2[nH]c3c(c2=O)CCCCCC3)c1 ZINC000634598477 351534381 /nfs/dbraw/zinc/53/43/81/351534381.db2.gz LQQWJSAUFARDOP-ZDUSSCGKSA-N -1 1 286.331 3.058 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3cccc(Cl)c3)c(=O)c2C1 ZINC000634604873 351538832 /nfs/dbraw/zinc/53/88/32/351538832.db2.gz VKZBYZONQLSCQO-GXFFZTMASA-N -1 1 276.767 3.474 20 0 CGADMM COc1ccc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)cc1Cl ZINC000634614974 351543750 /nfs/dbraw/zinc/54/37/50/351543750.db2.gz UEGFSSNSOBLETR-ISVAXAHUSA-N -1 1 278.739 3.097 20 0 CGADMM O=c1c2c([n-]n1[C@H]1CCc3c1cccc3F)CCCC2 ZINC000634631757 351554161 /nfs/dbraw/zinc/55/41/61/351554161.db2.gz BPTVYCFUQNSMDX-DOMZBBRYSA-N -1 1 272.323 3.201 20 0 CGADMM CCN(CC(C)(C)C)C(=O)c1c(F)ccc([O-])c1F ZINC000292185695 198194791 /nfs/dbraw/zinc/19/47/91/198194791.db2.gz WEGACKZMWXMCDJ-UHFFFAOYSA-N -1 1 271.307 3.179 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC[C@H](Cc2ccccc2)C1 ZINC000154924261 188171104 /nfs/dbraw/zinc/17/11/04/188171104.db2.gz NVMVUFSRCCWYQL-CQSZACIVSA-N -1 1 299.345 3.236 20 0 CGADMM CC[C@H]1CC[C@H](C)N1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000336405547 213264178 /nfs/dbraw/zinc/26/41/78/213264178.db2.gz XNDSOKAZWMZHNG-ONGXEEELSA-N -1 1 297.782 3.457 20 0 CGADMM CCO[C@H](CC(=O)Nc1ccc(F)cc1[O-])C1=CCCC1 ZINC000340329780 215542102 /nfs/dbraw/zinc/54/21/02/215542102.db2.gz LDZHNDANTBUTGE-OAHLLOKOSA-N -1 1 293.338 3.375 20 0 CGADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cc(F)ccc2C)o1 ZINC000426793249 236315010 /nfs/dbraw/zinc/31/50/10/236315010.db2.gz MPHSUANSHDNUGR-AWEZNQCLSA-N -1 1 291.322 3.341 20 0 CGADMM CCCc1cc(C(=O)[N-]c2nc(C(C)(C)C)ns2)no1 ZINC000294623462 199111854 /nfs/dbraw/zinc/11/18/54/199111854.db2.gz PHPYGUAOQUUPAY-UHFFFAOYSA-N -1 1 294.380 3.028 20 0 CGADMM CSC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000294766549 199173130 /nfs/dbraw/zinc/17/31/30/199173130.db2.gz XUCWJBYRUYGECK-SNVBAGLBSA-N -1 1 299.823 3.261 20 0 CGADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@@H](C2CC2)O1 ZINC000294804448 199191560 /nfs/dbraw/zinc/19/15/60/199191560.db2.gz WDTMUQQKZDGNHL-YGRLFVJLSA-N -1 1 281.783 3.045 20 0 CGADMM Cn1ccc2ccc(NC(=O)c3cc(F)ccc3[O-])cc21 ZINC000436558004 237129534 /nfs/dbraw/zinc/12/95/34/237129534.db2.gz ZJPRNHYGQRFNKE-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc2ccccc2c1[O-] ZINC000436820892 237185387 /nfs/dbraw/zinc/18/53/87/237185387.db2.gz IPIBVMDQXUSCTG-NHAGDIPZSA-N -1 1 267.328 3.074 20 0 CGADMM O=C(NC1CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436763685 237178951 /nfs/dbraw/zinc/17/89/51/237178951.db2.gz MCPQWXYZXPJUAV-UHFFFAOYSA-N -1 1 273.254 3.083 20 0 CGADMM O=c1cc(C=Cc2cc(F)c([O-])c(F)c2)nc(C2CC2)[nH]1 ZINC000436934942 237219636 /nfs/dbraw/zinc/21/96/36/237219636.db2.gz UUYYMVDQSCNUPA-DAFODLJHSA-N -1 1 290.269 3.214 20 0 CGADMM C[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])C(F)(F)F ZINC000436958108 237223447 /nfs/dbraw/zinc/22/34/47/237223447.db2.gz ZICQVYAHKOMMRK-VIFPVBQESA-N -1 1 297.276 3.474 20 0 CGADMM COc1cc(NC(=O)c2ccccc2[O-])cc2cccnc21 ZINC000436862299 237197561 /nfs/dbraw/zinc/19/75/61/237197561.db2.gz FEDPFIKFBPGKOW-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM Cc1cc(C)cc(CN(C)C(=O)c2ccc([O-])cc2F)c1 ZINC000436904580 237207080 /nfs/dbraw/zinc/20/70/80/237207080.db2.gz XKSONSOGIPIMKU-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM Cc1ccccc1[C@@H](C)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000437007667 237232302 /nfs/dbraw/zinc/23/23/02/237232302.db2.gz WCAPCIKDZVGSBG-CYBMUJFWSA-N -1 1 297.354 3.103 20 0 CGADMM CCOc1cc(C(=O)N2CCCCCC2)cc(Cl)c1[O-] ZINC000298198546 200358075 /nfs/dbraw/zinc/35/80/75/200358075.db2.gz DPOWXJLSPJDLDQ-UHFFFAOYSA-N -1 1 297.782 3.461 20 0 CGADMM CC[C@H](O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000298199396 200358374 /nfs/dbraw/zinc/35/83/74/200358374.db2.gz ICQYBXYXPDKYGR-LBPRGKRZSA-N -1 1 290.388 3.021 20 0 CGADMM Cc1cccnc1[C@@H]([N-]C(=O)C(F)(F)C(F)F)C(C)C ZINC000176712721 189005666 /nfs/dbraw/zinc/00/56/66/189005666.db2.gz CKJKEPNAGUGYAF-VIFPVBQESA-N -1 1 292.276 3.104 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1F ZINC000438792775 238208382 /nfs/dbraw/zinc/20/83/82/238208382.db2.gz NPPKVDOHFIWQSI-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM COCCC[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182678961 189330781 /nfs/dbraw/zinc/33/07/81/189330781.db2.gz NLGFTNUXUITOLG-SECBINFHSA-N -1 1 271.744 3.047 20 0 CGADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccncc2C)c1 ZINC000120322762 370757372 /nfs/dbraw/zinc/75/73/72/370757372.db2.gz COWCYYYSBYJERM-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM [O-]c1cccc(CNc2cncc(F)c2)c1Cl ZINC000335661844 212379811 /nfs/dbraw/zinc/37/98/11/212379811.db2.gz WFKNIHFEBDTSJI-UHFFFAOYSA-N -1 1 252.676 3.192 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCCCCC(C)=O)n1 ZINC000450629388 240006958 /nfs/dbraw/zinc/00/69/58/240006958.db2.gz OLSGWCCKZKQKJU-UHFFFAOYSA-N -1 1 282.409 3.376 20 0 CGADMM Cc1nc(SC[C@@H]2CCC(F)(F)C2)[n-]c(=O)c1C ZINC000450903901 240143896 /nfs/dbraw/zinc/14/38/96/240143896.db2.gz MNFYGFUCYXADGE-SECBINFHSA-N -1 1 274.336 3.327 20 0 CGADMM CCC[C@H](CC)[N-]S(=O)(=O)c1sccc1Cl ZINC000451123584 240224245 /nfs/dbraw/zinc/22/42/45/240224245.db2.gz AWWFTYQZYSFWMY-QMMMGPOBSA-N -1 1 281.830 3.259 20 0 CGADMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000451432778 240300398 /nfs/dbraw/zinc/30/03/98/240300398.db2.gz LTUXQMLGEDUECD-JOYOIKCWSA-N -1 1 297.351 3.039 20 0 CGADMM Cc1cc([C@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)on1 ZINC000455618426 241296827 /nfs/dbraw/zinc/29/68/27/241296827.db2.gz IUKVYBABNRRRRB-CQSZACIVSA-N -1 1 286.331 3.018 20 0 CGADMM CCCc1cc(=O)[n-]c(SCC2(COC)CCC2)n1 ZINC000460870499 242285996 /nfs/dbraw/zinc/28/59/96/242285996.db2.gz KLBRURVYMRBKIQ-UHFFFAOYSA-N -1 1 282.409 3.044 20 0 CGADMM CC1=C(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCC1 ZINC000335510092 212193109 /nfs/dbraw/zinc/19/31/09/212193109.db2.gz CVIYKKIJDRXFHK-UHFFFAOYSA-N -1 1 283.331 3.221 20 0 CGADMM Cc1nc(S[C@H](C)c2ccccc2)[n-]c(=O)c1C ZINC000005155236 368562030 /nfs/dbraw/zinc/56/20/30/368562030.db2.gz KDMGEHJIWWUNHJ-LLVKDONJSA-N -1 1 260.362 3.240 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(C)c(C)c2)c([O-])c1 ZINC000016505972 368713387 /nfs/dbraw/zinc/71/33/87/368713387.db2.gz XXUOPUJFOJANCC-UHFFFAOYSA-N -1 1 271.316 3.270 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(Cl)cc2)c([O-])c1 ZINC000019839521 368771009 /nfs/dbraw/zinc/77/10/09/368771009.db2.gz MMNXDXFJNDIHMI-UHFFFAOYSA-N -1 1 277.707 3.307 20 0 CGADMM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1ncccc1[O-] ZINC000062017704 369614788 /nfs/dbraw/zinc/61/47/88/369614788.db2.gz NNBBSCFSBDCKEL-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM O=C([O-])[C@H](NCc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000062708752 369628548 /nfs/dbraw/zinc/62/85/48/369628548.db2.gz YBIGDJRXDRZZSF-CQSZACIVSA-N -1 1 295.260 3.019 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CCC2(CCC2)CC1 ZINC000367818014 296161994 /nfs/dbraw/zinc/16/19/94/296161994.db2.gz ZRSUVNJNMJHJEA-UHFFFAOYSA-N -1 1 281.302 3.077 20 0 CGADMM Cc1cc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])c(C)o1 ZINC000149091615 371526152 /nfs/dbraw/zinc/52/61/52/371526152.db2.gz KMIWGYVSZBMPID-SECBINFHSA-N -1 1 277.295 3.232 20 0 CGADMM O=C(N[C@@H]1CCCc2sccc21)c1ccc([O-])cc1F ZINC000137413001 371498165 /nfs/dbraw/zinc/49/81/65/371498165.db2.gz IWEGOIMHOJHEEO-CYBMUJFWSA-N -1 1 291.347 3.400 20 0 CGADMM CC[C@H]1C[C@H](NC(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000421663413 371597134 /nfs/dbraw/zinc/59/71/34/371597134.db2.gz OSYJMHCUIKPPPO-KGLIPLIRSA-N -1 1 299.370 3.233 20 0 CGADMM Cc1cc(=O)[n-]c([C@@H](C)Oc2ccc3c(c2)CCCC3=O)n1 ZINC000157091566 372006036 /nfs/dbraw/zinc/00/60/36/372006036.db2.gz MZVMVCGKMKOAHR-LLVKDONJSA-N -1 1 298.342 3.150 20 0 CGADMM C[C@H]1CCC[C@H](CNC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000290527134 372008932 /nfs/dbraw/zinc/00/89/32/372008932.db2.gz XWSVXPWLLGXZPU-UWVGGRQHSA-N -1 1 283.318 3.227 20 0 CGADMM O=C([N-]c1nncs1)c1occc1-c1ccc(F)cc1 ZINC000159242834 372121687 /nfs/dbraw/zinc/12/16/87/372121687.db2.gz LQYWZGZBUYHDQK-UHFFFAOYSA-N -1 1 289.291 3.190 20 0 CGADMM Cc1nnc([C@@H](C)NCc2cccc([O-])c2Cl)s1 ZINC000293336899 372359479 /nfs/dbraw/zinc/35/94/79/372359479.db2.gz SAFSZXAXSLYWIP-SSDOTTSWSA-N -1 1 283.784 3.056 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2ccc([O-])cc2F)CC12CCC2 ZINC000293617326 372425834 /nfs/dbraw/zinc/42/58/34/372425834.db2.gz BWEDOHLNVSHHHW-AWEZNQCLSA-N -1 1 277.339 3.182 20 0 CGADMM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000431584319 372487598 /nfs/dbraw/zinc/48/75/98/372487598.db2.gz IMRHAONANWEQKH-UHFFFAOYSA-N -1 1 291.363 3.068 20 0 CGADMM CC(C)(C)c1nc(CN2CCC[C@H](CC(=O)[O-])C2)cs1 ZINC000054299200 541881181 /nfs/dbraw/zinc/88/11/81/541881181.db2.gz WZOFPEDERNVRHK-LLVKDONJSA-N -1 1 296.436 3.127 20 0 CGADMM CCC[C@H]1CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000295365330 372751446 /nfs/dbraw/zinc/75/14/46/372751446.db2.gz NZVBRQXYNWVDBT-LBPRGKRZSA-N -1 1 269.772 3.047 20 0 CGADMM [O-]c1cccc(CN2CCC[C@@H]2C(F)F)c1Cl ZINC000353482520 220107618 /nfs/dbraw/zinc/10/76/18/220107618.db2.gz NCWGYPWWHWWKBR-SECBINFHSA-N -1 1 261.699 3.275 20 0 CGADMM Cc1nc(-c2ccc(N3CCC(C)CC3)nc2)[n-]c(=O)c1C ZINC000301177101 373683182 /nfs/dbraw/zinc/68/31/82/373683182.db2.gz MLSQJUPJUSDNHN-UHFFFAOYSA-N -1 1 298.390 3.097 20 0 CGADMM Cc1nc(-c2ccc(N3CCC[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000301178421 373685092 /nfs/dbraw/zinc/68/50/92/373685092.db2.gz NNQNOALMLXMNID-LLVKDONJSA-N -1 1 298.390 3.097 20 0 CGADMM CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000071264727 541895287 /nfs/dbraw/zinc/89/52/87/541895287.db2.gz ACNKHLHWCUCAEQ-CYBMUJFWSA-N -1 1 265.328 3.288 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1F ZINC000180465324 374010627 /nfs/dbraw/zinc/01/06/27/374010627.db2.gz HLFREHDLPZLOHC-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1ccc([O-])c(Cl)c1 ZINC000450288656 374042497 /nfs/dbraw/zinc/04/24/97/374042497.db2.gz ACBKBTNSCJMJHM-YWVKMMECSA-N -1 1 265.740 3.420 20 0 CGADMM CC(C)(C)C(C)(C)NC(=O)c1c([O-])cccc1F ZINC000310795450 374224902 /nfs/dbraw/zinc/22/49/02/374224902.db2.gz FMVZJFWCNMCLRW-UHFFFAOYSA-N -1 1 253.317 3.086 20 0 CGADMM Cc1nc(SCc2csc(C3CC3)n2)[n-]c(=O)c1C ZINC000331466299 374534886 /nfs/dbraw/zinc/53/48/86/374534886.db2.gz HNBJMUNJTQBPRO-UHFFFAOYSA-N -1 1 293.417 3.425 20 0 CGADMM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cncc([O-])c1 ZINC000334228633 206222472 /nfs/dbraw/zinc/22/24/72/206222472.db2.gz HCWAFQQIGJFBNY-UKRRQHHQSA-N -1 1 296.370 3.196 20 0 CGADMM CCCC1(C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000456778587 374619749 /nfs/dbraw/zinc/61/97/49/374619749.db2.gz HEQZCKXQNITNPY-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM CCC1(c2ccccc2)CN(C(=O)c2ccc([O-])cc2F)C1 ZINC000458209580 374721813 /nfs/dbraw/zinc/72/18/13/374721813.db2.gz DBCGMHCHDFMEDM-UHFFFAOYSA-N -1 1 299.345 3.335 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCCc2cc(F)ccc21 ZINC000181892262 296221960 /nfs/dbraw/zinc/22/19/60/296221960.db2.gz LGURCFPZTBXORW-UHFFFAOYSA-N -1 1 289.281 3.263 20 0 CGADMM CC(C)(C)CC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463666630 374847070 /nfs/dbraw/zinc/84/70/70/374847070.db2.gz QXXZMXMKQVAPBN-UHFFFAOYSA-N -1 1 293.791 3.194 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccn(C2CCCC2)n1 ZINC000334255647 206265745 /nfs/dbraw/zinc/26/57/45/206265745.db2.gz LPETVGBCCVYNRL-UHFFFAOYSA-N -1 1 289.310 3.095 20 0 CGADMM CCOc1cc(C(=O)NCC2(CC)CC2)cc(Cl)c1[O-] ZINC000186852730 374928838 /nfs/dbraw/zinc/92/88/38/374928838.db2.gz UIZBYEOBUDZADN-UHFFFAOYSA-N -1 1 297.782 3.364 20 0 CGADMM O=C(CC1=CCCCC1)Nc1ccc([O-])c(F)c1F ZINC000335020487 375074410 /nfs/dbraw/zinc/07/44/10/375074410.db2.gz CCWUCIWSTIZHDV-UHFFFAOYSA-N -1 1 267.275 3.499 20 0 CGADMM COC(=O)c1c[n-]c(SCc2cc(C)cc(C)c2)n1 ZINC000187582967 375048691 /nfs/dbraw/zinc/04/86/91/375048691.db2.gz CKLNUKXJONKSAU-UHFFFAOYSA-N -1 1 276.361 3.105 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H](C)c2cccc(C)c2)n1 ZINC000187587087 375050557 /nfs/dbraw/zinc/05/05/57/375050557.db2.gz CVTSMIVWPXVVME-JTQLQIEISA-N -1 1 276.361 3.358 20 0 CGADMM CCC1CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000335080909 375114928 /nfs/dbraw/zinc/11/49/28/375114928.db2.gz YYGYKMJPNPXORG-UHFFFAOYSA-N -1 1 255.317 3.027 20 0 CGADMM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1c(F)ccc([O-])c1F ZINC000335093864 375126020 /nfs/dbraw/zinc/12/60/20/375126020.db2.gz DJQQBWLUELBHNR-WDEREUQCSA-N -1 1 295.329 3.369 20 0 CGADMM Cc1oc(C2CC2)nc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335216955 375236268 /nfs/dbraw/zinc/23/62/68/375236268.db2.gz OIZKUTIZQPGEFE-UHFFFAOYSA-N -1 1 294.257 3.097 20 0 CGADMM C[C@@H]1CCN(Cc2cccc(Cl)c2F)C[C@H]1C(=O)[O-] ZINC000335420713 375278392 /nfs/dbraw/zinc/27/83/92/375278392.db2.gz DFUNEJGEDUNRII-MWLCHTKSSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@H]1CCN(Cc2ccc(Cl)cc2F)C[C@H]1C(=O)[O-] ZINC000335426155 375286085 /nfs/dbraw/zinc/28/60/85/375286085.db2.gz ZFTFWZPRRSKTJO-JOYOIKCWSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@@H]1CCN(Cc2cc(Cl)ccc2F)C[C@H]1C(=O)[O-] ZINC000335445637 375299823 /nfs/dbraw/zinc/29/98/23/375299823.db2.gz YBRIEIGFLSGILE-BXKDBHETSA-N -1 1 285.746 3.022 20 0 CGADMM Cc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cc1F ZINC000335802986 375443055 /nfs/dbraw/zinc/44/30/55/375443055.db2.gz KTDUQVYFRWUSDO-UHFFFAOYSA-N -1 1 295.260 3.048 20 0 CGADMM CCOc1cc(C(=O)N2C[C@@H](C)C[C@@H]2C)cc(Cl)c1[O-] ZINC000335815096 375452637 /nfs/dbraw/zinc/45/26/37/375452637.db2.gz TZZPIIFHTXZNDS-UWVGGRQHSA-N -1 1 297.782 3.315 20 0 CGADMM CC(C)c1ccccc1N(C)C(=O)c1cncc([O-])c1 ZINC000335882355 375511040 /nfs/dbraw/zinc/51/10/40/375511040.db2.gz OMRCICSJQZNLEL-UHFFFAOYSA-N -1 1 270.332 3.187 20 0 CGADMM COC(=O)c1c[n-]c(SCCCc2ccc(C)cc2)n1 ZINC000193549734 375892436 /nfs/dbraw/zinc/89/24/36/375892436.db2.gz NXFYMHUFMJCNMN-UHFFFAOYSA-N -1 1 290.388 3.230 20 0 CGADMM CC(C)CCn1nccc1NC(=O)c1cc(F)ccc1[O-] ZINC000536690713 376123155 /nfs/dbraw/zinc/12/31/55/376123155.db2.gz XBTMWDPLLMLGDV-UHFFFAOYSA-N -1 1 291.326 3.026 20 0 CGADMM O=C([N-][C@H]1CCSc2ccccc21)C(F)(F)C(F)F ZINC000226598614 376366839 /nfs/dbraw/zinc/36/68/39/376366839.db2.gz FDXCLEFDXTUTQV-QMMMGPOBSA-N -1 1 293.285 3.240 20 0 CGADMM Cc1ccc(CC(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000543745784 376673218 /nfs/dbraw/zinc/67/32/18/376673218.db2.gz RTMSQGJGEABMGU-UHFFFAOYSA-N -1 1 265.696 3.128 20 0 CGADMM CCC[C@@H]1CCCC[C@H]1N=c1nc([C@H](C)OC)[n-]s1 ZINC000558687458 377032499 /nfs/dbraw/zinc/03/24/99/377032499.db2.gz CHXLKGLYBUQVNH-QJPTWQEYSA-N -1 1 283.441 3.438 20 0 CGADMM COc1ccccc1CCC(=O)Nc1ccc(F)cc1[O-] ZINC000340327356 377003190 /nfs/dbraw/zinc/00/31/90/377003190.db2.gz HGXUPJOUQPUCBA-UHFFFAOYSA-N -1 1 289.306 3.111 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CSc2ccccc21 ZINC000340326699 377003253 /nfs/dbraw/zinc/00/32/53/377003253.db2.gz AFJMBNONPPRPDY-LLVKDONJSA-N -1 1 289.331 3.359 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000340330069 377007257 /nfs/dbraw/zinc/00/72/57/377007257.db2.gz NYBUZUOJBVJTHR-OLZOCXBDSA-N -1 1 289.281 3.413 20 0 CGADMM [O-]c1cccnc1CN1CCc2c(Cl)cc(F)cc2C1 ZINC000560148900 377126053 /nfs/dbraw/zinc/12/60/53/377126053.db2.gz CWKRTVAIRWTWOM-UHFFFAOYSA-N -1 1 292.741 3.138 20 0 CGADMM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000559814756 377101072 /nfs/dbraw/zinc/10/10/72/377101072.db2.gz RZDZDKUTWRZCFG-CYBMUJFWSA-N -1 1 288.322 3.361 20 0 CGADMM COCc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000341230463 377457861 /nfs/dbraw/zinc/45/78/61/377457861.db2.gz SRDQQRRTFZGAML-UHFFFAOYSA-N -1 1 293.269 3.069 20 0 CGADMM COc1cccc([C@@H](C)Sc2ncc(C)c(=O)[n-]2)c1 ZINC000563440744 377466722 /nfs/dbraw/zinc/46/67/22/377466722.db2.gz ROYFKABWZDOLLB-SNVBAGLBSA-N -1 1 276.361 3.353 20 0 CGADMM CC[C@H](F)CN1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000563456530 377470952 /nfs/dbraw/zinc/47/09/52/377470952.db2.gz WAFMGFLMAPLJBN-IHRRRGAJSA-N -1 1 265.328 3.025 20 0 CGADMM Cc1cccc2c1N(C(=O)c1cc(F)ccc1[O-])CC2 ZINC000092227587 249032832 /nfs/dbraw/zinc/03/28/32/249032832.db2.gz YHVPYRSGPNGNQI-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM O=C([O-])C[C@@H]1CCCCN1Cc1cc(Cl)ccc1F ZINC000165671461 542172361 /nfs/dbraw/zinc/17/23/61/542172361.db2.gz XOKYKVMUMRUWPY-LBPRGKRZSA-N -1 1 285.746 3.308 20 0 CGADMM Cc1cccc(CSc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000518061679 249275773 /nfs/dbraw/zinc/27/57/73/249275773.db2.gz MJRCKTXNXJENLE-UHFFFAOYSA-N -1 1 273.361 3.055 20 0 CGADMM CCC(CC)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000343018276 377883094 /nfs/dbraw/zinc/88/30/94/377883094.db2.gz VUPFRPQIQNPINB-UHFFFAOYSA-N -1 1 273.336 3.157 20 0 CGADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2c(F)cccc2Cl)C1 ZINC000263138265 377920316 /nfs/dbraw/zinc/92/03/16/377920316.db2.gz DJZMARHQRFLQMD-VHSXEESVSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@@H](CN(C)Cc1csc(C2CCCCC2)n1)C(=O)[O-] ZINC000263343541 377927668 /nfs/dbraw/zinc/92/76/68/377927668.db2.gz OALWVXGWGHEQJM-NSHDSACASA-N -1 1 296.436 3.343 20 0 CGADMM Oc1cccnc1C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000577823166 378014824 /nfs/dbraw/zinc/01/48/24/378014824.db2.gz IRECJDJMHNVUOS-OAHLLOKOSA-N -1 1 270.332 3.107 20 0 CGADMM Cc1ccc(OCCN(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000579484652 378165177 /nfs/dbraw/zinc/16/51/77/378165177.db2.gz SEXJTXRARFOSQF-QGZVFWFLSA-N -1 1 299.370 3.132 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000345268131 378239116 /nfs/dbraw/zinc/23/91/16/378239116.db2.gz OLWXSLDAVGGZSR-CMPLNLGQSA-N -1 1 285.347 3.157 20 0 CGADMM C[C@H]1CO[C@H](c2ccccc2)CN1CCCCCC(=O)[O-] ZINC000582186498 378291796 /nfs/dbraw/zinc/29/17/96/378291796.db2.gz DSGOSJJMHWEFDI-HOCLYGCPSA-N -1 1 291.391 3.093 20 0 CGADMM CCN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1 ZINC000583505235 378327642 /nfs/dbraw/zinc/32/76/42/378327642.db2.gz XKQJPBSTVAMBHN-UHFFFAOYSA-N -1 1 286.331 3.024 20 0 CGADMM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cncc([O-])c1 ZINC000346601961 217958858 /nfs/dbraw/zinc/95/88/58/217958858.db2.gz LEXOBGZQGLRTNX-CYBMUJFWSA-N -1 1 298.386 3.273 20 0 CGADMM CCc1ccc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])o1 ZINC000277322600 379131089 /nfs/dbraw/zinc/13/10/89/379131089.db2.gz OAEIFPICOHSOMI-LRDDRELGSA-N -1 1 287.359 3.394 20 0 CGADMM Cc1nc(SCc2ccncc2Cl)[n-]c(=O)c1C ZINC000349842151 379419207 /nfs/dbraw/zinc/41/92/07/379419207.db2.gz ZUFNUWUPWRHKHE-UHFFFAOYSA-N -1 1 281.768 3.140 20 0 CGADMM CCSCCCc1noc(-c2ccc(OC)cc2[O-])n1 ZINC000350981461 379621185 /nfs/dbraw/zinc/62/11/85/379621185.db2.gz GXIAYATYDSXSDC-UHFFFAOYSA-N -1 1 294.376 3.137 20 0 CGADMM CCC(C)(C)OCc1nc(-c2ccc([O-])cc2F)no1 ZINC000351215763 379680994 /nfs/dbraw/zinc/68/09/94/379680994.db2.gz IKWMOJZQVMAKQA-UHFFFAOYSA-N -1 1 280.299 3.287 20 0 CGADMM O=C(N=c1[n-]sc2ccccc21)N1CC[C@H]2CCC[C@@H]21 ZINC000640338684 379770615 /nfs/dbraw/zinc/77/06/15/379770615.db2.gz GDMFIDBPCRBVAE-PWSUYJOCSA-N -1 1 287.388 3.125 20 0 CGADMM CCC1(CC)CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000408108719 379995271 /nfs/dbraw/zinc/99/52/71/379995271.db2.gz UKXHZKRJUGDGJK-UHFFFAOYSA-N -1 1 276.380 3.138 20 0 CGADMM C/C=C\C[C@H](NCc1cccc([O-])c1Cl)C(=O)OCC ZINC000353201069 380165061 /nfs/dbraw/zinc/16/50/61/380165061.db2.gz DZVIPJGSLUCVGA-FHMRSRPSSA-N -1 1 297.782 3.033 20 0 CGADMM C[C@H]1CCCC[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000644689214 380484705 /nfs/dbraw/zinc/48/47/05/380484705.db2.gz UBLSLLCSLHNILB-UWVGGRQHSA-N -1 1 251.301 3.296 20 0 CGADMM COc1cccnc1NCc1cccc([O-])c1Cl ZINC000645171198 380603777 /nfs/dbraw/zinc/60/37/77/380603777.db2.gz GCGMJUKZROLSCD-UHFFFAOYSA-N -1 1 264.712 3.061 20 0 CGADMM CC(C)[C@H]1C[C@H](NC(=O)c2cncc([O-])c2)c2ccccc21 ZINC000355483269 380682517 /nfs/dbraw/zinc/68/25/17/380682517.db2.gz ZJJKGYSUDOXYLM-SJORKVTESA-N -1 1 296.370 3.402 20 0 CGADMM O=C([N-]C1(c2cccc(C(F)(F)F)c2)CCC1)C(F)F ZINC000279174625 194317396 /nfs/dbraw/zinc/31/73/96/194317396.db2.gz LHHZZDJPOYCZAV-UHFFFAOYSA-N -1 1 293.235 3.466 20 0 CGADMM CC(C)O[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000335391167 208355385 /nfs/dbraw/zinc/35/53/85/208355385.db2.gz BCDSLGQRYXJHBN-OAHLLOKOSA-N -1 1 299.370 3.185 20 0 CGADMM CC(F)(F)C(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000289274073 197281909 /nfs/dbraw/zinc/28/19/09/197281909.db2.gz RTBVUCNWNWDYEJ-UHFFFAOYSA-N -1 1 283.652 3.203 20 0 CGADMM C[C@@H]1C[C@H](C)[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)O1 ZINC000289067805 197226934 /nfs/dbraw/zinc/22/69/34/197226934.db2.gz MAYXOUVEKUVYMS-JOAULVNJSA-N -1 1 278.283 3.067 20 0 CGADMM CC(F)(F)C(=O)[N-]Cc1cc(Cl)ccc1OC(F)F ZINC000289053835 197222468 /nfs/dbraw/zinc/22/24/68/197222468.db2.gz AJOXGXRMKVNKMW-UHFFFAOYSA-N -1 1 299.651 3.213 20 0 CGADMM O=C([O-])c1cccc(CN2CCC[C@H](C(F)(F)F)C2)c1 ZINC000088431536 304260056 /nfs/dbraw/zinc/26/00/56/304260056.db2.gz GRTWSDQTDWNLFH-LBPRGKRZSA-N -1 1 287.281 3.159 20 0 CGADMM Cc1ccc2oc(-c3nc4ccc(O)cc4c(=O)[n-]3)cc2c1 ZINC000358125434 542576916 /nfs/dbraw/zinc/57/69/16/542576916.db2.gz MPWKAGZXCCCUOO-UHFFFAOYSA-N -1 1 292.294 3.350 20 0 CGADMM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCCCC(=O)[O-] ZINC000248372592 288394587 /nfs/dbraw/zinc/39/45/87/288394587.db2.gz AXRKCCUZXLNUBP-CPUCHLNUSA-N -1 1 291.391 3.092 20 0 CGADMM CC(=O)c1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1Cl ZINC000432501096 542653565 /nfs/dbraw/zinc/65/35/65/542653565.db2.gz OYQIANXACCOAEY-UHFFFAOYSA-N -1 1 299.717 3.253 20 0 CGADMM Cc1cccc2nc(-c3cnn(C(C)(C)C)c3)[n-]c(=O)c12 ZINC000441365105 542665223 /nfs/dbraw/zinc/66/52/23/542665223.db2.gz JYPOLKLGHPRPFD-UHFFFAOYSA-N -1 1 282.347 3.262 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000246014162 131090244 /nfs/dbraw/zinc/09/02/44/131090244.db2.gz SFAIGXQYEJNDBH-GDGBQDQQSA-N -1 1 251.713 3.030 20 0 CGADMM CC[C@@H](C)CC(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000361998327 392383335 /nfs/dbraw/zinc/38/33/35/392383335.db2.gz CIRKAVRAKYLTON-SECBINFHSA-N -1 1 293.317 3.152 20 0 CGADMM C[C@]1(c2ccccc2)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000364052265 392433697 /nfs/dbraw/zinc/43/36/97/392433697.db2.gz BGUOTYOGTAEEBV-SFHVURJKSA-N -1 1 299.345 3.335 20 0 CGADMM COc1cc(OC)cc(-c2nc3cccc(C)c3c(=O)[n-]2)c1 ZINC000478226302 542705283 /nfs/dbraw/zinc/70/52/83/542705283.db2.gz BYNAGODZSZJSRE-UHFFFAOYSA-N -1 1 296.326 3.328 20 0 CGADMM C[C@]1(C(=O)Nc2ccc([O-])c(F)c2F)CC=CCC1 ZINC000335221371 392783254 /nfs/dbraw/zinc/78/32/54/392783254.db2.gz XNJLKHBVSOPPDW-AWEZNQCLSA-N -1 1 267.275 3.355 20 0 CGADMM CO[C@@H](CN1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000379301984 392902878 /nfs/dbraw/zinc/90/28/78/392902878.db2.gz ZLLCTLYPCLISGM-KRWDZBQOSA-N -1 1 297.354 3.088 20 0 CGADMM Cc1ccc(-c2nc(CN(C)[C@@H](C)CC(=O)[O-])cs2)o1 ZINC000519644655 392877755 /nfs/dbraw/zinc/87/77/55/392877755.db2.gz IMJBEILZPIWNFJ-VIFPVBQESA-N -1 1 294.376 3.007 20 0 CGADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416295215 393295211 /nfs/dbraw/zinc/29/52/11/393295211.db2.gz SVYAEDOTGXOESH-NWDGAFQWSA-N -1 1 276.380 3.074 20 0 CGADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416295217 393295406 /nfs/dbraw/zinc/29/54/06/393295406.db2.gz SVYAEDOTGXOESH-VXGBXAGGSA-N -1 1 276.380 3.074 20 0 CGADMM CC1(CC(F)F)CN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000649020790 393323630 /nfs/dbraw/zinc/32/36/30/393323630.db2.gz CLMKIQIQWZKJQT-UHFFFAOYSA-N -1 1 289.709 3.163 20 0 CGADMM CC(C)c1nc(=NC[C@@H]2CCCCC(F)(F)C2)o[n-]1 ZINC000488447486 393517064 /nfs/dbraw/zinc/51/70/64/393517064.db2.gz JMPBEKCYVRHCAB-SNVBAGLBSA-N -1 1 273.327 3.242 20 0 CGADMM Cc1c(=O)[n-]c(SCc2cn[nH]c2)nc1-c1ccccc1 ZINC000430087664 393519569 /nfs/dbraw/zinc/51/95/69/393519569.db2.gz DWMPXOJCUJNGCD-UHFFFAOYSA-N -1 1 298.371 3.173 20 0 CGADMM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000360887798 393608339 /nfs/dbraw/zinc/60/83/39/393608339.db2.gz LGRYAOKSKLWVIV-ZJUUUORDSA-N -1 1 291.363 3.068 20 0 CGADMM [O-]c1ccc(-c2noc(Cc3ccsc3)n2)cc1F ZINC000445480872 393798939 /nfs/dbraw/zinc/79/89/39/393798939.db2.gz LJQSIWRUYCBFOQ-UHFFFAOYSA-N -1 1 276.292 3.234 20 0 CGADMM CC[C@@H]1CCC[C@@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000452526489 394078945 /nfs/dbraw/zinc/07/89/45/394078945.db2.gz KAHVTUCOHWQHJU-NXEZZACHSA-N -1 1 283.318 3.227 20 0 CGADMM Cc1nc(C(=O)[N-]c2c(C)noc2-c2ccccc2)co1 ZINC000670372229 543151826 /nfs/dbraw/zinc/15/18/26/543151826.db2.gz KMNJQPCLDVWIBE-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000677892057 543471059 /nfs/dbraw/zinc/47/10/59/543471059.db2.gz TWFRYYYYHTYPFU-QMMMGPOBSA-N -1 1 291.326 3.004 20 0 CGADMM CCC[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccn1 ZINC000678310293 543513456 /nfs/dbraw/zinc/51/34/56/543513456.db2.gz IKEDTGNLYXEBEG-AWEZNQCLSA-N -1 1 288.322 3.198 20 0 CGADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180706931 300062934 /nfs/dbraw/zinc/06/29/34/300062934.db2.gz KFRHHLZKKLAWEL-IUCAKERBSA-N -1 1 287.281 3.424 20 0 CGADMM Cc1cccc(CN(C)C(=O)c2cc(Cl)ccc2[O-])n1 ZINC000078026709 165126038 /nfs/dbraw/zinc/12/60/38/165126038.db2.gz XAEHQNIXQWSXIL-UHFFFAOYSA-N -1 1 290.750 3.021 20 0 CGADMM CCN(C(=O)c1cc(NC(C)=O)ccc1[O-])c1ccccc1 ZINC000121811522 287203623 /nfs/dbraw/zinc/20/36/23/287203623.db2.gz NZBLVXPUKFZEDI-UHFFFAOYSA-N -1 1 298.342 3.017 20 0 CGADMM O=C(NCc1ccccc1F)c1cc(Cl)ccc1[O-] ZINC000007755497 170300954 /nfs/dbraw/zinc/30/09/54/170300954.db2.gz MIBVQUPFUOUXIB-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM Cc1nc(SCc2ccccc2Cl)[n-]c(=O)c1C ZINC000009941019 170391612 /nfs/dbraw/zinc/39/16/12/170391612.db2.gz TYZBCPHYTMOOJE-UHFFFAOYSA-N -1 1 280.780 3.332 20 0 CGADMM CC(C)CN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000035221373 172063860 /nfs/dbraw/zinc/06/38/60/172063860.db2.gz MFRCNSOCANNBCY-UHFFFAOYSA-N -1 1 257.333 3.273 20 0 CGADMM Cc1ccc(O[C@@H](C)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000078807108 177391248 /nfs/dbraw/zinc/39/12/48/177391248.db2.gz CWGVODQQAISXFN-NSHDSACASA-N -1 1 289.306 3.246 20 0 CGADMM CC[C@H]1CN(Cc2cccc([O-])c2Cl)[C@@H](C)CO1 ZINC000403755403 416549461 /nfs/dbraw/zinc/54/94/61/416549461.db2.gz DDKQZXJALQTVCH-JQWIXIFHSA-N -1 1 269.772 3.045 20 0 CGADMM CC[C@@H]1CN(Cc2cccc([O-])c2Cl)[C@H](CC)CO1 ZINC000403847709 416549738 /nfs/dbraw/zinc/54/97/38/416549738.db2.gz RDBFZYLUXVNDBY-CHWSQXEVSA-N -1 1 283.799 3.435 20 0 CGADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])CCc2ccccc21 ZINC000404805939 416556100 /nfs/dbraw/zinc/55/61/00/416556100.db2.gz YGBCDQBFMHNMGD-LBPRGKRZSA-N -1 1 299.345 3.333 20 0 CGADMM CC(C)CC[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681014198 543756532 /nfs/dbraw/zinc/75/65/32/543756532.db2.gz HIELGIFGLCNMHD-SNVBAGLBSA-N -1 1 253.317 3.086 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N(Cc1cccs1)C1CC1 ZINC000681017448 543757481 /nfs/dbraw/zinc/75/74/81/543757481.db2.gz YZZWVMMSNDKIFL-UHFFFAOYSA-N -1 1 291.347 3.398 20 0 CGADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC000681021796 543758857 /nfs/dbraw/zinc/75/88/57/543758857.db2.gz ZTKFBFDCBGPARL-OAHLLOKOSA-N -1 1 285.318 3.257 20 0 CGADMM CC(C)(NC(=O)c1ccc([O-])c(F)c1)c1cccc(F)c1 ZINC000681047375 543760140 /nfs/dbraw/zinc/76/01/40/543760140.db2.gz BUWNQXUQNBJMJI-UHFFFAOYSA-N -1 1 291.297 3.336 20 0 CGADMM O=C(Nc1nc2ccsc2s1)c1ccc([O-])c(F)c1 ZINC000681048334 543760146 /nfs/dbraw/zinc/76/01/46/543760146.db2.gz SWCZSAQJJBBWJV-UHFFFAOYSA-N -1 1 294.332 3.455 20 0 CGADMM O=C(NC[C@@H]1CCc2ccccc2C1)c1ccc([O-])c(F)c1 ZINC000681046875 543760454 /nfs/dbraw/zinc/76/04/54/543760454.db2.gz FBTXVMDJETUCSX-GFCCVEGCSA-N -1 1 299.345 3.066 20 0 CGADMM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681050308 543761346 /nfs/dbraw/zinc/76/13/46/543761346.db2.gz MATPHSOZQUINST-VHSXEESVSA-N -1 1 253.317 3.086 20 0 CGADMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc([O-])c(F)c1 ZINC000681051102 543761506 /nfs/dbraw/zinc/76/15/06/543761506.db2.gz SDBYIXOAMBRZIF-NTZNESFSSA-N -1 1 277.339 3.230 20 0 CGADMM O=C(NCc1ccc(C(F)F)cc1)c1ccc([O-])c(F)c1 ZINC000681069890 543763082 /nfs/dbraw/zinc/76/30/82/543763082.db2.gz OSHZMENQNPQAKP-UHFFFAOYSA-N -1 1 295.260 3.399 20 0 CGADMM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681069798 543763375 /nfs/dbraw/zinc/76/33/75/543763375.db2.gz MGRCOHURJJGRBG-LLVKDONJSA-N -1 1 265.328 3.040 20 0 CGADMM CCCCn1cc(C(=O)Nc2c([O-])cccc2F)c(C)n1 ZINC000681197985 543773374 /nfs/dbraw/zinc/77/33/74/543773374.db2.gz ZHBVMAHBNBNBQC-UHFFFAOYSA-N -1 1 291.326 3.089 20 0 CGADMM CCC[C@@H](NC(=O)c1c([O-])cccc1F)c1ccccn1 ZINC000681229510 543775486 /nfs/dbraw/zinc/77/54/86/543775486.db2.gz KFVVJFXKIIZMQD-CYBMUJFWSA-N -1 1 288.322 3.198 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)[C@H]1C ZINC000131447837 287380358 /nfs/dbraw/zinc/38/03/58/287380358.db2.gz OFRFYAOMBCDBQT-BDAKNGLRSA-N -1 1 298.180 3.025 20 0 CGADMM CC(C)(C)OCCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000683455288 543915546 /nfs/dbraw/zinc/91/55/46/543915546.db2.gz SZJPEOVDGNLBOL-UHFFFAOYSA-N -1 1 282.409 3.357 20 0 CGADMM [O-]c1ccc(-c2noc(C3(C(F)(F)F)CC3)n2)cc1F ZINC000683593503 543927932 /nfs/dbraw/zinc/92/79/32/543927932.db2.gz LDHWZGKJVKQCMN-UHFFFAOYSA-N -1 1 288.200 3.175 20 0 CGADMM COc1cc(NC(=O)c2ccc([O-])c(F)c2)c(C)cc1C ZINC000684530099 544011693 /nfs/dbraw/zinc/01/16/93/544011693.db2.gz BDTTWNGELAPCDS-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1Cc2ccc(F)cc21 ZINC000684464838 544004987 /nfs/dbraw/zinc/00/49/87/544004987.db2.gz CIGFEBJKIWNFAK-GFCCVEGCSA-N -1 1 291.709 3.463 20 0 CGADMM O=C(Nc1cccc(-c2ncco2)c1)c1ccc(O)cc1[O-] ZINC000150910664 287502251 /nfs/dbraw/zinc/50/22/51/287502251.db2.gz JEHRYQHYQAVHFS-UHFFFAOYSA-N -1 1 296.282 3.005 20 0 CGADMM O=C([O-])c1coc(CN2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000652398426 418961854 /nfs/dbraw/zinc/96/18/54/418961854.db2.gz BFARZYPCLNGPTM-OAHLLOKOSA-N -1 1 289.306 3.454 20 0 CGADMM CC[C@](C)(C(=O)[O-])N(Cc1cc(C2CC2)no1)CC1CC1 ZINC000659792524 418991244 /nfs/dbraw/zinc/99/12/44/418991244.db2.gz CWESNKKWIFNTTI-MRXNPFEDSA-N -1 1 292.379 3.017 20 0 CGADMM CCC(CC)CCCN(C)Cc1nc(C(=O)[O-])cs1 ZINC000659801884 418994049 /nfs/dbraw/zinc/99/40/49/418994049.db2.gz MBEYTWMBMLUEEO-UHFFFAOYSA-N -1 1 284.425 3.490 20 0 CGADMM O=C(NC1CC2(CCC2)C1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000652969175 419005023 /nfs/dbraw/zinc/00/50/23/419005023.db2.gz QIONDMGDXXMJKW-UHFFFAOYSA-N -1 1 299.292 3.474 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CN(CC(=O)[O-])CC(C)(C)C)o1 ZINC000665349924 419114966 /nfs/dbraw/zinc/11/49/66/419114966.db2.gz ZBMGKKBVXDBNIG-YPMHNXCESA-N -1 1 279.380 3.336 20 0 CGADMM CC(C)[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C1CC1 ZINC000660044256 419067552 /nfs/dbraw/zinc/06/75/52/419067552.db2.gz OCWHAFMIUMRBQW-SNVBAGLBSA-N -1 1 293.841 3.114 20 0 CGADMM Cc1ccc2c(c1)CN([C@@H](C)c1ccc(C(=O)[O-])o1)CC2 ZINC000656758622 419210965 /nfs/dbraw/zinc/21/09/65/419210965.db2.gz JGMXROWJZAKRNB-LBPRGKRZSA-N -1 1 285.343 3.406 20 0 CGADMM CCC1(CC)CCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000656763280 419212281 /nfs/dbraw/zinc/21/22/81/419212281.db2.gz MDFYKERPTYWIPC-UHFFFAOYSA-N -1 1 282.409 3.244 20 0 CGADMM O=C([O-])C1(c2cccc(-c3cc(C(F)(F)F)n[nH]3)c2)CC1 ZINC000657203387 419230771 /nfs/dbraw/zinc/23/07/71/419230771.db2.gz UMEOYZGRMKKFOQ-UHFFFAOYSA-N -1 1 296.248 3.212 20 0 CGADMM C[C@H](Cc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1)C(=O)[O-] ZINC000657203402 419230787 /nfs/dbraw/zinc/23/07/87/419230787.db2.gz VJDWLLKKKVMZOS-MRVPVSSYSA-N -1 1 298.264 3.359 20 0 CGADMM Cc1nc(SCCOCc2ccccc2)[n-]c(=O)c1C ZINC000657255180 419237834 /nfs/dbraw/zinc/23/78/34/419237834.db2.gz LYPFQRSAOHTEDA-UHFFFAOYSA-N -1 1 290.388 3.108 20 0 CGADMM CC(C)(NC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000227508172 287638083 /nfs/dbraw/zinc/63/80/83/287638083.db2.gz DRARUZAWYCDBKO-UHFFFAOYSA-N -1 1 269.344 3.464 20 0 CGADMM Cc1ccc2nc(-c3ccc(Cl)o3)[n-]c(=O)c2c1 ZINC000180058061 260091602 /nfs/dbraw/zinc/09/16/02/260091602.db2.gz CTSZOOHNHXDBOH-UHFFFAOYSA-N -1 1 260.680 3.145 20 0 CGADMM CC(C)c1nc(=N[C@H]2CCC[C@H](C(C)C)C2)o[n-]1 ZINC000524241710 260338776 /nfs/dbraw/zinc/33/87/76/260338776.db2.gz FPPLYLXEFUBCHI-RYUDHWBXSA-N -1 1 251.374 3.242 20 0 CGADMM CC1(C)SC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000393822927 262219153 /nfs/dbraw/zinc/21/91/53/262219153.db2.gz UZRLDXQMKPMKDA-CQSZACIVSA-N -1 1 287.384 3.169 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccccc3)no2)c(F)c1 ZINC000186093653 262311415 /nfs/dbraw/zinc/31/14/15/262311415.db2.gz KDMMRXAUHGSXDB-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM O=C(NC[C@@H]1CC=CCC1)c1cc(Cl)ccc1[O-] ZINC000044569340 270037088 /nfs/dbraw/zinc/03/70/88/270037088.db2.gz AXORAUTZXUJECI-SNVBAGLBSA-N -1 1 265.740 3.132 20 0 CGADMM CCCN(CC1CCCCC1)C(=O)c1ncccc1[O-] ZINC000171268373 270052937 /nfs/dbraw/zinc/05/29/37/270052937.db2.gz PCQWJEDVJMQEGJ-UHFFFAOYSA-N -1 1 276.380 3.220 20 0 CGADMM Cc1cccc(Cc2noc(-c3ccc([O-])cc3F)n2)c1 ZINC000230228822 270088691 /nfs/dbraw/zinc/08/86/91/270088691.db2.gz RPJVAXPOWQLTFH-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM CC(C)(C)n1cc(-c2nc3ccc(F)cc3c(=O)[n-]2)cn1 ZINC000532737650 270219097 /nfs/dbraw/zinc/21/90/97/270219097.db2.gz RESCJMOKGUAXDO-UHFFFAOYSA-N -1 1 286.310 3.093 20 0 CGADMM CC1(C)CCC(NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000280934054 278199748 /nfs/dbraw/zinc/19/97/48/278199748.db2.gz KTVQREGXYKSETR-UHFFFAOYSA-N -1 1 283.318 3.369 20 0 CGADMM C[C@@H]1[C@H](C)CN(C(=O)c2ccc(Cl)cc2[O-])[C@H]1C ZINC000399559550 288052543 /nfs/dbraw/zinc/05/25/43/288052543.db2.gz LACZQSFERNWPGP-BBBLOLIVSA-N -1 1 267.756 3.162 20 0 CGADMM C[C@@H]1[C@H](C)CN(C(=O)c2cc(Cl)ccc2[O-])[C@H]1C ZINC000399597823 288053298 /nfs/dbraw/zinc/05/32/98/288053298.db2.gz XVZHCRODAGHEDP-BBBLOLIVSA-N -1 1 267.756 3.162 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC2(CC2)c2ccccc21 ZINC000186630569 280189163 /nfs/dbraw/zinc/18/91/63/280189163.db2.gz ZQXJFNNCLRGXBN-UHFFFAOYSA-N -1 1 283.302 3.223 20 0 CGADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530004108 288280785 /nfs/dbraw/zinc/28/07/85/288280785.db2.gz BBYUDGPGBFLEDP-LKFCYVNXSA-N -1 1 251.301 3.152 20 0 CGADMM CCCn1nc(C)c(C(=O)Nc2cccc(F)c2[O-])c1C ZINC000530005100 288281350 /nfs/dbraw/zinc/28/13/50/288281350.db2.gz IFRVGVBNBJUDEU-UHFFFAOYSA-N -1 1 291.326 3.007 20 0 CGADMM Cc1c(C(=O)Nc2cccc(F)c2[O-])ccn1C(C)C ZINC000530006176 288281796 /nfs/dbraw/zinc/28/17/96/288281796.db2.gz QUROHXZQYRJUNA-UHFFFAOYSA-N -1 1 276.311 3.474 20 0 CGADMM CC1(C)CC(CC(=O)Nc2cccc(F)c2[O-])C1 ZINC000530006837 288282221 /nfs/dbraw/zinc/28/22/21/288282221.db2.gz VLMTTZKMMHNPRP-UHFFFAOYSA-N -1 1 251.301 3.296 20 0 CGADMM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(F)c1[O-] ZINC000530007141 288282507 /nfs/dbraw/zinc/28/25/07/288282507.db2.gz YHGPTSXFRNWKJI-SMDDNHRTSA-N -1 1 295.354 3.455 20 0 CGADMM CC[C@@H](N=c1[n-]c(C(F)(F)F)cs1)C1CCOCC1 ZINC000532883248 288372797 /nfs/dbraw/zinc/37/27/97/288372797.db2.gz QYHTVYIGNQINDR-SECBINFHSA-N -1 1 294.342 3.201 20 0 CGADMM CC(C)SCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000541888334 288725500 /nfs/dbraw/zinc/72/55/00/288725500.db2.gz MOJVTWSNCYAVLD-UHFFFAOYSA-N -1 1 259.758 3.126 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)c([O-])c1 ZINC000493106843 292876198 /nfs/dbraw/zinc/87/61/98/292876198.db2.gz PWIRVUABBFBQDN-STQMWFEESA-N -1 1 290.407 3.382 20 0 CGADMM CCc1nc(S[C@@H]2CC[C@@H](C)C2)[n-]c(=O)c1C ZINC000577125461 335305177 /nfs/dbraw/zinc/30/51/77/335305177.db2.gz RTTLNLDJKFUMPU-PSASIEDQSA-N -1 1 252.383 3.334 20 0 CGADMM Cc1nn(C(C)C)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000566440838 322123942 /nfs/dbraw/zinc/12/39/42/322123942.db2.gz SUODPAODNKPEPJ-UHFFFAOYSA-N -1 1 293.754 3.384 20 0 CGADMM Cc1ccc(C)c(CSc2ncc(C)c(=O)[n-]2)c1 ZINC000567292714 322157857 /nfs/dbraw/zinc/15/78/57/322157857.db2.gz YLCOKOQIDYYWIG-UHFFFAOYSA-N -1 1 260.362 3.400 20 0 CGADMM O=c1cc(C(F)F)nc(SCc2ccccc2)[n-]1 ZINC000569532985 322249713 /nfs/dbraw/zinc/24/97/13/322249713.db2.gz YMHWLAIPQXIEID-UHFFFAOYSA-N -1 1 268.288 3.412 20 0 CGADMM O=C([O-])[C@H](c1ccsc1)N1CCc2cccc(F)c2C1 ZINC000571096651 322289758 /nfs/dbraw/zinc/28/97/58/322289758.db2.gz FPVJXDUQYYEDNU-AWEZNQCLSA-N -1 1 291.347 3.071 20 0 CGADMM Cc1cccc(Cc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000572347883 322332593 /nfs/dbraw/zinc/33/25/93/322332593.db2.gz XYBIGLOPMXOSFV-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H]1C1CCC1 ZINC000573807936 322408088 /nfs/dbraw/zinc/40/80/88/322408088.db2.gz FIHQYUFYDFDXBI-WDEREUQCSA-N -1 1 265.740 3.420 20 0 CGADMM O=C([O-])c1ccc(-c2nc(CN3CCCC3)cs2)cc1 ZINC000584356566 328739194 /nfs/dbraw/zinc/73/91/94/328739194.db2.gz SXJRAJJXTZMFOD-UHFFFAOYSA-N -1 1 288.372 3.104 20 0 CGADMM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1occc1C(=O)[O-] ZINC000583699057 329069541 /nfs/dbraw/zinc/06/95/41/329069541.db2.gz ZNEMYXATZBPRJT-VIFPVBQESA-N -1 1 295.285 3.449 20 0 CGADMM O=C([N-]c1nnc(C2CC2)s1)c1ccc(F)c(F)c1F ZINC000584446285 329470120 /nfs/dbraw/zinc/47/01/20/329470120.db2.gz UHIVCFNUCBKFTA-UHFFFAOYSA-N -1 1 299.277 3.085 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2cccc(F)c2)o1 ZINC000576166260 335163512 /nfs/dbraw/zinc/16/35/12/335163512.db2.gz LZWJECQDADQDMI-AWEZNQCLSA-N -1 1 289.306 3.454 20 0 CGADMM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cncc([O-])c2)c1 ZINC000178079881 533714656 /nfs/dbraw/zinc/71/46/56/533714656.db2.gz XKAROPSLERYPCV-QGZVFWFLSA-N -1 1 296.370 3.381 20 0 CGADMM Cc1oc(CN(C)CC2=CCCCC2)cc1C(=O)[O-] ZINC000576472767 335208829 /nfs/dbraw/zinc/20/88/29/335208829.db2.gz JLLDHJYNGKEIOF-UHFFFAOYSA-N -1 1 263.337 3.218 20 0 CGADMM F[C@H]1CCC[C@H](N=c2[n-]c(C(F)(F)F)cs2)C1 ZINC000576699251 335236233 /nfs/dbraw/zinc/23/62/33/335236233.db2.gz LZWXRTTVJMCQEA-BQBZGAKWSA-N -1 1 268.279 3.276 20 0 CGADMM Cc1ncc(-c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000350840020 335538740 /nfs/dbraw/zinc/53/87/40/335538740.db2.gz WYIWZEAJZVDNOP-UHFFFAOYSA-N -1 1 277.280 3.013 20 0 CGADMM CC(C)c1cnc(C[N-]c2nnc([C@@H]3CCCO3)o2)s1 ZINC000181712023 335779780 /nfs/dbraw/zinc/77/97/80/335779780.db2.gz WFTBQGAAYDGCMB-VIFPVBQESA-N -1 1 294.380 3.113 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2cc(C)ccc2F)c(C)o1 ZINC000182770645 335841607 /nfs/dbraw/zinc/84/16/07/335841607.db2.gz GJKSKRQSABQEFF-UHFFFAOYSA-N -1 1 283.324 3.145 20 0 CGADMM Cc1cnc(SCc2csc(C(C)C)n2)[n-]c1=O ZINC000581083564 336006624 /nfs/dbraw/zinc/00/66/24/336006624.db2.gz ULXHZRSPJDRBGG-UHFFFAOYSA-N -1 1 281.406 3.363 20 0 CGADMM COc1cc(NC(=O)c2ccc([O-])cc2F)ccc1Cl ZINC000194895433 336040181 /nfs/dbraw/zinc/04/01/81/336040181.db2.gz HVGDCQOHZIVVPR-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CCc1nc(SCc2scnc2C)[n-]c(=O)c1C ZINC000581321643 336049028 /nfs/dbraw/zinc/04/90/28/336049028.db2.gz SOBKVEIPKJXZIW-UHFFFAOYSA-N -1 1 281.406 3.110 20 0 CGADMM CCN(C[C@H](C)OC)C(=O)c1cc2ccccc2cc1[O-] ZINC000383064965 336103966 /nfs/dbraw/zinc/10/39/66/336103966.db2.gz COEQPXAVHWHDOO-LBPRGKRZSA-N -1 1 287.359 3.042 20 0 CGADMM CO[C@H](C)c1nc(=NCC(C)(C)C(C)(C)C)s[n-]1 ZINC000386480117 336175633 /nfs/dbraw/zinc/17/56/33/336175633.db2.gz IFTHHQVWKLVARG-SECBINFHSA-N -1 1 271.430 3.152 20 0 CGADMM Cc1cc(=O)[nH]c(C=Cc2ccc([O-])c(Cl)c2)n1 ZINC000436783009 534016284 /nfs/dbraw/zinc/01/62/84/534016284.db2.gz KHUGAUDZIUSFBA-HYXAFXHYSA-N -1 1 262.696 3.020 20 0 CGADMM C[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])C(F)(F)F ZINC000436955872 534044017 /nfs/dbraw/zinc/04/40/17/534044017.db2.gz JMZJINBWXWFTLK-VIFPVBQESA-N -1 1 297.276 3.474 20 0 CGADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000426770010 534077737 /nfs/dbraw/zinc/07/77/37/534077737.db2.gz NXOQQHAQVMMTEM-MRXNPFEDSA-N -1 1 287.334 3.358 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1Cc2ccccc2CO1 ZINC000436743362 534660422 /nfs/dbraw/zinc/66/04/22/534660422.db2.gz GQXHVGMQPNZJEL-UHFFFAOYSA-N -1 1 289.718 3.133 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC(C2CCC2)C1 ZINC000436861854 534672656 /nfs/dbraw/zinc/67/26/56/534672656.db2.gz CLBCRXBRFNAQEO-UHFFFAOYSA-N -1 1 281.355 3.418 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2ccncc21 ZINC000436979877 534727779 /nfs/dbraw/zinc/72/77/79/534727779.db2.gz NHLPVHGDFUXJMS-UHFFFAOYSA-N -1 1 290.322 3.143 20 0 CGADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1c([O-])cccc1F ZINC000436517550 534764594 /nfs/dbraw/zinc/76/45/94/534764594.db2.gz OIXFYLAPCUDVEL-SDDRHHMPSA-N -1 1 277.339 3.230 20 0 CGADMM O=C(NCCCc1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000436542260 534850773 /nfs/dbraw/zinc/85/07/73/534850773.db2.gz AZXCEUTYUZTBPG-UHFFFAOYSA-N -1 1 291.297 3.033 20 0 CGADMM C/C=C\c1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436744029 526339815 /nfs/dbraw/zinc/33/98/15/526339815.db2.gz IPJVZFKAILMJGM-IHWYPQMZSA-N -1 1 281.311 3.247 20 0 CGADMM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2ncccc2[O-])C1 ZINC000425119457 527754139 /nfs/dbraw/zinc/75/41/39/527754139.db2.gz MYIOMTIEBDXEIV-CQSZACIVSA-N -1 1 296.370 3.401 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cccnc2)c([O-])c1 ZINC000436751307 528081841 /nfs/dbraw/zinc/08/18/41/528081841.db2.gz KDEXZQMUIUOXSC-UHFFFAOYSA-N -1 1 256.305 3.163 20 0 CGADMM CCCCN(C(=O)c1ncc(C)cc1[O-])[C@@H](C)CC ZINC000426995414 528314399 /nfs/dbraw/zinc/31/43/99/528314399.db2.gz PXENOEIWZIMHNO-LBPRGKRZSA-N -1 1 264.369 3.136 20 0 CGADMM CC(C)Cc1c[nH]c(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000412187995 528638076 /nfs/dbraw/zinc/63/80/76/528638076.db2.gz AUMBDWIKKSTQPT-UHFFFAOYSA-N -1 1 276.311 3.310 20 0 CGADMM CCCc1nnc(NC(=O)c2ccc(CC)cc2[O-])s1 ZINC000436810773 528775587 /nfs/dbraw/zinc/77/55/87/528775587.db2.gz YDLMGHNPZSDWIY-UHFFFAOYSA-N -1 1 291.376 3.011 20 0 CGADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1ncc(C)cc1[O-] ZINC000358613939 529187633 /nfs/dbraw/zinc/18/76/33/529187633.db2.gz HRVXHOPTYPMWCA-CQSZACIVSA-N -1 1 299.374 3.104 20 0 CGADMM CC[C@H]1CC[C@H](NC(=O)c2c([O-])cccc2F)CC1 ZINC000436891125 529257007 /nfs/dbraw/zinc/25/70/07/529257007.db2.gz FNEMGYKLSGOMGB-XYPYZODXSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@H](CCC(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000749962252 573068229 /nfs/dbraw/zinc/06/82/29/573068229.db2.gz SOSASIBPEZFKKJ-SNVBAGLBSA-N -1 1 275.270 3.180 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1cccc(O)c1 ZINC000727854287 571773744 /nfs/dbraw/zinc/77/37/44/571773744.db2.gz WYJATEXTFJAPAP-SECBINFHSA-N -1 1 291.734 3.242 20 0 CGADMM O=C([O-])CCCCN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000738573856 571876710 /nfs/dbraw/zinc/87/67/10/571876710.db2.gz CFRQGGHDGGVDCW-SFHVURJKSA-N -1 1 298.386 3.148 20 0 CGADMM O=C([O-])c1coc(CN2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000740268604 572438843 /nfs/dbraw/zinc/43/88/43/572438843.db2.gz IFFKQVVMOIFYCU-HNNXBMFYSA-N -1 1 287.315 3.021 20 0 CGADMM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1cncc([O-])c1 ZINC000732277520 572457401 /nfs/dbraw/zinc/45/74/01/572457401.db2.gz JNEHTXDLQRIJEU-IUODEOHRSA-N -1 1 290.407 3.370 20 0 CGADMM C[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)C1CC1 ZINC000732306758 572459640 /nfs/dbraw/zinc/45/96/40/572459640.db2.gz RYBFMTYGSKMHIF-QMMMGPOBSA-N -1 1 253.729 3.420 20 0 CGADMM CCC(C)(C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744927543 572467903 /nfs/dbraw/zinc/46/79/03/572467903.db2.gz AHCUZAKJKDHFBF-UHFFFAOYSA-N -1 1 278.348 3.117 20 0 CGADMM O=c1cc(C(F)(F)F)nc(SC/C=C\Cl)[n-]1 ZINC000735979950 572759219 /nfs/dbraw/zinc/75/92/19/572759219.db2.gz QJDPDQHFJPPURS-UPHRSURJSA-N -1 1 270.663 3.046 20 0 CGADMM C/C(=C/CSc1nc(CCC2CCCC2)n[nH]1)C(=O)[O-] ZINC000736121402 572769558 /nfs/dbraw/zinc/76/95/58/572769558.db2.gz NBAGDWYTZOAIIC-NTMALXAHSA-N -1 1 295.408 3.051 20 0 CGADMM C/C(=C/CSc1nnc(CCC2CCCC2)[nH]1)C(=O)[O-] ZINC000736121402 572769559 /nfs/dbraw/zinc/76/95/59/572769559.db2.gz NBAGDWYTZOAIIC-NTMALXAHSA-N -1 1 295.408 3.051 20 0 CGADMM C[C@@]1(NCc2cc(C(=O)[O-])co2)CCCc2ccccc21 ZINC000736738237 572807230 /nfs/dbraw/zinc/80/72/30/572807230.db2.gz IKMOXUMIBPOLCD-QGZVFWFLSA-N -1 1 285.343 3.319 20 0 CGADMM c1cc(-c2nnn[n-]2)oc1CNc1cccc2ccccc21 ZINC000823797190 607311208 /nfs/dbraw/zinc/31/12/08/607311208.db2.gz MUDVYKXNESVODU-UHFFFAOYSA-N -1 1 291.314 3.225 20 0 CGADMM c1cc(-c2nn[n-]n2)oc1CNc1cccc2ccccc21 ZINC000823797190 607311209 /nfs/dbraw/zinc/31/12/09/607311209.db2.gz MUDVYKXNESVODU-UHFFFAOYSA-N -1 1 291.314 3.225 20 0 CGADMM CC[C@@H](C(=O)[O-])N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000262358948 599790059 /nfs/dbraw/zinc/79/00/59/599790059.db2.gz IHRATZXOZSFSPN-NSHDSACASA-N -1 1 288.174 3.215 20 0 CGADMM Cc1cccc(F)c1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000832969247 600756702 /nfs/dbraw/zinc/75/67/02/600756702.db2.gz JVVDMEITTLBJCJ-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM CCCCN(CC)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829389373 601112825 /nfs/dbraw/zinc/11/28/25/601112825.db2.gz HXWXGQVFXUDDLU-LBPRGKRZSA-N -1 1 294.395 3.023 20 0 CGADMM O=C([O-])c1ccc(CNCc2ccccc2C2CC2)o1 ZINC000833314906 601235158 /nfs/dbraw/zinc/23/51/58/601235158.db2.gz LTKACQCUHLAMCY-UHFFFAOYSA-N -1 1 271.316 3.145 20 0 CGADMM Cc1cc(CN2CCC[C@H]2c2ccccn2)oc1C(=O)[O-] ZINC000832882456 601319104 /nfs/dbraw/zinc/31/91/04/601319104.db2.gz GCPHIDQBTCILNB-AWEZNQCLSA-N -1 1 286.331 3.018 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])co1)[C@@H](C)c1cccc(O)c1 ZINC000829718294 601375400 /nfs/dbraw/zinc/37/54/00/601375400.db2.gz GYFWOSCJGPCFHN-NSHDSACASA-N -1 1 289.331 3.267 20 0 CGADMM C[C@H]1CN(Cc2cc(Cl)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000087761626 601514586 /nfs/dbraw/zinc/51/45/86/601514586.db2.gz JOYBWCCHNRJNGV-KWQFWETISA-N -1 1 288.174 3.146 20 0 CGADMM O=C([O-])c1ccc(CNCc2cccc(C(F)(F)F)c2)o1 ZINC000071380225 601557224 /nfs/dbraw/zinc/55/72/24/601557224.db2.gz CTKIQQLOXBLIMX-UHFFFAOYSA-N -1 1 299.248 3.286 20 0 CGADMM CC(C)c1cnc(CNC2(CC(=O)[O-])CCCCC2)o1 ZINC000827140134 601879794 /nfs/dbraw/zinc/87/97/94/601879794.db2.gz ZTPPSRPEXYDDAH-UHFFFAOYSA-N -1 1 280.368 3.065 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000088431476 601936155 /nfs/dbraw/zinc/93/61/55/601936155.db2.gz YECDWCFZDIWYOR-MRVPVSSYSA-N -1 1 293.310 3.221 20 0 CGADMM Cc1[n-]n(-c2ccc(-c3ccccc3)nn2)c(=O)c1C(C)C ZINC000899349651 620653788 /nfs/dbraw/zinc/65/37/88/620653788.db2.gz JANSVGWGEAIJTG-INIZCTEOSA-N -1 1 294.358 3.138 20 0 CGADMM C[C@@H](c1ccc(F)cc1F)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173036 602789616 /nfs/dbraw/zinc/78/96/16/602789616.db2.gz DZAQAYJPGKKHBO-BFVZDQMLSA-N -1 1 298.333 3.004 20 0 CGADMM CC(C)C[C@H](N[C@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000043432424 604407279 /nfs/dbraw/zinc/40/72/79/604407279.db2.gz FUPMCOJHXGPQDE-PWSUYJOCSA-N -1 1 292.404 3.446 20 0 CGADMM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccco1 ZINC000825397377 605117730 /nfs/dbraw/zinc/11/77/30/605117730.db2.gz KYGFRSJWQWDYPI-NWDGAFQWSA-N -1 1 288.347 3.459 20 0 CGADMM C[C@@H](NC(=O)[O-])c1ccc(CN[C@@H](C)c2ccco2)cc1 ZINC000825397375 605118062 /nfs/dbraw/zinc/11/80/62/605118062.db2.gz KYGFRSJWQWDYPI-NEPJUHHUSA-N -1 1 288.347 3.459 20 0 CGADMM Cc1cc(CN2CCc3ccc(C(=O)[O-])cc3C2)c(C)o1 ZINC000833745537 605546079 /nfs/dbraw/zinc/54/60/79/605546079.db2.gz NAAPPABBZSSLIK-UHFFFAOYSA-N -1 1 285.343 3.153 20 0 CGADMM O=C([O-])Nc1cccc(CN2CCc3sccc3C2)c1 ZINC000834268312 605593998 /nfs/dbraw/zinc/59/39/98/605593998.db2.gz JDTHNVURZXZSNB-UHFFFAOYSA-N -1 1 288.372 3.396 20 0 CGADMM CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(OC)cc1 ZINC000175847937 617986654 /nfs/dbraw/zinc/98/66/54/617986654.db2.gz WLZGHPDSLFWGTA-SNVBAGLBSA-N -1 1 293.260 3.163 20 0 CGADMM O=C([N-]C1(c2ccccc2)CCC1)C(F)(F)C(F)F ZINC000175923430 618051946 /nfs/dbraw/zinc/05/19/46/618051946.db2.gz XBTSKYJTUSANHG-UHFFFAOYSA-N -1 1 275.245 3.082 20 0 CGADMM CCCCCCNC(=O)c1c([O-])cccc1Cl ZINC000057306147 618101736 /nfs/dbraw/zinc/10/17/36/618101736.db2.gz PQOIFNPTTUTYMQ-UHFFFAOYSA-N -1 1 255.745 3.356 20 0 CGADMM Cc1cc(CN[C@H](C)c2ccc(C)cc2)oc1C(=O)[O-] ZINC000235195021 618737458 /nfs/dbraw/zinc/73/74/58/618737458.db2.gz UWVXJMUVZAJZHV-GFCCVEGCSA-N -1 1 273.332 3.445 20 0 CGADMM Cc1conc1NCc1c([O-])ccc(Cl)c1F ZINC000191561718 618783580 /nfs/dbraw/zinc/78/35/80/618783580.db2.gz YVALAVHOGYJHHP-UHFFFAOYSA-N -1 1 256.664 3.093 20 0 CGADMM C=CCC1(C(=O)Nc2nc(Cl)ccc2[O-])CCC1 ZINC000193195870 618792785 /nfs/dbraw/zinc/79/27/85/618792785.db2.gz FXNNDKZDTOJJNX-UHFFFAOYSA-N -1 1 266.728 3.126 20 0 CGADMM CC[C@@H](CC(=O)NCc1n[n-]c(=S)n1C(C)C)C(C)C ZINC000066640435 618863253 /nfs/dbraw/zinc/86/32/53/618863253.db2.gz BYCTXACOSARUML-NSHDSACASA-N -1 1 298.456 3.210 20 0 CGADMM O=C(NN=C/C=C/c1ccco1)c1cc(Cl)ccc1[O-] ZINC000254758076 619221997 /nfs/dbraw/zinc/22/19/97/619221997.db2.gz BEHHKLKWABJNHY-SIISZUACSA-N -1 1 290.706 3.068 20 0 CGADMM O=C(NCc1ccc(F)cc1)c1c([O-])cccc1Cl ZINC000049082542 619681606 /nfs/dbraw/zinc/68/16/06/619681606.db2.gz WMIYIWXACIBSOD-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM CN(Cc1ccccc1O)C(=O)c1c([O-])cccc1Cl ZINC000049090738 619690331 /nfs/dbraw/zinc/69/03/31/619690331.db2.gz ZNBISXWZPJWBCM-UHFFFAOYSA-N -1 1 291.734 3.023 20 0 CGADMM CCc1ccc([C@@H](C)CC(=O)[N-]OCc2ccccn2)cc1 ZINC000909539063 620077480 /nfs/dbraw/zinc/07/74/80/620077480.db2.gz WBEMCSPFHQSMGM-AWEZNQCLSA-N -1 1 298.386 3.386 20 0 CGADMM O=c1nc(NCCC2CCC(F)(F)CC2)cc(Cl)[n-]1 ZINC000897246146 620171328 /nfs/dbraw/zinc/17/13/28/620171328.db2.gz QFPNVCCDALKHLC-UHFFFAOYSA-N -1 1 291.729 3.463 20 0 CGADMM Cc1cccc(CO[N-]C(=O)C[C@@H](C)c2ccccc2)n1 ZINC000898937897 620610660 /nfs/dbraw/zinc/61/06/60/620610660.db2.gz NQZJQGDLAQJNPX-CYBMUJFWSA-N -1 1 284.359 3.132 20 0 CGADMM CCN(CC(=O)[O-])Cc1ccc(-c2ccc(F)cc2)s1 ZINC000901426183 620883706 /nfs/dbraw/zinc/88/37/06/620883706.db2.gz CTWQWWGNKDZNSU-UHFFFAOYSA-N -1 1 293.363 3.461 20 0 CGADMM O=c1cc(-c2ccccc2)nc(SCC2CC2)[n-]1 ZINC000901618789 620947855 /nfs/dbraw/zinc/94/78/55/620947855.db2.gz KDKHIUVUBYZHKI-UHFFFAOYSA-N -1 1 258.346 3.351 20 0 CGADMM Cc1cc(CNCc2cc(C)ccc2C)oc1C(=O)[O-] ZINC000901941749 621072117 /nfs/dbraw/zinc/07/21/17/621072117.db2.gz CCEFDBLIMZVHEY-UHFFFAOYSA-N -1 1 273.332 3.193 20 0 CGADMM CC(C)C[C@@H](NCc1cc(C(=O)[O-])no1)c1ccccc1 ZINC000902072787 621125728 /nfs/dbraw/zinc/12/57/28/621125728.db2.gz VOQKZORXYSWWFJ-CQSZACIVSA-N -1 1 288.347 3.250 20 0 CGADMM CCc1oc(CNCc2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000902099678 621149765 /nfs/dbraw/zinc/14/97/65/621149765.db2.gz ZWIQAKKRCBAPAQ-UHFFFAOYSA-N -1 1 287.359 3.447 20 0 CGADMM Cc1cc(C)cc([C@H](C)NCc2ccc(C(=O)[O-])o2)c1 ZINC000902235156 621205666 /nfs/dbraw/zinc/20/56/66/621205666.db2.gz JQZWRBCTQZHVNO-LBPRGKRZSA-N -1 1 273.332 3.445 20 0 CGADMM CC1(C)C[C@@]1(NCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000902331267 621266712 /nfs/dbraw/zinc/26/67/12/621266712.db2.gz YPOPCMARVRBTPI-GOSISDBHSA-N -1 1 296.370 3.195 20 0 CGADMM CCC(CC)CCCN(C)Cc1cc(C(=O)[O-])no1 ZINC000902479911 621327531 /nfs/dbraw/zinc/32/75/31/621327531.db2.gz SFXYHRIKTMVYKM-UHFFFAOYSA-N -1 1 268.357 3.021 20 0 CGADMM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc3cnccc3c2)C12CCC2 ZINC000904248242 621891820 /nfs/dbraw/zinc/89/18/20/621891820.db2.gz ZURBRSHFCNGILA-HUUCEWRRSA-N -1 1 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CGADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2F)c(O)c1 ZINC001249963720 805331392 /nfs/dbraw/zinc/33/13/92/805331392.db2.gz SIEYHTPPHVLABY-UHFFFAOYSA-N -1 1 285.221 3.267 20 0 CGADMM C[C@@H]1CCC[C@H](C2CN(C(=O)c3cc(F)ccc3[O-])C2)C1 ZINC001152403181 805347898 /nfs/dbraw/zinc/34/78/98/805347898.db2.gz TWCSDACFVKELSS-NEPJUHHUSA-N -1 1 291.366 3.430 20 0 CGADMM CCOc1cnc(Nc2cc(Cl)c([O-])cc2F)cn1 ZINC001250020446 805372085 /nfs/dbraw/zinc/37/20/85/805372085.db2.gz VSXZCWJSQDULKO-UHFFFAOYSA-N -1 1 283.690 3.117 20 0 CGADMM COC1(C)CCN(C(=O)c2c([O-])ccc3ccccc32)CC1 ZINC001153497264 805400057 /nfs/dbraw/zinc/40/00/57/805400057.db2.gz DKLMKQMQKCQJTA-UHFFFAOYSA-N -1 1 299.370 3.187 20 0 CGADMM CC(C)[C@@H](C)NC(=O)c1c([O-])ccc2ccccc21 ZINC001153497658 805400725 /nfs/dbraw/zinc/40/07/25/805400725.db2.gz GYHRZRLAPHRHMI-LLVKDONJSA-N -1 1 257.333 3.320 20 0 CGADMM CCOc1cc([N-]c2nc(C)ns2)c(Cl)cn1 ZINC001250209865 805492362 /nfs/dbraw/zinc/49/23/62/805492362.db2.gz DOOHWJHKJOKUHR-UHFFFAOYSA-N -1 1 270.745 3.037 20 0 CGADMM COc1ncc(Nc2c(F)ccc([O-])c2Cl)c(C)n1 ZINC001250230425 805506326 /nfs/dbraw/zinc/50/63/26/805506326.db2.gz YASAGOZILLRGRG-UHFFFAOYSA-N -1 1 283.690 3.035 20 0 CGADMM [O-]c1c(F)cc(CCOCc2ccccc2)cc1F ZINC001250295527 805547916 /nfs/dbraw/zinc/54/79/16/805547916.db2.gz GAQNVLRQYJLUOJ-UHFFFAOYSA-N -1 1 264.271 3.430 20 0 CGADMM Cc1csc(NC(=O)c2nc3ccc(Cl)nc3[n-]2)c1 ZINC001155170923 805548252 /nfs/dbraw/zinc/54/82/52/805548252.db2.gz OJIAVHJOVLTJGJ-UHFFFAOYSA-N -1 1 292.751 3.234 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2CCC3)c1 ZINC001256855288 806992743 /nfs/dbraw/zinc/99/27/43/806992743.db2.gz NDQNFUZAYVGMFA-UHFFFAOYSA-N -1 1 287.384 3.285 20 0 CGADMM CC(C)Oc1ccc(-c2nnc(-c3ncccc3[O-])o2)cc1 ZINC001256862773 806993731 /nfs/dbraw/zinc/99/37/31/806993731.db2.gz GYFQEPKLIBHJQP-UHFFFAOYSA-N -1 1 297.314 3.291 20 0 CGADMM CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(F)c([O-])c1 ZINC001167604207 807213414 /nfs/dbraw/zinc/21/34/14/807213414.db2.gz WFNAXZMLKHYFKI-CMPLNLGQSA-N -1 1 265.328 3.325 20 0 CGADMM Cc1cccc(-c2noc(-c3ccncc3[O-])n2)c1Cl ZINC001212721668 815115251 /nfs/dbraw/zinc/11/52/51/815115251.db2.gz ZHKCPTKQXXHQDA-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC001259517898 807679547 /nfs/dbraw/zinc/67/95/47/807679547.db2.gz LZJDZLIKDCIJEU-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM CC(=O)c1ccc(C)cc1[N-]S(=O)(=O)C1CCCCC1 ZINC001259815127 807689812 /nfs/dbraw/zinc/68/98/12/807689812.db2.gz OQKXUFSKAFATGS-UHFFFAOYSA-N -1 1 295.404 3.272 20 0 CGADMM Cc1c(F)nccc1Nc1cc([O-])c(F)c(F)c1 ZINC001212843689 815153775 /nfs/dbraw/zinc/15/37/75/815153775.db2.gz IDKFNLXCRMPBRK-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM O=C(NCC[C@H]1CC=CCC1)c1cccc([O-])c1F ZINC001171556891 808095890 /nfs/dbraw/zinc/09/58/90/808095890.db2.gz JHAZXTZOMGOFAU-NSHDSACASA-N -1 1 263.312 3.008 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cccc2[nH]cnc21 ZINC001213033482 815206920 /nfs/dbraw/zinc/20/69/20/815206920.db2.gz JDCXCRNINOPPOM-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM CCOc1ccccc1[N-]c1nnc(-c2ccco2)o1 ZINC001173848145 808710036 /nfs/dbraw/zinc/71/00/36/808710036.db2.gz SRMRZOQKAGUQER-UHFFFAOYSA-N -1 1 271.276 3.472 20 0 CGADMM COCc1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001174094083 808860079 /nfs/dbraw/zinc/86/00/79/808860079.db2.gz HCPONNPLBHCFKH-UHFFFAOYSA-N -1 1 297.310 3.389 20 0 CGADMM [O-]c1cc(Nc2ccc3n[nH]cc3c2)cc(F)c1F ZINC001174272987 808919604 /nfs/dbraw/zinc/91/96/04/808919604.db2.gz MYUFTTXEFRTFME-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM Cn1cnc2ccc(Nc3ccnc(Cl)c3[O-])cc21 ZINC001174347395 808969731 /nfs/dbraw/zinc/96/97/31/808969731.db2.gz JGWGFECCYFUGPK-UHFFFAOYSA-N -1 1 274.711 3.071 20 0 CGADMM Nc1ccc(Nc2ccc(F)c(F)c2[O-])c(F)c1 ZINC001174483169 809038130 /nfs/dbraw/zinc/03/81/30/809038130.db2.gz IYRNXKWRIOZVLR-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM CC(C)(O)c1cncc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001174595170 809096451 /nfs/dbraw/zinc/09/64/51/809096451.db2.gz XSRMHCDVFSEYIP-UHFFFAOYSA-N -1 1 280.274 3.036 20 0 CGADMM COc1cccc(F)c1Nc1ccnc(Cl)c1[O-] ZINC001174991231 809229384 /nfs/dbraw/zinc/22/93/84/809229384.db2.gz UEWGFUWAPDRMNJ-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM Cc1c(C2CC2)cccc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001213475514 815287644 /nfs/dbraw/zinc/28/76/44/815287644.db2.gz KOSQEAMSDDHWNR-UHFFFAOYSA-N -1 1 279.343 3.499 20 0 CGADMM Cc1ccc2[nH]ncc2c1[N-]c1nnc(-c2ccco2)o1 ZINC001175524996 809442400 /nfs/dbraw/zinc/44/24/00/809442400.db2.gz FJYYHKGXORUFOL-UHFFFAOYSA-N -1 1 281.275 3.258 20 0 CGADMM CC[C@H]1CCC[C@H](NC(=O)c2cc(C)cc(C=O)c2[O-])C1 ZINC001293706137 809452859 /nfs/dbraw/zinc/45/28/59/809452859.db2.gz AFQZVYJGDJDSKW-JSGCOSHPSA-N -1 1 289.375 3.212 20 0 CGADMM CCNC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001175633809 809481812 /nfs/dbraw/zinc/48/18/12/809481812.db2.gz PHUXRIIAPJPNEF-UHFFFAOYSA-N -1 1 292.285 3.164 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2cccnc2n1 ZINC001295291775 809484318 /nfs/dbraw/zinc/48/43/18/809484318.db2.gz AHCGPABOBMCLHM-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2ccc([O-])cn2)C1 ZINC001299766095 809554339 /nfs/dbraw/zinc/55/43/39/809554339.db2.gz QGYQFCGBLVJPFF-INIZCTEOSA-N -1 1 296.370 3.401 20 0 CGADMM CSCC1(CCNC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC001300550866 809570821 /nfs/dbraw/zinc/57/08/21/809570821.db2.gz UYOPJZCXLBZPMG-UHFFFAOYSA-N -1 1 299.823 3.309 20 0 CGADMM CCc1ccccc1CC(=O)Nc1cccc(F)c1[O-] ZINC001302487790 809595239 /nfs/dbraw/zinc/59/52/39/809595239.db2.gz YYKPRPLMKFHSAP-UHFFFAOYSA-N -1 1 273.307 3.275 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@]2(C)C2CCCCC2)c([O-])c1 ZINC001302916549 809601917 /nfs/dbraw/zinc/60/19/17/809601917.db2.gz NYBPAMOHKHDNOR-QGZVFWFLSA-N -1 1 288.391 3.281 20 0 CGADMM C[C@H](Cc1ccccc1F)C(=O)[N-]Oc1ccccc1F ZINC001303332657 809607936 /nfs/dbraw/zinc/60/79/36/809607936.db2.gz IBHCYPBPHNBCLS-LLVKDONJSA-N -1 1 291.297 3.254 20 0 CGADMM [O-]c1c(NC2=CCOCC2)ccc(F)c1Br ZINC001176148203 809636083 /nfs/dbraw/zinc/63/60/83/809636083.db2.gz VWQFGVZXALPDDV-UHFFFAOYSA-N -1 1 288.116 3.010 20 0 CGADMM Cc1nnc([N-]c2ccc(Oc3ccccc3)nc2)o1 ZINC001176375042 809681743 /nfs/dbraw/zinc/68/17/43/809681743.db2.gz COHNRPPAHYGRNL-UHFFFAOYSA-N -1 1 268.276 3.309 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccc(F)n2)c1F ZINC001176664370 809738691 /nfs/dbraw/zinc/73/86/91/809738691.db2.gz WKOZFUJZXXOGNT-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc(CCO)cc2)c1F ZINC001176669498 809738869 /nfs/dbraw/zinc/73/88/69/809738869.db2.gz IKFGQVPTUSLBSR-UHFFFAOYSA-N -1 1 283.249 3.088 20 0 CGADMM CN(c1ccccc1N)c1c(F)cc(F)c([O-])c1F ZINC001176671977 809740224 /nfs/dbraw/zinc/74/02/24/809740224.db2.gz QPMFIWLEZCEGJS-UHFFFAOYSA-N -1 1 268.238 3.160 20 0 CGADMM O=c1[nH]oc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc12 ZINC001176671078 809740344 /nfs/dbraw/zinc/74/03/44/809740344.db2.gz SJXQAHWSMUNKRB-UHFFFAOYSA-N -1 1 296.204 3.400 20 0 CGADMM CC(C)COc1cccc(-n2[n-]c(=O)c3cc(N)ccc32)c1 ZINC001213642313 815316064 /nfs/dbraw/zinc/31/60/64/815316064.db2.gz USCACLGYKDABFL-UHFFFAOYSA-N -1 1 297.358 3.348 20 0 CGADMM Cc1csc(C(=O)NCCc2c(F)cc([O-])cc2F)c1 ZINC001178785399 809887927 /nfs/dbraw/zinc/88/79/27/809887927.db2.gz UHHNCLHWZQAIQY-UHFFFAOYSA-N -1 1 297.326 3.013 20 0 CGADMM CCCc1nc(C)c(CNCc2ccc([O-])c(F)c2F)o1 ZINC001182173032 810096908 /nfs/dbraw/zinc/09/69/08/810096908.db2.gz HQGGNVIOAAKZRU-UHFFFAOYSA-N -1 1 296.317 3.209 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1C[C@H]1c1ccsc1 ZINC001183218472 810140929 /nfs/dbraw/zinc/14/09/29/810140929.db2.gz LPSDYHGFAFOBSH-DTWKUNHWSA-N -1 1 294.763 3.244 20 0 CGADMM C[C@@H](NC(=O)Nc1cccc(F)c1[O-])c1ccccc1 ZINC001185023699 810229542 /nfs/dbraw/zinc/22/95/42/810229542.db2.gz OZGLLJUEWZKNKI-SNVBAGLBSA-N -1 1 274.295 3.414 20 0 CGADMM Cc1cccc2nc(NC(=O)c3cccc([S-])c3)[nH]c21 ZINC001186131144 810315587 /nfs/dbraw/zinc/31/55/87/810315587.db2.gz DHXMHOCMOPMVAZ-UHFFFAOYSA-N -1 1 283.356 3.412 20 0 CGADMM C[C@@H]1C[C@H](NC(=O)c2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC001186234622 810323149 /nfs/dbraw/zinc/32/31/49/810323149.db2.gz WRZOERRGCNHGGC-PWSUYJOCSA-N -1 1 279.355 3.476 20 0 CGADMM C[C@H]1C[C@@H](NC(=O)c2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC001186234620 810323304 /nfs/dbraw/zinc/32/33/04/810323304.db2.gz WRZOERRGCNHGGC-CMPLNLGQSA-N -1 1 279.355 3.476 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1)Nc1c([O-])cccc1F ZINC001187571178 810405169 /nfs/dbraw/zinc/40/51/69/810405169.db2.gz KOFDOAQZGDIXBE-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM Cc1cc(N)ccc1Nc1c([O-])cc(F)cc1F ZINC001214114511 815371510 /nfs/dbraw/zinc/37/15/10/815371510.db2.gz AASGPDNPPCVLSK-UHFFFAOYSA-N -1 1 250.248 3.305 20 0 CGADMM O=C(Nc1c(Cl)ccc(O)c1Cl)c1ccncc1[O-] ZINC001188636061 810497620 /nfs/dbraw/zinc/49/76/20/810497620.db2.gz DTIVOQWACKNDMJ-UHFFFAOYSA-N -1 1 299.113 3.052 20 0 CGADMM Cc1cccc(CNC(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001191002115 810663422 /nfs/dbraw/zinc/66/34/22/810663422.db2.gz ZYWYVLHVISVFCP-UHFFFAOYSA-N -1 1 292.285 3.301 20 0 CGADMM O=C(Nc1c([O-])cc(C(F)(F)F)cc1Cl)NC1CC1 ZINC001191487065 810719006 /nfs/dbraw/zinc/71/90/06/810719006.db2.gz YQSDIEHFLNVLCC-UHFFFAOYSA-N -1 1 294.660 3.348 20 0 CGADMM Cc1ccc(Cl)c(NC(=O)Nc2ncccc2[O-])c1 ZINC001191672050 810729456 /nfs/dbraw/zinc/72/94/56/810729456.db2.gz LIVJFTVSTJXYJV-UHFFFAOYSA-N -1 1 277.711 3.393 20 0 CGADMM CCCCCCNC(=O)Nc1ccc(F)cc1[O-] ZINC001191972965 810761035 /nfs/dbraw/zinc/76/10/35/810761035.db2.gz YDQWEQOLZRQCKF-UHFFFAOYSA-N -1 1 254.305 3.233 20 0 CGADMM Cc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1OC(C)C ZINC001214336995 815397009 /nfs/dbraw/zinc/39/70/09/815397009.db2.gz MOENYWMRBAWDLL-UHFFFAOYSA-N -1 1 297.358 3.409 20 0 CGADMM Nc1cc(F)cnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482747 815416329 /nfs/dbraw/zinc/41/63/29/815416329.db2.gz LSTIDOKBXIHPJG-UHFFFAOYSA-N -1 1 271.654 3.045 20 0 CGADMM NC(=O)c1ccsc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214480709 815416575 /nfs/dbraw/zinc/41/65/75/815416575.db2.gz ZQHYHHJCMYAMLH-UHFFFAOYSA-N -1 1 286.715 3.089 20 0 CGADMM Nc1ccc(N(c2cc(F)c([O-])c(Cl)c2)C2CC2)nc1 ZINC001214485135 815416625 /nfs/dbraw/zinc/41/66/25/815416625.db2.gz VHUWMOOZULGMBO-UHFFFAOYSA-N -1 1 293.729 3.462 20 0 CGADMM Cn1nnc2cc(Nc3cc(F)c([O-])c(Cl)c3)ccc21 ZINC001214489238 815417711 /nfs/dbraw/zinc/41/77/11/815417711.db2.gz ZCGLNLYVOUDHCG-UHFFFAOYSA-N -1 1 292.701 3.210 20 0 CGADMM O=C([O-])c1cc(Cl)c(Nc2ccncc2)c(Cl)c1 ZINC001214508778 815418674 /nfs/dbraw/zinc/41/86/74/815418674.db2.gz BWSCABDYUMTFGN-UHFFFAOYSA-N -1 1 283.114 3.252 20 0 CGADMM CC(C)CCOC(=O)Nc1c(F)cc([O-])cc1F ZINC001194880731 811161907 /nfs/dbraw/zinc/16/19/07/811161907.db2.gz QVNPPQRTEQBDPD-UHFFFAOYSA-N -1 1 259.252 3.265 20 0 CGADMM O=C(Nc1ccc(C(F)F)nc1)c1cc([O-])cnc1Cl ZINC001195297795 811239555 /nfs/dbraw/zinc/23/95/55/811239555.db2.gz HNJYITSFRZEYGU-UHFFFAOYSA-N -1 1 299.664 3.026 20 0 CGADMM Cc1[nH]c2c(cccc2NC(=O)c2nc(C)ccc2[O-])c1C ZINC001195331530 811242702 /nfs/dbraw/zinc/24/27/02/811242702.db2.gz YEPXQQJBHISUFF-UHFFFAOYSA-N -1 1 295.342 3.446 20 0 CGADMM COc1cccc(CS(=O)(=O)[N-]c2cc(C)cs2)c1 ZINC001197348185 811418194 /nfs/dbraw/zinc/41/81/94/811418194.db2.gz HQNRIIWKNFUQEF-UHFFFAOYSA-N -1 1 297.401 3.007 20 0 CGADMM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1ccoc1 ZINC001197649778 811441436 /nfs/dbraw/zinc/44/14/36/811441436.db2.gz PRMBFUBELIKDBC-UHFFFAOYSA-N -1 1 289.715 3.014 20 0 CGADMM CC[C@@H](C)CNC(=S)Nc1cc([O-])c(F)cc1F ZINC001200259314 811656856 /nfs/dbraw/zinc/65/68/56/811656856.db2.gz LFFDCWHCMQVMRX-SSDOTTSWSA-N -1 1 274.336 3.003 20 0 CGADMM CC(C)(C)NC(=S)Nc1cc([O-])c(Cl)cc1F ZINC001200907812 811763715 /nfs/dbraw/zinc/76/37/15/811763715.db2.gz FSFFZUMOICALSC-UHFFFAOYSA-N -1 1 276.764 3.270 20 0 CGADMM Cc1c(C)c(Nc2ccnc(Cl)c2[O-])ccc1CO ZINC001215238502 815496996 /nfs/dbraw/zinc/49/69/96/815496996.db2.gz XQMMUOFVSOUFQY-UHFFFAOYSA-N -1 1 278.739 3.293 20 0 CGADMM O=C(Nc1cccc(F)c1)Nc1cc(F)c(F)cc1[O-] ZINC001202230695 812045405 /nfs/dbraw/zinc/04/54/05/812045405.db2.gz HVMNCIKIKDJSOC-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM O=C(Nc1ccc(F)cc1)Nc1cc(Cl)ncc1[O-] ZINC001202346866 812068291 /nfs/dbraw/zinc/06/82/91/812068291.db2.gz NSVFGRYTZFOETG-UHFFFAOYSA-N -1 1 281.674 3.224 20 0 CGADMM COc1ccc(NC(=O)Nc2c([O-])cccc2F)cc1 ZINC001202392221 812083081 /nfs/dbraw/zinc/08/30/81/812083081.db2.gz SZCWVBRJCQPWMN-UHFFFAOYSA-N -1 1 276.267 3.184 20 0 CGADMM CC(C)(C)c1nc([N-]c2cc(F)c(O)cc2F)no1 ZINC001215569755 815536321 /nfs/dbraw/zinc/53/63/21/815536321.db2.gz GTCHTSTUJUJXJM-UHFFFAOYSA-N -1 1 269.251 3.095 20 0 CGADMM CN(C)C(=O)c1ccccc1Nc1cc(F)c([O-])cc1F ZINC001215571884 815537518 /nfs/dbraw/zinc/53/75/18/815537518.db2.gz PFHLCQFNNPRUHJ-UHFFFAOYSA-N -1 1 292.285 3.116 20 0 CGADMM O=c1[nH]c2ccc(Nc3cc(F)c([O-])cc3F)cc2o1 ZINC001215572108 815537779 /nfs/dbraw/zinc/53/77/79/815537779.db2.gz ZGFJEVKUCJMQRU-UHFFFAOYSA-N -1 1 278.214 3.261 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(CO)cc2F)cc1F ZINC001215573186 815538896 /nfs/dbraw/zinc/53/88/96/815538896.db2.gz FZECHXOEIRSHPB-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM Cc1cc2cc(Nc3ccnc(Cl)c3[O-])cnc2[nH]1 ZINC001204911176 812772068 /nfs/dbraw/zinc/77/20/68/812772068.db2.gz MFZOMSSKEPFFQX-UHFFFAOYSA-N -1 1 274.711 3.369 20 0 CGADMM [O-]c1c(F)cc(Nc2ccc(F)c(CO)c2F)cc1F ZINC001215651655 815553558 /nfs/dbraw/zinc/55/35/58/815553558.db2.gz HPBMTGXICHAIKC-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM Cc1cc(-c2ccc(-c3nnn[n-]3)nc2)cc(C)c1Cl ZINC001205051979 812839861 /nfs/dbraw/zinc/83/98/61/812839861.db2.gz CVNAVCHGJCVZJG-UHFFFAOYSA-N -1 1 285.738 3.199 20 0 CGADMM Cc1cc(-c2ccc(-c3nn[n-]n3)nc2)cc(C)c1Cl ZINC001205051979 812839868 /nfs/dbraw/zinc/83/98/68/812839868.db2.gz CVNAVCHGJCVZJG-UHFFFAOYSA-N -1 1 285.738 3.199 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cccc4ccncc43)no2)nn1 ZINC001205299611 812939762 /nfs/dbraw/zinc/93/97/62/812939762.db2.gz YLRQKMFJIDUQGI-UHFFFAOYSA-N -1 1 291.270 3.008 20 0 CGADMM Cc1cc2[nH]cnc2cc1-c1ccsc1C(=O)[O-] ZINC001205572093 813007873 /nfs/dbraw/zinc/00/78/73/813007873.db2.gz CGXKRCLSDHXEKG-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM Cc1ccc([N-]c2nnc(C(C)(C)C)o2)c2c[nH]nc21 ZINC001215753983 815575390 /nfs/dbraw/zinc/57/53/90/815575390.db2.gz JLCDZBYHERMDBE-UHFFFAOYSA-N -1 1 271.324 3.295 20 0 CGADMM [O-]c1ccc(-c2ncnc(-c3cccc(F)c3)n2)c(F)c1 ZINC001206044247 813179946 /nfs/dbraw/zinc/17/99/46/813179946.db2.gz GQJURJZGEQTDRB-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM Cn1ccc2c1ccnc2-c1csc(C(=O)[O-])c1 ZINC001206244065 813253086 /nfs/dbraw/zinc/25/30/86/813253086.db2.gz PXCYPVCNIFARNA-UHFFFAOYSA-N -1 1 258.302 3.000 20 0 CGADMM Cc1ccc(Nc2ccc(F)c(F)c2[O-])c(O)c1 ZINC001206293757 813275169 /nfs/dbraw/zinc/27/51/69/813275169.db2.gz CYXYAKIOPPFUKE-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM C=Cc1cccc(Nc2cc(S(C)(=O)=O)ccc2[O-])c1 ZINC001209923363 814200442 /nfs/dbraw/zinc/20/04/42/814200442.db2.gz WOXOQWFVFJJTKH-UHFFFAOYSA-N -1 1 289.356 3.182 20 0 CGADMM CC(C)(C)c1nnc([N-]c2cccc(Cl)c2O)o1 ZINC001210216115 814344953 /nfs/dbraw/zinc/34/49/53/814344953.db2.gz CISLSVIFFUBHRN-UHFFFAOYSA-N -1 1 267.716 3.470 20 0 CGADMM Cc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1CO ZINC001210250245 814365640 /nfs/dbraw/zinc/36/56/40/814365640.db2.gz HKVFTRBIJONWEF-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM COc1ncc(Cl)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001210452328 814463933 /nfs/dbraw/zinc/46/39/33/814463933.db2.gz REAZXLYLVUEJGD-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM C[C@H](O)c1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001210513660 814501814 /nfs/dbraw/zinc/50/18/14/814501814.db2.gz BAMCJQWBRABDJK-QMMMGPOBSA-N -1 1 265.259 3.467 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc2ocnc2c1 ZINC001210570836 814533872 /nfs/dbraw/zinc/53/38/72/814533872.db2.gz AYPVNAZIXBBXMR-UHFFFAOYSA-N -1 1 294.266 3.383 20 0 CGADMM [O-]c1cccc(-c2nccnc2OC(F)F)c1Cl ZINC001242799253 823135755 /nfs/dbraw/zinc/13/57/55/823135755.db2.gz AZDFVDAHDPYXJI-UHFFFAOYSA-N -1 1 272.638 3.104 20 0 CGADMM COC(=O)c1cnc(-c2cccc([O-])c2Cl)c(F)c1 ZINC001242797886 823135773 /nfs/dbraw/zinc/13/57/73/823135773.db2.gz OKCVUBJFTOTUQX-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM [O-]c1c(Cl)c(Cl)ccc1Nc1ccncn1 ZINC001211027776 814711064 /nfs/dbraw/zinc/71/10/64/814711064.db2.gz CEQYCCQEFSYLKG-UHFFFAOYSA-N -1 1 256.092 3.233 20 0 CGADMM Cc1ccc2c(ncnc2-c2cccc([O-])c2Cl)n1 ZINC001242800460 823136729 /nfs/dbraw/zinc/13/67/29/823136729.db2.gz HRMDXIQZPOSIFD-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM [O-]c1cccc(-c2cnc3nccnc3c2)c1Cl ZINC001242799683 823136474 /nfs/dbraw/zinc/13/64/74/823136474.db2.gz XVDDUKYIPCVQAZ-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM O=c1ccc(-c2cccc([O-])c2Cl)nn1-c1ccccc1 ZINC001242801903 823137413 /nfs/dbraw/zinc/13/74/13/823137413.db2.gz FZDSNSSFWOQNNZ-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM COc1cc2nccn2cc1-c1cccc([O-])c1Cl ZINC001242802210 823138163 /nfs/dbraw/zinc/13/81/63/823138163.db2.gz ARGGHLMEPOGTKB-UHFFFAOYSA-N -1 1 274.707 3.369 20 0 CGADMM Cc1ccc(OC(C)C)c(-n2[n-]c(=O)c3cc(N)ccc32)c1 ZINC001211280929 814869326 /nfs/dbraw/zinc/86/93/26/814869326.db2.gz QWZWZEIVLMDJKE-UHFFFAOYSA-N -1 1 297.358 3.409 20 0 CGADMM O=C1CCc2ccc(-c3cc(F)c([O-])cc3F)cc2N1 ZINC001211340450 814882059 /nfs/dbraw/zinc/88/20/59/814882059.db2.gz UTIJZKBEXIBWCP-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM CCOc1ccc(-c2cc(F)c([O-])cc2F)cn1 ZINC001211340675 814882250 /nfs/dbraw/zinc/88/22/50/814882250.db2.gz XRBYIAURTONYMX-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM Cc1cc(C(N)=O)cc(C)c1-c1cc(F)c([O-])cc1F ZINC001211353771 814885619 /nfs/dbraw/zinc/88/56/19/814885619.db2.gz ZZGUTAIBKIPQDB-UHFFFAOYSA-N -1 1 277.270 3.053 20 0 CGADMM Cc1cnc(F)c(Nc2ccc(F)c(F)c2[O-])c1 ZINC001211508596 814898978 /nfs/dbraw/zinc/89/89/78/814898978.db2.gz XUCWJDCKHUQIBZ-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM Cc1cc(-c2noc(-c3ccc(F)c([O-])c3)n2)cnc1C ZINC001215842569 815612079 /nfs/dbraw/zinc/61/20/79/815612079.db2.gz OPZOYPJJZPBEBJ-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM Cc1ccc(-c2noc(-c3c(F)ccc([O-])c3F)n2)nc1 ZINC001216920812 815901878 /nfs/dbraw/zinc/90/18/78/815901878.db2.gz XLVJFGKMLDHGCI-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM CC(C)(C)CCNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001222394261 816431308 /nfs/dbraw/zinc/43/13/08/816431308.db2.gz ZVJPSPFESXKVJJ-UHFFFAOYSA-N -1 1 284.787 3.281 20 0 CGADMM COc1cc(C(F)(F)F)nc(-c2ccc(F)c([O-])c2)n1 ZINC001243050861 823228001 /nfs/dbraw/zinc/22/80/01/823228001.db2.gz UFKRVRFSTYDENU-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM Cc1cc(C(F)(F)F)nc(-c2ccc(F)c([O-])c2)n1 ZINC001243049461 823226703 /nfs/dbraw/zinc/22/67/03/823226703.db2.gz UKTNKWWGPDORNP-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CC2CCC1CC2 ZINC001225678881 817138327 /nfs/dbraw/zinc/13/83/27/817138327.db2.gz LSOJNZWNIUHISI-MGULZYLOSA-N -1 1 276.332 3.258 20 0 CGADMM C[C@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)c1cccnc1 ZINC001226181465 817292517 /nfs/dbraw/zinc/29/25/17/817292517.db2.gz DQANRHOINZYCTQ-LBPRGKRZSA-N -1 1 293.326 3.384 20 0 CGADMM CCCCCC[C@H](C)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226236593 817305392 /nfs/dbraw/zinc/30/53/92/817305392.db2.gz BHRZAMQMBSOKQZ-JTQLQIEISA-N -1 1 266.341 3.123 20 0 CGADMM CC(=O)c1c[n-]c(=O)nc1OC(CC(C)C)CC(C)C ZINC001226241093 817308067 /nfs/dbraw/zinc/30/80/67/817308067.db2.gz XRDZDWXXQULFRB-UHFFFAOYSA-N -1 1 280.368 3.224 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H](C)CCc1ccccc1 ZINC001226241922 817309069 /nfs/dbraw/zinc/30/90/69/817309069.db2.gz DKZYBDATYQYYGF-LLVKDONJSA-N -1 1 290.388 3.174 20 0 CGADMM CCCCC1CCC(Oc2cnc[n-]c2=O)CC1 ZINC001227052102 817544043 /nfs/dbraw/zinc/54/40/43/817544043.db2.gz VNYWJYBGWOVTAL-UHFFFAOYSA-N -1 1 250.342 3.310 20 0 CGADMM C[C@H](Oc1[n-]c(=S)ncc1F)c1cccs1 ZINC001227384808 817636478 /nfs/dbraw/zinc/63/64/78/817636478.db2.gz GCOKPVKDJLCNRB-LURJTMIESA-N -1 1 256.327 3.106 20 0 CGADMM Cc1ccc(-c2nccc3c2ccn3C)cc1C(=O)[O-] ZINC001243194617 823284992 /nfs/dbraw/zinc/28/49/92/823284992.db2.gz DWGXXNDIRNGTQA-UHFFFAOYSA-N -1 1 266.300 3.247 20 0 CGADMM CSc1nc(O[C@H](C)c2ccc(F)cc2)cc(=O)[n-]1 ZINC001228091383 817808204 /nfs/dbraw/zinc/80/82/04/817808204.db2.gz YWLUVLXSZNOYIC-MRVPVSSYSA-N -1 1 280.324 3.183 20 0 CGADMM CC(C)C[C@H](Cc1ccccc1)Oc1cnnc(=S)[n-]1 ZINC001228635986 817959136 /nfs/dbraw/zinc/95/91/36/817959136.db2.gz GNJJIVZOBXZUDB-CYBMUJFWSA-N -1 1 289.404 3.197 20 0 CGADMM C[C@@H](Oc1cnnc(=S)[n-]1)c1ccc2ccccc2c1 ZINC001228638805 817959820 /nfs/dbraw/zinc/95/98/20/817959820.db2.gz IDFFUHCWIKPSIX-SNVBAGLBSA-N -1 1 283.356 3.454 20 0 CGADMM [O-]c1cccnc1-c1ncccc1OC1CCCC1 ZINC001231199584 818056230 /nfs/dbraw/zinc/05/62/30/818056230.db2.gz FFPKYQIQDYOQAV-UHFFFAOYSA-N -1 1 256.305 3.171 20 0 CGADMM O=C1CCN(Cc2ccc(Cl)c([O-])c2)[C@@H]2CCCC[C@H]12 ZINC001231733450 818161001 /nfs/dbraw/zinc/16/10/01/818161001.db2.gz UWOAAXVVIRBVOV-GXTWGEPZSA-N -1 1 293.794 3.379 20 0 CGADMM Cc1cccc2c1CCN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233032377 818506506 /nfs/dbraw/zinc/50/65/06/818506506.db2.gz JEFQFRVZXDNEJF-UHFFFAOYSA-N -1 1 288.778 3.307 20 0 CGADMM F[C@H]1CSC2(CN(Cc3ccc([S-])cc3)C2)C1 ZINC001233262266 818560645 /nfs/dbraw/zinc/56/06/45/818560645.db2.gz YKZIVDLJMBFJCW-LLVKDONJSA-N -1 1 269.410 3.005 20 0 CGADMM CN1Cc2ccc(-c3ccc([O-])c(F)c3F)cc2NC1=O ZINC001243341645 823355532 /nfs/dbraw/zinc/35/55/32/823355532.db2.gz WHTZLNDALSQCAH-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM [O-]c1ccc(-c2ccnc3ncccc32)c(F)c1F ZINC001243340478 823354036 /nfs/dbraw/zinc/35/40/36/823354036.db2.gz BCDVVSWCLAFJML-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COC(=O)c1cc(-c2ccc([O-])c(F)c2F)ccc1C ZINC001243341875 823355132 /nfs/dbraw/zinc/35/51/32/823355132.db2.gz FPYSNULOTMRBEX-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM CCCCCC[C@@H](CC)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233758495 818698844 /nfs/dbraw/zinc/69/88/44/818698844.db2.gz KMSQJDIAAGEXGZ-LLVKDONJSA-N -1 1 296.367 3.097 20 0 CGADMM COC(=O)c1ccc(C)c(-c2ccc([O-])c(F)c2F)c1 ZINC001243342121 823356866 /nfs/dbraw/zinc/35/68/66/823356866.db2.gz CKFFPMGUYKHVHP-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM [O-]c1ccc(-c2ccc3c(c2)OCCCO3)c(F)c1F ZINC001243342848 823357085 /nfs/dbraw/zinc/35/70/85/823357085.db2.gz MESKORHNOIXYHH-UHFFFAOYSA-N -1 1 278.254 3.499 20 0 CGADMM [O-]c1ccc(-c2ncc(F)c3[nH]ccc32)c(F)c1F ZINC001243343610 823358249 /nfs/dbraw/zinc/35/82/49/823358249.db2.gz JIQCLUAUOMZDAL-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM [O-]c1ccc(-c2cnc(OC3CCC3)nc2)c(F)c1F ZINC001243344183 823358899 /nfs/dbraw/zinc/35/88/99/823358899.db2.gz ZCIXCOONABMGBE-UHFFFAOYSA-N -1 1 278.258 3.059 20 0 CGADMM CCCCC[C@@H](CC)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234557251 818880760 /nfs/dbraw/zinc/88/07/60/818880760.db2.gz GZXZSKDNZAEVIF-LLVKDONJSA-N -1 1 296.367 3.015 20 0 CGADMM Cc1nc2cccc(-c3ccc(C(=O)[O-])cc3)c2[nH]1 ZINC001236062004 819294860 /nfs/dbraw/zinc/29/48/60/819294860.db2.gz VRYNPLOXDZNAID-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CCOC(=O)c1ccnc(-c2c(F)ccc(C)c2[O-])c1 ZINC001236390151 819445943 /nfs/dbraw/zinc/44/59/43/819445943.db2.gz HXJLONNIAQLQAV-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM COc1ccc2nc(-c3c(F)ccc(C)c3[O-])cnc2c1 ZINC001236392376 819447266 /nfs/dbraw/zinc/44/72/66/819447266.db2.gz OJBHCARRKUJRFE-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM CCOc1cc(-c2c(F)ccc(C)c2[O-])nc(SC)n1 ZINC001236393177 819448636 /nfs/dbraw/zinc/44/86/36/819448636.db2.gz QBWQNQGDRUITOV-UHFFFAOYSA-N -1 1 294.351 3.417 20 0 CGADMM Cc1cc(C)c(Cl)c(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001236546679 819532131 /nfs/dbraw/zinc/53/21/31/819532131.db2.gz BZAZQRLWSLCOPI-UHFFFAOYSA-N -1 1 299.757 3.436 20 0 CGADMM COc1cc(-c2cc(F)cc(F)c2[O-])cnc1C ZINC001243503172 823421707 /nfs/dbraw/zinc/42/17/07/823421707.db2.gz QKFICMXAHCXCOS-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COc1nc(OC)c(-c2cc(F)cc(F)c2[O-])cc1C ZINC001243506855 823424806 /nfs/dbraw/zinc/42/48/06/823424806.db2.gz LZULBBHGKYVCLZ-UHFFFAOYSA-N -1 1 281.258 3.058 20 0 CGADMM Cc1ccc2c(c1)CCN(Cc1ccc(F)cc1C(=O)[O-])C2 ZINC001238242452 819966398 /nfs/dbraw/zinc/96/63/98/819966398.db2.gz PQBKUWMWZHFVBX-UHFFFAOYSA-N -1 1 299.345 3.391 20 0 CGADMM C[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])CCC1(F)F ZINC001238233863 819967066 /nfs/dbraw/zinc/96/70/66/819967066.db2.gz QXHJCNGRFPGOAO-VIFPVBQESA-N -1 1 287.281 3.001 20 0 CGADMM CSc1cc(-c2ccc(Cl)c([O-])c2)ncn1 ZINC001243576769 823451225 /nfs/dbraw/zinc/45/12/25/823451225.db2.gz MUCCFBWRTCYLEB-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM O=c1ccc(-c2ccc(Cl)c([O-])c2)cn1C(F)F ZINC001243578031 823452224 /nfs/dbraw/zinc/45/22/24/823452224.db2.gz KAXZJKODVSHPRY-UHFFFAOYSA-N -1 1 271.650 3.269 20 0 CGADMM COC(=O)c1ccc(N)c(-c2ccc(Cl)c([O-])c2)c1 ZINC001243578487 823452923 /nfs/dbraw/zinc/45/29/23/823452923.db2.gz QEOTYKMRDKCRTM-UHFFFAOYSA-N -1 1 277.707 3.081 20 0 CGADMM NC(=O)Nc1ccc(-c2ccc(Cl)c([O-])c2)cc1 ZINC001243578527 823452987 /nfs/dbraw/zinc/45/29/87/823452987.db2.gz HEJHWRRCAJIJNS-UHFFFAOYSA-N -1 1 262.696 3.203 20 0 CGADMM CCCNC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)nc1 ZINC001243578714 823453004 /nfs/dbraw/zinc/45/30/04/823453004.db2.gz JBPGMPXISKQNFJ-UHFFFAOYSA-N -1 1 290.750 3.247 20 0 CGADMM Cc1ccc(S(C)(=O)=O)cc1-c1ccc(Cl)c([O-])c1 ZINC001243581852 823454033 /nfs/dbraw/zinc/45/40/33/823454033.db2.gz JVKIHUBBGIOEMT-UHFFFAOYSA-N -1 1 296.775 3.425 20 0 CGADMM CC(C)n1cc(-c2ccc(Cl)c([O-])c2)ccc1=O ZINC001243581808 823454106 /nfs/dbraw/zinc/45/41/06/823454106.db2.gz IJVKMLFPCIJKAK-UHFFFAOYSA-N -1 1 263.724 3.455 20 0 CGADMM CN1Cc2ccc(-c3ccc(Cl)c([O-])c3)cc2C1=O ZINC001243581756 823454347 /nfs/dbraw/zinc/45/43/47/823454347.db2.gz TVUWIPYMYCVFKO-UHFFFAOYSA-N -1 1 273.719 3.298 20 0 CGADMM COc1cc(-c2ccc(Cl)c([O-])c2)cnc1F ZINC001243584902 823456040 /nfs/dbraw/zinc/45/60/40/823456040.db2.gz ZUOUJRGXONHRBT-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM Cc1nccnc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243604388 823463700 /nfs/dbraw/zinc/46/37/00/823463700.db2.gz HDYGDQMFYWBBDR-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM Cc1nc2cccc(-c3ccc(C(=O)[O-])cc3F)c2[nH]1 ZINC001239261219 820244060 /nfs/dbraw/zinc/24/40/60/820244060.db2.gz ATDOVBNIFHASFY-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1cn2ccnc2cn1 ZINC001243610163 823466123 /nfs/dbraw/zinc/46/61/23/823466123.db2.gz XSZXTGPJDSLEBJ-UHFFFAOYSA-N -1 1 279.221 3.121 20 0 CGADMM Cc1cnnc(-c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001243609436 823466621 /nfs/dbraw/zinc/46/66/21/823466621.db2.gz TVUMMBRJHMPQHM-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(C)ccc3F)cc2[n-]1 ZINC001239965694 820744070 /nfs/dbraw/zinc/74/40/70/820744070.db2.gz VVMIQSGAZHABQL-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(C)ccc3F)ccc2[n-]1 ZINC001239965694 820744076 /nfs/dbraw/zinc/74/40/76/820744076.db2.gz VVMIQSGAZHABQL-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM CCOC(=O)c1cc(-c2cc(F)ccc2[O-])ncc1C ZINC001240693777 821249353 /nfs/dbraw/zinc/24/93/53/821249353.db2.gz HVCCUPORWZBNPW-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM Cc1nc(C2CC2)nc(-c2cc(F)ccc2[O-])c1F ZINC001240695395 821251486 /nfs/dbraw/zinc/25/14/86/821251486.db2.gz JTHXRAPGVZZUEI-UHFFFAOYSA-N -1 1 262.259 3.313 20 0 CGADMM COc1ccc2nc(-c3c(F)cc([O-])cc3F)cnc2c1 ZINC001241117444 821571843 /nfs/dbraw/zinc/57/18/43/821571843.db2.gz OPBZEEISMVULGZ-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM CCCCc1cc(-c2c(F)cc([O-])cc2F)ncn1 ZINC001241118844 821574026 /nfs/dbraw/zinc/57/40/26/821574026.db2.gz HFEHDAVKARQLSQ-UHFFFAOYSA-N -1 1 264.275 3.470 20 0 CGADMM COc1cnc(-c2c(F)cc([O-])cc2F)c2[nH]ccc21 ZINC001241119709 821575865 /nfs/dbraw/zinc/57/58/65/821575865.db2.gz IXTKFKGJASRBQT-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)OCO3)c(F)c1 ZINC001241120644 821575874 /nfs/dbraw/zinc/57/58/74/821575874.db2.gz DQXVQIKJSRXWHO-UHFFFAOYSA-N -1 1 250.200 3.066 20 0 CGADMM Cc1nc(C)c(-c2c(F)cc([O-])cc2F)nc1C ZINC001241119785 821575887 /nfs/dbraw/zinc/57/58/87/821575887.db2.gz PTAHKHMRHOTYPB-UHFFFAOYSA-N -1 1 250.248 3.053 20 0 CGADMM Cc1nnc(-c2c(F)cc([O-])cc2F)c(C)c1C ZINC001241120290 821576347 /nfs/dbraw/zinc/57/63/47/821576347.db2.gz YMLIVZFNDLVKGE-UHFFFAOYSA-N -1 1 250.248 3.053 20 0 CGADMM [O-]c1cc(F)c(-c2ccccc2C2OCCO2)c(F)c1 ZINC001241120704 821576362 /nfs/dbraw/zinc/57/63/62/821576362.db2.gz HQNGCTWHERFYEF-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM COc1ccc(-c2c(F)cc([O-])cc2F)c(C)n1 ZINC001241120854 821577062 /nfs/dbraw/zinc/57/70/62/821577062.db2.gz OUBGZZKLUAKVCZ-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM [O-]c1cc(F)c(-c2cnc(C(F)(F)F)nc2)c(F)c1 ZINC001241121975 821578389 /nfs/dbraw/zinc/57/83/89/821578389.db2.gz GMKJQJRSAADNGD-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM CC(C)Cn1ccc(-c2c(F)cc([O-])cc2F)cc1=O ZINC001241121647 821578994 /nfs/dbraw/zinc/57/89/94/821578994.db2.gz PQFNAMLHQGTFIX-UHFFFAOYSA-N -1 1 279.286 3.155 20 0 CGADMM COCc1ccccc1-c1c(F)cc([O-])cc1F ZINC001241123267 821580377 /nfs/dbraw/zinc/58/03/77/821580377.db2.gz YONYQYQQERNTAP-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM CCC(=O)Nc1cc(-c2c(F)cc([O-])cc2F)ccn1 ZINC001241124586 821581289 /nfs/dbraw/zinc/58/12/89/821581289.db2.gz JBNTWNOYBPSQLL-UHFFFAOYSA-N -1 1 278.258 3.081 20 0 CGADMM Cc1[nH]c2ncnc(-c3c(F)ccc([O-])c3F)c2c1C ZINC001241288906 821704760 /nfs/dbraw/zinc/70/47/60/821704760.db2.gz AVWUKKJVGXVOLJ-UHFFFAOYSA-N -1 1 275.258 3.226 20 0 CGADMM CC(C)(C)c1ccc(-c2c(F)ccc([O-])c2F)nn1 ZINC001241290319 821706123 /nfs/dbraw/zinc/70/61/23/821706123.db2.gz PKKZGGFIFKZASL-UHFFFAOYSA-N -1 1 264.275 3.425 20 0 CGADMM COc1nc(-c2c(F)ccc([O-])c2F)nc2ccccc21 ZINC001241289002 821706185 /nfs/dbraw/zinc/70/61/85/821706185.db2.gz FWQYEUPYTYRVKC-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3cnccc3n2)c1F ZINC001241291740 821708932 /nfs/dbraw/zinc/70/89/32/821708932.db2.gz UFLACIOQVFHPNB-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCCCOc1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001241292723 821709190 /nfs/dbraw/zinc/70/91/90/821709190.db2.gz ZXBCFFDDSSYJHN-UHFFFAOYSA-N -1 1 295.346 3.108 20 0 CGADMM CCCCOc1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001241292723 821709196 /nfs/dbraw/zinc/70/91/96/821709196.db2.gz ZXBCFFDDSSYJHN-UHFFFAOYSA-N -1 1 295.346 3.108 20 0 CGADMM COc1ccc(-c2cc3[nH]cnc3cc2C)cc1C(=O)[O-] ZINC001241868575 822186703 /nfs/dbraw/zinc/18/67/03/822186703.db2.gz HFHIRHOCCXCPFM-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM Cc1cnc(-c2cc(C(F)(F)F)ccc2[O-])c(C)n1 ZINC001242126620 822887382 /nfs/dbraw/zinc/88/73/82/822887382.db2.gz OULUCGZBBSUPFI-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM Cc1cc(C)c(-c2cc(C(F)(F)F)ccc2[O-])nn1 ZINC001242131342 822888904 /nfs/dbraw/zinc/88/89/04/822888904.db2.gz IBMGNQAFXRNYIP-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM [O-]c1ccc(-c2ccc3nccn3n2)cc1C(F)(F)F ZINC001242158445 822898921 /nfs/dbraw/zinc/89/89/21/822898921.db2.gz YZWWPSPSHOHKEL-UHFFFAOYSA-N -1 1 279.221 3.121 20 0 CGADMM CC(C)n1nccc(-c2ccc([O-])c(C(F)(F)F)c2)c1=O ZINC001242167733 822900911 /nfs/dbraw/zinc/90/09/11/822900911.db2.gz CKENCNIYOLUPND-UHFFFAOYSA-N -1 1 298.264 3.216 20 0 CGADMM COc1cc(F)c(-c2ccc(F)cc2[O-])cc1OC ZINC001242219490 822915498 /nfs/dbraw/zinc/91/54/98/822915498.db2.gz HRPNAAGYINSAOA-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM Cc1cc(C(F)(F)F)nc(-c2cccc(C)c2[O-])n1 ZINC001242344022 822957241 /nfs/dbraw/zinc/95/72/41/822957241.db2.gz MTBUZXVKQFBUET-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM Cc1cccc(-c2nccc(N3CCCCC3)n2)c1[O-] ZINC001242345000 822957976 /nfs/dbraw/zinc/95/79/76/822957976.db2.gz ZRHWWSCBTPLBDL-UHFFFAOYSA-N -1 1 269.348 3.148 20 0 CGADMM COCOc1ccc(OC)cc1-c1cccc(F)c1[O-] ZINC001242352422 822962808 /nfs/dbraw/zinc/96/28/08/822962808.db2.gz HNYOUIOEJFPVHZ-UHFFFAOYSA-N -1 1 278.279 3.190 20 0 CGADMM Cc1nc2ccc(-c3cccc(Cl)c3[O-])cn2n1 ZINC001242365158 822967981 /nfs/dbraw/zinc/96/79/81/822967981.db2.gz YHZREHSVDXFSID-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM CN(C)C(=O)c1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242364822 822968247 /nfs/dbraw/zinc/96/82/47/822968247.db2.gz QQOQMXOAHKWMGX-UHFFFAOYSA-N -1 1 275.735 3.414 20 0 CGADMM [O-]c1c(Cl)cccc1-c1cnc(N2CCCC2)nc1 ZINC001242364812 822968457 /nfs/dbraw/zinc/96/84/57/822968457.db2.gz QHRVIQITGLVYPT-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM CC(=O)Nc1ccc(-c2cccc(Cl)c2[O-])cn1 ZINC001242366189 822968679 /nfs/dbraw/zinc/96/86/79/822968679.db2.gz GUPLLLPHPVLSTD-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM Cc1cc(C(N)=O)ccc1-c1cccc(Cl)c1[O-] ZINC001242366336 822968840 /nfs/dbraw/zinc/96/88/40/822968840.db2.gz VPCXSMNWYYRAKY-UHFFFAOYSA-N -1 1 261.708 3.120 20 0 CGADMM C[S@@](=O)c1ccccc1-c1cccc(Cl)c1[O-] ZINC001242367050 822969636 /nfs/dbraw/zinc/96/96/36/822969636.db2.gz VSYRFVIDEPSFKM-QGZVFWFLSA-N -1 1 266.749 3.450 20 0 CGADMM COC[C@@H]([N-]c1nc(C(C)C)no1)c1ccc(F)cc1 ZINC001339872734 936389826 /nfs/dbraw/zinc/38/98/26/936389826.db2.gz QWQPGKWFXMVMBS-GFCCVEGCSA-N -1 1 279.315 3.132 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1C1CCCC1)c1c(F)ccc([O-])c1F ZINC001348705704 936931204 /nfs/dbraw/zinc/93/12/04/936931204.db2.gz NUZFGPIMQZJVRN-QWRGUYRKSA-N -1 1 295.329 3.227 20 0 CGADMM C[C@@H]1CCc2[n-]n(C3CCC(F)(F)CC3)c(=O)c2C1 ZINC001352108380 937037228 /nfs/dbraw/zinc/03/72/28/937037228.db2.gz AIJZQIVPPXONJX-MWLCHTKSSA-N -1 1 270.323 3.199 20 0 CGADMM O=C([O-])c1ccccc1CN(Cc1ccco1)C1CC1 ZINC000042693101 928207433 /nfs/dbraw/zinc/20/74/33/928207433.db2.gz RTOOKQBJKXRBJN-UHFFFAOYSA-N -1 1 271.316 3.142 20 0 CGADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cnc1F ZINC001545951450 937344337 /nfs/dbraw/zinc/34/43/37/937344337.db2.gz TTZWCVSWMBBRNC-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@@H]2CC(C)C)c1 ZINC001443019388 937345331 /nfs/dbraw/zinc/34/53/31/937345331.db2.gz SJBDGSRFYHAQGK-CQSZACIVSA-N -1 1 289.375 3.164 20 0 CGADMM CSc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC001446467227 937363713 /nfs/dbraw/zinc/36/37/13/937363713.db2.gz JRTIKGZSDNOASS-UHFFFAOYSA-N -1 1 294.763 3.415 20 0 CGADMM Cc1nc2c(cccc2NC(=O)c2ccc(F)c([O-])c2)o1 ZINC001449466132 937379336 /nfs/dbraw/zinc/37/93/36/937379336.db2.gz KTRIHBNMVWXPDH-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM CCOc1cccc(C(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001449450891 937379635 /nfs/dbraw/zinc/37/96/35/937379635.db2.gz UUTCIUHOLLYPNH-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC001456535300 937431822 /nfs/dbraw/zinc/43/18/22/937431822.db2.gz STIFKYUUJOLDIL-CDNLZTBQSA-N -1 1 294.354 3.105 20 0 CGADMM CCC[C@@H](NC(=O)c1ccc(F)c([O-])c1)C(C)(C)C ZINC001158438294 931980261 /nfs/dbraw/zinc/98/02/61/931980261.db2.gz NTFPBKQGPUQGPS-CYBMUJFWSA-N -1 1 267.344 3.476 20 0 CGADMM O=c1cc(O[C@@H]2CCc3cc(Cl)ccc32)[nH]c(=S)[n-]1 ZINC001225765544 932039102 /nfs/dbraw/zinc/03/91/02/932039102.db2.gz MTEHUQUSJSBLKS-SNVBAGLBSA-N -1 1 294.763 3.191 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccc(O)cc1O[C@H]1C=CCC1 ZINC001229298704 932128966 /nfs/dbraw/zinc/12/89/66/932128966.db2.gz ZXSDKIQVKPJJIW-HNNXBMFYSA-N -1 1 296.322 3.426 20 0 CGADMM COC(=O)[C@H]1C[C@@H](Oc2cc([O-])c(Cl)cc2Cl)C1 ZINC001229411869 932147127 /nfs/dbraw/zinc/14/71/27/932147127.db2.gz VXNFTZPUPHSSSI-KNVOCYPGSA-N -1 1 291.130 3.029 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001229475257 932157050 /nfs/dbraw/zinc/15/70/50/932157050.db2.gz RXGWLYPUKQUKME-FIXISWKDSA-N -1 1 258.317 3.328 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@H]1CC(F)(F)C1(F)F ZINC001229477891 932158072 /nfs/dbraw/zinc/15/80/72/932158072.db2.gz QTMRLIPUPAOUAJ-NSHDSACASA-N -1 1 292.228 3.407 20 0 CGADMM COC(=O)c1c[n-]c(OC2CCC(C(C)(C)C)CC2)n1 ZINC001230280394 932551427 /nfs/dbraw/zinc/55/14/27/932551427.db2.gz RUUKWKUKXREDGL-UHFFFAOYSA-N -1 1 280.368 3.180 20 0 CGADMM CCOC[C@@H](C)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231044702 932663982 /nfs/dbraw/zinc/66/39/82/932663982.db2.gz NYFQDMOKBDJTPI-ZCFIWIBFSA-N -1 1 290.150 3.069 20 0 CGADMM CCO[C@H](C)COc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231047669 932666475 /nfs/dbraw/zinc/66/64/75/932666475.db2.gz ARNDQZXODABYNY-ZCFIWIBFSA-N -1 1 290.150 3.069 20 0 CGADMM CCO[C@H](C)COc1nc2cc(Cl)nc(Cl)c2[n-]1 ZINC001231047669 932666478 /nfs/dbraw/zinc/66/64/78/932666478.db2.gz ARNDQZXODABYNY-ZCFIWIBFSA-N -1 1 290.150 3.069 20 0 CGADMM CC(C)(C(=O)Nc1c[n-][nH]c1=O)c1cccc2ccccc21 ZINC001306848420 932890087 /nfs/dbraw/zinc/89/00/87/932890087.db2.gz QSKVGQKHVSNLIW-UHFFFAOYSA-N -1 1 295.342 3.185 20 0 CGADMM Cc1nc(SC[C@H]2CCC(C)(C)CO2)[n-]c(=O)c1C ZINC001307322940 932941089 /nfs/dbraw/zinc/94/10/89/932941089.db2.gz HLTODEUSEHEUAA-LLVKDONJSA-N -1 1 282.409 3.096 20 0 CGADMM O=C(NC[C@H]1CCCc2ccccc21)c1cc(F)ccc1[O-] ZINC001464030710 937684628 /nfs/dbraw/zinc/68/46/28/937684628.db2.gz LMGFYQLSVZHYSA-CYBMUJFWSA-N -1 1 299.345 3.381 20 0 CGADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001465373189 937700317 /nfs/dbraw/zinc/70/03/17/937700317.db2.gz JJFMIJKYERZIIX-BDAKNGLRSA-N -1 1 287.281 3.282 20 0 CGADMM CCC(C)(C)CNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001466869329 937713127 /nfs/dbraw/zinc/71/31/27/937713127.db2.gz YRUNGYSQIMCKFB-UHFFFAOYSA-N -1 1 290.338 3.246 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001320296351 934028019 /nfs/dbraw/zinc/02/80/19/934028019.db2.gz FAECDASRHFJCIZ-WCQYABFASA-N -1 1 277.339 3.184 20 0 CGADMM CCN(Cc1occc1C)C(=O)c1cccc([O-])c1F ZINC001469088263 937735256 /nfs/dbraw/zinc/73/52/56/937735256.db2.gz FPNCXXXJPDHSGQ-UHFFFAOYSA-N -1 1 277.295 3.095 20 0 CGADMM C[C@H](C(=O)Nc1ccc(Br)c([O-])c1)C1CC1 ZINC001321584396 934195625 /nfs/dbraw/zinc/19/56/25/934195625.db2.gz ZWJQWSNBMFHZQP-ZETCQYMHSA-N -1 1 284.153 3.139 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1C[C@H]1c1ccsc1 ZINC001471167857 937762045 /nfs/dbraw/zinc/76/20/45/937762045.db2.gz IXWXGJBXZWFOSA-VHSXEESVSA-N -1 1 277.320 3.335 20 0 CGADMM O=C(CCNc1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC001323605974 934412333 /nfs/dbraw/zinc/41/23/33/934412333.db2.gz UPNUZUDKJUBKKO-UHFFFAOYSA-N -1 1 290.750 3.486 20 0 CGADMM Cc1[nH]ccc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001472193289 937773816 /nfs/dbraw/zinc/77/38/16/937773816.db2.gz UNJQNLHOQXTPKU-UHFFFAOYSA-N -1 1 268.675 3.074 20 0 CGADMM C=Cc1ccc(C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001472608566 937778134 /nfs/dbraw/zinc/77/81/34/937778134.db2.gz AYUCGJNISFDKJP-UHFFFAOYSA-N -1 1 257.264 3.427 20 0 CGADMM COc1ccc2cc([C@H](C)C(=O)[N-]OC(C)C)ccc2c1 ZINC001330658867 935308150 /nfs/dbraw/zinc/30/81/50/935308150.db2.gz FLWNEERZRNGHFS-LBPRGKRZSA-N -1 1 287.359 3.408 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CC12CCCC2 ZINC001331874975 935417068 /nfs/dbraw/zinc/41/70/68/935417068.db2.gz UCXZGRNBINIZPW-LLVKDONJSA-N -1 1 279.767 3.242 20 0 CGADMM O=C(OC[C@@H]1CCC2(CCC2)CO1)c1ccc([O-])cc1F ZINC001333908668 936075133 /nfs/dbraw/zinc/07/51/33/936075133.db2.gz HDAZRDZHKMLNDD-LBPRGKRZSA-N -1 1 294.322 3.037 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2cnoc2C(C)C)no1 ZINC001337357621 936253074 /nfs/dbraw/zinc/25/30/74/936253074.db2.gz QFVGSBQZOUBXNN-UHFFFAOYSA-N -1 1 263.297 3.162 20 0 CGADMM O=C(NC[C@H]1C[C@@H]1Cc1ccccc1)c1ccc([O-])cc1F ZINC001520984424 938029079 /nfs/dbraw/zinc/02/90/79/938029079.db2.gz PUSYQTHCTIJRQM-UONOGXRCSA-N -1 1 299.345 3.140 20 0 CGADMM CC(=O)c1ccsc1[N-]C(=O)c1ocnc1C(F)F ZINC001523523097 938039959 /nfs/dbraw/zinc/03/99/59/938039959.db2.gz IIYLHFMVHQHWAZ-UHFFFAOYSA-N -1 1 286.259 3.129 20 0 CGADMM CC(C)(C)CCCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001535591414 938102000 /nfs/dbraw/zinc/10/20/00/938102000.db2.gz FYUSILBIKSSJES-UHFFFAOYSA-N -1 1 291.395 3.216 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001538540774 938118741 /nfs/dbraw/zinc/11/87/41/938118741.db2.gz DTLKCPNJYSFGQB-DGCLKSJQSA-N -1 1 277.339 3.184 20 0 CGADMM O=C(NCc1ccccc1Cl)c1cccc([O-])c1F ZINC001538689418 938120218 /nfs/dbraw/zinc/12/02/18/938120218.db2.gz MGBPBVZUXUSFMU-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM CCc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001540311283 938129871 /nfs/dbraw/zinc/12/98/71/938129871.db2.gz XIVXPVRYCZLULB-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2ncc3ccccc3c2[O-])[C@@H]1C ZINC001540362256 938130542 /nfs/dbraw/zinc/13/05/42/938130542.db2.gz ZTKGZXKSGZLOLT-LALPHHSUSA-N -1 1 298.386 3.495 20 0 CGADMM CCCC[C@@H](CC)CNC(=O)c1cccc([O-])c1F ZINC001540679067 938132957 /nfs/dbraw/zinc/13/29/57/938132957.db2.gz NHZFVTCQBJAURU-LLVKDONJSA-N -1 1 267.344 3.478 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCC[C@H](c2ccccc2)CC1 ZINC001542772078 938136891 /nfs/dbraw/zinc/13/68/91/938136891.db2.gz OYKLGAUPOBTSMA-HNNXBMFYSA-N -1 1 296.370 3.197 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc(F)c([O-])c2)[C@H]1c1ccccc1 ZINC001544814765 938147138 /nfs/dbraw/zinc/14/71/38/938147138.db2.gz PVJVAFOZRZGFRF-MEDUHNTESA-N -1 1 285.318 3.365 20 0 CGADMM CCC1(CNC(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC001545166272 938148869 /nfs/dbraw/zinc/14/88/69/938148869.db2.gz RJHWIMCQXWZQNV-UHFFFAOYSA-N -1 1 285.343 3.171 20 0 CGADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001545336200 938149317 /nfs/dbraw/zinc/14/93/17/938149317.db2.gz RCOLUUMOUNRMKM-DTWKUNHWSA-N -1 1 287.281 3.282 20 0 CGADMM O=C(Nc1cccc(OCCF)c1)c1cccc([O-])c1F ZINC001545526381 938149939 /nfs/dbraw/zinc/14/99/39/938149939.db2.gz FPHHXDJYCHARBK-UHFFFAOYSA-N -1 1 293.269 3.132 20 0 CGADMM O=C(NC[C@H]1CCCC2(CC2)C1)c1c(F)ccc([O-])c1F ZINC001551836608 938187422 /nfs/dbraw/zinc/18/74/22/938187422.db2.gz KRPZYZUBZUVZJO-JTQLQIEISA-N -1 1 295.329 3.371 20 0 CGADMM O=C(Nc1nccc2ccccc21)c1cccc([O-])c1F ZINC001556599817 938204732 /nfs/dbraw/zinc/20/47/32/938204732.db2.gz NYDCUCHUNOQCLJ-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CC[C@@H]1CCCC[C@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC001556810069 938205928 /nfs/dbraw/zinc/20/59/28/938205928.db2.gz ZATKPBFNMAZZHE-NEPJUHHUSA-N -1 1 279.355 3.478 20 0 CGADMM C[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)c1ccco1 ZINC001556919458 938206498 /nfs/dbraw/zinc/20/64/98/938206498.db2.gz BGAWKCGVTLOIAZ-SSDOTTSWSA-N -1 1 267.231 3.006 20 0 CGADMM Cc1ccc(CC(=O)Nc2cc([O-])c(F)cc2F)cc1C ZINC001556919876 938206523 /nfs/dbraw/zinc/20/65/23/938206523.db2.gz UVCCFKDXQLHLNC-UHFFFAOYSA-N -1 1 291.297 3.468 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1[O-])c1ccc(Cl)c(O)c1 ZINC001556934911 938206633 /nfs/dbraw/zinc/20/66/33/938206633.db2.gz DGZVVMADPQICAV-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM CCC(=CC(=O)Nc1cc(F)cc(F)c1[O-])CC ZINC001557086017 938207711 /nfs/dbraw/zinc/20/77/11/938207711.db2.gz CXHBDCNOIWRSEJ-UHFFFAOYSA-N -1 1 255.264 3.355 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)C1CCc2ccccc2CC1 ZINC001557412326 938209822 /nfs/dbraw/zinc/20/98/22/938209822.db2.gz ACQLZVJGXHBCIX-UHFFFAOYSA-N -1 1 299.345 3.431 20 0 CGADMM C[C@H](C(=O)Nc1cccc(F)c1[O-])c1ccccc1F ZINC001557955464 938212723 /nfs/dbraw/zinc/21/27/23/938212723.db2.gz BLTCNQOMDYVHDH-VIFPVBQESA-N -1 1 277.270 3.413 20 0 CGADMM Cc1noc(Cl)c1CCC(=O)Nc1cccc(F)c1[O-] ZINC001557955917 938212782 /nfs/dbraw/zinc/21/27/82/938212782.db2.gz HEJUREZVCWBOCY-UHFFFAOYSA-N -1 1 298.701 3.052 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc2occc2[nH]1 ZINC001558209282 938214164 /nfs/dbraw/zinc/21/41/64/938214164.db2.gz PKSSKSGSHJRSNR-UHFFFAOYSA-N -1 1 290.706 3.050 20 0 CGADMM Cc1cc(F)ccc1[C@H](C)NC(=O)c1cccc([O-])c1F ZINC001558264560 938214511 /nfs/dbraw/zinc/21/45/11/938214511.db2.gz ZLSBYUNKARFJSV-JTQLQIEISA-N -1 1 291.297 3.470 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cccc2cc(=O)[nH]cc21 ZINC001558955710 938218656 /nfs/dbraw/zinc/21/86/56/938218656.db2.gz GKKXWYFZCJIRAV-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM [O-]c1ccc(CN2CCC[C@@H](OC3CCC3)C2)c(F)c1F ZINC001560909492 938283370 /nfs/dbraw/zinc/28/33/70/938283370.db2.gz WSSCGEAOXZGKKO-CYBMUJFWSA-N -1 1 297.345 3.204 20 0 CGADMM O=C([O-])[C@@H]1CN(Cc2cccc(F)c2)Cc2ccccc21 ZINC000087612213 958021441 /nfs/dbraw/zinc/02/14/41/958021441.db2.gz MADLLBWFEFEPLE-MRXNPFEDSA-N -1 1 285.318 3.010 20 0 CGADMM C[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1cccs1 ZINC000235517272 960448440 /nfs/dbraw/zinc/44/84/40/960448440.db2.gz BYNCGSAJYXFJKB-DTWKUNHWSA-N -1 1 265.334 3.451 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccnc2ccncc21 ZINC001566588868 960965997 /nfs/dbraw/zinc/96/59/97/960965997.db2.gz GJIVYTRXCLJPNW-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM O=C(N[C@H]1CCCc2sccc21)c1ccc(F)c([O-])c1 ZINC001567303777 961272913 /nfs/dbraw/zinc/27/29/13/961272913.db2.gz GQUBTHWQPYGWJC-LBPRGKRZSA-N -1 1 291.347 3.400 20 0 CGADMM CC[C@@H](C)c1ncc(NC(=O)c2ccc(F)c([O-])c2)cn1 ZINC001568093279 961503440 /nfs/dbraw/zinc/50/34/40/961503440.db2.gz LFTYEJMTMPJZRV-SECBINFHSA-N -1 1 289.310 3.087 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](C)c2ccsc2)c1 ZINC001568138991 961508847 /nfs/dbraw/zinc/50/88/47/961508847.db2.gz VTUHRVGTCBYADN-SNVBAGLBSA-N -1 1 289.356 3.066 20 0 CGADMM O=C(Cc1c(F)cccc1F)Nc1cc([O-])c(F)cc1F ZINC001570101239 961904336 /nfs/dbraw/zinc/90/43/36/961904336.db2.gz FIKNERJCFZPVOQ-UHFFFAOYSA-N -1 1 299.223 3.130 20 0 CGADMM O=C(CCSc1ccccn1)Nc1cccc(F)c1[O-] ZINC001587389992 962751842 /nfs/dbraw/zinc/75/18/42/962751842.db2.gz XWQYVYBHGAIQOP-UHFFFAOYSA-N -1 1 292.335 3.047 20 0 CGADMM O=Cc1c[nH]c2cc(C(=O)Nc3c([O-])cccc3F)ccc12 ZINC001583971783 962873906 /nfs/dbraw/zinc/87/39/06/962873906.db2.gz KOWUIPONRFTHTA-UHFFFAOYSA-N -1 1 298.273 3.077 20 0 CGADMM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001585572348 963028727 /nfs/dbraw/zinc/02/87/27/963028727.db2.gz NXRGOOSCMCMLEB-KCJUWKMLSA-N -1 1 287.281 3.329 20 0 CGADMM CC[C@H](C)[C@@H](C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001586471967 963111028 /nfs/dbraw/zinc/11/10/28/963111028.db2.gz SGGREAWJSLJMPY-WDEREUQCSA-N -1 1 287.359 3.415 20 0 CGADMM Cc1c(F)cccc1C(=O)Nc1cccc(F)c1[O-] ZINC001587389733 963188449 /nfs/dbraw/zinc/18/84/49/963188449.db2.gz QMGQIUGLVPHIDF-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM O=C(Nc1ccc(F)c(C(F)F)c1)c1ccc([O-])cn1 ZINC001587689663 963211774 /nfs/dbraw/zinc/21/17/74/963211774.db2.gz WRIMUVKPFFPFTQ-UHFFFAOYSA-N -1 1 282.221 3.116 20 0 CGADMM O=C(N[C@H](CF)c1ccc(F)cc1)c1cccc([O-])c1F ZINC001587752877 963216724 /nfs/dbraw/zinc/21/67/24/963216724.db2.gz ZMSCXEURTVHUQW-GFCCVEGCSA-N -1 1 295.260 3.111 20 0 CGADMM CC(C)(CCOc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001589276126 963980411 /nfs/dbraw/zinc/98/04/11/963980411.db2.gz RPIRFKBVTAKFJP-UHFFFAOYSA-N -1 1 290.342 3.211 20 0 CGADMM CC(C)(CCOc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001589276126 963980417 /nfs/dbraw/zinc/98/04/17/963980417.db2.gz RPIRFKBVTAKFJP-UHFFFAOYSA-N -1 1 290.342 3.211 20 0 CGADMM O=C([O-])c1ccc(CNCc2cc(F)ccc2F)s1 ZINC000236470812 967776980 /nfs/dbraw/zinc/77/69/80/967776980.db2.gz DOZCQISCGBFSJJ-UHFFFAOYSA-N -1 1 283.299 3.014 20 0 CGADMM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1ccccc1C(C)C ZINC001591710581 975586326 /nfs/dbraw/zinc/58/63/26/975586326.db2.gz CXHRLLGLWHEKGY-INIZCTEOSA-N -1 1 293.407 3.120 20 0 CGADMM CC(C)c1[nH]c(CN2CC3(C2)CCCC3)cc1C(=O)[O-] ZINC001591912163 976338771 /nfs/dbraw/zinc/33/87/71/976338771.db2.gz FPWZFJQPQFMYRK-UHFFFAOYSA-N -1 1 276.380 3.212 20 0 CGADMM CC[C@@H](c1ccncc1)N(C)Cc1csc(C(=O)[O-])c1 ZINC001595364262 980792376 /nfs/dbraw/zinc/79/23/76/980792376.db2.gz RAPKLLQEJOUEKO-ZDUSSCGKSA-N -1 1 290.388 3.424 20 0 CGADMM CC[C@@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)CCCO1 ZINC001595486899 981230105 /nfs/dbraw/zinc/23/01/05/981230105.db2.gz GFPXMGORXXEPJH-GFCCVEGCSA-N -1 1 297.782 3.039 20 0 CGADMM CCc1ccc(CN(C)Cc2cc(C(=O)[O-])oc2C)cc1 ZINC001597525953 988166751 /nfs/dbraw/zinc/16/67/51/988166751.db2.gz DNIOUMRNXHPFJM-UHFFFAOYSA-N -1 1 287.359 3.481 20 0 CGADMM CCc1ccc(CNCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001597530087 988180311 /nfs/dbraw/zinc/18/03/11/988180311.db2.gz FDDLWAPTVHLWJJ-UHFFFAOYSA-N -1 1 287.334 3.376 20 0 CGADMM CCc1oc(CNCc2cccc(CC)c2)cc1C(=O)[O-] ZINC001597587287 988410814 /nfs/dbraw/zinc/41/08/14/988410814.db2.gz WBHHZWNEACCDDN-UHFFFAOYSA-N -1 1 287.359 3.392 20 0 CGADMM C[C@@](NCc1cc(F)ccc1F)(C(=O)[O-])c1ccccc1 ZINC001593293016 994680955 /nfs/dbraw/zinc/68/09/55/994680955.db2.gz RSSGIBHBMBLJPO-INIZCTEOSA-N -1 1 291.297 3.054 20 0 CGADMM C[C@H](NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001593297161 994700719 /nfs/dbraw/zinc/70/07/19/994700719.db2.gz SIDVUSFINOHYDJ-NSHDSACASA-N -1 1 273.307 3.375 20 0 CGADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC[C@@H](C(C)(C)C)C1 ZINC001593724337 996265112 /nfs/dbraw/zinc/26/51/12/996265112.db2.gz FIBLGGVVUZGILQ-WDEREUQCSA-N -1 1 280.368 3.192 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC2CC1(c1ccccc1)C2 ZINC000621011270 349442933 /nfs/dbraw/zinc/44/29/33/349442933.db2.gz LNGIAULEOQKCMU-UHFFFAOYSA-N -1 1 297.329 3.293 20 0 CGADMM CN(C[C@H]1CC1(C)C)C(=O)c1ccc(Cl)cc1[O-] ZINC000621053318 349454710 /nfs/dbraw/zinc/45/47/10/349454710.db2.gz AOJQGUPDFZTGDR-SECBINFHSA-N -1 1 267.756 3.164 20 0 CGADMM CCOc1cc(C(=O)N(C)CCC2CC2)cc(Cl)c1[O-] ZINC000273820150 192322036 /nfs/dbraw/zinc/32/20/36/192322036.db2.gz FSRWIMUEQIFAKM-UHFFFAOYSA-N -1 1 297.782 3.316 20 0 CGADMM CSc1ccccc1[C@@H](C)NC(=O)c1cncc([O-])c1 ZINC000337688015 214218988 /nfs/dbraw/zinc/21/89/88/214218988.db2.gz MBNUQWYXCAIPPC-SNVBAGLBSA-N -1 1 288.372 3.000 20 0 CGADMM CCc1[nH]nc(NC(=O)c2cc3ccccc3cc2[O-])c1C ZINC000155759838 529469615 /nfs/dbraw/zinc/46/96/15/529469615.db2.gz XRVZZKHCKUHENV-UHFFFAOYSA-N -1 1 295.342 3.392 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC(CC2CC2)C1 ZINC000622253149 349662759 /nfs/dbraw/zinc/66/27/59/349662759.db2.gz VFYABEHMNZTGBM-UHFFFAOYSA-N -1 1 281.355 3.418 20 0 CGADMM CCc1csc(NC(=O)c2ccc(CC)cc2[O-])n1 ZINC000622356527 349675002 /nfs/dbraw/zinc/67/50/02/349675002.db2.gz OEQBFIGFUQHRMH-UHFFFAOYSA-N -1 1 276.361 3.226 20 0 CGADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000290331421 197673883 /nfs/dbraw/zinc/67/38/83/197673883.db2.gz KGRLZWQWLDABQZ-ZJUUUORDSA-N -1 1 283.318 3.227 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C(C)=O)c2ccccc2)n1 ZINC000413007318 529566778 /nfs/dbraw/zinc/56/67/78/529566778.db2.gz SLMLFWDCEACSIP-AWEZNQCLSA-N -1 1 288.372 3.167 20 0 CGADMM CC[C@@H](NC(=O)c1ncc(C)cc1[O-])c1cccs1 ZINC000358595558 529678955 /nfs/dbraw/zinc/67/89/55/529678955.db2.gz CWOWBGZTYCALFV-SNVBAGLBSA-N -1 1 276.361 3.038 20 0 CGADMM CN(CC1CC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000037926130 529861177 /nfs/dbraw/zinc/86/11/77/529861177.db2.gz IVKXOXNWNKDAKV-UHFFFAOYSA-N -1 1 255.317 3.027 20 0 CGADMM CN(Cc1c(F)cccc1F)C(=O)c1ccc([O-])cc1F ZINC000436665764 529974614 /nfs/dbraw/zinc/97/46/14/529974614.db2.gz OYSYJWWCXLYSQE-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM O=C(CSc1ncc2ccccn21)c1ccc([O-])cc1 ZINC000026591850 344907635 /nfs/dbraw/zinc/90/76/35/344907635.db2.gz STJWJBHJXBGNKI-UHFFFAOYSA-N -1 1 284.340 3.015 20 0 CGADMM Cc1nc2cc(NC(=O)c3ccccc3[O-])ccc2o1 ZINC000029796080 344919783 /nfs/dbraw/zinc/91/97/83/344919783.db2.gz ZWOJKSZKXSSJRD-UHFFFAOYSA-N -1 1 268.272 3.094 20 0 CGADMM C[C@@H](c1cccs1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000051330626 345089462 /nfs/dbraw/zinc/08/94/62/345089462.db2.gz BWALEFQORCUMSL-VIFPVBQESA-N -1 1 265.334 3.232 20 0 CGADMM O=C(Nc1cccc(Cl)c1O)c1c([O-])cc(F)cc1F ZINC000077013107 345556734 /nfs/dbraw/zinc/55/67/34/345556734.db2.gz AGKHUFGQSKJISM-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM C[C@H]1C[C@H](C)N(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000162938965 232255114 /nfs/dbraw/zinc/25/51/14/232255114.db2.gz YVXIUWMTFSGIPW-RYUDHWBXSA-N -1 1 269.344 3.416 20 0 CGADMM CC(C)OCCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000126786782 346026885 /nfs/dbraw/zinc/02/68/85/346026885.db2.gz UCNWWRGSIQESHS-UHFFFAOYSA-N -1 1 296.314 3.108 20 0 CGADMM CSc1ccc(NC(=O)c2cncc([O-])c2)cc1Cl ZINC000176496645 232337077 /nfs/dbraw/zinc/33/70/77/232337077.db2.gz HZNLUOYHVCGPBJ-UHFFFAOYSA-N -1 1 294.763 3.415 20 0 CGADMM O=C(CC1CCCCCC1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000175759325 232324809 /nfs/dbraw/zinc/32/48/09/232324809.db2.gz YUZGZOODAPVEKO-UHFFFAOYSA-N -1 1 290.289 3.123 20 0 CGADMM O=c1cc(C2CC2)nc(SCC2CC(F)(F)C2)[n-]1 ZINC000295127659 199359168 /nfs/dbraw/zinc/35/91/68/199359168.db2.gz BWEPLJTVPOSORE-UHFFFAOYSA-N -1 1 272.320 3.197 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c1 ZINC000178791620 232397786 /nfs/dbraw/zinc/39/77/86/232397786.db2.gz KCCSUJDQLRXROC-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM C[C@@H](c1cccc(Cl)c1)N1CCSC[C@H]1CC(=O)[O-] ZINC000251522192 346388987 /nfs/dbraw/zinc/38/89/87/346388987.db2.gz LDSDATVUDCTTEZ-GXFFZTMASA-N -1 1 299.823 3.293 20 0 CGADMM Cc1cc(C(=O)CSc2ncc(C)c(=O)[n-]2)c(C)s1 ZINC000389100988 346571592 /nfs/dbraw/zinc/57/15/92/346571592.db2.gz IRFFUKOGTGJTST-UHFFFAOYSA-N -1 1 294.401 3.144 20 0 CGADMM Cc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000584637967 346701553 /nfs/dbraw/zinc/70/15/53/346701553.db2.gz HUIDCZWETNILDL-CQSZACIVSA-N -1 1 275.373 3.314 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cccc(OC(F)F)c1 ZINC000605434625 348155276 /nfs/dbraw/zinc/15/52/76/348155276.db2.gz ANIVFUXOORPNOS-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ncc2ccccc2c1[O-] ZINC000611746670 348473235 /nfs/dbraw/zinc/47/32/35/348473235.db2.gz BSGWERIMOBPCJW-WCQYABFASA-N -1 1 284.359 3.201 20 0 CGADMM Cc1ccn([C@@H](C)CC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000612760061 348544829 /nfs/dbraw/zinc/54/48/29/348544829.db2.gz QQZOLYXCNWGEKE-JTQLQIEISA-N -1 1 293.754 3.140 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccc(F)cc2F)c1=O ZINC000614185314 348656481 /nfs/dbraw/zinc/65/64/81/348656481.db2.gz OCBJDRFHEZZSMI-JTQLQIEISA-N -1 1 252.264 3.104 20 0 CGADMM CCCc1c(C)[n-]n(Cc2ccc(F)c(F)c2)c1=O ZINC000614186967 348656944 /nfs/dbraw/zinc/65/69/44/348656944.db2.gz MTASPJQMCBVGHD-NSHDSACASA-N -1 1 266.291 3.099 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(c2ccccc2C)CCCC1 ZINC000615216715 348722974 /nfs/dbraw/zinc/72/29/74/348722974.db2.gz CRZLHLFQQGTXRO-UHFFFAOYSA-N -1 1 299.374 3.183 20 0 CGADMM CCN(C(=O)c1ncc2ccccc2c1[O-])[C@@H](C)C(C)C ZINC000615007678 348706650 /nfs/dbraw/zinc/70/66/50/348706650.db2.gz UEGRVSNNYAZETD-LBPRGKRZSA-N -1 1 286.375 3.447 20 0 CGADMM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000617179186 348926551 /nfs/dbraw/zinc/92/65/51/348926551.db2.gz YQSNATZUTZRLLR-MRXNPFEDSA-N -1 1 296.370 3.381 20 0 CGADMM CC(C)c1ccc2c(c1)CN(C(=O)c1ncccc1[O-])CC2 ZINC000617608126 348983553 /nfs/dbraw/zinc/98/35/53/348983553.db2.gz KEGMOYHEGMNIBB-UHFFFAOYSA-N -1 1 296.370 3.109 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)C1CCC(F)CC1 ZINC000619956048 349296632 /nfs/dbraw/zinc/29/66/32/349296632.db2.gz VQUNCQMFKNSAEI-GRZMOONWSA-N -1 1 283.318 3.178 20 0 CGADMM CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc(F)ccc1[O-] ZINC000620686884 349411320 /nfs/dbraw/zinc/41/13/20/349411320.db2.gz KKCURPWSFJPRGN-ZDUSSCGKSA-N -1 1 299.345 3.333 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(C1CC1)C1CC1 ZINC000628815135 350605500 /nfs/dbraw/zinc/60/55/00/350605500.db2.gz QBACTLUHMQFIIC-UHFFFAOYSA-N -1 1 285.265 3.178 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H]2C[C@H]3C=C[C@@H]2C3)n1 ZINC000629176573 350663392 /nfs/dbraw/zinc/66/33/92/350663392.db2.gz YWZOUAYXFGYKAH-HBNTYKKESA-N -1 1 262.378 3.049 20 0 CGADMM Cc1cc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)oc1C(=O)[O-] ZINC000629364546 350677956 /nfs/dbraw/zinc/67/79/56/350677956.db2.gz NMGIFRBOJMAZAB-AOOOYVTPSA-N -1 1 287.306 3.009 20 0 CGADMM O=C(CC1CCCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629371466 350681612 /nfs/dbraw/zinc/68/16/12/350681612.db2.gz DRGDFJKAHXHDLP-UHFFFAOYSA-N -1 1 285.347 3.097 20 0 CGADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629379086 350685014 /nfs/dbraw/zinc/68/50/14/350685014.db2.gz MJZSKZDFQPJXKC-WMLDXEAASA-N -1 1 299.374 3.199 20 0 CGADMM CCCC[C@@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380665 350686077 /nfs/dbraw/zinc/68/60/77/350686077.db2.gz PCALPFRCRGDEMZ-GFCCVEGCSA-N -1 1 287.363 3.343 20 0 CGADMM CCCC(C)(C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630862623 350901589 /nfs/dbraw/zinc/90/15/89/350901589.db2.gz CHCGDDOCEAZYKT-UHFFFAOYSA-N -1 1 269.772 3.283 20 0 CGADMM CO[C@@H](CSc1nc(C)c(C2CC2)c(=O)[n-]1)C1CCC1 ZINC000631023389 350926588 /nfs/dbraw/zinc/92/65/88/350926588.db2.gz PHLXKTQXKIXXPL-LBPRGKRZSA-N -1 1 294.420 3.275 20 0 CGADMM Cc1nc(SCCOC(C)(C)C)[n-]c(=O)c1C1CC1 ZINC000631024093 350927884 /nfs/dbraw/zinc/92/78/84/350927884.db2.gz LCPKTDXORHUESD-UHFFFAOYSA-N -1 1 282.409 3.275 20 0 CGADMM CCC(C)(C)N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631375853 351032367 /nfs/dbraw/zinc/03/23/67/351032367.db2.gz OQRVWIFJXDLLKZ-UHFFFAOYSA-N -1 1 269.772 3.235 20 0 CGADMM CC[C@@H]1[C@H](C)CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632548553 351204327 /nfs/dbraw/zinc/20/43/27/351204327.db2.gz QPSOMNXZDQEHIR-ZWNOBZJWSA-N -1 1 281.783 3.235 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3nc4ccccc4s3)c(=O)c21 ZINC000634585522 351525476 /nfs/dbraw/zinc/52/54/76/351525476.db2.gz JGSRHUZNQKNAIA-PELKAZGASA-N -1 1 271.345 3.045 20 0 CGADMM CCc1c(C)[n-]n(-c2nccc3sccc32)c1=O ZINC000634596376 351532341 /nfs/dbraw/zinc/53/23/41/351532341.db2.gz FGIHVEKCPTZIMJ-SECBINFHSA-N -1 1 259.334 3.045 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(C(F)(F)F)cc3)c(=O)c21 ZINC000634595578 351532388 /nfs/dbraw/zinc/53/23/88/351532388.db2.gz GNPGYODITKUBGK-UFBFGSQYSA-N -1 1 282.265 3.454 20 0 CGADMM C[C@@H](c1ccc(Cl)cc1)n1[n-]c2c(c1=O)CCC2 ZINC000634601416 351536552 /nfs/dbraw/zinc/53/65/52/351536552.db2.gz MCKDXZJTPKOUOY-CABZTGNLSA-N -1 1 262.740 3.399 20 0 CGADMM Cc1[n-]n(-c2cc(F)cc(Cl)c2)c(=O)c1C1CC1 ZINC000634607018 351539512 /nfs/dbraw/zinc/53/95/12/351539512.db2.gz JZQYOUAAUDVSOY-LBPRGKRZSA-N -1 1 266.703 3.228 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(Cl)c(F)c3)c(=O)c21 ZINC000634616115 351544737 /nfs/dbraw/zinc/54/47/37/351544737.db2.gz BDHULGLYZAQGBO-JVXZTZIISA-N -1 1 266.703 3.228 20 0 CGADMM CCc1c(=O)n(-c2ccnc(C(F)(F)F)c2)[n-]c1C(C)C ZINC000634618431 351545495 /nfs/dbraw/zinc/54/54/95/351545495.db2.gz QMUOABXLXNAKDZ-SNVBAGLBSA-N -1 1 299.296 3.485 20 0 CGADMM O=c1c2c([n-]n1[C@@H]1CCc3c1cccc3F)CCCC2 ZINC000634631759 351553754 /nfs/dbraw/zinc/55/37/54/351553754.db2.gz BPTVYCFUQNSMDX-SWLSCSKDSA-N -1 1 272.323 3.201 20 0 CGADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ncoc1C ZINC000122714439 187047269 /nfs/dbraw/zinc/04/72/69/187047269.db2.gz HDUKURJATKVQQC-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM CSCCCCCCNC(=O)c1ccc([O-])cc1F ZINC000133652865 187699373 /nfs/dbraw/zinc/69/93/73/187699373.db2.gz RQGURXXBOAVGNR-UHFFFAOYSA-N -1 1 285.384 3.185 20 0 CGADMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000336402454 213261365 /nfs/dbraw/zinc/26/13/65/213261365.db2.gz AEMJMVXEZBBMKQ-UHFFFAOYSA-N -1 1 289.328 3.136 20 0 CGADMM Cc1ccccc1C1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000171871179 188764438 /nfs/dbraw/zinc/76/44/38/188764438.db2.gz OLTIBDLJTWXMFE-UHFFFAOYSA-N -1 1 296.370 3.115 20 0 CGADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])c(F)cc1F ZINC000340328479 215540663 /nfs/dbraw/zinc/54/06/63/215540663.db2.gz HIODPWGHOGRGHJ-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc(F)ccc1[O-] ZINC000436632818 237149172 /nfs/dbraw/zinc/14/91/72/237149172.db2.gz CQAGAYUJHHGAHA-JSGCOSHPSA-N -1 1 285.318 3.065 20 0 CGADMM C[C@H](F)CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000436535723 237124541 /nfs/dbraw/zinc/12/45/41/237124541.db2.gz OJKWKFVCBMXQAI-JTQLQIEISA-N -1 1 261.296 3.023 20 0 CGADMM COc1ncccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436560377 237127154 /nfs/dbraw/zinc/12/71/54/237127154.db2.gz FBVJCEMIMSUNQI-UHFFFAOYSA-N -1 1 286.331 3.172 20 0 CGADMM O=C(NC1CC(C(F)(F)F)C1)c1ccc(Cl)cc1[O-] ZINC000436742755 237171024 /nfs/dbraw/zinc/17/10/24/237171024.db2.gz XUBKKFDPHRLWFC-UHFFFAOYSA-N -1 1 293.672 3.116 20 0 CGADMM C/C(=C\c1ccccc1Cl)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000179402350 189191657 /nfs/dbraw/zinc/19/16/57/189191657.db2.gz UJKFPRNPOHTYHW-PLSXKVAHSA-N -1 1 295.766 3.318 20 0 CGADMM Cc1ccccc1[C@@H]1CN(CCCCC(=O)[O-])[C@H](C)CO1 ZINC000181567831 189301057 /nfs/dbraw/zinc/30/10/57/189301057.db2.gz GQQOLXPRFZMPFD-ZBFHGGJFSA-N -1 1 291.391 3.012 20 0 CGADMM CC(C)c1cccnc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000342745715 216506579 /nfs/dbraw/zinc/50/65/79/216506579.db2.gz PGXOCDLGKCYQLX-UHFFFAOYSA-N -1 1 290.388 3.147 20 0 CGADMM CC1(C)CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000335644829 212361151 /nfs/dbraw/zinc/36/11/51/212361151.db2.gz PHTXMVOMINNFHK-UHFFFAOYSA-N -1 1 277.393 3.019 20 0 CGADMM CC(=O)CCCCCSc1nc(C)c(C)c(=O)[n-]1 ZINC000450908313 240147655 /nfs/dbraw/zinc/14/76/55/240147655.db2.gz RWGCWBZVGKZYKP-UHFFFAOYSA-N -1 1 268.382 3.041 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1c(F)ccc(F)c1OC ZINC000120880905 370810554 /nfs/dbraw/zinc/81/05/54/370810554.db2.gz ZYQCRFBNAFHADC-UHFFFAOYSA-N -1 1 296.273 3.085 20 0 CGADMM C[C@@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CC1(F)F ZINC000335552406 212257148 /nfs/dbraw/zinc/25/71/48/212257148.db2.gz YKDOCFUDWTTZQY-JTQLQIEISA-N -1 1 261.655 3.029 20 0 CGADMM CC(C)(C)c1csc(NC(=O)c2ccccc2[O-])n1 ZINC000000318172 368340725 /nfs/dbraw/zinc/34/07/25/368340725.db2.gz LMOQTNYVJMAZKV-UHFFFAOYSA-N -1 1 276.361 3.399 20 0 CGADMM CC[C@H]1CC[C@H](NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000479450333 243105178 /nfs/dbraw/zinc/10/51/78/243105178.db2.gz UMFRZSNPMPSFEQ-MGCOHNPYSA-N -1 1 283.318 3.369 20 0 CGADMM O=C([O-])[C@@H]1CCCCN1Cc1cccc(Cl)c1Cl ZINC000003754680 368518910 /nfs/dbraw/zinc/51/89/10/368518910.db2.gz KHLNPHNQAULBBB-NSHDSACASA-N -1 1 288.174 3.433 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000029388677 368895859 /nfs/dbraw/zinc/89/58/59/368895859.db2.gz HNSYIILTDRSJIW-UHFFFAOYSA-N -1 1 298.268 3.199 20 0 CGADMM CCN(C(=O)c1ccc2ccccc2c1[O-])C(C)C ZINC000037082601 369059462 /nfs/dbraw/zinc/05/94/62/369059462.db2.gz QNGHNPHBFMAWMW-UHFFFAOYSA-N -1 1 257.333 3.416 20 0 CGADMM Cc1cccc([C@H]2CCCN2C(=O)c2cncc([O-])c2)c1 ZINC000111575465 370401673 /nfs/dbraw/zinc/40/16/73/370401673.db2.gz XHRIBDVDJZNQFL-MRXNPFEDSA-N -1 1 282.343 3.073 20 0 CGADMM O=S(=O)([N-]C[C@@H]1CC=CCC1)c1cc2ccccc2o1 ZINC000134050331 371298670 /nfs/dbraw/zinc/29/86/70/371298670.db2.gz AMBBUZFYMKGKGU-GFCCVEGCSA-N -1 1 291.372 3.067 20 0 CGADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000134615013 371354991 /nfs/dbraw/zinc/35/49/91/371354991.db2.gz AXWOEQREYPJAAH-UHFFFAOYSA-N -1 1 297.763 3.155 20 0 CGADMM C[C@@H](CNC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000134949173 371378072 /nfs/dbraw/zinc/37/80/72/371378072.db2.gz BFBAKKSXPJDNKZ-NSHDSACASA-N -1 1 273.307 3.065 20 0 CGADMM Cc1cnc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000134945686 371378896 /nfs/dbraw/zinc/37/88/96/371378896.db2.gz HSWQZZIUZLLCSD-MRVPVSSYSA-N -1 1 296.779 3.302 20 0 CGADMM CC[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000134977003 371381715 /nfs/dbraw/zinc/38/17/15/371381715.db2.gz GXTQNSFFTLOHEG-VIFPVBQESA-N -1 1 298.180 3.027 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000148890595 371525095 /nfs/dbraw/zinc/52/50/95/371525095.db2.gz MRVYALUSYQHHQU-GASCZTMLSA-N -1 1 281.355 3.418 20 0 CGADMM CC[C@@H](C)[C@@H]1CCCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000287962008 371720703 /nfs/dbraw/zinc/72/07/03/371720703.db2.gz YPSYLTPRXAWJHH-DOMZBBRYSA-N -1 1 289.375 3.002 20 0 CGADMM Cc1noc(C)c1[N-]C(=O)c1ccoc1C(F)(F)F ZINC000291236155 372144493 /nfs/dbraw/zinc/14/44/93/372144493.db2.gz FGNCLMGMHJNOLC-UHFFFAOYSA-N -1 1 274.198 3.156 20 0 CGADMM CC(C)COCCC[NH2+]Cc1cccc([O-])c1Cl ZINC000294135830 372592115 /nfs/dbraw/zinc/59/21/15/372592115.db2.gz OAYALNLYBBKPPR-UHFFFAOYSA-N -1 1 271.788 3.198 20 0 CGADMM CCCCOc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000171865672 372843389 /nfs/dbraw/zinc/84/33/89/372843389.db2.gz UAWWQBWIIYBGPX-UHFFFAOYSA-N -1 1 286.331 3.218 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1CC1CCCCC1 ZINC000171867992 372843606 /nfs/dbraw/zinc/84/36/06/372843606.db2.gz OIMXLLBQWHOHDT-OAHLLOKOSA-N -1 1 288.391 3.362 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@@H](C)Cc2ccccc2C)c([O-])c1 ZINC000446978362 373389699 /nfs/dbraw/zinc/38/96/99/373389699.db2.gz BZCTUVJFEFRXMJ-AWEZNQCLSA-N -1 1 298.386 3.107 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)[C@H](C)C(C)(F)F)[nH][n-]2)s1 ZINC000449834753 373940148 /nfs/dbraw/zinc/94/01/48/373940148.db2.gz MLTFQRFIUGPRBM-QMMMGPOBSA-N -1 1 299.346 3.098 20 0 CGADMM O=C(NCCc1ccc(Cl)cc1)c1ccc([O-])cc1F ZINC000181036840 374071373 /nfs/dbraw/zinc/07/13/73/374071373.db2.gz DVRMIYMXIUYNLU-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM C[C@@H](CCc1ccccc1)NC(=O)c1ccc([O-])cc1F ZINC000181054058 374074802 /nfs/dbraw/zinc/07/48/02/374074802.db2.gz VXDCRXIVHJCEJA-LBPRGKRZSA-N -1 1 287.334 3.282 20 0 CGADMM O=c1[nH]c2cc(NCc3cccc([O-])c3Cl)ccc2o1 ZINC000328191930 374360200 /nfs/dbraw/zinc/36/02/00/374360200.db2.gz DEXILTPBCLXMMT-UHFFFAOYSA-N -1 1 290.706 3.092 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2ccc([O-])cc2F)[C@H]1C(C)C ZINC000456328190 374514583 /nfs/dbraw/zinc/51/45/83/374514583.db2.gz JJXQARVCHDLINO-ZFWWWQNUSA-N -1 1 279.355 3.284 20 0 CGADMM CCc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000334207624 206192189 /nfs/dbraw/zinc/19/21/89/206192189.db2.gz DTUVSESKZOTEBF-UHFFFAOYSA-N -1 1 277.270 3.485 20 0 CGADMM O=C(NCC1CCC(F)(F)CC1)c1ccc([O-])cc1F ZINC000334199680 206181095 /nfs/dbraw/zinc/18/10/95/206181095.db2.gz MSQNKHSPMCFBQZ-UHFFFAOYSA-N -1 1 287.281 3.087 20 0 CGADMM CCC1(NC(=O)c2cc3ccccc3cc2[O-])CCOCC1 ZINC000332607802 374583380 /nfs/dbraw/zinc/58/33/80/374583380.db2.gz PASMXWJCLQTNCK-UHFFFAOYSA-N -1 1 299.370 3.234 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2cncc([O-])c2)CC12CCCCC2 ZINC000333731532 374617915 /nfs/dbraw/zinc/61/79/15/374617915.db2.gz JZDDZLLGXOSCLU-HNNXBMFYSA-N -1 1 288.391 3.218 20 0 CGADMM O=C([O-])[C@H]1CCCCN1Cc1cc2cc(F)ccc2o1 ZINC000334580531 374880762 /nfs/dbraw/zinc/88/07/62/374880762.db2.gz PRWNKCSLBFVQNP-CYBMUJFWSA-N -1 1 277.295 3.011 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(F)ccc1Cl ZINC000334602051 374897210 /nfs/dbraw/zinc/89/72/10/374897210.db2.gz IYUKRHOZJPARPF-ZJUUUORDSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(F)ccc1Cl ZINC000334602051 374897217 /nfs/dbraw/zinc/89/72/17/374897217.db2.gz IYUKRHOZJPARPF-ZJUUUORDSA-N -1 1 285.746 3.164 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H](C)c2cccc(OC)c2)n1 ZINC000188107716 375159158 /nfs/dbraw/zinc/15/91/58/375159158.db2.gz DPEVLJRMLULGOD-SNVBAGLBSA-N -1 1 290.388 3.194 20 0 CGADMM C[C@H]1CCN(Cc2ccc(Cl)c(F)c2)C[C@H]1C(=O)[O-] ZINC000335423442 375282705 /nfs/dbraw/zinc/28/27/05/375282705.db2.gz KAFGPLNHOJHYEQ-GXSJLCMTSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@@H]1CCN(Cc2cc(Cl)ccc2F)C[C@@H]1C(=O)[O-] ZINC000335445640 375300010 /nfs/dbraw/zinc/30/00/10/375300010.db2.gz YBRIEIGFLSGILE-SKDRFNHKSA-N -1 1 285.746 3.022 20 0 CGADMM CC1(C)CN(C(=O)c2ccc(Cl)cc2[O-])CC(C)(C)O1 ZINC000189650050 375429659 /nfs/dbraw/zinc/42/96/59/375429659.db2.gz ZJFGUKYQPBXNTG-UHFFFAOYSA-N -1 1 297.782 3.075 20 0 CGADMM O=C(Nc1scnc1C1CC1)c1cc(F)ccc1[O-] ZINC000336143904 375722044 /nfs/dbraw/zinc/72/20/44/375722044.db2.gz QXEVJIHRRXLEIT-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000336528608 375807754 /nfs/dbraw/zinc/80/77/54/375807754.db2.gz GPNUHVUDTSDTNX-AUECHBEKSA-N -1 1 294.354 3.105 20 0 CGADMM [O-]c1cccc(CNCc2cccc3c2OCO3)c1Cl ZINC000336885478 376017532 /nfs/dbraw/zinc/01/75/32/376017532.db2.gz ANSVTWHCWSRLRJ-UHFFFAOYSA-N -1 1 291.734 3.064 20 0 CGADMM COc1ccc(NCc2cccc([O-])c2Cl)cn1 ZINC000336907012 376029157 /nfs/dbraw/zinc/02/91/57/376029157.db2.gz YNLGWRMDHMLOMT-UHFFFAOYSA-N -1 1 264.712 3.061 20 0 CGADMM Cc1nc(SC[C@H](C)C(F)(F)F)[n-]c(=O)c1C ZINC000537414878 376169359 /nfs/dbraw/zinc/16/93/59/376169359.db2.gz XSDTXUAHZTVLCL-YFKPBYRVSA-N -1 1 266.288 3.090 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@@H](C)C2CCCCC2)c([O-])c1 ZINC000338350537 376345427 /nfs/dbraw/zinc/34/54/27/376345427.db2.gz ZVGJHEXFRKIKPC-LBPRGKRZSA-N -1 1 276.380 3.136 20 0 CGADMM CCCN(CC)C(=O)c1ccc(Br)c([O-])c1 ZINC000231326369 376556265 /nfs/dbraw/zinc/55/62/65/376556265.db2.gz ITZDRKFLPVQSHO-UHFFFAOYSA-N -1 1 286.169 3.027 20 0 CGADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000231348284 376556412 /nfs/dbraw/zinc/55/64/12/376556412.db2.gz HZJOYSBWPIFEKU-RKDXNWHRSA-N -1 1 298.180 3.025 20 0 CGADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(F)ccc1[O-] ZINC000245726702 376892948 /nfs/dbraw/zinc/89/29/48/376892948.db2.gz DUDJYATYTNETJJ-UHIISALHSA-N -1 1 277.339 3.325 20 0 CGADMM Cc1nc(-c2ccc(NC[C@H]3CC34CC4)nc2)[n-]c(=O)c1C ZINC000557245264 376926063 /nfs/dbraw/zinc/92/60/63/376926063.db2.gz AZQACIQYXBQBOO-CYBMUJFWSA-N -1 1 296.374 3.073 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc2cc(F)ccc2[nH]1 ZINC000340327373 377002425 /nfs/dbraw/zinc/00/24/25/377002425.db2.gz IKFKERRPXZIYCU-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(Cl)c1 ZINC000340328903 377004655 /nfs/dbraw/zinc/00/46/55/377004655.db2.gz NLKNGKCIDPNNBA-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM C[C@H]1C[C@@H](CSc2nc(C(F)F)cc(=O)[n-]2)CCO1 ZINC000514893809 249193424 /nfs/dbraw/zinc/19/34/24/249193424.db2.gz RSPNNZHZOSJXNG-YUMQZZPRSA-N -1 1 290.335 3.027 20 0 CGADMM C[C@H]1C[C@H](CSc2nc(C(F)F)cc(=O)[n-]2)CCO1 ZINC000514893807 249193860 /nfs/dbraw/zinc/19/38/60/249193860.db2.gz RSPNNZHZOSJXNG-JGVFFNPUSA-N -1 1 290.335 3.027 20 0 CGADMM C[C@H](c1ccco1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000514953163 249195678 /nfs/dbraw/zinc/19/56/78/249195678.db2.gz ZHJUKKVKQSBLRZ-SNVBAGLBSA-N -1 1 277.295 3.310 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCOCCC(C)C)n1 ZINC000515598871 249217473 /nfs/dbraw/zinc/21/74/73/249217473.db2.gz HFZLUMBEUIJHQA-UHFFFAOYSA-N -1 1 284.425 3.290 20 0 CGADMM CCc1ccc(CSc2nc(CC)c(C)c(=O)[n-]2)nc1 ZINC000516492051 249234336 /nfs/dbraw/zinc/23/43/36/249234336.db2.gz FCTHTCHMUXVMCQ-UHFFFAOYSA-N -1 1 289.404 3.303 20 0 CGADMM O=C(c1cccc2nn[nH]c21)N1CCC2(CCCCC2)CC1 ZINC000182758913 542226039 /nfs/dbraw/zinc/22/60/39/542226039.db2.gz NLIVDSZWRRQENE-UHFFFAOYSA-N -1 1 298.390 3.144 20 0 CGADMM CCc1ccc([C@H]2CCCN2Cc2occc2C(=O)[O-])o1 ZINC000577878450 378020083 /nfs/dbraw/zinc/02/00/83/378020083.db2.gz JDFVOCNZURYFFT-CYBMUJFWSA-N -1 1 289.331 3.470 20 0 CGADMM CCC[C@@H](C)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000639150506 379075997 /nfs/dbraw/zinc/07/59/97/379075997.db2.gz WLMCOKMUUXKHEY-SECBINFHSA-N -1 1 285.771 3.363 20 0 CGADMM O=C(c1cncc([O-])c1)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000336403561 296290052 /nfs/dbraw/zinc/29/00/52/296290052.db2.gz JDUUYQBRNXAQDZ-CQSZACIVSA-N -1 1 288.734 3.028 20 0 CGADMM COC(=O)c1c[n-]c(SCCCCC(F)(F)F)n1 ZINC000278731586 194128502 /nfs/dbraw/zinc/12/85/02/194128502.db2.gz UNNZULKJUCOKNG-UHFFFAOYSA-N -1 1 282.287 3.021 20 0 CGADMM CCCCCN(C(=O)c1cc(F)cc2nn[nH]c21)C(C)C ZINC000277317440 379129270 /nfs/dbraw/zinc/12/92/70/379129270.db2.gz FNEHNMNMQWQFGG-UHFFFAOYSA-N -1 1 292.358 3.138 20 0 CGADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(F)cc1[O-] ZINC000347547689 218269502 /nfs/dbraw/zinc/26/95/02/218269502.db2.gz POPOGIFXZKDAKC-ZJUUUORDSA-N -1 1 251.301 3.296 20 0 CGADMM CSCCCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000277883170 379257900 /nfs/dbraw/zinc/25/79/00/379257900.db2.gz CJKZLZOZUBQDJP-UHFFFAOYSA-N -1 1 282.340 3.267 20 0 CGADMM CSC[C@@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278136931 379299390 /nfs/dbraw/zinc/29/93/90/379299390.db2.gz KXHMZCJIXMBVJS-SSDOTTSWSA-N -1 1 268.313 3.048 20 0 CGADMM CCOc1cc(-c2noc([C@@H](C)OC)n2)cc(Cl)c1[O-] ZINC000350794407 379585175 /nfs/dbraw/zinc/58/51/75/379585175.db2.gz POVDMPBMPGFNEQ-SSDOTTSWSA-N -1 1 298.726 3.202 20 0 CGADMM CN(CC1CCCCC1)C(=O)c1c(F)ccc([O-])c1F ZINC000280802605 379794391 /nfs/dbraw/zinc/79/43/91/379794391.db2.gz POBZDCUHWYHCCQ-UHFFFAOYSA-N -1 1 283.318 3.323 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc([O-])c2F)[C@@H]1C ZINC000283131932 380037356 /nfs/dbraw/zinc/03/73/56/380037356.db2.gz ZQRWYQYZIUCZBY-KKZNHRDASA-N -1 1 283.318 3.225 20 0 CGADMM CCOc1c(Cl)cccc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000414683015 380371217 /nfs/dbraw/zinc/37/12/17/380371217.db2.gz OQPNQYCBVVIEDO-LBPRGKRZSA-N -1 1 297.782 3.035 20 0 CGADMM CCc1ccc(C(=O)Nc2ccc(F)cc2[O-])c(C)n1 ZINC000355131891 380590460 /nfs/dbraw/zinc/59/04/60/380590460.db2.gz VGIQONXCLBYTAE-UHFFFAOYSA-N -1 1 274.295 3.049 20 0 CGADMM O=C(Nc1cc(-c2ccccc2)ns1)c1cncc([O-])c1 ZINC000355484957 380684109 /nfs/dbraw/zinc/68/41/09/380684109.db2.gz LMELVLYWDSGZHI-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000355544151 380706441 /nfs/dbraw/zinc/70/64/41/380706441.db2.gz JMMXESNJHJLXQD-UHFFFAOYSA-N -1 1 291.297 3.251 20 0 CGADMM O=C([O-])[C@@H]1C=C[C@@H](NCc2cc(Cl)sc2Cl)C1 ZINC000417616930 380653979 /nfs/dbraw/zinc/65/39/79/380653979.db2.gz HTCYSVNWSVIEEL-HTRCEHHLSA-N -1 1 292.187 3.174 20 0 CGADMM Cc1ccc([C@@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000363746173 382252103 /nfs/dbraw/zinc/25/21/03/382252103.db2.gz KEKMWEWPLWYUFB-CQSZACIVSA-N -1 1 299.345 3.469 20 0 CGADMM COc1ccccc1[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000436942930 532967343 /nfs/dbraw/zinc/96/73/43/532967343.db2.gz CXQYHIICPRSSLX-SNVBAGLBSA-N -1 1 289.306 3.031 20 0 CGADMM CC[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289373415 197317540 /nfs/dbraw/zinc/31/75/40/197317540.db2.gz LUFIQNUSXIEEIA-ZJUUUORDSA-N -1 1 283.318 3.369 20 0 CGADMM CC(C)c1ccc(-c2nc3ccc(O)cc3c(=O)[n-]2)cn1 ZINC000345743130 542506915 /nfs/dbraw/zinc/50/69/15/542506915.db2.gz VRSGOWJRCBYGHS-UHFFFAOYSA-N -1 1 281.315 3.226 20 0 CGADMM CO[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436586591 533227824 /nfs/dbraw/zinc/22/78/24/533227824.db2.gz BQZQMNGHPWZVEB-RDJZCZTQSA-N -1 1 299.370 3.233 20 0 CGADMM Cc1nc(CCC(=O)Nc2ccc([O-])c(Cl)c2)cs1 ZINC000733369942 572559538 /nfs/dbraw/zinc/55/95/38/572559538.db2.gz ZNANMIOLXHZWCY-UHFFFAOYSA-N -1 1 296.779 3.382 20 0 CGADMM CO[C@@H]1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436603594 533389958 /nfs/dbraw/zinc/38/99/58/533389958.db2.gz MANGIOCEXKMDPY-WMLDXEAASA-N -1 1 299.370 3.090 20 0 CGADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1c([O-])cccc1F ZINC000436824098 533529900 /nfs/dbraw/zinc/52/99/00/533529900.db2.gz YPUXDXRUVBJBOX-QMMMGPOBSA-N -1 1 293.260 3.382 20 0 CGADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccsc2)cc1C ZINC000438781102 533604182 /nfs/dbraw/zinc/60/41/82/533604182.db2.gz UIJPAMDDBLAFBH-UHFFFAOYSA-N -1 1 297.401 3.174 20 0 CGADMM Cc1oc(CN(C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000048875702 392023810 /nfs/dbraw/zinc/02/38/10/392023810.db2.gz RHAKWAFPQGKVPR-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM C[C@H](CC1CC1)NC(=O)c1ccc(Br)cc1[O-] ZINC000070104943 392176794 /nfs/dbraw/zinc/17/67/94/392176794.db2.gz LVJBPBCRJKOWFO-MRVPVSSYSA-N -1 1 298.180 3.073 20 0 CGADMM Cc1cnc(-c2cccc(NC(=O)c3cncc([O-])c3)c2)o1 ZINC000111618890 392382154 /nfs/dbraw/zinc/38/21/54/392382154.db2.gz ZWDNDKBWAOEYBU-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM CCCC[C@@H](CC)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505725589 392691171 /nfs/dbraw/zinc/69/11/71/392691171.db2.gz LMYRFUNMROIWKW-LLVKDONJSA-N -1 1 293.363 3.334 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CCC[C@H](C(C)C)C2)s[n-]1 ZINC000509697251 392768287 /nfs/dbraw/zinc/76/82/87/392768287.db2.gz JDXCNCLEMZJSSO-GRYCIOLGSA-N -1 1 283.441 3.294 20 0 CGADMM CC[C@H](C)[C@H](C(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000647816810 392809260 /nfs/dbraw/zinc/80/92/60/392809260.db2.gz WLYHGFUTSYXFQY-GWCFXTLKSA-N -1 1 287.363 3.192 20 0 CGADMM C[C@H]1SCC[C@@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000380353425 392903693 /nfs/dbraw/zinc/90/36/93/392903693.db2.gz YXJZYPMHAGMGRX-YGRLFVJLSA-N -1 1 287.384 3.169 20 0 CGADMM CC(C)c1cccc(N(C)C(=O)c2ccc(O)cc2[O-])c1 ZINC000194289534 392912265 /nfs/dbraw/zinc/91/22/65/392912265.db2.gz AJPHNJSFQZZOHJ-UHFFFAOYSA-N -1 1 285.343 3.498 20 0 CGADMM Cc1noc(C)c1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000194280034 392912422 /nfs/dbraw/zinc/91/24/22/392912422.db2.gz ZNLFTIUNBMITPX-UHFFFAOYSA-N -1 1 296.326 3.080 20 0 CGADMM CC(C)(C)Oc1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1 ZINC000491809977 542718166 /nfs/dbraw/zinc/71/81/66/542718166.db2.gz JMEUIHIUYOESEX-UHFFFAOYSA-N -1 1 295.342 3.162 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(OC(F)(F)F)cc2)[n-]1 ZINC000196208531 392975508 /nfs/dbraw/zinc/97/55/08/392975508.db2.gz AKOKUNXDTWTQNW-UHFFFAOYSA-N -1 1 286.253 3.478 20 0 CGADMM C[C@@H]1CCN(Cc2cccc([O-])c2Cl)C[C@@H]1F ZINC000646153372 393230806 /nfs/dbraw/zinc/23/08/06/393230806.db2.gz PUAGHENXKMTBGD-KOLCDFICSA-N -1 1 257.736 3.226 20 0 CGADMM CC[C@@H](C)[C@@H](C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000356331023 393421513 /nfs/dbraw/zinc/42/15/13/393421513.db2.gz CPGTTZGDAVXIGK-NXEZZACHSA-N -1 1 277.393 3.181 20 0 CGADMM CC(C)CC1(C)CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000356461584 393452653 /nfs/dbraw/zinc/45/26/53/393452653.db2.gz RRJLNDXSGZDHLO-UHFFFAOYSA-N -1 1 276.380 3.076 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc2[nH]ccc2s1 ZINC000356563166 393485595 /nfs/dbraw/zinc/48/55/95/393485595.db2.gz HHLAKQJNFLGBAW-UHFFFAOYSA-N -1 1 276.292 3.326 20 0 CGADMM CSc1cc(O)ccc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000489087753 393574866 /nfs/dbraw/zinc/57/48/66/393574866.db2.gz JXLLPNFHYORZGI-UHFFFAOYSA-N -1 1 292.360 3.478 20 0 CGADMM CC(C)c1cc(-c2nc(-c3ccc([O-])cc3F)no2)on1 ZINC000445453074 393795262 /nfs/dbraw/zinc/79/52/62/393795262.db2.gz AAJLKIADZRKLGJ-UHFFFAOYSA-N -1 1 289.266 3.360 20 0 CGADMM Cc1ccc(O)c(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445453690 393795653 /nfs/dbraw/zinc/79/56/53/393795653.db2.gz CFLBLRQLZUZCKN-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM CC(C)CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445457459 393796843 /nfs/dbraw/zinc/79/68/43/393796843.db2.gz SKLOVOSJAJZEFF-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C/c3ccc[nH]3)n2)c(F)c1 ZINC000445462324 393797426 /nfs/dbraw/zinc/79/74/26/393797426.db2.gz KMSFYQMAWNZHHU-ZZXKWVIFSA-N -1 1 271.251 3.080 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CC=CCC3)n2)c(F)c1 ZINC000445463918 393797757 /nfs/dbraw/zinc/79/77/57/393797757.db2.gz RRODOPDTAFVGRD-VIFPVBQESA-N -1 1 260.268 3.405 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\c3ccc[nH]3)n2)cc1F ZINC000445479108 393798795 /nfs/dbraw/zinc/79/87/95/393798795.db2.gz IXYIPNNMCYYAIV-XQRVVYSFSA-N -1 1 271.251 3.080 20 0 CGADMM CC(C)CN(C(=O)c1ncc2ccccc2c1[O-])C(C)C ZINC000667762031 542926570 /nfs/dbraw/zinc/92/65/70/542926570.db2.gz KFELIWVHRWSRNZ-UHFFFAOYSA-N -1 1 286.375 3.447 20 0 CGADMM Cc1cc2ccc(C(=O)Nc3c([O-])cccc3F)cn2c1 ZINC000672901335 543229703 /nfs/dbraw/zinc/22/97/03/543229703.db2.gz OGPQKXLZQPYEBK-UHFFFAOYSA-N -1 1 284.290 3.345 20 0 CGADMM CCc1c(C)[n-]n(Cc2ccc(Cl)cc2)c1=O ZINC000109362657 397653636 /nfs/dbraw/zinc/65/36/36/397653636.db2.gz HUJUPKHJUUIHNT-LBPRGKRZSA-N -1 1 250.729 3.084 20 0 CGADMM CC[C@H](C(=O)[O-])N(C)Cc1c(F)cc(C)cc1Cl ZINC000650804320 397926091 /nfs/dbraw/zinc/92/60/91/397926091.db2.gz ABVIRSSXEJRTPH-GFCCVEGCSA-N -1 1 273.735 3.083 20 0 CGADMM O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccccc1 ZINC000678479666 543529610 /nfs/dbraw/zinc/52/96/10/543529610.db2.gz ZICXTABTFFALMC-UHFFFAOYSA-N -1 1 273.357 3.365 20 0 CGADMM C[C@H]1CC2(CCC2)CN1C(=O)c1c(F)ccc([O-])c1F ZINC000335188034 299733289 /nfs/dbraw/zinc/73/32/89/299733289.db2.gz CEJHSWKMCURWNT-VIFPVBQESA-N -1 1 281.302 3.075 20 0 CGADMM CC[C@@H](c1ccccc1)S(=O)(=O)c1ccc([O-])cc1 ZINC000078797405 165139007 /nfs/dbraw/zinc/13/90/07/165139007.db2.gz WSYNWXBXDMUPIJ-HNNXBMFYSA-N -1 1 276.357 3.317 20 0 CGADMM C[C@]1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000087761608 165189345 /nfs/dbraw/zinc/18/93/45/165189345.db2.gz YWMPFYWAWVPBEI-ZDUSSCGKSA-N -1 1 288.174 3.290 20 0 CGADMM C[C@H](Cc1ccccc1F)NC(=O)c1c([O-])cccc1F ZINC000120568414 287183889 /nfs/dbraw/zinc/18/38/89/287183889.db2.gz LVVVHZZNYMFRPI-SNVBAGLBSA-N -1 1 291.297 3.031 20 0 CGADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(Cl)cc1[O-] ZINC000124686989 287235941 /nfs/dbraw/zinc/23/59/41/287235941.db2.gz FPNANXQGYCLEPE-KOLCDFICSA-N -1 1 267.756 3.449 20 0 CGADMM CC(C)Cc1nnc([N-]C(=O)c2ccc(Cl)o2)s1 ZINC000021747345 171321520 /nfs/dbraw/zinc/32/15/20/171321520.db2.gz QUXBEZUIDVDPBX-UHFFFAOYSA-N -1 1 285.756 3.235 20 0 CGADMM CCn1cc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000035249038 172079374 /nfs/dbraw/zinc/07/93/74/172079374.db2.gz HTBAQTITJFBTOD-UHFFFAOYSA-N -1 1 281.315 3.014 20 0 CGADMM C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)C1CCCCC1 ZINC000128069518 287302979 /nfs/dbraw/zinc/30/29/79/287302979.db2.gz ILSYUHACJSSACW-GFCCVEGCSA-N -1 1 298.386 3.227 20 0 CGADMM CC1(C(=O)[O-])CCN(Cc2c(F)cccc2Cl)CC1 ZINC000062844126 416487078 /nfs/dbraw/zinc/48/70/78/416487078.db2.gz PFBMNXSOYVSQPM-UHFFFAOYSA-N -1 1 285.746 3.166 20 0 CGADMM CC[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@@H](C)CO1 ZINC000403876454 416550640 /nfs/dbraw/zinc/55/06/40/416550640.db2.gz MSZAXBINDLPAHH-SWLSCSKDSA-N -1 1 299.370 3.185 20 0 CGADMM CC(C)O[C@@H]1CCC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000404573737 416555484 /nfs/dbraw/zinc/55/54/84/416555484.db2.gz JNLSDVJJCSZBHZ-CYBMUJFWSA-N -1 1 283.799 3.435 20 0 CGADMM CCOc1cccnc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129554045 287334571 /nfs/dbraw/zinc/33/45/71/287334571.db2.gz WKWRHRGIFTYVIL-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM COCCC1(CNC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000129608576 287335869 /nfs/dbraw/zinc/33/58/69/287335869.db2.gz HTGGLVLEMPPQIS-UHFFFAOYSA-N -1 1 299.370 3.092 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1F ZINC000679260629 543609652 /nfs/dbraw/zinc/60/96/52/543609652.db2.gz ZKVGJRUYZXVZIE-IAQYHMDHSA-N -1 1 287.334 3.366 20 0 CGADMM Cc1cc(C)c(CNC(=O)c2ccc([O-])c(F)c2)c(C)c1 ZINC000681017313 543757337 /nfs/dbraw/zinc/75/73/37/543757337.db2.gz QBVOLKZZFUXDJY-UHFFFAOYSA-N -1 1 287.334 3.387 20 0 CGADMM CC(C)c1csc(NC(=O)c2ccc([O-])c(F)c2)n1 ZINC000681021847 543758337 /nfs/dbraw/zinc/75/83/37/543758337.db2.gz SBOWICMRAPKYCO-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM CC1(C)CCCC[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681055236 543762095 /nfs/dbraw/zinc/76/20/95/543762095.db2.gz ANFGJWCQNSGPOT-ZDUSSCGKSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1ccccc1CC1CN(C(=O)c2ccc([O-])cc2F)C1 ZINC000681530815 543793474 /nfs/dbraw/zinc/79/34/74/543793474.db2.gz MTBQNEWDHZTMEZ-UHFFFAOYSA-N -1 1 299.345 3.154 20 0 CGADMM CC[C@H](C)n1ncc(C(=O)Nc2c([O-])cccc2F)c1C ZINC000682925531 543879403 /nfs/dbraw/zinc/87/94/03/543879403.db2.gz BSWZQSAQAGOHPP-VIFPVBQESA-N -1 1 291.326 3.260 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2ccncc2)n1 ZINC000683453858 543915723 /nfs/dbraw/zinc/91/57/23/543915723.db2.gz OEMNEMQICZFKFO-SNVBAGLBSA-N -1 1 275.377 3.383 20 0 CGADMM CC[C@H](C)[C@@H](NC(=O)c1ccc([O-])c(F)c1)C(F)(F)F ZINC000683514967 543918997 /nfs/dbraw/zinc/91/89/97/543918997.db2.gz 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/nfs/dbraw/zinc/01/42/86/419014286.db2.gz FCJZTQHIUWZWLD-ZDUSSCGKSA-N -1 1 292.310 3.459 20 0 CGADMM CC[C@@H](CC(F)F)C(=O)Nc1c([O-])cccc1F ZINC000655032605 419016877 /nfs/dbraw/zinc/01/68/77/419016877.db2.gz MKSFNEMASDJQMK-ZETCQYMHSA-N -1 1 261.243 3.151 20 0 CGADMM CC[C@](C)(OC)c1noc(-c2cc(SC)ccc2[O-])n1 ZINC000664886816 419020803 /nfs/dbraw/zinc/02/08/03/419020803.db2.gz LXEDFUMUJBPOJS-AWEZNQCLSA-N -1 1 294.376 3.436 20 0 CGADMM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C(F)(F)F)c([O-])c1 ZINC000655420546 419048552 /nfs/dbraw/zinc/04/85/52/419048552.db2.gz GOMCQWHLZJDXIU-QRTLGDNMSA-N -1 1 299.292 3.329 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1nc2c(s1)CCC2 ZINC000652877985 418998591 /nfs/dbraw/zinc/99/85/91/418998591.db2.gz NTIUDLXPBSQYES-UHFFFAOYSA-N -1 1 291.401 3.001 20 0 CGADMM CC[C@H](c1ccc(Cl)cc1)N(C)Cc1n[n-]c(=O)o1 ZINC000660849882 419204201 /nfs/dbraw/zinc/20/42/01/419204201.db2.gz HBRFPIXJPWLCOC-LLVKDONJSA-N -1 1 281.743 3.012 20 0 CGADMM Cc1nccc(N2CCC[C@@H](CCC(=O)[O-])C2)c1Cl 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C[C@@H]1CC[C@H](NC(=O)c2c([O-])cccc2F)C[C@@H]1C ZINC000228867212 270088373 /nfs/dbraw/zinc/08/83/73/270088373.db2.gz JIBQDHMNXKLGIY-VWYCJHECSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000528171554 270156302 /nfs/dbraw/zinc/15/63/02/270156302.db2.gz URQSDYDDDJXAAZ-YDEXJTGXSA-N -1 1 292.310 3.108 20 0 CGADMM CCC(NC(=O)c1ccc([O-])c(F)c1)(C1CC1)C1CC1 ZINC000529799991 270188659 /nfs/dbraw/zinc/18/86/59/270188659.db2.gz LYWUADLMZNBJLZ-UHFFFAOYSA-N -1 1 277.339 3.230 20 0 CGADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1cc(F)ccc1[O-] ZINC000530712586 270202486 /nfs/dbraw/zinc/20/24/86/270202486.db2.gz LOARIZGKZAGKTA-AWEZNQCLSA-N -1 1 289.281 3.088 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2cc(F)ccc2[O-])o1 ZINC000531190233 270204875 /nfs/dbraw/zinc/20/48/75/270204875.db2.gz PVDWXPZUHHVXEH-SKDRFNHKSA-N -1 1 289.306 3.178 20 0 CGADMM C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000532621053 270217920 /nfs/dbraw/zinc/21/79/20/270217920.db2.gz LNQGKTJSGKDROO-CMPLNLGQSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@H]1CSC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000397839773 288031982 /nfs/dbraw/zinc/03/19/82/288031982.db2.gz GGFOFIZQODHHFR-IINYFYTJSA-N -1 1 287.384 3.027 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2cc(F)ccc2[O-])CC1(C)C ZINC000294004616 280060620 /nfs/dbraw/zinc/06/06/20/280060620.db2.gz SGHNEIACJWAYON-ZDUSSCGKSA-N -1 1 265.328 3.038 20 0 CGADMM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cccc(F)c2[O-])C1 ZINC000530004550 288281106 /nfs/dbraw/zinc/28/11/06/288281106.db2.gz BTSPKNOYPOMOFE-GHMZBOCLSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@H]1CCC[C@@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000530006381 288282113 /nfs/dbraw/zinc/28/21/13/288282113.db2.gz RSAWQAODCRVFRE-VHSXEESVSA-N -1 1 251.301 3.296 20 0 CGADMM CC(C)(C)[C@@H](NC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000547796906 288976893 /nfs/dbraw/zinc/97/68/93/288976893.db2.gz CHERZKQKMVCUGK-LLVKDONJSA-N -1 1 293.260 3.238 20 0 CGADMM O=c1nc([C@@H]2CCCO2)[n-]c2sc3ccccc3c21 ZINC000446995185 304847947 /nfs/dbraw/zinc/84/79/47/304847947.db2.gz CTHLBQHPWACKDO-VIFPVBQESA-N -1 1 272.329 3.402 20 0 CGADMM [O-]c1ccc(-c2noc([C@]34C[C@H]3CCC4)n2)c(F)c1 ZINC000564807480 322043929 /nfs/dbraw/zinc/04/39/29/322043929.db2.gz WPLVMZPVIGJZDO-XLKFXECMSA-N -1 1 260.268 3.023 20 0 CGADMM Cc1cnc(SCC23CCC(CC2)C3)[n-]c1=O ZINC000565241015 322069194 /nfs/dbraw/zinc/06/91/94/322069194.db2.gz NEYJIIHVUHZFIK-UHFFFAOYSA-N -1 1 250.367 3.163 20 0 CGADMM C[C@H]1CN(CCCCCC(=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000568772455 322222247 /nfs/dbraw/zinc/22/22/47/322222247.db2.gz SNOVCWSYJMPUDB-HOCLYGCPSA-N -1 1 291.391 3.093 20 0 CGADMM O=C([O-])[C@@H](NCc1ccc(F)cc1F)c1cccc(F)c1 ZINC000571235032 322293778 /nfs/dbraw/zinc/29/37/78/322293778.db2.gz HNPNGDMDEZBUGG-AWEZNQCLSA-N -1 1 295.260 3.019 20 0 CGADMM Cc1cc(-c2noc(-c3cc(F)ccc3[O-])n2)ccc1O ZINC000571274594 322294563 /nfs/dbraw/zinc/29/45/63/322294563.db2.gz ITPIFQHYQFICCL-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM CCC[C@@H](CCc1ccccc1)NC(=O)c1cncc([O-])c1 ZINC000571466517 322299712 /nfs/dbraw/zinc/29/97/12/322299712.db2.gz FLMTUOSRRYNPKH-INIZCTEOSA-N -1 1 298.386 3.319 20 0 CGADMM CCc1nc(SCCC(F)(F)F)[n-]c(=O)c1C ZINC000572059835 322318247 /nfs/dbraw/zinc/31/82/47/322318247.db2.gz JAISYWMWFACOQF-UHFFFAOYSA-N -1 1 266.288 3.098 20 0 CGADMM Cc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)oc1C(=O)[O-] ZINC000582670965 329122631 /nfs/dbraw/zinc/12/26/31/329122631.db2.gz DCFWGROZOUXSCI-QWHCGFSZSA-N -1 1 295.404 3.146 20 0 CGADMM O=C(Nc1ccc(CC(F)(F)F)cc1)c1cncc([O-])c1 ZINC000175559443 335187845 /nfs/dbraw/zinc/18/78/45/335187845.db2.gz CGFAVGJZPGCVCH-UHFFFAOYSA-N -1 1 296.248 3.144 20 0 CGADMM Cc1cccc2c(=O)c(C(=O)N(C)C3CC(C)(C)C3)c[nH]c12 ZINC000576683284 335234201 /nfs/dbraw/zinc/23/42/01/335234201.db2.gz VWFRXFJNXIWDEZ-UHFFFAOYSA-N -1 1 298.386 3.097 20 0 CGADMM O=C([O-])c1occc1CN1Cc2ccccc2C2(CC2)C1 ZINC000576950393 335268516 /nfs/dbraw/zinc/26/85/16/335268516.db2.gz FPNAUDVRDLEIPZ-UHFFFAOYSA-N -1 1 283.327 3.025 20 0 CGADMM Cc1cc(C)cc(CSc2ncc(C)c(=O)[n-]2)c1 ZINC000577291981 335336434 /nfs/dbraw/zinc/33/64/34/335336434.db2.gz HTZWFGZKHWKFIY-UHFFFAOYSA-N -1 1 260.362 3.400 20 0 CGADMM C[C@@H]1CC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000350812625 335536098 /nfs/dbraw/zinc/53/60/98/335536098.db2.gz HIVDFFMUKMVDCU-RDDDGLTNSA-N -1 1 280.711 3.336 20 0 CGADMM CCC[C@@H](C)S(=O)(=O)[N-]c1cc(C)n([C@@H](C)CC)n1 ZINC000579237165 335725419 /nfs/dbraw/zinc/72/54/19/335725419.db2.gz WTYXQKFRVHMTLL-CMPLNLGQSA-N -1 1 287.429 3.093 20 0 CGADMM Cc1ccc(C)c(C(=O)CSc2ncc(C)c(=O)[n-]2)c1 ZINC000380619033 336007984 /nfs/dbraw/zinc/00/79/84/336007984.db2.gz IVABUCWCGSBIII-UHFFFAOYSA-N -1 1 288.372 3.082 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCC3(CCCC3)O2)n1 ZINC000581229310 336028091 /nfs/dbraw/zinc/02/80/91/336028091.db2.gz IMANQMWECHINED-LBPRGKRZSA-N -1 1 294.420 3.329 20 0 CGADMM C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381976474 336079207 /nfs/dbraw/zinc/07/92/07/336079207.db2.gz WDMFSDRTEWYGEP-ZJUUUORDSA-N -1 1 267.756 3.269 20 0 CGADMM Cc1cc(F)ccc1CN(C)C(=O)c1cc(F)ccc1[O-] ZINC000436742664 533874658 /nfs/dbraw/zinc/87/46/58/533874658.db2.gz YCUSDKDTJVJECT-UHFFFAOYSA-N -1 1 291.297 3.251 20 0 CGADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ns1 ZINC000436876165 533998939 /nfs/dbraw/zinc/99/89/39/533998939.db2.gz WYZRURQAUTXUGE-UHFFFAOYSA-N -1 1 277.280 3.013 20 0 CGADMM COC(=O)c1ccc(C(=O)[N-]c2ccccc2SC)o1 ZINC000153036642 534045701 /nfs/dbraw/zinc/04/57/01/534045701.db2.gz CTXTWRFLRYBZOD-UHFFFAOYSA-N -1 1 291.328 3.040 20 0 CGADMM Cc1nc(CNCc2ccc(C)cc2C)sc1C(=O)[O-] ZINC000426678463 534386883 /nfs/dbraw/zinc/38/68/83/534386883.db2.gz CIOHPXSKNVVKKG-UHFFFAOYSA-N -1 1 290.388 3.056 20 0 CGADMM O=C([O-])C[C@@H](NCc1cc(F)ccc1F)c1ccsc1 ZINC000426684383 534502725 /nfs/dbraw/zinc/50/27/25/534502725.db2.gz ZHKAHRYBWXPJLZ-CYBMUJFWSA-N -1 1 297.326 3.332 20 0 CGADMM CCOc1cc(C(=O)NC2(C)CCC2)cc(Cl)c1[O-] ZINC000186942440 520661034 /nfs/dbraw/zinc/66/10/34/520661034.db2.gz UVGWHCOBKJAXGQ-UHFFFAOYSA-N -1 1 283.755 3.117 20 0 CGADMM CC[C@@H](C)Oc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000111578889 522268018 /nfs/dbraw/zinc/26/80/18/522268018.db2.gz FKQSSCBMMIWEQJ-LLVKDONJSA-N -1 1 286.331 3.217 20 0 CGADMM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1ccc([O-])cc1 ZINC000163962346 523091455 /nfs/dbraw/zinc/09/14/55/523091455.db2.gz XAVXKPSKFPOGJE-HNNXBMFYSA-N -1 1 294.347 3.456 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C[C@H]2CCCC[C@H]21 ZINC000365777912 534695084 /nfs/dbraw/zinc/69/50/84/534695084.db2.gz GSMISOCUYSQSJW-BXKDBHETSA-N -1 1 299.292 3.426 20 0 CGADMM O=C(N[C@@H](C1CC1)C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000436843504 534719641 /nfs/dbraw/zinc/71/96/41/534719641.db2.gz HYWZMJJUZXRUMY-JTQLQIEISA-N -1 1 293.672 3.116 20 0 CGADMM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000412825659 526729388 /nfs/dbraw/zinc/72/93/88/526729388.db2.gz PQIPTEJLHXINCB-GXTWGEPZSA-N -1 1 279.355 3.476 20 0 CGADMM CO[C@H](C)c1nc(=NCC(C)(C)C2CCCC2)s[n-]1 ZINC000509550181 536497711 /nfs/dbraw/zinc/49/77/11/536497711.db2.gz WFNJLFLJVAJEQC-SNVBAGLBSA-N -1 1 283.441 3.296 20 0 CGADMM CC(C)(C)C1CC(NC(=O)c2c([O-])cccc2F)C1 ZINC000436896442 527627590 /nfs/dbraw/zinc/62/75/90/527627590.db2.gz YTWNELGRCSCIAV-UHFFFAOYSA-N -1 1 265.328 3.086 20 0 CGADMM CC1(C)C[C@H](NC(=O)c2ccc(Cl)cc2[O-])C(C)(C)O1 ZINC000436889308 527739087 /nfs/dbraw/zinc/73/90/87/527739087.db2.gz XJPLYODWTQOXQW-LBPRGKRZSA-N -1 1 297.782 3.122 20 0 CGADMM CC1(C2CC2)CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000436603211 527905245 /nfs/dbraw/zinc/90/52/45/527905245.db2.gz HERMFYRDZKIVCA-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM CC(C)c1cccc(C(=O)Nc2ccc(F)cc2[O-])n1 ZINC000436806308 528159717 /nfs/dbraw/zinc/15/97/17/528159717.db2.gz HBNWIBMSYKJAAM-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM COc1ccc(-c2nc(Cc3ccccc3C)no2)c([O-])c1 ZINC000315513827 536522971 /nfs/dbraw/zinc/52/29/71/536522971.db2.gz GJZYKZRVZUIYPZ-UHFFFAOYSA-N -1 1 296.326 3.350 20 0 CGADMM CCN(Cc1cccs1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000048970669 571907195 /nfs/dbraw/zinc/90/71/95/571907195.db2.gz PXXHBWIAQRFLHQ-CQSZACIVSA-N -1 1 275.373 3.396 20 0 CGADMM C[C@@H](c1ccc(Cl)cc1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737718838 572368152 /nfs/dbraw/zinc/36/81/52/572368152.db2.gz AMJBRKLDGSFCOT-NSHDSACASA-N -1 1 296.798 3.475 20 0 CGADMM CC[C@@H]([N-]C(=O)C(F)(F)F)C(C)(C)c1ccccc1 ZINC000741702987 572519554 /nfs/dbraw/zinc/51/95/54/572519554.db2.gz UQNVMQSPFSRVOJ-LLVKDONJSA-N -1 1 273.298 3.421 20 0 CGADMM CCCCN(CC)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736457112 572793522 /nfs/dbraw/zinc/79/35/22/572793522.db2.gz OVJZHGKTOHOVQR-UHFFFAOYSA-N -1 1 296.378 3.041 20 0 CGADMM CCCCN(CC)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736457112 572793523 /nfs/dbraw/zinc/79/35/23/572793523.db2.gz OVJZHGKTOHOVQR-UHFFFAOYSA-N -1 1 296.378 3.041 20 0 CGADMM CC[N@@H+](Cc1ccoc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736555015 572799194 /nfs/dbraw/zinc/79/91/94/572799194.db2.gz BDVGZRTZSNHHTN-LBPRGKRZSA-N -1 1 297.362 3.043 20 0 CGADMM CC(C)Cc1ccc(CC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000749399586 572999404 /nfs/dbraw/zinc/99/94/04/572999404.db2.gz LVIUBANUNPBTJC-QGZVFWFLSA-N -1 1 291.391 3.002 20 0 CGADMM O=C([O-])[C@@H](c1ccccc1F)N1CC[C@@H](c2ccco2)C1 ZINC000833173259 601008470 /nfs/dbraw/zinc/00/84/70/601008470.db2.gz PUJOVPNUKDRVKX-IAQYHMDHSA-N -1 1 289.306 3.034 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@H](C(F)(F)F)C2)s1 ZINC000088431475 601935534 /nfs/dbraw/zinc/93/55/34/601935534.db2.gz YECDWCFZDIWYOR-QMMMGPOBSA-N -1 1 293.310 3.221 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccccn2)s1 ZINC000833313507 601958703 /nfs/dbraw/zinc/95/87/03/601958703.db2.gz XOTBNBXJTFPIDD-ZDUSSCGKSA-N -1 1 288.372 3.178 20 0 CGADMM CN(Cc1cc(Cl)cn1C)Cc1ccc(C(=O)[O-])cc1 ZINC000830819343 601966471 /nfs/dbraw/zinc/96/64/71/601966471.db2.gz FEGZEPATSQCXAN-UHFFFAOYSA-N -1 1 292.766 3.009 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(Cl)cc3F)c(=O)c21 ZINC000899360359 620663543 /nfs/dbraw/zinc/66/35/43/620663543.db2.gz JQWDKQNPOCFWSN-KRTXAFLBSA-N -1 1 266.703 3.228 20 0 CGADMM CCc1c(=O)n(-c2ccc(F)c(F)c2)[n-]c1C(C)C ZINC000899361468 620668129 /nfs/dbraw/zinc/66/81/29/620668129.db2.gz ZRMPRTMWAGGLHR-SNVBAGLBSA-N -1 1 266.291 3.350 20 0 CGADMM Cc1cccc([C@H]2CCCN2Cc2ccoc2C(=O)[O-])n1 ZINC000832967576 604368249 /nfs/dbraw/zinc/36/82/49/604368249.db2.gz IMLNDTLHYPTGMI-CQSZACIVSA-N -1 1 286.331 3.018 20 0 CGADMM C[C@@H](c1ccccn1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000833548965 604564343 /nfs/dbraw/zinc/56/43/43/604564343.db2.gz IVHDFINEYUHGOH-JTQLQIEISA-N -1 1 276.361 3.034 20 0 CGADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(Cl)c(F)c1)CC2 ZINC000405377437 604648911 /nfs/dbraw/zinc/64/89/11/604648911.db2.gz VEELOLLJPMVWBS-LLVKDONJSA-N -1 1 297.757 3.166 20 0 CGADMM C[C@@H](c1ccncc1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000383991426 604719087 /nfs/dbraw/zinc/71/90/87/604719087.db2.gz UVWRNWMXXWQGBL-NSHDSACASA-N -1 1 288.322 3.112 20 0 CGADMM CC(C)(C(=O)[O-])[C@H](NCc1nccs1)c1ccccc1 ZINC000833416097 605181446 /nfs/dbraw/zinc/18/14/46/605181446.db2.gz WORWOQJRHFIKDY-CYBMUJFWSA-N -1 1 290.388 3.085 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1cnccc1C ZINC000833680518 605271756 /nfs/dbraw/zinc/27/17/56/605271756.db2.gz KPFFUZVHRYJRMF-LLVKDONJSA-N -1 1 288.347 3.094 20 0 CGADMM Cc1ncsc1CN(C)Cc1cccc(NC(=O)[O-])c1 ZINC000833916984 605595024 /nfs/dbraw/zinc/59/50/24/605595024.db2.gz DXQTWEMZAAYLAZ-UHFFFAOYSA-N -1 1 291.376 3.173 20 0 CGADMM CC(C)[C@@H](C)Sc1snc(Cl)c1-c1nnn[n-]1 ZINC000824193260 608186675 /nfs/dbraw/zinc/18/66/75/608186675.db2.gz VWFNGGAEXFGQPW-RXMQYKEDSA-N -1 1 289.817 3.113 20 0 CGADMM CC(C)[C@@H](C)Sc1snc(Cl)c1-c1nn[n-]n1 ZINC000824193260 608186678 /nfs/dbraw/zinc/18/66/78/608186678.db2.gz VWFNGGAEXFGQPW-RXMQYKEDSA-N -1 1 289.817 3.113 20 0 CGADMM CC(C)[C@@H](C)N(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900116619 620763342 /nfs/dbraw/zinc/76/33/42/620763342.db2.gz SNDZZKNALSOIET-SNVBAGLBSA-N -1 1 290.338 3.196 20 0 CGADMM COc1cc(/C(C#N)=C/c2ccc([O-])cc2)ccc1[N+](=O)[O-] ZINC000091540512 618686000 /nfs/dbraw/zinc/68/60/00/618686000.db2.gz IDLHSBHWBSUDRP-MDWZMJQESA-N -1 1 296.282 3.373 20 0 CGADMM Cc1oc(CN[C@H](C)c2ccccc2C)cc1C(=O)[O-] ZINC000235186139 618737281 /nfs/dbraw/zinc/73/72/81/618737281.db2.gz MZTLFYQWPUJXGQ-LLVKDONJSA-N -1 1 273.332 3.445 20 0 CGADMM O=C([N-]c1ncsc1C1CC1)c1ocnc1C(F)F ZINC000893264319 619052550 /nfs/dbraw/zinc/05/25/50/619052550.db2.gz ZGEFRZZETXHMJB-UHFFFAOYSA-N -1 1 285.275 3.198 20 0 CGADMM Cc1ccccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188347144 619084764 /nfs/dbraw/zinc/08/47/64/619084764.db2.gz YBPMKFRWTGJERH-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM CCOc1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000262017968 619524201 /nfs/dbraw/zinc/52/42/01/619524201.db2.gz XFTBUIWXEDEZTE-UHFFFAOYSA-N -1 1 299.370 3.416 20 0 CGADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)[N-]Oc1ccc(F)cc1 ZINC000898576354 620597280 /nfs/dbraw/zinc/59/72/80/620597280.db2.gz MPCZDJRMWCIVFY-TZMCWYRMSA-N -1 1 299.292 3.451 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1CCCC(F)(F)C1 ZINC000898575890 620597333 /nfs/dbraw/zinc/59/73/33/620597333.db2.gz ZXTLXDHFBCNRRL-VIFPVBQESA-N -1 1 273.254 3.061 20 0 CGADMM CCC(CC)(CC)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000901041289 620828141 /nfs/dbraw/zinc/82/81/41/620828141.db2.gz OGLQRFJPTIYBLT-UHFFFAOYSA-N -1 1 291.395 3.006 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCOC2(CCC2)C1 ZINC000901162146 620839386 /nfs/dbraw/zinc/83/93/86/620839386.db2.gz DVCUIIVFFUBNCJ-SNVBAGLBSA-N -1 1 295.766 3.333 20 0 CGADMM Cc1cnc(SC2C[C@H](C)C[C@@H](C)C2)[n-]c1=O ZINC000901570387 620942217 /nfs/dbraw/zinc/94/22/17/620942217.db2.gz LRERKFMSCFFEGS-RKDXNWHRSA-N -1 1 252.383 3.407 20 0 CGADMM CC[C@H](C)C[C@H](N[C@@H](C)c1cc2cnccc2o1)C(=O)[O-] ZINC000901675657 620965772 /nfs/dbraw/zinc/96/57/72/620965772.db2.gz NNPCMVRNQCDADR-GVXVVHGQSA-N -1 1 290.363 3.368 20 0 CGADMM CCCc1ccc(CNCc2ccc(C(=O)[O-])o2)s1 ZINC000901652960 620967157 /nfs/dbraw/zinc/96/71/57/620967157.db2.gz FYNYGZZFTQHHOC-UHFFFAOYSA-N -1 1 279.361 3.282 20 0 CGADMM O=C([O-])CCCN(Cc1cncs1)Cc1ccccc1 ZINC000901799929 621032013 /nfs/dbraw/zinc/03/20/13/621032013.db2.gz GFENKLYVVQJYNJ-UHFFFAOYSA-N -1 1 290.388 3.010 20 0 CGADMM O=C([O-])[C@H](C[C@H]1CCCc2ccccc21)NCc1ccco1 ZINC000901848375 621050854 /nfs/dbraw/zinc/05/08/54/621050854.db2.gz QVOQYZPBMVQOKS-PBHICJAKSA-N -1 1 299.370 3.333 20 0 CGADMM C[C@@H](CN(Cc1ncc(C(C)(C)C)s1)C1CC1)C(=O)[O-] ZINC000901994650 621089905 /nfs/dbraw/zinc/08/99/05/621089905.db2.gz UBTGFJIZAMBDEQ-JTQLQIEISA-N -1 1 296.436 3.126 20 0 CGADMM Cc1c(Cl)cccc1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000901983049 621093474 /nfs/dbraw/zinc/09/34/74/621093474.db2.gz NMHKJESAPRDRKW-LBPRGKRZSA-N -1 1 299.823 3.041 20 0 CGADMM CCC[C@@H](NCc1cc(C(=O)[O-])no1)c1ccccc1 ZINC000902071729 621125672 /nfs/dbraw/zinc/12/56/72/621125672.db2.gz GTNXDIOLYHVZET-CYBMUJFWSA-N -1 1 274.320 3.004 20 0 CGADMM CC(C)(NCc1ccc(/C=C/C(=O)[O-])o1)c1cccs1 ZINC000902257694 621211928 /nfs/dbraw/zinc/21/19/28/621211928.db2.gz BRFGJBBIPJEBBR-BQYQJAHWSA-N -1 1 291.372 3.464 20 0 CGADMM O=C([O-])c1occc1CNC1(c2cccc(F)c2)CCC1 ZINC000902374037 621278678 /nfs/dbraw/zinc/27/86/78/621278678.db2.gz WUUDADTUXXAJHD-UHFFFAOYSA-N -1 1 289.306 3.286 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@@H]1c1ccccc1 ZINC000902511877 621350885 /nfs/dbraw/zinc/35/08/85/621350885.db2.gz DRFFKGPQWJEYGI-CQSZACIVSA-N -1 1 271.316 3.233 20 0 CGADMM O=C([O-])c1ccc(CNC2(c3ccccc3F)CC2)s1 ZINC000903678667 621787276 /nfs/dbraw/zinc/78/72/76/621787276.db2.gz PWKTVXMXYOIDRX-UHFFFAOYSA-N -1 1 291.347 3.364 20 0 CGADMM CCN(Cc1ccoc1)[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000903889016 621823421 /nfs/dbraw/zinc/82/34/21/621823421.db2.gz CHXULSBSNIXHAB-INIZCTEOSA-N -1 1 287.359 3.188 20 0 CGADMM Cc1ccc(CN(C)[C@H](CCc2ccccc2)C(=O)[O-])o1 ZINC000903886131 621827017 /nfs/dbraw/zinc/82/70/17/621827017.db2.gz XRPBOWPWHBNEPC-MRXNPFEDSA-N -1 1 287.359 3.106 20 0 CGADMM Cc1ccoc1CN[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000904044504 621859045 /nfs/dbraw/zinc/85/90/45/621859045.db2.gz BMHHIDDNFNGUEZ-CQSZACIVSA-N -1 1 273.332 3.202 20 0 CGADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)nc1 ZINC000904045958 621859230 /nfs/dbraw/zinc/85/92/30/621859230.db2.gz SHDQQEKKSDIWEY-INIZCTEOSA-N -1 1 284.359 3.004 20 0 CGADMM C/C(=C(\F)C(=O)Nc1cc([O-])c(F)cc1F)C1CC1 ZINC000909973385 622439694 /nfs/dbraw/zinc/43/96/94/622439694.db2.gz YIPBZPDTAFHJCY-WUXMJOGZSA-N -1 1 271.238 3.262 20 0 CGADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987164 622443834 /nfs/dbraw/zinc/44/38/34/622443834.db2.gz KHAQWZOPBSAVQD-BDAKNGLRSA-N -1 1 269.291 3.435 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1C[C@H]1C1CCC1 ZINC000909988450 622446249 /nfs/dbraw/zinc/44/62/49/622446249.db2.gz KWXOJOOZZLTPJQ-DTWKUNHWSA-N -1 1 267.275 3.045 20 0 CGADMM CCc1csc([C@H](C)NC(=O)c2ccc([O-])c(F)c2)n1 ZINC000910735410 622501545 /nfs/dbraw/zinc/50/15/45/622501545.db2.gz JVJKYWXIRUSHDY-QMMMGPOBSA-N -1 1 294.351 3.041 20 0 CGADMM C[C@H]1CC[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910982936 622512918 /nfs/dbraw/zinc/51/29/18/622512918.db2.gz MODXWLBJLVZYJI-YUMQZZPRSA-N -1 1 255.264 3.045 20 0 CGADMM CCC1=C(C(=O)Nc2cc(F)cc(F)c2[O-])CCCO1 ZINC000910995653 622514400 /nfs/dbraw/zinc/51/44/00/622514400.db2.gz ZBGPPIJAIPWPTF-UHFFFAOYSA-N -1 1 283.274 3.083 20 0 CGADMM C[C@@H](CC(=O)Nc1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000910994242 622514428 /nfs/dbraw/zinc/51/44/28/622514428.db2.gz UQMPLRNSEUIBIT-YFKPBYRVSA-N -1 1 283.196 3.197 20 0 CGADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1c([O-])cccc1Cl ZINC000769932836 625580740 /nfs/dbraw/zinc/58/07/40/625580740.db2.gz ZPYBTFCMOHATMW-ZJUUUORDSA-N -1 1 267.756 3.306 20 0 CGADMM CCCCOC(=O)c1ccc(Br)c([O-])c1 ZINC000228314626 623051627 /nfs/dbraw/zinc/05/16/27/623051627.db2.gz FLGFDXHLVMXFAX-UHFFFAOYSA-N -1 1 273.126 3.112 20 0 CGADMM CCCCCC[C@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000173200982 623312170 /nfs/dbraw/zinc/31/21/70/623312170.db2.gz QTZZZKNINHHFDO-QMMMGPOBSA-N -1 1 292.305 3.369 20 0 CGADMM CCc1cc(=O)[n-]c(SCCOC2CCCCC2)n1 ZINC000917512401 624278227 /nfs/dbraw/zinc/27/82/27/624278227.db2.gz FSPOCMAQJGVWRI-UHFFFAOYSA-N -1 1 282.409 3.186 20 0 CGADMM CCc1nc(SC[C@@H]2CC[C@H](C3CC3)O2)[n-]c(=O)c1C ZINC000917842934 624315251 /nfs/dbraw/zinc/31/52/51/624315251.db2.gz LUBWLNVPOCOIFT-WCQYABFASA-N -1 1 294.420 3.103 20 0 CGADMM CCc1nc(SCc2cnc(C3CC3)o2)[n-]c(=O)c1C ZINC000917843946 624315284 /nfs/dbraw/zinc/31/52/84/624315284.db2.gz VLTCLRBYUQKNNN-UHFFFAOYSA-N -1 1 291.376 3.211 20 0 CGADMM CN(C)c1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000070333881 625000956 /nfs/dbraw/zinc/00/09/56/625000956.db2.gz CVHFPLYMQNFDPJ-UHFFFAOYSA-N -1 1 290.750 3.364 20 0 CGADMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000788158383 626358241 /nfs/dbraw/zinc/35/82/41/626358241.db2.gz GWUQRIHTAUHQBT-SECBINFHSA-N -1 1 276.723 3.183 20 0 CGADMM Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)sn1 ZINC000752890111 626441672 /nfs/dbraw/zinc/44/16/72/626441672.db2.gz ZKDIXRBSFZVKSZ-UHFFFAOYSA-N -1 1 283.740 3.455 20 0 CGADMM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2)c(C)o1 ZINC000756332431 626692649 /nfs/dbraw/zinc/69/26/49/626692649.db2.gz IFBPFFSKCDWQMT-AWEZNQCLSA-N -1 1 293.750 3.465 20 0 CGADMM CC(=O)CCCCCCC(=O)Nc1c([O-])cccc1F ZINC000764279999 627202773 /nfs/dbraw/zinc/20/27/73/627202773.db2.gz ULKGXKKIXUEJMR-UHFFFAOYSA-N -1 1 281.327 3.399 20 0 CGADMM CC(C)(O)CCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000765472803 627251692 /nfs/dbraw/zinc/25/16/92/627251692.db2.gz FFGLYJIETABQQH-UHFFFAOYSA-N -1 1 293.146 3.017 20 0 CGADMM C[C@H](CC(=O)[N-]OCC(F)(F)F)C1CCCCC1 ZINC000766769791 627359496 /nfs/dbraw/zinc/35/94/96/627359496.db2.gz YUFXPPRTTUKGOS-SECBINFHSA-N -1 1 267.291 3.203 20 0 CGADMM CCCCC[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000767299523 627397739 /nfs/dbraw/zinc/39/77/39/627397739.db2.gz JQYVZQGBWWYOJF-JTQLQIEISA-N -1 1 253.317 3.230 20 0 CGADMM CC(C)c1cccnc1NC(=O)c1ccc([O-])c(F)c1 ZINC000768317474 627473615 /nfs/dbraw/zinc/47/36/15/627473615.db2.gz BOAPCKILUBEJSY-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM CN(C(=O)c1c([O-])cccc1Cl)C1CCCC1 ZINC000769652331 627571291 /nfs/dbraw/zinc/57/12/91/627571291.db2.gz HTESULIGULBSJC-UHFFFAOYSA-N -1 1 253.729 3.060 20 0 CGADMM CC(C)N(CC1CC1)C(=O)c1c([O-])cccc1Cl ZINC000769685371 627572631 /nfs/dbraw/zinc/57/26/31/627572631.db2.gz FQUHYEQXSWGAGN-UHFFFAOYSA-N -1 1 267.756 3.306 20 0 CGADMM CCC[C@@H](C)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769693808 627573461 /nfs/dbraw/zinc/57/34/61/627573461.db2.gz RYRMXYHIFUXDLZ-SECBINFHSA-N -1 1 255.745 3.306 20 0 CGADMM O=C(OC/C(Cl)=C/Cl)c1ccc([O-])cc1F ZINC000773567464 627897488 /nfs/dbraw/zinc/89/74/88/627897488.db2.gz VJIBHDNRUKSGID-XQRVVYSFSA-N -1 1 265.067 3.007 20 0 CGADMM C[C@@H](COc1ccccc1)C(=O)[N-]OC1CCCCC1 ZINC000777962873 628315862 /nfs/dbraw/zinc/31/58/62/628315862.db2.gz QZDROJIWBQDNFP-ZDUSSCGKSA-N -1 1 277.364 3.082 20 0 CGADMM CC[C@H](C)[C@@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000780244839 628469231 /nfs/dbraw/zinc/46/92/31/628469231.db2.gz XAHAHNIGWZHSMH-NWDGAFQWSA-N -1 1 292.375 3.363 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc2[nH]ncc21 ZINC000780991545 628528790 /nfs/dbraw/zinc/52/87/90/628528790.db2.gz BNCHKJWIFKCWDF-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM Cc1cccc([C@H](C)C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000790047605 629179576 /nfs/dbraw/zinc/17/95/76/629179576.db2.gz LZTNBFZYCNPOTH-JTQLQIEISA-N -1 1 290.750 3.491 20 0 CGADMM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1ccc(C)cn1 ZINC000864529774 629856368 /nfs/dbraw/zinc/85/63/68/629856368.db2.gz ZHFUOKIWOODADH-QGZVFWFLSA-N -1 1 298.386 3.258 20 0 CGADMM CN(C(=O)C(=O)c1ccc([O-])cc1)C1CCCCCCC1 ZINC000798287043 630043641 /nfs/dbraw/zinc/04/36/41/630043641.db2.gz SQMBEBFYQZVVHL-UHFFFAOYSA-N -1 1 289.375 3.146 20 0 CGADMM Cc1nc(SCC(F)(F)C(F)F)[n-]c(=O)c1C1CC1 ZINC000865373306 630081340 /nfs/dbraw/zinc/08/13/40/630081340.db2.gz OKWKMNABYIAIRZ-UHFFFAOYSA-N -1 1 296.289 3.361 20 0 CGADMM COc1ccccc1CO[N-]C(=O)[C@H](C)c1ccccc1 ZINC000799092294 630141294 /nfs/dbraw/zinc/14/12/94/630141294.db2.gz JPGXKCPRZBILPC-CYBMUJFWSA-N -1 1 285.343 3.047 20 0 CGADMM CC[C@@H](C)CCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000803172392 630450623 /nfs/dbraw/zinc/45/06/23/630450623.db2.gz NXJHZEDSJCCCSU-MRVPVSSYSA-N -1 1 256.733 3.205 20 0 CGADMM CCOc1cc(C(=O)N2CCC[C@H]3C[C@H]32)cc(Cl)c1[O-] ZINC000804298734 630517503 /nfs/dbraw/zinc/51/75/03/630517503.db2.gz VOUPVJGFGXLVNY-JOYOIKCWSA-N -1 1 295.766 3.069 20 0 CGADMM C[C@@H](C(=O)[N-]OC1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000812795070 631313660 /nfs/dbraw/zinc/31/36/60/631313660.db2.gz WNHHBQWDGOOLMY-SECBINFHSA-N -1 1 287.281 3.409 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000816740825 632048506 /nfs/dbraw/zinc/04/85/06/632048506.db2.gz OVLBHDQRQOBQHJ-UHFFFAOYSA-N -1 1 293.326 3.343 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@H]1CCCc2ccccc21 ZINC000816980466 632068111 /nfs/dbraw/zinc/06/81/11/632068111.db2.gz LQLHAYXWYKSQHG-WFASDCNBSA-N -1 1 261.365 3.200 20 0 CGADMM CCC(C)(C)c1ccccc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000820407238 632619749 /nfs/dbraw/zinc/61/97/49/632619749.db2.gz GNDCJZDNFXPVNM-UHFFFAOYSA-N -1 1 287.363 3.364 20 0 CGADMM CC(F)(F)C(=O)[N-]Cc1cc(Cl)cc(Cl)c1F ZINC000866148967 633013155 /nfs/dbraw/zinc/01/31/55/633013155.db2.gz BZKHKMDVEDDAMT-UHFFFAOYSA-N -1 1 286.080 3.404 20 0 CGADMM CCO[C@H](C(=O)Nc1cccc(F)c1[O-])C1CCCC1 ZINC000869448849 633446245 /nfs/dbraw/zinc/44/62/45/633446245.db2.gz LAHKPLDJUYDISJ-AWEZNQCLSA-N -1 1 281.327 3.065 20 0 CGADMM O=C(C[C@@H]1CCCC1(F)F)Nc1cccc(F)c1[O-] ZINC000827448165 633491866 /nfs/dbraw/zinc/49/18/66/633491866.db2.gz PIVMLAVPBGXLPP-QMMMGPOBSA-N -1 1 273.254 3.295 20 0 CGADMM O=C(C[C@H]1CC=CCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000827599182 633501961 /nfs/dbraw/zinc/50/19/61/633501961.db2.gz VYPNPLFEWDSKCU-ZDUSSCGKSA-N -1 1 297.358 3.263 20 0 CGADMM CCc1nc(SC[C@@H]2C[C@@H]3CCC[C@H]3O2)[n-]c(=O)c1C ZINC000871676509 633820676 /nfs/dbraw/zinc/82/06/76/633820676.db2.gz YDIGQJRRVLHJFK-GMXVVIOVSA-N -1 1 294.420 3.103 20 0 CGADMM CCCCCC[C@H](C)n1[n-]c(-c2ccc[nH]2)cc1=O ZINC000871959667 633928541 /nfs/dbraw/zinc/92/85/41/633928541.db2.gz OITZAQUSYWPHLI-LBPRGKRZSA-N -1 1 261.369 3.310 20 0 CGADMM O=c1c2c([n-]n1C[C@@H]1CCCC1(F)F)CCCCC2 ZINC000871962465 633928884 /nfs/dbraw/zinc/92/88/84/633928884.db2.gz CEDGEMJOXILGNR-QWRGUYRKSA-N -1 1 270.323 3.200 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCC1CC=CC1 ZINC000831419861 633956696 /nfs/dbraw/zinc/95/66/96/633956696.db2.gz BWENNYMIRZBFSD-UHFFFAOYSA-N -1 1 279.767 3.061 20 0 CGADMM C[C@@H]1C[C@@H](NC(=O)c2c([O-])cccc2Cl)CCS1 ZINC000834660048 634210974 /nfs/dbraw/zinc/21/09/74/634210974.db2.gz IFJLPVMTRFJWRG-BDAKNGLRSA-N -1 1 285.796 3.060 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@]12C[C@@H]1CCCC2 ZINC000834819282 634247124 /nfs/dbraw/zinc/24/71/24/634247124.db2.gz WGZNJVLRGYQLFH-NHYWBVRUSA-N -1 1 279.767 3.242 20 0 CGADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834818908 634247278 /nfs/dbraw/zinc/24/72/78/634247278.db2.gz QRCCQJBRPFDYGB-GHMZBOCLSA-N -1 1 281.783 3.344 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1ccoc1C1CC1 ZINC000834826496 634249549 /nfs/dbraw/zinc/24/95/49/634249549.db2.gz RKFUZEVLUBLAQY-UHFFFAOYSA-N -1 1 291.734 3.446 20 0 CGADMM CCC[C@H](C)CC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834829221 634250572 /nfs/dbraw/zinc/25/05/72/634250572.db2.gz OYLAVLFOZBZBEW-JTQLQIEISA-N -1 1 269.772 3.488 20 0 CGADMM CC(C)(C)/C=C\C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834828993 634250738 /nfs/dbraw/zinc/25/07/38/634250738.db2.gz HBUDGJSKLQECNA-SREVYHEPSA-N -1 1 267.756 3.264 20 0 CGADMM CC(F)(F)CCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833617 634252676 /nfs/dbraw/zinc/25/26/76/634252676.db2.gz FZKOYZDTFNPYHE-UHFFFAOYSA-N -1 1 277.698 3.097 20 0 CGADMM CCc1cc(=O)[n-]c(SCC[C@H]2CC2(Cl)Cl)n1 ZINC000842568897 635403972 /nfs/dbraw/zinc/40/39/72/635403972.db2.gz FAHOLDIDHHVDGJ-ZETCQYMHSA-N -1 1 293.219 3.421 20 0 CGADMM O=C(NCC[C@@H]1CCCC1(F)F)c1ccc([O-])cc1F ZINC000881583851 636151606 /nfs/dbraw/zinc/15/16/06/636151606.db2.gz NVNREOPQCHGEKK-VIFPVBQESA-N -1 1 287.281 3.087 20 0 CGADMM COC[C@@H]([N-]c1nnc(C(C)(C)C)o1)c1ccc(C)o1 ZINC000882048773 636242555 /nfs/dbraw/zinc/24/25/55/636242555.db2.gz SXXSTIKJZZUKNZ-SNVBAGLBSA-N -1 1 279.340 3.068 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@H]1CCCc2ccc(OC)cc21 ZINC000848121156 636532808 /nfs/dbraw/zinc/53/28/08/636532808.db2.gz VGQFKBVNKPWJHQ-WFASDCNBSA-N -1 1 291.391 3.209 20 0 CGADMM CCc1cccc2cc(CN[C@H](CC3CC3)C(=O)[O-])oc21 ZINC000849231006 636773871 /nfs/dbraw/zinc/77/38/71/636773871.db2.gz QNCKOSLBFMSNEB-OAHLLOKOSA-N -1 1 287.359 3.338 20 0 CGADMM CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1ncccc1[O-] ZINC000885234548 637190557 /nfs/dbraw/zinc/19/05/57/637190557.db2.gz MVVSDANYFXHAAA-AWEZNQCLSA-N -1 1 296.370 3.196 20 0 CGADMM CC1(C)C[C@@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676742 637284010 /nfs/dbraw/zinc/28/40/10/637284010.db2.gz UALYWVZLKKATIF-ZCFIWIBFSA-N -1 1 257.692 3.169 20 0 CGADMM CC(C)(C)C1=N/C(=C/c2ccc([O-])c(F)c2F)C(=O)O1 ZINC000887268214 637785661 /nfs/dbraw/zinc/78/56/61/637785661.db2.gz FSCJWTLAOSNSOP-SOFGYWHQSA-N -1 1 281.258 3.013 20 0 CGADMM COCc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111666656 637942551 /nfs/dbraw/zinc/94/25/51/637942551.db2.gz FKKJFCMGJWNFHR-UHFFFAOYSA-N -1 1 291.734 3.444 20 0 CGADMM O=C(NOCC1CCC1)c1cc2ccccc2cc1[O-] ZINC000856346091 638347091 /nfs/dbraw/zinc/34/70/91/638347091.db2.gz OQEYIRGLIDLSNK-UHFFFAOYSA-N -1 1 271.316 3.007 20 0 CGADMM COc1cc(C(=O)NC2(C3CC3)CCC2)cc(Cl)c1[O-] ZINC000925714905 638577832 /nfs/dbraw/zinc/57/78/32/638577832.db2.gz YYLWDCQMYQKDKJ-UHFFFAOYSA-N -1 1 295.766 3.117 20 0 CGADMM C[C@H](CCC(C)(C)C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858416561 638709092 /nfs/dbraw/zinc/70/90/92/638709092.db2.gz VPOMOAAEGGHLAC-MRVPVSSYSA-N -1 1 257.765 3.462 20 0 CGADMM O=c1nc(N2CCSC3(CCCCC3)C2)cc(Cl)[n-]1 ZINC000858439799 638720076 /nfs/dbraw/zinc/72/00/76/638720076.db2.gz SIAUQGIPRRPFCM-UHFFFAOYSA-N -1 1 299.827 3.092 20 0 CGADMM O=C1[N-]C(=S)SC1=Cc1ccc(Cl)nc1 ZINC000034367708 638759135 /nfs/dbraw/zinc/75/91/35/638759135.db2.gz AVTRLSQFCHJDBP-UTCJRWHESA-N -1 1 256.739 3.064 20 0 CGADMM CSC1CCC(CNC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000927385926 638856106 /nfs/dbraw/zinc/85/61/06/638856106.db2.gz UYXQMQCMJKCUOU-UHFFFAOYSA-N -1 1 297.395 3.183 20 0 CGADMM O=c1nc(NC[C@@H]2CCC[C@H]2C2CC2)cc(Cl)[n-]1 ZINC000858567730 638995272 /nfs/dbraw/zinc/99/52/72/638995272.db2.gz IZXFJVGSKNHUJY-UWVGGRQHSA-N -1 1 267.760 3.074 20 0 CGADMM C[C@H](Nc1cc(Cl)[n-]c(=O)n1)[C@H]1CC2CCC1CC2 ZINC000858609120 639003074 /nfs/dbraw/zinc/00/30/74/639003074.db2.gz OSTCMCVKVLDOGS-IDWGSYCQSA-N -1 1 281.787 3.462 20 0 CGADMM C[C@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCC(F)CC1 ZINC000858631414 639005051 /nfs/dbraw/zinc/00/50/51/639005051.db2.gz DJRRWVYTBXQKBI-UEJVZZJDSA-N -1 1 273.739 3.164 20 0 CGADMM O=C(NC1CCCCC1)c1c([O-])cccc1Cl ZINC000049082072 640081697 /nfs/dbraw/zinc/08/16/97/640081697.db2.gz LJCWLQZKFDIHCB-UHFFFAOYSA-N -1 1 253.729 3.108 20 0 CGADMM Cc1ccsc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188356974 640131574 /nfs/dbraw/zinc/13/15/74/640131574.db2.gz VDHXBXMSZQHKNL-UHFFFAOYSA-N -1 1 268.725 3.063 20 0 CGADMM [O-]c1ccc(Cl)c(F)c1CNc1nc(C2CC2)no1 ZINC000191543997 640318276 /nfs/dbraw/zinc/31/82/76/640318276.db2.gz FTALCMCQPRJUTQ-UHFFFAOYSA-N -1 1 283.690 3.057 20 0 CGADMM CCCCC[C@H](C)CC(=O)NCc1n[n-]c(=S)n1CC ZINC000080033409 640444810 /nfs/dbraw/zinc/44/48/10/640444810.db2.gz FFLBDBPDPNYTSR-NSHDSACASA-N -1 1 298.456 3.183 20 0 CGADMM Cc1ccc2nc(-c3ccc(C)nc3Cl)[n-]c(=O)c2c1 ZINC000193545472 640470889 /nfs/dbraw/zinc/47/08/89/640470889.db2.gz FIJXDFDOZXXEEV-UHFFFAOYSA-N -1 1 285.734 3.255 20 0 CGADMM O=C(Nc1ccc(N2CCCCC2)cc1)c1cncc([O-])c1 ZINC000082335155 640574262 /nfs/dbraw/zinc/57/42/62/640574262.db2.gz DDOFBMDLXVVIGT-UHFFFAOYSA-N -1 1 297.358 3.030 20 0 CGADMM CC(C)(C)OC(=O)CCc1ccc(Cl)c([O-])c1 ZINC001250330341 805576110 /nfs/dbraw/zinc/57/61/10/805576110.db2.gz NBVGEODAADTKGR-UHFFFAOYSA-N -1 1 256.729 3.320 20 0 CGADMM [O-]c1cccc(F)c1-c1nc2cc3c(cc2[nH]1)CCO3 ZINC001250673734 805753228 /nfs/dbraw/zinc/75/32/28/805753228.db2.gz DPZRCDXDLWWFRH-UHFFFAOYSA-N -1 1 270.263 3.010 20 0 CGADMM Cc1[nH]c(-c2nc3cc(C)cc(C)c3[nH]2)c(C)c1C(=O)[O-] ZINC001250877216 805790875 /nfs/dbraw/zinc/79/08/75/805790875.db2.gz SKVBVBPUVHQPMS-UHFFFAOYSA-N -1 1 283.331 3.490 20 0 CGADMM CN(C)c1ccc2[nH]c(-c3ccc([O-])c(F)c3F)nc2c1 ZINC001250912397 805796901 /nfs/dbraw/zinc/79/69/01/805796901.db2.gz FDKQPSHUQZWTOU-UHFFFAOYSA-N -1 1 289.285 3.280 20 0 CGADMM COc1ccc2nc(-c3cc(F)c(F)cc3[O-])n(C)c2c1 ZINC001250967113 805810494 /nfs/dbraw/zinc/81/04/94/805810494.db2.gz JHZGODWIXHLTEL-UHFFFAOYSA-N -1 1 290.269 3.233 20 0 CGADMM [O-]c1cnc(Cl)cc1-c1nc2c(cc(F)cc2F)[nH]1 ZINC001251251443 805871883 /nfs/dbraw/zinc/87/18/83/805871883.db2.gz FSFQYVSQORAQOZ-UHFFFAOYSA-N -1 1 281.649 3.262 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1C[C@H]1c1ccsc1 ZINC001157811571 805875747 /nfs/dbraw/zinc/87/57/47/805875747.db2.gz ICACDZBZGWSBIP-DTWKUNHWSA-N -1 1 295.310 3.474 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1ccc(CF)cc1 ZINC001157811604 805875796 /nfs/dbraw/zinc/87/57/96/805875796.db2.gz JWHCBSGQCXWBRC-UHFFFAOYSA-N -1 1 281.233 3.392 20 0 CGADMM COCOc1ccc2[n-]c(C3OC=CC3=S)nc2c1 ZINC001251551304 805906761 /nfs/dbraw/zinc/90/67/61/805906761.db2.gz LBLBNPMXFGAIGO-UHFFFAOYSA-N -1 1 276.317 3.094 20 0 CGADMM COCOc1ccc2nc(C3OC=CC3=S)[n-]c2c1 ZINC001251551304 805906769 /nfs/dbraw/zinc/90/67/69/805906769.db2.gz LBLBNPMXFGAIGO-UHFFFAOYSA-N -1 1 276.317 3.094 20 0 CGADMM Cc1cccc([N-]S(C)(=O)=O)c1Oc1ccccc1 ZINC001252707031 806104543 /nfs/dbraw/zinc/10/45/43/806104543.db2.gz HWSQGCZEEFBRLO-UHFFFAOYSA-N -1 1 277.345 3.159 20 0 CGADMM O=C(NC1CCCC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC001160357041 806259631 /nfs/dbraw/zinc/25/96/31/806259631.db2.gz BMWZQJQBHOUMAN-UHFFFAOYSA-N -1 1 290.750 3.266 20 0 CGADMM Cc1cccc(-c2cccc(C(=O)Nc3c[n-][nH]c3=O)c2)c1 ZINC001161391132 806372837 /nfs/dbraw/zinc/37/28/37/806372837.db2.gz CZYVWEMVRBGIFG-UHFFFAOYSA-N -1 1 293.326 3.343 20 0 CGADMM [O-]c1cnccc1-c1nnc(Cc2ccc(Cl)cc2)o1 ZINC001254288448 806378074 /nfs/dbraw/zinc/37/80/74/806378074.db2.gz MHNURHKFLAHFSF-UHFFFAOYSA-N -1 1 287.706 3.081 20 0 CGADMM CCc1nnc(-c2cc(C(F)(F)F)ccc2[O-])o1 ZINC001255138113 806552169 /nfs/dbraw/zinc/55/21/69/806552169.db2.gz KIKYOCANYSRSLA-UHFFFAOYSA-N -1 1 258.199 3.023 20 0 CGADMM C[C@@H]1CCCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000070410732 798915480 /nfs/dbraw/zinc/91/54/80/798915480.db2.gz BPUNKNYKXZRCPB-SNVBAGLBSA-N -1 1 267.756 3.450 20 0 CGADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000128627957 799019368 /nfs/dbraw/zinc/01/93/68/799019368.db2.gz GSACRBWLCHRCRY-ZWNOBZJWSA-N -1 1 265.328 3.230 20 0 CGADMM [O-]c1c(F)cccc1NC(=S)Nc1ccccc1 ZINC000168955110 799086667 /nfs/dbraw/zinc/08/66/67/799086667.db2.gz QILJEBFVTKJJIS-UHFFFAOYSA-N -1 1 262.309 3.340 20 0 CGADMM COc1ccc([C@H](C)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000234970615 799144448 /nfs/dbraw/zinc/14/44/48/799144448.db2.gz CROABAPHRHDROI-NSHDSACASA-N -1 1 289.331 3.146 20 0 CGADMM C[C@@H](CN(C)Cc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000263468673 799179734 /nfs/dbraw/zinc/17/97/34/799179734.db2.gz DCMVIVXGNUQQFR-ZETCQYMHSA-N -1 1 294.153 3.285 20 0 CGADMM O=C(Cc1ccc(Cl)cn1)Nc1ccc([O-])c(Cl)c1 ZINC000339959612 799284010 /nfs/dbraw/zinc/28/40/10/799284010.db2.gz QNSRYLBMYGBENM-UHFFFAOYSA-N -1 1 297.141 3.275 20 0 CGADMM CO[C@@H]1CC[C@H](C)N(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000687195995 799737077 /nfs/dbraw/zinc/73/70/77/799737077.db2.gz FJNHDOSYTHTYJB-CMPLNLGQSA-N -1 1 297.782 3.038 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cccc2cc[nH]c21 ZINC000707894707 799980918 /nfs/dbraw/zinc/98/09/18/799980918.db2.gz VONKXDBGOMYHCL-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM O=C([O-])c1cccc(CN2CCC[C@@H](CF)C2)c1Cl ZINC000711447970 800059239 /nfs/dbraw/zinc/05/92/39/800059239.db2.gz WFLXWGQNSXNVOO-JTQLQIEISA-N -1 1 285.746 3.220 20 0 CGADMM COc1cc(-c2nnc([C@H]3C[C@@H]3C)o2)cc(Cl)c1[O-] ZINC001256765737 806973856 /nfs/dbraw/zinc/97/38/56/806973856.db2.gz ZHTBHRVHJOHXTB-XPUUQOCRSA-N -1 1 280.711 3.228 20 0 CGADMM CCCC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC001117637133 802473063 /nfs/dbraw/zinc/47/30/63/802473063.db2.gz VPUUSWHDYUXKGE-UHFFFAOYSA-N -1 1 283.318 3.323 20 0 CGADMM Cc1cccnc1[C@H](NC(=O)c1cncc([O-])c1)C(C)(C)C ZINC001119994296 802722033 /nfs/dbraw/zinc/72/20/33/802722033.db2.gz CVVPQDZNIBZYOB-HNNXBMFYSA-N -1 1 299.374 3.008 20 0 CGADMM Nc1ccc(Nc2ccc(F)c(Br)c2[O-])cn1 ZINC001201291646 811808887 /nfs/dbraw/zinc/80/88/87/811808887.db2.gz KWKNFGQUMSGRSX-UHFFFAOYSA-N -1 1 298.115 3.015 20 0 CGADMM COC(=O)c1ccc(C)c(-c2c([O-])cccc2Cl)n1 ZINC001244030940 803150951 /nfs/dbraw/zinc/15/09/51/803150951.db2.gz KWCXVZNBODCPMB-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM NC(=O)c1cc(-c2c([O-])cccc2Cl)nc2ccccc21 ZINC001244038575 803154961 /nfs/dbraw/zinc/15/49/61/803154961.db2.gz YIWLYYNLZZKGSS-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM O=C1CCN1c1cccc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244096430 803184071 /nfs/dbraw/zinc/18/40/71/803184071.db2.gz IYZBXCDBCRIQSE-UHFFFAOYSA-N -1 1 275.254 3.074 20 0 CGADMM Cc1nc2ccc(-c3cc(F)c([O-])c(F)c3)cc2c(=O)o1 ZINC001244098098 803186264 /nfs/dbraw/zinc/18/62/64/803186264.db2.gz YIQAHBXOLCOTJI-UHFFFAOYSA-N -1 1 289.237 3.147 20 0 CGADMM CCOc1ccc(-c2cc(F)c([O-])c(F)c2)c(C)n1 ZINC001244098083 803186433 /nfs/dbraw/zinc/18/64/33/803186433.db2.gz XAAQCYFRUKEDKK-UHFFFAOYSA-N -1 1 265.259 3.440 20 0 CGADMM CN1Cc2cccc(-c3cc(F)c([O-])c(F)c3)c2NC1=O ZINC001244098653 803186905 /nfs/dbraw/zinc/18/69/05/803186905.db2.gz OXUWYVIBRITJCQ-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM COc1cc(C(=O)[O-])cc(-c2cccc3nc(C)[nH]c32)c1 ZINC001244173807 803223970 /nfs/dbraw/zinc/22/39/70/803223970.db2.gz WQZPNHALHRLHRL-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM COc1nc(-c2cc(C)ccc2[O-])ncc1C(F)(F)F ZINC001244403230 803352216 /nfs/dbraw/zinc/35/22/16/803352216.db2.gz QNGXTGARURXHRI-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM Cc1ncc(-c2ccc(OC(F)(F)F)cc2[O-])nc1C ZINC001244464910 803383352 /nfs/dbraw/zinc/38/33/52/803383352.db2.gz XVUVJJPJXFHIKH-UHFFFAOYSA-N -1 1 284.237 3.365 20 0 CGADMM Cc1cc(-c2nccc3nc[nH]c32)cc(Cl)c1[O-] ZINC001244530626 803421799 /nfs/dbraw/zinc/42/17/99/803421799.db2.gz PQTHFLIFHMNCDA-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM Cc1cc(-c2ncnc3sncc32)cc(Cl)c1[O-] ZINC001244536690 803423649 /nfs/dbraw/zinc/42/36/49/803423649.db2.gz MYSFXLSSKFEHLA-UHFFFAOYSA-N -1 1 277.736 3.421 20 0 CGADMM Cc1cc(-c2c[nH]cc3ncnc2-3)cc(Cl)c1[O-] ZINC001244537092 803424205 /nfs/dbraw/zinc/42/42/05/803424205.db2.gz GSMDSZYJIXQMFM-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM Cc1nc2cccnc2c(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244538117 803425430 /nfs/dbraw/zinc/42/54/30/803425430.db2.gz INWQVRMPUOPFLP-UHFFFAOYSA-N -1 1 289.697 3.498 20 0 CGADMM CSc1cnc(-c2c(Cl)ccc([O-])c2F)nc1 ZINC001244539492 803426704 /nfs/dbraw/zinc/42/67/04/803426704.db2.gz YWIKUAODSGDCRL-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncnc3c2CCC3)c1F ZINC001244538819 803427295 /nfs/dbraw/zinc/42/72/95/803427295.db2.gz SMSKPANVXCYCFD-UHFFFAOYSA-N -1 1 264.687 3.130 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccc(OC(F)F)nn2)c1F ZINC001244539782 803427758 /nfs/dbraw/zinc/42/77/58/803427758.db2.gz HVIMJCNLMBMRSW-UHFFFAOYSA-N -1 1 290.628 3.243 20 0 CGADMM COC(=O)c1cc(C)c(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244540627 803427811 /nfs/dbraw/zinc/42/78/11/803427811.db2.gz DJRVFNQBHSNKNB-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CCOc1cc(-c2c(Cl)ccc([O-])c2F)ncn1 ZINC001244539997 803428472 /nfs/dbraw/zinc/42/84/72/803428472.db2.gz DIOSXNKPNRVBHS-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM Cn1cnc2cc(-c3c(Cl)ccc([O-])c3F)cnc21 ZINC001244540882 803428592 /nfs/dbraw/zinc/42/85/92/803428592.db2.gz HSQLQJZSIWCOFB-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM CCOC(=O)c1ncccc1-c1c(Cl)ccc([O-])c1F ZINC001244543004 803429139 /nfs/dbraw/zinc/42/91/39/803429139.db2.gz QYEWZWITZJUATK-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM O=C1NCc2ccc(-c3c(Cl)ccc([O-])c3F)cc21 ZINC001244541338 803429147 /nfs/dbraw/zinc/42/91/47/803429147.db2.gz OJIXKDLSGNNOBP-UHFFFAOYSA-N -1 1 277.682 3.095 20 0 CGADMM Cn1c(=O)oc2cc(-c3c(Cl)ccc([O-])c3F)ccc21 ZINC001244542382 803429810 /nfs/dbraw/zinc/42/98/10/803429810.db2.gz VVSNQXJGLGTILH-UHFFFAOYSA-N -1 1 293.681 3.297 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2ncc3ccccc3c2[O-])o1 ZINC001135425146 803596167 /nfs/dbraw/zinc/59/61/67/803596167.db2.gz YZPQRAAVMRCJIJ-UHFFFAOYSA-N -1 1 296.326 3.114 20 0 CGADMM CC(=O)Nc1cccc(-c2cc(Cl)ccc2[O-])n1 ZINC001245049368 803622439 /nfs/dbraw/zinc/62/24/39/803622439.db2.gz ODWAYNLUJNCZJL-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])cn1 ZINC001136181956 803634775 /nfs/dbraw/zinc/63/47/75/803634775.db2.gz DZEUZHQEOHKPDD-STQMWFEESA-N -1 1 276.380 3.122 20 0 CGADMM O=C(Nc1ncc(-c2ccccc2)s1)c1ccc([O-])cn1 ZINC001136302379 803638716 /nfs/dbraw/zinc/63/87/16/803638716.db2.gz GXJFIAIRIDVATE-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM CC(C)N(C(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC001136592340 803647255 /nfs/dbraw/zinc/64/72/55/803647255.db2.gz WJDDQCVDEUQEIG-UHFFFAOYSA-N -1 1 298.180 3.168 20 0 CGADMM CC(C)[C@@H]1CCCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001136787269 803652398 /nfs/dbraw/zinc/65/23/98/803652398.db2.gz BSGYFJNDWSLMIF-ZDUSSCGKSA-N -1 1 265.328 3.182 20 0 CGADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC001137192314 803695757 /nfs/dbraw/zinc/69/57/57/803695757.db2.gz ZWLNVOMLTNTFDN-GXFFZTMASA-N -1 1 279.355 3.476 20 0 CGADMM Oc1cccnc1C[N@@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001138396321 803912650 /nfs/dbraw/zinc/91/26/50/803912650.db2.gz QQDWKIFVOJKKTA-AWEZNQCLSA-N -1 1 290.313 3.403 20 0 CGADMM COC(=O)c1ccnc(-c2c(F)ccc([O-])c2Cl)c1C ZINC001245828644 803983074 /nfs/dbraw/zinc/98/30/74/803983074.db2.gz WXDLCHJEGVXPNY-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CCOc1cncc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245827349 803983532 /nfs/dbraw/zinc/98/35/32/803983532.db2.gz OPFLYPUDLIMKEV-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM O=C1CCc2cc(-c3c(F)ccc([O-])c3Cl)cnc2N1 ZINC001245830960 803984946 /nfs/dbraw/zinc/98/49/46/803984946.db2.gz BCLTVCZVDUNGQJ-UHFFFAOYSA-N -1 1 292.697 3.131 20 0 CGADMM CCN(CC)c1cncc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245830035 803984966 /nfs/dbraw/zinc/98/49/66/803984966.db2.gz GRKQVPAJIIBDQE-UHFFFAOYSA-N -1 1 295.745 3.488 20 0 CGADMM CN1Cc2cccc(-c3c(F)ccc([O-])c3Cl)c2C1=O ZINC001245831552 803987332 /nfs/dbraw/zinc/98/73/32/803987332.db2.gz AFLFBVDXQAEFNF-UHFFFAOYSA-N -1 1 291.709 3.437 20 0 CGADMM Cn1c(=O)oc2cc(-c3c(F)ccc([O-])c3Cl)ccc21 ZINC001245832107 803987344 /nfs/dbraw/zinc/98/73/44/803987344.db2.gz UZEDDEYVGSAFBS-UHFFFAOYSA-N -1 1 293.681 3.297 20 0 CGADMM CNC(=O)c1cccc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245832470 803988540 /nfs/dbraw/zinc/98/85/40/803988540.db2.gz YXKFDBXQUDPUEW-UHFFFAOYSA-N -1 1 279.698 3.211 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc(OCC3CC3)cn2)c1Cl ZINC001245835557 803988562 /nfs/dbraw/zinc/98/85/62/803988562.db2.gz SILFGEMOKVBREQ-UHFFFAOYSA-N -1 1 294.713 3.431 20 0 CGADMM CCn1cccc(-c2c(F)ccc([O-])c2Cl)c1=O ZINC001245832736 803988598 /nfs/dbraw/zinc/98/85/98/803988598.db2.gz UCBPMCIAECJFKB-UHFFFAOYSA-N -1 1 267.687 3.033 20 0 CGADMM CCc1cc(=O)n(C(=S)c2ccc(Cl)cc2)[n-]1 ZINC001245918485 804046650 /nfs/dbraw/zinc/04/66/50/804046650.db2.gz XUVABMXAHRKPMC-UHFFFAOYSA-N -1 1 266.753 3.028 20 0 CGADMM C[C@H]1CCC[C@@H]1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001138944114 804077948 /nfs/dbraw/zinc/07/79/48/804077948.db2.gz SVNPOYUMJHWREE-NWDGAFQWSA-N -1 1 284.359 3.106 20 0 CGADMM CC(C)(C)Nc1ccccc1NC(=O)c1ccc([O-])cn1 ZINC001139245591 804169779 /nfs/dbraw/zinc/16/97/79/804169779.db2.gz MTNSVEWSIYCEKG-UHFFFAOYSA-N -1 1 285.347 3.250 20 0 CGADMM CC1CC([N@H+](C)Cc2cccc(O)c2Br)C1 ZINC001140547954 804457810 /nfs/dbraw/zinc/45/78/10/804457810.db2.gz XTLSYDWNGWWAMT-UHFFFAOYSA-N -1 1 284.197 3.385 20 0 CGADMM [O-]c1ccc(CN2CCC[C@@H]2c2ccncc2)c(F)c1F ZINC001140894341 804544271 /nfs/dbraw/zinc/54/42/71/804544271.db2.gz VKYCKBPGXDGABH-CYBMUJFWSA-N -1 1 290.313 3.403 20 0 CGADMM COc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1F ZINC001141831277 804671545 /nfs/dbraw/zinc/67/15/45/804671545.db2.gz HYXQRCASLSTKRM-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM CCC1(c2ccccc2)CN(C(=O)c2cccc([O-])c2F)C1 ZINC001141976656 804683091 /nfs/dbraw/zinc/68/30/91/804683091.db2.gz NKMQIEDTBGQABT-UHFFFAOYSA-N -1 1 299.345 3.335 20 0 CGADMM Cc1cccc(-c2noc(-c3ncccc3[O-])n2)c1Cl ZINC001212480861 815034706 /nfs/dbraw/zinc/03/47/06/815034706.db2.gz NAROJUCXNBOPJG-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM Cc1ccsc1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001142504195 804726274 /nfs/dbraw/zinc/72/62/74/804726274.db2.gz SWMIPDSCKSSISJ-UHFFFAOYSA-N -1 1 295.791 3.274 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(CC(C)C)CC(C)C)c1 ZINC001144186220 804949694 /nfs/dbraw/zinc/94/96/94/804949694.db2.gz VVDRHACFYBLAOK-UHFFFAOYSA-N -1 1 291.391 3.267 20 0 CGADMM C[C@H]1CCN(Cc2c(F)cc([O-])cc2F)CC1(F)F ZINC001144542470 805000129 /nfs/dbraw/zinc/00/01/29/805000129.db2.gz ZABKAUJYBBRCBA-QMMMGPOBSA-N -1 1 277.261 3.148 20 0 CGADMM O=C1CCN(Cc2c(F)cc([O-])cc2F)[C@@H]2CCCC[C@H]12 ZINC001144541674 805002525 /nfs/dbraw/zinc/00/25/25/805002525.db2.gz JNSZZLYYAXQSKV-XHDPSFHLSA-N -1 1 295.329 3.004 20 0 CGADMM O=C([O-])c1ccsc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001144679907 805033501 /nfs/dbraw/zinc/03/35/01/805033501.db2.gz HJBLCCBIFUBGCK-UHFFFAOYSA-N -1 1 277.345 3.204 20 0 CGADMM O=C([O-])c1ccsc1CN(Cc1ccco1)C1CC1 ZINC001144679907 805033512 /nfs/dbraw/zinc/03/35/12/805033512.db2.gz HJBLCCBIFUBGCK-UHFFFAOYSA-N -1 1 277.345 3.204 20 0 CGADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC001144746025 805050070 /nfs/dbraw/zinc/05/00/70/805050070.db2.gz SABGTBIGTMYLRO-DGCLKSJQSA-N -1 1 279.355 3.476 20 0 CGADMM C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001144815898 805057471 /nfs/dbraw/zinc/05/74/71/805057471.db2.gz UOIGYKLTHLLYKO-KWQFWETISA-N -1 1 287.281 3.329 20 0 CGADMM CCOc1c(F)cccc1[N-]c1nnc(C(C)C)o1 ZINC001212533371 815053559 /nfs/dbraw/zinc/05/35/59/815053559.db2.gz GHAHIFCLEZOTOG-UHFFFAOYSA-N -1 1 265.288 3.474 20 0 CGADMM Cc1c[nH]nc1NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148861685 805212780 /nfs/dbraw/zinc/21/27/80/805212780.db2.gz URBKQBNPYWABMA-UHFFFAOYSA-N -1 1 293.326 3.343 20 0 CGADMM CSc1nc(Nc2cc3cc(F)ccc3[nH]2)cc(=O)[n-]1 ZINC001249849516 805259846 /nfs/dbraw/zinc/25/98/46/805259846.db2.gz ALPILIQBRJEQKN-UHFFFAOYSA-N -1 1 290.323 3.268 20 0 CGADMM Cc1ccc(C(=O)Cc2cc(F)c([O-])cc2F)cc1 ZINC001249912231 805301298 /nfs/dbraw/zinc/30/12/98/805301298.db2.gz IFOUPRUXVYBARU-UHFFFAOYSA-N -1 1 262.255 3.404 20 0 CGADMM Cc1ccc(C(=O)Nc2cccc(F)c2[O-])c(C)c1 ZINC001151772651 805311669 /nfs/dbraw/zinc/31/16/69/805311669.db2.gz RFZCREAYEKIONN-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cccc2ccc(=O)[nH]c21 ZINC001151779704 805312306 /nfs/dbraw/zinc/31/23/06/805312306.db2.gz KOYDFUINMAYBTN-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM [O-]c1ccc(CCOc2ccccc2)c(F)c1F ZINC001249936113 805314761 /nfs/dbraw/zinc/31/47/61/805314761.db2.gz ZIFXSYUTQVTGMI-UHFFFAOYSA-N -1 1 250.244 3.292 20 0 CGADMM [O-]c1cc(Nc2c(F)cccc2CO)c(F)c(F)c1F ZINC001249965578 805332163 /nfs/dbraw/zinc/33/21/63/805332163.db2.gz AZWZSCAMMYNNLG-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM [O-]c1cc(Nc2ccc(F)cc2CO)c(F)c(F)c1F ZINC001249966030 805332846 /nfs/dbraw/zinc/33/28/46/805332846.db2.gz XYXBTBAEXFCCBA-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM [O-]c1cc(F)c(Nc2cnnc(Cl)c2)cc1Cl ZINC001250017371 805369440 /nfs/dbraw/zinc/36/94/40/805369440.db2.gz APELBMHSXJWIQS-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM [O-]c1cc(F)c(Nc2ccnc(F)c2)cc1Cl ZINC001250020882 805371403 /nfs/dbraw/zinc/37/14/03/805371403.db2.gz UVXBEYGUOGRDFE-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM Cc1ccc(C(N)=O)cc1Nc1cc(Cl)c([O-])cc1F ZINC001250024053 805375233 /nfs/dbraw/zinc/37/52/33/805375233.db2.gz ONGVQBZZTBSCDL-UHFFFAOYSA-N -1 1 294.713 3.336 20 0 CGADMM Cc1c(F)ccc([N-]c2nonc2C2CC2)c1F ZINC001250049013 805388582 /nfs/dbraw/zinc/38/85/82/805388582.db2.gz PLIJCMFYLHLIGN-UHFFFAOYSA-N -1 1 251.236 3.277 20 0 CGADMM C[C@@H]([N-]C(=O)C(C)(F)F)c1ccc(F)cc1OC(F)F ZINC001153407935 805394697 /nfs/dbraw/zinc/39/46/97/805394697.db2.gz HQXYIRRORLVLGE-ZCFIWIBFSA-N -1 1 297.223 3.260 20 0 CGADMM CN(C(=O)c1c([O-])ccc2ccccc21)C1CC(F)(F)C1 ZINC001153497917 805399603 /nfs/dbraw/zinc/39/96/03/805399603.db2.gz JPMITQNSQRXOOL-UHFFFAOYSA-N -1 1 291.297 3.415 20 0 CGADMM C[C@H]1C[C@@H](CF)N(C(=O)c2c([O-])ccc3ccccc32)C1 ZINC001153499141 805400259 /nfs/dbraw/zinc/40/02/59/805400259.db2.gz OTZJFPJLWLNDOK-AAEUAGOBSA-N -1 1 287.334 3.366 20 0 CGADMM O=C(N[C@@H]1CC12CCC2)c1c([O-])ccc2ccccc21 ZINC001153510619 805400455 /nfs/dbraw/zinc/40/04/55/805400455.db2.gz QYAAEUDGYZIRSL-CQSZACIVSA-N -1 1 267.328 3.218 20 0 CGADMM CC1(C)CCC(CNC(=O)c2cccc([O-])c2F)CC1 ZINC001153569105 805402493 /nfs/dbraw/zinc/40/24/93/805402493.db2.gz YPXMMHPAXPQMFK-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@@H](C)[C@H]2c2ccccc2)c([O-])c1 ZINC001154728365 805481070 /nfs/dbraw/zinc/48/10/70/805481070.db2.gz SWHXZEUAGRRFPU-DYVFJYSZSA-N -1 1 296.370 3.319 20 0 CGADMM [O-]c1ccc(F)c(Nc2ccnc(F)c2)c1Cl ZINC001250228830 805504589 /nfs/dbraw/zinc/50/45/89/805504589.db2.gz MMJYVVMAQIUAHW-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM COc1ncc(F)cc1Nc1c(F)ccc([O-])c1Cl ZINC001250230414 805506200 /nfs/dbraw/zinc/50/62/00/805506200.db2.gz XOLRQTMVBKPIBV-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CCOC(=O)c1ccc(Cc2cc(F)c([O-])c(F)c2)cc1 ZINC001250326860 805570134 /nfs/dbraw/zinc/57/01/34/805570134.db2.gz SJNIJGRYZZHPHC-UHFFFAOYSA-N -1 1 292.281 3.438 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[N-]Oc2ccc(F)cc2)C[C@H]1C ZINC001165799853 807019448 /nfs/dbraw/zinc/01/94/48/807019448.db2.gz CIOKOTOIKYXNQN-UTUOFQBUSA-N -1 1 265.328 3.308 20 0 CGADMM COC(=O)Cc1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001212619410 815086359 /nfs/dbraw/zinc/08/63/59/815086359.db2.gz XWEIUWMNKLGUBL-UHFFFAOYSA-N -1 1 293.269 3.130 20 0 CGADMM CC(C)(C)Cc1nnc(-c2ccc([O-])c(F)c2)o1 ZINC001257893525 807243561 /nfs/dbraw/zinc/24/35/61/807243561.db2.gz OQIUZXUIMMCROD-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM Fc1ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)cc1 ZINC001212689402 815104288 /nfs/dbraw/zinc/10/42/88/815104288.db2.gz COGMVJCSRHLJRG-UHFFFAOYSA-N -1 1 298.199 3.285 20 0 CGADMM Fc1ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)cc1 ZINC001212689402 815104291 /nfs/dbraw/zinc/10/42/91/815104291.db2.gz COGMVJCSRHLJRG-UHFFFAOYSA-N -1 1 298.199 3.285 20 0 CGADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167924129 807275030 /nfs/dbraw/zinc/27/50/30/807275030.db2.gz ONALCWZACQZGLZ-CLLJXQQHSA-N -1 1 269.348 3.097 20 0 CGADMM FC(F)(F)[C@@H]([N-]c1nncc2ccoc21)c1ccccn1 ZINC001168479332 807431532 /nfs/dbraw/zinc/43/15/32/807431532.db2.gz GOFHSSSDCCIVLX-NSHDSACASA-N -1 1 294.236 3.333 20 0 CGADMM Cc1coc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1C ZINC001258497364 807478417 /nfs/dbraw/zinc/47/84/17/807478417.db2.gz PYRZKQRCFOCRHY-UHFFFAOYSA-N -1 1 297.314 3.244 20 0 CGADMM Cc1cccc([N-]S(=O)(=O)c2cc(C)cc(C)c2)c1 ZINC001259516354 807679412 /nfs/dbraw/zinc/67/94/12/807679412.db2.gz NSDSAHBLDFHBGK-UHFFFAOYSA-N -1 1 275.373 3.413 20 0 CGADMM CCCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260195750 807696822 /nfs/dbraw/zinc/69/68/22/807696822.db2.gz JMBKAUCOUDYYHR-UHFFFAOYSA-N -1 1 297.754 3.087 20 0 CGADMM CCCC[C@@H](CC(C)C)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001173252568 808558676 /nfs/dbraw/zinc/55/86/76/808558676.db2.gz JTIGXLVVXAKBDI-JTQLQIEISA-N -1 1 277.372 3.075 20 0 CGADMM COc1cc(O)ccc1Nc1cc(F)c([O-])cc1F ZINC001213098400 815234198 /nfs/dbraw/zinc/23/41/98/815234198.db2.gz QOAPVVBXXRCMGJ-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccc2[nH]ccc2c1 ZINC001173937153 808774180 /nfs/dbraw/zinc/77/41/80/808774180.db2.gz MUURMIUNTVNISK-UHFFFAOYSA-N -1 1 287.304 3.094 20 0 CGADMM FC(F)(F)c1ccc([N-]c2nonc2C2CC2)cn1 ZINC001174309501 808947428 /nfs/dbraw/zinc/94/74/28/808947428.db2.gz GZQHHOMAOIEOAR-UHFFFAOYSA-N -1 1 270.214 3.104 20 0 CGADMM COc1ccc(F)c(F)c1Nc1ccnc(Cl)c1[O-] ZINC001174424521 809015244 /nfs/dbraw/zinc/01/52/44/809015244.db2.gz ILMWEDKMXNRJOT-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CSc1nc(Nc2ccc3ccn(C)c3c2)cc(=O)[n-]1 ZINC001174514894 809056812 /nfs/dbraw/zinc/05/68/12/809056812.db2.gz HDCNXMGZBPHFBW-UHFFFAOYSA-N -1 1 286.360 3.139 20 0 CGADMM CCO[C@H](C)n1cc(Nc2cc([O-])c(F)c(F)c2)cn1 ZINC001174705178 809139306 /nfs/dbraw/zinc/13/93/06/809139306.db2.gz YDTYELDIYWICAZ-MRVPVSSYSA-N -1 1 283.278 3.166 20 0 CGADMM COc1ccnc(-c2nc(-c3cccc(C)c3C)no2)c1[O-] ZINC001213326417 815265501 /nfs/dbraw/zinc/26/55/01/815265501.db2.gz NQLGPJBDMDYHBV-UHFFFAOYSA-N -1 1 297.314 3.130 20 0 CGADMM COC(=O)c1ncsc1[N-]c1c(F)ccc(F)c1F ZINC001175028757 809244980 /nfs/dbraw/zinc/24/49/80/809244980.db2.gz WKVWBHDGPYDXQB-UHFFFAOYSA-N -1 1 288.250 3.091 20 0 CGADMM CCOc1ccc(F)cc1Nc1cc(=O)[n-]c(SC)n1 ZINC001175079912 809260960 /nfs/dbraw/zinc/26/09/60/809260960.db2.gz QSAVMTGGCYBGJO-UHFFFAOYSA-N -1 1 295.339 3.186 20 0 CGADMM COc1cc(Nc2ccc(F)c(F)c2[O-])cc(OC)c1 ZINC001175109512 809275011 /nfs/dbraw/zinc/27/50/11/809275011.db2.gz UPMFPBMIMNUEHA-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM C[S@](=O)c1ccccc1Nc1ccc(F)c(F)c1[O-] ZINC001175319188 809354116 /nfs/dbraw/zinc/35/41/16/809354116.db2.gz SOPBTYTZNWMSHO-IBGZPJMESA-N -1 1 283.299 3.151 20 0 CGADMM Cc1n[nH]c2ccc([N-]c3nnc(-c4ccco4)o3)cc12 ZINC001175693083 809507861 /nfs/dbraw/zinc/50/78/61/809507861.db2.gz YRWORDUUJIDWBM-UHFFFAOYSA-N -1 1 281.275 3.258 20 0 CGADMM Cc1[nH]nc2ccc([N-]c3nnc(-c4ccco4)o3)cc12 ZINC001175693083 809507867 /nfs/dbraw/zinc/50/78/67/809507867.db2.gz YRWORDUUJIDWBM-UHFFFAOYSA-N -1 1 281.275 3.258 20 0 CGADMM Cc1csc([C@H](C)C(=O)Nc2cc([O-])c(F)cc2F)n1 ZINC001298972456 809542955 /nfs/dbraw/zinc/54/29/55/809542955.db2.gz FVRNCYYOBDFZRI-SSDOTTSWSA-N -1 1 298.314 3.178 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCSC2(CCC2)CC1 ZINC001299341554 809548885 /nfs/dbraw/zinc/54/88/85/809548885.db2.gz YCUFDAPFUUYOIS-UHFFFAOYSA-N -1 1 295.379 3.033 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1scnc1Cl ZINC001299580358 809551797 /nfs/dbraw/zinc/55/17/97/809551797.db2.gz FJICOZTURRGZQB-UHFFFAOYSA-N -1 1 290.678 3.033 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cccc2c1OCC2 ZINC001176075336 809614450 /nfs/dbraw/zinc/61/44/50/809614450.db2.gz KTPOCSDSHVNKSI-UHFFFAOYSA-N -1 1 262.696 3.119 20 0 CGADMM CC(C)(C)c1nnc([N-]c2ccc3c(c2)CCC3=O)o1 ZINC001176232665 809652623 /nfs/dbraw/zinc/65/26/23/809652623.db2.gz NXOMWSZFTZFOGD-UHFFFAOYSA-N -1 1 271.320 3.240 20 0 CGADMM COc1ncc(F)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664855 809738613 /nfs/dbraw/zinc/73/86/13/809738613.db2.gz VZHUISWNLZBUDP-UHFFFAOYSA-N -1 1 288.200 3.096 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccccc2O)c1F ZINC001176673286 809741194 /nfs/dbraw/zinc/74/11/94/809741194.db2.gz RTOJNNJOMCCPAO-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM [O-]c1c(Nc2cnc3nonc3c2)ccc(Cl)c1Cl ZINC001176695145 809742709 /nfs/dbraw/zinc/74/27/09/809742709.db2.gz GHERQPCJPSBOLP-UHFFFAOYSA-N -1 1 297.101 3.374 20 0 CGADMM CC(C)O[C@H]1CCCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001182726456 810121393 /nfs/dbraw/zinc/12/13/93/810121393.db2.gz SUIFMNYKRVUKQG-LBPRGKRZSA-N -1 1 285.334 3.060 20 0 CGADMM CC[C@H]1CCC[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183218911 810141303 /nfs/dbraw/zinc/14/13/03/810141303.db2.gz QQBJYZYAMFPJGP-IUCAKERBSA-N -1 1 268.744 3.205 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cnc2ccc(Cl)cc21)C1CC1 ZINC001183519626 810150958 /nfs/dbraw/zinc/15/09/58/810150958.db2.gz UVTVDTWYKLWBBE-QMMMGPOBSA-N -1 1 290.750 3.122 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)NC1CCCC1 ZINC001185903065 810302118 /nfs/dbraw/zinc/30/21/18/810302118.db2.gz OZNNDPYJKVEDCV-UHFFFAOYSA-N -1 1 299.168 3.219 20 0 CGADMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001187130854 810387585 /nfs/dbraw/zinc/38/75/85/810387585.db2.gz UVWQDAJJXNZIBH-UWVGGRQHSA-N -1 1 299.367 3.285 20 0 CGADMM Cc1cc(N)ccc1Nc1cc(F)c([O-])cc1F ZINC001214121312 815372216 /nfs/dbraw/zinc/37/22/16/815372216.db2.gz LKFUOJBIWKZGMP-UHFFFAOYSA-N -1 1 250.248 3.305 20 0 CGADMM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190847109 810652495 /nfs/dbraw/zinc/65/24/95/810652495.db2.gz UXJQOPJAAOIDSV-LBPRGKRZSA-N -1 1 290.388 3.396 20 0 CGADMM Cc1ccc(O)c(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001214229221 815387599 /nfs/dbraw/zinc/38/75/99/815387599.db2.gz JAVZTIIOOTZBPP-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])NC1CCCCCC1 ZINC001191270558 810695034 /nfs/dbraw/zinc/69/50/34/810695034.db2.gz YNCNNJRLPQNNDA-UHFFFAOYSA-N -1 1 266.316 3.376 20 0 CGADMM O=S(=O)(CC1CCCC1)[N-]c1ccc2ccccc2n1 ZINC001191477329 810716955 /nfs/dbraw/zinc/71/69/55/810716955.db2.gz SWUWJKIUWXLPRH-UHFFFAOYSA-N -1 1 290.388 3.167 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC001191815780 810746111 /nfs/dbraw/zinc/74/61/11/810746111.db2.gz LXMSPSGTZNVMDY-KYZUINATSA-N -1 1 284.306 3.371 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC001191823077 810746201 /nfs/dbraw/zinc/74/62/01/810746201.db2.gz FGKJZSMWVOSCGV-KYZUINATSA-N -1 1 284.306 3.371 20 0 CGADMM O=C(Nc1ccc(OC(F)F)cc1)Nc1ncccc1[O-] ZINC001192144585 810771115 /nfs/dbraw/zinc/77/11/15/810771115.db2.gz IKODHJZFHLPWCD-UHFFFAOYSA-N -1 1 295.245 3.033 20 0 CGADMM CCCC[C@H](C)NC(=O)Nc1c(F)cc([O-])cc1F ZINC001193065602 810851098 /nfs/dbraw/zinc/85/10/98/810851098.db2.gz VWOOOUQYFCZTSB-QMMMGPOBSA-N -1 1 272.295 3.371 20 0 CGADMM Cc1ccc(Nc2c([O-])cc(F)cc2F)c(CO)c1 ZINC001214457281 815411463 /nfs/dbraw/zinc/41/14/63/815411463.db2.gz QTLGHAJRNGPLBX-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM COC(=O)c1ncccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214479607 815415464 /nfs/dbraw/zinc/41/54/64/815415464.db2.gz BOAHPDNDWXXCLJ-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM Cc1cc2cc(N)cnc2n1-c1cc(F)c([O-])c(Cl)c1 ZINC001214482995 815416699 /nfs/dbraw/zinc/41/66/99/815416699.db2.gz YKIQHAANNMLLCY-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM CCN(C)c1ncc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214484215 815416739 /nfs/dbraw/zinc/41/67/39/815416739.db2.gz FXRIMPOJJMSQJE-UHFFFAOYSA-N -1 1 296.733 3.174 20 0 CGADMM COc1cccc([N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194603515 811094018 /nfs/dbraw/zinc/09/40/18/811094018.db2.gz XJMAPAXEHIZCRI-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM CC[C@@H](C)COC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001194765940 811129721 /nfs/dbraw/zinc/12/97/21/811129721.db2.gz GDQBCFZEFVSHMO-LLVKDONJSA-N -1 1 289.335 3.173 20 0 CGADMM COC(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1F ZINC001214581085 815426472 /nfs/dbraw/zinc/42/64/72/815426472.db2.gz SHMOLKGQNVYKOX-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])Oc1ccc(F)cc1 ZINC001195036487 811188361 /nfs/dbraw/zinc/18/83/61/811188361.db2.gz WDVMGIDDAGAOBR-UHFFFAOYSA-N -1 1 265.215 3.281 20 0 CGADMM [O-]c1cc(Cl)cnc1NC(=S)NC1CCCCC1 ZINC001200643585 811725272 /nfs/dbraw/zinc/72/52/72/811725272.db2.gz YOGOFMKZPFWCFJ-UHFFFAOYSA-N -1 1 285.800 3.060 20 0 CGADMM O=C(Nc1ccc(F)cc1)Nc1cccc(F)c1[O-] ZINC001202355923 812073089 /nfs/dbraw/zinc/07/30/89/812073089.db2.gz ZZOJGYQXKSHMIM-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM COc1ccc(NC(=O)Nc2cccc(F)c2[O-])c(C)c1 ZINC001202728204 812158944 /nfs/dbraw/zinc/15/89/44/812158944.db2.gz WUKGAXQYVFEERQ-UHFFFAOYSA-N -1 1 290.294 3.492 20 0 CGADMM O=C([O-])c1cc(Nc2ccc3nccn3c2)cc(F)c1F ZINC001215457745 815520604 /nfs/dbraw/zinc/52/06/04/815520604.db2.gz LNDGOURWVCLJCV-UHFFFAOYSA-N -1 1 289.241 3.054 20 0 CGADMM CCc1nc(OC)ccc1Nc1cc([O-])c(F)c(F)c1 ZINC001203590546 812403821 /nfs/dbraw/zinc/40/38/21/812403821.db2.gz QLIRUUKTLOCKFF-UHFFFAOYSA-N -1 1 280.274 3.380 20 0 CGADMM Cc1cnc(C)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001203663874 812423128 /nfs/dbraw/zinc/42/31/28/812423128.db2.gz XQUYGYFXERNYND-UHFFFAOYSA-N -1 1 250.248 3.426 20 0 CGADMM COCc1cc(C)c(-n2[n-]c(=O)c3cc(N)ccc32)c(C)c1 ZINC001215530214 815530492 /nfs/dbraw/zinc/53/04/92/815530492.db2.gz LMNAFNBZAVSPNW-UHFFFAOYSA-N -1 1 297.358 3.077 20 0 CGADMM Cc1cc(O)cc(Nc2ccnc(Cl)c2[O-])c1 ZINC001215511478 815527220 /nfs/dbraw/zinc/52/72/20/815527220.db2.gz HNSWPDJUMWGKMO-UHFFFAOYSA-N -1 1 250.685 3.198 20 0 CGADMM CSc1nc(Nc2c3cc[nH]c3ccc2F)cc(=O)[n-]1 ZINC001204257241 812589398 /nfs/dbraw/zinc/58/93/98/812589398.db2.gz SLTGSQFROHJLGN-UHFFFAOYSA-N -1 1 290.323 3.268 20 0 CGADMM O=C([O-])c1c(F)ccc(-c2cccc3nc[nH]c32)c1F ZINC001205083111 812853631 /nfs/dbraw/zinc/85/36/31/812853631.db2.gz ROCHQAGCYMGTAN-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)nn1 ZINC001205293442 812935032 /nfs/dbraw/zinc/93/50/32/812935032.db2.gz CNWIPYIYMCOMOY-UHFFFAOYSA-N -1 1 274.667 3.113 20 0 CGADMM Cc1cc(-c2ccsc2C(=O)[O-])cc2nc[nH]c21 ZINC001205572958 813009329 /nfs/dbraw/zinc/00/93/29/813009329.db2.gz RAMXLVYBGDPQOR-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM Cc1ccc(Nc2cc(F)c([O-])cc2F)c(O)c1 ZINC001206290617 813273883 /nfs/dbraw/zinc/27/38/83/813273883.db2.gz URYSKFHYXJFRNT-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM CSc1cccnc1NCc1ccc([O-])c(F)c1F ZINC001206537995 813342289 /nfs/dbraw/zinc/34/22/89/813342289.db2.gz QFBDBEXZKQXBFU-UHFFFAOYSA-N -1 1 282.315 3.399 20 0 CGADMM COc1ccc(Nc2cnc3cccc(C)n23)cc1C(=O)[O-] ZINC001209900746 814194071 /nfs/dbraw/zinc/19/40/71/814194071.db2.gz GYJALEBOAGCJJV-UHFFFAOYSA-N -1 1 297.314 3.093 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc(OCC2CC2)nc1 ZINC001210011915 814241866 /nfs/dbraw/zinc/24/18/66/814241866.db2.gz LUMREPDAQJMYAQ-UHFFFAOYSA-N -1 1 291.738 3.368 20 0 CGADMM CSc1nc(Nc2cccc(C)c2F)cc(=O)[n-]1 ZINC001210034979 814255521 /nfs/dbraw/zinc/25/55/21/814255521.db2.gz LPXNTZRFQRFOLL-UHFFFAOYSA-N -1 1 265.313 3.095 20 0 CGADMM COc1ccc(C(C)=O)cc1[N-]c1nnc(C(C)(C)C)o1 ZINC001210076474 814276245 /nfs/dbraw/zinc/27/62/45/814276245.db2.gz OGICJUOSJPPENE-UHFFFAOYSA-N -1 1 289.335 3.322 20 0 CGADMM Nc1ccccc1-c1ccn(-c2cccc(Cl)c2[O-])n1 ZINC001210223871 814350420 /nfs/dbraw/zinc/35/04/20/814350420.db2.gz ZQWGHBWANHRTAI-UHFFFAOYSA-N -1 1 285.734 3.481 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cnn(C(F)(F)F)c1 ZINC001210365105 814424775 /nfs/dbraw/zinc/42/47/75/814424775.db2.gz MFHVBNZJJVNFRY-UHFFFAOYSA-N -1 1 279.168 3.087 20 0 CGADMM C[C@@H](O)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001210513741 814501615 /nfs/dbraw/zinc/50/16/15/814501615.db2.gz CLVVBDGLSGKRDN-MRVPVSSYSA-N -1 1 265.259 3.467 20 0 CGADMM [O-]c1cccc(-c2nccnc2C(F)F)c1Cl ZINC001242799306 823135892 /nfs/dbraw/zinc/13/58/92/823135892.db2.gz DPXUGOLQDSPXQT-UHFFFAOYSA-N -1 1 256.639 3.440 20 0 CGADMM COc1nccc(Nc2cc([O-])c(Cl)cc2F)c1OC ZINC001211087413 814739393 /nfs/dbraw/zinc/73/93/93/814739393.db2.gz LOSVJNPMFGMDRG-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM CN1C(=O)Cc2cc(-c3cccc([O-])c3Cl)ccc21 ZINC001242799802 823136585 /nfs/dbraw/zinc/13/65/85/823136585.db2.gz CWYZOSWDFNKHNO-UHFFFAOYSA-N -1 1 273.719 3.232 20 0 CGADMM [O-]c1cccc(-c2cnc(N3CCCC3)cn2)c1Cl ZINC001242801311 823137068 /nfs/dbraw/zinc/13/70/68/823137068.db2.gz XXJSZWMQCGLJJU-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM Cc1c(CO)cccc1Nc1cc(F)c([O-])cc1F ZINC001211167276 814839582 /nfs/dbraw/zinc/83/95/82/814839582.db2.gz YNZOYXRHNYMOLH-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM O=c1ccc(-c2cccc([O-])c2Cl)nn1CC1CCC1 ZINC001242801588 823137126 /nfs/dbraw/zinc/13/71/26/823137126.db2.gz BGYHINPVCGEOHG-UHFFFAOYSA-N -1 1 290.750 3.069 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1cnccc1Cl ZINC001211209797 814849713 /nfs/dbraw/zinc/84/97/13/814849713.db2.gz QNRWOUYGNQWESW-UHFFFAOYSA-N -1 1 288.690 3.291 20 0 CGADMM Cc1cc(-c2cccc([O-])c2Cl)cc2c1OCC(=O)N2 ZINC001242802794 823138117 /nfs/dbraw/zinc/13/81/17/823138117.db2.gz IMBAUZLLKJQZGX-UHFFFAOYSA-N -1 1 289.718 3.352 20 0 CGADMM COC(=O)Cc1ccccc1-c1cc(F)c([O-])cc1F ZINC001211339947 814881941 /nfs/dbraw/zinc/88/19/41/814881941.db2.gz QOZHTBNMLSEREN-UHFFFAOYSA-N -1 1 278.254 3.053 20 0 CGADMM CCS(=O)(=O)c1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211340217 814882337 /nfs/dbraw/zinc/88/23/37/814882337.db2.gz UKLIMWDJQNOIDF-UHFFFAOYSA-N -1 1 298.310 3.131 20 0 CGADMM [O-]c1cc(F)c(-c2cnc3cccnc3c2)cc1F ZINC001211350567 814883523 /nfs/dbraw/zinc/88/35/23/814883523.db2.gz UBKLTESDHRHJCI-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOCc1cncc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001215790115 815592422 /nfs/dbraw/zinc/59/24/22/815592422.db2.gz OCVWVHAOKNNAHN-UHFFFAOYSA-N -1 1 280.274 3.346 20 0 CGADMM Clc1cc2n[nH]cc2c([N-]c2nonc2C2CC2)c1 ZINC001215858722 815616171 /nfs/dbraw/zinc/61/61/71/815616171.db2.gz QIKKLRURUCZLJB-UHFFFAOYSA-N -1 1 275.699 3.220 20 0 CGADMM CCOc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)c(C)c1C ZINC001215991836 815654376 /nfs/dbraw/zinc/65/43/76/815654376.db2.gz FVLPPNQGNQTVMP-UHFFFAOYSA-N -1 1 297.358 3.329 20 0 CGADMM Cc1cc(C)c(N)c(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001216098396 815692407 /nfs/dbraw/zinc/69/24/07/815692407.db2.gz LUDXHGFCVBGCDW-UHFFFAOYSA-N -1 1 296.326 3.441 20 0 CGADMM Cc1cc(C)c(-c2noc(-c3cc([O-])cc(F)c3)n2)cn1 ZINC001216339165 815791206 /nfs/dbraw/zinc/79/12/06/815791206.db2.gz BOTVVBCDQDIMLX-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM COc1ccc(-c2noc(-c3cc([O-])cc(F)c3)n2)cc1 ZINC001216339773 815791962 /nfs/dbraw/zinc/79/19/62/815791962.db2.gz LYMDBUSTOHIRKT-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM [O-]c1ccc(Cl)c(NC2=CCCOC2)c1Cl ZINC001216509408 815846904 /nfs/dbraw/zinc/84/69/04/815846904.db2.gz IIIMUFAPPBXKQM-UHFFFAOYSA-N -1 1 260.120 3.415 20 0 CGADMM C=C(c1ccccc1)c1ccc2[n-]c(C(=O)OC)nc2c1 ZINC001242894930 823166757 /nfs/dbraw/zinc/16/67/57/823166757.db2.gz YDPIRVNRIWTKRN-UHFFFAOYSA-N -1 1 278.311 3.411 20 0 CGADMM C=C(c1ccccc1)c1ccc2nc(C(=O)OC)[n-]c2c1 ZINC001242894930 823166760 /nfs/dbraw/zinc/16/67/60/823166760.db2.gz YDPIRVNRIWTKRN-UHFFFAOYSA-N -1 1 278.311 3.411 20 0 CGADMM CSc1ncc(-c2cc(F)c([O-])cc2F)c(C)n1 ZINC001222082306 816342959 /nfs/dbraw/zinc/34/29/59/816342959.db2.gz BQVJHITUPXCYEC-UHFFFAOYSA-N -1 1 268.288 3.158 20 0 CGADMM CCOC(=O)c1cc(C)c(-c2cc(F)c([O-])cc2F)cn1 ZINC001222083219 816343137 /nfs/dbraw/zinc/34/31/37/816343137.db2.gz UNBGMFKVGHQJRC-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM CC1=C(/C=C/[C@H](C)OCc2nn[n-]n2)C(C)(C)CCC1 ZINC001223027170 816554214 /nfs/dbraw/zinc/55/42/14/816554214.db2.gz MWFRJKQIPYFZHD-GUOLPTJISA-N -1 1 276.384 3.188 20 0 CGADMM CC(C)CCC[C@@H](C)OCCCC[P@](=O)([O-])O ZINC001225018720 816932735 /nfs/dbraw/zinc/93/27/35/816932735.db2.gz GMBXXWDJSOLCGI-GFCCVEGCSA-N -1 1 266.318 3.176 20 0 CGADMM CC[C@@H](OCCCC[P@](=O)([O-])O)c1ccccc1F ZINC001225018741 816933106 /nfs/dbraw/zinc/93/31/06/816933106.db2.gz GXHWBQWTPCOIOK-CYBMUJFWSA-N -1 1 290.271 3.251 20 0 CGADMM CCC[C@H](OCCCC[P@](=O)([O-])O)C(C)(C)C ZINC001225019097 816934164 /nfs/dbraw/zinc/93/41/64/816934164.db2.gz RBEXMMPISZXXAS-NSHDSACASA-N -1 1 266.318 3.176 20 0 CGADMM CCCCOC[C@@H](C)Oc1cc([O-])ccc1C(C)=O ZINC001225615613 817112438 /nfs/dbraw/zinc/11/24/38/817112438.db2.gz BVTLGHUFUWRZAQ-LLVKDONJSA-N -1 1 266.337 3.179 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCC(=O)CC1(C)C ZINC001225616321 817114185 /nfs/dbraw/zinc/11/41/85/817114185.db2.gz ILJORYNFNCHOJK-HNNXBMFYSA-N -1 1 276.332 3.121 20 0 CGADMM C[C@@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)C1CC1 ZINC001226183339 817292983 /nfs/dbraw/zinc/29/29/83/817292983.db2.gz TXIYTVKKUJAXHI-SNVBAGLBSA-N -1 1 256.305 3.027 20 0 CGADMM CCC[C@H]1CCCC[C@@H]1Oc1nc(=O)[n-]cc1C(C)=O ZINC001226238273 817307630 /nfs/dbraw/zinc/30/76/30/817307630.db2.gz QRTVATALAUPZEA-AAEUAGOBSA-N -1 1 278.352 3.123 20 0 CGADMM CCC[C@@H]1CCCC[C@@H]1Oc1nc(=O)[n-]cc1C(C)=O ZINC001226238278 817307721 /nfs/dbraw/zinc/30/77/21/817307721.db2.gz QRTVATALAUPZEA-YPMHNXCESA-N -1 1 278.352 3.123 20 0 CGADMM COc1cccc([C@H](C)Oc2[n-]c(=O)nc(C)c2Cl)c1 ZINC001227111770 817561390 /nfs/dbraw/zinc/56/13/90/817561390.db2.gz QOLNLQXWBIEOOP-VIFPVBQESA-N -1 1 294.738 3.293 20 0 CGADMM Cc1ccc2c(c1)[C@@H](Oc1[n-]c(=S)ncc1F)CC2 ZINC001227386212 817636549 /nfs/dbraw/zinc/63/65/49/817636549.db2.gz RYCIYOXNYTYXLV-LBPRGKRZSA-N -1 1 276.336 3.279 20 0 CGADMM [O-]c1cc(Cl)c(O[C@H]2CCCOC2)cc1Cl ZINC001227641840 817686284 /nfs/dbraw/zinc/68/62/84/817686284.db2.gz RYPODJMJNCKINA-ZETCQYMHSA-N -1 1 263.120 3.257 20 0 CGADMM CSc1nc(O[C@H](C)c2c(F)cccc2F)cc(=O)[n-]1 ZINC001228090408 817809189 /nfs/dbraw/zinc/80/91/89/817809189.db2.gz KLLVUWWEKXOCAX-SSDOTTSWSA-N -1 1 298.314 3.322 20 0 CGADMM O=C(c1ccccc1)c1ccc([O-])cc1O[C@@H]1CCCOC1 ZINC001228182158 817834264 /nfs/dbraw/zinc/83/42/64/817834264.db2.gz BUMOWUNPLOWUGK-OAHLLOKOSA-N -1 1 298.338 3.181 20 0 CGADMM Cc1cc(-c2nccc3[nH]ccc32)ccc1C(=O)[O-] ZINC001243211116 823293771 /nfs/dbraw/zinc/29/37/71/823293771.db2.gz KDTHOEWPFHVGGP-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CCCC[C@@H](Oc1nc(C(=O)OC)n[n-]1)C1CCCCC1 ZINC001228309942 817872225 /nfs/dbraw/zinc/87/22/25/817872225.db2.gz BDYCHYQNQDLRNQ-GFCCVEGCSA-N -1 1 295.383 3.109 20 0 CGADMM CCCC[C@@H](Oc1n[n-]c(C(=O)OC)n1)C1CCCCC1 ZINC001228309942 817872234 /nfs/dbraw/zinc/87/22/34/817872234.db2.gz BDYCHYQNQDLRNQ-GFCCVEGCSA-N -1 1 295.383 3.109 20 0 CGADMM CCCCC[C@@H](CCCC)Oc1nc(C(=O)OC)n[n-]1 ZINC001228311633 817872732 /nfs/dbraw/zinc/87/27/32/817872732.db2.gz MDJLJHAEASSMBE-LLVKDONJSA-N -1 1 283.372 3.109 20 0 CGADMM CCCCC[C@@H](CCCC)Oc1n[n-]c(C(=O)OC)n1 ZINC001228311633 817872741 /nfs/dbraw/zinc/87/27/41/817872741.db2.gz MDJLJHAEASSMBE-LLVKDONJSA-N -1 1 283.372 3.109 20 0 CGADMM S=c1nncc(OC(c2ccccc2)c2ccccc2)[n-]1 ZINC001228640471 817959941 /nfs/dbraw/zinc/95/99/41/817959941.db2.gz RWJNIBREETWPFD-UHFFFAOYSA-N -1 1 295.367 3.329 20 0 CGADMM CN(CC(=O)c1ccccc1)Cc1cccc([O-])c1Cl ZINC001232789197 818440699 /nfs/dbraw/zinc/44/06/99/818440699.db2.gz YGRYQFMPSCVKFG-UHFFFAOYSA-N -1 1 289.762 3.360 20 0 CGADMM O=C1CCN(Cc2ccc(F)c([O-])c2F)[C@H]2CCCC[C@@H]12 ZINC001232931623 818475241 /nfs/dbraw/zinc/47/52/41/818475241.db2.gz PDUSDMZDANCWAU-YPMHNXCESA-N -1 1 295.329 3.004 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@H]2c2ccncc2)c1F ZINC001232936142 818478027 /nfs/dbraw/zinc/47/80/27/818478027.db2.gz QBLAENMUWKSWQU-AWEZNQCLSA-N -1 1 290.313 3.403 20 0 CGADMM Cc1cccc2c1CN(Cc1cc([O-])c(F)c(F)c1)C2 ZINC001232971180 818487140 /nfs/dbraw/zinc/48/71/40/818487140.db2.gz XDSLDWOJCFLANP-UHFFFAOYSA-N -1 1 275.298 3.495 20 0 CGADMM CN(Cc1cc([O-])c(F)c(F)c1)Cc1ccccc1F ZINC001232970164 818488813 /nfs/dbraw/zinc/48/88/13/818488813.db2.gz ACJDYAVZYMHFQE-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM Cc1cc([C@H]2CCCN2Cc2cc(Cl)ncc2[O-])no1 ZINC001233032880 818504287 /nfs/dbraw/zinc/50/42/87/818504287.db2.gz VQJXAQOZPGJKNY-GFCCVEGCSA-N -1 1 293.754 3.074 20 0 CGADMM COc1cnc(-c2ccc([O-])c(F)c2F)c2[nH]ccc21 ZINC001243340238 823354168 /nfs/dbraw/zinc/35/41/68/823354168.db2.gz RXLUTECRODYFNV-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@H](C)COCC ZINC001233649836 818669889 /nfs/dbraw/zinc/66/98/89/818669889.db2.gz CVHWFBLNYOKQAA-LLVKDONJSA-N -1 1 266.337 3.179 20 0 CGADMM CCOc1ccnc(-c2ccc([O-])c(F)c2F)c1 ZINC001243342023 823356009 /nfs/dbraw/zinc/35/60/09/823356009.db2.gz ZFEGKRNNJOBVDD-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM CC[C@H]1OC(=O)C(Oc2c(Cl)ccc([O-])c2F)=C1C ZINC001234265494 818821126 /nfs/dbraw/zinc/82/11/26/818821126.db2.gz WGEJGCFHQPCLKE-SECBINFHSA-N -1 1 286.686 3.173 20 0 CGADMM CCC1CCC(Oc2[n-]c(=O)c(F)cc2C(=O)OC)CC1 ZINC001234606605 818890419 /nfs/dbraw/zinc/89/04/19/818890419.db2.gz GNLZBFZKZGAIQG-UHFFFAOYSA-N -1 1 297.326 3.061 20 0 CGADMM C[C@@H](Oc1nc2sccc2[n-]1)c1ncccc1F ZINC001234847371 818932194 /nfs/dbraw/zinc/93/21/94/818932194.db2.gz IGKLFSCVRZKMFT-SSDOTTSWSA-N -1 1 263.297 3.299 20 0 CGADMM O=C([O-])c1ccc(-c2cc3nc[nH]c3cc2F)cc1 ZINC001236064230 819297372 /nfs/dbraw/zinc/29/73/72/819297372.db2.gz NIWBYGFEEOMLCL-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM CCOC(=O)c1cnc(-c2c(F)ccc(C)c2[O-])c(C)c1 ZINC001236389993 819446677 /nfs/dbraw/zinc/44/66/77/819446677.db2.gz CAQMLZLPFFLBFE-UHFFFAOYSA-N -1 1 289.306 3.387 20 0 CGADMM COc1cccc2c1ncnc2-c1c(F)ccc(C)c1[O-] ZINC001236394228 819448713 /nfs/dbraw/zinc/44/87/13/819448713.db2.gz VCIKGSSLVGYJDA-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM COc1ccc(-c2c(F)ccc(C)c2[O-])nc1F ZINC001236404890 819453090 /nfs/dbraw/zinc/45/30/90/819453090.db2.gz RWPISISDVDTLHE-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM Cc1ccc(F)c(-c2cnc(OCC3CCC3)cn2)c1[O-] ZINC001236416852 819462365 /nfs/dbraw/zinc/46/23/65/819462365.db2.gz YWBVZQIPUSXKNK-UHFFFAOYSA-N -1 1 288.322 3.476 20 0 CGADMM COC(=O)CCc1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243503437 823422317 /nfs/dbraw/zinc/42/23/17/823422317.db2.gz FIHSRMZLSCEKME-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccnc2ncccc21 ZINC001243503770 823422872 /nfs/dbraw/zinc/42/28/72/823422872.db2.gz GQTPEYBMDZINQK-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM O=C1CCN1c1cccc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243505513 823423206 /nfs/dbraw/zinc/42/32/06/823423206.db2.gz HIVHBASVWSHPFL-UHFFFAOYSA-N -1 1 275.254 3.074 20 0 CGADMM Cn1cnc2c1cccc2-c1cc(F)cc(F)c1[O-] ZINC001243505609 823423376 /nfs/dbraw/zinc/42/33/76/823423376.db2.gz VBMBRCIJRWSFQF-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CCOC(=O)c1ncc(-c2cc(F)cc(F)c2[O-])cc1C ZINC001243505994 823423777 /nfs/dbraw/zinc/42/37/77/823423777.db2.gz YJQTXOIDELXTTB-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COc1ccc2c(C)nc(-c3cccc([O-])c3F)nc2c1 ZINC001243542116 823436513 /nfs/dbraw/zinc/43/65/13/823436513.db2.gz LJUGMJLTRFJOHV-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM COc1cc(OC)nc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243576376 823451220 /nfs/dbraw/zinc/45/12/20/823451220.db2.gz MSTPRLZKSIZWQM-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM COc1cnc(-c2ccc(Cl)c([O-])c2)nc1NC(C)C ZINC001243576752 823451320 /nfs/dbraw/zinc/45/13/20/823451320.db2.gz LYFBQSFDVNUYKD-UHFFFAOYSA-N -1 1 293.754 3.332 20 0 CGADMM [O-]c1cc(-c2ncc3ncsc3n2)ccc1Cl ZINC001243576425 823451400 /nfs/dbraw/zinc/45/14/00/823451400.db2.gz OCPHWUXBFQOPGS-UHFFFAOYSA-N -1 1 263.709 3.112 20 0 CGADMM COC(=O)c1ccc(F)c(-c2ccc(Cl)c([O-])c2)n1 ZINC001243576372 823451438 /nfs/dbraw/zinc/45/14/38/823451438.db2.gz MKNMKRGNYRMEJP-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM Cc1c(-c2ccc(Cl)c([O-])c2)cnc2nccnc12 ZINC001243578385 823452319 /nfs/dbraw/zinc/45/23/19/823452319.db2.gz ONJDTGYZPYUFAF-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM Nc1ccc(-c2ccc(C(F)(F)F)cc2[O-])nc1 ZINC001243608521 823465508 /nfs/dbraw/zinc/46/55/08/823465508.db2.gz JXIAFPSCSBUMTP-UHFFFAOYSA-N -1 1 254.211 3.055 20 0 CGADMM COC(=O)c1nc2cc(-c3c(F)cccc3F)ccc2[n-]1 ZINC001239573682 820423535 /nfs/dbraw/zinc/42/35/35/820423535.db2.gz KHOWWNGKPDVLCZ-UHFFFAOYSA-N -1 1 288.253 3.295 20 0 CGADMM COC(=O)c1nc2ccc(-c3c(F)cccc3F)cc2[n-]1 ZINC001239573682 820423540 /nfs/dbraw/zinc/42/35/40/820423540.db2.gz KHOWWNGKPDVLCZ-UHFFFAOYSA-N -1 1 288.253 3.295 20 0 CGADMM O=C([O-])/C=C/c1cccc(-c2ccc3cncn3c2)c1 ZINC001240548058 821134436 /nfs/dbraw/zinc/13/44/36/821134436.db2.gz GLBXNWCMTHAJKR-QPJJXVBHSA-N -1 1 264.284 3.099 20 0 CGADMM [O-]c1ccc(F)cc1-c1ncnc2ccc(F)cc21 ZINC001240693353 821250085 /nfs/dbraw/zinc/25/00/85/821250085.db2.gz OFHVFGKDEYORBY-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Cc1nnc(-c2ccc([O-])c(F)c2)c2ccccc12 ZINC001240782817 821320627 /nfs/dbraw/zinc/32/06/27/821320627.db2.gz KMQPCUHJGMZROR-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM CC1CCN(c2cncc(-c3ccc([O-])c(F)c3)n2)CC1 ZINC001240782767 821320837 /nfs/dbraw/zinc/32/08/37/821320837.db2.gz IMCIDOHOFOVQNN-UHFFFAOYSA-N -1 1 287.338 3.225 20 0 CGADMM COc1c(C)nc(C2CC2)nc1-c1ccc([O-])c(F)c1 ZINC001240786454 821326421 /nfs/dbraw/zinc/32/64/21/821326421.db2.gz UABFOKDWBNMVBP-UHFFFAOYSA-N -1 1 274.295 3.183 20 0 CGADMM O=C([O-])c1ccc(-c2cc3nc[nH]c3cc2F)s1 ZINC001240848518 821370208 /nfs/dbraw/zinc/37/02/08/821370208.db2.gz DSQJCQMZHMGEHT-UHFFFAOYSA-N -1 1 262.265 3.129 20 0 CGADMM CN1CCN(c2ccc(-c3ccc([S-])cc3)cc2)CC1 ZINC001240851849 821371630 /nfs/dbraw/zinc/37/16/30/821371630.db2.gz AJWHTNGGJLUUBX-UHFFFAOYSA-N -1 1 284.428 3.394 20 0 CGADMM CN(C)Cc1cccc(-c2ccc(CC(=O)[O-])cc2)c1F ZINC001240978579 821460806 /nfs/dbraw/zinc/46/08/06/821460806.db2.gz XAHUPRWIIOQINM-UHFFFAOYSA-N -1 1 287.334 3.181 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1-c1cc2nc[nH]c2cc1F ZINC001241003507 821481772 /nfs/dbraw/zinc/48/17/72/821481772.db2.gz QQOIEKGZDUQERL-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM COc1cnc(-c2c(F)cc([O-])cc2F)c(C)c1 ZINC001241118093 821572650 /nfs/dbraw/zinc/57/26/50/821572650.db2.gz HBELLSQUYKABOO-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM [O-]c1cc(F)c(-c2ncnc3c(F)cccc32)c(F)c1 ZINC001241117707 821573585 /nfs/dbraw/zinc/57/35/85/821573585.db2.gz WHVXULKYQXUWBL-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM [O-]c1cc(F)c(-c2cncc(N3CCCCC3)n2)c(F)c1 ZINC001241119229 821574321 /nfs/dbraw/zinc/57/43/21/821574321.db2.gz ZRITWGVLKKISSX-UHFFFAOYSA-N -1 1 291.301 3.118 20 0 CGADMM Cc1cc(-c2c(F)cc([O-])cc2F)c2nccn2c1 ZINC001241120657 821575666 /nfs/dbraw/zinc/57/56/66/821575666.db2.gz FFMDHIRACBIHCU-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM COc1cc(-c2c(F)cc([O-])cc2F)cc(OC)c1OC ZINC001241120858 821577175 /nfs/dbraw/zinc/57/71/75/821577175.db2.gz OXAZSWDYJOJEFH-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)OCCCO3)c(F)c1 ZINC001241120816 821577733 /nfs/dbraw/zinc/57/77/33/821577733.db2.gz MPLMZUIHGQBHRU-UHFFFAOYSA-N -1 1 278.254 3.499 20 0 CGADMM Cn1ccc2c1nccc2-c1c(F)cc([O-])cc1F ZINC001241121652 821579067 /nfs/dbraw/zinc/57/90/67/821579067.db2.gz QAXAPZQVTCINLM-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM [O-]c1cc(F)c(-c2cnc(OC3CCC3)nc2)c(F)c1 ZINC001241121918 821579232 /nfs/dbraw/zinc/57/92/32/821579232.db2.gz SOYKDYKSISDWDF-UHFFFAOYSA-N -1 1 278.258 3.059 20 0 CGADMM COc1cc(C)c(-c2c(F)cc([O-])cc2F)cn1 ZINC001241122395 821579238 /nfs/dbraw/zinc/57/92/38/821579238.db2.gz NVESBYCIIYWLBJ-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COC(=O)c1cc(F)cc(-c2c(F)cc([O-])cc2F)c1 ZINC001241123246 821580439 /nfs/dbraw/zinc/58/04/39/821580439.db2.gz XLFDSEROGQLEAC-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COc1cc(C(F)(F)F)nc(-c2cc([O-])cc(F)c2)n1 ZINC001241266420 821685720 /nfs/dbraw/zinc/68/57/20/821685720.db2.gz KFHBSQPZTHCJDF-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM [O-]c1ccc(F)c(-c2ccnc(N3CCCCC3)n2)c1F ZINC001241289570 821706146 /nfs/dbraw/zinc/70/61/46/821706146.db2.gz AUGHJUPVWYQWHJ-UHFFFAOYSA-N -1 1 291.301 3.118 20 0 CGADMM Cn1ccc2ccnc(-c3c(F)ccc([O-])c3F)c21 ZINC001241290616 821706528 /nfs/dbraw/zinc/70/65/28/821706528.db2.gz BUOBQPUXNYIRMQ-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM Cc1nc(-c2cccnc2)cc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290365 821706900 /nfs/dbraw/zinc/70/69/00/821706900.db2.gz QWBSRUCKSWJFNV-UHFFFAOYSA-N -1 1 299.280 3.498 20 0 CGADMM Cc1nc(-c2ccncc2)cc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290322 821707126 /nfs/dbraw/zinc/70/71/26/821707126.db2.gz PNFXUNXPCRBRGO-UHFFFAOYSA-N -1 1 299.280 3.498 20 0 CGADMM Cc1cnc(-c2c(F)ccc([O-])c2F)nc1NC(C)C ZINC001241289648 821707163 /nfs/dbraw/zinc/70/71/63/821707163.db2.gz COXUQCRFEPIYID-UHFFFAOYSA-N -1 1 279.290 3.256 20 0 CGADMM Cc1cc(-c2cc(F)cc(C(=O)[O-])c2)cc2nc[nH]c21 ZINC001241827201 822166028 /nfs/dbraw/zinc/16/60/28/822166028.db2.gz CAYCPRPFOXVSLZ-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM Fc1ccc(-c2ccc(-c3nnn[n-]3)nc2)c2ccccc12 ZINC001241901441 822203009 /nfs/dbraw/zinc/20/30/09/822203009.db2.gz FAYCMLTXCMFVSM-UHFFFAOYSA-N -1 1 291.289 3.221 20 0 CGADMM Fc1ccc(-c2ccc(-c3nn[n-]n3)nc2)c2ccccc12 ZINC001241901441 822203012 /nfs/dbraw/zinc/20/30/12/822203012.db2.gz FAYCMLTXCMFVSM-UHFFFAOYSA-N -1 1 291.289 3.221 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(O)c(C)c3)ccc2[n-]1 ZINC001242114273 822881918 /nfs/dbraw/zinc/88/19/18/822881918.db2.gz VABRAPMMRVBFIT-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(O)c(C)c3)cc2[n-]1 ZINC001242114273 822881923 /nfs/dbraw/zinc/88/19/23/822881923.db2.gz VABRAPMMRVBFIT-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM CC(=O)Nc1cccc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151051 822895387 /nfs/dbraw/zinc/89/53/87/822895387.db2.gz FDZQPVBOGNOHDE-UHFFFAOYSA-N -1 1 296.248 3.431 20 0 CGADMM COC(=O)c1c(C)cc(F)cc1-c1ccc(F)cc1[O-] ZINC001242218416 822915097 /nfs/dbraw/zinc/91/50/97/822915097.db2.gz DDPHGOMHUAPSIE-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM O=c1c(-c2ccc(F)cc2[O-])cccn1-c1ccccc1 ZINC001242219534 822916122 /nfs/dbraw/zinc/91/61/22/822916122.db2.gz JXIRUHHPANPCQD-UHFFFAOYSA-N -1 1 281.286 3.349 20 0 CGADMM COC(=O)c1c(F)c(C)ccc1-c1ccc(F)cc1[O-] ZINC001242220031 822916309 /nfs/dbraw/zinc/91/63/09/822916309.db2.gz ZNDWVWQQUMPORD-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM Cc1cccc(-c2ncc(C)c(N3CCCC3)n2)c1[O-] ZINC001242343496 822957522 /nfs/dbraw/zinc/95/75/22/822957522.db2.gz VKRINUUOMGSDEF-UHFFFAOYSA-N -1 1 269.348 3.066 20 0 CGADMM COC(=O)c1cccc(C)c1-c1cccc(F)c1[O-] ZINC001242351086 822961219 /nfs/dbraw/zinc/96/12/19/822961219.db2.gz DFOTYPGLSKPQBC-UHFFFAOYSA-N -1 1 260.264 3.293 20 0 CGADMM COc1ncc(-c2cccc(Cl)c2[O-])cc1F ZINC001242365171 822968060 /nfs/dbraw/zinc/96/80/60/822968060.db2.gz YZAKZUDJWISBEI-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM O=c1ccc(-c2cccc(Cl)c2[O-])cn1C(F)F ZINC001242364296 822968206 /nfs/dbraw/zinc/96/82/06/822968206.db2.gz GOSYDFWGBUTTPW-UHFFFAOYSA-N -1 1 271.650 3.269 20 0 CGADMM CN1CCc2ccc(-c3cccc(Cl)c3[O-])cc2C1=O ZINC001242367436 822969352 /nfs/dbraw/zinc/96/93/52/822969352.db2.gz MNCZZBVUZWPXSD-UHFFFAOYSA-N -1 1 287.746 3.341 20 0 CGADMM [O-]c1c(Cl)cccc1-c1cc(F)cc(-c2nn[nH]n2)c1 ZINC001242367795 822969552 /nfs/dbraw/zinc/96/95/52/822969552.db2.gz SSYRAGYCSJQPSQ-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM CN1C(=O)Cc2ccc(-c3cccc(Cl)c3[O-])cc21 ZINC001242367100 822969723 /nfs/dbraw/zinc/96/97/23/822969723.db2.gz GYFRQSUPLCKQNU-UHFFFAOYSA-N -1 1 273.719 3.232 20 0 CGADMM CC[C@H](C)n1nccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001347053067 936868425 /nfs/dbraw/zinc/86/84/25/936868425.db2.gz NAQHVYVPTOFMBS-VIFPVBQESA-N -1 1 293.754 3.465 20 0 CGADMM CCc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1F ZINC001348815110 936934932 /nfs/dbraw/zinc/93/49/32/936934932.db2.gz PBQKVNDIPNAODV-NSHDSACASA-N -1 1 254.692 3.099 20 0 CGADMM CC(C)OC1(CNc2cc(Cl)[n-]c(=O)n2)CCCCC1 ZINC001365223208 927578699 /nfs/dbraw/zinc/57/86/99/927578699.db2.gz DHZAZQCHQABOCG-UHFFFAOYSA-N -1 1 299.802 3.375 20 0 CGADMM CC(C)CC[C@H](C)NC(=O)c1cccc([O-])c1F ZINC001440889018 937334289 /nfs/dbraw/zinc/33/42/89/937334289.db2.gz DFJUIEVKFKDZLT-JTQLQIEISA-N -1 1 253.317 3.086 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)CCCC(C)C)c([O-])c1 ZINC001440948298 937335378 /nfs/dbraw/zinc/33/53/78/937335378.db2.gz QIAOBRZRILTPFW-LBPRGKRZSA-N -1 1 264.369 3.040 20 0 CGADMM Cc1ccc(N(C)C(=O)c2ccc(F)c([O-])c2)cc1C ZINC001442658529 937343317 /nfs/dbraw/zinc/34/33/17/937343317.db2.gz NLBOQHZKCFZSBV-UHFFFAOYSA-N -1 1 273.307 3.425 20 0 CGADMM CCC(CC)(CC)NC(=O)c1ccc(F)c([O-])c1 ZINC001444267970 937351615 /nfs/dbraw/zinc/35/16/15/937351615.db2.gz MRUBCCSBRBMRHB-UHFFFAOYSA-N -1 1 253.317 3.230 20 0 CGADMM CC(C)(C)[C@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001446720102 937363965 /nfs/dbraw/zinc/36/39/65/937363965.db2.gz ZVEYQGVOHQGUDW-LBPRGKRZSA-N -1 1 295.810 3.483 20 0 CGADMM C[C@@H](CCNC(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001448524881 937375315 /nfs/dbraw/zinc/37/53/15/937375315.db2.gz XGTLYMDFMSPMRY-LBPRGKRZSA-N -1 1 287.334 3.455 20 0 CGADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001449282389 937378790 /nfs/dbraw/zinc/37/87/90/937378790.db2.gz YREIDESKZVLCKQ-JYAVWHMHSA-N -1 1 298.386 3.495 20 0 CGADMM CCc1csc([C@H](C)NC(=O)c2ccc(F)c([O-])c2)n1 ZINC001452053563 937393485 /nfs/dbraw/zinc/39/34/85/937393485.db2.gz QTHCPUMTTUHISL-QMMMGPOBSA-N -1 1 294.351 3.041 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cc3cc[nH]c3cn2)c1 ZINC001452635599 937397387 /nfs/dbraw/zinc/39/73/87/937397387.db2.gz BALSVSUAAVQKIJ-UHFFFAOYSA-N -1 1 299.355 3.243 20 0 CGADMM C[C@@H](CC1CCC1)NC(=O)c1c([O-])cccc1Cl ZINC001454340717 937408461 /nfs/dbraw/zinc/40/84/61/937408461.db2.gz QGFXUXLYJXIXFI-VIFPVBQESA-N -1 1 267.756 3.354 20 0 CGADMM CN(Cc1ccc2cc[nH]c2c1)C(=O)c1ccc([O-])cc1F ZINC001455094230 937414444 /nfs/dbraw/zinc/41/44/44/937414444.db2.gz NCAZBAZHIRYHAJ-UHFFFAOYSA-N -1 1 298.317 3.285 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1Cc2ccc(Cl)cc21 ZINC001165758457 931995622 /nfs/dbraw/zinc/99/56/22/931995622.db2.gz ICMKNTYBSYRGJT-NSHDSACASA-N -1 1 291.709 3.463 20 0 CGADMM C[C@H](Cc1ccco1)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134688 932103557 /nfs/dbraw/zinc/10/35/57/932103557.db2.gz ILUFVJCZINABHL-SNVBAGLBSA-N -1 1 286.283 3.102 20 0 CGADMM CC(=O)[C@@H](C)Oc1cc([O-])ccc1C(=O)Cc1ccccc1 ZINC001229260311 932124831 /nfs/dbraw/zinc/12/48/31/932124831.db2.gz QIVCFPSAOSHVBR-CYBMUJFWSA-N -1 1 298.338 3.174 20 0 CGADMM [O-]c1cc(O[C@H]2CCn3ccnc32)c(Cl)cc1Cl ZINC001229412157 932147311 /nfs/dbraw/zinc/14/73/11/932147311.db2.gz ZJHRFEDNBSSBAI-JTQLQIEISA-N -1 1 285.130 3.419 20 0 CGADMM COc1c(O[C@H](C)c2ccc(C)cc2C)nc(C)[n-]c1=O ZINC001230020940 932524207 /nfs/dbraw/zinc/52/42/07/932524207.db2.gz KALNCEDXSXLAEV-LLVKDONJSA-N -1 1 288.347 3.256 20 0 CGADMM C[C@@H]1CCC[C@H]1CC(=O)NCCc1c(F)cc([O-])cc1F ZINC001304012296 932839296 /nfs/dbraw/zinc/83/92/96/932839296.db2.gz KOYCJDAOVIUAMM-MNOVXSKESA-N -1 1 297.345 3.155 20 0 CGADMM CC(C)C1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001465129149 937698025 /nfs/dbraw/zinc/69/80/25/937698025.db2.gz BNBQICMKYZYJDQ-UHFFFAOYSA-N -1 1 265.328 3.040 20 0 CGADMM CC1(C)CN(C(=O)c2ccc(F)c([O-])c2)Cc2ccccc21 ZINC001466663217 937710998 /nfs/dbraw/zinc/71/09/98/937710998.db2.gz VHNJKYMPPZAMLK-UHFFFAOYSA-N -1 1 299.345 3.465 20 0 CGADMM CCSCc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC001468138394 937725139 /nfs/dbraw/zinc/72/51/39/937725139.db2.gz RPWOSOPDJNWZSG-UHFFFAOYSA-N -1 1 288.372 3.293 20 0 CGADMM Cc1cc(Cl)c(NC(=O)c2ccc([O-])cn2)cc1C ZINC001468296290 937726435 /nfs/dbraw/zinc/72/64/35/937726435.db2.gz RVRWRUYQGQNIBB-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2cccc([O-])c2F)CC12CCC2 ZINC001468507962 937728717 /nfs/dbraw/zinc/72/87/17/937728717.db2.gz RNVQPDGQPABNJF-CQSZACIVSA-N -1 1 277.339 3.182 20 0 CGADMM C[C@@H]1CC/C(=C/C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001472042023 937772026 /nfs/dbraw/zinc/77/20/26/937772026.db2.gz YMPVNLKXFGJZJE-PAKSIRSJSA-N -1 1 295.329 3.076 20 0 CGADMM C[C@@H](C(=O)[N-]OC(C)(C)C)c1ccc(Cl)cc1 ZINC001327429446 935059479 /nfs/dbraw/zinc/05/94/79/935059479.db2.gz SWPDOIZXQJRLMO-SECBINFHSA-N -1 1 255.745 3.290 20 0 CGADMM Cc1cccc([C@H](C)C(=O)[N-]OCc2cccc(C)n2)c1 ZINC001331886957 935418431 /nfs/dbraw/zinc/41/84/31/935418431.db2.gz SAOGLOQKALRERT-AWEZNQCLSA-N -1 1 284.359 3.050 20 0 CGADMM CC(F)(F)C1(C(=O)Nc2cc(F)cc(F)c2[O-])CC1 ZINC001332166765 935445549 /nfs/dbraw/zinc/44/55/49/935445549.db2.gz WNJGDCVAAUZTPM-UHFFFAOYSA-N -1 1 277.217 3.044 20 0 CGADMM CC(C)(C)[C@H]1CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001336356297 936190237 /nfs/dbraw/zinc/19/02/37/936190237.db2.gz OTQHISWXIBMMKX-CYBMUJFWSA-N -1 1 281.783 3.235 20 0 CGADMM Cc1cccc(CO[N-]C(=O)C23CCC(CC2)C3(C)C)n1 ZINC001528611718 938068555 /nfs/dbraw/zinc/06/85/55/938068555.db2.gz ZMUJWYWBJLETNZ-UHFFFAOYSA-N -1 1 288.391 3.154 20 0 CGADMM CCOc1nc(C(=O)[N-]c2c(F)cccc2Cl)co1 ZINC001528654128 938068739 /nfs/dbraw/zinc/06/87/39/938068739.db2.gz LAYZNJATTABILP-UHFFFAOYSA-N -1 1 284.674 3.118 20 0 CGADMM CC(C)(C)CC(C)(C)NC(=O)c1cccc([O-])c1F ZINC001540624767 938132629 /nfs/dbraw/zinc/13/26/29/938132629.db2.gz ROTSQCYXFGNGKG-UHFFFAOYSA-N -1 1 267.344 3.476 20 0 CGADMM O=C(C=Cc1ccco1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001540813153 938134039 /nfs/dbraw/zinc/13/40/39/938134039.db2.gz IKRFESHBMGIMFL-BQYQJAHWSA-N -1 1 295.298 3.027 20 0 CGADMM C[C@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC001542300486 938135682 /nfs/dbraw/zinc/13/56/82/938135682.db2.gz CKXVRVNTAUMNAB-MRVPVSSYSA-N -1 1 287.281 3.187 20 0 CGADMM Cc1cc(F)c(C(=O)[N-]c2c(F)ccnc2F)c(F)c1 ZINC001544858254 938147429 /nfs/dbraw/zinc/14/74/29/938147429.db2.gz LEJGHRCKKSQJBE-UHFFFAOYSA-N -1 1 284.212 3.199 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1C[C@H](C2CC2)C[C@H]1C1CC1 ZINC001551064451 938175854 /nfs/dbraw/zinc/17/58/54/938175854.db2.gz UYGYCQBIQWNMCC-WBMJQRKESA-N -1 1 289.350 3.182 20 0 CGADMM CNc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)cc1F ZINC001556592246 938204613 /nfs/dbraw/zinc/20/46/13/938204613.db2.gz DQKSZKURXJKJNB-UHFFFAOYSA-N -1 1 296.248 3.104 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccc2cc[nH]c2c1 ZINC001556920001 938206532 /nfs/dbraw/zinc/20/65/32/938206532.db2.gz YUIKTTDYAMDRHX-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM O=C(Cc1cc(F)ccc1F)Nc1cc(F)cc(F)c1[O-] ZINC001557086507 938207818 /nfs/dbraw/zinc/20/78/18/938207818.db2.gz UFQDDSPPVJQXNE-UHFFFAOYSA-N -1 1 299.223 3.130 20 0 CGADMM O=C(NCc1ccc2occc2c1)c1cc(F)ccc1[O-] ZINC001557409052 938209878 /nfs/dbraw/zinc/20/98/78/938209878.db2.gz KOFYZFNXBVRHNQ-UHFFFAOYSA-N -1 1 285.274 3.208 20 0 CGADMM COc1cccc(NC(=O)c2cc(F)ccc2[O-])c1C ZINC001557495499 938210304 /nfs/dbraw/zinc/21/03/04/938210304.db2.gz UTBUGVWZYMVOJB-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM [O-]c1ccc(CN2CCC[C@H](OC3CCC3)C2)c(F)c1F ZINC001560909493 938283239 /nfs/dbraw/zinc/28/32/39/938283239.db2.gz WSSCGEAOXZGKKO-ZDUSSCGKSA-N -1 1 297.345 3.204 20 0 CGADMM Cc1cccc([C@H](NCc2ccccc2F)C(=O)[O-])c1 ZINC000212106560 949535480 /nfs/dbraw/zinc/53/54/80/949535480.db2.gz YKLSKSUXBHWXOL-HNNXBMFYSA-N -1 1 273.307 3.050 20 0 CGADMM Cc1cccc2nc(-c3ccc(OCC(=O)[O-])cc3)[nH]c21 ZINC000013061213 956920173 /nfs/dbraw/zinc/92/01/73/956920173.db2.gz ZYEANVZIOXUMRT-UHFFFAOYSA-N -1 1 282.299 3.002 20 0 CGADMM CC(C)=CCNCc1ccc(C(=O)[O-])cc1Br ZINC000229185916 960062971 /nfs/dbraw/zinc/06/29/71/960062971.db2.gz LQGMJCIPSKJGEG-UHFFFAOYSA-N -1 1 298.180 3.203 20 0 CGADMM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001565786117 960823144 /nfs/dbraw/zinc/82/31/44/960823144.db2.gz VUUNMJOGPFITLB-QWRGUYRKSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)c([O-])c1 ZINC001567845044 961447464 /nfs/dbraw/zinc/44/74/64/961447464.db2.gz HXBGPWIFYXKABF-UONOGXRCSA-N -1 1 290.407 3.430 20 0 CGADMM C[C@H]1CCC[C@H]1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001568059488 961501541 /nfs/dbraw/zinc/50/15/41/961501541.db2.gz RKFSDHQDKNODKU-AAEUAGOBSA-N -1 1 299.370 3.417 20 0 CGADMM C[C@@H](CC1CCCCC1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001580241031 962704557 /nfs/dbraw/zinc/70/45/57/962704557.db2.gz RNSATKWCYJZZTL-NSHDSACASA-N -1 1 286.383 3.033 20 0 CGADMM C[C@@H](CC1CCCCC1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001580241031 962704567 /nfs/dbraw/zinc/70/45/67/962704567.db2.gz RNSATKWCYJZZTL-NSHDSACASA-N -1 1 286.383 3.033 20 0 CGADMM c1cc(-c2nnn[n-]2)oc1CSCC1CCCCC1 ZINC001582817075 962758723 /nfs/dbraw/zinc/75/87/23/962758723.db2.gz VBWNZXCTUODCCA-UHFFFAOYSA-N -1 1 278.381 3.273 20 0 CGADMM c1cc(-c2nn[n-]n2)oc1CSCC1CCCCC1 ZINC001582817075 962758732 /nfs/dbraw/zinc/75/87/32/962758732.db2.gz VBWNZXCTUODCCA-UHFFFAOYSA-N -1 1 278.381 3.273 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2c(O)cccc2F)c1 ZINC001583971308 962872285 /nfs/dbraw/zinc/87/22/85/962872285.db2.gz BMRARLBRUYYXTF-UHFFFAOYSA-N -1 1 293.319 3.211 20 0 CGADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)c([O-])c1 ZINC001586712007 963128670 /nfs/dbraw/zinc/12/86/70/963128670.db2.gz KYZBSNNVDBGGBW-GYSYKLTISA-N -1 1 277.339 3.325 20 0 CGADMM CSc1c(F)cccc1[N-]C(=O)c1conc1C ZINC001587163113 963174501 /nfs/dbraw/zinc/17/45/01/963174501.db2.gz ISGRFAPRBNYTII-UHFFFAOYSA-N -1 1 266.297 3.096 20 0 CGADMM C[C@@H](CN(Cc1ccsc1Cl)C1CC1)C(=O)[O-] ZINC001592609615 978555845 /nfs/dbraw/zinc/55/58/45/978555845.db2.gz FPXAXUJNWYKOPF-QMMMGPOBSA-N -1 1 273.785 3.087 20 0 CGADMM CC[C@@H](NCc1occc1C(=O)[O-])c1ccccc1OC ZINC001595305664 980449979 /nfs/dbraw/zinc/44/99/79/980449979.db2.gz LQCBJDVCHHJCEX-CYBMUJFWSA-N -1 1 289.331 3.227 20 0 CGADMM CCCC[C@@H](N[C@@H](CC)c1nc(C)cs1)C(=O)[O-] ZINC001595637939 981937628 /nfs/dbraw/zinc/93/76/28/981937628.db2.gz YYMAMYGEYNNGKJ-WDEREUQCSA-N -1 1 270.398 3.136 20 0 CGADMM Cc1[nH]c(CN2CC([C@H]3CCC[C@H](C)C3)C2)cc1C(=O)[O-] ZINC001599963156 985835432 /nfs/dbraw/zinc/83/54/32/985835432.db2.gz YGEOJGIBZDPDEW-AAEUAGOBSA-N -1 1 290.407 3.279 20 0 CGADMM C[C@H]1CN(CCC(C)(C)C(=O)[O-])C[C@@H](c2ccsc2)O1 ZINC001594529030 986107987 /nfs/dbraw/zinc/10/79/87/986107987.db2.gz UAFVCTMRPWQGPB-AAEUAGOBSA-N -1 1 297.420 3.011 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccc2ccccc2c1 ZINC001598524883 992706627 /nfs/dbraw/zinc/70/66/27/992706627.db2.gz YAPPKYLNOFRVFE-UHFFFAOYSA-N -1 1 294.354 3.498 20 0 CGADMM C[C@H](c1ccccc1)[C@H](C)N[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001593195731 994149500 /nfs/dbraw/zinc/14/95/00/994149500.db2.gz FBXFAPNAXHFUHW-SRVKXCTJSA-N -1 1 288.347 3.216 20 0 CGADMM C[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1ccsc1 ZINC001593295841 994691972 /nfs/dbraw/zinc/69/19/72/994691972.db2.gz HRDSYCVDPIMKSW-YEZKRMTDSA-N -1 1 277.345 3.290 20 0 CGADMM C[C@@H](N[C@@H]1CCCC[C@H]1F)c1ccccc1OCC(=O)[O-] ZINC001593354220 994988653 /nfs/dbraw/zinc/98/86/53/994988653.db2.gz LFSAMBGQPNCMKT-MRVWCRGKSA-N -1 1 295.354 3.081 20 0 CGADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC[C@]2(CC=CCC2)C1 ZINC001593729152 996291498 /nfs/dbraw/zinc/29/14/98/996291498.db2.gz JRNSOKSNUDYJPJ-BLLLJJGKSA-N -1 1 290.363 3.256 20 0 CGADMM CC(C)(C)CS(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC000621323273 349495466 /nfs/dbraw/zinc/49/54/66/349495466.db2.gz YFONCCQHLBTLID-LLVKDONJSA-N -1 1 297.411 3.166 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]1C1CCCC1 ZINC000651586981 398256259 /nfs/dbraw/zinc/25/62/59/398256259.db2.gz UTXQEAHASRVGMG-VXGBXAGGSA-N -1 1 263.312 3.296 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651586689 398256351 /nfs/dbraw/zinc/25/63/51/398256351.db2.gz JBWWOMJQTLNXQQ-JFGNBEQYSA-N -1 1 261.296 3.072 20 0 CGADMM CCN1CCc2ccc(NC(=O)c3ccccc3[O-])cc21 ZINC000590257449 346837692 /nfs/dbraw/zinc/83/76/92/346837692.db2.gz DVDUCUUUGIGELE-UHFFFAOYSA-N -1 1 282.343 3.027 20 0 CGADMM O=C(NCC[C@H]1CC1(F)F)c1cc2ccccc2cc1[O-] ZINC000622205393 349650282 /nfs/dbraw/zinc/65/02/82/349650282.db2.gz LANUXVULIBXGKQ-LBPRGKRZSA-N -1 1 291.297 3.321 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC(CC2CC2)C1 ZINC000622248144 349659877 /nfs/dbraw/zinc/65/98/77/349659877.db2.gz CYQROESENSVZEW-UHFFFAOYSA-N -1 1 299.292 3.283 20 0 CGADMM CC(C)C1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000622620465 349689530 /nfs/dbraw/zinc/68/95/30/349689530.db2.gz PWQNFJDFKYGBEG-UHFFFAOYSA-N -1 1 287.281 3.329 20 0 CGADMM CCc1ccnc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000436618279 529627906 /nfs/dbraw/zinc/62/79/06/529627906.db2.gz NBDJBSIVAPTJLV-UHFFFAOYSA-N -1 1 276.723 3.255 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1cccs1 ZINC000048970673 345069551 /nfs/dbraw/zinc/06/95/51/345069551.db2.gz RIBUWNXIRVIRTB-UHFFFAOYSA-N -1 1 279.361 3.370 20 0 CGADMM CC(C)(C)c1nc(CN2CCC[C@@](C)(C(=O)[O-])C2)cs1 ZINC000062876237 345240803 /nfs/dbraw/zinc/24/08/03/345240803.db2.gz VWXGREQJVGLYRT-OAHLLOKOSA-N -1 1 296.436 3.127 20 0 CGADMM CN(Cc1cccc(O)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000080380413 345673304 /nfs/dbraw/zinc/67/33/04/345673304.db2.gz MCXQJPPSOCIPMQ-UHFFFAOYSA-N -1 1 291.734 3.023 20 0 CGADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1c(Cl)cccc1Cl ZINC000092940099 345863667 /nfs/dbraw/zinc/86/36/67/345863667.db2.gz DTHAFXOFPGMTOV-BDAKNGLRSA-N -1 1 288.174 3.288 20 0 CGADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000162939791 232255519 /nfs/dbraw/zinc/25/55/19/232255519.db2.gz XIEKLIWJCHJLBZ-BDAKNGLRSA-N -1 1 298.180 3.025 20 0 CGADMM Cc1ccc([O-])c(-c2nc3ccccc3c(N(C)C)n2)c1 ZINC000114881657 345967587 /nfs/dbraw/zinc/96/75/87/345967587.db2.gz VYHKNUOHLHFSNY-UHFFFAOYSA-N -1 1 279.343 3.377 20 0 CGADMM Cc1[nH]nc(NC(=O)c2ccc3ccccc3c2[O-])c1C ZINC000135646484 346088457 /nfs/dbraw/zinc/08/84/57/346088457.db2.gz VQTYFYVWHAEWPR-UHFFFAOYSA-N -1 1 281.315 3.138 20 0 CGADMM Cc1ncc(-c2ccc(NC(=O)c3cncc([O-])c3)cc2)o1 ZINC000171862371 346212043 /nfs/dbraw/zinc/21/20/43/346212043.db2.gz YLXJQHVUNHPIOF-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM CC(C)[C@@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000232792285 346327951 /nfs/dbraw/zinc/32/79/51/346327951.db2.gz VAAXYTLUSVNPCO-MEDUHNTESA-N -1 1 297.345 3.459 20 0 CGADMM O=C([O-])[C@H]1CC12CCN(Cc1cccc(Cl)c1F)CC2 ZINC000405367226 346603610 /nfs/dbraw/zinc/60/36/10/346603610.db2.gz LBZLHWZKWYMBBC-LLVKDONJSA-N -1 1 297.757 3.166 20 0 CGADMM COc1ncc(C)cc1NCc1cccc([O-])c1Cl ZINC000339322254 215095994 /nfs/dbraw/zinc/09/59/94/215095994.db2.gz VMZQBMPBHUDOGC-UHFFFAOYSA-N -1 1 278.739 3.370 20 0 CGADMM CC[C@H](C)CN(CC)C(=O)c1cc(F)ccc1[O-] ZINC000128686926 187384515 /nfs/dbraw/zinc/38/45/15/187384515.db2.gz KNSPUXLSRWQQDU-JTQLQIEISA-N -1 1 253.317 3.040 20 0 CGADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)sc1C ZINC000608367007 348301629 /nfs/dbraw/zinc/30/16/29/348301629.db2.gz GIAFOCDOYNKMGP-UHFFFAOYSA-N -1 1 265.309 3.462 20 0 CGADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000611705313 348468954 /nfs/dbraw/zinc/46/89/54/348468954.db2.gz MGDFLOXJCMDUEO-VXGBXAGGSA-N -1 1 284.359 3.201 20 0 CGADMM CCc1c(C)[n-]n(-c2cccc(Cl)c2C)c1=O ZINC000614189491 348657547 /nfs/dbraw/zinc/65/75/47/348657547.db2.gz MPXNHSHVKCEMTR-SNVBAGLBSA-N -1 1 250.729 3.397 20 0 CGADMM CC(C)CSCCCNC(=O)c1ccc([O-])c(F)c1 ZINC000613517424 348614427 /nfs/dbraw/zinc/61/44/27/348614427.db2.gz VJWMHHPTLLUEGS-UHFFFAOYSA-N -1 1 285.384 3.040 20 0 CGADMM C[C@@H]1[C@H](C)CN(C(=O)c2ncc3ccccc3c2[O-])[C@H]1C ZINC000616345483 348812702 /nfs/dbraw/zinc/81/27/02/348812702.db2.gz TXHAXQGIIYTLKD-UTUOFQBUSA-N -1 1 284.359 3.057 20 0 CGADMM CCC(C)(C)[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000617570624 348973260 /nfs/dbraw/zinc/97/32/60/348973260.db2.gz VVIOQDMLUYJTGK-SECBINFHSA-N -1 1 253.317 3.086 20 0 CGADMM O=C(NC1CCC2(CC2(F)F)CC1)c1c([O-])cccc1F ZINC000619231109 349224888 /nfs/dbraw/zinc/22/48/88/349224888.db2.gz WVRKIXNBSBKIOO-UHFFFAOYSA-N -1 1 299.292 3.229 20 0 CGADMM C[C@@H](Cc1nc(-c2ccc([O-])cc2F)no1)C(F)(F)F ZINC000624576693 350066449 /nfs/dbraw/zinc/06/64/49/350066449.db2.gz NVVVOQZHVMUCTO-LURJTMIESA-N -1 1 290.216 3.322 20 0 CGADMM CCC(F)(F)C(C)(C)CNC(=O)c1ccc([O-])cc1F ZINC000628882010 350617535 /nfs/dbraw/zinc/61/75/35/350617535.db2.gz YAWBFVXOGIYJFR-UHFFFAOYSA-N -1 1 289.297 3.333 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1C[C@@H]1C1CCCC1 ZINC000628960386 350626351 /nfs/dbraw/zinc/62/63/51/350626351.db2.gz OUAOHZIECYNCDM-MNOVXSKESA-N -1 1 263.312 3.296 20 0 CGADMM O=C(CNC(=O)c1ccc2ccccc2c1[O-])C1CCCC1 ZINC000628997291 350633004 /nfs/dbraw/zinc/63/30/04/350633004.db2.gz XQFYUTREYPYZMM-UHFFFAOYSA-N -1 1 297.354 3.035 20 0 CGADMM Cc1cnccc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000629183366 350665042 /nfs/dbraw/zinc/66/50/42/350665042.db2.gz KMODFZZMHYJJNG-UHFFFAOYSA-N -1 1 283.303 3.116 20 0 CGADMM O=c1c2c([n-]n1Cc1cccc3cccnc31)CCCC2 ZINC000629942702 350787692 /nfs/dbraw/zinc/78/76/92/350787692.db2.gz PGJUHGVQGHTOBR-CQSZACIVSA-N -1 1 279.343 3.123 20 0 CGADMM C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630435334 350840074 /nfs/dbraw/zinc/84/00/74/350840074.db2.gz LFIPRJSOELSIPQ-GXFFZTMASA-N -1 1 281.783 3.283 20 0 CGADMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)C(C1CC1)C1CC1 ZINC000630861819 350900564 /nfs/dbraw/zinc/90/05/64/350900564.db2.gz XPLLUQYCDMKUEB-UHFFFAOYSA-N -1 1 293.794 3.235 20 0 CGADMM Cc1nc(S[C@@H]2CCO[C@H](C)C2)[n-]c(=O)c1C1CC1 ZINC000631023343 350927008 /nfs/dbraw/zinc/92/70/08/350927008.db2.gz NBLQLJHFAWZIFA-LDYMZIIASA-N -1 1 280.393 3.028 20 0 CGADMM Cc1nc(SCc2nccs2)[n-]c(=O)c1C1CC1 ZINC000631023587 350927751 /nfs/dbraw/zinc/92/77/51/350927751.db2.gz BGWDEROKAOKETB-UHFFFAOYSA-N -1 1 279.390 3.117 20 0 CGADMM Cc1nc(SCc2ccccn2)[n-]c(=O)c1C1CC1 ZINC000631024359 350927769 /nfs/dbraw/zinc/92/77/69/350927769.db2.gz RKJOBYPMABONHS-UHFFFAOYSA-N -1 1 273.361 3.055 20 0 CGADMM [O-]c1cccc(CNc2cnn3c2CCCC3)c1Cl ZINC000631230830 351000541 /nfs/dbraw/zinc/00/05/41/351000541.db2.gz YTWUDVDKXXGEPD-UHFFFAOYSA-N -1 1 277.755 3.191 20 0 CGADMM O=S(=O)([N-]CC1CCCCC1)c1ccc(C(F)F)o1 ZINC000631639074 351101881 /nfs/dbraw/zinc/10/18/81/351101881.db2.gz UVSWKQWSXJMAQN-UHFFFAOYSA-N -1 1 293.335 3.076 20 0 CGADMM CC[C@]1(C)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000631775932 351140282 /nfs/dbraw/zinc/14/02/82/351140282.db2.gz JXLKVDDFSIWFPY-OAHLLOKOSA-N -1 1 281.783 3.237 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCCC1CCC1 ZINC000633630652 351335597 /nfs/dbraw/zinc/33/55/97/351335597.db2.gz BKWHAAYWMFWXCM-UHFFFAOYSA-N -1 1 281.783 3.285 20 0 CGADMM CC[C@](C)(NC(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000633635347 351337267 /nfs/dbraw/zinc/33/72/67/351337267.db2.gz IOCDHAJDVOZIDD-HNNXBMFYSA-N -1 1 281.783 3.283 20 0 CGADMM CSc1ccc(-n2[n-]c(C)c(C3CC3)c2=O)cc1 ZINC000634594543 351531115 /nfs/dbraw/zinc/53/11/15/351531115.db2.gz ZFJBYMUDCXVYIQ-CYBMUJFWSA-N -1 1 260.362 3.157 20 0 CGADMM CCc1c(=O)n(-c2cc(C)ccn2)[n-]c1-c1cccc(C)c1 ZINC000634600382 351535213 /nfs/dbraw/zinc/53/52/13/351535213.db2.gz FCLVQARQHQYSDX-HNNXBMFYSA-N -1 1 293.370 3.476 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3ccc(F)cc3F)c(=O)c2C1 ZINC000634601722 351536638 /nfs/dbraw/zinc/53/66/38/351536638.db2.gz UYXZDVOAJIBENJ-BXKDBHETSA-N -1 1 278.302 3.099 20 0 CGADMM COc1ccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)cc1Cl ZINC000634614973 351543966 /nfs/dbraw/zinc/54/39/66/351543966.db2.gz UEGFSSNSOBLETR-AMIZOPFISA-N -1 1 278.739 3.097 20 0 CGADMM CCCc1cc(=O)n(-c2cccc3cnccc32)[n-]1 ZINC000634622921 351548322 /nfs/dbraw/zinc/54/83/22/351548322.db2.gz SJEONWKVRLEJGI-UHFFFAOYSA-N -1 1 253.305 3.128 20 0 CGADMM CCCCc1[nH]n(-c2ccc(C(=O)[O-])c(F)c2)c(=O)c1C ZINC000634630766 351553251 /nfs/dbraw/zinc/55/32/51/351553251.db2.gz DGQVPGSOARCPMI-VIFPVBQESA-N -1 1 292.310 3.053 20 0 CGADMM CCc1c(C)[n-]n([C@@H]2CCc3c2cccc3F)c1=O ZINC000634632595 351554316 /nfs/dbraw/zinc/55/43/16/351554316.db2.gz VFHPDZSUMNCJHO-IINYFYTJSA-N -1 1 260.312 3.057 20 0 CGADMM CCC(CC)(CNC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000339897379 215386024 /nfs/dbraw/zinc/38/60/24/215386024.db2.gz RBKHSIUJZDOOIH-UHFFFAOYSA-N -1 1 298.386 3.275 20 0 CGADMM O=C([N-]c1c(F)cc(F)cc1F)c1ocnc1C1CC1 ZINC000336427856 213288124 /nfs/dbraw/zinc/28/81/24/213288124.db2.gz IJLSMRPSWQREMO-UHFFFAOYSA-N -1 1 282.221 3.222 20 0 CGADMM C[C@@H]1C[C@H](CNC(=O)c2ccc3ccccc3c2[O-])[C@H](C)O1 ZINC000412638925 235196195 /nfs/dbraw/zinc/19/61/95/235196195.db2.gz JLNKARZQMNZOKA-MBNYWOFBSA-N -1 1 299.370 3.089 20 0 CGADMM C[C@H]1CC(C)(C)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000412764342 235211276 /nfs/dbraw/zinc/21/12/76/235211276.db2.gz LPZMOUAPKUKPBU-VIFPVBQESA-N -1 1 267.756 3.306 20 0 CGADMM Cc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1F ZINC000340327716 215542244 /nfs/dbraw/zinc/54/22/44/215542244.db2.gz KPJLXGXLKWXWJL-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@H]1CC[C@]2(CCN(C(=O)c3ccc([O-])cc3F)C2)C1 ZINC000121406672 138367692 /nfs/dbraw/zinc/36/76/92/138367692.db2.gz KAHFHVPQVSYXCF-ZBEGNZNMSA-N -1 1 277.339 3.184 20 0 CGADMM O=C(Nc1cccc(F)c1)c1c(F)ccc([O-])c1F ZINC000336269952 213108500 /nfs/dbraw/zinc/10/85/00/213108500.db2.gz NOBMMGIIIHFLAP-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2ncccc2[O-])c1 ZINC000426449363 236295373 /nfs/dbraw/zinc/29/53/73/236295373.db2.gz UAZGKERRPCCQCD-ZDUSSCGKSA-N -1 1 284.359 3.237 20 0 CGADMM Cc1ccc(F)c(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426815083 236316169 /nfs/dbraw/zinc/31/61/69/236316169.db2.gz CSYBYYABYOOFNP-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM COC[C@@H](C)[C@@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436654657 237152737 /nfs/dbraw/zinc/15/27/37/237152737.db2.gz DITKOCIHLCLXNK-RKDXNWHRSA-N -1 1 296.754 3.482 20 0 CGADMM CN(C(=O)c1ccc(Br)cc1[O-])[C@@H]1CC1(C)C ZINC000436816924 237186048 /nfs/dbraw/zinc/18/60/48/237186048.db2.gz UUFMBUHSYGWGTD-LLVKDONJSA-N -1 1 298.180 3.025 20 0 CGADMM O=C(N[C@H]1CC[C@@H](F)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436744588 237172437 /nfs/dbraw/zinc/17/24/37/237172437.db2.gz NQURULMYXBNJES-BDAKNGLRSA-N -1 1 291.244 3.031 20 0 CGADMM CCN(CCCCC(=O)[O-])Cc1c(F)cccc1F ZINC000181553124 189300398 /nfs/dbraw/zinc/30/03/98/189300398.db2.gz FLDVEMNWDXRLKB-UHFFFAOYSA-N -1 1 271.307 3.042 20 0 CGADMM CCN(CC(F)F)C(=O)c1ccc2ccccc2c1[O-] ZINC000182514794 189326474 /nfs/dbraw/zinc/32/64/74/189326474.db2.gz OTEQBLLVDLWIAW-UHFFFAOYSA-N -1 1 279.286 3.273 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)C2CCC2)c1 ZINC000182906170 189338769 /nfs/dbraw/zinc/33/87/69/189338769.db2.gz ZUPLMDYDSSZYQW-UHFFFAOYSA-N -1 1 284.153 3.202 20 0 CGADMM O=C(COCC1CCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000456004013 241342643 /nfs/dbraw/zinc/34/26/43/241342643.db2.gz WGWCASNLKVBVLF-UHFFFAOYSA-N -1 1 283.755 3.191 20 0 CGADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000485117316 243328571 /nfs/dbraw/zinc/32/85/71/243328571.db2.gz BJIYMAGXOOMRGN-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=C(NCCc1ccco1)c1ccc2ccccc2c1[O-] ZINC000017910238 368736282 /nfs/dbraw/zinc/73/62/82/368736282.db2.gz YPQBVZOVGPUFSS-UHFFFAOYSA-N -1 1 281.311 3.111 20 0 CGADMM CCCCN(CC)C(=O)c1ccc(Cl)cc1[O-] ZINC000019838889 368770465 /nfs/dbraw/zinc/77/04/65/368770465.db2.gz DAJFCOHPAZBZLB-UHFFFAOYSA-N -1 1 255.745 3.308 20 0 CGADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000031665276 368916121 /nfs/dbraw/zinc/91/61/21/368916121.db2.gz MAWLANKNVVKTKC-UHFFFAOYSA-N -1 1 281.764 3.449 20 0 CGADMM Cc1nc(CSc2nc(C)c(C)c(=O)[n-]2)sc1C ZINC000330678027 203108394 /nfs/dbraw/zinc/10/83/94/203108394.db2.gz LOMZSHUINKXGGZ-UHFFFAOYSA-N -1 1 281.406 3.165 20 0 CGADMM CCCCN(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000042240239 369207562 /nfs/dbraw/zinc/20/75/62/369207562.db2.gz QRLPSALGCGYIQG-UHFFFAOYSA-N -1 1 267.756 3.450 20 0 CGADMM COCC1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000069708374 369767915 /nfs/dbraw/zinc/76/79/15/369767915.db2.gz OHXFQHFCGSXIBW-UHFFFAOYSA-N -1 1 299.370 3.044 20 0 CGADMM COc1c(Cl)cccc1NC(=O)c1ccccc1[O-] ZINC000098106402 370264000 /nfs/dbraw/zinc/26/40/00/370264000.db2.gz LUWJCTCXNVQNQG-UHFFFAOYSA-N -1 1 277.707 3.307 20 0 CGADMM CC(C)COc1ccccc1NC(=O)c1cncc([O-])c1 ZINC000111775419 370406562 /nfs/dbraw/zinc/40/65/62/370406562.db2.gz YNSYPYASNSZURS-UHFFFAOYSA-N -1 1 286.331 3.074 20 0 CGADMM C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000118286277 370610664 /nfs/dbraw/zinc/61/06/64/370610664.db2.gz GUCUIESQJHTXEI-BDAKNGLRSA-N -1 1 285.796 3.012 20 0 CGADMM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ncccc1[O-] ZINC000131965051 371143347 /nfs/dbraw/zinc/14/33/47/371143347.db2.gz ZDNYUYGZTRYFFC-OAHLLOKOSA-N -1 1 298.386 3.271 20 0 CGADMM Cc1cccc(C2=CCN(C(=O)c3ncccc3[O-])CC2)c1 ZINC000133347809 371245644 /nfs/dbraw/zinc/24/56/44/371245644.db2.gz GJSQLNBMZDHIKO-UHFFFAOYSA-N -1 1 294.354 3.025 20 0 CGADMM O=S(=O)([N-]C[C@H]1CC=CCC1)c1cc2ccccc2o1 ZINC000134050145 371298521 /nfs/dbraw/zinc/29/85/21/371298521.db2.gz AMBBUZFYMKGKGU-LBPRGKRZSA-N -1 1 291.372 3.067 20 0 CGADMM COc1cc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000135223038 371403144 /nfs/dbraw/zinc/40/31/44/371403144.db2.gz MEJIPMFPGNNLES-ZJUUUORDSA-N -1 1 297.782 3.172 20 0 CGADMM CC1(C)C[C@H](NC(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000150930339 371550446 /nfs/dbraw/zinc/55/04/46/371550446.db2.gz XQSJXYRJYTYSKP-CQSZACIVSA-N -1 1 299.370 3.233 20 0 CGADMM CCNc1nc(C(=O)Nc2ccc(Cl)cc2[O-])cs1 ZINC000153512373 371775330 /nfs/dbraw/zinc/77/53/30/371775330.db2.gz VFSMUEXKYMJVKA-UHFFFAOYSA-N -1 1 297.767 3.186 20 0 CGADMM CCCc1nc(-c2nc3ccc(C)cc3c(=O)[n-]2)co1 ZINC000289895570 371848232 /nfs/dbraw/zinc/84/82/32/371848232.db2.gz JVNLBRVFJNNVFA-UHFFFAOYSA-N -1 1 269.304 3.251 20 0 CGADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc([O-])cc1F ZINC000154783922 371879074 /nfs/dbraw/zinc/87/90/74/371879074.db2.gz LFZFLENXPRQWFK-QMTHXVAHSA-N -1 1 265.328 3.182 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)[C@H](C)c1ccccc1 ZINC000154957375 371893517 /nfs/dbraw/zinc/89/35/17/371893517.db2.gz JRFTWVQADOIGJM-NWDGAFQWSA-N -1 1 287.334 3.453 20 0 CGADMM C[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1(C)C ZINC000290342316 371968322 /nfs/dbraw/zinc/96/83/22/371968322.db2.gz FLSPOMUYEBJGID-SECBINFHSA-N -1 1 283.318 3.179 20 0 CGADMM CSc1cccc(N(C)C(=O)c2ccc(O)cc2[O-])c1 ZINC000171048366 372704025 /nfs/dbraw/zinc/70/40/25/372704025.db2.gz IAYCDAMBOQOJOB-UHFFFAOYSA-N -1 1 289.356 3.096 20 0 CGADMM CCc1ccccc1CC(=O)Nc1ccc(F)cc1[O-] ZINC000443061486 373145482 /nfs/dbraw/zinc/14/54/82/373145482.db2.gz JJCUVLGPGOUTKH-UHFFFAOYSA-N -1 1 273.307 3.275 20 0 CGADMM CCOc1cc(C(=O)N[C@@H]2CC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000444463680 373191704 /nfs/dbraw/zinc/19/17/04/373191704.db2.gz HICGVRAEECBYCH-MWLCHTKSSA-N -1 1 297.782 3.363 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H]1C ZINC000180672513 374034925 /nfs/dbraw/zinc/03/49/25/374034925.db2.gz MNSJVHWJJDPIKF-RKDXNWHRSA-N -1 1 287.281 3.282 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2F)c(C)o1 ZINC000180743292 374040821 /nfs/dbraw/zinc/04/08/21/374040821.db2.gz RHYSOFXVXSXZGS-UHFFFAOYSA-N -1 1 283.324 3.145 20 0 CGADMM CO[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])[C@H](C)C1 ZINC000320061188 374348921 /nfs/dbraw/zinc/34/89/21/374348921.db2.gz VLHWAXLSEDQUCP-DOMZBBRYSA-N -1 1 299.370 3.185 20 0 CGADMM O=C([O-])C[C@H]1CCCCN1Cc1ccc(Cl)c(F)c1 ZINC000086775321 541940966 /nfs/dbraw/zinc/94/09/66/541940966.db2.gz KFUSIZLOECEAMA-LLVKDONJSA-N -1 1 285.746 3.308 20 0 CGADMM COc1cc(C(=O)NC[C@@H]2C[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000456330919 374516520 /nfs/dbraw/zinc/51/65/20/374516520.db2.gz NSWXMAWWJZTCHO-QWRGUYRKSA-N -1 1 297.782 3.076 20 0 CGADMM CC(C)(C)C[C@@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000331233210 374517045 /nfs/dbraw/zinc/51/70/45/374517045.db2.gz JZRYMBRYDFLERU-ZDUSSCGKSA-N -1 1 289.375 3.002 20 0 CGADMM O=C(Cc1cccc2cccnc21)Nc1c([O-])cccc1F ZINC000092551701 541976380 /nfs/dbraw/zinc/97/63/80/541976380.db2.gz OBNKPGKHJHTAMI-UHFFFAOYSA-N -1 1 296.301 3.261 20 0 CGADMM CCc1onc(C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000185402710 374656156 /nfs/dbraw/zinc/65/61/56/374656156.db2.gz NPULCQIIVOQQMN-UHFFFAOYSA-N -1 1 280.711 3.157 20 0 CGADMM CC(=O)c1cc(F)c([N-]C(=O)c2c(C)noc2C)c(F)c1 ZINC000334470081 374777953 /nfs/dbraw/zinc/77/79/53/374777953.db2.gz HRAMVTOXPGMGGY-UHFFFAOYSA-N -1 1 294.257 3.025 20 0 CGADMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463663073 374847472 /nfs/dbraw/zinc/84/74/72/374847472.db2.gz GLNUJSOYKBESRJ-IUCAKERBSA-N -1 1 293.791 3.192 20 0 CGADMM CCOc1cc(C(=O)N2CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000186841219 374927822 /nfs/dbraw/zinc/92/78/22/374927822.db2.gz LJKISUAKRRMUEP-VIFPVBQESA-N -1 1 283.755 3.069 20 0 CGADMM COc1ccc(C(=O)Nc2ccsc2Cl)c([O-])c1 ZINC000186971136 374947957 /nfs/dbraw/zinc/94/79/57/374947957.db2.gz QSDRMARYFSQAIZ-UHFFFAOYSA-N -1 1 283.736 3.368 20 0 CGADMM CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335018847 375074143 /nfs/dbraw/zinc/07/41/43/375074143.db2.gz SXQLIKFLEDUTCK-UHLUBPPHSA-N -1 1 255.264 3.045 20 0 CGADMM CSc1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000188234084 375182100 /nfs/dbraw/zinc/18/21/00/375182100.db2.gz IOGYYLWVGHYTKG-UHFFFAOYSA-N -1 1 279.386 3.209 20 0 CGADMM COc1cc(C(=O)N(C)C2CC(C)(C)C2)cc(Cl)c1[O-] ZINC000335136053 375162591 /nfs/dbraw/zinc/16/25/91/375162591.db2.gz WJXULXJAXDWIDH-UHFFFAOYSA-N -1 1 297.782 3.315 20 0 CGADMM C[C@@H]1CCN(Cc2cc(F)cc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000335444005 375297744 /nfs/dbraw/zinc/29/77/44/375297744.db2.gz OUKSENAJNUHRHR-RNCFNFMXSA-N -1 1 285.746 3.022 20 0 CGADMM CC[C@@]1(C)CN(C(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000189314141 375365671 /nfs/dbraw/zinc/36/56/71/375365671.db2.gz XIKURBNVEMGBCS-SFHVURJKSA-N -1 1 299.370 3.187 20 0 CGADMM CCOc1cc(C(=O)N2C[C@@H](C)C[C@H]2C)cc(Cl)c1[O-] ZINC000335815097 375452892 /nfs/dbraw/zinc/45/28/92/375452892.db2.gz TZZPIIFHTXZNDS-VHSXEESVSA-N -1 1 297.782 3.315 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])cc1F)c1cn[nH]c1C1CC1 ZINC000335966020 375578390 /nfs/dbraw/zinc/57/83/90/375578390.db2.gz FHUHZYGZIMBUGG-UHFFFAOYSA-N -1 1 295.701 3.038 20 0 CGADMM NC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000336043252 375643366 /nfs/dbraw/zinc/64/33/66/375643366.db2.gz UJAKPLNQGFQYTK-IUCAKERBSA-N -1 1 296.754 3.326 20 0 CGADMM CC(C)=C(F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000336179353 375751776 /nfs/dbraw/zinc/75/17/76/375751776.db2.gz AXFIJCBSOXUWCG-UHFFFAOYSA-N -1 1 252.220 3.302 20 0 CGADMM [O-]c1cccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1Cl ZINC000336613973 375876520 /nfs/dbraw/zinc/87/65/20/375876520.db2.gz NXHBGXXKNVRTAK-QWHCGFSZSA-N -1 1 281.783 3.047 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H](C)c2ccccc2F)n1 ZINC000193540153 375892615 /nfs/dbraw/zinc/89/26/15/375892615.db2.gz MVJSHYDJYHCHGF-QMMMGPOBSA-N -1 1 280.324 3.189 20 0 CGADMM CC1(C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000538527978 376246574 /nfs/dbraw/zinc/24/65/74/376246574.db2.gz KVQQGANVPXSQRI-UHFFFAOYSA-N -1 1 273.254 3.036 20 0 CGADMM O=c1[n-]c(-c2cnc3ccccc3c2)nc2ccc(O)cc21 ZINC000539805393 376331774 /nfs/dbraw/zinc/33/17/74/376331774.db2.gz UMAZFUOYFQWAPX-UHFFFAOYSA-N -1 1 289.294 3.256 20 0 CGADMM Cc1nc(SCc2nc(C3CC3)cs2)[n-]c(=O)c1C ZINC000541287995 376434591 /nfs/dbraw/zinc/43/45/91/376434591.db2.gz AAMDCHUXGPXAEG-UHFFFAOYSA-N -1 1 293.417 3.425 20 0 CGADMM Cc1ccccc1[C@@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000334296158 206325251 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CO[C@]1(C)CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000389507976 379900993 /nfs/dbraw/zinc/90/09/93/379900993.db2.gz DLLPXXKQIARKBJ-GOSISDBHSA-N -1 1 299.370 3.187 20 0 CGADMM CO[C@@H](C)c1nc(=NCC2CCCCCC2)s[n-]1 ZINC000389686498 379902328 /nfs/dbraw/zinc/90/23/28/379902328.db2.gz ZULYDPQIEAWZOE-JTQLQIEISA-N -1 1 269.414 3.050 20 0 CGADMM C/C=C/C[C@@H](NCc1cccc([O-])c1Cl)C(=O)OCC ZINC000353201074 380166167 /nfs/dbraw/zinc/16/61/67/380166167.db2.gz DZVIPJGSLUCVGA-OGOUPESXSA-N -1 1 297.782 3.033 20 0 CGADMM CO[C@H](CSc1nc(C2CC2)cc(=O)[n-]1)CC(C)C ZINC000416903795 380547339 /nfs/dbraw/zinc/54/73/39/380547339.db2.gz GPMOOQSGTQRCQI-NSHDSACASA-N -1 1 282.409 3.213 20 0 CGADMM Cc1cnc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000417559426 380638452 /nfs/dbraw/zinc/63/84/52/380638452.db2.gz IEYJCUSBOHLRCN-BXUZGUMPSA-N -1 1 290.388 3.003 20 0 CGADMM CCC(C)(C)C(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000357344364 381116178 /nfs/dbraw/zinc/11/61/78/381116178.db2.gz GUJXPKLIDVYQGD-UHFFFAOYSA-N -1 1 277.393 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CC(C)CCC[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681016740 543756834 /nfs/dbraw/zinc/75/68/34/543756834.db2.gz DWTMVTOFNPEUEO-LLVKDONJSA-N -1 1 267.344 3.476 20 0 CGADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@@H]1CCc2ccccc21 ZINC000681017155 543757587 /nfs/dbraw/zinc/75/75/87/543757587.db2.gz WFZLDUWOYRYKCQ-OAHLLOKOSA-N -1 1 285.318 3.291 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H]1C1CCCC1 ZINC000681021812 543758403 /nfs/dbraw/zinc/75/84/03/543758403.db2.gz RKZBOZWSTVPZIJ-AWEZNQCLSA-N -1 1 277.339 3.326 20 0 CGADMM CC[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681049054 543760428 /nfs/dbraw/zinc/76/04/28/543760428.db2.gz LFCWJPSNMZCZAU-PWSUYJOCSA-N -1 1 265.328 3.230 20 0 CGADMM CC[C@](C)(NC(=O)c1ccc([O-])c(F)c1)c1nccs1 ZINC000681048647 543760438 /nfs/dbraw/zinc/76/04/38/543760438.db2.gz MSQYAQAFFQTWEY-AWEZNQCLSA-N -1 1 294.351 3.043 20 0 CGADMM CC[C@@]1(C)CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681049296 543760914 /nfs/dbraw/zinc/76/09/14/543760914.db2.gz HGCYZOVGWCULCI-HNNXBMFYSA-N -1 1 265.328 3.184 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCS[C@H]2CCCC[C@H]21 ZINC000681054645 543761446 /nfs/dbraw/zinc/76/14/46/543761446.db2.gz ZNVZZUOIVHFPIQ-OCCSQVGLSA-N -1 1 295.379 3.032 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000681054646 543761542 /nfs/dbraw/zinc/76/15/42/543761542.db2.gz ZNVZZUOIVHFPIQ-TZMCWYRMSA-N -1 1 295.379 3.032 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)Cc2ccccc21 ZINC000681058710 543762430 /nfs/dbraw/zinc/76/24/30/543762430.db2.gz CRTKPWCHRXDPQW-UHFFFAOYSA-N -1 1 299.345 3.465 20 0 CGADMM O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc([O-])c(F)c1 ZINC000681058513 543762524 /nfs/dbraw/zinc/76/25/24/543762524.db2.gz PTRIZXCHJPWSLT-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM C[C@H]1CCC[C@H]1CC(=O)Nc1c([O-])cccc1F ZINC000681121850 543769057 /nfs/dbraw/zinc/76/90/57/543769057.db2.gz QDCTVPIACRYHER-UWVGGRQHSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000682391212 543839495 /nfs/dbraw/zinc/83/94/95/543839495.db2.gz SGAYTFAMSIZWNH-ZYHUDNBSSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1cccc(F)c1F ZINC000131071638 287369882 /nfs/dbraw/zinc/36/98/82/287369882.db2.gz QAYRUGSMYRXBDK-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM Cc1cccc2c1CN(C(=O)c1ccc([O-])c(F)c1)CC2 ZINC000683257636 543906633 /nfs/dbraw/zinc/90/66/33/543906633.db2.gz FEVAUMVVLRYSLB-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2c([O-])cccc2F)C1 ZINC000684469512 544005680 /nfs/dbraw/zinc/00/56/80/544005680.db2.gz BEGIKDCQFIWINN-WDEREUQCSA-N -1 1 281.327 3.065 20 0 CGADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1F ZINC000149010283 287496756 /nfs/dbraw/zinc/49/67/56/287496756.db2.gz OBIBEKUSNLQROZ-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000652496796 418975730 /nfs/dbraw/zinc/97/57/30/418975730.db2.gz DSOGEOCEPPPVOQ-WOPDTQHZSA-N -1 1 294.395 3.076 20 0 CGADMM CC[C@@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)C1CC1 ZINC000664435952 418957812 /nfs/dbraw/zinc/95/78/12/418957812.db2.gz CODXNFIWNGNOEX-CQSZACIVSA-N -1 1 298.390 3.462 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@@H]1CCCOC1 ZINC000652506677 418977174 /nfs/dbraw/zinc/97/71/74/418977174.db2.gz FMOOIFLGHGAADB-CYBMUJFWSA-N -1 1 297.782 3.039 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1nc(C2CC2)oc1C ZINC000652878184 418998191 /nfs/dbraw/zinc/99/81/91/418998191.db2.gz VFRDEETXGNMNHI-UHFFFAOYSA-N -1 1 289.360 3.230 20 0 CGADMM CC(C)c1ccc([C@H](C)N(C)Cc2n[n-]c(=O)o2)cc1 ZINC000660845347 419204404 /nfs/dbraw/zinc/20/44/04/419204404.db2.gz PAJLSRXRRWLUHE-NSHDSACASA-N -1 1 275.352 3.092 20 0 CGADMM CO[C@H](CSc1nc(C(F)F)cc(=O)[n-]1)C1CCC1 ZINC000657260382 419238405 /nfs/dbraw/zinc/23/84/05/419238405.db2.gz YGBPZKPRLXDOPF-SECBINFHSA-N -1 1 290.335 3.027 20 0 CGADMM Cc1cnc(S[C@@H]2CCc3ccccc32)[n-]c1=O ZINC000657261879 419239138 /nfs/dbraw/zinc/23/91/38/419239138.db2.gz OHSYEXWJJULDSR-GFCCVEGCSA-N -1 1 258.346 3.270 20 0 CGADMM CCOc1ccccc1CSc1ncc(C)c(=O)[n-]1 ZINC000657261587 419239535 /nfs/dbraw/zinc/23/95/35/419239535.db2.gz GZYCXBVSVLMZRY-UHFFFAOYSA-N -1 1 276.361 3.182 20 0 CGADMM CCC[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000089944444 260306781 /nfs/dbraw/zinc/30/67/81/260306781.db2.gz RPCVMDGBJWITJB-AWEZNQCLSA-N -1 1 299.370 3.187 20 0 CGADMM CCOc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1C ZINC000525751797 262113919 /nfs/dbraw/zinc/11/39/19/262113919.db2.gz CYVUIKUKAGPQAL-UHFFFAOYSA-N -1 1 297.401 3.256 20 0 CGADMM Cc1cccc([N-]S(=O)(=O)c2c(C)cccc2F)c1F ZINC000187042396 270067549 /nfs/dbraw/zinc/06/75/49/270067549.db2.gz VNOXEBZEVRTXSA-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM C[C@H](CCc1ccccc1)NC(=O)c1c([O-])cccc1F ZINC000228832255 270088004 /nfs/dbraw/zinc/08/80/04/270088004.db2.gz TXWVNNCXMKUMRX-GFCCVEGCSA-N -1 1 287.334 3.282 20 0 CGADMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000525017781 270116731 /nfs/dbraw/zinc/11/67/31/270116731.db2.gz KMBGWEJXHWMDCM-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM CO[C@@H](C)c1nc(=NCC(C2CCC2)C2CCC2)s[n-]1 ZINC000528073498 270153538 /nfs/dbraw/zinc/15/35/38/270153538.db2.gz CYUSRUFDUXQGCT-JTQLQIEISA-N -1 1 295.452 3.296 20 0 CGADMM CC1(C)C[C@@H](C(=O)Nc2ccc(F)cc2[O-])C(C)(C)O1 ZINC000528905541 270175614 /nfs/dbraw/zinc/17/56/14/270175614.db2.gz VZHGKRLFWQAQPT-JTQLQIEISA-N -1 1 281.327 3.064 20 0 CGADMM CC(C)=CCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000397759078 288029493 /nfs/dbraw/zinc/02/94/93/288029493.db2.gz PLPHWKHUZMMNPM-UHFFFAOYSA-N -1 1 253.729 3.132 20 0 CGADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1csc(C2CC2)n1 ZINC000530175935 288293947 /nfs/dbraw/zinc/29/39/47/288293947.db2.gz RBINNIASIBGEOS-UWVGGRQHSA-N -1 1 294.420 3.094 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CC12CCCCC2 ZINC000532012974 288349873 /nfs/dbraw/zinc/34/98/73/288349873.db2.gz UMYDLGORMSAPGQ-LLVKDONJSA-N -1 1 263.312 3.440 20 0 CGADMM CC(C)=CCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000555396960 289343133 /nfs/dbraw/zinc/34/31/33/289343133.db2.gz VTDGUHBYWHVWGX-UHFFFAOYSA-N -1 1 279.361 3.067 20 0 CGADMM CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000037022724 328234930 /nfs/dbraw/zinc/23/49/30/328234930.db2.gz UKTBBHLOPDQTAX-LLVKDONJSA-N -1 1 267.756 3.450 20 0 CGADMM CCc1ccccc1CSc1ncc(C)c(=O)[n-]1 ZINC000565240704 322069287 /nfs/dbraw/zinc/06/92/87/322069287.db2.gz BMWWGBHMRBXRJM-UHFFFAOYSA-N -1 1 260.362 3.345 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@H]1C1CCC1 ZINC000566624400 322132035 /nfs/dbraw/zinc/13/20/35/322132035.db2.gz WCVYASIOWDLFLU-UONOGXRCSA-N -1 1 297.358 3.157 20 0 CGADMM CCCCc1nc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cs1 ZINC000570395217 322272463 /nfs/dbraw/zinc/27/24/63/322272463.db2.gz HHIXPBHPTWPFQN-NWDGAFQWSA-N -1 1 296.436 3.171 20 0 CGADMM C[C@H](c1ccc(F)cc1)N(C)Cc1occc1C(=O)[O-] ZINC000571291530 322295038 /nfs/dbraw/zinc/29/50/38/322295038.db2.gz OJRKQSUBSJEYCM-SNVBAGLBSA-N -1 1 277.295 3.310 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1nc(C(C)(C)C)cs1 ZINC000397098183 329327563 /nfs/dbraw/zinc/32/75/63/329327563.db2.gz NDUDAQHRSVYBBX-MNOVXSKESA-N -1 1 296.436 3.126 20 0 CGADMM [O-]c1ccc(-c2nc(C3CCSCC3)no2)c(F)c1 ZINC000350888482 335545286 /nfs/dbraw/zinc/54/52/86/335545286.db2.gz VIYBMNXPDUEFCL-UHFFFAOYSA-N -1 1 280.324 3.192 20 0 CGADMM CC(C)SCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000380587677 336001604 /nfs/dbraw/zinc/00/16/04/336001604.db2.gz KWHGVOSXBDUTIB-UHFFFAOYSA-N -1 1 289.400 3.417 20 0 CGADMM C[C@H]1SCCN(Cc2cccc(C(=O)[O-])c2Cl)[C@@H]1C ZINC000381586193 336068994 /nfs/dbraw/zinc/06/89/94/336068994.db2.gz CQPKEBGJRPRJPO-NXEZZACHSA-N -1 1 299.823 3.364 20 0 CGADMM CCC1(NC(=O)c2cc(Cl)ccc2[O-])CCCC1 ZINC000382593862 336094753 /nfs/dbraw/zinc/09/47/53/336094753.db2.gz FUKKCAWJSHWRFB-UHFFFAOYSA-N -1 1 267.756 3.498 20 0 CGADMM CCC1(NC(=O)c2ccc(Cl)cc2[O-])CCCC1 ZINC000382598729 336094980 /nfs/dbraw/zinc/09/49/80/336094980.db2.gz LVDBWAVKJATUIY-UHFFFAOYSA-N -1 1 267.756 3.498 20 0 CGADMM O=C([O-])c1coc(CN(Cc2ccccc2)C2CC2)c1 ZINC000383593672 336114834 /nfs/dbraw/zinc/11/48/34/336114834.db2.gz SCCMJBJCVNPZDS-UHFFFAOYSA-N -1 1 271.316 3.142 20 0 CGADMM CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000387183360 336187358 /nfs/dbraw/zinc/18/73/58/336187358.db2.gz XIVBOYRBRUIAMY-JSGCOSHPSA-N -1 1 299.370 3.185 20 0 CGADMM C[C@@H](CN(C)C(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000436947019 533725619 /nfs/dbraw/zinc/72/56/19/533725619.db2.gz QGTDJTJZMMWZSS-LBPRGKRZSA-N -1 1 287.334 3.407 20 0 CGADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(F)cc1F ZINC000436582268 533748675 /nfs/dbraw/zinc/74/86/75/533748675.db2.gz HTWSPHQVHRIGQY-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])cc2F)CC1 ZINC000189460398 533774466 /nfs/dbraw/zinc/77/44/66/533774466.db2.gz JODIIJQNKCJXKJ-GHMZBOCLSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])[C@H]1C ZINC000177080114 534005362 /nfs/dbraw/zinc/00/53/62/534005362.db2.gz ZGWOQKAEHCXYCP-BDAKNGLRSA-N -1 1 298.180 3.025 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)C[C@@H](C)CC(C)C)c1 ZINC000436508362 534231163 /nfs/dbraw/zinc/23/11/63/534231163.db2.gz ZGWSUBMTNHXPEW-NSHDSACASA-N -1 1 293.363 3.190 20 0 CGADMM O=C([O-])[C@@H](NCc1cccc2cc[nH]c21)c1cccs1 ZINC000426818857 534515310 /nfs/dbraw/zinc/51/53/10/534515310.db2.gz SSXFTPGUCKLBGP-AWEZNQCLSA-N -1 1 286.356 3.145 20 0 CGADMM O=C([O-])[C@@H](NCc1cc(F)cc(Cl)c1)c1ccsc1 ZINC000426832000 534516660 /nfs/dbraw/zinc/51/66/60/534516660.db2.gz HOUQXAHOLKSBGC-LBPRGKRZSA-N -1 1 299.754 3.456 20 0 CGADMM O=C([O-])[C@H](NCc1ccccc1F)c1cccc(Cl)c1 ZINC000426737815 534532183 /nfs/dbraw/zinc/53/21/83/534532183.db2.gz QLTGYDFGXRCRHD-CQSZACIVSA-N -1 1 293.725 3.395 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCCC12CCCCC2 ZINC000367453899 534668361 /nfs/dbraw/zinc/66/83/61/534668361.db2.gz IJLQAINEXOZLTM-UHFFFAOYSA-N -1 1 277.339 3.470 20 0 CGADMM Cc1cccc([C@H]2CCCN2C(=O)c2cncc([O-])c2)c1C ZINC000174531623 534764352 /nfs/dbraw/zinc/76/43/52/534764352.db2.gz NOBHDWGVKYLVQN-QGZVFWFLSA-N -1 1 296.370 3.381 20 0 CGADMM C[C@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)[O-] ZINC000049354516 525528317 /nfs/dbraw/zinc/52/83/17/525528317.db2.gz KXJFRDAXKPPBKP-WDSKDSINSA-N -1 1 280.126 3.256 20 0 CGADMM CC(C)C(CNC(=O)c1ccc([O-])cc1F)C(C)C ZINC000192633306 527585590 /nfs/dbraw/zinc/58/55/90/527585590.db2.gz GAVAAGHEUSQAJD-UHFFFAOYSA-N -1 1 267.344 3.189 20 0 CGADMM CC(C)c1ccccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436763100 528193732 /nfs/dbraw/zinc/19/37/32/528193732.db2.gz IVUGAXILOWSSNF-UHFFFAOYSA-N -1 1 283.327 3.337 20 0 CGADMM CCOc1cc(C(=O)N2CC[C@@H]2C(C)C)cc(Cl)c1[O-] ZINC000357997357 528217962 /nfs/dbraw/zinc/21/79/62/528217962.db2.gz ZVRQFBGCOZHBAZ-GFCCVEGCSA-N -1 1 297.782 3.315 20 0 CGADMM CCCOc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436996686 528702044 /nfs/dbraw/zinc/70/20/44/528702044.db2.gz UWRGQPUGRMNBDK-UHFFFAOYSA-N -1 1 299.326 3.002 20 0 CGADMM CCCc1nc(C)c(CSc2nc(CC)cc(=O)[n-]2)o1 ZINC000518310693 535512519 /nfs/dbraw/zinc/51/25/19/535512519.db2.gz ZMKFCDOUFDSLTI-UHFFFAOYSA-N -1 1 293.392 3.286 20 0 CGADMM Cc1ccccc1CN(Cc1cc(C(=O)[O-])co1)C1CC1 ZINC000738770340 572391082 /nfs/dbraw/zinc/39/10/82/572391082.db2.gz GZVZEJGFHSSDSH-UHFFFAOYSA-N -1 1 285.343 3.451 20 0 CGADMM O=C([O-])[C@H](NCc1ccc(F)cc1F)c1ccc(F)cc1 ZINC000739501243 572417659 /nfs/dbraw/zinc/41/76/59/572417659.db2.gz USVAXFGYMKUYKR-CQSZACIVSA-N -1 1 295.260 3.019 20 0 CGADMM CC(C)Cc1nnc([N-]C(=O)c2ncoc2C(C)C)s1 ZINC000731876018 572432526 /nfs/dbraw/zinc/43/25/26/572432526.db2.gz MBCLPXBYFIPYHQ-UHFFFAOYSA-N -1 1 294.380 3.100 20 0 CGADMM CC[C@@H](c1ccc(Cl)cc1)N1CC[C@H](NC(=O)[O-])C1 ZINC000739278899 572540455 /nfs/dbraw/zinc/54/04/55/572540455.db2.gz ONMAQEUGUDUDCZ-STQMWFEESA-N -1 1 282.771 3.133 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCCCCCCO)n1 ZINC000742447277 572584744 /nfs/dbraw/zinc/58/47/44/572584744.db2.gz DZZIQCWZZWGCEO-UHFFFAOYSA-N -1 1 284.425 3.170 20 0 CGADMM C[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)C(C)(C)C ZINC000736026185 572762215 /nfs/dbraw/zinc/76/22/15/572762215.db2.gz MHJREAOZIOWZGE-QMMMGPOBSA-N -1 1 294.790 3.009 20 0 CGADMM C[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)C(C)(C)C ZINC000736026185 572762219 /nfs/dbraw/zinc/76/22/19/572762219.db2.gz MHJREAOZIOWZGE-QMMMGPOBSA-N -1 1 294.790 3.009 20 0 CGADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000749616168 573024421 /nfs/dbraw/zinc/02/44/21/573024421.db2.gz AKNMWPSOTLIZGQ-MGPQQGTHSA-N -1 1 295.766 3.018 20 0 CGADMM CCc1ccc([C@H](C)NCc2ccc(C(=O)[O-])cc2)o1 ZINC000818335802 597246624 /nfs/dbraw/zinc/24/66/24/597246624.db2.gz LMLMGWUKJYUVAR-NSHDSACASA-N -1 1 273.332 3.391 20 0 CGADMM CCc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)o1 ZINC000818335798 597246637 /nfs/dbraw/zinc/24/66/37/597246637.db2.gz LMLMGWUKJYUVAR-LLVKDONJSA-N -1 1 273.332 3.391 20 0 CGADMM CCc1noc(C)c1[C@@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000818350397 597273956 /nfs/dbraw/zinc/27/39/56/597273956.db2.gz FQRFSSSERSJJNT-SNVBAGLBSA-N -1 1 288.347 3.094 20 0 CGADMM Cc1cccc(F)c1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000832969766 600756724 /nfs/dbraw/zinc/75/67/24/600756724.db2.gz OSFJMEVBDZFOEJ-OAHLLOKOSA-N -1 1 273.307 3.050 20 0 CGADMM CCCC[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000829295326 600833683 /nfs/dbraw/zinc/83/36/83/600833683.db2.gz BQMZSOISSCHIPW-NSHDSACASA-N -1 1 291.376 3.207 20 0 CGADMM C[C@H]1c2ccccc2CN1Cc1ccc(C(=O)[O-])cc1 ZINC000828528033 601117121 /nfs/dbraw/zinc/11/71/21/601117121.db2.gz QHYNJKNJFZJENT-LBPRGKRZSA-N -1 1 267.328 3.462 20 0 CGADMM O=C([O-])[C@]1(F)CCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000833175235 601446648 /nfs/dbraw/zinc/44/66/48/601446648.db2.gz OTBVQLMNOYQIRY-SFHVURJKSA-N -1 1 299.345 3.352 20 0 CGADMM CC(C)N(Cc1ccsc1C(=O)[O-])Cc1ccccn1 ZINC000826951519 601808512 /nfs/dbraw/zinc/80/85/12/601808512.db2.gz LJOBAAIMHPXUQJ-UHFFFAOYSA-N -1 1 290.388 3.252 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccc[nH]2)s1 ZINC000833313085 601944188 /nfs/dbraw/zinc/94/41/88/601944188.db2.gz OBUXCWQDIKRRAN-LBPRGKRZSA-N -1 1 276.361 3.112 20 0 CGADMM CC[C@](C)(NCc1ccc(C(=O)[O-])s1)c1nccs1 ZINC000828693289 601957359 /nfs/dbraw/zinc/95/73/59/601957359.db2.gz TZUZCKNBLAFARK-ZDUSSCGKSA-N -1 1 296.417 3.318 20 0 CGADMM 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Cc1oc(CN2CC(Cc3ccsc3)C2)cc1C(=O)[O-] ZINC000902463308 621336880 /nfs/dbraw/zinc/33/68/80/621336880.db2.gz OFNBRVXLCDLEFU-UHFFFAOYSA-N -1 1 291.372 3.022 20 0 CGADMM CC(C)(C)C(F)(F)CN[C@H]1CC[C@H](C(F)(F)C(=O)[O-])C1 ZINC000902469982 621340205 /nfs/dbraw/zinc/34/02/05/621340205.db2.gz DIHLWERBSQMGAH-IUCAKERBSA-N -1 1 299.308 3.146 20 0 CGADMM C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000902509943 621349869 /nfs/dbraw/zinc/34/98/69/621349869.db2.gz MFZYQBXQFNXTHA-JTQLQIEISA-N -1 1 285.334 3.459 20 0 CGADMM Cc1ccc(F)c(CN2CCC[C@H](CCC(=O)[O-])C2)c1F ZINC000903406019 621729907 /nfs/dbraw/zinc/72/99/07/621729907.db2.gz ZZXDGGGVKLQSKC-GFCCVEGCSA-N -1 1 297.345 3.350 20 0 CGADMM Cc1cc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)ccc1Cl ZINC000905027174 622032092 /nfs/dbraw/zinc/03/20/92/622032092.db2.gz XUMCDEWWGVNVLI-SDBXPKJASA-N -1 1 262.740 3.397 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000908713931 622369632 /nfs/dbraw/zinc/36/96/32/622369632.db2.gz 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626434319 /nfs/dbraw/zinc/43/43/19/626434319.db2.gz FZQGUIQZBMTQTB-UHFFFAOYSA-N -1 1 279.767 3.356 20 0 CGADMM CN(C[C@H]1CC=CCC1)C(=O)c1c([O-])cccc1Cl ZINC000753104331 626445326 /nfs/dbraw/zinc/44/53/26/626445326.db2.gz GAKGVCNSXBMURW-NSHDSACASA-N -1 1 279.767 3.474 20 0 CGADMM O=C(NCCC[C@H]1CCCCO1)c1c([O-])cccc1Cl ZINC000761013293 627009161 /nfs/dbraw/zinc/00/91/61/627009161.db2.gz ORTXRKFWWMSTQD-LLVKDONJSA-N -1 1 297.782 3.125 20 0 CGADMM CCC[C@H](C)c1noc(-c2ccc(OC)cc2[O-])n1 ZINC000761848695 627066741 /nfs/dbraw/zinc/06/67/41/627066741.db2.gz OPWQZAHVWJFXAT-VIFPVBQESA-N -1 1 262.309 3.354 20 0 CGADMM CC1(C)CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000805324049 627306926 /nfs/dbraw/zinc/30/69/26/627306926.db2.gz YATOSZBWEVUVQJ-NSHDSACASA-N -1 1 287.281 3.329 20 0 CGADMM O=C(OCCCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000767332911 627398816 /nfs/dbraw/zinc/39/88/16/627398816.db2.gz FFYDBUUZFVSOOT-UHFFFAOYSA-N -1 1 267.083 3.215 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H](F)c1ccccc1 ZINC000769613613 627569903 /nfs/dbraw/zinc/56/99/03/627569903.db2.gz QHWDPOIGQKLFND-ZDUSSCGKSA-N -1 1 263.243 3.181 20 0 CGADMM COCCN(C(=O)c1c([O-])cccc1Cl)C1CCCC1 ZINC000769717298 627574358 /nfs/dbraw/zinc/57/43/58/627574358.db2.gz UYNLVDQGRFKURD-UHFFFAOYSA-N -1 1 297.782 3.077 20 0 CGADMM CCC[C@H]1SCCN1C(=O)c1c([O-])cccc1Cl ZINC000769860389 627584067 /nfs/dbraw/zinc/58/40/67/627584067.db2.gz YBGUCLZIPAVNBE-LLVKDONJSA-N -1 1 285.796 3.361 20 0 CGADMM CCCCCC(=O)Nc1nc(Br)ccc1[O-] ZINC000771571697 627720584 /nfs/dbraw/zinc/72/05/84/627720584.db2.gz CGSBOLCWUGNARY-UHFFFAOYSA-N -1 1 287.157 3.069 20 0 CGADMM C[C@H]1CCCC[C@H]1OCCOC(=O)c1ccc([O-])cc1F ZINC000773566957 627897478 /nfs/dbraw/zinc/89/74/78/627897478.db2.gz RARMEKKFXZASCW-XHDPSFHLSA-N -1 1 296.338 3.283 20 0 CGADMM O=C(OCc1ccc(C2CCCCC2)cc1)c1cn[n-]n1 ZINC000805606475 628347816 /nfs/dbraw/zinc/34/78/16/628347816.db2.gz XZWGDIVJQQGGTF-UHFFFAOYSA-N -1 1 285.347 3.209 20 0 CGADMM CCc1cccc2cc(C=C3SC(=O)[N-]C3=O)oc21 ZINC000874930240 634655912 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CC[C@@H](C)C[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000164161888 799083148 /nfs/dbraw/zinc/08/31/48/799083148.db2.gz PILLEBCNRVEMRW-ZJUUUORDSA-N -1 1 253.317 3.086 20 0 CGADMM COc1ccc([C@H](C)NCc2cc(C(=O)[O-])oc2C)cc1 ZINC000234970547 799144540 /nfs/dbraw/zinc/14/45/40/799144540.db2.gz QBYDOEDTOWTKOI-JTQLQIEISA-N -1 1 289.331 3.146 20 0 CGADMM CCOc1cc(C)ccc1CNCc1cccc(C(=O)[O-])c1 ZINC000263429457 799179000 /nfs/dbraw/zinc/17/90/00/799179000.db2.gz RRHWFMSQWHSKAP-UHFFFAOYSA-N -1 1 299.370 3.382 20 0 CGADMM CO[C@H](C)c1nc(=NC2CCCCCCC2)s[n-]1 ZINC000385433506 799426262 /nfs/dbraw/zinc/42/62/62/799426262.db2.gz OARMWOPAMRWXDS-SNVBAGLBSA-N -1 1 269.414 3.192 20 0 CGADMM O=C([O-])c1cccc(CN2CCC[C@H](CF)C2)c1Cl ZINC000711447972 800059019 /nfs/dbraw/zinc/05/90/19/800059019.db2.gz WFLXWGQNSXNVOO-SNVBAGLBSA-N -1 1 285.746 3.220 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccoc1)C1CC1 ZINC000723734066 800337417 /nfs/dbraw/zinc/33/74/17/800337417.db2.gz GCXZKWBWSPXCAL-UHFFFAOYSA-N -1 1 291.734 3.443 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccc(Cl)nc3)n2)cc1F ZINC000809470340 800439795 /nfs/dbraw/zinc/43/97/95/800439795.db2.gz BMVMTIPCVSYZNR-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM C[C@H]1C[C@H]1c1nnc(-c2cc(Br)ccc2[O-])o1 ZINC001256619312 806927648 /nfs/dbraw/zinc/92/76/48/806927648.db2.gz XFWNGEWSEFIUCY-POYBYMJQSA-N -1 1 295.136 3.328 20 0 CGADMM C[C@@H]1C[C@@H]1c1nnc(-c2ccc([O-])cc2Br)o1 ZINC001256758688 806972808 /nfs/dbraw/zinc/97/28/08/806972808.db2.gz DUPUSWXAXNROMW-MUWHJKNJSA-N -1 1 295.136 3.328 20 0 CGADMM O=C1CCc2cc(-c3cc(F)c([O-])c(F)c3)ccc2O1 ZINC001244096102 803183889 /nfs/dbraw/zinc/18/38/89/803183889.db2.gz JPPRGOWOTMPRCP-UHFFFAOYSA-N -1 1 276.238 3.189 20 0 CGADMM COc1cc(F)cc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244097805 803185638 /nfs/dbraw/zinc/18/56/38/803185638.db2.gz ZFSZFVUWSKBTJK-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COC(=O)c1nc2cc(-c3cncc(C)c3C)ccc2[n-]1 ZINC001244153595 803213925 /nfs/dbraw/zinc/21/39/25/803213925.db2.gz KLKFIOBBNOKMEG-UHFFFAOYSA-N -1 1 281.315 3.028 20 0 CGADMM COC(=O)c1nc2ccc(-c3cncc(C)c3C)cc2[n-]1 ZINC001244153595 803213928 /nfs/dbraw/zinc/21/39/28/803213928.db2.gz KLKFIOBBNOKMEG-UHFFFAOYSA-N -1 1 281.315 3.028 20 0 CGADMM O=C([O-])CCc1ccc(-c2cc3[nH]ccc3cn2)cc1 ZINC001244187194 803232276 /nfs/dbraw/zinc/23/22/76/803232276.db2.gz QFUPPFJARDLJHY-UHFFFAOYSA-N -1 1 266.300 3.247 20 0 CGADMM [O-]c1c(F)cc(-c2nccc3[nH]cnc32)cc1Cl ZINC001244499530 803404874 /nfs/dbraw/zinc/40/48/74/803404874.db2.gz FNQIIJSITFOCCE-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM Cc1cc(-c2cc3ccccc3n(C)c2=O)cc([O-])c1F ZINC001244519967 803415401 /nfs/dbraw/zinc/41/54/01/803415401.db2.gz HXOYKSFBVCKFMQ-UHFFFAOYSA-N -1 1 283.302 3.359 20 0 CGADMM Cc1cc(-c2cc(N)c(F)cn2)cc(Cl)c1[O-] ZINC001244537240 803423759 /nfs/dbraw/zinc/42/37/59/803423759.db2.gz YQNVSYFDCXRSIQ-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM Cc1nc2[nH]ccc2c(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244538120 803425449 /nfs/dbraw/zinc/42/54/49/803425449.db2.gz JKFHGECUWWTAGO-UHFFFAOYSA-N -1 1 277.686 3.383 20 0 CGADMM [O-]c1ccc(Cl)c(-c2nccc3c2CCN3)c1F ZINC001244537357 803425567 /nfs/dbraw/zinc/42/55/67/803425567.db2.gz CRZLUINLVGZOLJ-UHFFFAOYSA-N -1 1 264.687 3.215 20 0 CGADMM Cc1cc(-c2cc3c(nn2)CCC3)cc(Cl)c1[O-] ZINC001244537837 803425754 /nfs/dbraw/zinc/42/57/54/803425754.db2.gz GRMXZTZPWBHBCS-UHFFFAOYSA-N -1 1 260.724 3.300 20 0 CGADMM Cc1ncnc(-c2c(Cl)ccc([O-])c2F)c1C ZINC001244539387 803426943 /nfs/dbraw/zinc/42/69/43/803426943.db2.gz YZCVILDJWDUDAE-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM CSc1ccc(-c2c(Cl)ccc([O-])c2F)nn1 ZINC001244540224 803428580 /nfs/dbraw/zinc/42/85/80/803428580.db2.gz KIMLTFJCLXADBV-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM CN(C)c1ncccc1-c1c(Cl)ccc([O-])c1F ZINC001244543687 803430441 /nfs/dbraw/zinc/43/04/41/803430441.db2.gz ZEGSKBKVNYBNEA-UHFFFAOYSA-N -1 1 266.703 3.313 20 0 CGADMM Cc1nc2[nH]ccc2nc1-c1c(Cl)ccc([O-])c1F ZINC001244543803 803430989 /nfs/dbraw/zinc/43/09/89/803430989.db2.gz XLMPSUFMRPERLL-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM Cc1cc(-c2ccc(=O)n(C(C)C)n2)cc(Cl)c1[O-] ZINC001244554699 803435830 /nfs/dbraw/zinc/43/58/30/803435830.db2.gz MKTPJOFHRWJXJL-UHFFFAOYSA-N -1 1 278.739 3.159 20 0 CGADMM O=C([O-])c1cc(-c2cncc3nc[nH]c32)c(F)cc1Cl ZINC001244613004 803464128 /nfs/dbraw/zinc/46/41/28/803464128.db2.gz MZEMNOZRBILNQU-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM O=C([O-])c1cc(-c2cncc3[nH]cnc32)c(F)cc1Cl ZINC001244613004 803464129 /nfs/dbraw/zinc/46/41/29/803464129.db2.gz MZEMNOZRBILNQU-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM CCc1ccc(CN(C)C(=O)c2ccc([O-])cc2F)cc1 ZINC001135425770 803595658 /nfs/dbraw/zinc/59/56/58/803595658.db2.gz NCANRKHVQQAQKB-UHFFFAOYSA-N -1 1 287.334 3.366 20 0 CGADMM CN(CC1CCCCC1)C(=O)c1cccc([O-])c1F ZINC001136168146 803634276 /nfs/dbraw/zinc/63/42/76/803634276.db2.gz ORNDWHVYYAXKQA-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM C[C@H](CN(C)C(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001136598726 803647161 /nfs/dbraw/zinc/64/71/61/803647161.db2.gz MVFXBPSKDCTDHX-GFCCVEGCSA-N -1 1 287.334 3.407 20 0 CGADMM O=C([O-])c1ccc(-c2nccc3c2CCN3)c(Cl)c1 ZINC001245373105 803718182 /nfs/dbraw/zinc/71/81/82/803718182.db2.gz TUMPYXVSNMKAQD-UHFFFAOYSA-N -1 1 274.707 3.068 20 0 CGADMM CC[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])[C@@H]1C ZINC001138447307 803940129 /nfs/dbraw/zinc/94/01/29/803940129.db2.gz PXQUNKSCQGKUKB-ZJUUUORDSA-N -1 1 267.756 3.306 20 0 CGADMM CC[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])[C@H]1C ZINC001138447306 803940518 /nfs/dbraw/zinc/94/05/18/803940518.db2.gz PXQUNKSCQGKUKB-VHSXEESVSA-N -1 1 267.756 3.306 20 0 CGADMM COc1cccc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245828526 803982983 /nfs/dbraw/zinc/98/29/83/803982983.db2.gz USBIVDIKLZUZMO-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM CCOc1nccnc1-c1c(F)ccc([O-])c1Cl ZINC001245830909 803984129 /nfs/dbraw/zinc/98/41/29/803984129.db2.gz YXTOWUGYKLQHIB-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM CCOc1ncc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245831878 803986374 /nfs/dbraw/zinc/98/63/74/803986374.db2.gz RTQNLSDNNBYDQV-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM [O-]c1ccc(F)c(-c2cccc(-c3nn[nH]n3)c2)c1Cl ZINC001245832400 803986978 /nfs/dbraw/zinc/98/69/78/803986978.db2.gz VILZBOXFQZDPDH-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM O=C1NCc2cccc(-c3c(F)ccc([O-])c3Cl)c21 ZINC001245832016 803987063 /nfs/dbraw/zinc/98/70/63/803987063.db2.gz GYFNZNOUMIOQLU-UHFFFAOYSA-N -1 1 277.682 3.095 20 0 CGADMM Nc1ccc(-c2cc(=O)n(CC3CCCC3)[n-]2)cc1 ZINC001245936333 804067193 /nfs/dbraw/zinc/06/71/93/804067193.db2.gz JNOOELJTEZJXJG-UHFFFAOYSA-N -1 1 257.337 3.028 20 0 CGADMM Oc1ccc(CN2CCCCC23CC3)c(F)c1F ZINC001140893289 804546216 /nfs/dbraw/zinc/54/62/16/804546216.db2.gz MUNGVYSZYNPQKB-UHFFFAOYSA-N -1 1 253.292 3.189 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@H]2C(F)(F)F)cc1F ZINC001140988078 804561381 /nfs/dbraw/zinc/56/13/81/804561381.db2.gz MKTVWFPNRBLQBH-JTQLQIEISA-N -1 1 281.224 3.197 20 0 CGADMM [O-]c1c(F)cc(CN2Cc3cnc(Cl)cc3C2)cc1F ZINC001140993670 804563856 /nfs/dbraw/zinc/56/38/56/804563856.db2.gz CDBKRKIKXPWNOU-UHFFFAOYSA-N -1 1 296.704 3.235 20 0 CGADMM Cc1cc(F)c(F)cc1-c1noc(-c2ncccc2[O-])n1 ZINC001212480668 815034841 /nfs/dbraw/zinc/03/48/41/815034841.db2.gz BUUVIEOCJAXBRS-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM CN(Cc1cccnc1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142643556 804746783 /nfs/dbraw/zinc/74/67/83/804746783.db2.gz ZTYAYSSPUAAIGZ-UHFFFAOYSA-N -1 1 290.750 3.065 20 0 CGADMM CN(Cc1ccc(Cl)cc1C(=O)[O-])C1CC(F)(F)C1 ZINC001142643094 804747021 /nfs/dbraw/zinc/74/70/21/804747021.db2.gz DWWMRHAGBWDRLR-UHFFFAOYSA-N -1 1 289.709 3.268 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cc(F)cc(F)c1O ZINC001212482009 815036282 /nfs/dbraw/zinc/03/62/82/815036282.db2.gz VSPFLFYNVIYKIH-UHFFFAOYSA-N -1 1 272.638 3.168 20 0 CGADMM CCC(CC)N(C(=O)c1cc(C)cc(C=O)c1[O-])C1CC1 ZINC001143293177 804833039 /nfs/dbraw/zinc/83/30/39/804833039.db2.gz FOJRDIKYUNFNHU-UHFFFAOYSA-N -1 1 289.375 3.306 20 0 CGADMM CC[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001248407332 804929603 /nfs/dbraw/zinc/92/96/03/804929603.db2.gz PPHVHFPGWGOBHM-NSHDSACASA-N -1 1 296.798 3.377 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccsc2Cl)n1 ZINC001166029278 807032706 /nfs/dbraw/zinc/03/27/06/807032706.db2.gz BJUZNBDWELQFKW-UHFFFAOYSA-N -1 1 288.781 3.204 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@@H](CF)C(F)(F)C2)c(F)c1 ZINC001144541164 805001478 /nfs/dbraw/zinc/00/14/78/805001478.db2.gz CPLKLHMYEFIRDG-QMMMGPOBSA-N -1 1 295.251 3.097 20 0 CGADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)c(N)c1Cl ZINC001146492236 805070241 /nfs/dbraw/zinc/07/02/41/805070241.db2.gz KSSKTHGATIYQQY-UHFFFAOYSA-N -1 1 294.713 3.328 20 0 CGADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])C1CC=CC1 ZINC001146702724 805080656 /nfs/dbraw/zinc/08/06/56/805080656.db2.gz SYZGRCBJBQXTET-UHFFFAOYSA-N -1 1 271.238 3.316 20 0 CGADMM O=C(N[C@H]1CC12CCC2)c1ccc(C(F)(F)F)cc1[O-] ZINC001148806571 805211058 /nfs/dbraw/zinc/21/10/58/805211058.db2.gz YGUQPNDGURDQIK-NSHDSACASA-N -1 1 285.265 3.083 20 0 CGADMM O=C(Nc1ccnnc1)c1cccc(-c2ccccc2)c1[O-] ZINC001148861131 805212840 /nfs/dbraw/zinc/21/28/40/805212840.db2.gz MPVNSUSHDLAPNB-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM O=C([O-])c1c(F)ccc(CN2CC[C@@H]3CCC[C@@H]3C2)c1F ZINC001249764708 805237107 /nfs/dbraw/zinc/23/71/07/805237107.db2.gz WQGNCIUEENIIII-WDEREUQCSA-N -1 1 295.329 3.285 20 0 CGADMM COc1ccc(C(=O)Cc2c(F)cc([O-])cc2F)cc1 ZINC001249904187 805293005 /nfs/dbraw/zinc/29/30/05/805293005.db2.gz LVLVLHWRUWDURB-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCc2cccnc21 ZINC001151583176 805299281 /nfs/dbraw/zinc/29/92/81/805299281.db2.gz VNOMSLXGUPXVPX-LLVKDONJSA-N -1 1 288.734 3.109 20 0 CGADMM COc1cc(Nc2cc([O-])c(F)c(F)c2F)c(F)cn1 ZINC001249960757 805326176 /nfs/dbraw/zinc/32/61/76/805326176.db2.gz SHXCHLZGKOMVMT-UHFFFAOYSA-N -1 1 288.200 3.096 20 0 CGADMM Cc1noc(Nc2cc([O-])c(F)c(F)c2F)c1C ZINC001249958884 805326351 /nfs/dbraw/zinc/32/63/51/805326351.db2.gz UYDNAQUWRLCWMW-UHFFFAOYSA-N -1 1 258.199 3.158 20 0 CGADMM [O-]c1cc(Nc2ccc(F)cc2O)c(F)c(F)c1F ZINC001249963060 805331241 /nfs/dbraw/zinc/33/12/41/805331241.db2.gz QQNKXGHRLJHVMG-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM CC(C)(C)c1ccccc1NC(=O)c1ccc([O-])cn1 ZINC001152481450 805352004 /nfs/dbraw/zinc/35/20/04/805352004.db2.gz YDCWNKWGZMBLGW-UHFFFAOYSA-N -1 1 270.332 3.337 20 0 CGADMM [O-]c1ccc(COCc2ccccc2)c(F)c1F ZINC001249998649 805356728 /nfs/dbraw/zinc/35/67/28/805356728.db2.gz BYXYDKBRYMDDAR-UHFFFAOYSA-N -1 1 250.244 3.387 20 0 CGADMM Cc1cncc(Nc2cc(Cl)c([O-])cc2F)n1 ZINC001250017702 805369731 /nfs/dbraw/zinc/36/97/31/805369731.db2.gz GGMWHRBLEQJXIA-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM CCn1cc(Nc2cc(Cl)c([O-])cc2F)c(C)n1 ZINC001250020013 805369874 /nfs/dbraw/zinc/36/98/74/805369874.db2.gz ANWVUVPTBXOPQL-UHFFFAOYSA-N -1 1 269.707 3.453 20 0 CGADMM [O-]c1cc(F)c(Nc2noc3cnccc32)cc1Cl ZINC001250020208 805371640 /nfs/dbraw/zinc/37/16/40/805371640.db2.gz PHRMLNIEKMMOQI-UHFFFAOYSA-N -1 1 279.658 3.465 20 0 CGADMM Cc1nccc(Nc2cc(Cl)c([O-])cc2F)n1 ZINC001250020417 805372328 /nfs/dbraw/zinc/37/23/28/805372328.db2.gz KFRVRRZXALQRDC-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM O=C(CCc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001250024535 805375529 /nfs/dbraw/zinc/37/55/29/805375529.db2.gz PHFPFJGQMPWWMC-UHFFFAOYSA-N -1 1 262.255 3.486 20 0 CGADMM Cc1noc([N-]c2c(Cl)cccc2Cl)c1C(N)=O ZINC001250029409 805379972 /nfs/dbraw/zinc/37/99/72/805379972.db2.gz IJBGUFGLIKXPQB-UHFFFAOYSA-N -1 1 286.118 3.132 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@@]2(C)c2ccccc2)c([O-])c1 ZINC001153419073 805395378 /nfs/dbraw/zinc/39/53/78/805395378.db2.gz CMPWDMVLCRECIY-SFHVURJKSA-N -1 1 296.370 3.247 20 0 CGADMM O=C(c1c([O-])ccc2ccccc21)N1CCn2cccc2C1 ZINC001153504683 805399470 /nfs/dbraw/zinc/39/94/70/805399470.db2.gz GCCKPWFFBIGJLB-UHFFFAOYSA-N -1 1 292.338 3.003 20 0 CGADMM COC1CCC(NC(=O)c2c([O-])ccc3ccccc32)CC1 ZINC001153503599 805400195 /nfs/dbraw/zinc/40/01/95/805400195.db2.gz BUFDJLDPUHFHDV-UHFFFAOYSA-N -1 1 299.370 3.233 20 0 CGADMM Cn1ccc2ccc(NC(=O)c3cccc([O-])c3F)cc21 ZINC001154480190 805459287 /nfs/dbraw/zinc/45/92/87/805459287.db2.gz BXOUSWNMIFYSIO-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM CCOc1c(F)cc([N-]c2nnco2)cc1Cl ZINC001250217629 805497916 /nfs/dbraw/zinc/49/79/16/805497916.db2.gz GJIZWCJVAMBBMU-UHFFFAOYSA-N -1 1 257.652 3.004 20 0 CGADMM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ncccc1[O-])CC2 ZINC001155026386 805526107 /nfs/dbraw/zinc/52/61/07/805526107.db2.gz JGBGKHXFJQORPY-OAHLLOKOSA-N -1 1 296.370 3.328 20 0 CGADMM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ncccc1[O-])CC2 ZINC001155026385 805526367 /nfs/dbraw/zinc/52/63/67/805526367.db2.gz JGBGKHXFJQORPY-HNNXBMFYSA-N -1 1 296.370 3.328 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ncc(C)cc2Cl)c1 ZINC001256868618 806995195 /nfs/dbraw/zinc/99/51/95/806995195.db2.gz BUCYOXVZIJQXRY-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM CC(C)Oc1ccc(-c2nnc(-c3ccncc3[O-])o2)cc1 ZINC001256903591 807004040 /nfs/dbraw/zinc/00/40/40/807004040.db2.gz SINOIXFISLRVDZ-UHFFFAOYSA-N -1 1 297.314 3.291 20 0 CGADMM CC[C@@H]1CCC[C@@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001165800059 807019406 /nfs/dbraw/zinc/01/94/06/807019406.db2.gz HOTRCGRUEBPTNG-MFKMUULPSA-N -1 1 251.301 3.062 20 0 CGADMM [O-]c1cc(O)ccc1-c1nnc(CCCc2ccccc2)o1 ZINC001257747733 807219526 /nfs/dbraw/zinc/21/95/26/807219526.db2.gz SZGRXGUHXIUFPM-UHFFFAOYSA-N -1 1 296.326 3.323 20 0 CGADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@H]1C[C@H]2C[C@H]2C1 ZINC001167924130 807275039 /nfs/dbraw/zinc/27/50/39/807275039.db2.gz ONALCWZACQZGLZ-ITGUQSILSA-N -1 1 269.348 3.097 20 0 CGADMM CC(C)CCc1nnc(-c2ccc(F)c([O-])c2)o1 ZINC001258350442 807423765 /nfs/dbraw/zinc/42/37/65/807423765.db2.gz INVOWJDLOQSIDD-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM CC(C)CCc1nnc(-c2cc([O-])cc(F)c2F)o1 ZINC001258356425 807426210 /nfs/dbraw/zinc/42/62/10/807426210.db2.gz GLZUHLSKOVLEDC-UHFFFAOYSA-N -1 1 268.263 3.309 20 0 CGADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@@H](C)CC1CC1 ZINC001258457482 807463194 /nfs/dbraw/zinc/46/31/94/807463194.db2.gz IDFJLRSMCKWQED-NSHDSACASA-N -1 1 271.364 3.487 20 0 CGADMM O=S(=O)(Cc1ccccc1Cl)[N-]c1cccs1 ZINC001260689677 807699047 /nfs/dbraw/zinc/69/90/47/807699047.db2.gz QMWLYDKHKYPXSU-UHFFFAOYSA-N -1 1 287.793 3.343 20 0 CGADMM CCOc1ncc(Nc2ccnc(Cl)c2[O-])cc1F ZINC001212829907 815149095 /nfs/dbraw/zinc/14/90/95/815149095.db2.gz CEYOOVLWWOEABG-UHFFFAOYSA-N -1 1 283.690 3.117 20 0 CGADMM CCOc1ncc(Nc2cc([O-])c(F)c(F)c2)cc1F ZINC001212833346 815150116 /nfs/dbraw/zinc/15/01/16/815150116.db2.gz UXVZCNLLCWJDRK-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM CCC[C@H]1CCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001262646760 807885601 /nfs/dbraw/zinc/88/56/01/807885601.db2.gz LIKHRQRLUZYAPB-LBPRGKRZSA-N -1 1 281.783 3.379 20 0 CGADMM C[C@H]1CC[C@H](NC2=CC=C[CH]2)CN1C(=O)OC(C)(C)C ZINC001173052688 808500969 /nfs/dbraw/zinc/50/09/69/808500969.db2.gz HHUHFVQECVUHOV-JSGCOSHPSA-N -1 1 277.388 3.022 20 0 CGADMM COc1ccc(OC)c(Nc2ccnc(Cl)c2[O-])c1 ZINC001173918860 808759740 /nfs/dbraw/zinc/75/97/40/808759740.db2.gz GQESJYCNUKTWEM-UHFFFAOYSA-N -1 1 280.711 3.201 20 0 CGADMM COc1cccc(OC)c1Nc1ccc(F)c(F)c1[O-] ZINC001173922880 808762370 /nfs/dbraw/zinc/76/23/70/808762370.db2.gz NEVUHVCTCZBWOJ-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM COc1cccc(OC)c1Nc1cc(F)c([O-])cc1F ZINC001173923120 808763474 /nfs/dbraw/zinc/76/34/74/808763474.db2.gz UXHRWNMGEJAOCT-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM COC(=O)c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001173964830 808791846 /nfs/dbraw/zinc/79/18/46/808791846.db2.gz MYJLTFKXZUSNDJ-UHFFFAOYSA-N -1 1 279.242 3.201 20 0 CGADMM Cn1nc(C(F)(F)F)cc1Nc1c([O-])cc(F)cc1F ZINC001174325841 808951730 /nfs/dbraw/zinc/95/17/30/808951730.db2.gz KKUBGPXBOVXXJP-UHFFFAOYSA-N -1 1 293.195 3.166 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc2n[nH]cc21 ZINC001174343519 808964483 /nfs/dbraw/zinc/96/44/83/808964483.db2.gz TZYKILQUJOCBHH-UHFFFAOYSA-N -1 1 293.282 3.119 20 0 CGADMM COc1cc(F)c([N-]c2noc(C(C)(C)C)n2)cc1F ZINC001174924287 809202464 /nfs/dbraw/zinc/20/24/64/809202464.db2.gz SCHBLDVDLOAJNI-UHFFFAOYSA-N -1 1 283.278 3.398 20 0 CGADMM Cc1nonc1[N-]c1ccc(F)cc1C(F)(F)F ZINC001175101596 809272157 /nfs/dbraw/zinc/27/21/57/809272157.db2.gz SQZNULBFZSDVSK-UHFFFAOYSA-N -1 1 261.178 3.280 20 0 CGADMM CCOc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)c(C)c1 ZINC001175245472 809323269 /nfs/dbraw/zinc/32/32/69/809323269.db2.gz AVTYAKVBAWLQMK-UHFFFAOYSA-N -1 1 283.331 3.020 20 0 CGADMM Cc1nc2ccc(F)cn2c1Nc1cccc(C(=O)[O-])c1 ZINC001175330196 809357829 /nfs/dbraw/zinc/35/78/29/809357829.db2.gz HRKRJXQRERTZMI-UHFFFAOYSA-N -1 1 285.278 3.224 20 0 CGADMM CCN(Cc1cccs1)C(=O)c1ccc(F)c([O-])c1 ZINC001290660665 809412038 /nfs/dbraw/zinc/41/20/38/809412038.db2.gz YRHGKFDLUBVBCO-UHFFFAOYSA-N -1 1 279.336 3.255 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)c2cccc(C)c2C)c([O-])c1 ZINC001293295879 809446868 /nfs/dbraw/zinc/44/68/68/809446868.db2.gz SIPMCMARXQNCHZ-CYBMUJFWSA-N -1 1 284.359 3.203 20 0 CGADMM Cc1ncc(C2CC2)cc1[N-]c1nonc1C1CC1 ZINC001213494668 815289831 /nfs/dbraw/zinc/28/98/31/815289831.db2.gz FDFCYMNBMPBGAM-UHFFFAOYSA-N -1 1 256.309 3.271 20 0 CGADMM Cc1cnc(C(=O)NCC2(CC(C)C)CCCC2)c([O-])c1 ZINC001294660760 809473643 /nfs/dbraw/zinc/47/36/43/809473643.db2.gz SJXFOOLFBHMDPO-UHFFFAOYSA-N -1 1 290.407 3.432 20 0 CGADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc(F)ccc1[O-] ZINC001297671660 809521672 /nfs/dbraw/zinc/52/16/72/809521672.db2.gz USUPNTPMESNRQE-NXEZZACHSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(/C=C/c1ccc(O)cc1)Nc1ccc([O-])c(F)c1F ZINC001297820238 809524024 /nfs/dbraw/zinc/52/40/24/809524024.db2.gz MNSIPPQGLORVFE-FPYGCLRLSA-N -1 1 291.253 3.028 20 0 CGADMM O=C(CCc1ccccc1F)Nc1ccc([O-])c(F)c1F ZINC001297821663 809524131 /nfs/dbraw/zinc/52/41/31/809524131.db2.gz XABZEPIVQMLKKV-UHFFFAOYSA-N -1 1 295.260 3.381 20 0 CGADMM CCCn1nc(C)cc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001175806771 809549917 /nfs/dbraw/zinc/54/99/17/809549917.db2.gz CQRXKZCADSHFBN-UHFFFAOYSA-N -1 1 297.362 3.236 20 0 CGADMM Cc1cncc(Nc2c([O-])cc(F)cc2F)c1C ZINC001213531279 815299644 /nfs/dbraw/zinc/29/96/44/815299644.db2.gz ZHKUGPVWPADWAR-UHFFFAOYSA-N -1 1 250.248 3.426 20 0 CGADMM C[C@H]1CCC[C@H](CNC(=O)c2cc3ccccc3cc2[O-])O1 ZINC001300962634 809577061 /nfs/dbraw/zinc/57/70/61/809577061.db2.gz PMYGRTCVZGCQGN-SWLSCSKDSA-N -1 1 299.370 3.233 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cccc2cnccc21 ZINC001302487776 809595416 /nfs/dbraw/zinc/59/54/16/809595416.db2.gz YBVRLKIJEHMZNC-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM [O-]c1cc(Nc2cccc3c2OCC3)cc(F)c1F ZINC001176075302 809614879 /nfs/dbraw/zinc/61/48/79/809614879.db2.gz KMBONOLFMWJWKZ-UHFFFAOYSA-N -1 1 263.243 3.349 20 0 CGADMM COc1cc(Cl)cc(Nc2cc(=O)[n-]c(SC)n2)c1 ZINC001176342365 809673591 /nfs/dbraw/zinc/67/35/91/809673591.db2.gz LRLWAJQIWMADOE-UHFFFAOYSA-N -1 1 297.767 3.310 20 0 CGADMM COc1ccc(O)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001176579812 809722054 /nfs/dbraw/zinc/72/20/54/809722054.db2.gz XKYBVDKLNHNYQA-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM Cc1cccc2c1nc(N)n2-c1ccc(/C=C/C(=O)[O-])cc1 ZINC001176591687 809725871 /nfs/dbraw/zinc/72/58/71/809725871.db2.gz NTJQHIDBXNVHCP-JXMROGBWSA-N -1 1 293.326 3.014 20 0 CGADMM COc1cc(C)c(Nc2c(F)cc(F)c([O-])c2F)cn1 ZINC001176664683 809738152 /nfs/dbraw/zinc/73/81/52/809738152.db2.gz URLCTEHBERSPTN-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)c(C)cn1 ZINC001176669600 809738921 /nfs/dbraw/zinc/73/89/21/809738921.db2.gz IVMYRCZLKDKZLW-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM COc1cccc(O)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176670643 809739275 /nfs/dbraw/zinc/73/92/75/809739275.db2.gz JDYIIIGAFWHDIQ-UHFFFAOYSA-N -1 1 285.221 3.267 20 0 CGADMM COc1cccc(N)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176671001 809739790 /nfs/dbraw/zinc/73/97/90/809739790.db2.gz QCSGTOQYUNGWDY-UHFFFAOYSA-N -1 1 284.237 3.144 20 0 CGADMM CN(c1cccc(N)c1)c1c(F)cc(F)c([O-])c1F ZINC001176673143 809741071 /nfs/dbraw/zinc/74/10/71/809741071.db2.gz DYAZEOSYZXOWAC-UHFFFAOYSA-N -1 1 268.238 3.160 20 0 CGADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cnc2nonc2c1 ZINC001176696589 809743377 /nfs/dbraw/zinc/74/33/77/809743377.db2.gz QYPDDWZHDAARIB-UHFFFAOYSA-N -1 1 297.101 3.374 20 0 CGADMM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)c2ncccc2[O-])C1 ZINC001177091448 809779900 /nfs/dbraw/zinc/77/99/00/809779900.db2.gz VXIKHGOCXNPQQM-BDJLRTHQSA-N -1 1 276.380 3.122 20 0 CGADMM COCCc1ccccc1NCc1ccc([O-])c(F)c1F ZINC001180908794 810027091 /nfs/dbraw/zinc/02/70/91/810027091.db2.gz ZWUHEJGQOMWPRA-UHFFFAOYSA-N -1 1 293.313 3.471 20 0 CGADMM CCOC(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001181152481 810041132 /nfs/dbraw/zinc/04/11/32/810041132.db2.gz ILJPRPFMIHVNLL-UHFFFAOYSA-N -1 1 291.269 3.165 20 0 CGADMM Cc1cc(C)c(C(=O)Nc2ccc(F)cc2[O-])s1 ZINC001183055027 810136237 /nfs/dbraw/zinc/13/62/37/810136237.db2.gz ZXBMNUYJENQKJD-UHFFFAOYSA-N -1 1 265.309 3.462 20 0 CGADMM CSc1cc(C)c(C(=O)Nc2ccc(F)cc2[O-])o1 ZINC001183054955 810136323 /nfs/dbraw/zinc/13/63/23/810136323.db2.gz XNQTXJJRDZKYPL-UHFFFAOYSA-N -1 1 281.308 3.407 20 0 CGADMM CCN(C)c1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC001185391627 810260891 /nfs/dbraw/zinc/26/08/91/810260891.db2.gz BLOAVEXGJQOBRM-UHFFFAOYSA-N -1 1 296.417 3.005 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cc(F)c(CO)c(F)c1 ZINC001214038828 815359864 /nfs/dbraw/zinc/35/98/64/815359864.db2.gz JPVXZZGDXSRMQT-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM CCc1ccc(NC(=O)c2ccc([O-])c(F)c2)c(O)c1 ZINC001186226004 810321960 /nfs/dbraw/zinc/32/19/60/810321960.db2.gz JNUOXOXOSNRYLQ-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc([O-])cc2F)CCC1(F)F ZINC001186318334 810327998 /nfs/dbraw/zinc/32/79/98/810327998.db2.gz ITXOFMCUTBFKDG-VIFPVBQESA-N -1 1 287.281 3.039 20 0 CGADMM CCOc1ccc(C)cc1NC(=O)c1ccc([O-])cc1F ZINC001186329782 810329442 /nfs/dbraw/zinc/32/94/42/810329442.db2.gz VPTDRTLUUMBFCS-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM O=C(NCC1CCCCC1)Nc1ccc([O-])c(F)c1F ZINC001186875176 810368694 /nfs/dbraw/zinc/36/86/94/810368694.db2.gz FCPVORLUABLAIA-UHFFFAOYSA-N -1 1 284.306 3.372 20 0 CGADMM O=C([N-]c1noc2cccnc21)c1ccoc1C(F)(F)F ZINC001187711841 810418788 /nfs/dbraw/zinc/41/87/88/810418788.db2.gz KVSLZHQIIPYWHM-UHFFFAOYSA-N -1 1 297.192 3.087 20 0 CGADMM O=C(Nc1scnc1C1CC1)c1cc([O-])cc(F)c1F ZINC001192660767 810815217 /nfs/dbraw/zinc/81/52/17/810815217.db2.gz BPZVPODNVQMNNO-UHFFFAOYSA-N -1 1 296.298 3.257 20 0 CGADMM CCCC[C@H](C)NC(=O)Nc1ccc(F)cc1[O-] ZINC001193062888 810849342 /nfs/dbraw/zinc/84/93/42/810849342.db2.gz YFFFZNHFOGYQJL-VIFPVBQESA-N -1 1 254.305 3.232 20 0 CGADMM Cc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(CO)c1 ZINC001214468576 815414608 /nfs/dbraw/zinc/41/46/08/815414608.db2.gz ILZJRSUMAYJRFK-UHFFFAOYSA-N -1 1 295.342 3.122 20 0 CGADMM CSc1cc(Nc2cc(F)c([O-])c(Cl)c2)n(C)n1 ZINC001214484197 815416520 /nfs/dbraw/zinc/41/65/20/815416520.db2.gz DGKLPEHVVRGSEX-UHFFFAOYSA-N -1 1 287.747 3.384 20 0 CGADMM CCc1cc(Nc2cc(F)c([O-])c(Cl)c2)on1 ZINC001214482667 815416602 /nfs/dbraw/zinc/41/66/02/815416602.db2.gz HUMYLDKQLVQXJK-UHFFFAOYSA-N -1 1 256.664 3.479 20 0 CGADMM COc1ncc(Nc2cc(F)c([O-])c(Cl)c2)c(C)n1 ZINC001214484201 815416633 /nfs/dbraw/zinc/41/66/33/815416633.db2.gz DMAXWKIRCWMYNI-UHFFFAOYSA-N -1 1 283.690 3.035 20 0 CGADMM Cc1ccc(Nc2cc(F)c([O-])c(Cl)c2)c(C(N)=O)c1 ZINC001214489659 815417292 /nfs/dbraw/zinc/41/72/92/815417292.db2.gz FLIYTSHSUNQQSR-UHFFFAOYSA-N -1 1 294.713 3.336 20 0 CGADMM CNC(=O)c1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214488873 815417349 /nfs/dbraw/zinc/41/73/49/815417349.db2.gz OTUHPVPNCYGDQT-UHFFFAOYSA-N -1 1 294.713 3.288 20 0 CGADMM C[C@H]1C[C@@H](NC(=O)c2cc([O-])cnc2Cl)CC(C)(C)C1 ZINC001195311895 811241207 /nfs/dbraw/zinc/24/12/07/811241207.db2.gz CPCYDCZSBCCIQR-VHSXEESVSA-N -1 1 296.798 3.385 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cnn(C(F)F)c1 ZINC001201745249 811955422 /nfs/dbraw/zinc/95/54/22/811955422.db2.gz YJPVQEOBYDZIQH-UHFFFAOYSA-N -1 1 261.178 3.006 20 0 CGADMM CCOc1ccc(-c2nc(-c3cccnc3C)no2)c([O-])c1 ZINC001215241349 815498290 /nfs/dbraw/zinc/49/82/90/815498290.db2.gz RZJCETYYTYKEJD-UHFFFAOYSA-N -1 1 297.314 3.211 20 0 CGADMM Cc1ccc(NC(=O)NCC(=O)c2ccc([O-])cc2)cc1C ZINC001202837046 812184274 /nfs/dbraw/zinc/18/42/74/812184274.db2.gz LRXJBZNONSDIBA-UHFFFAOYSA-N -1 1 298.342 3.013 20 0 CGADMM c1nocc1[N-]c1cc(CCc2ccccc2)no1 ZINC001203231329 812273996 /nfs/dbraw/zinc/27/39/96/812273996.db2.gz GYAQQHORMBVROF-UHFFFAOYSA-N -1 1 255.277 3.191 20 0 CGADMM COC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1F ZINC001215573482 815538213 /nfs/dbraw/zinc/53/82/13/815538213.db2.gz LAEZPCPXEVLUAT-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc3nnsc32)cc1F ZINC001215575623 815538836 /nfs/dbraw/zinc/53/88/36/815538836.db2.gz BNMAYRLPETWEPI-UHFFFAOYSA-N -1 1 279.271 3.419 20 0 CGADMM COc1cncc(Nc2ccc(F)c(F)c2[O-])c1C ZINC001215735282 815569227 /nfs/dbraw/zinc/56/92/27/815569227.db2.gz CMNIUMLSXDLDAA-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM CC(C)Cn1cc(Nc2cc([O-])c(F)c(F)c2)cn1 ZINC001205870606 813114849 /nfs/dbraw/zinc/11/48/49/813114849.db2.gz RKMVTRWGGUWIRG-UHFFFAOYSA-N -1 1 267.279 3.267 20 0 CGADMM CSc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c(C)c1 ZINC001206101512 813200892 /nfs/dbraw/zinc/20/08/92/813200892.db2.gz JHHXAKSJYNABOM-UHFFFAOYSA-N -1 1 297.379 3.196 20 0 CGADMM O=C(Nc1ccns1)Nc1ccc([O-])c(Cl)c1 ZINC001208362693 813756944 /nfs/dbraw/zinc/75/69/44/813756944.db2.gz VWVXPNXCYMMFGG-UHFFFAOYSA-N -1 1 269.713 3.146 20 0 CGADMM [O-]c1cc(F)c(Nc2cc(F)ccc2CO)cc1F ZINC001210183997 814324787 /nfs/dbraw/zinc/32/47/87/814324787.db2.gz OJRDLODTVKFLFG-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM COCc1cc(-c2cccc([O-])c2Cl)nc(SC)n1 ZINC001242797088 823135450 /nfs/dbraw/zinc/13/54/50/823135450.db2.gz GDOJTBKPTBLPRZ-UHFFFAOYSA-N -1 1 296.779 3.371 20 0 CGADMM CCCn1nccc1Nc1ccc(F)c(F)c1[O-] ZINC001210917926 814675684 /nfs/dbraw/zinc/67/56/84/814675684.db2.gz HKKAQGDRCRIBJS-UHFFFAOYSA-N -1 1 253.252 3.021 20 0 CGADMM Cc1noc(-c2ccc(-c3cccc([O-])c3Cl)nc2)n1 ZINC001242800585 823136688 /nfs/dbraw/zinc/13/66/88/823136688.db2.gz ICZSWATUZUGBOO-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CCCNC(=O)c1cccnc1-c1cccc([O-])c1Cl ZINC001242800619 823136517 /nfs/dbraw/zinc/13/65/17/823136517.db2.gz JDOBZIHGPQCVQX-UHFFFAOYSA-N -1 1 290.750 3.247 20 0 CGADMM COC(=O)c1ccccc1-c1cccc([O-])c1Cl ZINC001242799633 823136677 /nfs/dbraw/zinc/13/66/77/823136677.db2.gz VKAUAHHGZULWLQ-UHFFFAOYSA-N -1 1 262.692 3.499 20 0 CGADMM O=C1NCCN1c1cccc(-c2cccc([O-])c2Cl)c1 ZINC001242800735 823136958 /nfs/dbraw/zinc/13/69/58/823136958.db2.gz SDBUASACKNVDDP-UHFFFAOYSA-N -1 1 288.734 3.242 20 0 CGADMM O=c1ccc(-c2cccc([O-])c2Cl)cn1-c1ccncc1 ZINC001242801702 823137018 /nfs/dbraw/zinc/13/70/18/823137018.db2.gz DTFGDFIEVKUYIR-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM Cc1c2nc[nH]c2ncc1-c1cccc([O-])c1Cl ZINC001242801065 823137237 /nfs/dbraw/zinc/13/72/37/823137237.db2.gz SCDZOWCOEYBISN-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM [O-]c1cccc(-c2cc3c(nn2)CCCC3)c1Cl ZINC001242801745 823137275 /nfs/dbraw/zinc/13/72/75/823137275.db2.gz XLGLUOWDTJCVIN-UHFFFAOYSA-N -1 1 260.724 3.381 20 0 CGADMM CC(=O)Nc1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242801532 823137345 /nfs/dbraw/zinc/13/73/45/823137345.db2.gz VEGMCMVASZQFKB-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM C[C@@H]1Oc2ccc(-c3cc(F)c([O-])cc3F)cc2NC1=O ZINC001211339878 814882102 /nfs/dbraw/zinc/88/21/02/814882102.db2.gz QALXPDUTADTZRI-ZETCQYMHSA-N -1 1 291.253 3.057 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3ncncc32)cc1F ZINC001211338722 814882457 /nfs/dbraw/zinc/88/24/57/814882457.db2.gz IHRCQGRLHFDHRF-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCc1c(F)cncc1-c1cc(F)c([O-])cc1F ZINC001211349211 814883598 /nfs/dbraw/zinc/88/35/98/814883598.db2.gz ASHYETDXOJUYNW-UHFFFAOYSA-N -1 1 253.223 3.434 20 0 CGADMM CCOC(=O)c1cc(-c2cc(F)c([O-])cc2F)cnc1C ZINC001211350589 814883889 /nfs/dbraw/zinc/88/38/89/814883889.db2.gz UQEZTXCIIZBVLJ-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COC(=O)c1cc(C)ccc1-c1cc(F)c([O-])cc1F ZINC001211353035 814884200 /nfs/dbraw/zinc/88/42/00/814884200.db2.gz REOZRTAMTLJBHF-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM COC(=O)CCc1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211352269 814884571 /nfs/dbraw/zinc/88/45/71/814884571.db2.gz JXOOPVFFSQWHPL-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM Cc1ncn(C)c1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211484399 814895782 /nfs/dbraw/zinc/89/57/82/814895782.db2.gz WYKXJAGKBFWOFO-UHFFFAOYSA-N -1 1 299.252 3.189 20 0 CGADMM COCOc1ccccc1Nc1cc([O-])c(F)c(F)c1 ZINC001211564779 814909024 /nfs/dbraw/zinc/90/90/24/814909024.db2.gz VEJYOVOHXGNLOF-UHFFFAOYSA-N -1 1 281.258 3.397 20 0 CGADMM COc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1C(C)C ZINC001216002476 815657581 /nfs/dbraw/zinc/65/75/81/815657581.db2.gz SDCKXHZULVMCPV-UHFFFAOYSA-N -1 1 297.358 3.445 20 0 CGADMM CC(C)(C)c1nnc([N-]c2cc(F)cc(C(C)(C)O)c2)o1 ZINC001216487882 815839182 /nfs/dbraw/zinc/83/91/82/815839182.db2.gz BYVFKDFGHRDILG-UHFFFAOYSA-N -1 1 293.342 3.477 20 0 CGADMM CC(C)c1nnc([N-]c2cc(F)cc(C(C)(C)O)c2)o1 ZINC001216487879 815840104 /nfs/dbraw/zinc/84/01/04/815840104.db2.gz BSBHCHHGVLRPGR-UHFFFAOYSA-N -1 1 279.315 3.303 20 0 CGADMM Cc1cc(O)cc([O-])c1-c1nc(-c2ccccc2F)no1 ZINC001216988133 815905160 /nfs/dbraw/zinc/90/51/60/815905160.db2.gz PTVXYPGKBOLMHI-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM Nc1cccc(NC(=O)c2c([O-])ccc3ccccc32)c1 ZINC001218828603 816254176 /nfs/dbraw/zinc/25/41/76/816254176.db2.gz JUGXHSZMXNZYHF-UHFFFAOYSA-N -1 1 278.311 3.380 20 0 CGADMM CCCC1CCC(OCCCC[P@](=O)([O-])O)CC1 ZINC001225022387 816934326 /nfs/dbraw/zinc/93/43/26/816934326.db2.gz OIPQDZSSZUKUCT-UHFFFAOYSA-N -1 1 278.329 3.320 20 0 CGADMM C[C@@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)c1ccncc1 ZINC001226181765 817292236 /nfs/dbraw/zinc/29/22/36/817292236.db2.gz GRNVKJFXQVKFOS-GFCCVEGCSA-N -1 1 293.326 3.384 20 0 CGADMM C[C@@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)c1ccccn1 ZINC001226184907 817292877 /nfs/dbraw/zinc/29/28/77/817292877.db2.gz MOYWKPHMEKHKNC-GFCCVEGCSA-N -1 1 293.326 3.384 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H](C)c1cccc(F)c1F ZINC001226247543 817311280 /nfs/dbraw/zinc/31/12/80/817311280.db2.gz WXVFWJJSWTZMQK-ZETCQYMHSA-N -1 1 298.314 3.192 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H](C)c3ccccn3)c12 ZINC001226484885 817373191 /nfs/dbraw/zinc/37/31/91/817373191.db2.gz JITXZTPQSZJWLG-NSHDSACASA-N -1 1 297.310 3.342 20 0 CGADMM COc1ccc2cc([C@@H](C)Oc3cnc[n-]c3=O)ccc2c1 ZINC001227048867 817543621 /nfs/dbraw/zinc/54/36/21/817543621.db2.gz MOUYNXABUOGKDF-LLVKDONJSA-N -1 1 296.326 3.484 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@H]2CCOc3ccccc32)c1Cl ZINC001227110553 817559524 /nfs/dbraw/zinc/55/95/24/817559524.db2.gz AFCGJZNCDXWALP-NSHDSACASA-N -1 1 292.722 3.047 20 0 CGADMM COCC(=O)c1ccc([O-])cc1OC1C[C@@H](C)C[C@H](C)C1 ZINC001227168731 817578066 /nfs/dbraw/zinc/57/80/66/817578066.db2.gz MNWIRLZOFPEEEH-RYUDHWBXSA-N -1 1 292.375 3.425 20 0 CGADMM CC1=C(Oc2cc(Cl)c([O-])cc2Cl)C(=O)O[C@@H]1C ZINC001227641572 817685825 /nfs/dbraw/zinc/68/58/25/817685825.db2.gz PHQWPEPXLCZWKL-ZCFIWIBFSA-N -1 1 289.114 3.297 20 0 CGADMM [O-]c1cc(Cl)c(O[C@H]2CCn3ccnc32)cc1Cl ZINC001227641350 817686322 /nfs/dbraw/zinc/68/63/22/817686322.db2.gz MTYDKRXCICVHGL-JTQLQIEISA-N -1 1 285.130 3.419 20 0 CGADMM CSc1nc(O[C@H](C)c2cccs2)cc(=O)[n-]1 ZINC001228091181 817807973 /nfs/dbraw/zinc/80/79/73/817807973.db2.gz WCCGMMMJMGIWTA-SSDOTTSWSA-N -1 1 268.363 3.106 20 0 CGADMM C[C@@H](Oc1cnnc(=S)[n-]1)c1csc(Cl)c1 ZINC001228641702 817961651 /nfs/dbraw/zinc/96/16/51/817961651.db2.gz HMLWGXGDXSAYKL-RXMQYKEDSA-N -1 1 273.770 3.015 20 0 CGADMM C[C@@H](Oc1cccnc1-c1ncccc1[O-])c1ccccn1 ZINC001231199609 818056564 /nfs/dbraw/zinc/05/65/64/818056564.db2.gz FRTZJJKDDUZXNI-GFCCVEGCSA-N -1 1 293.326 3.384 20 0 CGADMM CC(=O)CN(C)Cc1ccccc1-c1ccccc1C(=O)[O-] ZINC001231675891 818156420 /nfs/dbraw/zinc/15/64/20/818156420.db2.gz SCNNWYQSOVQIEV-UHFFFAOYSA-N -1 1 297.354 3.073 20 0 CGADMM [O-]c1cc(CN2CCC[C@@H]2c2ncccn2)ccc1Cl ZINC001231735009 818163284 /nfs/dbraw/zinc/16/32/84/818163284.db2.gz IEPDPUHZCWNYQO-CYBMUJFWSA-N -1 1 289.766 3.173 20 0 CGADMM CC1(C)CN(Cc2ccc(Cl)c([O-])c2)CC(C)(C)O1 ZINC001231734793 818163371 /nfs/dbraw/zinc/16/33/71/818163371.db2.gz FBOVFFMAMPHVCJ-UHFFFAOYSA-N -1 1 283.799 3.435 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(F)c([O-])c2F)CC1(F)F ZINC001232930869 818475801 /nfs/dbraw/zinc/47/58/01/818475801.db2.gz FXPBORMJQWEWJX-MRVPVSSYSA-N -1 1 277.261 3.148 20 0 CGADMM C[C@@H]1c2cccn2CCN1Cc1ccc(F)c([O-])c1F ZINC001232937954 818476724 /nfs/dbraw/zinc/47/67/24/818476724.db2.gz XDTDWIFWJFGTCI-SNVBAGLBSA-N -1 1 278.302 3.049 20 0 CGADMM Cc1nc2c(s1)CN(Cc1ccc([S-])cc1)CC2 ZINC001233261480 818559141 /nfs/dbraw/zinc/55/91/41/818559141.db2.gz QSVSERYPWQRUJT-UHFFFAOYSA-N -1 1 276.430 3.299 20 0 CGADMM CCOC(=O)c1cc(-c2ccc([O-])c(F)c2F)ncc1C ZINC001243341928 823355554 /nfs/dbraw/zinc/35/55/54/823355554.db2.gz VTIXCXBHLFDDAR-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM Nc1cnc2c(cccc2-c2ccc([O-])c(F)c2F)c1 ZINC001243341017 823354467 /nfs/dbraw/zinc/35/44/67/823354467.db2.gz JNTHSBMCNUPJHP-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM CCCC[C@@H](C)Oc1c(=O)[n-]c(C(C)C)nc1C(=O)OC ZINC001234562356 818883017 /nfs/dbraw/zinc/88/30/17/818883017.db2.gz YNXVZLNVBPOAGH-SNVBAGLBSA-N -1 1 296.367 3.050 20 0 CGADMM Cc1c(Cl)c(-c2cc(N(C)C)ccn2)ccc1C(=O)[O-] ZINC001236113852 819326891 /nfs/dbraw/zinc/32/68/91/819326891.db2.gz OELPDBQFGVKUAZ-UHFFFAOYSA-N -1 1 290.750 3.475 20 0 CGADMM Cc1ccc(F)c(-c2cc(-c3ncc[nH]3)ccn2)c1[O-] ZINC001236392591 819449200 /nfs/dbraw/zinc/44/92/00/819449200.db2.gz UMSHIBMATUXWLE-UHFFFAOYSA-N -1 1 269.279 3.292 20 0 CGADMM C[C@H]1C(=O)Nc2cc(-c3cc(F)cc(F)c3[O-])ccc21 ZINC001243502966 823421579 /nfs/dbraw/zinc/42/15/79/823421579.db2.gz CNEXXSHGPCNNEQ-SSDOTTSWSA-N -1 1 275.254 3.393 20 0 CGADMM COc1cccc(F)c1-c1cc(F)cc(F)c1[O-] ZINC001243504307 823422157 /nfs/dbraw/zinc/42/21/57/823422157.db2.gz OCAKECXPXCFBCE-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)cc(F)c2[O-])c(OC)c1 ZINC001243504154 823422237 /nfs/dbraw/zinc/42/22/37/823422237.db2.gz JWVPOJUSOIVZCG-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cc(F)c2nccnc2c1 ZINC001243504171 823422474 /nfs/dbraw/zinc/42/24/74/823422474.db2.gz JYOJFZJOLFRPIJ-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM O=C1CCc2cc(-c3cc(F)cc(F)c3[O-])ccc2N1 ZINC001243504528 823422657 /nfs/dbraw/zinc/42/26/57/823422657.db2.gz QMLHFULAJCMHSX-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cnc(C(F)(F)F)nc1 ZINC001243503286 823422713 /nfs/dbraw/zinc/42/27/13/823422713.db2.gz UKBJIEUOBRHYMB-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM O=C1CCc2ccc(-c3cc(F)cc(F)c3[O-])cc2N1 ZINC001243504571 823423322 /nfs/dbraw/zinc/42/33/22/823423322.db2.gz RUNCHJFWBGVKPD-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM COc1c(F)ccc(-c2cc(F)cc(F)c2[O-])c1OC ZINC001243506933 823424815 /nfs/dbraw/zinc/42/48/15/823424815.db2.gz OOULHIBKXCGHQO-UHFFFAOYSA-N -1 1 284.233 3.494 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc2nccnc2c1 ZINC001243502957 823421340 /nfs/dbraw/zinc/42/13/40/823421340.db2.gz CIYCHBKXRRHXDK-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CC(=O)N1CCc2cc(-c3cc(F)cc(F)c3[O-])ccc21 ZINC001243502253 823421348 /nfs/dbraw/zinc/42/13/48/823421348.db2.gz IZKNQDZEHMXNMR-UHFFFAOYSA-N -1 1 289.281 3.246 20 0 CGADMM [O-]c1cc(-c2cnc3c(n2)CCCC3)ccc1Cl ZINC001243579873 823453684 /nfs/dbraw/zinc/45/36/84/823453684.db2.gz WIQMVMYGRRYUQH-UHFFFAOYSA-N -1 1 260.724 3.381 20 0 CGADMM NC(=O)c1cc(-c2ccc(Cl)c([O-])c2)cc2cc[nH]c21 ZINC001243581092 823454244 /nfs/dbraw/zinc/45/42/44/823454244.db2.gz BINHQYFZLGVLTK-UHFFFAOYSA-N -1 1 286.718 3.293 20 0 CGADMM C[S@@](=O)c1ccccc1-c1ccc(Cl)c([O-])c1 ZINC001243581291 823454387 /nfs/dbraw/zinc/45/43/87/823454387.db2.gz OCKIRAKYMHDQDW-QGZVFWFLSA-N -1 1 266.749 3.450 20 0 CGADMM O=c1cc(-c2ccc(Cl)c([O-])c2)ccn1-c1ccncc1 ZINC001243584903 823456231 /nfs/dbraw/zinc/45/62/31/823456231.db2.gz ZCOBJZYCGBXJHS-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM Cc1cc2[nH]cnc2cc1-c1ccc(C(=O)[O-])cc1F ZINC001239257347 820242948 /nfs/dbraw/zinc/24/29/48/820242948.db2.gz ZMBBPLKGDQMNGT-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM COc1cc(C)c(-c2ccc(C(F)(F)F)cc2[O-])nn1 ZINC001243605545 823464522 /nfs/dbraw/zinc/46/45/22/823464522.db2.gz CCDHOHJRTOCQRC-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM Cn1cnc2cnc(-c3ccc(C(F)(F)F)cc3[O-])cc21 ZINC001243609468 823466238 /nfs/dbraw/zinc/46/62/38/823466238.db2.gz VNFXJPRRHNZJBA-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM CC(C)(C)c1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1 ZINC001239607262 820452877 /nfs/dbraw/zinc/45/28/77/820452877.db2.gz WNNJWJJVNSILQU-UHFFFAOYSA-N -1 1 290.299 3.454 20 0 CGADMM CC(C)(C)c1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1 ZINC001239607262 820452879 /nfs/dbraw/zinc/45/28/79/820452879.db2.gz WNNJWJJVNSILQU-UHFFFAOYSA-N -1 1 290.299 3.454 20 0 CGADMM CC(C)c1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1 ZINC001239626977 820473412 /nfs/dbraw/zinc/47/34/12/820473412.db2.gz WXSYKPXHYWZWFR-UHFFFAOYSA-N -1 1 276.272 3.280 20 0 CGADMM CC(C)c1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1 ZINC001239626977 820473417 /nfs/dbraw/zinc/47/34/17/820473417.db2.gz WXSYKPXHYWZWFR-UHFFFAOYSA-N -1 1 276.272 3.280 20 0 CGADMM Cc1cc(-c2cc(F)ccc2[O-])nc(-c2ccccn2)n1 ZINC001240696048 821251874 /nfs/dbraw/zinc/25/18/74/821251874.db2.gz XIXCZYWOXMBIMA-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM Cc1[nH]c2ncnc(-c3ccc([O-])c(F)c3)c2c1C ZINC001240781639 821321466 /nfs/dbraw/zinc/32/14/66/821321466.db2.gz DGCFNDQYKSIADO-UHFFFAOYSA-N -1 1 257.268 3.086 20 0 CGADMM C=Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001240829480 821359502 /nfs/dbraw/zinc/35/95/02/821359502.db2.gz LANYCHBCCBEVAZ-UHFFFAOYSA-N -1 1 277.320 3.270 20 0 CGADMM Cc1nc2cc(-c3ccc(C(=O)[O-])s3)ccc2[nH]1 ZINC001240846481 821366570 /nfs/dbraw/zinc/36/65/70/821366570.db2.gz CPAUTSIDXLGCAR-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM [O-]c1cc(F)c(-c2ccnc(C(F)(F)F)n2)c(F)c1 ZINC001241117771 821572848 /nfs/dbraw/zinc/57/28/48/821572848.db2.gz YAJYGTJINHYYTO-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)[C@@H](O)CCO3)c(F)c1 ZINC001241121017 821576877 /nfs/dbraw/zinc/57/68/77/821576877.db2.gz YLMMXPOWQRIYBK-ZDUSSCGKSA-N -1 1 278.254 3.153 20 0 CGADMM COc1cc(OC)cc(-c2c(F)cc([O-])cc2F)c1 ZINC001241122026 821579213 /nfs/dbraw/zinc/57/92/13/821579213.db2.gz IYPDKDCCCWQGSG-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3cncnc3c2)c(F)c1 ZINC001241122774 821579891 /nfs/dbraw/zinc/57/98/91/821579891.db2.gz YKLKPZNMHITXRN-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COC(=O)c1cccc(F)c1-c1c(F)cc([O-])cc1F ZINC001241123270 821580475 /nfs/dbraw/zinc/58/04/75/821580475.db2.gz YSOLYRGXKVXZPE-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM O=C([O-])c1ccc(-c2cc3nc[nH]c3cc2F)cc1F ZINC001241187441 821625397 /nfs/dbraw/zinc/62/53/97/821625397.db2.gz PFJAJZGAEXLMHQ-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(-c3ccco3)nn2)c1F ZINC001241290013 821706701 /nfs/dbraw/zinc/70/67/01/821706701.db2.gz JDOCHNRDJXLXLQ-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM Cc1cc(-c2cc(C(F)(F)F)ccc2[O-])nc(C)n1 ZINC001242125981 822886726 /nfs/dbraw/zinc/88/67/26/822886726.db2.gz DNQIFVYHOVLMLN-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM Cc1cc(-c2cc(C(F)(F)F)ccc2[O-])ncn1 ZINC001242126437 822886960 /nfs/dbraw/zinc/88/69/60/822886960.db2.gz LCGZMRRBTFZXCS-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM Cc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)c(N)c1 ZINC001242152329 822896227 /nfs/dbraw/zinc/89/62/27/822896227.db2.gz CTYUEYOCRRTKOY-UHFFFAOYSA-N -1 1 268.238 3.364 20 0 CGADMM COCOc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC001242151245 822896295 /nfs/dbraw/zinc/89/62/95/822896295.db2.gz IJJSXVJJVYLMQG-UHFFFAOYSA-N -1 1 299.248 3.456 20 0 CGADMM COCc1ccc(F)c(-c2ccc(F)cc2[O-])c1 ZINC001242218692 822915807 /nfs/dbraw/zinc/91/58/07/822915807.db2.gz LHJFIYUQJWTQAO-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM [O-]c1cc(F)ccc1-c1cn2ncnc2cc1C(F)(F)F ZINC001242220799 822916740 /nfs/dbraw/zinc/91/67/40/822916740.db2.gz AVVLJVGXNCYTIH-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM Cc1cc2nc[nH]c2cc1-c1cccc(CC(=O)[O-])c1 ZINC001242264092 822930181 /nfs/dbraw/zinc/93/01/81/822930181.db2.gz SXJLPJHRYGZQGC-UHFFFAOYSA-N -1 1 266.300 3.165 20 0 CGADMM Cc1cccc(-c2nccc(-c3ccco3)n2)c1[O-] ZINC001242344638 822957781 /nfs/dbraw/zinc/95/77/81/822957781.db2.gz RKMSLYYRGRKJFE-UHFFFAOYSA-N -1 1 252.273 3.418 20 0 CGADMM [O-]c1c(F)cccc1-c1cnc(OCC2CCC2)nc1 ZINC001242353397 822962508 /nfs/dbraw/zinc/96/25/08/822962508.db2.gz OEBHJWQMMIQUQH-UHFFFAOYSA-N -1 1 274.295 3.167 20 0 CGADMM O=C1OCc2ccc(-c3cccc(Cl)c3[O-])cc21 ZINC001242366061 822968971 /nfs/dbraw/zinc/96/89/71/822968971.db2.gz FSATYGWIWGNUPI-UHFFFAOYSA-N -1 1 260.676 3.383 20 0 CGADMM COCCOc1cncc(-c2cccc(Cl)c2[O-])c1 ZINC001242367668 822969541 /nfs/dbraw/zinc/96/95/41/822969541.db2.gz PMZBJKQEMWCTQO-UHFFFAOYSA-N -1 1 279.723 3.133 20 0 CGADMM COc1ccc(C(=O)[O-])cc1-c1ccc2nc[nH]c2c1C ZINC001242391204 822979230 /nfs/dbraw/zinc/97/92/30/822979230.db2.gz YBHFSEPGYCACRB-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM Cc1noc([N-][C@@H](C)c2nc(C(C)(C)C)cs2)n1 ZINC001347981482 936905054 /nfs/dbraw/zinc/90/50/54/936905054.db2.gz SQSAGOKSEILPSM-ZETCQYMHSA-N -1 1 266.370 3.305 20 0 CGADMM O=C(NC[C@@H]1C[C@@H]1C1CCCC1)c1c(F)ccc([O-])c1F ZINC001348705705 936930966 /nfs/dbraw/zinc/93/09/66/936930966.db2.gz NUZFGPIMQZJVRN-WDEREUQCSA-N -1 1 295.329 3.227 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1)c1ccc([O-])cc1F ZINC000232385311 928207891 /nfs/dbraw/zinc/20/78/91/928207891.db2.gz OYXFYKPTORNIRG-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM CCC[C@@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)C(C)C ZINC001436672244 937285486 /nfs/dbraw/zinc/28/54/86/937285486.db2.gz YGFPZJIJTFWPSS-LLVKDONJSA-N -1 1 291.395 3.072 20 0 CGADMM CCN(C(=O)c1ccc(F)c([O-])c1)c1ccc(OC)cc1 ZINC001441081705 937336622 /nfs/dbraw/zinc/33/66/22/937336622.db2.gz HFNWMHPPQYRNCR-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM O=C(c1cccc([O-])c1F)N(C1CC1)C1CCCCC1 ZINC001442055658 937340720 /nfs/dbraw/zinc/34/07/20/937340720.db2.gz VXWJPCWXLKLFDN-UHFFFAOYSA-N -1 1 277.339 3.469 20 0 CGADMM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1ccc([O-])cn1 ZINC001442751510 937344112 /nfs/dbraw/zinc/34/41/12/937344112.db2.gz BBVCDFWYFGKHPY-JSGCOSHPSA-N -1 1 290.407 3.370 20 0 CGADMM O=C(N[C@H](CC1CC1)c1ccccc1)c1ccc([O-])cn1 ZINC001444233937 937351630 /nfs/dbraw/zinc/35/16/30/937351630.db2.gz MXQALTLOJXLZIF-MRXNPFEDSA-N -1 1 282.343 3.058 20 0 CGADMM CCS[C@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2F)C1 ZINC001445324061 937356699 /nfs/dbraw/zinc/35/66/99/937356699.db2.gz IVKWOSILIGJPOI-MNOVXSKESA-N -1 1 297.395 3.325 20 0 CGADMM Cc1nc2c(cccc2NC(=O)c2cc(F)ccc2[O-])o1 ZINC001449469156 937379280 /nfs/dbraw/zinc/37/92/80/937379280.db2.gz QRHXMOMIXRMYGF-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM Nc1c(Cl)cccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001449452818 937379545 /nfs/dbraw/zinc/37/95/45/937379545.db2.gz HUGIOOVZVLFGGI-UHFFFAOYSA-N -1 1 298.676 3.158 20 0 CGADMM C/C(=C/c1cccnc1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001449442643 937379807 /nfs/dbraw/zinc/37/98/07/937379807.db2.gz BHIMGIZVYNHGBS-CLFYSBASSA-N -1 1 290.269 3.107 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cc2c([nH]1)CCCC2 ZINC001451753389 937392087 /nfs/dbraw/zinc/39/20/87/937392087.db2.gz JOIVQJTVGSNWIM-UHFFFAOYSA-N -1 1 292.285 3.130 20 0 CGADMM CCN(C(=O)c1cc(C)cc(C=O)c1[O-])[C@H](C)C(C)C ZINC001450700078 937386944 /nfs/dbraw/zinc/38/69/44/937386944.db2.gz LOCRZEVBECLIOJ-GFCCVEGCSA-N -1 1 277.364 3.020 20 0 CGADMM Cc1cccc(C(=O)Nc2ccc3c(c2)CCCC3=O)c1[O-] ZINC001452163350 937394299 /nfs/dbraw/zinc/39/42/99/937394299.db2.gz LAZVOQZBWUDGIR-UHFFFAOYSA-N -1 1 295.338 3.472 20 0 CGADMM Cc1cnc(Cl)cc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001457757938 937445620 /nfs/dbraw/zinc/44/56/20/937445620.db2.gz CRRPGDPDNJJWEI-UHFFFAOYSA-N -1 1 298.129 3.050 20 0 CGADMM O=c1nc(Cl)cc(Oc2cc(F)cc(Cl)c2)[n-]1 ZINC001458520339 937467340 /nfs/dbraw/zinc/46/73/40/937467340.db2.gz XAVFZQGZWRASEH-UHFFFAOYSA-N -1 1 275.066 3.420 20 0 CGADMM O=c1cc(O[C@H]2CCc3cc(Cl)ccc32)[nH]c(=S)[n-]1 ZINC001225765542 932039528 /nfs/dbraw/zinc/03/95/28/932039528.db2.gz MTEHUQUSJSBLKS-JTQLQIEISA-N -1 1 294.763 3.191 20 0 CGADMM CC[C@H](C)[C@@H](C)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229216730 932117327 /nfs/dbraw/zinc/11/73/27/932117327.db2.gz UFBLGWYZFLXKBA-VHSXEESVSA-N -1 1 292.331 3.321 20 0 CGADMM CC(C)Oc1cccnc1NCc1ccc([O-])c(F)c1F ZINC001462105901 937618128 /nfs/dbraw/zinc/61/81/28/937618128.db2.gz PXNBZMLDCUPARY-UHFFFAOYSA-N -1 1 294.301 3.465 20 0 CGADMM Cc1ccc(CN(C)Cc2ccc([O-])c(F)c2F)nc1 ZINC001462181028 937623331 /nfs/dbraw/zinc/62/33/31/937623331.db2.gz MXZYFCCCKXSTMH-UHFFFAOYSA-N -1 1 278.302 3.006 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H]2C[C@H]3CCC[C@@H]3O2)n1 ZINC001307254298 932933698 /nfs/dbraw/zinc/93/36/98/932933698.db2.gz ZCRMGEQNAYHKEN-WXHSDQCUSA-N -1 1 294.420 3.184 20 0 CGADMM C[C@@H](c1ccc(C(=O)Nc2c[n-][nH]c2=O)cc1)C(F)(F)F ZINC001413842186 933306864 /nfs/dbraw/zinc/30/68/64/933306864.db2.gz DCBGEFHAUYSYMU-ZETCQYMHSA-N -1 1 299.252 3.033 20 0 CGADMM CN(Cc1ccccc1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001463663334 937679087 /nfs/dbraw/zinc/67/90/87/937679087.db2.gz ZKCYOWUOXVDDEQ-UHFFFAOYSA-N -1 1 289.762 3.247 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](C)CCCC(C)C)c1 ZINC001463949197 937683755 /nfs/dbraw/zinc/68/37/55/937683755.db2.gz QMGFXWZBQJQZLI-CYBMUJFWSA-N -1 1 291.391 3.458 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@@H](c2ccccc2)C1 ZINC001464520797 937691875 /nfs/dbraw/zinc/69/18/75/937691875.db2.gz MMODSRJDKSSVNL-CQSZACIVSA-N -1 1 285.318 3.161 20 0 CGADMM O=C(Nc1ccc2ncsc2c1)c1ccc(F)c([O-])c1 ZINC001464643288 937693470 /nfs/dbraw/zinc/69/34/70/937693470.db2.gz KRTZYBKLRLLVCU-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM CCCC[C@H]1CCC[C@H]1NC(=O)c1ncc(C)cc1[O-] ZINC001464795880 937695542 /nfs/dbraw/zinc/69/55/42/937695542.db2.gz XVNLAYWYBBUKTR-QWHCGFSZSA-N -1 1 276.380 3.184 20 0 CGADMM Cc1cc(NC(=O)c2ccccc2[O-])ccc1-n1ccnc1 ZINC001464823121 937696197 /nfs/dbraw/zinc/69/61/97/937696197.db2.gz DIVIPVJVGDXUKH-UHFFFAOYSA-N -1 1 293.326 3.139 20 0 CGADMM Cc1ncc(C)c(NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC001466720607 937711890 /nfs/dbraw/zinc/71/18/90/937711890.db2.gz LITLEKYNSHBFMQ-UHFFFAOYSA-N -1 1 292.726 3.096 20 0 CGADMM CCCN1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1O ZINC001319530382 933889060 /nfs/dbraw/zinc/88/90/60/933889060.db2.gz WIMPKNASDHFUKB-ZDUSSCGKSA-N -1 1 296.798 3.249 20 0 CGADMM COc1cc(C(=O)Nc2ccc([O-])c(F)c2F)ccc1F ZINC001468002920 937723584 /nfs/dbraw/zinc/72/35/84/937723584.db2.gz CZPBNQCLSPZAJT-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM O=C(/C=C/C=C(Cl)Cl)Nc1ccc([O-])c(F)c1F ZINC001468002975 937723888 /nfs/dbraw/zinc/72/38/88/937723888.db2.gz DMWGBAHYFQLYIO-HNQUOIGGSA-N -1 1 294.084 3.484 20 0 CGADMM CCOc1ccc(Cl)c(NC(=O)c2cncc([O-])c2)c1 ZINC001468243353 937725764 /nfs/dbraw/zinc/72/57/64/937725764.db2.gz JEXWAXIZLSWQGU-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM CCC1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001468282711 937726508 /nfs/dbraw/zinc/72/65/08/937726508.db2.gz UWRMHUXYPNSZEB-UHFFFAOYSA-N -1 1 273.254 3.083 20 0 CGADMM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]Oc1ccc(F)cc1 ZINC001469938153 937746187 /nfs/dbraw/zinc/74/61/87/937746187.db2.gz UYVIJKHYGMEWMV-NSHDSACASA-N -1 1 291.297 3.254 20 0 CGADMM O=C(NCC1CCC2(CC2)CC1)c1ccc([O-])c(F)c1 ZINC001470731391 937756798 /nfs/dbraw/zinc/75/67/98/937756798.db2.gz FXQGWUHOHSEJLV-UHFFFAOYSA-N -1 1 277.339 3.232 20 0 CGADMM O=C([N-]c1cc(F)c(F)cc1F)c1ncc(Cl)s1 ZINC001322378417 934289766 /nfs/dbraw/zinc/28/97/66/934289766.db2.gz JIVUQJASCRXXGP-UHFFFAOYSA-N -1 1 292.669 3.466 20 0 CGADMM CC(C)n1cc(Cl)c(NC(=O)c2ccccc2[O-])n1 ZINC001471936204 937770634 /nfs/dbraw/zinc/77/06/34/937770634.db2.gz BTESBQMKQXZJIY-UHFFFAOYSA-N -1 1 279.727 3.075 20 0 CGADMM CC1(C)C[C@H]1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001324492233 934514211 /nfs/dbraw/zinc/51/42/11/934514211.db2.gz VMUIEEVTTXSJDE-QMMMGPOBSA-N -1 1 284.153 3.139 20 0 CGADMM CC1(C)C(C)(C)C1(C)C(=O)[N-]OCCOc1ccccc1 ZINC001472341841 937775830 /nfs/dbraw/zinc/77/58/30/937775830.db2.gz NNRXLOWVLKDJHG-UHFFFAOYSA-N -1 1 291.391 3.186 20 0 CGADMM C[C@H]1Cc2cc(C(=O)Nc3ccc(F)cc3[O-])ccc2O1 ZINC001472533761 937777250 /nfs/dbraw/zinc/77/72/50/937777250.db2.gz AHCYJEMDWQPVDY-VIFPVBQESA-N -1 1 287.290 3.107 20 0 CGADMM CC(C)O[N-]C(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC001328152448 935120246 /nfs/dbraw/zinc/12/02/46/935120246.db2.gz XIPFUXVEGWHSBH-SECBINFHSA-N -1 1 275.270 3.265 20 0 CGADMM CC(C)(C)CC[C@H](NCc1cc2cccnc2o1)C(=O)[O-] ZINC001331931653 935423356 /nfs/dbraw/zinc/42/33/56/935423356.db2.gz JBZUJFOKDZDQKT-ZDUSSCGKSA-N -1 1 290.363 3.197 20 0 CGADMM O=C([O-])CC1CC(N[C@H](c2ccco2)c2ccccc2)C1 ZINC001331967140 935428477 /nfs/dbraw/zinc/42/84/77/935428477.db2.gz FQFNJBSAJKPNJZ-AJUCZRQESA-N -1 1 285.343 3.212 20 0 CGADMM CCCCN(C(=O)c1cnncc1[O-])[C@H]1CCC[C@@H](C)C1 ZINC001335971782 936169416 /nfs/dbraw/zinc/16/94/16/936169416.db2.gz XPDSIMYBHFBDRF-OLZOCXBDSA-N -1 1 291.395 3.003 20 0 CGADMM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC001475486898 937883740 /nfs/dbraw/zinc/88/37/40/937883740.db2.gz CDSHXHXCOSBHJY-SECBINFHSA-N -1 1 291.363 3.068 20 0 CGADMM CCCCCC[C@@H](C)C(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC001525797049 938051600 /nfs/dbraw/zinc/05/16/00/938051600.db2.gz HFJLVXJYDUEGMQ-LLVKDONJSA-N -1 1 295.383 3.131 20 0 CGADMM CCCCCC[C@@H](C)C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001525797049 938051601 /nfs/dbraw/zinc/05/16/01/938051601.db2.gz HFJLVXJYDUEGMQ-LLVKDONJSA-N -1 1 295.383 3.131 20 0 CGADMM Cc1cccc(CNC(=O)c2ncc3ccccc3c2[O-])c1 ZINC001540707346 938133235 /nfs/dbraw/zinc/13/32/35/938133235.db2.gz FXACZZSFQMFZPC-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1F ZINC001545336376 938149364 /nfs/dbraw/zinc/14/93/64/938149364.db2.gz XEXPLUKQRKSBNX-DGCLKSJQSA-N -1 1 297.395 3.325 20 0 CGADMM O=C(Nc1cccc2cc[nH]c21)c1ccc(F)c([O-])c1 ZINC001556298075 938203038 /nfs/dbraw/zinc/20/30/38/938203038.db2.gz ZNXVIDVAYZKEHJ-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM CC(C)=CCC[C@H](C)NC(=O)c1c([O-])cccc1F ZINC001556673398 938205116 /nfs/dbraw/zinc/20/51/16/938205116.db2.gz YEMIJWWVOSKTNG-NSHDSACASA-N -1 1 265.328 3.396 20 0 CGADMM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC001556827862 938205878 /nfs/dbraw/zinc/20/58/78/938205878.db2.gz YQMZOXGADNLTHS-BQYQJAHWSA-N -1 1 291.738 3.119 20 0 CGADMM C[C@]1(CNC(=O)c2cc3ccccc3cc2[O-])CCCCO1 ZINC001558627768 938216722 /nfs/dbraw/zinc/21/67/22/938216722.db2.gz KRVPVTUWUBTBFC-GOSISDBHSA-N -1 1 299.370 3.234 20 0 CGADMM CC(C)n1ccc(C(=O)Nc2cc(F)c([O-])cc2Cl)n1 ZINC001558644112 938216791 /nfs/dbraw/zinc/21/67/91/938216791.db2.gz VEIPSJPBKLLEFS-UHFFFAOYSA-N -1 1 297.717 3.214 20 0 CGADMM O=C([O-])CC[C@H]1CCCCN1C/C(Cl)=C\Cl ZINC000227492167 949601397 /nfs/dbraw/zinc/60/13/97/949601397.db2.gz NXSOYFWDTHZANA-TTZKWOQHSA-N -1 1 266.168 3.025 20 0 CGADMM O=C([O-])c1ccccc1CNCc1ccc(F)cc1Cl ZINC000313031779 950780551 /nfs/dbraw/zinc/78/05/51/950780551.db2.gz QBIWWKUFLYRKMN-UHFFFAOYSA-N -1 1 293.725 3.467 20 0 CGADMM O=C([O-])CCCCCNCc1c(Cl)ccnc1Cl ZINC001595037538 951409221 /nfs/dbraw/zinc/40/92/21/951409221.db2.gz CJYWYFHVKVYQLZ-UHFFFAOYSA-N -1 1 291.178 3.123 20 0 CGADMM C[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1cccc(O)c1 ZINC000383990236 971905762 /nfs/dbraw/zinc/90/57/62/971905762.db2.gz UPWFIZMEXRKSOC-SNVBAGLBSA-N -1 1 289.306 3.080 20 0 CGADMM C[C@](NCc1ccccc1F)(C(=O)[O-])c1ccc(F)cc1 ZINC000041762459 957394244 /nfs/dbraw/zinc/39/42/44/957394244.db2.gz AFIJPGAKINDTPN-MRXNPFEDSA-N -1 1 291.297 3.054 20 0 CGADMM COc1ccccc1CN(C)Cc1cccc(C(=O)[O-])c1 ZINC000048894553 957469053 /nfs/dbraw/zinc/46/90/53/957469053.db2.gz PJLHKJXPTSAYCB-UHFFFAOYSA-N -1 1 285.343 3.025 20 0 CGADMM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1cc2ccccc2o1 ZINC001594215906 959329962 /nfs/dbraw/zinc/32/99/62/959329962.db2.gz LKOCFXRCGMKNMM-BXUZGUMPSA-N -1 1 273.332 3.260 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(F)c(Cl)c1 ZINC000235828509 960506427 /nfs/dbraw/zinc/50/64/27/960506427.db2.gz CGJDHORHUTXBRK-UHFFFAOYSA-N -1 1 297.713 3.369 20 0 CGADMM C[C@@H](c1cccc(Cl)c1F)N1CCC[C@@H](C(=O)[O-])C1 ZINC001603286161 972522764 /nfs/dbraw/zinc/52/27/64/972522764.db2.gz DBVHMQXBCAYFMS-VHSXEESVSA-N -1 1 285.746 3.337 20 0 CGADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C1CCCCCC1 ZINC001567420490 961319192 /nfs/dbraw/zinc/31/91/92/961319192.db2.gz RDVMOPJMXPGYOM-GFCCVEGCSA-N -1 1 289.375 3.050 20 0 CGADMM CCCC[C@@H](C)N(C)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001570051716 961897140 /nfs/dbraw/zinc/89/71/40/961897140.db2.gz VZRBAZSNEAKAAA-GFCCVEGCSA-N -1 1 277.364 3.164 20 0 CGADMM C[C@H](C(=O)Nc1cc(F)cc(F)c1[O-])c1ccco1 ZINC001570464402 961966673 /nfs/dbraw/zinc/96/66/73/961966673.db2.gz ALMPPUZLUUGRJR-ZETCQYMHSA-N -1 1 267.231 3.006 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001583401376 962801078 /nfs/dbraw/zinc/80/10/78/962801078.db2.gz DUSVHZGSZSJUKJ-OLZOCXBDSA-N -1 1 298.386 3.497 20 0 CGADMM O=C(Nc1ccc(Cl)c2ncccc12)c1ccc([O-])cn1 ZINC001584134746 962890760 /nfs/dbraw/zinc/89/07/60/962890760.db2.gz MJRBWLLRTDHNRO-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM Cc1cccc2c1CCCN2C(=O)c1ccc([O-])cc1F ZINC001585917418 963055633 /nfs/dbraw/zinc/05/56/33/963055633.db2.gz ZLJAIGISUNIKRX-UHFFFAOYSA-N -1 1 285.318 3.433 20 0 CGADMM CC[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccncc1 ZINC001586674902 963129421 /nfs/dbraw/zinc/12/94/21/963129421.db2.gz LOVQKRUSJPEGNY-ZDUSSCGKSA-N -1 1 290.750 3.322 20 0 CGADMM O=C(NCCCC1CCCC1)c1cccc([O-])c1F ZINC001586758158 963138875 /nfs/dbraw/zinc/13/88/75/963138875.db2.gz AZVOQWAEPCPEAO-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM C[C@H](N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccco1 ZINC001589123529 963340922 /nfs/dbraw/zinc/34/09/22/963340922.db2.gz LIXXCQWUWIIKTQ-GDLCADMTSA-N -1 1 271.316 3.243 20 0 CGADMM Cc1c(C(=O)[O-])cc(CN[C@@H](C)c2ccccc2F)n1C ZINC000313999666 963698009 /nfs/dbraw/zinc/69/80/09/963698009.db2.gz JOTJUXVVZDAPIJ-JTQLQIEISA-N -1 1 290.338 3.022 20 0 CGADMM C[C@@H]1c2ccc(Cl)n2CCN1CCC1(C(=O)[O-])CCC1 ZINC001589416995 963986023 /nfs/dbraw/zinc/98/60/23/963986023.db2.gz BRFIODMDSUUDCH-LLVKDONJSA-N -1 1 296.798 3.163 20 0 CGADMM CN(CCC1(C(=O)[O-])CCC1)Cc1c(F)cccc1F ZINC001604150821 972558721 /nfs/dbraw/zinc/55/87/21/972558721.db2.gz LSJCIKAWCFXZND-UHFFFAOYSA-N -1 1 283.318 3.042 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN(C)[C@H](C)c1ccncc1 ZINC000394954639 972767748 /nfs/dbraw/zinc/76/77/48/972767748.db2.gz MGYXBQTXXZEJMN-SNVBAGLBSA-N -1 1 290.388 3.343 20 0 CGADMM C[C@H](CC(C)(C)CC(=O)[O-])N[C@@H]1CCCC1(F)F ZINC001592446801 978128303 /nfs/dbraw/zinc/12/83/03/978128303.db2.gz RLKYYGDEKUFULK-NXEZZACHSA-N -1 1 263.328 3.043 20 0 CGADMM CC[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1ccncc1 ZINC001595299664 980429453 /nfs/dbraw/zinc/42/94/53/980429453.db2.gz BFGWOBJMXNMVCX-YVACAVLKSA-N -1 1 286.331 3.013 20 0 CGADMM CCN(Cc1ccc(C(=O)[O-])[nH]1)[C@H](C)c1cccc(O)c1 ZINC001596357409 983827213 /nfs/dbraw/zinc/82/72/13/983827213.db2.gz FDTCBWRSWJQRFJ-LLVKDONJSA-N -1 1 288.347 3.002 20 0 CGADMM C[C@H](NCc1ccc(C(=O)[O-])cc1F)c1cccs1 ZINC001599901280 984833428 /nfs/dbraw/zinc/83/34/28/984833428.db2.gz GPPZPRMBEBUASQ-VIFPVBQESA-N -1 1 279.336 3.436 20 0 CGADMM C[C@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccccc1Cl ZINC001599901659 984844180 /nfs/dbraw/zinc/84/41/80/984844180.db2.gz UJQYGNLHSBYIKQ-JTQLQIEISA-N -1 1 292.766 3.228 20 0 CGADMM Cc1[nH]c(CNCc2ccc(C(C)(C)C)o2)cc1C(=O)[O-] ZINC001599963548 985847735 /nfs/dbraw/zinc/84/77/35/985847735.db2.gz NVAWCPSWGGCFGC-UHFFFAOYSA-N -1 1 290.363 3.202 20 0 CGADMM CC[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccccc1F ZINC001597349785 987488939 /nfs/dbraw/zinc/48/89/39/987488939.db2.gz ZITZHJSXXOHJIT-LSDHHAIUSA-N -1 1 288.322 3.087 20 0 CGADMM CSc1ccc(F)cc1CNCc1ccoc1C(=O)[O-] ZINC001599814202 988392232 /nfs/dbraw/zinc/39/22/32/988392232.db2.gz HVCZFIHMKIZNKL-UHFFFAOYSA-N -1 1 295.335 3.129 20 0 CGADMM CC(C)[C@H]1CCCN([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591086752 991603948 /nfs/dbraw/zinc/60/39/48/991603948.db2.gz DQSHUOYNHJKFDW-MNOVXSKESA-N -1 1 282.409 3.270 20 0 CGADMM CC(C)N(Cc1cc(C(=O)[O-])no1)[C@@H](C)c1ccsc1 ZINC001591597002 992826829 /nfs/dbraw/zinc/82/68/29/992826829.db2.gz VPNDIPIZBKIIAR-JTQLQIEISA-N -1 1 294.376 3.406 20 0 CGADMM C[C@@H](N[C@@H](C)c1nc(C(=O)[O-])co1)[C@@H](C)c1ccccc1 ZINC001593195734 994148891 /nfs/dbraw/zinc/14/88/91/994148891.db2.gz FBXFAPNAXHFUHW-UTUOFQBUSA-N -1 1 288.347 3.216 20 0 CGADMM C[C@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1ccsc1 ZINC001593199676 994179980 /nfs/dbraw/zinc/17/99/80/994179980.db2.gz YHSWEXBDWIMIKM-IUCAKERBSA-N -1 1 265.334 3.451 20 0 CGADMM C[C@@H](N[C@H](C)c1cc(C(=O)[O-])cs1)c1ccns1 ZINC001593204207 994198172 /nfs/dbraw/zinc/19/81/72/994198172.db2.gz ODBIMLBHDAQXIL-HTQZYQBOSA-N -1 1 282.390 3.315 20 0 CGADMM C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccccc1OCC(=O)[O-] ZINC001593354219 994988729 /nfs/dbraw/zinc/98/87/29/994988729.db2.gz LFSAMBGQPNCMKT-IACUBPJLSA-N -1 1 295.354 3.081 20 0 CGADMM C[C@@H](N[C@H](C)C1CCCCCC1)c1nc(C(=O)[O-])co1 ZINC001593354435 994991514 /nfs/dbraw/zinc/99/15/14/994991514.db2.gz PVNPOAQLDBMYGE-GHMZBOCLSA-N -1 1 280.368 3.382 20 0 CGADMM C[C@@H](c1ccccc1)N(Cc1oncc1C(=O)[O-])C1CC1 ZINC001593711545 996212246 /nfs/dbraw/zinc/21/22/46/996212246.db2.gz VGWYYLRACVTZER-NSHDSACASA-N -1 1 286.331 3.098 20 0 CGADMM COc1ccc([C@H](C)N[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001599510649 997292386 /nfs/dbraw/zinc/29/23/86/997292386.db2.gz SMCVURNWVIALBF-WDEREUQCSA-N -1 1 289.331 3.398 20 0 CGADMM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1cc2c(cn1)CCCC2 ZINC001594184380 998715179 /nfs/dbraw/zinc/71/51/79/998715179.db2.gz JQDROLDYBDGPQK-LALPHHSUSA-N -1 1 288.391 3.262 20 0 CGADMM CN(C[C@H]1CC1(C)C)C(=O)c1cc(Cl)ccc1[O-] ZINC000621055380 349455497 /nfs/dbraw/zinc/45/54/97/349455497.db2.gz XKJXQZJQAQYJTE-SECBINFHSA-N -1 1 267.756 3.164 20 0 CGADMM CC(C)(O)C1CCC(C(=O)Nc2c([O-])cccc2F)CC1 ZINC000651586346 398256121 /nfs/dbraw/zinc/25/61/21/398256121.db2.gz YIVFZMWEHOJWGQ-UHFFFAOYSA-N -1 1 295.354 3.047 20 0 CGADMM CCCC1(CN=c2nc([C@H](C)OC)[n-]s2)CCC1 ZINC000337786008 214260333 /nfs/dbraw/zinc/26/03/33/214260333.db2.gz BJKVCPOYEAZHCA-JTQLQIEISA-N -1 1 269.414 3.050 20 0 CGADMM CSCC1CCC(NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000590769060 346873089 /nfs/dbraw/zinc/87/30/89/346873089.db2.gz RLMPXDQSEWKNLA-UHFFFAOYSA-N -1 1 297.395 3.183 20 0 CGADMM CC(C)CCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000622274483 349666454 /nfs/dbraw/zinc/66/64/54/349666454.db2.gz MEZRBZUKSYXHKN-UHFFFAOYSA-N -1 1 275.270 3.187 20 0 CGADMM COCC1(NC(=O)c2cc3ccccc3cc2[O-])CCCC1 ZINC000622747062 349699440 /nfs/dbraw/zinc/69/94/40/349699440.db2.gz UXIQCWRMSANVEV-UHFFFAOYSA-N -1 1 299.370 3.234 20 0 CGADMM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ncc(C)cc1[O-] ZINC000427254975 529541871 /nfs/dbraw/zinc/54/18/71/529541871.db2.gz BQPCGMBEYFATLB-HNNXBMFYSA-N -1 1 298.386 3.189 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ncc(C(C)(C)C)o2)n1 ZINC000436210269 529567013 /nfs/dbraw/zinc/56/70/13/529567013.db2.gz ZJYUPWCISJHLTJ-UHFFFAOYSA-N -1 1 293.392 3.322 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC(CC2CC2)C1 ZINC000623041598 349754182 /nfs/dbraw/zinc/75/41/82/349754182.db2.gz RNOIIPZAJDTQCD-UHFFFAOYSA-N -1 1 299.292 3.283 20 0 CGADMM CCN(CCC(F)(F)F)C(=O)c1ccc(Cl)cc1[O-] ZINC000623060689 349756779 /nfs/dbraw/zinc/75/67/79/349756779.db2.gz KVAXLERRNWEERB-UHFFFAOYSA-N -1 1 295.688 3.460 20 0 CGADMM CCc1cccnc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000157799044 529617554 /nfs/dbraw/zinc/61/75/54/529617554.db2.gz SELOOMXYNPISCE-UHFFFAOYSA-N -1 1 285.278 3.206 20 0 CGADMM CC[C@@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H]1CCCO1 ZINC000436600683 529666280 /nfs/dbraw/zinc/66/62/80/529666280.db2.gz ASMRQCPUXRFLRK-NVXWUHKLSA-N -1 1 299.370 3.233 20 0 CGADMM CC1(C)CC(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000351308214 219091380 /nfs/dbraw/zinc/09/13/80/219091380.db2.gz VOIREVPEJWVSIL-UHFFFAOYSA-N -1 1 285.347 3.157 20 0 CGADMM COC(=O)[C@H](CC(C)(C)C)NCc1cccc([O-])c1Cl ZINC000592524836 346995657 /nfs/dbraw/zinc/99/56/57/346995657.db2.gz FHPKXHNJGHPLOA-NSHDSACASA-N -1 1 299.798 3.113 20 0 CGADMM CN(Cc1ccccn1)C(=O)c1cc2ccccc2cc1[O-] ZINC000042250423 344981119 /nfs/dbraw/zinc/98/11/19/344981119.db2.gz DJGLAURFXPPXIH-UHFFFAOYSA-N -1 1 292.338 3.213 20 0 CGADMM C[C@H]([N-]C(=O)C(F)(F)F)c1cccc(N2CCCC2)c1 ZINC000127352362 187298716 /nfs/dbraw/zinc/29/87/16/187298716.db2.gz OODGVAZCIPNWGD-JTQLQIEISA-N -1 1 286.297 3.026 20 0 CGADMM Cc1ncc(CN(C)C(=O)c2cc(Cl)ccc2[O-])s1 ZINC000046772439 345044365 /nfs/dbraw/zinc/04/43/65/345044365.db2.gz ZFGHNLDLTKCEAN-UHFFFAOYSA-N -1 1 296.779 3.083 20 0 CGADMM CN(Cc1cccs1)Cc1ccsc1C(=O)[O-] ZINC000110955409 345946752 /nfs/dbraw/zinc/94/67/52/345946752.db2.gz NWXQIJCQAZMNNE-UHFFFAOYSA-N -1 1 267.375 3.140 20 0 CGADMM O=C(Nc1ccc(Cl)c2cccnc12)c1cncc([O-])c1 ZINC000111775351 345951115 /nfs/dbraw/zinc/95/11/15/345951115.db2.gz CDRRVVFBMYKWJZ-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM CS(=O)(=O)[N-]c1cccc(-c2ccc3ccccc3c2)n1 ZINC000130797931 346060825 /nfs/dbraw/zinc/06/08/25/346060825.db2.gz FWZGGRJZFSXJKJ-UHFFFAOYSA-N -1 1 298.367 3.273 20 0 CGADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(F)ccc1[O-] ZINC000128639722 187381848 /nfs/dbraw/zinc/38/18/48/187381848.db2.gz ICUGLOOTQSTDDN-MFKMUULPSA-N -1 1 265.328 3.182 20 0 CGADMM CCCCc1cc(=O)n(-c2cccc(C(=O)OC)c2C)[n-]1 ZINC000601948208 347927996 /nfs/dbraw/zinc/92/79/96/347927996.db2.gz DXNCSGZKUUHGDY-UHFFFAOYSA-N -1 1 288.347 3.065 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc(F)cc1F ZINC000605440493 348155773 /nfs/dbraw/zinc/15/57/73/348155773.db2.gz SZVFJZQGCUNKHR-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000608365925 348301343 /nfs/dbraw/zinc/30/13/43/348301343.db2.gz VVFNIYNVKRBEOO-NEPJUHHUSA-N -1 1 289.281 3.413 20 0 CGADMM Cc1ccccc1CCC(=O)Nc1c([O-])cccc1F ZINC000608365824 348301572 /nfs/dbraw/zinc/30/15/72/348301572.db2.gz KATBYXISMZRBBB-UHFFFAOYSA-N -1 1 273.307 3.411 20 0 CGADMM C[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)[C@H]1CCCO1 ZINC000612758670 348544095 /nfs/dbraw/zinc/54/40/95/348544095.db2.gz BLENRWXPVRLOKO-TVQRCGJNSA-N -1 1 283.755 3.189 20 0 CGADMM CC[C@@]1(C)CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000612319380 348509907 /nfs/dbraw/zinc/50/99/07/348509907.db2.gz WZCKHMYLNIPLIY-KRWDZBQOSA-N -1 1 284.359 3.203 20 0 CGADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ncc2ccccc2c1[O-] ZINC000613237229 348578646 /nfs/dbraw/zinc/57/86/46/348578646.db2.gz XWLHHJNEGPBMJL-AAEUAGOBSA-N -1 1 284.359 3.344 20 0 CGADMM O=C(c1ncccc1[O-])N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000617919893 349024514 /nfs/dbraw/zinc/02/45/14/349024514.db2.gz SZVLHKUCSLAXBI-OAHLLOKOSA-N -1 1 298.342 3.138 20 0 CGADMM O=C(NC1CCC2(CC2(F)F)CC1)c1ccc([O-])cc1F ZINC000619229038 349224915 /nfs/dbraw/zinc/22/49/15/349224915.db2.gz GLAKJQSAUGEONH-UHFFFAOYSA-N -1 1 299.292 3.229 20 0 CGADMM COc1nc(C(=O)[N-]c2ccccc2SC(C)C)co1 ZINC000626108062 350261860 /nfs/dbraw/zinc/26/18/60/350261860.db2.gz QSUKQDOEMVRFSG-UHFFFAOYSA-N -1 1 292.360 3.436 20 0 CGADMM CC[C@@H](CC(F)(F)F)C(=O)Nc1cccc(F)c1[O-] ZINC000628960740 350626434 /nfs/dbraw/zinc/62/64/34/350626434.db2.gz YOLFRMIKVVOZNI-ZETCQYMHSA-N -1 1 279.233 3.448 20 0 CGADMM Cc1cc(F)c(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(Cl)c1 ZINC000629773895 350766709 /nfs/dbraw/zinc/76/67/09/350766709.db2.gz SUZDIHWJRINWBL-WDEREUQCSA-N -1 1 299.773 3.330 20 0 CGADMM CCc1cc2c([n-]c(-c3coc(C4CC4)n3)nc2=O)s1 ZINC000630386497 350831213 /nfs/dbraw/zinc/83/12/13/350831213.db2.gz WRAUDLREBNMQCX-UHFFFAOYSA-N -1 1 287.344 3.492 20 0 CGADMM Cc1nc(S[C@H]2CCO[C@H](C)C2)[n-]c(=O)c1C1CC1 ZINC000631023342 350926645 /nfs/dbraw/zinc/92/66/45/350926645.db2.gz NBLQLJHFAWZIFA-KCJUWKMLSA-N -1 1 280.393 3.028 20 0 CGADMM C[C@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@H]1C ZINC000631470596 351046211 /nfs/dbraw/zinc/04/62/11/351046211.db2.gz QZMQFSIDMUDJJU-QWRGUYRKSA-N -1 1 281.783 3.235 20 0 CGADMM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631643287 351102582 /nfs/dbraw/zinc/10/25/82/351102582.db2.gz JMGYGGHTKHCYNJ-VIFPVBQESA-N -1 1 295.351 3.320 20 0 CGADMM C[C@@H]1CC[C@@H](c2noc(Cc3ccc([O-])c(Cl)c3)n2)O1 ZINC000632176352 351177333 /nfs/dbraw/zinc/17/73/33/351177333.db2.gz QGSMHLYMHCBQDJ-PELKAZGASA-N -1 1 294.738 3.259 20 0 CGADMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000631728609 351128714 /nfs/dbraw/zinc/12/87/14/351128714.db2.gz UTZJARUGZGTXCW-RKDXNWHRSA-N -1 1 293.335 3.074 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@H](C2CC2)C1 ZINC000633111289 351243239 /nfs/dbraw/zinc/24/32/39/351243239.db2.gz OBKDDWXQCSYGPL-ZDUSSCGKSA-N -1 1 293.794 3.237 20 0 CGADMM CCN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@@H](C)C(C)C ZINC000633132256 351245396 /nfs/dbraw/zinc/24/53/96/351245396.db2.gz KHZLZUFBEXULDL-NSHDSACASA-N -1 1 283.799 3.481 20 0 CGADMM C[C@H]1CCCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000632541716 351203771 /nfs/dbraw/zinc/20/37/71/351203771.db2.gz BBKQGMOFUZVVLM-NSHDSACASA-N -1 1 281.783 3.237 20 0 CGADMM CC[C@](C)([N-]S(=O)(=O)c1ccc(C(F)F)o1)C1CC1 ZINC000632561050 351204913 /nfs/dbraw/zinc/20/49/13/351204913.db2.gz GPYLOJLDNKGOMX-LBPRGKRZSA-N -1 1 293.335 3.074 20 0 CGADMM C[C@H]1CC(C)(C)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633429630 351302990 /nfs/dbraw/zinc/30/29/90/351302990.db2.gz DDSXXSLCKRXTGK-JTQLQIEISA-N -1 1 281.783 3.235 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC1CC2(CCC2)C1 ZINC000633583276 351327029 /nfs/dbraw/zinc/32/70/29/351327029.db2.gz YPCQXCUFJGNHPT-UHFFFAOYSA-N -1 1 279.767 3.037 20 0 CGADMM CCc1c(=O)n(CCc2ccccc2)[n-]c1C(C)C ZINC000634593219 351529728 /nfs/dbraw/zinc/52/97/28/351529728.db2.gz ILIMIIMPHOSDTG-CQSZACIVSA-N -1 1 258.365 3.110 20 0 CGADMM CCc1cc(=O)n(-c2ccc(Br)c(C)c2)[n-]1 ZINC000634599835 351535260 /nfs/dbraw/zinc/53/52/60/351535260.db2.gz RAEOXDAXAMMKTG-UHFFFAOYSA-N -1 1 281.153 3.260 20 0 CGADMM CCc1[n-]n(-c2cnnc3ccccc32)c(=O)c1C(C)C ZINC000634604649 351538757 /nfs/dbraw/zinc/53/87/57/351538757.db2.gz MGIJFAIAMNBQAB-HNNXBMFYSA-N -1 1 282.347 3.015 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3ccc(Cl)cc3)c(=O)c2C1 ZINC000634606884 351540213 /nfs/dbraw/zinc/54/02/13/351540213.db2.gz FRLVTHYDQRPNAG-GWCFXTLKSA-N -1 1 276.767 3.474 20 0 CGADMM CCCc1[n-]n(-c2ccncc2Cl)c(=O)c1CC ZINC000634608742 351540906 /nfs/dbraw/zinc/54/09/06/351540906.db2.gz LHNWNUXTXCAJBQ-VIFPVBQESA-N -1 1 265.744 3.264 20 0 CGADMM O=c1c2c([n-]n1CCc1ccccc1F)CCCCC2 ZINC000634611856 351542358 /nfs/dbraw/zinc/54/23/58/351542358.db2.gz GXDFGNRMUFPWOW-CYBMUJFWSA-N -1 1 274.339 3.147 20 0 CGADMM CCc1c(C)[n-]n(-c2nc3ccc(OC)cc3cc2C)c1=O ZINC000634615450 351544607 /nfs/dbraw/zinc/54/46/07/351544607.db2.gz HRAFQQSZSCQMMF-CQSZACIVSA-N -1 1 297.358 3.301 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccnc(C(F)(F)F)c2)c1=O ZINC000634618300 351545936 /nfs/dbraw/zinc/54/59/36/351545936.db2.gz MJTIULAGIZWPOE-SNVBAGLBSA-N -1 1 285.269 3.239 20 0 CGADMM Cc1cc(-n2[n-]c3c(c2=O)CCCc2ccccc2-3)ccn1 ZINC000634619256 351546864 /nfs/dbraw/zinc/54/68/64/351546864.db2.gz TXQGISFDUSNCJW-MRXNPFEDSA-N -1 1 291.354 3.093 20 0 CGADMM CC(C)[C@@H](Cc1ccccc1)n1[n-]c2c(c1=O)CCC2 ZINC000634621963 351548338 /nfs/dbraw/zinc/54/83/38/351548338.db2.gz ULPUHWAYQAFSPY-GDBMZVCRSA-N -1 1 270.376 3.252 20 0 CGADMM CC(C)[C@@H]1CCc2[n-]n(C[C@H]3CCSC3)c(=O)c2C1 ZINC000634629338 351551190 /nfs/dbraw/zinc/55/11/90/351551190.db2.gz RXJUIDZWBPWIKM-UPJWGTAASA-N -1 1 280.437 3.010 20 0 CGADMM CCCc1c(C)[n-]n(-c2cc(F)cc(F)c2F)c1=O ZINC000634633412 351555466 /nfs/dbraw/zinc/55/54/66/351555466.db2.gz VQUALQMZPOFRGZ-VIFPVBQESA-N -1 1 270.254 3.243 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(Cl)s1 ZINC000292136344 198176922 /nfs/dbraw/zinc/17/69/22/198176922.db2.gz QIZCPLMRYCPCAY-MRVPVSSYSA-N -1 1 261.774 3.038 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1cccc(F)c1 ZINC000292332614 198248165 /nfs/dbraw/zinc/24/81/65/198248165.db2.gz WNDVHXORPZHPOJ-WDEREUQCSA-N -1 1 253.317 3.023 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCCS1 ZINC000157720880 188334672 /nfs/dbraw/zinc/33/46/72/188334672.db2.gz MCLWWVPAWSQQRB-LLVKDONJSA-N -1 1 271.769 3.270 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000336380301 213234943 /nfs/dbraw/zinc/23/49/43/213234943.db2.gz PAZAZSZJCWVYDU-ROJDOSBLSA-N -1 1 294.354 3.105 20 0 CGADMM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000019840040 291112877 /nfs/dbraw/zinc/11/28/77/291112877.db2.gz RVRYDBMVLQRIKX-UWVGGRQHSA-N -1 1 267.756 3.164 20 0 CGADMM CC[C@@]1(C)CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000294582418 199095613 /nfs/dbraw/zinc/09/56/13/199095613.db2.gz GXYFNWYLCZQWNH-AWEZNQCLSA-N -1 1 269.772 3.047 20 0 CGADMM C[C@]1(c2nc(-c3ccc([O-])c(F)c3)no2)C[C@H]2C[C@H]2C1 ZINC000436520527 237119058 /nfs/dbraw/zinc/11/90/58/237119058.db2.gz HASJMPOFSVWQQM-RTUWITSCSA-N -1 1 274.295 3.269 20 0 CGADMM COc1ncccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436514807 237119323 /nfs/dbraw/zinc/11/93/23/237119323.db2.gz PGORLXVQXHCYDS-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1Cc2cccc(Cl)c2C1 ZINC000436746260 237170406 /nfs/dbraw/zinc/17/04/06/237170406.db2.gz XIYPYXNEWFMBGM-UHFFFAOYSA-N -1 1 291.709 3.341 20 0 CGADMM Cc1cc(C)cc(CN(C)C(=O)c2cc(F)ccc2[O-])c1 ZINC000436899425 237202504 /nfs/dbraw/zinc/20/25/04/237202504.db2.gz DDFCDVDLFNADBQ-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297196572 200111869 /nfs/dbraw/zinc/11/18/69/200111869.db2.gz LEYLEMLMRSWBRH-CABCVRRESA-N -1 1 296.370 3.196 20 0 CGADMM COc1cc(C(=O)Nc2ncc(C)s2)cc(Cl)c1[O-] ZINC000341636006 216045051 /nfs/dbraw/zinc/04/50/51/216045051.db2.gz WSHPXOYJZMXERX-UHFFFAOYSA-N -1 1 298.751 3.071 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])[C@H]1C ZINC000177091992 189028273 /nfs/dbraw/zinc/02/82/73/189028273.db2.gz CXGNXQYDZUTQQP-BDAKNGLRSA-N -1 1 298.180 3.025 20 0 CGADMM O=C(NCCC1=CCCCC1)c1ccc([O-])cc1F ZINC000181040053 189286918 /nfs/dbraw/zinc/28/69/18/189286918.db2.gz GGGOCWJIHKAFNL-UHFFFAOYSA-N -1 1 263.312 3.152 20 0 CGADMM CCCCCOCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182863323 189337319 /nfs/dbraw/zinc/33/73/19/189337319.db2.gz QCMVKJOVWAJCQJ-UHFFFAOYSA-N -1 1 271.744 3.191 20 0 CGADMM Cc1nc(-c2ccc(N3[C@H](C)CC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000301928415 201266567 /nfs/dbraw/zinc/26/65/67/201266567.db2.gz ZPOSWCPUDQCJPA-PHIMTYICSA-N -1 1 298.390 3.238 20 0 CGADMM COC(=O)c1c[n-]c(SCCC2=CCCCC2)n1 ZINC000450904291 240145825 /nfs/dbraw/zinc/14/58/25/240145825.db2.gz NPQCDLKGNZMOIF-UHFFFAOYSA-N -1 1 266.366 3.179 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1c(F)cc(F)cc1F ZINC000120809624 370803379 /nfs/dbraw/zinc/80/33/79/370803379.db2.gz RZJGECBPNHETEO-UHFFFAOYSA-N -1 1 284.237 3.215 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CC2(CCC2)C1 ZINC000335514490 212201204 /nfs/dbraw/zinc/20/12/04/212201204.db2.gz SBBOQPOEFPYYOR-UHFFFAOYSA-N -1 1 297.358 3.301 20 0 CGADMM COc1ccc(C(=O)Nc2cccc(Cl)c2)c([O-])c1 ZINC000013589765 368659036 /nfs/dbraw/zinc/65/90/36/368659036.db2.gz GGDCOQFDVFKNKC-UHFFFAOYSA-N -1 1 277.707 3.307 20 0 CGADMM C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000019837086 368770613 /nfs/dbraw/zinc/77/06/13/368770613.db2.gz CULSMYJYKNTJLT-VIFPVBQESA-N -1 1 253.729 3.060 20 0 CGADMM CC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000031682882 368916556 /nfs/dbraw/zinc/91/65/56/368916556.db2.gz FPOLYLNVXRIGGI-JTQLQIEISA-N -1 1 267.756 3.308 20 0 CGADMM CC(C)(C)C=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000493592521 244195118 /nfs/dbraw/zinc/19/51/18/244195118.db2.gz XNANGAQIYXMLGB-CMDGGOBGSA-N -1 1 285.347 3.323 20 0 CGADMM CC(C)(C)/C=C/C(=O)Nc1ccc([O-])c(F)c1F ZINC000493723192 244218930 /nfs/dbraw/zinc/21/89/30/244218930.db2.gz LHXLSNVLYNUJHM-VOTSOKGWSA-N -1 1 255.264 3.211 20 0 CGADMM O=C(NCCOC1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000070167724 369785230 /nfs/dbraw/zinc/78/52/30/369785230.db2.gz NCVRHUDNQGQEKB-UHFFFAOYSA-N -1 1 297.782 3.125 20 0 CGADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000075910741 369920962 /nfs/dbraw/zinc/92/09/62/369920962.db2.gz XNNHCYIHOBXWQE-SNVBAGLBSA-N -1 1 259.280 3.022 20 0 CGADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC000091984381 370085425 /nfs/dbraw/zinc/08/54/25/370085425.db2.gz VNNXFGSXKZJJGE-MEDUHNTESA-N -1 1 285.318 3.365 20 0 CGADMM CC[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H](C)O1 ZINC000111644594 370402685 /nfs/dbraw/zinc/40/26/85/370402685.db2.gz VIUSROVZQWBFGY-IUODEOHRSA-N -1 1 299.370 3.185 20 0 CGADMM CCCSCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111666980 370404324 /nfs/dbraw/zinc/40/43/24/370404324.db2.gz JGSPVKSCZZQQBR-UHFFFAOYSA-N -1 1 259.758 3.127 20 0 CGADMM O=C(NOC1CCCC1)c1ccc2ccccc2c1[O-] ZINC000135689660 371444077 /nfs/dbraw/zinc/44/40/77/371444077.db2.gz NOIQYUVIHKJRHR-UHFFFAOYSA-N -1 1 271.316 3.149 20 0 CGADMM CC[C@@H](C)[C@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153863306 371793666 /nfs/dbraw/zinc/79/36/66/371793666.db2.gz CZBNMXRHBOUZIH-BDAKNGLRSA-N -1 1 285.771 3.219 20 0 CGADMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ncccc2[O-])c1 ZINC000153998451 371807760 /nfs/dbraw/zinc/80/77/60/371807760.db2.gz PWXNXYOVPNMJPU-HNNXBMFYSA-N -1 1 296.370 3.381 20 0 CGADMM CCN(C[C@H](C)OC)C(=O)c1ccc2ccccc2c1[O-] ZINC000291028403 372097958 /nfs/dbraw/zinc/09/79/58/372097958.db2.gz BBKFIULWLHKNHL-LBPRGKRZSA-N -1 1 287.359 3.042 20 0 CGADMM CC(C)n1ccc(NCc2cccc([O-])c2Cl)n1 ZINC000293235281 372333631 /nfs/dbraw/zinc/33/36/31/372333631.db2.gz KWDNHZCZJGFGMU-UHFFFAOYSA-N -1 1 265.744 3.435 20 0 CGADMM CO[C@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000293469700 372390529 /nfs/dbraw/zinc/39/05/29/372390529.db2.gz UTEFOKGLSBEZHU-MFKMUULPSA-N -1 1 283.755 3.189 20 0 CGADMM CC(C)(CCNC(=O)c1c(F)ccc([O-])c1F)C1CC1 ZINC000294130499 372589427 /nfs/dbraw/zinc/58/94/27/372589427.db2.gz LABXFHRHDKNOEG-UHFFFAOYSA-N -1 1 283.318 3.227 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@H]2CCCCC2(F)F)n1 ZINC000295452725 372788068 /nfs/dbraw/zinc/78/80/68/372788068.db2.gz WOOABKLKNBMSRI-MRVPVSSYSA-N -1 1 290.335 3.114 20 0 CGADMM CC(C)O[N-]C(=O)[C@H](C)c1ccc(Br)cc1 ZINC000295768841 372904549 /nfs/dbraw/zinc/90/45/49/372904549.db2.gz WQZYXEYMEPDIMC-SECBINFHSA-N -1 1 286.169 3.009 20 0 CGADMM Cc1ccc(Cl)cc1C(=O)Nc1ccncc1[O-] ZINC000156446586 321780899 /nfs/dbraw/zinc/78/08/99/321780899.db2.gz CETDPYZCAQEDAV-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM CCCCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)C1CC1 ZINC000442642618 373061450 /nfs/dbraw/zinc/06/14/50/373061450.db2.gz BYKVLYWEPJWKCP-UHFFFAOYSA-N -1 1 297.782 3.459 20 0 CGADMM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc([O-])c(Cl)c2)O1 ZINC000173379612 373133821 /nfs/dbraw/zinc/13/38/21/373133821.db2.gz FBQLWVRRMPVWFL-ONGXEEELSA-N -1 1 283.755 3.332 20 0 CGADMM CC(=O)c1[n-]c(=NCc2ccc(C)s2)sc1C ZINC000450253196 374022961 /nfs/dbraw/zinc/02/29/61/374022961.db2.gz MUAXBUHKBAPQSP-UHFFFAOYSA-N -1 1 266.391 3.058 20 0 CGADMM CCC[C@H](N=c1nc([C@H](C)OC)[n-]s1)C(C)(C)C ZINC000450712613 374174620 /nfs/dbraw/zinc/17/46/20/374174620.db2.gz WDIOGHJUAZDSBM-UWVGGRQHSA-N -1 1 271.430 3.294 20 0 CGADMM C[C@@H](NCc1cccc([O-])c1Cl)c1ccccn1 ZINC000328372911 374366411 /nfs/dbraw/zinc/36/64/11/374366411.db2.gz QOXSKSUIFGHUOF-SNVBAGLBSA-N -1 1 262.740 3.291 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@@H](c3ccccc3C)C2)c([O-])c1 ZINC000331210085 374514225 /nfs/dbraw/zinc/51/42/25/374514225.db2.gz QXUYLPQFDIQUJM-CQSZACIVSA-N -1 1 296.370 3.034 20 0 CGADMM CCCC[C@@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456792075 374625674 /nfs/dbraw/zinc/62/56/74/374625674.db2.gz ZVDSCWSLMSPBQK-MRVPVSSYSA-N -1 1 257.280 3.435 20 0 CGADMM C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)[C@@H]1C(=O)[O-] ZINC000334648121 374940325 /nfs/dbraw/zinc/94/03/25/374940325.db2.gz QJGCAGWBYNDPBG-ABAIWWIYSA-N -1 1 273.332 3.118 20 0 CGADMM CCC1(C(=O)Nc2ccc([O-])c(F)c2F)CCC1 ZINC000335016262 375073056 /nfs/dbraw/zinc/07/30/56/375073056.db2.gz BQLSYMNLBYNRGA-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H]2CCCc3ccccc32)n1 ZINC000187591752 375050610 /nfs/dbraw/zinc/05/06/10/375050610.db2.gz VTROUSCONDOFGK-CYBMUJFWSA-N -1 1 288.372 3.366 20 0 CGADMM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000335218357 375237908 /nfs/dbraw/zinc/23/79/08/375237908.db2.gz 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Cc1ncc(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000350809906 379586980 /nfs/dbraw/zinc/58/69/80/379586980.db2.gz BYGLNVLFLTZDFZ-UHFFFAOYSA-N -1 1 277.280 3.013 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cscn3)n2)c(Cl)c1 ZINC000350819425 379588688 /nfs/dbraw/zinc/58/86/88/379588688.db2.gz ZNDQINDQYQCTBH-UHFFFAOYSA-N -1 1 279.708 3.219 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CCCCCCC1 ZINC000280860545 379807587 /nfs/dbraw/zinc/80/75/87/379807587.db2.gz XNCMPRXMVIJOFQ-UHFFFAOYSA-N -1 1 269.291 3.077 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCCC(F)(F)C1 ZINC000282302250 379893781 /nfs/dbraw/zinc/89/37/81/379893781.db2.gz SMMXCMUAIJXCDI-SSDOTTSWSA-N -1 1 290.697 3.205 20 0 CGADMM C[C@H](N=c1ccc(N2CCC[C@H]3C[C@H]32)n[n-]1)c1ccccc1 ZINC000644877177 380536666 /nfs/dbraw/zinc/53/66/66/380536666.db2.gz ZUDKVNUWZCNSIL-CWRNSKLLSA-N -1 1 294.402 3.060 20 0 CGADMM [O-]c1cccc(CNc2cnc3c(c2)COCC3)c1Cl ZINC000645171535 380603334 /nfs/dbraw/zinc/60/33/34/380603334.db2.gz JDFKSLFVHSOTGT-UHFFFAOYSA-N -1 1 290.750 3.125 20 0 CGADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2C)c(C)n1 ZINC000334852042 207185931 /nfs/dbraw/zinc/18/59/31/207185931.db2.gz FBUWNOQBPHPKAT-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM CC(C)C[C@@H](C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000361379420 381723393 /nfs/dbraw/zinc/72/33/93/381723393.db2.gz VASSCUGOYJAVFT-SNVBAGLBSA-N -1 1 277.393 3.181 20 0 CGADMM CCc1nc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)o1 ZINC000335315873 208175523 /nfs/dbraw/zinc/17/55/23/208175523.db2.gz ZFBCUCBCNMMAIH-UHFFFAOYSA-N -1 1 280.711 3.157 20 0 CGADMM C[C@]1(C(=O)Nc2ccc([O-])c(Cl)c2)C[C@H]2C[C@H]2C1 ZINC000335343118 208235149 /nfs/dbraw/zinc/23/51/49/208235149.db2.gz GNRNZBJKSSGYAM-QRJZZWFUSA-N -1 1 265.740 3.420 20 0 CGADMM CCC1CCC(N(C)Cc2nc(C(=O)[O-])cs2)CC1 ZINC000328437231 542443941 /nfs/dbraw/zinc/44/39/41/542443941.db2.gz YAXWYUNDPGAWIA-UHFFFAOYSA-N -1 1 282.409 3.242 20 0 CGADMM C[C@@H]1CN(Cc2ccc(Cl)cc2F)CC[C@H]1C(=O)[O-] ZINC000394038869 542613183 /nfs/dbraw/zinc/61/31/83/542613183.db2.gz OASRNXSKOFXJQI-BXKDBHETSA-N -1 1 285.746 3.022 20 0 CGADMM COC(=O)c1c[n-]c(SC/C=C\c2ccccc2)n1 ZINC000361995627 392383349 /nfs/dbraw/zinc/38/33/49/392383349.db2.gz GJDYQBLCHXHPLJ-YVMONPNESA-N -1 1 274.345 3.002 20 0 CGADMM CC[C@@](C)(NCc1ccc(C(=O)[O-])cc1)c1nccs1 ZINC000263569614 131298698 /nfs/dbraw/zinc/29/86/98/131298698.db2.gz HPZSKJMJHCTYPC-OAHLLOKOSA-N -1 1 290.388 3.256 20 0 CGADMM Cc1cnc(CNCc2cccc([O-])c2Cl)s1 ZINC000328351575 392673735 /nfs/dbraw/zinc/67/37/35/392673735.db2.gz PQWORLYYBYJIBT-UHFFFAOYSA-N -1 1 268.769 3.100 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2c([O-])cccc2F)o1 ZINC000548122107 393175954 /nfs/dbraw/zinc/17/59/54/393175954.db2.gz AWBHEWIBQCDEEB-GXSJLCMTSA-N -1 1 289.306 3.178 20 0 CGADMM Cc1ccnc(-c2nc3ccc(C)cc3c(=O)[n-]2)c1 ZINC000349289350 393142405 /nfs/dbraw/zinc/14/24/05/393142405.db2.gz SPYNHQYEHIAWFH-UHFFFAOYSA-N -1 1 251.289 3.014 20 0 CGADMM C[C@@H]1C[C@H](NCc2cccc([O-])c2Cl)c2nccn21 ZINC000648776415 393247866 /nfs/dbraw/zinc/24/78/66/393247866.db2.gz KXUQAJAVCUBZOL-KOLCDFICSA-N -1 1 277.755 3.038 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc2cc(F)ccc2s1 ZINC000646410334 393280353 /nfs/dbraw/zinc/28/03/53/393280353.db2.gz DEQJRCFBKATFLP-UHFFFAOYSA-N -1 1 291.307 3.030 20 0 CGADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)C1CC2(CCC2)C1 ZINC000649210124 393373266 /nfs/dbraw/zinc/37/32/66/393373266.db2.gz NBJCGJBJIIFISO-UHFFFAOYSA-N -1 1 287.388 3.079 20 0 CGADMM CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000356522524 393472018 /nfs/dbraw/zinc/47/20/18/393472018.db2.gz VHVXGDVZUFLBNV-PRHODGIISA-N -1 1 271.744 3.045 20 0 CGADMM CC(C)c1nc(=NCCC2CC(OC(C)(C)C)C2)o[n-]1 ZINC000432851479 393653303 /nfs/dbraw/zinc/65/33/03/393653303.db2.gz BFWCWQAOFNFTSM-UHFFFAOYSA-N -1 1 281.400 3.011 20 0 CGADMM Cc1ccc(/C=C\C(=O)Nc2ccc(F)cc2[O-])o1 ZINC000492286446 393714729 /nfs/dbraw/zinc/71/47/29/393714729.db2.gz IDMHFRRUWFLBJA-ALCCZGGFSA-N -1 1 261.252 3.085 20 0 CGADMM Cc1ncccc1NC(=O)c1c[nH]nc1-c1ccsc1 ZINC000444108097 393786821 /nfs/dbraw/zinc/78/68/21/393786821.db2.gz XYPGXKCSVAVXNA-UHFFFAOYSA-N -1 1 284.344 3.094 20 0 CGADMM COc1csc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445459793 393796576 /nfs/dbraw/zinc/79/65/76/393796576.db2.gz HNGOAMSLFKRPHW-UHFFFAOYSA-N -1 1 292.291 3.318 20 0 CGADMM Cc1ccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)cn1 ZINC000445471116 393797674 /nfs/dbraw/zinc/79/76/74/393797674.db2.gz GMNPAZYAAYHUPZ-QPJJXVBHSA-N -1 1 297.289 3.455 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)C3CCCCC3)[nH][n-]2)s1 ZINC000500799924 393838994 /nfs/dbraw/zinc/83/89/94/393838994.db2.gz LZQVFQIHXWDMFV-UHFFFAOYSA-N -1 1 289.404 3.387 20 0 CGADMM CCCn1ncc(NC(=O)c2ccccc2[O-])c1C1CC1 ZINC000452472610 394068612 /nfs/dbraw/zinc/06/86/12/394068612.db2.gz FCYCIWFMWDWTGL-UHFFFAOYSA-N -1 1 285.347 3.128 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@H]1C1CCC1 ZINC000668137926 542974397 /nfs/dbraw/zinc/97/43/97/542974397.db2.gz QHRBMGYATFZYQH-OAHLLOKOSA-N -1 1 296.370 3.345 20 0 CGADMM Cc1nc(C)c(CNC(=O)c2c([O-])cccc2Cl)s1 ZINC000743676036 572677104 /nfs/dbraw/zinc/67/71/04/572677104.db2.gz WLCLUIFAWSLHIW-UHFFFAOYSA-N -1 1 296.779 3.049 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCCC(F)(F)C1 ZINC000669713411 543122305 /nfs/dbraw/zinc/12/23/05/543122305.db2.gz PKGWQZSCRRIIRB-QMMMGPOBSA-N -1 1 273.254 3.295 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H]2C=CCCC2)n1 ZINC000551741436 289129636 /nfs/dbraw/zinc/12/96/36/289129636.db2.gz CNZOUVSBBUVRRS-LLVKDONJSA-N -1 1 250.367 3.336 20 0 CGADMM COc1c(C)cc(C(=O)Nc2c([O-])cccc2F)cc1C ZINC000678630136 543547226 /nfs/dbraw/zinc/54/72/26/543547226.db2.gz KCFNIZKIURQSNI-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM C[C@@H]1CCSCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000189962360 296623110 /nfs/dbraw/zinc/62/31/10/296623110.db2.gz BAKBVYANSKYNOR-SECBINFHSA-N -1 1 285.796 3.013 20 0 CGADMM C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])[C@H]1C ZINC000050566628 286932294 /nfs/dbraw/zinc/93/22/94/286932294.db2.gz USWDURZYOVCEIS-UWVGGRQHSA-N -1 1 267.756 3.306 20 0 CGADMM C[C@H](CC1CC1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000070104937 286985473 /nfs/dbraw/zinc/98/54/73/286985473.db2.gz QXNSUWSTHURCMG-LLVKDONJSA-N -1 1 269.344 3.464 20 0 CGADMM CC(C)c1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000082323696 165168355 /nfs/dbraw/zinc/16/83/55/165168355.db2.gz XCFBJAIOAYZFDQ-UHFFFAOYSA-N -1 1 256.305 3.163 20 0 CGADMM CC(C)n1cc([N-]c2nc(C(C)(C)C)ns2)cn1 ZINC000087641789 165190959 /nfs/dbraw/zinc/19/09/59/165190959.db2.gz MYADZJURSGJNIZ-UHFFFAOYSA-N -1 1 265.386 3.357 20 0 CGADMM COc1ccc(-c2nc(-c3cccs3)no2)c([O-])c1 ZINC000109037067 287127246 /nfs/dbraw/zinc/12/72/46/287127246.db2.gz JUTIZXINIQXXQO-UHFFFAOYSA-N -1 1 274.301 3.179 20 0 CGADMM COc1ccc(-c2nc(CCC(C)C)no2)c([O-])c1 ZINC000111689264 287136463 /nfs/dbraw/zinc/13/64/63/287136463.db2.gz POOIZQNAAJFEDO-UHFFFAOYSA-N -1 1 262.309 3.039 20 0 CGADMM CCOc1ccccc1NC(=O)c1ccc(OC)cc1[O-] ZINC000019838135 170886002 /nfs/dbraw/zinc/88/60/02/170886002.db2.gz BAESVNNKYOVOFD-UHFFFAOYSA-N -1 1 287.315 3.052 20 0 CGADMM C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000021791185 171323818 /nfs/dbraw/zinc/32/38/18/171323818.db2.gz YBBXYLZWQKXBHP-JOYOIKCWSA-N -1 1 267.756 3.354 20 0 CGADMM O=C(NCCc1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000035137470 172004442 /nfs/dbraw/zinc/00/44/42/172004442.db2.gz IYQYYEHBXMSPMT-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM CCCCN(C)C(=O)c1ccc(Br)cc1[O-] ZINC000044490382 175180616 /nfs/dbraw/zinc/18/06/16/175180616.db2.gz FEJMTMZDTHPWQK-UHFFFAOYSA-N -1 1 286.169 3.027 20 0 CGADMM CCS[C@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000128170009 287305002 /nfs/dbraw/zinc/30/50/02/287305002.db2.gz UEFSLVKRAVNXKZ-MNOVXSKESA-N -1 1 297.395 3.325 20 0 CGADMM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000021791181 287316102 /nfs/dbraw/zinc/31/61/02/287316102.db2.gz YBBXYLZWQKXBHP-BXKDBHETSA-N -1 1 267.756 3.354 20 0 CGADMM CC(=O)c1csc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129136167 287325127 /nfs/dbraw/zinc/32/51/27/287325127.db2.gz XGNOYRUCLNXESJ-UHFFFAOYSA-N -1 1 279.292 3.048 20 0 CGADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000048653475 416456983 /nfs/dbraw/zinc/45/69/83/416456983.db2.gz JFPXUZLGXVFDJX-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CN(Cc1cccc(O)c1)C(=O)c1cc(Cl)ccc1[O-] ZINC000048736037 416460096 /nfs/dbraw/zinc/46/00/96/416460096.db2.gz NROZABXLWFUUDN-UHFFFAOYSA-N -1 1 291.734 3.023 20 0 CGADMM C[C@@H]1CN(Cc2cc(F)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311500559 416532163 /nfs/dbraw/zinc/53/21/63/416532163.db2.gz YEYATQSPQHZPLJ-SKDRFNHKSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000016642159 287340797 /nfs/dbraw/zinc/34/07/97/287340797.db2.gz OLYMRMXXYYAJLM-GFCCVEGCSA-N -1 1 269.344 3.418 20 0 CGADMM CCOc1cc(C(=O)N[C@H](C)C2CCC2)cc(Cl)c1[O-] ZINC000680817655 543736675 /nfs/dbraw/zinc/73/66/75/543736675.db2.gz RKGANRKKUIPSBA-SECBINFHSA-N -1 1 297.782 3.363 20 0 CGADMM Cc1oc2ccc(NC(=O)C3=C([O-])C(C)N=N3)cc2c1C ZINC000681359468 543783382 /nfs/dbraw/zinc/78/33/82/543783382.db2.gz DWHPSLYOKJJOQX-UHFFFAOYSA-N -1 1 285.303 3.039 20 0 CGADMM C[C@@H](CCc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681015784 543756494 /nfs/dbraw/zinc/75/64/94/543756494.db2.gz QWPUYUOWKZYAQT-LBPRGKRZSA-N -1 1 287.334 3.282 20 0 CGADMM Cc1ccc(F)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681016267 543756805 /nfs/dbraw/zinc/75/68/05/543756805.db2.gz ZZFSHLHRXZFWSG-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CCN(C(=O)c1ccc([O-])c(F)c1)C1CCCCC1 ZINC000681017335 543757270 /nfs/dbraw/zinc/75/72/70/543757270.db2.gz SBIWQXIRTLRDHV-UHFFFAOYSA-N -1 1 265.328 3.326 20 0 CGADMM O=C(NC[C@@H]1CCCc2ccccc21)c1ccc([O-])c(F)c1 ZINC000681016825 543757873 /nfs/dbraw/zinc/75/78/73/543757873.db2.gz JIPNAXGAMSZGCK-AWEZNQCLSA-N -1 1 299.345 3.381 20 0 CGADMM O=C(Nc1ccc2c(c1)CCCO2)c1ccc([O-])c(F)c1 ZINC000681039927 543759230 /nfs/dbraw/zinc/75/92/30/543759230.db2.gz SGCMPXKMUJIJSJ-UHFFFAOYSA-N -1 1 287.290 3.109 20 0 CGADMM Cc1cccc2c1CC[C@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC000681041614 543759591 /nfs/dbraw/zinc/75/95/91/543759591.db2.gz PJYKRMYUTFQXJO-OAHLLOKOSA-N -1 1 285.318 3.257 20 0 CGADMM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681041871 543759626 /nfs/dbraw/zinc/75/96/26/543759626.db2.gz UGPIIVWDUABNRK-ZDUSSCGKSA-N -1 1 265.328 3.182 20 0 CGADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc([O-])c(F)c1 ZINC000681047594 543760358 /nfs/dbraw/zinc/76/03/58/543760358.db2.gz PLNOJTQRRUFRPX-UHIISALHSA-N -1 1 277.339 3.325 20 0 CGADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc([O-])c(F)c1 ZINC000681047593 543760496 /nfs/dbraw/zinc/76/04/96/543760496.db2.gz PLNOJTQRRUFRPX-SUNKGSAMSA-N -1 1 277.339 3.325 20 0 CGADMM C[C@@H](CNC(=O)c1ccc([O-])c(F)c1)Cc1cccs1 ZINC000681050709 543761162 /nfs/dbraw/zinc/76/11/62/543761162.db2.gz KUMAYUXNUKNTEN-SNVBAGLBSA-N -1 1 293.363 3.201 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@H](C)c1ccccc1 ZINC000681053306 543761363 /nfs/dbraw/zinc/76/13/63/543761363.db2.gz UQJKXVJNMCIAJM-NWDGAFQWSA-N -1 1 287.334 3.453 20 0 CGADMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccc([O-])c(F)c1 ZINC000681050699 543761451 /nfs/dbraw/zinc/76/14/51/543761451.db2.gz KKWRDNAJAXBYFG-OCCSQVGLSA-N -1 1 277.339 3.230 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)[C@@H]1C ZINC000131447427 287380378 /nfs/dbraw/zinc/38/03/78/287380378.db2.gz OFRFYAOMBCDBQT-RKDXNWHRSA-N -1 1 298.180 3.025 20 0 CGADMM CC(C)(C)[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000131573927 287383982 /nfs/dbraw/zinc/38/39/82/287383982.db2.gz VBFFHGVEXWCWEC-SNVBAGLBSA-N -1 1 265.328 3.040 20 0 CGADMM COc1ccccc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000131878502 287391603 /nfs/dbraw/zinc/39/16/03/287391603.db2.gz UFWBAKDTSKJEOA-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM Cc1cc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)on1 ZINC000684151477 543969738 /nfs/dbraw/zinc/96/97/38/543969738.db2.gz QJNNXCCQCIYDFK-UHFFFAOYSA-N -1 1 275.308 3.055 20 0 CGADMM Cc1onc(-c2ccccc2C)c1C(=O)[N-]c1cnoc1 ZINC000684423320 543998518 /nfs/dbraw/zinc/99/85/18/543998518.db2.gz CLHIBXCZQZFKSQ-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM O=C(Nc1cccnc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869340 544035181 /nfs/dbraw/zinc/03/51/81/544035181.db2.gz RMVGDXCMSDHSIK-UHFFFAOYSA-N -1 1 282.221 3.058 20 0 CGADMM CN(C(=O)c1ccccc1[O-])c1cccc2cccnc21 ZINC000684933186 544041129 /nfs/dbraw/zinc/04/11/29/544041129.db2.gz LKUCFNUERZTSLB-UHFFFAOYSA-N -1 1 278.311 3.217 20 0 CGADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000275082658 287454521 /nfs/dbraw/zinc/45/45/21/287454521.db2.gz FQNDCFOXNONVSC-MSRIBSCDSA-N -1 1 265.328 3.086 20 0 CGADMM CCN(Cc1ccoc1)Cc1ccc(C(=O)[O-])s1 ZINC000652408197 418963718 /nfs/dbraw/zinc/96/37/18/418963718.db2.gz JZKWTDGSZYQLKI-UHFFFAOYSA-N -1 1 265.334 3.061 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CCC[C@H]4C[C@H]43)n2)cc1F ZINC000664849373 419013898 /nfs/dbraw/zinc/01/38/98/419013898.db2.gz IDYBDPURYFQKJI-JMJZKYOTSA-N -1 1 274.295 3.485 20 0 CGADMM CC[C@@](C)(C(=O)[O-])N(Cc1cc(C2CC2)no1)CC1CC1 ZINC000659792523 418991368 /nfs/dbraw/zinc/99/13/68/418991368.db2.gz CWESNKKWIFNTTI-INIZCTEOSA-N -1 1 292.379 3.017 20 0 CGADMM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc([O-])c(F)c1 ZINC000654671443 418995485 /nfs/dbraw/zinc/99/54/85/418995485.db2.gz VFXJXCBDMDTMQX-MEBBXXQBSA-N -1 1 265.328 3.230 20 0 CGADMM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1ccc([O-])c(F)c1 ZINC000665639624 419143812 /nfs/dbraw/zinc/14/38/12/419143812.db2.gz VFLGESCSIPFDKO-QWHCGFSZSA-N -1 1 277.339 3.087 20 0 CGADMM C[C@H](c1ccc2ccccc2c1)N(C)Cc1n[n-]c(=O)o1 ZINC000660851134 419203995 /nfs/dbraw/zinc/20/39/95/419203995.db2.gz YKNHUZXQKYFLST-LLVKDONJSA-N -1 1 283.331 3.121 20 0 CGADMM CC[C@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000666302148 419206837 /nfs/dbraw/zinc/20/68/37/419206837.db2.gz KAMGNVPMYTWECQ-LBPRGKRZSA-N -1 1 284.359 3.203 20 0 CGADMM CC(C)n1cc(-c2cc(C(F)(F)F)n[nH]2)cc1C(=O)[O-] ZINC000657203246 419230738 /nfs/dbraw/zinc/23/07/38/419230738.db2.gz QCJODGNEDJQSED-UHFFFAOYSA-N -1 1 287.241 3.176 20 0 CGADMM CCc1nc(SCc2ccncc2Cl)[n-]c(=O)c1C ZINC000657263815 419239734 /nfs/dbraw/zinc/23/97/34/419239734.db2.gz WPGKYXCWYULNSF-UHFFFAOYSA-N -1 1 295.795 3.394 20 0 CGADMM CC1(C)C[C@H]1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000226260355 287634286 /nfs/dbraw/zinc/63/42/86/287634286.db2.gz RFJRBTAOYLBJKE-ZDUSSCGKSA-N -1 1 269.344 3.321 20 0 CGADMM CO[C@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000334493135 263742090 /nfs/dbraw/zinc/74/20/90/263742090.db2.gz DYJKETQIZXPJDG-ONGXEEELSA-N -1 1 283.755 3.189 20 0 CGADMM O=C(Nc1ccccc1OC(F)F)c1ccccc1[O-] ZINC000037326363 270029339 /nfs/dbraw/zinc/02/93/39/270029339.db2.gz BNFCNVDLKZWSBN-UHFFFAOYSA-N -1 1 279.242 3.246 20 0 CGADMM CC1(C)C[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000044365876 270035453 /nfs/dbraw/zinc/03/54/53/270035453.db2.gz KFMXFZDUKSEHMC-ZDUSSCGKSA-N -1 1 255.317 3.074 20 0 CGADMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000187160441 270068051 /nfs/dbraw/zinc/06/80/51/270068051.db2.gz FTJRNKKDQVQZHU-UHFFFAOYSA-N -1 1 261.346 3.050 20 0 CGADMM Cc1csc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000192166998 270077100 /nfs/dbraw/zinc/07/71/00/270077100.db2.gz UJWOWCNIINCAQW-UHFFFAOYSA-N -1 1 283.740 3.455 20 0 CGADMM O=C(NCCc1ccc(Cl)cc1)c1c([O-])cccc1F ZINC000228833138 270087804 /nfs/dbraw/zinc/08/78/04/270087804.db2.gz BURZCJDDMXZUCJ-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)[C@H]1C1CC1 ZINC000527927048 270144713 /nfs/dbraw/zinc/14/47/13/270144713.db2.gz QSAZWMLTAGBKON-OZUAJXCXSA-N -1 1 297.358 3.013 20 0 CGADMM CC(C)c1ccc([C@@H](C)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1 ZINC000530170017 270195555 /nfs/dbraw/zinc/19/55/55/270195555.db2.gz NSXXTYLQARMYFL-IOASZLSFSA-N -1 1 291.391 3.045 20 0 CGADMM CCc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000531755776 270209577 /nfs/dbraw/zinc/20/95/77/270209577.db2.gz QIZOLLCHHDBXQE-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1cccc(F)c1 ZINC000532266291 270214647 /nfs/dbraw/zinc/21/46/47/270214647.db2.gz DSDHCBGJOGKTJI-SECBINFHSA-N -1 1 277.270 3.413 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@]12CCc1ccccc12 ZINC000532267357 270214659 /nfs/dbraw/zinc/21/46/59/270214659.db2.gz ISQWALBXWICQPC-KDOFPFPSSA-N -1 1 297.329 3.374 20 0 CGADMM COc1cccc([C@@H](C)C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532622210 270217946 /nfs/dbraw/zinc/21/79/46/270217946.db2.gz MGYSYBQEOUUFEN-SNVBAGLBSA-N -1 1 289.306 3.282 20 0 CGADMM CN(C(=O)c1ccc(Cl)cc1[O-])C1CC(C)(C)C1 ZINC000395391546 288009049 /nfs/dbraw/zinc/00/90/49/288009049.db2.gz AINPFSIWAIOJFD-UHFFFAOYSA-N -1 1 267.756 3.306 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])CC(C)(C)C1 ZINC000436834331 288018203 /nfs/dbraw/zinc/01/82/03/288018203.db2.gz MKDGCXXQKFUFSW-JTQLQIEISA-N -1 1 265.328 3.040 20 0 CGADMM COCCCCN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000397126392 288021600 /nfs/dbraw/zinc/02/16/00/288021600.db2.gz MSYMMTSMZAJUOO-UHFFFAOYSA-N -1 1 287.359 3.044 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)[C@@H]2CCC[C@H]21 ZINC000294722325 278323024 /nfs/dbraw/zinc/32/30/24/278323024.db2.gz LFNHWGPDDHLDQK-TZMCWYRMSA-N -1 1 277.339 3.182 20 0 CGADMM CC[C@]1(C)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000399316540 288051058 /nfs/dbraw/zinc/05/10/58/288051058.db2.gz WGEIVFVCMLUUDP-CQSZACIVSA-N -1 1 267.756 3.308 20 0 CGADMM C[C@H]1CC[C@@H](CC(=O)Nc2cccc(F)c2[O-])C1 ZINC000530006320 288282078 /nfs/dbraw/zinc/28/20/78/288282078.db2.gz RILDUHSTJDPOLZ-VHSXEESVSA-N -1 1 251.301 3.296 20 0 CGADMM CC[C@H]1CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000294113415 281100327 /nfs/dbraw/zinc/10/03/27/281100327.db2.gz SKHIAMWGRGKEBI-ZDUSSCGKSA-N -1 1 255.317 3.170 20 0 CGADMM Cc1ccc2nc(-c3ccc4c(c3)C(=O)CC4)[n-]c(=O)c2c1 ZINC000356897143 281149437 /nfs/dbraw/zinc/14/94/37/281149437.db2.gz SOBHAWJWEAIQPW-UHFFFAOYSA-N -1 1 290.322 3.440 20 0 CGADMM Cc1nc(SCc2ccc(F)cc2F)[n-]c(=O)c1C ZINC000540720504 288668278 /nfs/dbraw/zinc/66/82/78/288668278.db2.gz VEKMHQYDMCCEEL-UHFFFAOYSA-N -1 1 282.315 3.370 20 0 CGADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180672525 288964699 /nfs/dbraw/zinc/96/46/99/288964699.db2.gz MNSJVHWJJDPIKF-DTWKUNHWSA-N -1 1 287.281 3.282 20 0 CGADMM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ncccc2[O-])C1 ZINC000342722209 300044826 /nfs/dbraw/zinc/04/48/26/300044826.db2.gz ALGPENQOXSEYNF-ZFWWWQNUSA-N -1 1 296.370 3.401 20 0 CGADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc([O-])cc1F ZINC000154783815 321750434 /nfs/dbraw/zinc/75/04/34/321750434.db2.gz LFZFLENXPRQWFK-HZMBPMFUSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1 ZINC000171265943 321923495 /nfs/dbraw/zinc/92/34/95/321923495.db2.gz CGOUCQGRZIECQZ-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000565367461 322074788 /nfs/dbraw/zinc/07/47/88/322074788.db2.gz OLHHUXFLYQLWQO-BXUZGUMPSA-N -1 1 297.358 3.323 20 0 CGADMM C[C@H](c1ccco1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000566357618 322117284 /nfs/dbraw/zinc/11/72/84/322117284.db2.gz FRXWOJRZHYLPQE-SECBINFHSA-N -1 1 265.334 3.232 20 0 CGADMM Cc1cnc(SC[C@@H]2CCc3ccccc32)[n-]c1=O ZINC000567916541 322183161 /nfs/dbraw/zinc/18/31/61/322183161.db2.gz XKQDWSVKDCKPQA-LBPRGKRZSA-N -1 1 272.373 3.313 20 0 CGADMM C[C@H](CN(Cc1csc(C(C)(C)C)n1)C1CC1)C(=O)[O-] ZINC000568759330 322221385 /nfs/dbraw/zinc/22/13/85/322221385.db2.gz WKZLXNWUXHXFKO-SNVBAGLBSA-N -1 1 296.436 3.126 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2ccc(Cl)cn2)[n-]1 ZINC000568824612 322223562 /nfs/dbraw/zinc/22/35/62/322223562.db2.gz JQMBWDKUELTQBQ-UHFFFAOYSA-N -1 1 293.779 3.400 20 0 CGADMM Cc1cccc(CN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)n1 ZINC000569357126 322245014 /nfs/dbraw/zinc/24/50/14/322245014.db2.gz XCMTWBASGWLEPN-DLBZAZTESA-N -1 1 296.370 3.180 20 0 CGADMM CC(C)C(C)(C)[N-]S(=O)(=O)c1sccc1Cl ZINC000570643611 322278600 /nfs/dbraw/zinc/27/86/00/322278600.db2.gz LHALVWVSZITLPY-UHFFFAOYSA-N -1 1 281.830 3.114 20 0 CGADMM CCc1nc(SC[C@H]2CCC(C)(C)O2)[n-]c(=O)c1C ZINC000572542520 322342355 /nfs/dbraw/zinc/34/23/55/322342355.db2.gz DIHUOZOXUHDSHY-SNVBAGLBSA-N -1 1 282.409 3.103 20 0 CGADMM CCCCc1nc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cs1 ZINC000584231922 327071132 /nfs/dbraw/zinc/07/11/32/327071132.db2.gz WQPYNAISUITKOG-WCQYABFASA-N -1 1 296.436 3.028 20 0 CGADMM Cc1coc(-c2cccc(NC(=O)c3cncc([O-])c3)c2)n1 ZINC000177459590 335372549 /nfs/dbraw/zinc/37/25/49/335372549.db2.gz VDGJUVGOIBLAIO-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM Cc1cnc(SCCCOc2ccccc2)[n-]c1=O ZINC000577628049 335382091 /nfs/dbraw/zinc/38/20/91/335382091.db2.gz PXSTVRCFIPYARX-UHFFFAOYSA-N -1 1 276.361 3.052 20 0 CGADMM Cc1ncsc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350841744 335538904 /nfs/dbraw/zinc/53/89/04/335538904.db2.gz WLTCNQWSTPHITF-UHFFFAOYSA-N -1 1 277.280 3.013 20 0 CGADMM C[C@H](c1ccccn1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000194724315 336037907 /nfs/dbraw/zinc/03/79/07/336037907.db2.gz BHVVIGDHNJAWOW-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM C[C@@H]1SCCN(Cc2cccc(C(=O)[O-])c2Cl)[C@H]1C ZINC000381586194 336069013 /nfs/dbraw/zinc/06/90/13/336069013.db2.gz CQPKEBGJRPRJPO-UWVGGRQHSA-N -1 1 299.823 3.364 20 0 CGADMM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000581761054 336143228 /nfs/dbraw/zinc/14/32/28/336143228.db2.gz WJDKMRYDCKULCW-NWDGAFQWSA-N -1 1 293.388 3.147 20 0 CGADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1cncc(F)c1 ZINC000436859762 533746069 /nfs/dbraw/zinc/74/60/69/533746069.db2.gz DBIRUUOIAWVUSK-QMMMGPOBSA-N -1 1 294.713 3.071 20 0 CGADMM COC(=O)c1c[n-]c(SCC2CCC(F)(F)CC2)n1 ZINC000413001564 534307655 /nfs/dbraw/zinc/30/76/55/534307655.db2.gz DBJAOBLYGDUFTR-UHFFFAOYSA-N -1 1 290.335 3.114 20 0 CGADMM Cc1nc(CNCc2ccc(Cl)s2)ccc1C(=O)[O-] ZINC000426666151 534387855 /nfs/dbraw/zinc/38/78/55/534387855.db2.gz OLSXJPKOLICEQD-UHFFFAOYSA-N -1 1 296.779 3.093 20 0 CGADMM O=C([O-])[C@H](NCc1ccsc1)c1ccc(Cl)c(F)c1 ZINC000426757773 534531348 /nfs/dbraw/zinc/53/13/48/534531348.db2.gz FJJPWGNDJCPUAS-GFCCVEGCSA-N -1 1 299.754 3.456 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](CC2CC2)C1 ZINC000436714616 534660636 /nfs/dbraw/zinc/66/06/36/534660636.db2.gz ITGPQZWQNBQHSQ-NSHDSACASA-N -1 1 279.767 3.308 20 0 CGADMM C[C@H](NC(=O)c1cncc([O-])c1)[C@@H](C)C1CCCCC1 ZINC000339918352 525262835 /nfs/dbraw/zinc/26/28/35/525262835.db2.gz ZXOPDZNOKSYPFN-NEPJUHHUSA-N -1 1 276.380 3.122 20 0 CGADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccncc2)c1 ZINC000173998642 528187115 /nfs/dbraw/zinc/18/71/15/528187115.db2.gz SKKANZZDKMVIQJ-UHFFFAOYSA-N -1 1 276.361 3.006 20 0 CGADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC000436865508 529211385 /nfs/dbraw/zinc/21/13/85/529211385.db2.gz SAPZSUAXOQRBPY-DGCLKSJQSA-N -1 1 297.395 3.325 20 0 CGADMM Fc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000737657080 571798219 /nfs/dbraw/zinc/79/82/19/571798219.db2.gz ULZSOROQWNEJOQ-UHFFFAOYSA-N -1 1 292.220 3.076 20 0 CGADMM Fc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000737657080 571798222 /nfs/dbraw/zinc/79/82/22/571798222.db2.gz ULZSOROQWNEJOQ-UHFFFAOYSA-N -1 1 292.220 3.076 20 0 CGADMM c1cc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)nc(-c2nnn[n-]2)c1 ZINC000738413019 572374283 /nfs/dbraw/zinc/37/42/83/572374283.db2.gz LNXZQKZQECDPSY-RWMBFGLXSA-N -1 1 298.394 3.033 20 0 CGADMM c1cc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)nc(-c2nn[n-]n2)c1 ZINC000738413019 572374289 /nfs/dbraw/zinc/37/42/89/572374289.db2.gz LNXZQKZQECDPSY-RWMBFGLXSA-N -1 1 298.394 3.033 20 0 CGADMM O=C([O-])N1CCN(CCCc2cccc3ccccc32)CC1 ZINC000738643383 572384909 /nfs/dbraw/zinc/38/49/09/572384909.db2.gz AUUQHOPADJACCV-UHFFFAOYSA-N -1 1 298.386 3.068 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccsc1 ZINC000232385653 572408347 /nfs/dbraw/zinc/40/83/47/572408347.db2.gz PMZOOERBWCBGQY-QMMMGPOBSA-N -1 1 265.309 3.084 20 0 CGADMM C[C@H]1CCc2ccccc2N1C(=O)c1ccccc1[O-] ZINC000019837787 572434639 /nfs/dbraw/zinc/43/46/39/572434639.db2.gz VOWRMWJCCQDGDK-LBPRGKRZSA-N -1 1 267.328 3.374 20 0 CGADMM CC1(C)CC[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000725893225 572484051 /nfs/dbraw/zinc/48/40/51/572484051.db2.gz VWEZIJVPRLTIKL-NSHDSACASA-N -1 1 271.282 3.478 20 0 CGADMM O=C([N-]c1nnc(C(F)F)s1)c1c(F)cccc1F ZINC000067524280 572519814 /nfs/dbraw/zinc/51/98/14/572519814.db2.gz DLMHFGOGOYAKCP-UHFFFAOYSA-N -1 1 291.229 3.006 20 0 CGADMM Cc1cccnc1[C@H](NCc1occc1C(=O)[O-])C(C)C ZINC000738786371 572640961 /nfs/dbraw/zinc/64/09/61/572640961.db2.gz OSNOCDSKBOOXFS-CQSZACIVSA-N -1 1 288.347 3.168 20 0 CGADMM Cc1nc(C)c(COC(=O)c2c([O-])cc(F)cc2F)s1 ZINC000744879592 572780909 /nfs/dbraw/zinc/78/09/09/572780909.db2.gz CVYLAYFKOAPYDT-UHFFFAOYSA-N -1 1 299.298 3.101 20 0 CGADMM CCC[C@@H]1CCCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000736435097 572791178 /nfs/dbraw/zinc/79/11/78/572791178.db2.gz JMKWKJIDGKQVPD-VXGBXAGGSA-N -1 1 286.383 3.033 20 0 CGADMM CCC[C@@H]1CCCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000736435097 572791181 /nfs/dbraw/zinc/79/11/81/572791181.db2.gz JMKWKJIDGKQVPD-VXGBXAGGSA-N -1 1 286.383 3.033 20 0 CGADMM C[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000745189395 572805611 /nfs/dbraw/zinc/80/56/11/572805611.db2.gz MQRBRVAPLWFJPU-JTQLQIEISA-N -1 1 267.756 3.308 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2cc(C(F)(F)F)no2)on1 ZINC000747989224 572957193 /nfs/dbraw/zinc/95/71/93/572957193.db2.gz KNFXEBBJPOBYAN-UHFFFAOYSA-N -1 1 289.213 3.057 20 0 CGADMM O=C([N-][C@H](c1cccs1)C1CC1)C(F)(F)C(F)F ZINC000749340278 572992371 /nfs/dbraw/zinc/99/23/71/572992371.db2.gz OXXJQEAHHZISCQ-QMMMGPOBSA-N -1 1 281.274 3.216 20 0 CGADMM Clc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822585525 607310864 /nfs/dbraw/zinc/31/08/64/607310864.db2.gz CFARWSUWYIXBCB-UHFFFAOYSA-N -1 1 291.767 3.194 20 0 CGADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCCCC1CC1 ZINC000823798276 599565742 /nfs/dbraw/zinc/56/57/42/599565742.db2.gz WDHUYGXIKPQGMN-UHFFFAOYSA-N -1 1 294.362 3.017 20 0 CGADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCCCC1CC1 ZINC000823798276 599565744 /nfs/dbraw/zinc/56/57/44/599565744.db2.gz WDHUYGXIKPQGMN-UHFFFAOYSA-N -1 1 294.362 3.017 20 0 CGADMM CCOc1ccc2nc(SC/C=C(\C)C(=O)[O-])[nH]c2c1 ZINC000214624228 600724720 /nfs/dbraw/zinc/72/47/20/600724720.db2.gz XDPGKGHUIRLIIN-RMKNXTFCSA-N -1 1 292.360 3.085 20 0 CGADMM C/C(=C\CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1)C(=O)[O-] ZINC000825730312 601049774 /nfs/dbraw/zinc/04/97/74/601049774.db2.gz UKKJAQRJMFWNAX-WKHXAAGLSA-N -1 1 289.375 3.398 20 0 CGADMM C/C(=C\CN(C)[C@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000214566718 601051675 /nfs/dbraw/zinc/05/16/75/601051675.db2.gz MAICGKBRFGOZSA-RJCSOLBVSA-N -1 1 267.756 3.364 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1ccc(OC(F)(F)F)cc1 ZINC000899347008 620647407 /nfs/dbraw/zinc/64/74/07/620647407.db2.gz FDXVQFCQJGWIML-UHFFFAOYSA-N -1 1 298.264 3.478 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])co1)[C@H](C)c1cccc(O)c1 ZINC000829718293 601375656 /nfs/dbraw/zinc/37/56/56/601375656.db2.gz GYFWOSCJGPCFHN-LLVKDONJSA-N -1 1 289.331 3.267 20 0 CGADMM Cc1[n-]n(-c2ncccc2C(F)(F)F)c(=O)c1C(C)C ZINC000899347210 620648513 /nfs/dbraw/zinc/64/85/13/620648513.db2.gz MYBVCPSORDJGIQ-JTQLQIEISA-N -1 1 285.269 3.095 20 0 CGADMM O=C([O-])c1sccc1CN1CC[C@@H]1c1ccccc1 ZINC000833347363 601829542 /nfs/dbraw/zinc/82/95/42/601829542.db2.gz AHVHOSCNSJJVSY-CYBMUJFWSA-N -1 1 273.357 3.393 20 0 CGADMM CC[C@](NC/C(Cl)=C/Cl)(C(=O)[O-])c1ccccc1 ZINC000828989074 602039588 /nfs/dbraw/zinc/03/95/88/602039588.db2.gz PCEREGICOAGXIY-BIRHUZIMSA-N -1 1 288.174 3.285 20 0 CGADMM O=C([O-])Nc1ccc(CNCc2ccc(Cl)cc2)cn1 ZINC000832842240 603534026 /nfs/dbraw/zinc/53/40/26/603534026.db2.gz RTLOLPGPULKTGK-UHFFFAOYSA-N -1 1 291.738 3.115 20 0 CGADMM Cc1ccc2c(c1)[C@H](NCc1ccc(C(=O)[O-])o1)CC2 ZINC000832962476 604330704 /nfs/dbraw/zinc/33/07/04/604330704.db2.gz YHDCDIVKDWGUJR-CQSZACIVSA-N -1 1 271.316 3.063 20 0 CGADMM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1ccc(C(C)C)cc1 ZINC000827022025 604406265 /nfs/dbraw/zinc/40/62/65/604406265.db2.gz PRDAWLGLAKITKU-MRXNPFEDSA-N -1 1 293.407 3.120 20 0 CGADMM Clc1cccc(Sc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826353260 607898420 /nfs/dbraw/zinc/89/84/20/607898420.db2.gz IGVFOOVXUBSMMH-UHFFFAOYSA-N -1 1 289.751 3.066 20 0 CGADMM Clc1cccc(Sc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826353260 607898421 /nfs/dbraw/zinc/89/84/21/607898421.db2.gz IGVFOOVXUBSMMH-UHFFFAOYSA-N -1 1 289.751 3.066 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC1CCC=CCC1 ZINC000899805438 620728210 /nfs/dbraw/zinc/72/82/10/620728210.db2.gz UBZUULLMJKPCLA-UHFFFAOYSA-N -1 1 279.767 3.203 20 0 CGADMM CCN(C(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(C)cc1 ZINC000900153183 620768986 /nfs/dbraw/zinc/76/89/86/620768986.db2.gz OGQIADLKNYCVOU-UHFFFAOYSA-N -1 1 297.358 3.035 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@]2(C)C=CCC2)c1 ZINC000924414561 618595624 /nfs/dbraw/zinc/59/56/24/618595624.db2.gz YBNOTVSDJSADTO-QGZVFWFLSA-N -1 1 288.343 3.037 20 0 CGADMM CCCCC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000889523509 618615041 /nfs/dbraw/zinc/61/50/41/618615041.db2.gz JUWXTISERCELET-UHFFFAOYSA-N -1 1 281.783 3.427 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnn(C2CCC2)c1 ZINC000935020594 618719593 /nfs/dbraw/zinc/71/95/93/618719593.db2.gz QWJVCIVDOKEQMJ-UHFFFAOYSA-N -1 1 291.738 3.219 20 0 CGADMM CC(C)C[C@H](C)CC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066640749 618863124 /nfs/dbraw/zinc/86/31/24/618863124.db2.gz HFDMLRRFDRYVLV-NSHDSACASA-N -1 1 298.456 3.210 20 0 CGADMM CC(C)n1cccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000191976028 619114697 /nfs/dbraw/zinc/11/46/97/619114697.db2.gz PYKGHMQLOLOGRO-UHFFFAOYSA-N -1 1 279.727 3.075 20 0 CGADMM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1c([O-])cccc1Cl ZINC000049094903 619696114 /nfs/dbraw/zinc/69/61/14/619696114.db2.gz WFGAVYJOZMBMJD-YPMHNXCESA-N -1 1 287.746 3.332 20 0 CGADMM CCN(CC1CC1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896312332 619991299 /nfs/dbraw/zinc/99/12/99/619991299.db2.gz OOXNNCFLBXIMOE-UHFFFAOYSA-N -1 1 285.343 3.123 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000896310912 619991750 /nfs/dbraw/zinc/99/17/50/619991750.db2.gz IEXLHFPLTQBQJS-NTZNESFSSA-N -1 1 294.782 3.033 20 0 CGADMM CCN(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CCC1 ZINC000896508553 620019754 /nfs/dbraw/zinc/01/97/54/620019754.db2.gz VMHJJTAKSJIPOM-UHFFFAOYSA-N -1 1 285.343 3.266 20 0 CGADMM O=c1nc(NCC[C@@H]2CCC(F)(F)C2)cc(Cl)[n-]1 ZINC000897236374 620167962 /nfs/dbraw/zinc/16/79/62/620167962.db2.gz HJPFHOWFPIZXEX-ZETCQYMHSA-N -1 1 277.702 3.073 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(CC(=O)[O-])cc2)o1 ZINC000901541895 620920700 /nfs/dbraw/zinc/92/07/00/620920700.db2.gz ZEGLTBNRARPGLT-MLGOLLRUSA-N -1 1 299.370 3.320 20 0 CGADMM O=c1cc(-c2ccccc2)nc(SC2CCOCC2)[n-]1 ZINC000901618757 620948303 /nfs/dbraw/zinc/94/83/03/620948303.db2.gz JODGEWDXCVCJEB-UHFFFAOYSA-N -1 1 288.372 3.120 20 0 CGADMM Cc1scc(CNCc2ccc(C(=O)[O-])cc2F)c1C ZINC000901754791 621013440 /nfs/dbraw/zinc/01/34/40/621013440.db2.gz DCPJQCTWSYVXHU-UHFFFAOYSA-N -1 1 293.363 3.492 20 0 CGADMM O=C([O-])CN(Cc1cc(-c2ccccc2)cs1)C1CC1 ZINC000901971098 621083849 /nfs/dbraw/zinc/08/38/49/621083849.db2.gz GBNSUSIQGMBHEE-UHFFFAOYSA-N -1 1 287.384 3.464 20 0 CGADMM C[C@H](CN(Cc1ncc(C(C)(C)C)s1)C1CC1)C(=O)[O-] ZINC000901994651 621089552 /nfs/dbraw/zinc/08/95/52/621089552.db2.gz UBTGFJIZAMBDEQ-SNVBAGLBSA-N -1 1 296.436 3.126 20 0 CGADMM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000902019762 621105961 /nfs/dbraw/zinc/10/59/61/621105961.db2.gz SKZRVYUWKYQMQK-XBFCOCLRSA-N -1 1 279.380 3.334 20 0 CGADMM CCc1oc(CN(C)Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000902063468 621134388 /nfs/dbraw/zinc/13/43/88/621134388.db2.gz ZGHWSXFSDOOQCR-UHFFFAOYSA-N -1 1 287.359 3.481 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000902170339 621183392 /nfs/dbraw/zinc/18/33/92/621183392.db2.gz DKAIFLZICYIYSM-CQSZACIVSA-N -1 1 289.306 3.202 20 0 CGADMM CCN(CCC(C)(C)C(=O)[O-])Cc1c(F)cccc1F ZINC000902212606 621185886 /nfs/dbraw/zinc/18/58/86/621185886.db2.gz DBTXKHJZFQRIBI-UHFFFAOYSA-N -1 1 285.334 3.288 20 0 CGADMM CC(C)(NCc1cc(C(=O)[O-])co1)c1cccs1 ZINC000902259186 621212604 /nfs/dbraw/zinc/21/26/04/621212604.db2.gz ORPKTDXJGZGDMJ-UHFFFAOYSA-N -1 1 265.334 3.064 20 0 CGADMM CC(C)Cc1ccccc1CNCc1ccc(C(=O)[O-])o1 ZINC000902354787 621286301 /nfs/dbraw/zinc/28/63/01/621286301.db2.gz LHVACCPYPDGKFK-UHFFFAOYSA-N -1 1 287.359 3.466 20 0 CGADMM O=C([O-])c1cccc(CNCc2ccc(C3CCC3)cc2)n1 ZINC000902444447 621321886 /nfs/dbraw/zinc/32/18/86/621321886.db2.gz OLSBRBNXUDBKAJ-UHFFFAOYSA-N -1 1 296.370 3.337 20 0 CGADMM Cc1oc(CN2CC(Cc3cccc(C)c3)C2)cc1C(=O)[O-] ZINC000902467216 621338223 /nfs/dbraw/zinc/33/82/23/621338223.db2.gz UOQZRAOQQWJQLF-UHFFFAOYSA-N -1 1 299.370 3.269 20 0 CGADMM Cc1noc(C)c1C(C)(C)NCc1ccc(C(=O)[O-])s1 ZINC000903687532 621785597 /nfs/dbraw/zinc/78/55/97/621785597.db2.gz DDWGTFQRQGKCSW-UHFFFAOYSA-N -1 1 294.376 3.076 20 0 CGADMM O=C([O-])c1cncc(CN2CCC[C@H]2c2ccsc2)c1 ZINC000903887218 621827901 /nfs/dbraw/zinc/82/79/01/621827901.db2.gz MYWOEQSNRMGMNV-AWEZNQCLSA-N -1 1 288.372 3.178 20 0 CGADMM CCCCCCN(Cc1ccco1)[C@H](C)C(=O)[O-] ZINC000903961102 621837430 /nfs/dbraw/zinc/83/74/30/621837430.db2.gz LGBNQXPWXLQJHE-GFCCVEGCSA-N -1 1 253.342 3.135 20 0 CGADMM Cc1cc(F)ccc1[C@@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000905726809 622101180 /nfs/dbraw/zinc/10/11/80/622101180.db2.gz GWUZESYVBFFXEW-SNVBAGLBSA-N -1 1 277.295 3.276 20 0 CGADMM CCC(F)(F)C(=O)Nc1cccc([O-])c1Br ZINC000908711128 622368919 /nfs/dbraw/zinc/36/89/19/622368919.db2.gz PRCULQHZXVRNPO-UHFFFAOYSA-N -1 1 294.095 3.139 20 0 CGADMM CC(C)[C@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908713422 622369878 /nfs/dbraw/zinc/36/98/78/622369878.db2.gz SOSNNHANUACPIM-QMMMGPOBSA-N -1 1 286.169 3.385 20 0 CGADMM O=C(OC[C@@H]1CCCC2(CCC2)O1)c1ccc([O-])cc1F ZINC000909136243 622398866 /nfs/dbraw/zinc/39/88/66/622398866.db2.gz VJXWKKHXBOTASA-LBPRGKRZSA-N -1 1 294.322 3.180 20 0 CGADMM C[C@@H](O)CCCOC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000909858221 622429186 /nfs/dbraw/zinc/42/91/86/622429186.db2.gz DQOMAEJGEREZKE-SSDOTTSWSA-N -1 1 293.146 3.017 20 0 CGADMM C[C@H](CC(=O)Nc1cc([O-])c(F)cc1F)C1CC1 ZINC000909980018 622441733 /nfs/dbraw/zinc/44/17/33/622441733.db2.gz XNWOLUFSZWDKHG-SSDOTTSWSA-N -1 1 255.264 3.045 20 0 CGADMM C[C@H]1CCC[C@H](OCC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909981454 622444160 /nfs/dbraw/zinc/44/41/60/622444160.db2.gz QFNACGXGKWVFDU-UWVGGRQHSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@@H]1CCC[C@@H](C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909981058 622444682 /nfs/dbraw/zinc/44/46/82/622444682.db2.gz LMFZUKNYQDNURX-RKDXNWHRSA-N -1 1 269.291 3.435 20 0 CGADMM CCc1csc([C@H](C)NC(=O)c2ccc([O-])cc2F)n1 ZINC000910728395 622500047 /nfs/dbraw/zinc/50/00/47/622500047.db2.gz CUWDDZOCJGCSPD-QMMMGPOBSA-N -1 1 294.351 3.041 20 0 CGADMM CC[C@H]1C[C@@H](CC(=O)Nc2cc(F)cc(F)c2[O-])CCO1 ZINC000910981476 622512195 /nfs/dbraw/zinc/51/21/95/622512195.db2.gz DGAHJNNEBZTIBJ-ONGXEEELSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCCCCC(=O)C1 ZINC000910986436 622513473 /nfs/dbraw/zinc/51/34/73/622513473.db2.gz GVIXUQIIPPATDY-VIFPVBQESA-N -1 1 297.301 3.148 20 0 CGADMM C[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000910983901 622513485 /nfs/dbraw/zinc/51/34/85/622513485.db2.gz YBRRFFDKWVDUSZ-ZETCQYMHSA-N -1 1 257.280 3.291 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N1[N-]C(=O)C(F)(F)c1ccccc1 ZINC000916032094 624106285 /nfs/dbraw/zinc/10/62/85/624106285.db2.gz ONBDKPZRZFBRJH-VXGBXAGGSA-N -1 1 282.334 3.073 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)n1 ZINC000917512043 624277596 /nfs/dbraw/zinc/27/75/96/624277596.db2.gz AEWUZQSNAOAXEU-LETLQTKMSA-N -1 1 286.347 3.128 20 0 CGADMM O=c1cc(C(F)F)nc(SC2CCSCC2)[n-]1 ZINC000917747575 624309244 /nfs/dbraw/zinc/30/92/44/624309244.db2.gz VFNPOVXJCZCRHA-UHFFFAOYSA-N -1 1 278.349 3.108 20 0 CGADMM Cc1nc(S[C@H](C)C2CC2)[n-]c(=O)c1C1CC1 ZINC000918462903 624348298 /nfs/dbraw/zinc/34/82/98/624348298.db2.gz JXNQDDKXAQMHCI-MRVPVSSYSA-N -1 1 250.367 3.259 20 0 CGADMM Cc1ccc(CCC(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000788159529 626358262 /nfs/dbraw/zinc/35/82/62/626358262.db2.gz YZPALDVYXBDUKS-UHFFFAOYSA-N -1 1 290.750 3.320 20 0 CGADMM O=C([N-]c1ccon1)c1cc(-c2ccccc2Cl)on1 ZINC000755764915 626643622 /nfs/dbraw/zinc/64/36/22/626643622.db2.gz FLFQNZCFQNWZTP-UHFFFAOYSA-N -1 1 289.678 3.235 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)Cc1cc2cc(Cl)ccc2[nH]1 ZINC000839778223 626787360 /nfs/dbraw/zinc/78/73/60/626787360.db2.gz WHNKKQWUEAHQSE-JTQLQIEISA-N -1 1 294.782 3.458 20 0 CGADMM COc1ccc(/C=C/C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000759701023 626916307 /nfs/dbraw/zinc/91/63/07/626916307.db2.gz JAIANLOWKGZSFP-RUDMXATFSA-N -1 1 287.290 3.192 20 0 CGADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc[nH]1 ZINC000760722933 626987107 /nfs/dbraw/zinc/98/71/07/626987107.db2.gz AVORANNCMNWRBB-NSHDSACASA-N -1 1 280.327 3.365 20 0 CGADMM C[C@H]1CC2(CCC2)CN1C(=O)c1c([O-])cccc1Cl ZINC000762534924 627114597 /nfs/dbraw/zinc/11/45/97/627114597.db2.gz FELCFEKWYBABNQ-JTQLQIEISA-N -1 1 279.767 3.450 20 0 CGADMM CC[C@@H](CC(=O)[N-]OCC(F)(F)F)c1ccc(C)cc1 ZINC000766763265 627358883 /nfs/dbraw/zinc/35/88/83/627358883.db2.gz DKUDKBSTGIHHRB-NSHDSACASA-N -1 1 289.297 3.489 20 0 CGADMM O=c1cc(C2CC2)nc(SCC(F)(F)C(F)F)[n-]1 ZINC000767088001 627381414 /nfs/dbraw/zinc/38/14/14/627381414.db2.gz CFVBEPZCJJYFSW-UHFFFAOYSA-N -1 1 282.262 3.052 20 0 CGADMM Cc1ccc([C@H](C)NC(=O)c2ccc([O-])c(F)c2)s1 ZINC000767319810 627398321 /nfs/dbraw/zinc/39/83/21/627398321.db2.gz MMWKJBUVPGNTTI-VIFPVBQESA-N -1 1 279.336 3.392 20 0 CGADMM Cc1ccc2c(c1)CCN2C(=O)c1ccc([O-])c(F)c1 ZINC000768386154 627478113 /nfs/dbraw/zinc/47/81/13/627478113.db2.gz LVUSUAZRTUTJBM-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM CC(C)[C@H](C)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769665786 627572015 /nfs/dbraw/zinc/57/20/15/627572015.db2.gz AOZBXWNBLCWBHD-VIFPVBQESA-N -1 1 255.745 3.162 20 0 CGADMM C[C@H](c1ccco1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769672999 627572409 /nfs/dbraw/zinc/57/24/09/627572409.db2.gz APDSJNBUQQQDLA-SECBINFHSA-N -1 1 279.723 3.472 20 0 CGADMM CC(C)[C@@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000769724887 627574598 /nfs/dbraw/zinc/57/45/98/627574598.db2.gz BLRICYDJMIPSRG-NSHDSACASA-N -1 1 267.756 3.306 20 0 CGADMM CC(C)C(C)(C)NC(=O)c1c([O-])cccc1Cl ZINC000769751485 627576143 /nfs/dbraw/zinc/57/61/43/627576143.db2.gz JWVNLGQHVMBVST-UHFFFAOYSA-N -1 1 255.745 3.210 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H]1C1CCC1 ZINC000769758971 627576299 /nfs/dbraw/zinc/57/62/99/627576299.db2.gz DYRFMSMDLDOYPD-LBPRGKRZSA-N -1 1 279.767 3.450 20 0 CGADMM CC(C)N(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000769764679 627577083 /nfs/dbraw/zinc/57/70/83/627577083.db2.gz OJIWVLLJYGLYKI-UHFFFAOYSA-N -1 1 253.729 3.059 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N(CC1CC1)CC1CC1 ZINC000769864052 627584653 /nfs/dbraw/zinc/58/46/53/627584653.db2.gz PBTLRGFJGOCNFH-UHFFFAOYSA-N -1 1 279.767 3.308 20 0 CGADMM CC(C)N(CC(F)F)C(=O)c1c([O-])cccc1Cl ZINC000770031166 627599249 /nfs/dbraw/zinc/59/92/49/627599249.db2.gz WTWNIGZXPPKWHK-UHFFFAOYSA-N -1 1 277.698 3.161 20 0 CGADMM O=C(/C=C\c1ccnc(Cl)c1)Nc1c([O-])cccc1F ZINC000770861660 627649017 /nfs/dbraw/zinc/64/90/17/627649017.db2.gz JVZLHYJYGPDBSC-PLNGDYQASA-N -1 1 292.697 3.232 20 0 CGADMM CC(C)c1nsc([N-]C(=O)c2ccoc2Cl)n1 ZINC000874694445 634593974 /nfs/dbraw/zinc/59/39/74/634593974.db2.gz QFSDXDFDNPTASD-UHFFFAOYSA-N -1 1 271.729 3.160 20 0 CGADMM C/C(=C\C(C)(C)C)C(=O)Nc1c([O-])cccc1F ZINC000773495062 627890113 /nfs/dbraw/zinc/89/01/13/627890113.db2.gz BUSYKGRPRSAZHU-CMDGGOBGSA-N -1 1 251.301 3.462 20 0 CGADMM COC1(CNC(=O)c2c([O-])cccc2Cl)CCCCC1 ZINC000774779739 628027966 /nfs/dbraw/zinc/02/79/66/628027966.db2.gz ZHORFDNRKKGRPC-UHFFFAOYSA-N -1 1 297.782 3.125 20 0 CGADMM COc1cc(Cl)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000775349383 628085276 /nfs/dbraw/zinc/08/52/76/628085276.db2.gz JKXDYVXSGAMEIE-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM Cc1nc(SCCc2cccs2)[n-]c(=O)c1C ZINC000776867333 628237647 /nfs/dbraw/zinc/23/76/47/628237647.db2.gz BPLXLWCPEGOPPR-UHFFFAOYSA-N -1 1 266.391 3.195 20 0 CGADMM Cc1cccc([C@H](C)C(=O)[N-]OCCC(F)(F)F)c1 ZINC000777974486 628317543 /nfs/dbraw/zinc/31/75/43/628317543.db2.gz GMJUZFJZVYTLHV-JTQLQIEISA-N -1 1 275.270 3.099 20 0 CGADMM Cc1oc2ccccc2c1C=C1SC(=O)[N-]C1=O ZINC000874928046 634654483 /nfs/dbraw/zinc/65/44/83/634654483.db2.gz JHPSZPQPYYWDFU-WDZFZDKYSA-N -1 1 259.286 3.065 20 0 CGADMM CC/C(C)=C(\C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000780217815 628463125 /nfs/dbraw/zinc/46/31/25/628463125.db2.gz CYKFLAJGZMXGQJ-VAWYXSNFSA-N -1 1 290.359 3.427 20 0 CGADMM O=C(OCCSc1ccccc1)c1ccc([O-])cc1F ZINC000784517880 628819119 /nfs/dbraw/zinc/81/91/19/628819119.db2.gz OWCZYQYYJSSWOG-UHFFFAOYSA-N -1 1 292.331 3.480 20 0 CGADMM CC1(NC(=O)NCc2ccc([O-])c(Cl)c2)CCCC1 ZINC000875230486 634683976 /nfs/dbraw/zinc/68/39/76/634683976.db2.gz CTTXRPYDHDFUCP-UHFFFAOYSA-N -1 1 282.771 3.178 20 0 CGADMM O=C(Cc1ccccc1Cl)Nc1nc(Cl)ccc1[O-] ZINC000789930606 629174903 /nfs/dbraw/zinc/17/49/03/629174903.db2.gz ZYYXVWNODHRYIL-UHFFFAOYSA-N -1 1 297.141 3.275 20 0 CGADMM CC/C(C)=C(/C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000790042771 629179092 /nfs/dbraw/zinc/17/90/92/629179092.db2.gz LMHBYCBMMQQLAL-FPLPWBNLSA-N -1 1 299.168 3.235 20 0 CGADMM C[C@H]1CCC[C@H]1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790048516 629179948 /nfs/dbraw/zinc/17/99/48/629179948.db2.gz RQWRSHLRXZVXGR-IUCAKERBSA-N -1 1 268.744 3.205 20 0 CGADMM CC1(C(=O)Nc2nc(Cl)ccc2[O-])CCCCC1 ZINC000790046669 629179985 /nfs/dbraw/zinc/17/99/85/629179985.db2.gz LISRODIWGHCION-UHFFFAOYSA-N -1 1 268.744 3.350 20 0 CGADMM C[C@H]1CC(F)(F)CCN1C(=O)c1c([O-])cccc1Cl ZINC000863011387 629460564 /nfs/dbraw/zinc/46/05/64/629460564.db2.gz JRAWJSKNDFIOEG-QMMMGPOBSA-N -1 1 289.709 3.305 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@]12C[C@H]1CCCC2 ZINC000864858376 629933487 /nfs/dbraw/zinc/93/34/87/629933487.db2.gz INJFAQCLMLYTQE-SJKOYZFVSA-N -1 1 297.358 3.301 20 0 CGADMM O=C([N-][C@@H]1C[C@H]1c1ccc(Cl)cc1)C(F)(F)C(F)F ZINC000798018597 630016291 /nfs/dbraw/zinc/01/62/91/630016291.db2.gz OFCCZNRVPJYNHV-DTWKUNHWSA-N -1 1 295.663 3.213 20 0 CGADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)C(C)(C)C ZINC000865368206 630078095 /nfs/dbraw/zinc/07/80/95/630078095.db2.gz NEWBSYAVYDGSOQ-LURJTMIESA-N -1 1 290.335 3.216 20 0 CGADMM Cc1nc(SC/C=C\Cl)[n-]c(=O)c1C1CC1 ZINC000865373345 630082335 /nfs/dbraw/zinc/08/23/35/630082335.db2.gz PYRIGHDIQKAMSC-DJWKRKHSSA-N -1 1 256.758 3.213 20 0 CGADMM CC1=C(C)CN(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000876396932 634826483 /nfs/dbraw/zinc/82/64/83/634826483.db2.gz SKXMJHZXNXLHPH-UHFFFAOYSA-N -1 1 294.782 3.297 20 0 CGADMM CC[C@@H]1[C@@H](C)CCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876396093 634826633 /nfs/dbraw/zinc/82/66/33/634826633.db2.gz WVSAGRLHXQMCHZ-GXFFZTMASA-N -1 1 296.798 3.376 20 0 CGADMM Cc1cnc(CSc2nc(C(F)F)cc(=O)[n-]2)s1 ZINC000809987176 630823878 /nfs/dbraw/zinc/82/38/78/630823878.db2.gz VBQPLSUKPRIGET-UHFFFAOYSA-N -1 1 289.332 3.177 20 0 CGADMM CCc1ccc([C@@H](C)C(=O)[N-]OC/C=C/Cl)cc1 ZINC000812401687 631245089 /nfs/dbraw/zinc/24/50/89/631245089.db2.gz NJUPBKFNQGIFQU-VCFDLTMXSA-N -1 1 267.756 3.153 20 0 CGADMM CCCCCCOCC(=O)Nc1ccc([O-])c(F)c1F ZINC000837086400 634852176 /nfs/dbraw/zinc/85/21/76/634852176.db2.gz MEVUZNBBAKKTRG-UHFFFAOYSA-N -1 1 287.306 3.206 20 0 CGADMM Cc1c(C(=O)Nc2nc(Cl)ccc2[O-])ccn1C(C)C ZINC000816426577 631969050 /nfs/dbraw/zinc/96/90/50/631969050.db2.gz NTVWGXIACOASAV-UHFFFAOYSA-N -1 1 293.754 3.384 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)[C@H](CC)c1ccc(OC)cc1 ZINC000816976963 632066152 /nfs/dbraw/zinc/06/61/52/632066152.db2.gz NLFCXVXUZNQCNT-IUODEOHRSA-N -1 1 279.380 3.283 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1F)c1ccc([O-])c(F)c1 ZINC000817085232 632076229 /nfs/dbraw/zinc/07/62/29/632076229.db2.gz XFBDPNBUQBACJA-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM C[C@H](C(=O)[N-]OCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000817325095 632121052 /nfs/dbraw/zinc/12/10/52/632121052.db2.gz XDEAWDDYHCVTJC-VIFPVBQESA-N -1 1 287.281 3.267 20 0 CGADMM CCC(=CC(=O)n1[n-]c(=O)c2ccc(OC)cc21)CC ZINC000819945997 632543778 /nfs/dbraw/zinc/54/37/78/632543778.db2.gz NFBAANKJXLNXLN-UHFFFAOYSA-N -1 1 274.320 3.137 20 0 CGADMM CC(=CC(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1Cl ZINC000820403614 632620234 /nfs/dbraw/zinc/62/02/34/632620234.db2.gz WYAAPVHBXHLSFM-BQYQJAHWSA-N -1 1 291.738 3.119 20 0 CGADMM COc1cnc(C=Cc2ccc(SC)cc2)[n-]c1=O ZINC000821007739 632710901 /nfs/dbraw/zinc/71/09/01/632710901.db2.gz KVSZYWYBIMQKGG-VMPITWQZSA-N -1 1 274.345 3.083 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000821970979 632850647 /nfs/dbraw/zinc/85/06/47/632850647.db2.gz VDQUJUSIFIHFNX-LPEHRKFASA-N -1 1 281.302 3.435 20 0 CGADMM CC(C)[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(F)c2F)CCO1 ZINC000821980295 632851843 /nfs/dbraw/zinc/85/18/43/632851843.db2.gz MRVWFXXEGSVDNA-SKDRFNHKSA-N -1 1 299.317 3.060 20 0 CGADMM CC(C)c1scnc1[N-]C(=O)c1cc(Cl)no1 ZINC000822990988 633047641 /nfs/dbraw/zinc/04/76/41/633047641.db2.gz GIOGUSNYSKTASB-UHFFFAOYSA-N -1 1 271.729 3.160 20 0 CGADMM O=C(Cc1csc(C2CC2)n1)Nc1cccc(F)c1[O-] ZINC000824990009 633316030 /nfs/dbraw/zinc/31/60/30/633316030.db2.gz MPJDUOWHVVPOJI-UHFFFAOYSA-N -1 1 292.335 3.046 20 0 CGADMM CO[C@@H]1CC[C@H](C)N(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000870706698 633630585 /nfs/dbraw/zinc/63/05/85/633630585.db2.gz CXGFABYNOFTYCA-GXTWGEPZSA-N -1 1 299.370 3.185 20 0 CGADMM CO[C@H]1CC[C@H](C)N(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000870706699 633630844 /nfs/dbraw/zinc/63/08/44/633630844.db2.gz CXGFABYNOFTYCA-JSGCOSHPSA-N -1 1 299.370 3.185 20 0 CGADMM O=S(=O)([N-]C1CC2(CCC2)C1)c1cc2ccccc2o1 ZINC000846037471 636134524 /nfs/dbraw/zinc/13/45/24/636134524.db2.gz PGTRRSBDQZMJKK-UHFFFAOYSA-N -1 1 291.372 3.044 20 0 CGADMM CC(C)c1cnc(CN2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000871621446 633805255 /nfs/dbraw/zinc/80/52/55/633805255.db2.gz CDFDCQUMFANFTM-GFCCVEGCSA-N -1 1 296.436 3.343 20 0 CGADMM CC(C)CCn1ccc([N-]S(=O)(=O)C2=CCCCC2)n1 ZINC000829887193 633807134 /nfs/dbraw/zinc/80/71/34/633807134.db2.gz JRSDDWWIRXOUGC-UHFFFAOYSA-N -1 1 297.424 3.129 20 0 CGADMM CC[C@@H](CC(F)(F)F)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000830184419 633837145 /nfs/dbraw/zinc/83/71/45/633837145.db2.gz FAJVLULAWGSNAT-LURJTMIESA-N -1 1 296.676 3.358 20 0 CGADMM Cc1ccccc1Cn1[n-]c2c(c1=O)CCc1ccccc1-2 ZINC000871944375 633921797 /nfs/dbraw/zinc/92/17/97/633921797.db2.gz KVDPRGVTPUIVDF-KRWDZBQOSA-N -1 1 290.366 3.304 20 0 CGADMM O=C([O-])c1ccccc1-n1[nH]c2c(c1=O)CCCCCC2 ZINC000871948229 633922715 /nfs/dbraw/zinc/92/27/15/633922715.db2.gz LKRZGZDAHWLHCU-NSHDSACASA-N -1 1 286.331 3.058 20 0 CGADMM CC1(C)CCc2c([n-]n(Cc3cc(F)ccc3F)c2=O)C1 ZINC000871948473 633923900 /nfs/dbraw/zinc/92/39/00/633923900.db2.gz OZTBHGQEILMMDN-GFCCVEGCSA-N -1 1 292.329 3.489 20 0 CGADMM CCCc1[n-]n(C[C@H]2CCCC2(F)F)c(=O)c1CC ZINC000871963475 633930618 /nfs/dbraw/zinc/93/06/18/633930618.db2.gz NWQPOYIDNAOBDH-MNOVXSKESA-N -1 1 272.339 3.446 20 0 CGADMM Cc1ccc(CN2CC=C(C(F)(F)F)CC2)cc1C(=O)[O-] ZINC000872158966 634068652 /nfs/dbraw/zinc/06/86/52/634068652.db2.gz JZEASPPSCSIWRP-UHFFFAOYSA-N -1 1 299.292 3.388 20 0 CGADMM C[C@@H]([N-]C(=O)C(F)(F)F)c1cccc(C2CC2)c1 ZINC000833037391 634105981 /nfs/dbraw/zinc/10/59/81/634105981.db2.gz YEMOTDBAKKDTQV-MRVPVSSYSA-N -1 1 257.255 3.304 20 0 CGADMM [O-]c1ccc(CNc2ccnc(C3CC3)n2)cc1Cl ZINC000872727188 634197653 /nfs/dbraw/zinc/19/76/53/634197653.db2.gz ZKGTVCMDNDTFKE-UHFFFAOYSA-N -1 1 275.739 3.325 20 0 CGADMM Cc1nc(-c2ccc(N[C@H]3CC34CCC4)nc2)[n-]c(=O)c1C ZINC000872774523 634206527 /nfs/dbraw/zinc/20/65/27/634206527.db2.gz CSSMRLHDLSCTGH-ZDUSSCGKSA-N -1 1 296.374 3.216 20 0 CGADMM C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872882892 634217726 /nfs/dbraw/zinc/21/77/26/634217726.db2.gz KDHBWNZAZRZNIA-SKDRFNHKSA-N -1 1 282.771 3.033 20 0 CGADMM CC1(C)CC(NC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000873075483 634242665 /nfs/dbraw/zinc/24/26/65/634242665.db2.gz YTHOJIDKYLZUPQ-UHFFFAOYSA-N -1 1 282.771 3.033 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000834821780 634248114 /nfs/dbraw/zinc/24/81/14/634248114.db2.gz GLTHWVHNGWVOIP-TUAOUCFPSA-N -1 1 279.767 3.098 20 0 CGADMM CC(C)(C)OCCCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834827047 634249311 /nfs/dbraw/zinc/24/93/11/634249311.db2.gz WJDYWQQZOJJCCA-UHFFFAOYSA-N -1 1 299.798 3.257 20 0 CGADMM Cc1ccc2c(c1)N[C@@H](c1ccc([O-])c(Cl)c1)NC2=O ZINC000877863324 635245153 /nfs/dbraw/zinc/24/51/53/635245153.db2.gz DRMMTSOVWXBMGR-CQSZACIVSA-N -1 1 288.734 3.208 20 0 CGADMM O=C(CC1C2CC3CC(C2)CC1C3)[N-]OCC(F)(F)F ZINC000845831220 636104799 /nfs/dbraw/zinc/10/47/99/636104799.db2.gz LMQBLHKYCLUXEE-UHFFFAOYSA-N -1 1 291.313 3.059 20 0 CGADMM CC(C)C[C@H](C(=O)[O-])N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000846233644 636164353 /nfs/dbraw/zinc/16/43/53/636164353.db2.gz SKZRVYUWKYQMQK-IACUBPJLSA-N -1 1 279.380 3.334 20 0 CGADMM Cc1ccc(CN(Cc2ccccc2CC(=O)[O-])C2CC2)o1 ZINC000846240079 636165292 /nfs/dbraw/zinc/16/52/92/636165292.db2.gz VQJVBQGNVMWUJU-UHFFFAOYSA-N -1 1 299.370 3.380 20 0 CGADMM O=C([O-])Cc1ccccc1CN1CCc2cc(F)ccc2C1 ZINC000846246213 636166803 /nfs/dbraw/zinc/16/68/03/636166803.db2.gz KFHXBFHXIDDMGX-UHFFFAOYSA-N -1 1 299.345 3.011 20 0 CGADMM O=C(NCC1CCC=CCC1)c1ccc([O-])cc1F ZINC000886020347 637367865 /nfs/dbraw/zinc/36/78/65/637367865.db2.gz ZYQODJCVVLYILQ-UHFFFAOYSA-N -1 1 263.312 3.008 20 0 CGADMM C[C@@H]1C[C@H](C(=O)Nc2cc(F)c([O-])cc2Cl)CCC1=O ZINC000885675831 638036170 /nfs/dbraw/zinc/03/61/70/638036170.db2.gz CCFCKMRVZXTJJK-HTQZYQBOSA-N -1 1 299.729 3.129 20 0 CGADMM COC[C@H](C)[C@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678906 638048707 /nfs/dbraw/zinc/04/87/07/638048707.db2.gz XIOKOKZIMVVSJC-YUMQZZPRSA-N -1 1 289.734 3.042 20 0 CGADMM CCCC[C@H](CC)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858340021 638686582 /nfs/dbraw/zinc/68/65/82/638686582.db2.gz ROLAURFFCNPQHM-VIFPVBQESA-N -1 1 257.765 3.464 20 0 CGADMM O=c1nc(N2CCC[C@]3(CC=CCC3)C2)cc(Cl)[n-]1 ZINC000858411888 638707229 /nfs/dbraw/zinc/70/72/29/638707229.db2.gz GBDTUIWQEFGSMX-CQSZACIVSA-N -1 1 279.771 3.162 20 0 CGADMM CCS[C@@H]1CCC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858435293 638717755 /nfs/dbraw/zinc/71/77/55/638717755.db2.gz DOEYFMFXBQXDOY-RKDXNWHRSA-N -1 1 287.816 3.312 20 0 CGADMM CC(C)C[C@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858444976 638721128 /nfs/dbraw/zinc/72/11/28/638721128.db2.gz WPUNNUQJMWBCAS-SNVBAGLBSA-N -1 1 269.776 3.098 20 0 CGADMM C[C@@H](CCCC(F)(F)F)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858515528 638753836 /nfs/dbraw/zinc/75/38/36/638753836.db2.gz NVVUZXWAUWHTCH-LURJTMIESA-N -1 1 283.681 3.369 20 0 CGADMM O=c1nc(NC[C@H]2CCCCC(F)(F)C2)cc(Cl)[n-]1 ZINC000858553630 638760245 /nfs/dbraw/zinc/76/02/45/638760245.db2.gz RQEGCHRIOXCKCT-QMMMGPOBSA-N -1 1 291.729 3.463 20 0 CGADMM Cc1ccccc1-c1nc(=NOCCOC(C)C)s[n-]1 ZINC000858552229 638760279 /nfs/dbraw/zinc/76/02/79/638760279.db2.gz DBTFXSXYDLTTLD-UHFFFAOYSA-N -1 1 293.392 3.282 20 0 CGADMM O=c1nc(NCC2CCCCCC2)cc(Cl)[n-]1 ZINC000858560730 638761675 /nfs/dbraw/zinc/76/16/75/638761675.db2.gz YBJMRJKWSJPOSQ-UHFFFAOYSA-N -1 1 255.749 3.218 20 0 CGADMM O=C(Nc1cnn(C2CCCC2)c1)c1ccc([O-])c(F)c1 ZINC000928792950 638892881 /nfs/dbraw/zinc/89/28/81/638892881.db2.gz HJELFLCFTIRSRU-UHFFFAOYSA-N -1 1 289.310 3.095 20 0 CGADMM CC[C@H](CNc1cc(Cl)[n-]c(=O)n1)CC(F)(F)F ZINC000858571152 638995677 /nfs/dbraw/zinc/99/56/77/638995677.db2.gz YNQHZJUBASHIKS-LURJTMIESA-N -1 1 283.681 3.226 20 0 CGADMM CC1(C)CCC[C@H]1[C@@H]1CCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858600367 638999733 /nfs/dbraw/zinc/99/97/33/638999733.db2.gz QXYWQGJSUNFESY-MNOVXSKESA-N -1 1 295.814 3.488 20 0 CGADMM C[C@H](Nc1cc(Cl)[n-]c(=O)n1)[C@@H]1CC2CCC1CC2 ZINC000858609121 639002576 /nfs/dbraw/zinc/00/25/76/639002576.db2.gz OSTCMCVKVLDOGS-PMUOWJKOSA-N -1 1 281.787 3.462 20 0 CGADMM CCCn1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000190971140 640280835 /nfs/dbraw/zinc/28/08/35/640280835.db2.gz MWHKOFZQHBIUKN-UHFFFAOYSA-N -1 1 294.742 3.296 20 0 CGADMM CC(C)(C)c1ccccc1NC(=O)c1cncc([O-])c1 ZINC000082323977 640574129 /nfs/dbraw/zinc/57/41/29/640574129.db2.gz YGKXFNLRIHGEIT-UHFFFAOYSA-N -1 1 270.332 3.337 20 0 CGADMM Cc1cc([C@H](C)NCc2ccc(C(=O)[O-])cn2)c(C)s1 ZINC000094760375 640802801 /nfs/dbraw/zinc/80/28/01/640802801.db2.gz ABXAGAYPITZBIH-JTQLQIEISA-N -1 1 290.388 3.309 20 0 CGADMM [O-]c1cc(F)cc(-c2nccc(C(F)(F)F)n2)c1 ZINC001250466002 805633429 /nfs/dbraw/zinc/63/34/29/805633429.db2.gz CNNZFONIVMCXJI-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM CC(=O)c1ccc2c(c1)nc(-c1c([O-])cccc1F)n2C ZINC001250673746 805753897 /nfs/dbraw/zinc/75/38/97/805753897.db2.gz DWLKSAHLTBGKLN-UHFFFAOYSA-N -1 1 284.290 3.288 20 0 CGADMM CC(=O)c1ccc2[nH]c(-c3cccc(F)c3[O-])nc2c1 ZINC001250683811 805755377 /nfs/dbraw/zinc/75/53/77/805755377.db2.gz QVQWHRHRECKKLU-UHFFFAOYSA-N -1 1 270.263 3.277 20 0 CGADMM COCOc1ccc2[nH]c(-c3cccc(F)c3[O-])nc2c1 ZINC001250683530 805755516 /nfs/dbraw/zinc/75/55/16/805755516.db2.gz KATLRCKLLSIIJU-UHFFFAOYSA-N -1 1 288.278 3.057 20 0 CGADMM COc1cc2nc(-c3c(F)ccc(F)c3[O-])[nH]c2cc1F ZINC001250803604 805779309 /nfs/dbraw/zinc/77/93/09/805779309.db2.gz SNCXOLNZQHVMDB-UHFFFAOYSA-N -1 1 294.232 3.361 20 0 CGADMM COc1cccc2[nH]c(-c3cc(F)c(F)cc3[O-])nc21 ZINC001250966631 805810434 /nfs/dbraw/zinc/81/04/34/805810434.db2.gz FUDGUAHEDDCFCJ-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM COc1cccc2[nH]c(-c3c(F)cc([O-])cc3F)nc21 ZINC001251007632 805826141 /nfs/dbraw/zinc/82/61/41/805826141.db2.gz MENIRNPAMQNKPR-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM Cn1c2ccc(F)cc2nc1-c1c(F)cc([O-])cc1F ZINC001251007335 805826303 /nfs/dbraw/zinc/82/63/03/805826303.db2.gz HKPRPYBIRMWREM-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM Cc1cccc2nc(-c3sccc3C(=O)[O-])[nH]c21 ZINC001251010469 805828690 /nfs/dbraw/zinc/82/86/90/805828690.db2.gz BJWPIBNLCWOQPT-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM Cc1ccc2nc(-c3ccc(C(=O)[O-])cc3O)[nH]c2c1C ZINC001251017445 805829281 /nfs/dbraw/zinc/82/92/81/805829281.db2.gz WAEMLCWRCCRDAD-UHFFFAOYSA-N -1 1 282.299 3.251 20 0 CGADMM C[C@]12CN(C(=O)c3cccc([O-])c3F)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001157580363 805839358 /nfs/dbraw/zinc/83/93/58/805839358.db2.gz LWZQBFAWIKSZQO-IANATYFASA-N -1 1 289.350 3.040 20 0 CGADMM COc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)c(C)c1 ZINC001157806349 805875626 /nfs/dbraw/zinc/87/56/26/805875626.db2.gz ZHJDWKNQEYZUOY-UHFFFAOYSA-N -1 1 293.269 3.240 20 0 CGADMM C=Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC001251664410 805920034 /nfs/dbraw/zinc/92/00/34/805920034.db2.gz BIZMRJWYXWMRPB-UHFFFAOYSA-N -1 1 277.320 3.270 20 0 CGADMM Cc1ccoc1C(=O)Nc1cccc([O-])c1Br ZINC001158825514 806009411 /nfs/dbraw/zinc/00/94/11/806009411.db2.gz PUWWVJVKVUAJDL-UHFFFAOYSA-N -1 1 296.120 3.308 20 0 CGADMM CC(C)c1cccc([N-]S(=O)(=O)Cc2ccccc2)n1 ZINC001252811605 806125579 /nfs/dbraw/zinc/12/55/79/806125579.db2.gz XJEFKXAETBVALX-UHFFFAOYSA-N -1 1 290.388 3.147 20 0 CGADMM O=C([O-])c1cc(F)c(Nc2ccc3c[nH]nc3c2)c(F)c1 ZINC001159662710 806144537 /nfs/dbraw/zinc/14/45/37/806144537.db2.gz AOBSSBCFFYTHBT-UHFFFAOYSA-N -1 1 289.241 3.283 20 0 CGADMM Cc1cccc(-c2nnc(-c3nc(C(F)(F)F)c[n-]3)o2)c1 ZINC001253682902 806279001 /nfs/dbraw/zinc/27/90/01/806279001.db2.gz GGZIKPLAABXDLA-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM Cc1cccc(-c2nnc(-c3ncc(C(F)(F)F)[n-]3)o2)c1 ZINC001253682902 806279007 /nfs/dbraw/zinc/27/90/07/806279007.db2.gz GGZIKPLAABXDLA-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM CCCS(=O)(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001253705623 806280771 /nfs/dbraw/zinc/28/07/71/806280771.db2.gz YTYVCDQWEWGAGK-UHFFFAOYSA-N -1 1 298.191 3.159 20 0 CGADMM CCCc1nnc(-c2ccc(C(F)(F)F)cc2[O-])o1 ZINC001253938854 806321472 /nfs/dbraw/zinc/32/14/72/806321472.db2.gz XXKABAZPZOLCAL-UHFFFAOYSA-N -1 1 272.226 3.414 20 0 CGADMM O=C(CCCc1ccccn1)Nc1cc([O-])c(F)cc1F ZINC001160917972 806321661 /nfs/dbraw/zinc/32/16/61/806321661.db2.gz WJYLOLQKPALOJT-UHFFFAOYSA-N -1 1 292.285 3.027 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2ccc([O-])cn2)CC12CCCCC2 ZINC001161237068 806359543 /nfs/dbraw/zinc/35/95/43/806359543.db2.gz DGWJGHBNGTZPHH-HNNXBMFYSA-N -1 1 288.391 3.218 20 0 CGADMM C[C@H](NC(=O)c1cccc([O-])c1F)[C@@H]1CCC[C@@H](C)C1 ZINC001161937414 806485786 /nfs/dbraw/zinc/48/57/86/806485786.db2.gz AHFATOPUQGWAIG-GRYCIOLGSA-N -1 1 279.355 3.476 20 0 CGADMM CCc1nnc(Cc2sc(-c3ccccc3)nc2[O-])o1 ZINC001255079249 806535795 /nfs/dbraw/zinc/53/57/95/806535795.db2.gz KYPKSJYBMOIGDI-UHFFFAOYSA-N -1 1 287.344 3.052 20 0 CGADMM [O-]c1c(-c2nnc(C3CCC3)o2)ccc2cccnc21 ZINC001255160636 806559801 /nfs/dbraw/zinc/55/98/01/806559801.db2.gz AKTILRSEPFVWCF-UHFFFAOYSA-N -1 1 267.288 3.258 20 0 CGADMM Cc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1F ZINC000143707041 799045553 /nfs/dbraw/zinc/04/55/53/799045553.db2.gz JEFKLRWGSIGIJH-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM COc1ccccc1[C@@H](C)NCc1cc(C(=O)[O-])oc1C ZINC000234885612 799143379 /nfs/dbraw/zinc/14/33/79/799143379.db2.gz NPAUCNDTMMRABI-SNVBAGLBSA-N -1 1 289.331 3.146 20 0 CGADMM Cc1n[n-]c(=NCc2ccc(C(C)C)cc2)n1C1CC1 ZINC000340711047 799286531 /nfs/dbraw/zinc/28/65/31/799286531.db2.gz PPBWYSLSTUIOFG-UHFFFAOYSA-N -1 1 270.380 3.079 20 0 CGADMM O=C([O-])[C@@H]1CCCN(Cc2ccsc2C(F)(F)F)C1 ZINC000704326617 799935902 /nfs/dbraw/zinc/93/59/02/799935902.db2.gz KXMMSAQATINIJC-SECBINFHSA-N -1 1 293.310 3.064 20 0 CGADMM O=C(Nc1ccsn1)c1ccc2ccccc2c1[O-] ZINC000705809738 799954394 /nfs/dbraw/zinc/95/43/94/799954394.db2.gz WQRLOALLCLPGPV-UHFFFAOYSA-N -1 1 270.313 3.254 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CC2(CSC2)C1 ZINC000718379958 800216311 /nfs/dbraw/zinc/21/63/11/800216311.db2.gz UDHXZXSRLWRCQP-UHFFFAOYSA-N -1 1 283.780 3.127 20 0 CGADMM [O-]c1cccc(CNCc2nc3c(s2)CCC3)c1Cl ZINC000719538971 800242281 /nfs/dbraw/zinc/24/22/81/800242281.db2.gz IJUQGOCWLYVAEU-UHFFFAOYSA-N -1 1 294.807 3.281 20 0 CGADMM Cc1csc(C(=O)[N-]c2nc(C3CC3)no2)c1Cl ZINC000792331703 800391649 /nfs/dbraw/zinc/39/16/49/800391649.db2.gz CAEQZPJFVFYPSE-UHFFFAOYSA-N -1 1 283.740 3.223 20 0 CGADMM CCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260204833 807696672 /nfs/dbraw/zinc/69/66/72/807696672.db2.gz MSCFSLYOAXQSDI-ZETCQYMHSA-N -1 1 297.754 3.085 20 0 CGADMM O=C(NCCCC(F)F)c1ccc2ccc(O)cc2c1[O-] ZINC001119639753 802688581 /nfs/dbraw/zinc/68/85/81/802688581.db2.gz IXJWOXNHHDIVEA-UHFFFAOYSA-N -1 1 295.285 3.026 20 0 CGADMM Cc1noc(-c2ccnc(-c3c([O-])cccc3Cl)c2)n1 ZINC001244035206 803153426 /nfs/dbraw/zinc/15/34/26/803153426.db2.gz BEDKTACYZQWGIG-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CN1CCOc2cc(-c3cc(F)c([O-])c(F)c3)ccc21 ZINC001244093155 803181710 /nfs/dbraw/zinc/18/17/10/803181710.db2.gz BYOWNZINTQKJDS-UHFFFAOYSA-N -1 1 277.270 3.166 20 0 CGADMM COC(=O)c1cc(C)cc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244096327 803184390 /nfs/dbraw/zinc/18/43/90/803184390.db2.gz HRCZUEKBUYPYQY-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM COC(=O)c1nc2ccc(-c3cnccc3C3CC3)cc2[n-]1 ZINC001244282113 803278215 /nfs/dbraw/zinc/27/82/15/803278215.db2.gz MNDJPJHRQAWZBB-UHFFFAOYSA-N -1 1 293.326 3.289 20 0 CGADMM COC(=O)c1nc2cc(-c3cnccc3C3CC3)ccc2[n-]1 ZINC001244282113 803278217 /nfs/dbraw/zinc/27/82/17/803278217.db2.gz MNDJPJHRQAWZBB-UHFFFAOYSA-N -1 1 293.326 3.289 20 0 CGADMM COc1ccc2nc(-c3cc(C)ccc3[O-])ncc2c1 ZINC001244402491 803350313 /nfs/dbraw/zinc/35/03/13/803350313.db2.gz JGDSRMKQVKLNAK-UHFFFAOYSA-N -1 1 266.300 3.319 20 0 CGADMM CCc1cncnc1-c1ccc(OC(F)(F)F)cc1[O-] ZINC001244464441 803380922 /nfs/dbraw/zinc/38/09/22/803380922.db2.gz LSJXIEAHKWIRQT-UHFFFAOYSA-N -1 1 284.237 3.310 20 0 CGADMM Cc1cc(-c2ccc(OC(F)(F)F)cc2[O-])ncn1 ZINC001244462990 803381854 /nfs/dbraw/zinc/38/18/54/803381854.db2.gz ANEFLDWVIDIWGU-UHFFFAOYSA-N -1 1 270.210 3.056 20 0 CGADMM CSc1cc(-c2c(Cl)ccc([O-])c2F)ncn1 ZINC001244538927 803426643 /nfs/dbraw/zinc/42/66/43/803426643.db2.gz QUYFZPALJRTZME-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM [O-]c1ccc(Cl)c(-c2nncc3ccoc32)c1F ZINC001244540187 803427789 /nfs/dbraw/zinc/42/77/89/803427789.db2.gz JNZSCSWZBZXPDX-UHFFFAOYSA-N -1 1 264.643 3.388 20 0 CGADMM COC(=O)c1cc(-c2c(Cl)ccc([O-])c2F)cnc1C ZINC001244543262 803430911 /nfs/dbraw/zinc/43/09/11/803430911.db2.gz QLKXMMSKHKWMCE-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM c1cc(-c2ccc(-c3nnn[n-]3)nc2)cc(C2CCC2)c1 ZINC001244979690 803602271 /nfs/dbraw/zinc/60/22/71/803602271.db2.gz IXWRZCSJOLCFAC-UHFFFAOYSA-N -1 1 277.331 3.196 20 0 CGADMM c1cc(-c2ccc(-c3nn[n-]n3)nc2)cc(C2CCC2)c1 ZINC001244979690 803602272 /nfs/dbraw/zinc/60/22/72/803602272.db2.gz IXWRZCSJOLCFAC-UHFFFAOYSA-N -1 1 277.331 3.196 20 0 CGADMM CSc1cc(-c2cc(Cl)ccc2[O-])ncn1 ZINC001245049529 803621955 /nfs/dbraw/zinc/62/19/55/803621955.db2.gz QHZNSKRCSPOGRE-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM C[C@H](Cc1ccccc1F)NC(=O)c1ccc(F)c([O-])c1 ZINC001136365626 803641566 /nfs/dbraw/zinc/64/15/66/803641566.db2.gz DLVRNGYPFXNAGM-SNVBAGLBSA-N -1 1 291.297 3.031 20 0 CGADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(F)cc1F ZINC001137207719 803696510 /nfs/dbraw/zinc/69/65/10/803696510.db2.gz VJBNBUIXQJESOV-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](C)c2cccs2)c1 ZINC001138317887 803893701 /nfs/dbraw/zinc/89/37/01/803893701.db2.gz NIXPFCJSAVTRIG-SNVBAGLBSA-N -1 1 289.356 3.066 20 0 CGADMM [O-]c1cc(F)c(-c2nccc3[nH]cnc32)cc1Cl ZINC001245668113 803895686 /nfs/dbraw/zinc/89/56/86/803895686.db2.gz NXTJCHDOZOQZMU-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc(N3CCCC3)nc2)c1Cl ZINC001245831944 803986460 /nfs/dbraw/zinc/98/64/60/803986460.db2.gz FTODRHZDRCDAMD-UHFFFAOYSA-N -1 1 293.729 3.242 20 0 CGADMM CCN(CC)c1ncc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245831338 803986952 /nfs/dbraw/zinc/98/69/52/803986952.db2.gz KEFZHQBTMOPWML-UHFFFAOYSA-N -1 1 295.745 3.488 20 0 CGADMM CC(=O)Nc1cc(-c2c(F)ccc([O-])c2Cl)ccn1 ZINC001245831171 803987270 /nfs/dbraw/zinc/98/72/70/803987270.db2.gz GBDSCSSCHRLXPI-UHFFFAOYSA-N -1 1 280.686 3.205 20 0 CGADMM Nc1cn2ccc(-c3c(F)ccc([O-])c3Cl)cc2n1 ZINC001245832964 803988658 /nfs/dbraw/zinc/98/86/58/803988658.db2.gz QNIRKAJCODFGAG-UHFFFAOYSA-N -1 1 277.686 3.082 20 0 CGADMM COc1ccc(-n2[n-]c(CC(C)C)cc2=O)cc1Cl ZINC001245933596 804062470 /nfs/dbraw/zinc/06/24/70/804062470.db2.gz WGKTXNBMFPVGKZ-UHFFFAOYSA-N -1 1 280.755 3.438 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1ccc(Cl)c(F)c1 ZINC001245953178 804087947 /nfs/dbraw/zinc/08/79/47/804087947.db2.gz LMHUZYPRYJAZFK-UHFFFAOYSA-N -1 1 266.703 3.323 20 0 CGADMM Cc1[nH]c(CN2CCC[C@H]3CCC[C@H]32)c(C)c1C(=O)[O-] ZINC001140497677 804448128 /nfs/dbraw/zinc/44/81/28/804448128.db2.gz QGIJQQSKQWVSBQ-TZMCWYRMSA-N -1 1 276.380 3.094 20 0 CGADMM O=C1CCN(Cc2ccc([O-])c(F)c2F)[C@H]2CCCC[C@H]12 ZINC001140890183 804542210 /nfs/dbraw/zinc/54/22/10/804542210.db2.gz YCKIGFJOYFDIRS-RYUDHWBXSA-N -1 1 295.329 3.004 20 0 CGADMM CCc1ccc(NC(=O)c2ccccc2[O-])cc1OC ZINC001140920973 804549092 /nfs/dbraw/zinc/54/90/92/804549092.db2.gz OIJQBBYHQDNIIZ-UHFFFAOYSA-N -1 1 271.316 3.216 20 0 CGADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1F ZINC001141540193 804650767 /nfs/dbraw/zinc/65/07/67/804650767.db2.gz FSBIAUBWJWFERT-PWSUYJOCSA-N -1 1 265.328 3.230 20 0 CGADMM CCCC[C@@H](C)N(C)C(=O)c1cccc([O-])c1F ZINC001141765882 804669110 /nfs/dbraw/zinc/66/91/10/804669110.db2.gz VFLREJRXVVBIFW-SNVBAGLBSA-N -1 1 253.317 3.182 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2cccc3occc32)no1 ZINC001212480678 815035399 /nfs/dbraw/zinc/03/53/99/815035399.db2.gz CIMXCHQXGABIGB-UHFFFAOYSA-N -1 1 279.255 3.250 20 0 CGADMM CC[C@H](NC(=O)c1c([O-])cccc1F)[C@H]1CC1(C)C ZINC001142506349 804727655 /nfs/dbraw/zinc/72/76/55/804727655.db2.gz PDGNAUANKAAQAE-KOLCDFICSA-N -1 1 265.328 3.086 20 0 CGADMM CCc1cc(NC(=O)c2cc3ccccc3cc2[O-])nn1C ZINC001142644156 804746412 /nfs/dbraw/zinc/74/64/12/804746412.db2.gz GXXXJQZNPNRJEQ-UHFFFAOYSA-N -1 1 295.342 3.094 20 0 CGADMM [O-]c1cc(F)c(CN2Cc3ccc(F)cc3C2)cc1F ZINC001144657915 805024351 /nfs/dbraw/zinc/02/43/51/805024351.db2.gz MYNJSWDTWLUKHQ-UHFFFAOYSA-N -1 1 279.261 3.325 20 0 CGADMM [O-]c1cc(F)c(CN2CCOC3(CCCCC3)C2)cc1F ZINC001144659993 805026912 /nfs/dbraw/zinc/02/69/12/805026912.db2.gz SZOJYEBYIFJMGP-UHFFFAOYSA-N -1 1 297.345 3.206 20 0 CGADMM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc([O-])cc1F ZINC001145023033 805060839 /nfs/dbraw/zinc/06/08/39/805060839.db2.gz FSCDJAHMKPFCEC-GOEBONIOSA-N -1 1 285.318 3.126 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)C(C1CCC1)C1CCC1 ZINC001146550876 805074337 /nfs/dbraw/zinc/07/43/37/805074337.db2.gz LYEDIZRPASTGRD-UHFFFAOYSA-N -1 1 277.339 3.452 20 0 CGADMM CC(C)(NC(=O)c1ccc([O-])cn1)c1cccc(Cl)c1 ZINC001147578650 805139257 /nfs/dbraw/zinc/13/92/57/805139257.db2.gz NZGNYHXKFGMWOO-UHFFFAOYSA-N -1 1 290.750 3.106 20 0 CGADMM Cc1nonc1[N-]c1cccc(Br)c1F ZINC001249686489 805210614 /nfs/dbraw/zinc/21/06/14/805210614.db2.gz RTJLFOMSWOUNDV-UHFFFAOYSA-N -1 1 272.077 3.023 20 0 CGADMM CC(=O)Nc1ccc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001249748090 805233889 /nfs/dbraw/zinc/23/38/89/805233889.db2.gz DDDWHXMOGBUXCJ-UHFFFAOYSA-N -1 1 295.701 3.282 20 0 CGADMM O=C([O-])c1c(F)ccc(CN2CCC3(CCC3)CC2)c1F ZINC001249764855 805238063 /nfs/dbraw/zinc/23/80/63/805238063.db2.gz ZUIVAYJFIOKTOR-UHFFFAOYSA-N -1 1 295.329 3.429 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(F)c(C(=O)[O-])c2F)[C@H](C)C1 ZINC001249774121 805240071 /nfs/dbraw/zinc/24/00/71/805240071.db2.gz SSKRRLCAGNCVDA-NXEZZACHSA-N -1 1 283.318 3.283 20 0 CGADMM C[C@@H]1C[C@@H](C)CCN1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249774126 805241593 /nfs/dbraw/zinc/24/15/93/805241593.db2.gz SSKRRLCAGNCVDA-VHSXEESVSA-N -1 1 283.318 3.283 20 0 CGADMM O=C(N[C@H]1C=CCCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001150007406 805250165 /nfs/dbraw/zinc/25/01/65/805250165.db2.gz NXWUYMQSLZJRLR-LBPRGKRZSA-N -1 1 283.327 3.090 20 0 CGADMM COc1ccccc1C([O-])=Cc1cc(SC)cnc1F ZINC001249891946 805283863 /nfs/dbraw/zinc/28/38/63/805283863.db2.gz IEOMDBFOEVRMGP-UHFFFAOYSA-N -1 1 291.347 3.377 20 0 CGADMM COc1ccc(C(=O)Cc2ccc(Cl)c([O-])c2)cc1 ZINC001249903966 805293844 /nfs/dbraw/zinc/29/38/44/805293844.db2.gz LQQMXDMZMUYRFO-UHFFFAOYSA-N -1 1 276.719 3.480 20 0 CGADMM Cc1c(F)ccc(N)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001151582405 805298715 /nfs/dbraw/zinc/29/87/15/805298715.db2.gz IDSYYBDPRWEPMK-UHFFFAOYSA-N -1 1 294.713 3.328 20 0 CGADMM COc1cccc(O)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249965068 805332092 /nfs/dbraw/zinc/33/20/92/805332092.db2.gz SXMGWHGVQVPQAV-UHFFFAOYSA-N -1 1 285.221 3.267 20 0 CGADMM Cc1cc2ncc(Nc3cc(Cl)c([O-])cc3F)cn2n1 ZINC001250020150 805371930 /nfs/dbraw/zinc/37/19/30/805371930.db2.gz MQDVLFWYFQPBLC-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM CCn1cc(Nc2cc(Cl)c([O-])cc2F)cn1 ZINC001250020833 805372500 /nfs/dbraw/zinc/37/25/00/805372500.db2.gz STVVGJNCGCLTJO-UHFFFAOYSA-N -1 1 255.680 3.145 20 0 CGADMM O=C(NCc1cccc(F)n1)c1c([O-])ccc2ccccc21 ZINC001153504342 805400716 /nfs/dbraw/zinc/40/07/16/805400716.db2.gz LCHUYPQDTQFLRR-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=S(=O)(CCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001250124587 805429258 /nfs/dbraw/zinc/42/92/58/805429258.db2.gz MGQIWHKGGUEDNI-UHFFFAOYSA-N -1 1 296.775 3.062 20 0 CGADMM Cc1ccnnc1Nc1c(F)ccc([O-])c1Cl ZINC001250229096 805505347 /nfs/dbraw/zinc/50/53/47/805505347.db2.gz ADFYRPXNBMALMB-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM COC(=O)c1cccnc1Nc1c(F)ccc([O-])c1Cl ZINC001250228131 805505381 /nfs/dbraw/zinc/50/53/81/805505381.db2.gz MPXTVIYZNOYTLD-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM Cc1ccc(N)c2nn(-c3c(F)ccc([O-])c3Cl)cc21 ZINC001250233839 805508027 /nfs/dbraw/zinc/50/80/27/805508027.db2.gz FIZPPAIZKFLQLY-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM [O-]c1c(F)cc(Nc2c(F)ccc(CO)c2F)cc1F ZINC001250256281 805526106 /nfs/dbraw/zinc/52/61/06/805526106.db2.gz AFJQXLZBCYTNTL-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM CCC[C@@H](C)CC[C@H](C)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001257472148 807173731 /nfs/dbraw/zinc/17/37/31/807173731.db2.gz QZKRQUFFUCKQRO-ZJUUUORDSA-N -1 1 277.372 3.075 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2cccc(Cl)c2F)no1 ZINC001212721171 815113751 /nfs/dbraw/zinc/11/37/51/815113751.db2.gz BMEPMXXXSUVBPI-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM FC(F)(F)[C@H]([N-]c1nncc2ccoc21)c1ccccn1 ZINC001168479331 807432441 /nfs/dbraw/zinc/43/24/41/807432441.db2.gz GOFHSSSDCCIVLX-LLVKDONJSA-N -1 1 294.236 3.333 20 0 CGADMM CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001259461774 807678382 /nfs/dbraw/zinc/67/83/82/807678382.db2.gz AKBGIFLUJITDAC-SECBINFHSA-N -1 1 293.791 3.336 20 0 CGADMM Cc1csc([N-]S(=O)(=O)CCc2cccc(F)c2)c1 ZINC001259767091 807684390 /nfs/dbraw/zinc/68/43/90/807684390.db2.gz BLHZGTBVAOYPGA-UHFFFAOYSA-N -1 1 299.392 3.180 20 0 CGADMM Cc1ccc2cccc([N-]S(=O)(=O)C3CCCC3)c2n1 ZINC001259800939 807685526 /nfs/dbraw/zinc/68/55/26/807685526.db2.gz QBAUSFSCRMVGGE-UHFFFAOYSA-N -1 1 290.388 3.228 20 0 CGADMM CCOc1ncc([N-]c2noc(C(C)(C)C)n2)cc1F ZINC001212828461 815148509 /nfs/dbraw/zinc/14/85/09/815148509.db2.gz YHSPXAWLPYFSAE-UHFFFAOYSA-N -1 1 280.303 3.044 20 0 CGADMM CC(C)(C(=O)Nc1cccc(F)c1[O-])c1ccccc1 ZINC001171632959 808109517 /nfs/dbraw/zinc/10/95/17/808109517.db2.gz YVXWNTDXAPZIKA-UHFFFAOYSA-N -1 1 273.307 3.448 20 0 CGADMM CC(C)(C)c1nnc([N-]c2ccnc(OCC3CC3)c2)o1 ZINC001213014460 815199972 /nfs/dbraw/zinc/19/99/72/815199972.db2.gz VBVYEIYKJKXMCU-UHFFFAOYSA-N -1 1 288.351 3.295 20 0 CGADMM CSc1nc(Nc2ccc3nc(C)oc3c2)cc(=O)[n-]1 ZINC001213063964 815216139 /nfs/dbraw/zinc/21/61/39/815216139.db2.gz NTUVMBOQVNDFOV-UHFFFAOYSA-N -1 1 288.332 3.097 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cc(F)nc(F)c1 ZINC001213083787 815228025 /nfs/dbraw/zinc/22/80/25/815228025.db2.gz SLCOFSVDLZOHOY-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM CC(C)c1nnc([N-]c2ccc3c(c2)CCCC3=O)o1 ZINC001213101060 815234823 /nfs/dbraw/zinc/23/48/23/815234823.db2.gz FEHGVYKGFMGFIT-UHFFFAOYSA-N -1 1 271.320 3.456 20 0 CGADMM COCc1ccccc1Nc1ccnc(Cl)c1[O-] ZINC001174104201 808867876 /nfs/dbraw/zinc/86/78/76/808867876.db2.gz HGXQWLZHIZDVIC-UHFFFAOYSA-N -1 1 264.712 3.331 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cnn(CC2CC2)c1 ZINC001174470449 809027784 /nfs/dbraw/zinc/02/77/84/809027784.db2.gz VLMADPWYZRSESN-UHFFFAOYSA-N -1 1 265.263 3.021 20 0 CGADMM CSc1nc(Nc2cccc(-c3cc[nH]n3)c2)cc(=O)[n-]1 ZINC001174507195 809053778 /nfs/dbraw/zinc/05/37/78/809053778.db2.gz BPJDDWVXMKURDU-UHFFFAOYSA-N -1 1 299.359 3.038 20 0 CGADMM COc1cc(Nc2cc([O-])c(Cl)cc2F)cnc1OC ZINC001174545616 809077012 /nfs/dbraw/zinc/07/70/12/809077012.db2.gz BAZUGXRWSDNYIK-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cccc2cccnc21 ZINC001174857031 809178740 /nfs/dbraw/zinc/17/87/40/809178740.db2.gz HYNJDLBZDNEPHF-UHFFFAOYSA-N -1 1 299.315 3.161 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cc(F)c(O)c(F)c1 ZINC001213377707 815272983 /nfs/dbraw/zinc/27/29/83/815272983.db2.gz YBCAMYQLLXCJIY-UHFFFAOYSA-N -1 1 272.638 3.168 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cc(CO)ccc1F ZINC001175130189 809282808 /nfs/dbraw/zinc/28/28/08/809282808.db2.gz ABFVSTJWMRTZMZ-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM CCOc1cc(C)c(-n2[n-]c(=O)c3cc(N)ccc32)c(C)c1 ZINC001175174093 809298732 /nfs/dbraw/zinc/29/87/32/809298732.db2.gz UQKFGFKTDRPUEI-UHFFFAOYSA-N -1 1 297.358 3.329 20 0 CGADMM COc1cc(Nc2ccnc(Cl)c2[O-])ccc1F ZINC001175396021 809391074 /nfs/dbraw/zinc/39/10/74/809391074.db2.gz FHFLTDQEWVNKCG-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM O=C(NC[C@@H]1CCCc2ccccc21)c1ccc(F)c([O-])c1 ZINC001290694939 809413141 /nfs/dbraw/zinc/41/31/41/809413141.db2.gz IRDZXPKBHXCANX-AWEZNQCLSA-N -1 1 299.345 3.381 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3nccnc3c2)cc1F ZINC001175494566 809429133 /nfs/dbraw/zinc/42/91/33/809429133.db2.gz OCZKZFVSFMQVIR-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc([O-])c1F ZINC001293874004 809456459 /nfs/dbraw/zinc/45/64/59/809456459.db2.gz JSHSWHMMGKWSRP-NQBHXWOUSA-N -1 1 277.339 3.325 20 0 CGADMM CCOc1ccccc1N(C)C(=O)c1ccc([O-])cc1F ZINC001295117433 809481995 /nfs/dbraw/zinc/48/19/95/809481995.db2.gz KXULBOKWMMYWBY-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2c[nH]ccc-2n1 ZINC001295295335 809485076 /nfs/dbraw/zinc/48/50/76/809485076.db2.gz LIZWVSHXJAPTRO-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nccc2cccnc21 ZINC001295295328 809485094 /nfs/dbraw/zinc/48/50/94/809485094.db2.gz LFYLQIXAQBDVDV-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM COc1cc([N-]c2nc3ccc(F)cc3o2)c(F)cn1 ZINC001175686724 809504704 /nfs/dbraw/zinc/50/47/04/809504704.db2.gz FCSDVKRXVQDRBH-UHFFFAOYSA-N -1 1 277.230 3.253 20 0 CGADMM Cc1cnc(C(=O)NCC[C@H](C)c2ccccc2)c([O-])c1 ZINC001297070312 809512018 /nfs/dbraw/zinc/51/20/18/809512018.db2.gz BRAWFIODDUPKGV-ZDUSSCGKSA-N -1 1 284.359 3.019 20 0 CGADMM Cc1cc(C)c(Nc2cc3ccc([O-])cc3oc2=O)cn1 ZINC001213511059 815295054 /nfs/dbraw/zinc/29/50/54/815295054.db2.gz ULWOMJQRXUCZJN-UHFFFAOYSA-N -1 1 282.299 3.254 20 0 CGADMM CC[C@@H](NC(=O)c1cccc([O-])c1F)[C@H]1CC1(C)C ZINC001299550189 809552207 /nfs/dbraw/zinc/55/22/07/809552207.db2.gz IBLLFQHHUPRSSJ-GHMZBOCLSA-N -1 1 265.328 3.086 20 0 CGADMM COc1cc(C(=O)Nc2cc(F)cc(F)c2[O-])ccc1F ZINC001299580365 809552443 /nfs/dbraw/zinc/55/24/43/809552443.db2.gz FLRDKLLTYHIDJD-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM CC1(C)CN(C(=O)c2ccc(F)c([O-])c2)[C@@H]1c1ccco1 ZINC001302247026 809591359 /nfs/dbraw/zinc/59/13/59/809591359.db2.gz KKXKZLKPFJKAQP-CQSZACIVSA-N -1 1 289.306 3.348 20 0 CGADMM Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001302481732 809595435 /nfs/dbraw/zinc/59/54/35/809595435.db2.gz FDWATOLPSHAZOR-NSHDSACASA-N -1 1 289.306 3.246 20 0 CGADMM Fc1ccccc1-c1noc(-c2cnc(C(F)(F)F)[n-]2)n1 ZINC001213589752 815307123 /nfs/dbraw/zinc/30/71/23/815307123.db2.gz MKXXPYMHOBCWLT-UHFFFAOYSA-N -1 1 298.199 3.285 20 0 CGADMM Fc1ccccc1-c1noc(-c2c[n-]c(C(F)(F)F)n2)n1 ZINC001213589752 815307129 /nfs/dbraw/zinc/30/71/29/815307129.db2.gz MKXXPYMHOBCWLT-UHFFFAOYSA-N -1 1 298.199 3.285 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(O)cc2F)cc1F ZINC001176412804 809689336 /nfs/dbraw/zinc/68/93/36/809689336.db2.gz TUHIXFNFACIWJD-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM CC(C)n1cc(Nc2c(F)cc(F)c([O-])c2F)cn1 ZINC001176663074 809736933 /nfs/dbraw/zinc/73/69/33/809736933.db2.gz ANJGQPBXKQISEO-UHFFFAOYSA-N -1 1 271.242 3.331 20 0 CGADMM Cn1cnc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc21 ZINC001176671684 809739880 /nfs/dbraw/zinc/73/98/80/809739880.db2.gz LCYVYSKRMRSTLB-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc(CO)cc2F)c1F ZINC001176671411 809739978 /nfs/dbraw/zinc/73/99/78/809739978.db2.gz CIDPAZQNMCVKMR-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM Cc1cc(C(=O)NCc2ccc([O-])c(Cl)c2)c(C)o1 ZINC001176988563 809773547 /nfs/dbraw/zinc/77/35/47/809773547.db2.gz OIPCCYSZDMOGCJ-UHFFFAOYSA-N -1 1 279.723 3.185 20 0 CGADMM Cc1cc2cc(-n3[n-]c(=O)c4cc(N)ccc43)ccc2[nH]1 ZINC001213794054 815332441 /nfs/dbraw/zinc/33/24/41/815332441.db2.gz DBCYNYSGHSZFLD-UHFFFAOYSA-N -1 1 278.315 3.103 20 0 CGADMM Cc1ncc(C(F)(F)F)cc1[N-]c1nonc1C1CC1 ZINC001213828428 815338337 /nfs/dbraw/zinc/33/83/37/815338337.db2.gz JFEJGFBVQOOMCE-UHFFFAOYSA-N -1 1 284.241 3.413 20 0 CGADMM Cc1sccc1C(=O)Nc1ccc(F)cc1[O-] ZINC001183054215 810135163 /nfs/dbraw/zinc/13/51/63/810135163.db2.gz GNNSBJHPYPVTOC-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM Cc1ccc(-c2ccc([N-]c3nonc3N)cc2)cc1 ZINC001213924858 815346308 /nfs/dbraw/zinc/34/63/08/815346308.db2.gz UQLXCUNEMAMLCC-UHFFFAOYSA-N -1 1 266.304 3.371 20 0 CGADMM CN(Cc1ccc(F)cc1F)C(=O)c1ccc([O-])cc1F ZINC001186326809 810328943 /nfs/dbraw/zinc/32/89/43/810328943.db2.gz IMGSSEPBOYQKME-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM Cc1cc(O)cc(C)c1NC(=O)c1ccc([O-])cc1F ZINC001186328786 810329525 /nfs/dbraw/zinc/32/95/25/810329525.db2.gz JEPNJNRZVOBYMY-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM Cc1ccc(F)cc1NC(=O)c1ncc(C(F)(F)F)[n-]1 ZINC001188277624 810473159 /nfs/dbraw/zinc/47/31/59/810473159.db2.gz IQZPXQZLXDKTNU-UHFFFAOYSA-N -1 1 287.216 3.128 20 0 CGADMM O=S(=O)(Nc1cc(Cl)ccc1[S-])c1ccoc1 ZINC001188606584 810492844 /nfs/dbraw/zinc/49/28/44/810492844.db2.gz GWSMZSSOBKWOHU-UHFFFAOYSA-N -1 1 289.765 3.023 20 0 CGADMM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)CC1CC1 ZINC001188926214 810523960 /nfs/dbraw/zinc/52/39/60/810523960.db2.gz IQKAAGBPEHALJQ-UHFFFAOYSA-N -1 1 297.420 3.144 20 0 CGADMM O=c1cc(-c2ccccc2)nc(SCc2ccno2)[n-]1 ZINC001190201217 810612641 /nfs/dbraw/zinc/61/26/41/810612641.db2.gz MTZOFVZJDYHQND-UHFFFAOYSA-N -1 1 285.328 3.130 20 0 CGADMM Cc1ccc(O)c(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001214223808 815387079 /nfs/dbraw/zinc/38/70/79/815387079.db2.gz XAVPIMYIOFUNLB-UHFFFAOYSA-N -1 1 283.283 3.256 20 0 CGADMM Cc1ccc(O)c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001214233904 815388799 /nfs/dbraw/zinc/38/87/99/815388799.db2.gz NTNHZSUDSDFVOP-UHFFFAOYSA-N -1 1 281.315 3.336 20 0 CGADMM O=C(Nc1cc(Cl)ncc1[O-])NC1CCCCCC1 ZINC001191243580 810693148 /nfs/dbraw/zinc/69/31/48/810693148.db2.gz MPCGTPMKRWHUMQ-UHFFFAOYSA-N -1 1 283.759 3.285 20 0 CGADMM CC[C@@H](C)NC(=O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191511184 810721456 /nfs/dbraw/zinc/72/14/56/810721456.db2.gz YPJASGHCYDZTNC-GFCCVEGCSA-N -1 1 297.354 3.152 20 0 CGADMM Cc1ncc(NC(=O)c2ccc(C(C)(C)C)cc2[O-])cn1 ZINC001192314433 810786029 /nfs/dbraw/zinc/78/60/29/810786029.db2.gz PLZYJXJVMWZJOD-UHFFFAOYSA-N -1 1 285.347 3.040 20 0 CGADMM CC[C@H](C)C[C@@H](C)NC(=O)c1cc([O-])cc(F)c1F ZINC001192679575 810814325 /nfs/dbraw/zinc/81/43/25/810814325.db2.gz XDHDVKAHYFOXMA-DTWKUNHWSA-N -1 1 271.307 3.225 20 0 CGADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1cc([O-])cc(F)c1F ZINC001192670769 810814818 /nfs/dbraw/zinc/81/48/18/810814818.db2.gz NNZFHMYSAXGGSE-ZJUUUORDSA-N -1 1 283.318 3.227 20 0 CGADMM Cc1sccc1C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001193368090 810879086 /nfs/dbraw/zinc/87/90/86/810879086.db2.gz DHGYLOZWFBOSLY-UHFFFAOYSA-N -1 1 299.355 3.200 20 0 CGADMM O=S(=O)(CC1CCC1)[N-]c1cc2ccccc2cc1O ZINC001193513492 810900987 /nfs/dbraw/zinc/90/09/87/810900987.db2.gz BFDAJAJWXOZKBE-UHFFFAOYSA-N -1 1 291.372 3.087 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2cccc3cccc(N)c32)n1 ZINC001195327276 811242100 /nfs/dbraw/zinc/24/21/00/811242100.db2.gz ZDTOJLJAXWBOHV-UHFFFAOYSA-N -1 1 293.326 3.083 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc2c(c1)CCCC2 ZINC001195490856 811261452 /nfs/dbraw/zinc/26/14/52/811261452.db2.gz OROUDZXNIIYGHP-UHFFFAOYSA-N -1 1 278.377 3.008 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cccc(Cl)c1CO ZINC001214645989 815437015 /nfs/dbraw/zinc/43/70/15/815437015.db2.gz SAUMRSXDQOIOSW-UHFFFAOYSA-N -1 1 285.130 3.330 20 0 CGADMM [O-]c1c(F)cccc1NC(=S)Nc1ccccc1F ZINC001195776304 811291431 /nfs/dbraw/zinc/29/14/31/811291431.db2.gz PECHTMPCSUZTTM-UHFFFAOYSA-N -1 1 280.299 3.479 20 0 CGADMM CCOc1ccc(-c2nc(-c3cccc(C)n3)no2)c([O-])c1 ZINC001215241397 815498100 /nfs/dbraw/zinc/49/81/00/815498100.db2.gz VGOJCIZGTWZKCD-UHFFFAOYSA-N -1 1 297.314 3.211 20 0 CGADMM COc1cccc(NC(=O)Nc2ccc(F)cc2[O-])c1 ZINC001202276042 812055609 /nfs/dbraw/zinc/05/56/09/812055609.db2.gz GQDCFYVUZUFHPM-UHFFFAOYSA-N -1 1 276.267 3.184 20 0 CGADMM Cc1cccnc1-c1noc(-c2ccc([O-])cc2Cl)n1 ZINC001215345750 815508173 /nfs/dbraw/zinc/50/81/73/815508173.db2.gz IGMKSRJCOHRITB-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CC(=O)c1cc(-c2noc(-c3ccc(C)cc3[O-])n2)ccn1 ZINC001215297190 815504418 /nfs/dbraw/zinc/50/44/18/815504418.db2.gz PHNAZSDVWSPABQ-UHFFFAOYSA-N -1 1 295.298 3.015 20 0 CGADMM CC(=O)c1ccc(-c2noc(-c3ccc(O)cc3[O-])n2)cc1 ZINC001215300329 815505651 /nfs/dbraw/zinc/50/56/51/815505651.db2.gz URONAVQYBMTORC-UHFFFAOYSA-N -1 1 296.282 3.017 20 0 CGADMM c1oc2ccccc2c1[N-]c1noc2nccnc12 ZINC001203146925 812254093 /nfs/dbraw/zinc/25/40/93/812254093.db2.gz RBGVPOVGXWJGJG-UHFFFAOYSA-N -1 1 252.233 3.108 20 0 CGADMM COc1ccc(-c2cc([N-]c3cnoc3)on2)cc1 ZINC001203232404 812274774 /nfs/dbraw/zinc/27/47/74/812274774.db2.gz UWMFCCUPBXOVRG-UHFFFAOYSA-N -1 1 257.249 3.082 20 0 CGADMM Cc1nonc1[N-]c1cncc(Oc2ccccc2)c1 ZINC001203556797 812390797 /nfs/dbraw/zinc/39/07/97/812390797.db2.gz QLABPKCLNQWMNI-UHFFFAOYSA-N -1 1 268.276 3.309 20 0 CGADMM CC(C)(C)c1nc([N-]c2cc3n[nH]cc3c(F)c2)no1 ZINC001215553067 815531839 /nfs/dbraw/zinc/53/18/39/815531839.db2.gz NGYQNUFDYZNBOD-UHFFFAOYSA-N -1 1 275.287 3.126 20 0 CGADMM [O-]c1cc(F)c(Nc2c(O)cccc2F)cc1F ZINC001215571794 815537098 /nfs/dbraw/zinc/53/70/98/815537098.db2.gz MLSBWUOEVXBNJR-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM Cc1cc2nc[nH]c2cc1-c1csc(C(=O)[O-])c1 ZINC001206273127 813267551 /nfs/dbraw/zinc/26/75/51/813267551.db2.gz YARZSXAYFMMUAL-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM Cc1nsc([N-]c2cccnc2OC(C)(C)C)n1 ZINC001206480889 813332465 /nfs/dbraw/zinc/33/24/65/813332465.db2.gz JMTXTSXKPSZISW-UHFFFAOYSA-N -1 1 264.354 3.162 20 0 CGADMM [O-]c1cc(F)c(-c2nc[nH]c3nc(=S)sc2-3)cc1F ZINC001206767759 813430915 /nfs/dbraw/zinc/43/09/15/813430915.db2.gz JKVUBWWXQQGMOK-UHFFFAOYSA-N -1 1 297.311 3.026 20 0 CGADMM CCc1cncc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001209181505 813958193 /nfs/dbraw/zinc/95/81/93/813958193.db2.gz RMMIKWRGOUHSLJ-UHFFFAOYSA-N -1 1 282.299 3.200 20 0 CGADMM CCc1cncc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001209209203 813970183 /nfs/dbraw/zinc/97/01/83/813970183.db2.gz JGOSXILZHHVULP-UHFFFAOYSA-N -1 1 250.248 3.371 20 0 CGADMM CCCOc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001209866050 814176914 /nfs/dbraw/zinc/17/69/14/814176914.db2.gz CJGNIZXGZQCHIX-UHFFFAOYSA-N -1 1 283.331 3.102 20 0 CGADMM Cc1cc2n[nH]cc2cc1[N-]c1nnc(C(C)C)o1 ZINC001210100211 814286578 /nfs/dbraw/zinc/28/65/78/814286578.db2.gz JBQFJPRUIYFFBU-UHFFFAOYSA-N -1 1 257.297 3.121 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cc(F)ccc1CO ZINC001210188204 814328128 /nfs/dbraw/zinc/32/81/28/814328128.db2.gz FPRASBZZLDXNSV-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM Cc1cccc(Nc2cc([O-])c(F)c(F)c2)c1O ZINC001210190896 814329249 /nfs/dbraw/zinc/32/92/49/814329249.db2.gz FZKBVNLIAQOKAN-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cccc(F)c1O ZINC001210195296 814331651 /nfs/dbraw/zinc/33/16/51/814331651.db2.gz KJTCYLKUHZBKBN-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM [O-]c1cccc(-c2ccc3nccnc3n2)c1Cl ZINC001242796851 823135300 /nfs/dbraw/zinc/13/53/00/823135300.db2.gz BLTXNYLIKWAYHE-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM COC(=O)c1cc(F)c(C)nc1-c1cccc([O-])c1Cl ZINC001242797030 823135362 /nfs/dbraw/zinc/13/53/62/823135362.db2.gz FPLQJIRPOTWAFB-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CSc1nc(Nc2ccc3ccccc3n2)cc(=O)[n-]1 ZINC001210813199 814639977 /nfs/dbraw/zinc/63/99/77/814639977.db2.gz FWGDJZIOOKEYPW-UHFFFAOYSA-N -1 1 284.344 3.196 20 0 CGADMM Nc1c(F)cc(Nc2cc(F)c([O-])cc2F)cc1F ZINC001210910813 814670516 /nfs/dbraw/zinc/67/05/16/814670516.db2.gz IFJOXYPMSNYMHQ-UHFFFAOYSA-N -1 1 272.201 3.274 20 0 CGADMM COc1ccc(Nc2ccc(F)c(F)c2[O-])c(C)n1 ZINC001211045272 814719693 /nfs/dbraw/zinc/71/96/93/814719693.db2.gz QTTPYZRIUSLHCN-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM COCc1cncc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001211078986 814735425 /nfs/dbraw/zinc/73/54/25/814735425.db2.gz YCFSWXKVNYFUSA-UHFFFAOYSA-N -1 1 282.702 3.470 20 0 CGADMM COC(=O)c1cc(-c2cccc([O-])c2Cl)cnc1F ZINC001242800966 823137288 /nfs/dbraw/zinc/13/72/88/823137288.db2.gz VKTSDTRHHNFRTH-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM COc1cc(-c2cccc([O-])c2Cl)c(F)cn1 ZINC001242802405 823137631 /nfs/dbraw/zinc/13/76/31/823137631.db2.gz FTDHSFJETHPTPU-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM CON(C)C(=O)c1ccccc1-c1cccc([O-])c1Cl ZINC001242802648 823137914 /nfs/dbraw/zinc/13/79/14/823137914.db2.gz NIVLGMLYZKKLRR-UHFFFAOYSA-N -1 1 291.734 3.346 20 0 CGADMM CCOC(=O)Cc1cc(-c2cccc([O-])c2Cl)ccn1 ZINC001242802103 823138018 /nfs/dbraw/zinc/13/80/18/823138018.db2.gz QURQHXNRRXYSNF-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM CS(=O)(=O)Oc1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242802176 823138082 /nfs/dbraw/zinc/13/80/82/823138082.db2.gz UXAGPRUNQLZYGY-UHFFFAOYSA-N -1 1 298.747 3.051 20 0 CGADMM CC(=O)Nc1cccnc1-c1cccc([O-])c1Cl ZINC001242803245 823138569 /nfs/dbraw/zinc/13/85/69/823138569.db2.gz WYHPOHBWFULGRJ-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM [O-]c1cc(F)c(-c2cccc(-c3nc[nH]n3)c2)cc1F ZINC001211352068 814884921 /nfs/dbraw/zinc/88/49/21/814884921.db2.gz HODJLXFEWARTSA-UHFFFAOYSA-N -1 1 273.242 3.123 20 0 CGADMM O=c1ccc2ccc(-c3cc(F)c([O-])cc3F)cc2o1 ZINC001211360167 814886494 /nfs/dbraw/zinc/88/64/94/814886494.db2.gz PGQLAVUWWKTLOG-UHFFFAOYSA-N -1 1 274.222 3.444 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1Nc1cnc2cccc(C)n12 ZINC001211621040 814919770 /nfs/dbraw/zinc/91/97/70/814919770.db2.gz SQWKODBZJXZZCN-UHFFFAOYSA-N -1 1 281.315 3.393 20 0 CGADMM CCOCc1cncc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001215791133 815593303 /nfs/dbraw/zinc/59/33/03/815593303.db2.gz JAADTUIAJQLXMK-UHFFFAOYSA-N -1 1 280.274 3.346 20 0 CGADMM CCOc1cc(C)ccc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001215877544 815621989 /nfs/dbraw/zinc/62/19/89/815621989.db2.gz VOZZPTXNYXVZMW-UHFFFAOYSA-N -1 1 283.331 3.020 20 0 CGADMM Cc1c(F)cncc1Nc1cc([O-])c(F)c(F)c1 ZINC001216195419 815732731 /nfs/dbraw/zinc/73/27/31/815732731.db2.gz SZAIBSVBWQEKJT-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM COc1cc(Oc2ccccc2)ccc1[N-]c1nonc1N ZINC001216241110 815752059 /nfs/dbraw/zinc/75/20/59/815752059.db2.gz SFCWLHCWDKUFIC-UHFFFAOYSA-N -1 1 298.302 3.196 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cc(Cl)cc(CO)c1 ZINC001216434782 815828798 /nfs/dbraw/zinc/82/87/98/815828798.db2.gz DUAZAYLGRLUEPC-UHFFFAOYSA-N -1 1 285.130 3.330 20 0 CGADMM O=C([O-])c1cc(F)c(-c2ccc3[nH]cnc3c2)c(F)c1 ZINC001222398612 816432125 /nfs/dbraw/zinc/43/21/25/816432125.db2.gz OTRASRZAPKCMQS-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM O=[P@]([O-])(O)CCOC1CCC(C2CCCCC2)CC1 ZINC001224601702 816832016 /nfs/dbraw/zinc/83/20/16/816832016.db2.gz JUIJPSOAXCEULR-UHFFFAOYSA-N -1 1 290.340 3.320 20 0 CGADMM CCC[C@@H](OCCCC[P@](=O)([O-])O)C(C)(C)C ZINC001225019096 816934977 /nfs/dbraw/zinc/93/49/77/816934977.db2.gz RBEXMMPISZXXAS-LLVKDONJSA-N -1 1 266.318 3.176 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H]1COCc2ccccc21 ZINC001225616555 817113809 /nfs/dbraw/zinc/11/38/09/817113809.db2.gz LREHQWREEIDYHY-QGZVFWFLSA-N -1 1 284.311 3.245 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CCC[C@H](C)C1 ZINC001225679961 817139847 /nfs/dbraw/zinc/13/98/47/817139847.db2.gz SUGMURUVWVUGHD-CABZTGNLSA-N -1 1 264.321 3.258 20 0 CGADMM C[C@H](Oc1[n-]c(=S)ncc1F)c1ccc(F)c(F)c1 ZINC001227383265 817637196 /nfs/dbraw/zinc/63/71/96/817637196.db2.gz LVBARHPQVOFENC-LURJTMIESA-N -1 1 286.278 3.323 20 0 CGADMM C[C@H](Oc1[n-]c(=S)ncc1F)c1cccc(F)c1 ZINC001227383217 817637224 /nfs/dbraw/zinc/63/72/24/817637224.db2.gz KLTSMZULVXIDTE-ZETCQYMHSA-N -1 1 268.288 3.184 20 0 CGADMM Cc1ccccc1[C@H](C)Oc1[n-]c(=O)nc2c1CO[C@H]2C ZINC001227709644 817699278 /nfs/dbraw/zinc/69/92/78/817699278.db2.gz FAOUOWJZLZSYME-QWRGUYRKSA-N -1 1 286.331 3.222 20 0 CGADMM Cc1ccc([C@H](C)Oc2[n-]c(=O)nc3c2CO[C@H]3C)cc1 ZINC001227717088 817701997 /nfs/dbraw/zinc/70/19/97/817701997.db2.gz XCUQWAJTXDKLPQ-QWRGUYRKSA-N -1 1 286.331 3.222 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1-c1cc2nc[nH]c2cc1F ZINC001243206096 823290463 /nfs/dbraw/zinc/29/04/63/823290463.db2.gz YOGFDFYLSDBPIW-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM Cc1cc(-c2ccc3cncn3c2)ccc1C(=O)[O-] ZINC001243215360 823296218 /nfs/dbraw/zinc/29/62/18/823296218.db2.gz WJSYHVIOHUQLJP-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM O=C([O-])c1ccc(F)c(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001231457475 818103228 /nfs/dbraw/zinc/10/32/28/818103228.db2.gz UBPNCDNNAGJTOG-TXEJJXNPSA-N -1 1 299.292 3.001 20 0 CGADMM [O-]c1cc(CN2CCC(F)(F)[C@H](F)C2)ccc1Cl ZINC001231732927 818162348 /nfs/dbraw/zinc/16/23/48/818162348.db2.gz JYSLLDIALYDYJQ-LLVKDONJSA-N -1 1 279.689 3.225 20 0 CGADMM Cc1ccc(CN(C)Cc2cccc([O-])c2Cl)cn1 ZINC001232789898 818440691 /nfs/dbraw/zinc/44/06/91/818440691.db2.gz WOGRTGQPJGOIAV-UHFFFAOYSA-N -1 1 276.767 3.381 20 0 CGADMM COc1cccc(CN(C)Cc2ccc(F)c([O-])c2F)c1 ZINC001232936578 818478057 /nfs/dbraw/zinc/47/80/57/818478057.db2.gz UOYBOHQGPFXNAA-UHFFFAOYSA-N -1 1 293.313 3.311 20 0 CGADMM [O-]c1cc(CN2CC[C@H](F)C(F)(F)CC2)cc(F)c1F ZINC001232968243 818485551 /nfs/dbraw/zinc/48/55/51/818485551.db2.gz GIYRYGTUZXYYPK-NSHDSACASA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cc(CN2CCC[C@H]2c2nccs2)cc(F)c1F ZINC001232973337 818488027 /nfs/dbraw/zinc/48/80/27/818488027.db2.gz UNFOAUCQLRAGMR-NSHDSACASA-N -1 1 296.342 3.464 20 0 CGADMM [O-]c1cc(CN2CCc3ccsc3C2)cc(F)c1F ZINC001232970218 818488872 /nfs/dbraw/zinc/48/88/72/818488872.db2.gz BXXUSLDMADLLSF-UHFFFAOYSA-N -1 1 281.327 3.290 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCc2cc(F)ccc2C1 ZINC001233037584 818508886 /nfs/dbraw/zinc/50/88/86/818508886.db2.gz CXFUFIVZOORIJQ-UHFFFAOYSA-N -1 1 292.741 3.138 20 0 CGADMM Oc1cccc2c1CCN(Cc1ccc([S-])cc1)C2 ZINC001233258695 818559188 /nfs/dbraw/zinc/55/91/88/818559188.db2.gz PEBFMUCAKWGSLJ-UHFFFAOYSA-N -1 1 271.385 3.239 20 0 CGADMM [O-]c1ccc(-c2ccc3c(c2)COCC3)c(F)c1F ZINC001243341714 823355397 /nfs/dbraw/zinc/35/53/97/823355397.db2.gz XBUXCMXHSFAUBY-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OC[C@@H]1CC[C@H](C)O1 ZINC001233649417 818669044 /nfs/dbraw/zinc/66/90/44/818669044.db2.gz XQPLFIUBBYSPLK-AAEUAGOBSA-N -1 1 278.348 3.321 20 0 CGADMM CCOC(=O)c1ncc(-c2ccc([O-])c(F)c2F)cc1C ZINC001243341570 823356483 /nfs/dbraw/zinc/35/64/83/823356483.db2.gz UPDJAIYSDZFLCI-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM CCOc1ccc(-c2ccc([O-])c(F)c2F)c(C)n1 ZINC001243342898 823357651 /nfs/dbraw/zinc/35/76/51/823357651.db2.gz ONJMGTBDENRWCA-UHFFFAOYSA-N -1 1 265.259 3.440 20 0 CGADMM CC(=O)Nc1ccc(-c2ccc([O-])c(F)c2F)cc1F ZINC001243342787 823357843 /nfs/dbraw/zinc/35/78/43/823357843.db2.gz UIHGTQFSFHNKLI-UHFFFAOYSA-N -1 1 281.233 3.435 20 0 CGADMM C=CC(=O)Oc1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243343857 823358670 /nfs/dbraw/zinc/35/86/70/823358670.db2.gz QOGGNFDGGQOROR-UHFFFAOYSA-N -1 1 276.238 3.429 20 0 CGADMM COc1c(F)ccc(-c2ccc([O-])c(F)c2F)c1OC ZINC001243343677 823359185 /nfs/dbraw/zinc/35/91/85/823359185.db2.gz MLHNGBULVCESTH-UHFFFAOYSA-N -1 1 284.233 3.494 20 0 CGADMM COC(=O)c1cccc2[n-]c(O[C@@H](C)CC(C)C)nc21 ZINC001234039473 818765472 /nfs/dbraw/zinc/76/54/72/818765472.db2.gz OPDLHDBMZBESQB-JTQLQIEISA-N -1 1 276.336 3.163 20 0 CGADMM COC(=O)c1cccc2nc(O[C@@H](C)CC(C)C)[n-]c21 ZINC001234039473 818765476 /nfs/dbraw/zinc/76/54/76/818765476.db2.gz OPDLHDBMZBESQB-JTQLQIEISA-N -1 1 276.336 3.163 20 0 CGADMM COC(=O)c1cccc2[n-]c(OC3CCCCC3)nc21 ZINC001234039000 818765534 /nfs/dbraw/zinc/76/55/34/818765534.db2.gz IQSZREQELXIESU-UHFFFAOYSA-N -1 1 274.320 3.061 20 0 CGADMM COC(=O)c1cccc2nc(OC3CCCCC3)[n-]c21 ZINC001234039000 818765537 /nfs/dbraw/zinc/76/55/37/818765537.db2.gz IQSZREQELXIESU-UHFFFAOYSA-N -1 1 274.320 3.061 20 0 CGADMM [O-]c1c(F)cc(F)c(-c2ccc3[nH]cnc3c2)c1F ZINC001235996058 819265511 /nfs/dbraw/zinc/26/55/11/819265511.db2.gz SLRXPNRSRRZKOB-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM Cc1ccc(F)c(-c2cnc(C(F)(F)F)cn2)c1[O-] ZINC001236390347 819446118 /nfs/dbraw/zinc/44/61/18/819446118.db2.gz JKAOOPUMEACTEE-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM Cc1ccc(F)c(-c2cc(-c3ccccn3)ncn2)c1[O-] ZINC001236390703 819447503 /nfs/dbraw/zinc/44/75/03/819447503.db2.gz GXWBGEPLJANRKO-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM Cc1c[nH]c2ncnc(-c3c(F)ccc(C)c3[O-])c12 ZINC001236392555 819449134 /nfs/dbraw/zinc/44/91/34/819449134.db2.gz PRZUQKNCBUXNGF-UHFFFAOYSA-N -1 1 257.268 3.038 20 0 CGADMM COC(=O)c1c(C)cccc1-c1cc(F)cc(F)c1[O-] ZINC001243503019 823421571 /nfs/dbraw/zinc/42/15/71/823421571.db2.gz FCUICUDNRNGFGR-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cnc(OCC2CCC2)nc1 ZINC001243503380 823422749 /nfs/dbraw/zinc/42/27/49/823422749.db2.gz ATCHCQARORIFDA-UHFFFAOYSA-N -1 1 292.285 3.306 20 0 CGADMM Cc1cc(-c2cc(F)cc(F)c2[O-])c2nccn2c1 ZINC001243505427 823423431 /nfs/dbraw/zinc/42/34/31/823423431.db2.gz RRDIOKZIGVEQQL-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM NC(=O)c1cc2cc(-c3cc(F)cc(F)c3[O-])ccc2o1 ZINC001243506215 823423990 /nfs/dbraw/zinc/42/39/90/823423990.db2.gz QRKFDXYXJQBDMR-UHFFFAOYSA-N -1 1 289.237 3.183 20 0 CGADMM O=c1ccc(-c2cc(F)cc(F)c2[O-])cn1CC1CCC1 ZINC001243505945 823424299 /nfs/dbraw/zinc/42/42/99/823424299.db2.gz XOJUDRBGYSDDAC-UHFFFAOYSA-N -1 1 291.297 3.299 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@H](CF)C2)cc1Cl ZINC001237987690 819902523 /nfs/dbraw/zinc/90/25/23/819902523.db2.gz BWMIBLAHJAKVRB-SECBINFHSA-N -1 1 275.726 3.366 20 0 CGADMM [O-]c1cc(-c2nccnc2OC(F)F)ccc1Cl ZINC001243579973 823453399 /nfs/dbraw/zinc/45/33/99/823453399.db2.gz YTVOTTAPWQJFHB-UHFFFAOYSA-N -1 1 272.638 3.104 20 0 CGADMM Cc1cc2ncnc(-c3ccc(Cl)c([O-])c3)c2[nH]1 ZINC001243576678 823451062 /nfs/dbraw/zinc/45/10/62/823451062.db2.gz SISNODPMZQXJSG-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM CCOC(=O)c1cc(F)cnc1-c1ccc(Cl)c([O-])c1 ZINC001243577027 823451570 /nfs/dbraw/zinc/45/15/70/823451570.db2.gz RBLXIDFKCZEDAS-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM NC(=O)c1cc2ccccc2c(-c2ccc(Cl)c([O-])c2)n1 ZINC001243577952 823451860 /nfs/dbraw/zinc/45/18/60/823451860.db2.gz GBLMAPJFAOFNIV-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM CN1C(=O)Cc2cc(-c3ccc(Cl)c([O-])c3)ccc21 ZINC001243577669 823452166 /nfs/dbraw/zinc/45/21/66/823452166.db2.gz BBAZBUKVFVQZIQ-UHFFFAOYSA-N -1 1 273.719 3.232 20 0 CGADMM CCOC(=O)c1ccnc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243577106 823452174 /nfs/dbraw/zinc/45/21/74/823452174.db2.gz SZNIVTCCKSIJBS-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM CN(C)C(=O)Cc1ccc(-c2ccc(Cl)c([O-])c2)cc1 ZINC001243578847 823452638 /nfs/dbraw/zinc/45/26/38/823452638.db2.gz VIXCKQWBXCJYSV-UHFFFAOYSA-N -1 1 289.762 3.343 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1ccnc(F)n1 ZINC001243606066 823464888 /nfs/dbraw/zinc/46/48/88/823464888.db2.gz GHEVBKTWASRWAL-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM Cc1c2[nH]cnc2ccc1-c1ccc(C(=O)[O-])cc1F ZINC001239256753 820242511 /nfs/dbraw/zinc/24/25/11/820242511.db2.gz OTZXBSAGKORKQU-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccsc3)ccc2[n-]1 ZINC001239511238 820358059 /nfs/dbraw/zinc/35/80/59/820358059.db2.gz MSCZOKGOSGRYPK-UHFFFAOYSA-N -1 1 272.329 3.468 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccsc3)cc2[n-]1 ZINC001239511238 820358070 /nfs/dbraw/zinc/35/80/70/820358070.db2.gz MSCZOKGOSGRYPK-UHFFFAOYSA-N -1 1 272.329 3.468 20 0 CGADMM CCOC(=O)CCc1cccnc1-c1cc(F)ccc1[O-] ZINC001240695008 821250597 /nfs/dbraw/zinc/25/05/97/821250597.db2.gz ABYOZUXRVMVZPQ-UHFFFAOYSA-N -1 1 289.306 3.089 20 0 CGADMM [O-]c1ccc(-c2ncc3cc(F)ccc3n2)cc1F ZINC001240781954 821321025 /nfs/dbraw/zinc/32/10/25/821321025.db2.gz MTBVKQQYVQVINX-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Cc1[nH]c2c(ncnc2-c2ccc([O-])c(F)c2)c1C ZINC001240782734 821321752 /nfs/dbraw/zinc/32/17/52/821321752.db2.gz HESMSLCLFVGFCS-UHFFFAOYSA-N -1 1 257.268 3.086 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3cccnc3n2)c(F)c1 ZINC001241118705 821574351 /nfs/dbraw/zinc/57/43/51/821574351.db2.gz VJFBHUCCDPBWIA-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(F)c(-c2cnc(OCC3CCC3)cn2)c(F)c1 ZINC001241121170 821577431 /nfs/dbraw/zinc/57/74/31/821577431.db2.gz CTGMKAUKRVWRIU-UHFFFAOYSA-N -1 1 292.285 3.306 20 0 CGADMM Cc1ccc(-c2c(F)cc([O-])cc2F)cc1S(C)(=O)=O ZINC001241122052 821578863 /nfs/dbraw/zinc/57/88/63/821578863.db2.gz KEIZHMCFVCQXGT-UHFFFAOYSA-N -1 1 298.310 3.049 20 0 CGADMM Cc1cn2c(cccc2-c2c(F)cc([O-])cc2F)n1 ZINC001241122002 821578982 /nfs/dbraw/zinc/57/89/82/821578982.db2.gz IDVVRCNFRWEWIG-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM COc1nc(C)ccc1-c1c(F)cc([O-])cc1F ZINC001241122326 821579096 /nfs/dbraw/zinc/57/90/96/821579096.db2.gz AMBGJYLFENOSDT-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COC(=O)c1cc(-c2c(F)cc([O-])cc2F)ccc1OC ZINC001241122838 821580046 /nfs/dbraw/zinc/58/00/46/821580046.db2.gz NTHCNMPQEKKUFN-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM O=C1CSc2cc(-c3c(F)cc([O-])cc3F)ccc2N1 ZINC001241123273 821580252 /nfs/dbraw/zinc/58/02/52/821580252.db2.gz YWJGPCPLLZHVGF-UHFFFAOYSA-N -1 1 293.294 3.382 20 0 CGADMM [O-]c1ccc(F)c(-c2nc(C3CC3)nc3c2CCC3)c1F ZINC001241290173 821706978 /nfs/dbraw/zinc/70/69/78/821706978.db2.gz MGNPPXDUZFGFGO-UHFFFAOYSA-N -1 1 288.297 3.494 20 0 CGADMM Cc1cc(-c2c(F)ccc([O-])c2F)nc(C2CC2)n1 ZINC001241290340 821707100 /nfs/dbraw/zinc/70/71/00/821707100.db2.gz QDFPEFACKGIFAC-UHFFFAOYSA-N -1 1 262.259 3.313 20 0 CGADMM CC(C)c1cnc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241291521 821708131 /nfs/dbraw/zinc/70/81/31/821708131.db2.gz OEXUGDSOPHQMCE-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM Cn1ccc2c1ccnc2-c1c(F)ccc([O-])c1F ZINC001241291893 821709171 /nfs/dbraw/zinc/70/91/71/821709171.db2.gz WFVMXDFEMDBXKT-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM Cc1cc(C)c(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1C ZINC001241641147 822025384 /nfs/dbraw/zinc/02/53/84/822025384.db2.gz IYVFTJCHFZEOKG-UHFFFAOYSA-N -1 1 279.339 3.091 20 0 CGADMM COC(=O)c1nc2cc(C3=CCCCC3)ccc2[n-]1 ZINC001241717453 822096818 /nfs/dbraw/zinc/09/68/18/822096818.db2.gz QZTGIHWVCZMZBX-UHFFFAOYSA-N -1 1 256.305 3.307 20 0 CGADMM COC(=O)c1nc2ccc(C3=CCCCC3)cc2[n-]1 ZINC001241717453 822096825 /nfs/dbraw/zinc/09/68/25/822096825.db2.gz QZTGIHWVCZMZBX-UHFFFAOYSA-N -1 1 256.305 3.307 20 0 CGADMM Cc1cc(-c2ccc([O-])c(C(F)(F)F)c2)c(=O)n(C)c1 ZINC001242168272 822900920 /nfs/dbraw/zinc/90/09/20/822900920.db2.gz KQTIIRQMAJKMRB-UHFFFAOYSA-N -1 1 283.249 3.085 20 0 CGADMM COC(=O)c1cc(F)c(F)c(-c2ccc(F)cc2[O-])c1 ZINC001242219621 822916270 /nfs/dbraw/zinc/91/62/70/822916270.db2.gz XVDPXMKGHLJASZ-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COc1ccc2nccc(-c3ccc(F)cc3[O-])c2n1 ZINC001242221128 822917095 /nfs/dbraw/zinc/91/70/95/822917095.db2.gz PVOFDJPMGHNLKX-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM Cc1cccc(-c2ncc(C)c(NC(C)C)n2)c1[O-] ZINC001242342826 822956954 /nfs/dbraw/zinc/95/69/54/822956954.db2.gz HXAPUORLQSEWPQ-UHFFFAOYSA-N -1 1 257.337 3.286 20 0 CGADMM Cc1cccc(-c2ncc(C)c(NCC3CC3)n2)c1[O-] ZINC001242343504 822957301 /nfs/dbraw/zinc/95/73/01/822957301.db2.gz VMYUAFDIHBRAFE-UHFFFAOYSA-N -1 1 269.348 3.288 20 0 CGADMM COC(=O)c1cc(F)c(-c2cccc(F)c2[O-])cc1F ZINC001242351980 822961837 /nfs/dbraw/zinc/96/18/37/822961837.db2.gz FYHXWFFVYHRZKV-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM [O-]c1c(F)cccc1-c1ccc2ncnn2c1C(F)(F)F ZINC001242353557 822963215 /nfs/dbraw/zinc/96/32/15/822963215.db2.gz HOWYSBBHJJLXBR-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM Cc1cc(-c2cccc(Cl)c2[O-])cc2c1OCC(=O)N2 ZINC001242367486 822969512 /nfs/dbraw/zinc/96/95/12/822969512.db2.gz NJRLGIUGOQJKPL-UHFFFAOYSA-N -1 1 289.718 3.352 20 0 CGADMM O=C1C[C@@H](c2cccc(-c3cccc(Cl)c3[O-])c2)CN1 ZINC001242366706 822969561 /nfs/dbraw/zinc/96/95/61/822969561.db2.gz SBUCUNCYVWTXPC-GFCCVEGCSA-N -1 1 287.746 3.316 20 0 CGADMM CC[C@@H]1CCCN(Cc2ncc(Br)cc2[O-])C1 ZINC001308617977 933142860 /nfs/dbraw/zinc/14/28/60/933142860.db2.gz DEGWORNGEYKQQR-SNVBAGLBSA-N -1 1 299.212 3.172 20 0 CGADMM Cc1onc(-c2cccc(F)c2)c1C(=O)[N-]c1cnoc1 ZINC001357930021 937183241 /nfs/dbraw/zinc/18/32/41/937183241.db2.gz JPOHYTQYPADAJS-UHFFFAOYSA-N -1 1 287.250 3.029 20 0 CGADMM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1c[n-][nH]c1=O ZINC001364149863 937232885 /nfs/dbraw/zinc/23/28/85/937232885.db2.gz QJCSKHXJJQQQGZ-GHMZBOCLSA-N -1 1 285.347 3.043 20 0 CGADMM CC(C)Cc1cccc([C@H](C)C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001364510743 937233065 /nfs/dbraw/zinc/23/30/65/937233065.db2.gz BVPNITNLRXGLHZ-NSHDSACASA-N -1 1 287.363 3.056 20 0 CGADMM Cc1nc(SC[C@H]2CCCC[C@H]2O)[n-]c(=O)c1C1CC1 ZINC001421434793 937247035 /nfs/dbraw/zinc/24/70/35/937247035.db2.gz BPHYBLDDTKTTDZ-VXGBXAGGSA-N -1 1 294.420 3.011 20 0 CGADMM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc([O-])cn1 ZINC001441174442 937336894 /nfs/dbraw/zinc/33/68/94/937336894.db2.gz DTCZWZYIKZHCMJ-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM CC1(C)CN(C(=O)c2ccc(F)c([O-])c2)CC(C)(C)C1 ZINC001447370023 937368356 /nfs/dbraw/zinc/36/83/56/937368356.db2.gz ZTAWUGLUGMWQST-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM O=C(Cc1cc(F)ccc1F)Nc1ccc([O-])c(F)c1F ZINC001449451136 937379503 /nfs/dbraw/zinc/37/95/03/937379503.db2.gz WFCLJMWSFCFAAH-UHFFFAOYSA-N -1 1 299.223 3.130 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(F)c([O-])c2)c2ccccc21 ZINC001451867104 937392241 /nfs/dbraw/zinc/39/22/41/937392241.db2.gz ZKWVVHDGTXJVGF-SNVBAGLBSA-N -1 1 271.291 3.295 20 0 CGADMM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([O-])cn1 ZINC001450611867 937386631 /nfs/dbraw/zinc/38/66/31/937386631.db2.gz SROTXZCRXGEPQG-NEPJUHHUSA-N -1 1 276.380 3.074 20 0 CGADMM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([O-])cn1 ZINC001450611871 937387006 /nfs/dbraw/zinc/38/70/06/937387006.db2.gz SROTXZCRXGEPQG-RYUDHWBXSA-N -1 1 276.380 3.074 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc(F)c([O-])c1 ZINC001452259541 937394614 /nfs/dbraw/zinc/39/46/14/937394614.db2.gz MEDRWGPBHRUDLE-KBPBESRZSA-N -1 1 285.318 3.065 20 0 CGADMM O=C(Nc1ccccc1-c1ncco1)c1cccc([O-])c1F ZINC001453770022 937404943 /nfs/dbraw/zinc/40/49/43/937404943.db2.gz LZWARJYTULPFQN-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM C[C@@H]1CC(CNC(=O)c2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC001453059116 937400403 /nfs/dbraw/zinc/40/04/03/937400403.db2.gz QVPVAFVDKXRNKV-QWRGUYRKSA-N -1 1 279.355 3.333 20 0 CGADMM Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)o1 ZINC001454257588 937407733 /nfs/dbraw/zinc/40/77/33/937407733.db2.gz HYWXYRGZTCFRJE-UHFFFAOYSA-N -1 1 299.248 3.242 20 0 CGADMM CCC[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC001225765485 932039466 /nfs/dbraw/zinc/03/94/66/932039466.db2.gz LTJYFEUVXITNDA-LLVKDONJSA-N -1 1 276.361 3.391 20 0 CGADMM Cc1cc(C)c2c(n1)nc(=S)[n-]c2O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001229303973 932128541 /nfs/dbraw/zinc/12/85/41/932128541.db2.gz QGVQDDGVXBWINM-TUAOUCFPSA-N -1 1 299.399 3.274 20 0 CGADMM [O-]c1cc(O[C@@H]2CCc3nccn3C2)c(Cl)cc1Cl ZINC001229406584 932146327 /nfs/dbraw/zinc/14/63/27/932146327.db2.gz ZYDPAEOZUOFVHV-MRVPVSSYSA-N -1 1 299.157 3.289 20 0 CGADMM COc1ccc(-c2nc(-c3cc(C)nc(C)c3)no2)c([O-])c1 ZINC000350564222 932726224 /nfs/dbraw/zinc/72/62/24/932726224.db2.gz FXOBQUDRANJEAF-UHFFFAOYSA-N -1 1 297.314 3.130 20 0 CGADMM Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C1CC1 ZINC001332224141 932735900 /nfs/dbraw/zinc/73/59/00/932735900.db2.gz WBBJSDBFUDLTCQ-CYBMUJFWSA-N -1 1 262.740 3.397 20 0 CGADMM Cc1cc(Oc2cc(Cl)nc(=O)[n-]2)ccc1F ZINC001306998907 932765595 /nfs/dbraw/zinc/76/55/95/932765595.db2.gz QHCSSHPAKFPICS-UHFFFAOYSA-N -1 1 254.648 3.075 20 0 CGADMM COc1cccc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001308483546 933117502 /nfs/dbraw/zinc/11/75/02/933117502.db2.gz CGPHQTHMNDDBTE-UHFFFAOYSA-N -1 1 295.342 3.199 20 0 CGADMM C[C@@H]1CC(C)(C)C[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001309823664 933244698 /nfs/dbraw/zinc/24/46/98/933244698.db2.gz KMOGSKRYURFXKR-LDYMZIIASA-N -1 1 251.292 3.270 20 0 CGADMM Cc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c([O-])c1 ZINC001463913094 937682988 /nfs/dbraw/zinc/68/29/88/937682988.db2.gz GEAVQZRZERXCIN-UHFFFAOYSA-N -1 1 285.318 3.433 20 0 CGADMM Cc1ccc2c(c1)N(C(=O)c1ccc(F)c([O-])c1)CCC2 ZINC001465065248 937697530 /nfs/dbraw/zinc/69/75/30/937697530.db2.gz ITNSRNVMNSIOBQ-UHFFFAOYSA-N -1 1 285.318 3.433 20 0 CGADMM Cc1nc(C)c(NC(=O)Cc2ccc([O-])c(Cl)c2)s1 ZINC001465685124 937702635 /nfs/dbraw/zinc/70/26/35/937702635.db2.gz KLUHSUPQLBBGIM-UHFFFAOYSA-N -1 1 296.779 3.300 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2c([O-])cccc2F)[C@@H]1C ZINC001467612683 937719562 /nfs/dbraw/zinc/71/95/62/937719562.db2.gz PSZGBDUNYDJCJS-UTUOFQBUSA-N -1 1 279.355 3.333 20 0 CGADMM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001467999371 937723872 /nfs/dbraw/zinc/72/38/72/937723872.db2.gz MNUYZNPCSXZIAO-SECBINFHSA-N -1 1 293.269 3.076 20 0 CGADMM CC(C)(CCNC(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC001468388669 937727478 /nfs/dbraw/zinc/72/74/78/937727478.db2.gz DWPOQJXFZUBSPQ-UHFFFAOYSA-N -1 1 298.386 3.497 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)c([O-])c1 ZINC001469047213 937734725 /nfs/dbraw/zinc/73/47/25/937734725.db2.gz ZPDUVZSFJUQMML-DRZSPHRISA-N -1 1 276.380 3.040 20 0 CGADMM CCC[C@H](NCc1ccc(CSC(F)F)o1)C(=O)[O-] ZINC001320749068 934096758 /nfs/dbraw/zinc/09/67/58/934096758.db2.gz RRJQZQOEJLIRRW-JTQLQIEISA-N -1 1 293.335 3.078 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001469928822 937745620 /nfs/dbraw/zinc/74/56/20/937745620.db2.gz MQIPSXLSHQDMBJ-BDJLRTHQSA-N -1 1 289.281 3.355 20 0 CGADMM C[C@@H](CC1CCCC1)C(=O)[N-]Oc1ccc(F)cc1 ZINC001469938585 937746184 /nfs/dbraw/zinc/74/61/84/937746184.db2.gz WLOWPXYWSHWTSW-NSHDSACASA-N -1 1 265.328 3.452 20 0 CGADMM O=C(N[C@@H]1CCCC[C@@H]1F)c1ccc(Cl)cc1[O-] ZINC001470888864 937758802 /nfs/dbraw/zinc/75/88/02/937758802.db2.gz PRWZXMJOWIYUGZ-WDEREUQCSA-N -1 1 271.719 3.056 20 0 CGADMM O=C(Cc1cc2ccccc2o1)Nc1cccc(F)c1[O-] ZINC001471167058 937762007 /nfs/dbraw/zinc/76/20/07/937762007.db2.gz XPGLKISZAFVKBG-UHFFFAOYSA-N -1 1 285.274 3.459 20 0 CGADMM CCc1ccsc1C(=O)Nc1cccc(F)c1[O-] ZINC001471166564 937762119 /nfs/dbraw/zinc/76/21/19/937762119.db2.gz LQZNWNVHFMPGEU-UHFFFAOYSA-N -1 1 265.309 3.408 20 0 CGADMM CCc1ccc2c(c1)CN(C(=O)c1ccc(F)c([O-])c1)CC2 ZINC001472432902 937776324 /nfs/dbraw/zinc/77/63/24/937776324.db2.gz YMZZLORYWJCGQC-UHFFFAOYSA-N -1 1 299.345 3.292 20 0 CGADMM CC1(C)CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC001326161090 934955464 /nfs/dbraw/zinc/95/54/64/934955464.db2.gz JTKKXJOZQUMPRU-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM CC[C@@H](NCc1cc(C(=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC001334798558 936115320 /nfs/dbraw/zinc/11/53/20/936115320.db2.gz FETOVMJUWXFQFL-GFCCVEGCSA-N -1 1 293.754 3.002 20 0 CGADMM CCc1ccc2nc(-c3ccc(C(C)=O)s3)[n-]c(=O)c2c1 ZINC001336205288 936180424 /nfs/dbraw/zinc/18/04/24/936180424.db2.gz OEDIOFBGHBCLNL-UHFFFAOYSA-N -1 1 298.367 3.417 20 0 CGADMM CC(C)CCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001474824038 937880298 /nfs/dbraw/zinc/88/02/98/937880298.db2.gz JMKFASFCRKDZLD-UHFFFAOYSA-N -1 1 299.367 3.286 20 0 CGADMM CCOC(=O)c1cnc(NC(=O)CCCCCC(C)C)[n-]1 ZINC001525687134 938050787 /nfs/dbraw/zinc/05/07/87/938050787.db2.gz ZYVBUVRPIXCZTR-UHFFFAOYSA-N -1 1 295.383 3.131 20 0 CGADMM CCOC(=O)c1c[n-]c(NC(=O)CCCCCC(C)C)n1 ZINC001525687134 938050788 /nfs/dbraw/zinc/05/07/88/938050788.db2.gz ZYVBUVRPIXCZTR-UHFFFAOYSA-N -1 1 295.383 3.131 20 0 CGADMM O=C([N-]c1nocc1C1CC1)c1ocnc1-c1ccccc1 ZINC001536865469 938107107 /nfs/dbraw/zinc/10/71/07/938107107.db2.gz DSCUCEDJXXUJNE-UHFFFAOYSA-N -1 1 295.298 3.459 20 0 CGADMM Cc1ccc(-c2nc(C(=O)[N-]c3conc3C)cs2)o1 ZINC001537836506 938113754 /nfs/dbraw/zinc/11/37/54/938113754.db2.gz ATRZIJZIRNJEOH-UHFFFAOYSA-N -1 1 289.316 3.260 20 0 CGADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(F)c([O-])c2)C1 ZINC001540604680 938132370 /nfs/dbraw/zinc/13/23/70/938132370.db2.gz BDZHYKHFEMMCGU-PWSUYJOCSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c1 ZINC001540668115 938132811 /nfs/dbraw/zinc/13/28/11/938132811.db2.gz ZPDIEZGBELIFKN-WFASDCNBSA-N -1 1 289.375 3.164 20 0 CGADMM Cc1cnc(C(=O)NCc2cccc3ccccc32)c([O-])c1 ZINC001543133110 938137956 /nfs/dbraw/zinc/13/79/56/938137956.db2.gz KZERNWBVVHBJEA-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM Cc1ncccc1/C=C/C(=O)Nc1ccc([O-])c(F)c1F ZINC001556592397 938204746 /nfs/dbraw/zinc/20/47/46/938204746.db2.gz KKKLODUGSJNSOO-QPJJXVBHSA-N -1 1 290.269 3.026 20 0 CGADMM O=C(CCc1cccs1)Nc1cc([O-])c(F)cc1F ZINC001556919942 938206437 /nfs/dbraw/zinc/20/64/37/938206437.db2.gz WZEDWKQKVDXFQK-UHFFFAOYSA-N -1 1 283.299 3.303 20 0 CGADMM Cc1cc(F)cc(C(=O)Nc2cccc(F)c2[O-])c1 ZINC001557956954 938212654 /nfs/dbraw/zinc/21/26/54/938212654.db2.gz OUBHHGKNYYPEPX-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccc3cnccc3c2)n1 ZINC001559400580 938226144 /nfs/dbraw/zinc/22/61/44/938226144.db2.gz JOCKEYHLDDJSKO-UHFFFAOYSA-N -1 1 299.355 3.037 20 0 CGADMM Cc1cnc(SC/C=C/c2ccccc2)[n-]c1=O ZINC001559415697 938226306 /nfs/dbraw/zinc/22/63/06/938226306.db2.gz DWRKABXAYRPEGB-VMPITWQZSA-N -1 1 258.346 3.296 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cc(F)cc(F)c1 ZINC000097903971 949206763 /nfs/dbraw/zinc/20/67/63/949206763.db2.gz NQDDOOMHPUTNRY-UHFFFAOYSA-N -1 1 291.297 3.295 20 0 CGADMM Cc1cc(CN2CC=C(C(C)(C)C)CC2)oc1C(=O)[O-] ZINC000382538580 971820466 /nfs/dbraw/zinc/82/04/66/971820466.db2.gz RRMMYNDLXLIOIT-UHFFFAOYSA-N -1 1 277.364 3.464 20 0 CGADMM O=C([O-])c1ccc2c(c1)CN(CCCC(F)(F)F)CC2 ZINC000212042503 959708018 /nfs/dbraw/zinc/70/80/18/959708018.db2.gz WYTKUNLIMKQEOA-UHFFFAOYSA-N -1 1 287.281 3.085 20 0 CGADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(F)c([O-])c1 ZINC001565786118 960826488 /nfs/dbraw/zinc/82/64/88/960826488.db2.gz VUUNMJOGPFITLB-WDEREUQCSA-N -1 1 265.328 3.182 20 0 CGADMM CC(C)CC1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC001566252535 960912166 /nfs/dbraw/zinc/91/21/66/960912166.db2.gz PWNHCQZDOSFZHO-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1scnc1C1CC1 ZINC001570101770 961908427 /nfs/dbraw/zinc/90/84/27/961908427.db2.gz JXVFBRFSYVFOBO-UHFFFAOYSA-N -1 1 296.298 3.257 20 0 CGADMM CC[C@H](NC(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001570392760 961961436 /nfs/dbraw/zinc/96/14/36/961961436.db2.gz QWRTXBLTHDXRRN-ZDUSSCGKSA-N -1 1 273.307 3.412 20 0 CGADMM CC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])[C@@H]1CCCCO1 ZINC001583104840 962774193 /nfs/dbraw/zinc/77/41/93/962774193.db2.gz SIHAIWMFVBIXTH-OCCSQVGLSA-N -1 1 297.782 3.123 20 0 CGADMM CC(C)CCc1ccccc1NC(=O)c1cnncc1[O-] ZINC001583708000 962853446 /nfs/dbraw/zinc/85/34/46/962853446.db2.gz JZLLNEDUXJEOGU-UHFFFAOYSA-N -1 1 285.347 3.023 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1CC2CCC1CC2 ZINC001584008201 962878988 /nfs/dbraw/zinc/87/89/88/962878988.db2.gz JUFAJTHWIYKNRK-MGULZYLOSA-N -1 1 263.312 3.062 20 0 CGADMM CCc1ncoc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC001584366892 962909816 /nfs/dbraw/zinc/90/98/16/962909816.db2.gz RXSZDAASMNVJKK-UHFFFAOYSA-N -1 1 297.314 3.453 20 0 CGADMM C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001585572349 963030853 /nfs/dbraw/zinc/03/08/53/963030853.db2.gz NXRGOOSCMCMLEB-KWQFWETISA-N -1 1 287.281 3.329 20 0 CGADMM Cc1ccc(C[C@@H](C)NC(=O)c2cccc([O-])c2F)s1 ZINC001586444721 963107676 /nfs/dbraw/zinc/10/76/76/963107676.db2.gz MFKQGCRQEXIDHL-SECBINFHSA-N -1 1 293.363 3.262 20 0 CGADMM COc1ccc(C(=O)N(C)c2cccc3cc[nH]c32)c([O-])c1 ZINC001586941488 963152741 /nfs/dbraw/zinc/15/27/41/963152741.db2.gz PQOAUBBGHUBEMG-UHFFFAOYSA-N -1 1 296.326 3.159 20 0 CGADMM Cc1cc(C)cc(C(=O)Nc2cccc(F)c2[O-])c1 ZINC001587384809 963188465 /nfs/dbraw/zinc/18/84/65/963188465.db2.gz BJDWGFYKZWBMLP-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CCC(CC)CN(CC)Cc1ncc(C(=O)[O-])s1 ZINC001595111813 979460542 /nfs/dbraw/zinc/46/05/42/979460542.db2.gz XVRNIYLBDADRTB-UHFFFAOYSA-N -1 1 270.398 3.099 20 0 CGADMM Cc1[nH]c(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC001599961417 985788813 /nfs/dbraw/zinc/78/88/13/985788813.db2.gz FQDZIEMOTIHUFR-PEYYIBSZSA-N -1 1 290.407 3.422 20 0 CGADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2F)CCC1(F)F ZINC001594538397 986168655 /nfs/dbraw/zinc/16/86/55/986168655.db2.gz NPKUGPVPEJOQOL-SECBINFHSA-N -1 1 287.281 3.001 20 0 CGADMM CC=C(C=CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)CC ZINC001594676675 987007735 /nfs/dbraw/zinc/00/77/35/987007735.db2.gz AOHLPEVVFJSZHI-UTDLVPNFSA-N -1 1 299.330 3.112 20 0 CGADMM CC(C)(C)[C@H]1CCCN(Cc2ncc(C(=O)[O-])s2)C1 ZINC001589732400 987960722 /nfs/dbraw/zinc/96/07/22/987960722.db2.gz KLGWUVYDGKRTCW-JTQLQIEISA-N -1 1 282.409 3.099 20 0 CGADMM CCc1ccc(C)nc1N[C@@H]1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC001597514361 988119925 /nfs/dbraw/zinc/11/99/25/988119925.db2.gz LWJMWUHUTCPTHH-FPMFFAJLSA-N -1 1 276.380 3.254 20 0 CGADMM CCc1cccc2cc(CN[C@](C)(CCF)C(=O)[O-])oc21 ZINC001597603449 988466480 /nfs/dbraw/zinc/46/64/80/988466480.db2.gz CDTBKCIXLJJRJJ-MRXNPFEDSA-N -1 1 293.338 3.288 20 0 CGADMM CC(C)=CCN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001590924416 990922347 /nfs/dbraw/zinc/92/23/47/990922347.db2.gz ISBYGEJELXCISP-GFCCVEGCSA-N -1 1 271.719 3.161 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])cn1)Cc1ccccc1C1CC1 ZINC001598515982 992617258 /nfs/dbraw/zinc/61/72/58/992617258.db2.gz WWJSJAOBEGQBQZ-UHFFFAOYSA-N -1 1 296.370 3.289 20 0 CGADMM CC(C)n1cc([C@@H](C)NCc2ccsc2C(=O)[O-])cn1 ZINC001593311941 994790780 /nfs/dbraw/zinc/79/07/80/994790780.db2.gz WFGUJXKUQKCBRJ-SNVBAGLBSA-N -1 1 293.392 3.075 20 0 CGADMM C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccoc1C(=O)[O-] ZINC001594215611 998829520 /nfs/dbraw/zinc/82/95/20/998829520.db2.gz SCJGXFVUESYDPH-WPRPVWTQSA-N -1 1 291.269 3.141 20 0 CGADMM CN(C[C@@H]1CC1(C)C)C(=O)c1cc(Cl)ccc1[O-] ZINC000621055381 349455567 /nfs/dbraw/zinc/45/55/67/349455567.db2.gz XKJXQZJQAQYJTE-VIFPVBQESA-N -1 1 267.756 3.164 20 0 CGADMM CC[C@H]1CN(Cc2cccc([O-])c2Cl)C[C@@H](C)O1 ZINC000350698334 219049540 /nfs/dbraw/zinc/04/95/40/219049540.db2.gz CZULZDHVSYNMKJ-PWSUYJOCSA-N -1 1 269.772 3.045 20 0 CGADMM CC[C@@H](NC(=O)c1c([O-])cccc1F)C(C)(C)C ZINC000436954684 529661155 /nfs/dbraw/zinc/66/11/55/529661155.db2.gz ACHDMVKNAGJSGG-LLVKDONJSA-N -1 1 253.317 3.086 20 0 CGADMM CCc1nc(CNCc2sccc2C)ccc1C(=O)[O-] ZINC000426651014 529740297 /nfs/dbraw/zinc/74/02/97/529740297.db2.gz JAEHSUDVDSVIJI-UHFFFAOYSA-N -1 1 290.388 3.002 20 0 CGADMM CCc1nc(SCc2ccc(F)cc2)[n-]c(=O)c1C ZINC000006785438 344865943 /nfs/dbraw/zinc/86/59/43/344865943.db2.gz LVFRYSIELWRIKY-UHFFFAOYSA-N -1 1 278.352 3.072 20 0 CGADMM CCN(Cc1cccs1)Cc1cc(C(=O)[O-])oc1C ZINC000051361570 345089269 /nfs/dbraw/zinc/08/92/69/345089269.db2.gz ALGOTZLWEWJJOY-UHFFFAOYSA-N -1 1 279.361 3.370 20 0 CGADMM Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000072678084 345415303 /nfs/dbraw/zinc/41/53/03/345415303.db2.gz IUXWMDRQUBJVME-ZETCQYMHSA-N -1 1 294.738 3.141 20 0 CGADMM Cc1noc(C)c1[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000070936629 345398648 /nfs/dbraw/zinc/39/86/48/345398648.db2.gz QFARMMAZKYKTHN-ZETCQYMHSA-N -1 1 294.738 3.141 20 0 CGADMM CCOCc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000080034082 345662599 /nfs/dbraw/zinc/66/25/99/345662599.db2.gz CFFBMVTYCGTGTQ-UHFFFAOYSA-N -1 1 289.306 3.320 20 0 CGADMM O=C([O-])c1ccc(CN2CCC(C(F)(F)F)CC2)s1 ZINC000088422670 345760923 /nfs/dbraw/zinc/76/09/23/345760923.db2.gz SGJKROHDTADILU-UHFFFAOYSA-N -1 1 293.310 3.221 20 0 CGADMM Cc1cscc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000161639766 232251754 /nfs/dbraw/zinc/25/17/54/232251754.db2.gz VFXXBKNQKIXUJG-UHFFFAOYSA-N -1 1 293.413 3.346 20 0 CGADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000174648138 232304860 /nfs/dbraw/zinc/30/48/60/232304860.db2.gz PLLANAGCTCPWLF-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM CCc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000128599780 346042154 /nfs/dbraw/zinc/04/21/54/346042154.db2.gz LPZNDOSFKMAZBX-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM Cc1ccc(CN(C)Cc2cc(C(=O)[O-])sc2C)o1 ZINC000155955240 346156007 /nfs/dbraw/zinc/15/60/07/346156007.db2.gz YNSWPRDETUNLPM-UHFFFAOYSA-N -1 1 279.361 3.288 20 0 CGADMM CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000232779732 346327746 /nfs/dbraw/zinc/32/77/46/346327746.db2.gz DSXSMBHMIBKQBL-OAHLLOKOSA-N -1 1 299.773 3.412 20 0 CGADMM Cc1ccc(CN(C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000584637966 346701438 /nfs/dbraw/zinc/70/14/38/346701438.db2.gz HUIDCZWETNILDL-AWEZNQCLSA-N -1 1 275.373 3.314 20 0 CGADMM O=c1cc(C(F)(F)F)nc(SCC2CCCC2)[n-]1 ZINC000605446905 348155908 /nfs/dbraw/zinc/15/59/08/348155908.db2.gz RKHVDUGBXURLNH-UHFFFAOYSA-N -1 1 278.299 3.483 20 0 CGADMM C[C@@H](C(=O)Nc1c([O-])cccc1F)c1ccccc1F ZINC000608366425 348301293 /nfs/dbraw/zinc/30/12/93/348301293.db2.gz UZDISYFHNFCNJX-SECBINFHSA-N -1 1 277.270 3.413 20 0 CGADMM CS[C@@H](C)CCC(=O)Nc1c([O-])cccc1F ZINC000611349795 348441052 /nfs/dbraw/zinc/44/10/52/348441052.db2.gz JMHXPDSFZYQUSK-QMMMGPOBSA-N -1 1 257.330 3.002 20 0 CGADMM O=C(Cc1cc(C2CC2)no1)Nc1ccc([O-])c(Cl)c1 ZINC000612760601 348544440 /nfs/dbraw/zinc/54/44/40/348544440.db2.gz YTTXQGHWOOAUMT-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM CC(C)(C)[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613464081 348608241 /nfs/dbraw/zinc/60/82/41/348608241.db2.gz ZATVNSKORBWQFM-ZDUSSCGKSA-N -1 1 298.386 3.449 20 0 CGADMM CCc1c(C)[n-]n(-c2ncnc3sc(C)c(C)c32)c1=O ZINC000614185551 348656929 /nfs/dbraw/zinc/65/69/29/348656929.db2.gz NHSKNHPBAJSDEE-SNVBAGLBSA-N -1 1 288.376 3.057 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H]1C[C@H](C)c2c1cccc2C ZINC000615221760 348724572 /nfs/dbraw/zinc/72/45/72/348724572.db2.gz OAIXBLQSTGZWDB-JQWIXIFHSA-N -1 1 299.374 3.352 20 0 CGADMM CCCCc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000615227455 348725283 /nfs/dbraw/zinc/72/52/83/348725283.db2.gz RUYXLHDEPHUTDW-UHFFFAOYSA-N -1 1 273.336 3.019 20 0 CGADMM CC1(C)CC[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000616100963 348786432 /nfs/dbraw/zinc/78/64/32/348786432.db2.gz KWEOUOKLTDWTBO-SSDOTTSWSA-N -1 1 255.264 3.045 20 0 CGADMM CO[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)C1CCCCC1 ZINC000616099657 348786529 /nfs/dbraw/zinc/78/65/29/348786529.db2.gz DCKXXOJWDGVKML-CQSZACIVSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1ccc2[nH]ccc2c1)c1c(F)ccc([O-])c1F ZINC000358170016 233071033 /nfs/dbraw/zinc/07/10/33/233071033.db2.gz DZHZYGAKHZSQMD-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CCC12CCCC2 ZINC000616514339 348828263 /nfs/dbraw/zinc/82/82/63/348828263.db2.gz JCBRMEXKIYEFJX-UHFFFAOYSA-N -1 1 282.343 3.099 20 0 CGADMM CC(=O)c1cccc(-c2nc3ccccc3c(=O)[n-]2)c1 ZINC000339561383 215242615 /nfs/dbraw/zinc/24/26/15/215242615.db2.gz CBVUCUDUQPDUEZ-UHFFFAOYSA-N -1 1 264.284 3.205 20 0 CGADMM Cc1ccc(CC2CN(C(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000618889606 349176290 /nfs/dbraw/zinc/17/62/90/349176290.db2.gz OKKQZOYDZIWDPB-UHFFFAOYSA-N -1 1 299.345 3.154 20 0 CGADMM CC(C)N(C(=O)c1cc(F)ccc1[O-])C1CCCC1 ZINC000271209445 191001847 /nfs/dbraw/zinc/00/18/47/191001847.db2.gz AWQAXTHBYSAQNW-UHFFFAOYSA-N -1 1 265.328 3.325 20 0 CGADMM CC1(C)C[C@@H](C(=O)Nc2c([O-])cccc2F)C(C)(C)O1 ZINC000626277529 350290862 /nfs/dbraw/zinc/29/08/62/350290862.db2.gz CBNYEEDNGGEHAG-VIFPVBQESA-N -1 1 281.327 3.064 20 0 CGADMM CCc1cc(=O)[n-]c(SCC(=O)C2C(C)(C)C2(C)C)n1 ZINC000629175189 350663443 /nfs/dbraw/zinc/66/34/43/350663443.db2.gz LVDMNALCCHAWRW-UHFFFAOYSA-N -1 1 294.420 3.088 20 0 CGADMM CC(C)(C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CCC1 ZINC000629380353 350685965 /nfs/dbraw/zinc/68/59/65/350685965.db2.gz MKTXLJXOCKTIAT-UHFFFAOYSA-N -1 1 299.374 3.343 20 0 CGADMM Cc1cc2c([n-]c(-c3coc(C4CC4)n3)nc2=O)s1 ZINC000630386608 350831007 /nfs/dbraw/zinc/83/10/07/350831007.db2.gz YBLZFTRNSZOCDO-UHFFFAOYSA-N -1 1 273.317 3.238 20 0 CGADMM Cc1nc(SC[C@@H]2CCO[C@@H](C)C2)[n-]c(=O)c1C1CC1 ZINC000631022875 350927087 /nfs/dbraw/zinc/92/70/87/350927087.db2.gz BWUALNWUNQFQAQ-GXSJLCMTSA-N -1 1 294.420 3.275 20 0 CGADMM Cc1nc(SCC(F)(F)F)[n-]c(=O)c1C1CC1 ZINC000631024976 350927863 /nfs/dbraw/zinc/92/78/63/350927863.db2.gz LFYJHOCDZPBELC-UHFFFAOYSA-N -1 1 264.272 3.022 20 0 CGADMM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631645898 351103297 /nfs/dbraw/zinc/10/32/97/351103297.db2.gz CREZFASKLACIES-BDAKNGLRSA-N -1 1 293.335 3.074 20 0 CGADMM CC[C@H]1C[C@@H](C)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631582429 351077015 /nfs/dbraw/zinc/07/70/15/351077015.db2.gz RLOSRQYPRNHZBF-PWSUYJOCSA-N -1 1 281.783 3.235 20 0 CGADMM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000631728607 351128884 /nfs/dbraw/zinc/12/88/84/351128884.db2.gz UTZJARUGZGTXCW-DTWKUNHWSA-N -1 1 293.335 3.074 20 0 CGADMM CCCC1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000631791156 351141508 /nfs/dbraw/zinc/14/15/08/351141508.db2.gz LRYNVGQAIOKCNJ-UHFFFAOYSA-N -1 1 281.783 3.285 20 0 CGADMM CC[C@H](C)CCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633614946 351332887 /nfs/dbraw/zinc/33/28/87/351332887.db2.gz RLQZVSUBJGVYFA-JTQLQIEISA-N -1 1 269.772 3.141 20 0 CGADMM Cc1[n-]n(-c2ccccc2C(F)(F)F)c(=O)c1C1CC1 ZINC000634584579 351524189 /nfs/dbraw/zinc/52/41/89/351524189.db2.gz HEGRXLVLHMVUML-GFCCVEGCSA-N -1 1 282.265 3.454 20 0 CGADMM CCCc1[n-]n(Cc2cccc(F)c2)c(=O)c1CC ZINC000634589541 351527693 /nfs/dbraw/zinc/52/76/93/351527693.db2.gz AXKMGRQEGBBOGU-CYBMUJFWSA-N -1 1 262.328 3.350 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3cccc(Cl)c3F)c(=O)c21 ZINC000634595134 351530676 /nfs/dbraw/zinc/53/06/76/351530676.db2.gz RADDBSIEPAYBJU-WRWORJQWSA-N -1 1 266.703 3.228 20 0 CGADMM Cc1[n-]n(-c2ccc(C(F)(F)F)cc2)c(=O)c1C1CC1 ZINC000634596065 351532253 /nfs/dbraw/zinc/53/22/53/351532253.db2.gz VNXMTCCVVXDVBK-GFCCVEGCSA-N -1 1 282.265 3.454 20 0 CGADMM C[C@@H]1CCc2[n-]n(CCCOc3ccccc3)c(=O)c2C1 ZINC000634603129 351537577 /nfs/dbraw/zinc/53/75/77/351537577.db2.gz PMODXHDWTSWSHC-UKRRQHHQSA-N -1 1 286.375 3.090 20 0 CGADMM Cc1cnccc1-n1[n-]c2c(c1=O)CCCc1ccccc1-2 ZINC000634606450 351540101 /nfs/dbraw/zinc/54/01/01/351540101.db2.gz SNIUWTGOGKDHQD-HNNXBMFYSA-N -1 1 291.354 3.093 20 0 CGADMM CCc1[n-]n(-c2cc(C(F)(F)F)ccn2)c(=O)c1C(C)C ZINC000634609098 351540864 /nfs/dbraw/zinc/54/08/64/351540864.db2.gz VZPUIHSJNZNXST-GFCCVEGCSA-N -1 1 299.296 3.485 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C1CCC=CCC1 ZINC000636005938 351711703 /nfs/dbraw/zinc/71/17/03/351711703.db2.gz RWEUHSSIVGHNPN-UHFFFAOYSA-N -1 1 267.275 3.355 20 0 CGADMM CC[C@@H](C)CON=c1cc(Cl)[n-]c(C2CC2)n1 ZINC000291944979 198113654 /nfs/dbraw/zinc/11/36/54/198113654.db2.gz TZUGRZQQJUSFNC-MRVPVSSYSA-N -1 1 255.749 3.397 20 0 CGADMM Cc1ccc([C@@H](C)N(C)C(=O)c2cncc([O-])c2)c(C)c1 ZINC000339877782 215377131 /nfs/dbraw/zinc/37/71/31/215377131.db2.gz HEVOGZAIHIBPSD-CYBMUJFWSA-N -1 1 284.359 3.237 20 0 CGADMM Cc1cccc([C@H]2CCCN2C(=O)c2ncccc2[O-])c1 ZINC000153633690 188093963 /nfs/dbraw/zinc/09/39/63/188093963.db2.gz HZZDFEIXYWSBQX-CQSZACIVSA-N -1 1 282.343 3.073 20 0 CGADMM CC(F)(F)CCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000450954416 535207125 /nfs/dbraw/zinc/20/71/25/535207125.db2.gz CBNBEWDPXNRECV-UHFFFAOYSA-N -1 1 270.251 3.257 20 0 CGADMM CC[C@@H](C(=O)[N-]OCCC(F)(F)F)c1ccc(F)cc1 ZINC000154894386 188167888 /nfs/dbraw/zinc/16/78/88/188167888.db2.gz VDVHILVYDHFNCJ-LLVKDONJSA-N -1 1 293.260 3.320 20 0 CGADMM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cncc([O-])c1 ZINC000292513405 198315956 /nfs/dbraw/zinc/31/59/56/198315956.db2.gz BDRPMGANOXPZBW-PBFPGSCMSA-N -1 1 296.370 3.194 20 0 CGADMM FC(F)(F)c1csc(=N[C@@H]2CCC[C@@H]3C[C@@H]32)[n-]1 ZINC000413457941 235279830 /nfs/dbraw/zinc/27/98/30/235279830.db2.gz LPGQJWOVUOYDOX-GJMOJQLCSA-N -1 1 262.300 3.184 20 0 CGADMM Cc1c2ccccc2oc1C(=O)Nc1ccncc1[O-] ZINC000109890370 138362101 /nfs/dbraw/zinc/36/21/01/138362101.db2.gz DVEKFUBCPMXABD-UHFFFAOYSA-N -1 1 268.272 3.094 20 0 CGADMM O=C([O-])[C@H](NCc1cc(F)cc(Cl)c1)c1ccsc1 ZINC000426831999 236317042 /nfs/dbraw/zinc/31/70/42/236317042.db2.gz HOUQXAHOLKSBGC-GFCCVEGCSA-N -1 1 299.754 3.456 20 0 CGADMM Cc1cnc(C(=O)N(CC(C)C)CC(C)(C)C)c([O-])c1 ZINC000427769278 236346131 /nfs/dbraw/zinc/34/61/31/236346131.db2.gz ULIUURUVUAFSGZ-UHFFFAOYSA-N -1 1 278.396 3.240 20 0 CGADMM CC[C@@H]1CO[C@@H](C)CN1Cc1cccc([O-])c1Cl ZINC000294802916 199190460 /nfs/dbraw/zinc/19/04/60/199190460.db2.gz DMICACPBJAIQIT-CMPLNLGQSA-N -1 1 269.772 3.045 20 0 CGADMM C[C@@H]1N(C(=O)c2cc3ccccc3cc2[O-])CCOC1(C)C ZINC000436596586 237141237 /nfs/dbraw/zinc/14/12/37/237141237.db2.gz MUPVRESZNLZSEG-LBPRGKRZSA-N -1 1 299.370 3.185 20 0 CGADMM O=C(NCc1ccc(Cl)cc1F)c1c([O-])cccc1F ZINC000436823510 237184546 /nfs/dbraw/zinc/18/45/46/237184546.db2.gz BITLRKDIHRXPTG-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM Cc1cccc([C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)c1C ZINC000436698971 237161303 /nfs/dbraw/zinc/16/13/03/237161303.db2.gz ROWOXEIZOYDKEV-ZDUSSCGKSA-N -1 1 297.354 3.069 20 0 CGADMM C[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436723942 237166333 /nfs/dbraw/zinc/16/63/33/237166333.db2.gz OVFKJYWOSKKZAA-OCCSQVGLSA-N -1 1 299.370 3.233 20 0 CGADMM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])nc1 ZINC000436761901 237179653 /nfs/dbraw/zinc/17/96/53/237179653.db2.gz AZBBLRTUYULEMR-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM O=C(N[C@H](c1ccccc1)C1CC1)c1c([O-])cccc1F ZINC000436942823 237218091 /nfs/dbraw/zinc/21/80/91/237218091.db2.gz JELKAKBQDBGDKE-MRXNPFEDSA-N -1 1 285.318 3.412 20 0 CGADMM CC[C@H](C)[C@H](NCc1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000341849733 216126232 /nfs/dbraw/zinc/12/62/32/216126232.db2.gz YDMBKGCMKSCTPW-ZANVPECISA-N -1 1 294.786 3.041 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC2(CCC2)C1 ZINC000180707162 189271325 /nfs/dbraw/zinc/27/13/25/189271325.db2.gz NPJYEXXDHWHFED-UHFFFAOYSA-N -1 1 299.292 3.427 20 0 CGADMM CC1(C)CO[C@@H](c2ccccc2)CN1CCCCC(=O)[O-] ZINC000181553578 189300209 /nfs/dbraw/zinc/30/02/09/189300209.db2.gz ZJLQRYQWBBIFQX-OAHLLOKOSA-N -1 1 291.391 3.093 20 0 CGADMM CCC1(C[N-]S(=O)(=O)c2sccc2Cl)CCC1 ZINC000451310627 240272522 /nfs/dbraw/zinc/27/25/22/240272522.db2.gz XTURSRFVAJCIOG-UHFFFAOYSA-N -1 1 293.841 3.260 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2C[C@@H]2C2CCCCC2)s[n-]1 ZINC000509540740 294343933 /nfs/dbraw/zinc/34/39/33/294343933.db2.gz IOXXCCREORGMLO-YUSALJHKSA-N -1 1 281.425 3.048 20 0 CGADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000013947596 368671451 /nfs/dbraw/zinc/67/14/51/368671451.db2.gz DEZYFUDUTVWSBP-UHFFFAOYSA-N -1 1 290.388 3.081 20 0 CGADMM O=C(NCc1ccco1)c1ccc2ccccc2c1[O-] ZINC000017304967 368731442 /nfs/dbraw/zinc/73/14/42/368731442.db2.gz FYXNHCCNUKILTB-UHFFFAOYSA-N -1 1 267.284 3.068 20 0 CGADMM O=C(NCCC1CCCC1)c1cc(Cl)ccc1[O-] ZINC000031934405 368920553 /nfs/dbraw/zinc/92/05/53/368920553.db2.gz VNGLOMCJMSDOTQ-UHFFFAOYSA-N -1 1 267.756 3.356 20 0 CGADMM C[C@H](CN(C)Cc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000042705649 369228992 /nfs/dbraw/zinc/22/89/92/369228992.db2.gz JFTGOBZUWSDMKP-SECBINFHSA-N -1 1 296.417 3.024 20 0 CGADMM Cc1cccc(CN(CC(C)C)C(=O)c2ncccc2[O-])c1 ZINC000494824238 244321185 /nfs/dbraw/zinc/32/11/85/244321185.db2.gz ZYUBZTHEHVFEGQ-UHFFFAOYSA-N -1 1 298.386 3.394 20 0 CGADMM CCN(C[C@H]1CCCO1)C(=O)c1cc2ccccc2cc1[O-] ZINC000057379221 369535870 /nfs/dbraw/zinc/53/58/70/369535870.db2.gz ZXIPWYDIRAPJLE-OAHLLOKOSA-N -1 1 299.370 3.187 20 0 CGADMM O=S(=O)([N-]c1ccsc1Cl)c1cccs1 ZINC000336501909 213377567 /nfs/dbraw/zinc/37/75/67/213377567.db2.gz KDNMKXFARQLRNU-UHFFFAOYSA-N -1 1 279.795 3.264 20 0 CGADMM O=C(Nc1ccc(-c2csnn2)cc1)c1ccccc1[O-] ZINC000098105398 370263893 /nfs/dbraw/zinc/26/38/93/370263893.db2.gz RIQLUEOVJFJGNB-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM Cc1nc(C)c(C(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000111668356 370404074 /nfs/dbraw/zinc/40/40/74/370404074.db2.gz MCOXDSWFDQNESS-UHFFFAOYSA-N -1 1 282.752 3.371 20 0 CGADMM O=C(COc1ccccc1F)Nc1ccc([O-])c(Cl)c1 ZINC000111667149 370404558 /nfs/dbraw/zinc/40/45/58/370404558.db2.gz UJFZGNMXIIBSPM-UHFFFAOYSA-N -1 1 295.697 3.202 20 0 CGADMM Cc1ccc([C@H]2CCCN2C(=O)c2cncc([O-])c2)s1 ZINC000114800981 370513350 /nfs/dbraw/zinc/51/33/50/370513350.db2.gz HOVQHUIJMQLKCW-CYBMUJFWSA-N -1 1 288.372 3.134 20 0 CGADMM Cc1cc(C(=O)Nc2ccncc2[O-])ccc1Cl ZINC000133686941 371271705 /nfs/dbraw/zinc/27/17/05/371271705.db2.gz HKNHCPYMXOYMDC-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM CC(C)(CCc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000134354974 371326313 /nfs/dbraw/zinc/32/63/13/371326313.db2.gz RUBWQERLEPHHQR-UHFFFAOYSA-N -1 1 259.271 3.076 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1Cl ZINC000134601197 371353286 /nfs/dbraw/zinc/35/32/86/371353286.db2.gz FWOSRJIVYYTLIB-UHFFFAOYSA-N -1 1 297.763 3.155 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c(C)s1 ZINC000135032195 371385500 /nfs/dbraw/zinc/38/55/00/371385500.db2.gz KUHMRTXQSUIHHM-UHFFFAOYSA-N -1 1 299.421 3.012 20 0 CGADMM CC[C@H]1C[C@@H](NC(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000421663412 371596951 /nfs/dbraw/zinc/59/69/51/371596951.db2.gz OSYJMHCUIKPPPO-KBPBESRZSA-N -1 1 299.370 3.233 20 0 CGADMM CC[C@@H]1C[C@H](NC(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000421663415 371597384 /nfs/dbraw/zinc/59/73/84/371597384.db2.gz OSYJMHCUIKPPPO-ZIAGYGMSSA-N -1 1 299.370 3.233 20 0 CGADMM COc1cc(C(=O)N2CCCC2(C)C)cc(Cl)c1[O-] ZINC000153891737 371798602 /nfs/dbraw/zinc/79/86/02/371798602.db2.gz CNCRAZPOWACUMV-UHFFFAOYSA-N -1 1 283.755 3.069 20 0 CGADMM COc1cc(C(=O)N(C)[C@@H](C)C2(C)CC2)cc(Cl)c1[O-] ZINC000153964586 371806451 /nfs/dbraw/zinc/80/64/51/371806451.db2.gz DCYAQGVZFVZLNV-VIFPVBQESA-N -1 1 297.782 3.315 20 0 CGADMM O=c1cc(CSCC2CC2)c2ccc([O-])cc2o1 ZINC000291296824 372157488 /nfs/dbraw/zinc/15/74/88/372157488.db2.gz BWNJSEMHECGPDN-UHFFFAOYSA-N -1 1 262.330 3.142 20 0 CGADMM CCCc1nc(CN2CCC[C@@H](CCC(=O)[O-])C2)cs1 ZINC000043585117 541872586 /nfs/dbraw/zinc/87/25/86/541872586.db2.gz IUVNBMBSCVRMJG-LBPRGKRZSA-N -1 1 296.436 3.172 20 0 CGADMM O=C(Nc1ccc(C2CCC2)cn1)c1ccc([O-])cc1F ZINC000294132578 372589730 /nfs/dbraw/zinc/58/97/30/372589730.db2.gz CRVKLPLOUMVUTB-UHFFFAOYSA-N -1 1 286.306 3.446 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000433806946 372633482 /nfs/dbraw/zinc/63/34/82/372633482.db2.gz ALAYSPAZLQNWON-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM COc1cc(C(=O)N(C)[C@H](C)C(C)C)cc(Cl)c1[O-] ZINC000442659082 373062793 /nfs/dbraw/zinc/06/27/93/373062793.db2.gz VPDJMKYRXGBXLB-SECBINFHSA-N -1 1 285.771 3.171 20 0 CGADMM CC[C@@H](C)[C@@H](NC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000444562308 373200824 /nfs/dbraw/zinc/20/08/24/373200824.db2.gz UBXRSXNTYCNOHF-RDDDGLTNSA-N -1 1 293.260 3.238 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@H]2CCO[C@H](C)C2)n1 ZINC000447287196 373415650 /nfs/dbraw/zinc/41/56/50/373415650.db2.gz XFEXJGOZMLMOEA-MNOVXSKESA-N -1 1 282.409 3.042 20 0 CGADMM CCCN(CC(F)F)C(=O)c1ccc(Cl)cc1[O-] ZINC000299490139 373553644 /nfs/dbraw/zinc/55/36/44/373553644.db2.gz NDLZMXIUTCOKJS-UHFFFAOYSA-N -1 1 277.698 3.163 20 0 CGADMM O=C([N-]Cc1ccccc1OC1CCCC1)C(F)(F)F ZINC000299584741 373575571 /nfs/dbraw/zinc/57/55/71/373575571.db2.gz DYXLDSFZRSPHQS-UHFFFAOYSA-N -1 1 287.281 3.187 20 0 CGADMM C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)[C@H]1C(=O)[O-] ZINC000300275194 373623308 /nfs/dbraw/zinc/62/33/08/373623308.db2.gz VYJNWLUERXCRHK-TVQRCGJNSA-N -1 1 285.746 3.164 20 0 CGADMM CCc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181044736 374072050 /nfs/dbraw/zinc/07/20/50/374072050.db2.gz NKJLGZMKBBVZEQ-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccncc2C)c1Cl ZINC000181133969 374084517 /nfs/dbraw/zinc/08/45/17/374084517.db2.gz FTXOVQWLNFUULM-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM CCc1ccc(CNC(=O)c2ccc([O-])cc2F)s1 ZINC000181136248 374084577 /nfs/dbraw/zinc/08/45/77/374084577.db2.gz ORLNMXMOVYQZFV-UHFFFAOYSA-N -1 1 279.336 3.085 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])cc1F)c1cccs1 ZINC000181164493 374089159 /nfs/dbraw/zinc/08/91/59/374089159.db2.gz UPLVTTQAJCDSJA-LBPRGKRZSA-N -1 1 279.336 3.474 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc(F)c(F)c(F)c1 ZINC000089541565 541953075 /nfs/dbraw/zinc/95/30/75/541953075.db2.gz VNWACYNTCVCHJT-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000184881075 374569176 /nfs/dbraw/zinc/56/91/76/374569176.db2.gz PAYGBEJENOGXOX-UHFFFAOYSA-N -1 1 298.273 3.183 20 0 CGADMM C[C@H](COc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000092550802 541975827 /nfs/dbraw/zinc/97/58/27/541975827.db2.gz PZYPWZCHNIVZOJ-LLVKDONJSA-N -1 1 289.306 3.185 20 0 CGADMM COc1cc(C(=O)NC[C@H]2CC[C@H](C)C2)cc(Cl)c1[O-] ZINC000334070812 374644142 /nfs/dbraw/zinc/64/41/42/374644142.db2.gz SKIARGQUGVDVJF-UWVGGRQHSA-N -1 1 297.782 3.220 20 0 CGADMM COC1CCC(NC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000458035786 374672008 /nfs/dbraw/zinc/67/20/08/374672008.db2.gz FLOHHOIDFPDQNI-UHFFFAOYSA-N -1 1 299.370 3.233 20 0 CGADMM CCOc1cc(C(=O)NC[C@@H](C)C(C)C)cc(Cl)c1[O-] ZINC000186827833 374925878 /nfs/dbraw/zinc/92/58/78/374925878.db2.gz MMTWHDAULDPTBB-SNVBAGLBSA-N -1 1 299.798 3.466 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C1CCCCC1 ZINC000335022096 375075289 /nfs/dbraw/zinc/07/52/89/375075289.db2.gz UBAKFHIWSRWHID-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccc3ccccc3n2)n1 ZINC000187589908 375049968 /nfs/dbraw/zinc/04/99/68/375049968.db2.gz ZDALPUTZQHYFSK-UHFFFAOYSA-N -1 1 299.355 3.037 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H](C)c2c(F)cccc2F)n1 ZINC000187590073 375050520 /nfs/dbraw/zinc/05/05/20/375050520.db2.gz BXEIWWJOAWCLPU-ZETCQYMHSA-N -1 1 298.314 3.328 20 0 CGADMM Cc1[nH]nc(C(C)C)c1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335222193 375241800 /nfs/dbraw/zinc/24/18/00/375241800.db2.gz XQRXFIMDYSBWME-UHFFFAOYSA-N -1 1 295.289 3.078 20 0 CGADMM Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335222193 375241801 /nfs/dbraw/zinc/24/18/01/375241801.db2.gz XQRXFIMDYSBWME-UHFFFAOYSA-N -1 1 295.289 3.078 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCCC(F)(F)C1 ZINC000335213711 375232710 /nfs/dbraw/zinc/23/27/10/375232710.db2.gz ARZVJVHVGNYLHN-SSDOTTSWSA-N -1 1 291.244 3.434 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335213554 375233110 /nfs/dbraw/zinc/23/31/10/375233110.db2.gz CYUCODWTQGOIPE-SFYZADRCSA-N -1 1 255.264 3.045 20 0 CGADMM CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)C(F)F ZINC000336197087 375758763 /nfs/dbraw/zinc/75/87/63/375758763.db2.gz LCOPKEVUXMBIOU-UHFFFAOYSA-N -1 1 263.671 3.275 20 0 CGADMM COc1ccc2nc(-c3c[nH]c4ccccc43)[n-]c(=O)c2c1 ZINC000130617947 542064083 /nfs/dbraw/zinc/06/40/83/542064083.db2.gz IPDVZKSOOKTADO-UHFFFAOYSA-N -1 1 291.310 3.080 20 0 CGADMM COC(=O)c1c[n-]c(SCc2cccc3cccnc32)n1 ZINC000193543769 375892536 /nfs/dbraw/zinc/89/25/36/375892536.db2.gz FTLARWSIKIGXTL-UHFFFAOYSA-N -1 1 299.355 3.037 20 0 CGADMM CO[C@H](C)c1nc(=NCC[C@H]2CCC[C@H](C)C2)s[n-]1 ZINC000336810391 375962668 /nfs/dbraw/zinc/96/26/68/375962668.db2.gz ZTUAYCAILKFZAH-QJPTWQEYSA-N -1 1 283.441 3.296 20 0 CGADMM CCC1CCC(CN=c2nc([C@@H](C)OC)[n-]s2)CC1 ZINC000336810344 375963696 /nfs/dbraw/zinc/96/36/96/375963696.db2.gz ZPWVQDLDABRDBI-VOMCLLRMSA-N -1 1 283.441 3.296 20 0 CGADMM C[C@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000132831131 542077213 /nfs/dbraw/zinc/07/72/13/542077213.db2.gz VCFQTTMYOFGSKE-VIFPVBQESA-N -1 1 298.180 3.027 20 0 CGADMM CCc1cc(=O)[n-]c(C[N@@H+](C)[C@@H](C)C2CCCCC2)n1 ZINC000338354171 376347210 /nfs/dbraw/zinc/34/72/10/376347210.db2.gz IDPWTAOXTXTASW-LBPRGKRZSA-N -1 1 277.412 3.145 20 0 CGADMM Cc1nc(SCc2nc3ccccc3o2)[n-]c(=O)c1C ZINC000540716081 376392978 /nfs/dbraw/zinc/39/29/78/376392978.db2.gz VZCZWEUTDJUILL-UHFFFAOYSA-N -1 1 287.344 3.233 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1ncoc1-c1ccccc1 ZINC000154098869 542115571 /nfs/dbraw/zinc/11/55/71/542115571.db2.gz AITDFCNTACBOQO-UHFFFAOYSA-N -1 1 297.314 3.453 20 0 CGADMM O=C([N-][C@H]1CCC[C@H]1c1ccccc1)C(F)(F)F ZINC000264692436 190129150 /nfs/dbraw/zinc/12/91/50/190129150.db2.gz HPFLEKALSNXXGR-QWRGUYRKSA-N -1 1 257.255 3.001 20 0 CGADMM C[C@H](OCc1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340329898 377005115 /nfs/dbraw/zinc/00/51/15/377005115.db2.gz NFUXZRYEYQQWLQ-NSHDSACASA-N -1 1 289.306 3.075 20 0 CGADMM C[C@H](Sc1ccccn1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340329712 377006054 /nfs/dbraw/zinc/00/60/54/377006054.db2.gz FVDODBIRWCMKCW-VIFPVBQESA-N -1 1 292.335 3.046 20 0 CGADMM Cc1cscc1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000094879073 249043159 /nfs/dbraw/zinc/04/31/59/249043159.db2.gz FNZJOVLSLHJRCK-UHFFFAOYSA-N -1 1 281.764 3.346 20 0 CGADMM CC1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2F)CC1 ZINC000165672053 542172674 /nfs/dbraw/zinc/17/26/74/542172674.db2.gz UTUSEHWQWGLKIO-UHFFFAOYSA-N -1 1 285.746 3.166 20 0 CGADMM CO[C@@H](C)c1nc(=NCC(C)(C)C2CCCC2)s[n-]1 ZINC000509550179 249178836 /nfs/dbraw/zinc/17/88/36/249178836.db2.gz WFNJLFLJVAJEQC-JTQLQIEISA-N -1 1 283.441 3.296 20 0 CGADMM CCOc1ccc(CN(C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000516975823 249252409 /nfs/dbraw/zinc/25/24/09/249252409.db2.gz IQBHMRVLIHOBGX-UHFFFAOYSA-N -1 1 289.331 3.009 20 0 CGADMM C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C)(C)C ZINC000343013962 377882930 /nfs/dbraw/zinc/88/29/30/377882930.db2.gz NXCOHRHNWNKJPZ-JTQLQIEISA-N -1 1 287.363 3.403 20 0 CGADMM O=C([O-])c1coc(CN2CCC[C@H]2c2ccsc2)c1 ZINC000578018884 378030219 /nfs/dbraw/zinc/03/02/19/378030219.db2.gz AELQIZOSFOVYFV-ZDUSSCGKSA-N -1 1 277.345 3.376 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000580310074 378240128 /nfs/dbraw/zinc/24/01/28/378240128.db2.gz GGCHWKSTEOUYBB-JHJVBQTASA-N -1 1 297.358 3.157 20 0 CGADMM CC(C)CO[N-]C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000269653157 378248907 /nfs/dbraw/zinc/24/89/07/378248907.db2.gz NFTXDEJGNVQSED-JTQLQIEISA-N -1 1 255.745 3.147 20 0 CGADMM C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1ncccc1O ZINC000583591252 378333957 /nfs/dbraw/zinc/33/39/57/378333957.db2.gz HQLOSSOBTZRZCS-UHFFFAOYSA-N -1 1 280.730 3.212 20 0 CGADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCC1 ZINC000271965401 378532259 /nfs/dbraw/zinc/53/22/59/378532259.db2.gz GUCOJDWEBCHZGS-UHFFFAOYSA-N -1 1 273.254 3.036 20 0 CGADMM CCCCN(CC(F)(F)F)C(=O)c1ccc([O-])cc1F ZINC000272248816 378596081 /nfs/dbraw/zinc/59/60/81/378596081.db2.gz OMNCZLBKRLFBKT-UHFFFAOYSA-N -1 1 293.260 3.336 20 0 CGADMM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cncc([O-])c1 ZINC000346601962 378640744 /nfs/dbraw/zinc/64/07/44/378640744.db2.gz LEXOBGZQGLRTNX-ZDUSSCGKSA-N -1 1 298.386 3.273 20 0 CGADMM CC1=CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000566359261 322117726 /nfs/dbraw/zinc/11/77/26/322117726.db2.gz FFAZDTDYSVVXEG-UHFFFAOYSA-N -1 1 265.740 3.190 20 0 CGADMM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(F)cc2[O-])CCO1 ZINC000272889396 378718865 /nfs/dbraw/zinc/71/88/65/378718865.db2.gz WONKGDXOJNYAGO-JQWIXIFHSA-N -1 1 281.327 3.065 20 0 CGADMM CCc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])o1 ZINC000277325769 379131507 /nfs/dbraw/zinc/13/15/07/379131507.db2.gz OAEIFPICOHSOMI-MLGOLLRUSA-N -1 1 287.359 3.394 20 0 CGADMM C[C@@H]1CC(=O)CC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000278212874 379320012 /nfs/dbraw/zinc/32/00/12/379320012.db2.gz QIVJAKLNEGBIHW-KCJUWKMLSA-N -1 1 290.294 3.054 20 0 CGADMM CS[C@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278221829 379321163 /nfs/dbraw/zinc/32/11/63/379321163.db2.gz QYJWJMLBLRCUOB-ZCFIWIBFSA-N -1 1 254.286 3.005 20 0 CGADMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccsc1 ZINC000349920881 379447868 /nfs/dbraw/zinc/44/78/68/379447868.db2.gz LBUPWZYVGAWACC-UHFFFAOYSA-N -1 1 279.386 3.038 20 0 CGADMM Cc1noc(C(C)C)c1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000279655359 379481744 /nfs/dbraw/zinc/48/17/44/379481744.db2.gz FAGLMPORKYOHGC-UHFFFAOYSA-N -1 1 295.726 3.113 20 0 CGADMM CO[C@H]1CCC[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000350566810 379561322 /nfs/dbraw/zinc/56/13/22/379561322.db2.gz QLCJDEVAKQTZCG-MNOVXSKESA-N -1 1 292.310 3.254 20 0 CGADMM [O-]c1ccc(-c2noc(Cc3cncs3)n2)c(Cl)c1 ZINC000350600962 379571848 /nfs/dbraw/zinc/57/18/48/379571848.db2.gz DTPQHLSVBBYJIK-UHFFFAOYSA-N -1 1 293.735 3.143 20 0 CGADMM CCN(CC(C)C)C(=O)N=c1[n-]sc2ccccc21 ZINC000640341662 379771065 /nfs/dbraw/zinc/77/10/65/379771065.db2.gz IIJNJLMZYZQOCH-UHFFFAOYSA-N -1 1 277.393 3.228 20 0 CGADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@@H]1CCCCO1 ZINC000379277152 379859842 /nfs/dbraw/zinc/85/98/42/379859842.db2.gz AQHKQPROQUSYGW-SJCJKPOMSA-N -1 1 299.370 3.233 20 0 CGADMM CCC(F)(F)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000641485005 380016088 /nfs/dbraw/zinc/01/60/88/380016088.db2.gz GZHOPAYJOMAFAL-UHFFFAOYSA-N -1 1 270.251 3.257 20 0 CGADMM CCOc1ccccc1CN(C)Cc1cccc(C(=O)[O-])c1 ZINC000414635549 380347639 /nfs/dbraw/zinc/34/76/39/380347639.db2.gz HKXTVNJHEMKRJI-UHFFFAOYSA-N -1 1 299.370 3.416 20 0 CGADMM CCc1ccc(-c2ccc(CN[C@@H](C(=O)[O-])C3CC3)o2)cc1 ZINC000417609818 380650621 /nfs/dbraw/zinc/65/06/21/380650621.db2.gz RMDZCJOWQKLUMH-QGZVFWFLSA-N -1 1 299.370 3.462 20 0 CGADMM Cc1ccoc1CN[C@H](CC1CCCCC1)C(=O)[O-] ZINC000417611211 380650637 /nfs/dbraw/zinc/65/06/37/380650637.db2.gz OOHHYOLLTYVNGX-CYBMUJFWSA-N -1 1 265.353 3.101 20 0 CGADMM CC(C)CC[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000280810015 194984302 /nfs/dbraw/zinc/98/43/02/194984302.db2.gz QMRYCMVTKPCUNP-VIFPVBQESA-N -1 1 271.307 3.225 20 0 CGADMM CC(C)(c1nc(-c2ccc([O-])cc2F)no1)C1CC1 ZINC000288960141 197200643 /nfs/dbraw/zinc/20/06/43/197200643.db2.gz CZDPHDMAZACPRO-UHFFFAOYSA-N -1 1 262.284 3.269 20 0 CGADMM COCc1nc(=N[C@@H](C)CCC2CCCCC2)s[n-]1 ZINC000426885128 533273439 /nfs/dbraw/zinc/27/34/39/533273439.db2.gz YPVWTIPNZQTFOR-NSHDSACASA-N -1 1 283.441 3.267 20 0 CGADMM CO[C@@H]1CCOc2c(NC(=O)c3ccccc3[O-])cccc21 ZINC000436807452 533423992 /nfs/dbraw/zinc/42/39/92/533423992.db2.gz LCPRVCGJZQJZKZ-OAHLLOKOSA-N -1 1 299.326 3.115 20 0 CGADMM C[C@H](C(=O)[N-]OC[C@H]1CCOC1)c1ccc2ccccc2c1 ZINC000191811004 130308116 /nfs/dbraw/zinc/30/81/16/130308116.db2.gz MMMOXYFMZKQSLZ-KBPBESRZSA-N -1 1 299.370 3.028 20 0 CGADMM COCCCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000058752067 392116266 /nfs/dbraw/zinc/11/62/66/392116266.db2.gz XMYXWVXFPLUNNA-UHFFFAOYSA-N -1 1 287.359 3.092 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])c2ccccc21 ZINC000175197593 392650027 /nfs/dbraw/zinc/65/00/27/392650027.db2.gz FNVUHHRFGGUKBN-SNVBAGLBSA-N -1 1 271.291 3.295 20 0 CGADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000177000221 392659510 /nfs/dbraw/zinc/65/95/10/392659510.db2.gz YDUYLGRZTHDRBA-NWDGAFQWSA-N -1 1 269.344 3.416 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)[C@@H]2CCC[C@H]21 ZINC000647497932 392740776 /nfs/dbraw/zinc/74/07/76/392740776.db2.gz CKBFEDMQBJBJJU-DGCLKSJQSA-N -1 1 277.339 3.182 20 0 CGADMM CCCC[C@H](C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000506260107 392719746 /nfs/dbraw/zinc/71/97/46/392719746.db2.gz OVSZHRDQYRISAE-JTQLQIEISA-N -1 1 277.393 3.325 20 0 CGADMM C[C@H]1CCN(Cc2cc(F)cc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000335444007 392793983 /nfs/dbraw/zinc/79/39/83/392793983.db2.gz OUKSENAJNUHRHR-ZANVPECISA-N -1 1 285.746 3.022 20 0 CGADMM CCCCC1CCC(c2cc([N-]S(C)(=O)=O)n[nH]2)CC1 ZINC000547495953 393123499 /nfs/dbraw/zinc/12/34/99/393123499.db2.gz XBSIQMFBQZCGQE-UHFFFAOYSA-N -1 1 299.440 3.245 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1sccc1-c1ccccc1 ZINC000646409156 393280748 /nfs/dbraw/zinc/28/07/48/393280748.db2.gz ASCQIDZHGOSDHT-UHFFFAOYSA-N -1 1 299.355 3.405 20 0 CGADMM Cc1cccc2c(=O)c(C(=O)N(C)[C@H]3CC[C@@H](C)C3)c[nH]c12 ZINC000430696651 393587535 /nfs/dbraw/zinc/58/75/35/393587535.db2.gz JXFTXANANQZAMU-YPMHNXCESA-N -1 1 298.386 3.097 20 0 CGADMM CC(C)Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445444361 393793964 /nfs/dbraw/zinc/79/39/64/393793964.db2.gz IXCROSHDVKMTCI-UHFFFAOYSA-N -1 1 252.701 3.294 20 0 CGADMM [O-]c1ccc(-c2noc(CCc3cccs3)n2)cc1F ZINC000445486432 393799924 /nfs/dbraw/zinc/79/99/24/393799924.db2.gz MSWNVXOPZFBSQY-UHFFFAOYSA-N -1 1 290.319 3.428 20 0 CGADMM CN(CC(C)(C)C)C(=O)c1ncc2ccccc2c1[O-] ZINC000667971305 542951747 /nfs/dbraw/zinc/95/17/47/542951747.db2.gz KDMJYYYLCUBHAQ-UHFFFAOYSA-N -1 1 272.348 3.059 20 0 CGADMM CC1(C)[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)c([O-])c3)C[C@@H]21 ZINC000670417984 543153835 /nfs/dbraw/zinc/15/38/35/543153835.db2.gz DVQKHORMRIMDJQ-PHIMTYICSA-N -1 1 299.292 3.139 20 0 CGADMM CC(=O)c1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1F ZINC000672115850 543196478 /nfs/dbraw/zinc/19/64/78/543196478.db2.gz UEPRBLXHVMRXQG-UHFFFAOYSA-N -1 1 291.253 3.125 20 0 CGADMM O=c1c2c([n-]n1Cc1cccc(Cl)c1)CCCC2 ZINC000109362806 397653713 /nfs/dbraw/zinc/65/37/13/397653713.db2.gz UARBNBJUOVOANL-LBPRGKRZSA-N -1 1 262.740 3.228 20 0 CGADMM CC(=O)[C@@H](C)CCCCC(=O)Nc1c([O-])cccc1F ZINC000676212006 543387058 /nfs/dbraw/zinc/38/70/58/543387058.db2.gz ZDEWPGWHFUUVMT-JTQLQIEISA-N -1 1 281.327 3.255 20 0 CGADMM Cc1scc(C(=O)Nc2c([O-])cccc2F)c1C ZINC000678630948 543547624 /nfs/dbraw/zinc/54/76/24/543547624.db2.gz PZOZONHBMRIHPS-UHFFFAOYSA-N -1 1 265.309 3.462 20 0 CGADMM Cc1ccc2c(c1)N(C(=O)c1cc(F)ccc1[O-])CCC2 ZINC000179560184 292331666 /nfs/dbraw/zinc/33/16/66/292331666.db2.gz ODTZMGUNGGCQMP-UHFFFAOYSA-N -1 1 285.318 3.433 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCc2ccc(Cl)cc21 ZINC000080022351 287062591 /nfs/dbraw/zinc/06/25/91/287062591.db2.gz KJTKNNCJJVZTIB-UHFFFAOYSA-N -1 1 291.709 3.388 20 0 CGADMM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc(F)cc1 ZINC000074842679 165094791 /nfs/dbraw/zinc/09/47/91/165094791.db2.gz XGRJMWQLDDRXIL-UHFFFAOYSA-N -1 1 290.319 3.108 20 0 CGADMM COc1ccc(-c2nc(-c3ccccc3C)no2)c([O-])c1 ZINC000109036882 287127299 /nfs/dbraw/zinc/12/72/99/287127299.db2.gz IAOFQIASECBYJG-UHFFFAOYSA-N -1 1 282.299 3.426 20 0 CGADMM COc1ccc(-c2nc(-c3ccsc3)no2)c([O-])c1 ZINC000109037399 287127659 /nfs/dbraw/zinc/12/76/59/287127659.db2.gz PFTAZEQNEUHWEJ-UHFFFAOYSA-N -1 1 274.301 3.179 20 0 CGADMM CSCCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000125868033 287252184 /nfs/dbraw/zinc/25/21/84/287252184.db2.gz BENFGUPYBSPQJG-UHFFFAOYSA-N -1 1 289.400 3.418 20 0 CGADMM C[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000044490204 287261427 /nfs/dbraw/zinc/26/14/27/287261427.db2.gz VXGOIFZOVZGLFJ-SECBINFHSA-N -1 1 298.180 3.169 20 0 CGADMM CCCCn1ncc(NC(=O)c2cc(F)ccc2[O-])c1C ZINC000127334788 287285881 /nfs/dbraw/zinc/28/58/81/287285881.db2.gz UAGDMKWZLTXOND-UHFFFAOYSA-N -1 1 291.326 3.089 20 0 CGADMM C[C@H]1CCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000128049548 287302176 /nfs/dbraw/zinc/30/21/76/287302176.db2.gz JLZAODTVZHKVHF-VIFPVBQESA-N -1 1 298.180 3.169 20 0 CGADMM CC[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@H](C)CO1 ZINC000403901151 416550834 /nfs/dbraw/zinc/55/08/34/416550834.db2.gz VKZJJHGMWFLRRB-TZMCWYRMSA-N -1 1 299.370 3.185 20 0 CGADMM CN(C(=O)c1ccc2ccccc2c1[O-])[C@H]1CCSC1 ZINC000037175504 260072616 /nfs/dbraw/zinc/07/26/16/260072616.db2.gz JTDADKPLSIOVLC-LBPRGKRZSA-N -1 1 287.384 3.123 20 0 CGADMM CC(C)COCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129579843 287335014 /nfs/dbraw/zinc/33/50/14/287335014.db2.gz ALRIRCLZAINBIK-UHFFFAOYSA-N -1 1 271.744 3.047 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H]1F ZINC000679260631 543610230 /nfs/dbraw/zinc/61/02/30/543610230.db2.gz ZKVGJRUYZXVZIE-NHYWBVRUSA-N -1 1 287.334 3.366 20 0 CGADMM C[C@@H](C(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000680218095 543692000 /nfs/dbraw/zinc/69/20/00/543692000.db2.gz WMHGBSGNWDVVBL-SNVBAGLBSA-N -1 1 259.280 3.274 20 0 CGADMM C[C@H]1Cc2ccccc2N1C(=O)c1ccc([O-])c(F)c1 ZINC000681014954 543756607 /nfs/dbraw/zinc/75/66/07/543756607.db2.gz ULQUBIWYIZGQAK-JTQLQIEISA-N -1 1 271.291 3.123 20 0 CGADMM C[C@H](CNC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000681015991 543756720 /nfs/dbraw/zinc/75/67/20/543756720.db2.gz KDJQUZGGSJRYEQ-LLVKDONJSA-N -1 1 273.307 3.065 20 0 CGADMM Cc1cccc(CN(C)C(=O)c2ccc([O-])c(F)c2)c1 ZINC000681017389 543757300 /nfs/dbraw/zinc/75/73/00/543757300.db2.gz VKNDNYIXTCWWAP-UHFFFAOYSA-N -1 1 273.307 3.112 20 0 CGADMM COc1cccc([C@@H](C)NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681017388 543757540 /nfs/dbraw/zinc/75/75/40/543757540.db2.gz VJZFVKWAOBPBEE-SNVBAGLBSA-N -1 1 289.306 3.031 20 0 CGADMM O=C(NCc1coc2ccccc12)c1ccc([O-])c(F)c1 ZINC000681046995 543760316 /nfs/dbraw/zinc/76/03/16/543760316.db2.gz RWFUKCQZQYBPDN-UHFFFAOYSA-N -1 1 285.274 3.208 20 0 CGADMM O=C(NC[C@H]1CCc2ccccc2C1)c1ccc([O-])c(F)c1 ZINC000681046876 543760331 /nfs/dbraw/zinc/76/03/31/543760331.db2.gz FBTXVMDJETUCSX-LBPRGKRZSA-N -1 1 299.345 3.066 20 0 CGADMM CCC1(CC)CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681054866 543761186 /nfs/dbraw/zinc/76/11/86/543761186.db2.gz ZANPXQGIHUSABT-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM CC1(C)CCCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681055235 543762036 /nfs/dbraw/zinc/76/20/36/543762036.db2.gz ANFGJWCQNSGPOT-CYBMUJFWSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1ccc([C@@H]2CCN(C(=O)c3ccc([O-])c(F)c3)C2)cc1 ZINC000681070196 543763150 /nfs/dbraw/zinc/76/31/50/543763150.db2.gz QJROTKLUVUUXBX-OAHLLOKOSA-N -1 1 299.345 3.469 20 0 CGADMM CCC[C@H](C)c1cc(NC(=O)c2ccc([O-])c(F)c2)n[nH]1 ZINC000681089323 543764149 /nfs/dbraw/zinc/76/41/49/543764149.db2.gz AQLGZBGVEOHALR-VIFPVBQESA-N -1 1 291.326 3.410 20 0 CGADMM O=C(NCc1ccc2ncccc2c1)c1ccc([O-])c(F)c1 ZINC000684351875 543983731 /nfs/dbraw/zinc/98/37/31/543983731.db2.gz WELKYENUSTZMDO-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000684875596 544035126 /nfs/dbraw/zinc/03/51/26/544035126.db2.gz KNDSWUSDABVWNN-QWRGUYRKSA-N -1 1 299.292 3.283 20 0 CGADMM Cc1ccncc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874242 544035170 /nfs/dbraw/zinc/03/51/70/544035170.db2.gz RXYXGDNQPANXNM-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM Cc1cscc1-c1nc2ccc(C)cc2c(=O)[n-]1 ZINC000132830660 287411565 /nfs/dbraw/zinc/41/15/65/287411565.db2.gz FBEMROIHRZTMPM-UHFFFAOYSA-N -1 1 256.330 3.268 20 0 CGADMM O=C([O-])[C@H](c1ccccc1F)N1CCc2sccc2C1 ZINC000652385251 418960602 /nfs/dbraw/zinc/96/06/02/418960602.db2.gz RXWZXTNMKXRKPY-AWEZNQCLSA-N -1 1 291.347 3.071 20 0 CGADMM Cc1oc([C@@H](C)N2CCc3ccsc3C2)cc1C(=O)[O-] ZINC000652416279 418964358 /nfs/dbraw/zinc/96/43/58/418964358.db2.gz YRHFTWDOSFRXKA-SECBINFHSA-N -1 1 291.372 3.467 20 0 CGADMM CO[C@@H](c1nc(-c2ccc([O-])cc2F)no1)C1CCC1 ZINC000664850892 419013964 /nfs/dbraw/zinc/01/39/64/419013964.db2.gz XZWODXKBYDSVID-GFCCVEGCSA-N -1 1 278.283 3.069 20 0 CGADMM CC1(C)CC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000664850906 419014386 /nfs/dbraw/zinc/01/43/86/419014386.db2.gz YIMUZLUPTWFZLR-SECBINFHSA-N -1 1 262.284 3.485 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@H]2CC2CCCC2)c([O-])c1 ZINC000655363988 419043614 /nfs/dbraw/zinc/04/36/14/419043614.db2.gz XGDHSOOTVWCMRZ-AWEZNQCLSA-N -1 1 288.391 3.281 20 0 CGADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1ccc([O-])c(F)c1 ZINC000653956873 419118642 /nfs/dbraw/zinc/11/86/42/419118642.db2.gz SUWLTAGCGHUIFL-IUODEOHRSA-N -1 1 279.355 3.284 20 0 CGADMM O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1ccc([O-])c(F)c1 ZINC000665639622 419143467 /nfs/dbraw/zinc/14/34/67/419143467.db2.gz VFLGESCSIPFDKO-CHWSQXEVSA-N -1 1 277.339 3.087 20 0 CGADMM CC1(C)CC[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000666314619 419207811 /nfs/dbraw/zinc/20/78/11/419207811.db2.gz VFHJEOVNCPBTGT-GFCCVEGCSA-N -1 1 285.347 3.157 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CCc2ccc(C)cc2C1 ZINC000656759075 419211553 /nfs/dbraw/zinc/21/15/53/419211553.db2.gz VZXALWJOLOUQEL-UHFFFAOYSA-N -1 1 285.343 3.153 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000656764487 419212579 /nfs/dbraw/zinc/21/25/79/419212579.db2.gz BKUWWNFBGFROGI-MNOVXSKESA-N -1 1 297.782 3.038 20 0 CGADMM O=C([O-])[C@@H]1C[C@H]1c1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 ZINC000657202964 419230937 /nfs/dbraw/zinc/23/09/37/419230937.db2.gz MIAOTIXXBDEVOH-VHSXEESVSA-N -1 1 296.248 3.284 20 0 CGADMM O=c1cc(C(F)F)nc(SCC2CC=CC2)[n-]1 ZINC000657259957 419238336 /nfs/dbraw/zinc/23/83/36/419238336.db2.gz OOEDVPFEAHAJGS-UHFFFAOYSA-N -1 1 258.293 3.178 20 0 CGADMM CC[C@@H](CSc1ncc(C)c(=O)[n-]1)CC(F)F ZINC000657261929 419239292 /nfs/dbraw/zinc/23/92/92/419239292.db2.gz YRUKANKWTZBGJQ-MRVPVSSYSA-N -1 1 262.325 3.264 20 0 CGADMM CCc1nc(SCc2cccnc2C)[n-]c(=O)c1C ZINC000657263771 419240267 /nfs/dbraw/zinc/24/02/67/419240267.db2.gz GVGWUKVJGQYTIT-UHFFFAOYSA-N -1 1 275.377 3.049 20 0 CGADMM CSc1ccc([O-])c(-c2nc([C@H]3C[C@@H]3C)no2)c1 ZINC000663307947 419546273 /nfs/dbraw/zinc/54/62/73/419546273.db2.gz ITBZGEGIRHNVDE-CBAPKCEASA-N -1 1 262.334 3.288 20 0 CGADMM C[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000186460008 262315503 /nfs/dbraw/zinc/31/55/03/262315503.db2.gz FDNCVCNHTHRQCE-SNVBAGLBSA-N -1 1 267.756 3.308 20 0 CGADMM C[C@@H](CCc1ccco1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000042306573 270031997 /nfs/dbraw/zinc/03/19/97/270031997.db2.gz VIUPIPPVSFZKKR-JTQLQIEISA-N -1 1 293.750 3.390 20 0 CGADMM Cc1nn(C)c(NC(=O)c2ccc3ccccc3c2[O-])c1C ZINC000106717863 270049421 /nfs/dbraw/zinc/04/94/21/270049421.db2.gz UNOJKAMDSPQULG-UHFFFAOYSA-N -1 1 295.342 3.148 20 0 CGADMM CO[C@H](C)c1nc(=NCC(C2CCC2)C2CCC2)s[n-]1 ZINC000528073499 270153516 /nfs/dbraw/zinc/15/35/16/270153516.db2.gz CYUSRUFDUXQGCT-SNVBAGLBSA-N -1 1 295.452 3.296 20 0 CGADMM Cn1c(C(=O)Nc2ccc(F)cc2[O-])cc2ccccc21 ZINC000531755764 270209566 /nfs/dbraw/zinc/20/95/66/270209566.db2.gz NHZPRXOWTWMLKS-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM CS(=O)(=O)[N-]c1ccccc1Oc1cc(F)cc(F)c1 ZINC000532092968 270213777 /nfs/dbraw/zinc/21/37/77/270213777.db2.gz ZFHDALMXRMGLDT-UHFFFAOYSA-N -1 1 299.298 3.129 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000494891877 279007935 /nfs/dbraw/zinc/00/79/35/279007935.db2.gz QXPXHCMZXURCBX-CQSZACIVSA-N -1 1 282.343 3.073 20 0 CGADMM C[C@]1(CC(=O)Nc2cccc(F)c2[O-])CC1(Cl)Cl ZINC000530003793 288280512 /nfs/dbraw/zinc/28/05/12/288280512.db2.gz DGZLTTAMCFSSDI-NSHDSACASA-N -1 1 292.137 3.444 20 0 CGADMM Cc1nc(CCCC(=O)Nc2cccc(F)c2[O-])cs1 ZINC000530005204 288281425 /nfs/dbraw/zinc/28/14/25/288281425.db2.gz IPRDGIXWWHDZGI-UHFFFAOYSA-N -1 1 294.351 3.258 20 0 CGADMM O=C(CCCC1CCOCC1)Nc1cccc(F)c1[O-] ZINC000530007167 288282461 /nfs/dbraw/zinc/28/24/61/288282461.db2.gz ZDMMCYPBOYWNOF-UHFFFAOYSA-N -1 1 281.327 3.067 20 0 CGADMM C[C@H](CN(C)Cc1nc(C(=O)[O-])co1)C1CCCCC1 ZINC000530172628 288292289 /nfs/dbraw/zinc/29/22/89/288292289.db2.gz KAEMRCFPKUKCFR-LLVKDONJSA-N -1 1 280.368 3.021 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000531526940 288337173 /nfs/dbraw/zinc/33/71/73/288337173.db2.gz BZLBEABZNWAXCC-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCCCCF)n1 ZINC000551364906 289113515 /nfs/dbraw/zinc/11/35/15/289113515.db2.gz FAFVTZOYPJHYMG-UHFFFAOYSA-N -1 1 258.362 3.367 20 0 CGADMM Cc1ccc(C(=O)C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000560820877 289617130 /nfs/dbraw/zinc/61/71/30/289617130.db2.gz WVVREHKWENWASQ-UHFFFAOYSA-N -1 1 289.718 3.175 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CC[C@H]3CCCC[C@H]3C2)s[n-]1 ZINC000509640464 294343658 /nfs/dbraw/zinc/34/36/58/294343658.db2.gz PBRMSSUMWAJCAU-FVCCEPFGSA-N -1 1 295.452 3.438 20 0 CGADMM C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc([O-])cc1F ZINC000181223166 300453449 /nfs/dbraw/zinc/45/34/49/300453449.db2.gz VHRWUWLRXVVWRI-PGUXBMHVSA-N -1 1 277.339 3.325 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000580310076 327779558 /nfs/dbraw/zinc/77/95/58/327779558.db2.gz GGCHWKSTEOUYBB-XQQFMLRXSA-N -1 1 297.358 3.157 20 0 CGADMM O=c1cc(C2CC2)nc(SCCCCCF)[n-]1 ZINC000582077553 327834497 /nfs/dbraw/zinc/83/44/97/327834497.db2.gz OIBXZUJOQGYFDG-UHFFFAOYSA-N -1 1 256.346 3.292 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(Cl)cn1 ZINC000153630278 321723760 /nfs/dbraw/zinc/72/37/60/321723760.db2.gz MLXCIOTUADCLGV-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM COc1ccc(S(=O)(=O)[N-]c2cscc2C)cc1C ZINC000161599249 321870544 /nfs/dbraw/zinc/87/05/44/321870544.db2.gz XMZQPFCAQGSGJM-UHFFFAOYSA-N -1 1 297.401 3.174 20 0 CGADMM CCc1nc(SCc2nc(C)cs2)[n-]c(=O)c1C ZINC000565785880 322091555 /nfs/dbraw/zinc/09/15/55/322091555.db2.gz FIYMJDPOPQNNFZ-UHFFFAOYSA-N -1 1 281.406 3.110 20 0 CGADMM Cc1cc(CN2CCc3ccccc3[C@@H]2C)oc1C(=O)[O-] ZINC000568772169 322222154 /nfs/dbraw/zinc/22/21/54/322222154.db2.gz OFKIUBXYTLKONP-LBPRGKRZSA-N -1 1 285.343 3.406 20 0 CGADMM CC(C)CO[C@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000568829625 322224063 /nfs/dbraw/zinc/22/40/63/322224063.db2.gz MZUOMXGHKMVVCE-SECBINFHSA-N -1 1 280.299 3.315 20 0 CGADMM Cc1ccc2c(c1)CN(Cc1ccccc1C(=O)[O-])CCO2 ZINC000584125102 327046896 /nfs/dbraw/zinc/04/68/96/327046896.db2.gz FDRJARMKQZHMRY-UHFFFAOYSA-N -1 1 297.354 3.088 20 0 CGADMM CCCCc1nc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cs1 ZINC000584231923 327071048 /nfs/dbraw/zinc/07/10/48/327071048.db2.gz WQPYNAISUITKOG-YPMHNXCESA-N -1 1 296.436 3.028 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1Cc2ccccc2C[C@H]1C ZINC000582127972 327352758 /nfs/dbraw/zinc/35/27/58/327352758.db2.gz RJURFLGOCLZKSN-LLVKDONJSA-N -1 1 285.343 3.233 20 0 CGADMM Cc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)oc1C(=O)[O-] ZINC000582670963 329122685 /nfs/dbraw/zinc/12/26/85/329122685.db2.gz DCFWGROZOUXSCI-CHWSQXEVSA-N -1 1 295.404 3.146 20 0 CGADMM O=c1cc(C(F)F)nc(SCC2CCCC2)[n-]1 ZINC000582814524 329236865 /nfs/dbraw/zinc/23/68/65/329236865.db2.gz XOLHZYOCIFTCQF-UHFFFAOYSA-N -1 1 260.309 3.402 20 0 CGADMM Cc1oc(-c2cccs2)nc1CN(C)[C@H](C)CC(=O)[O-] ZINC000577125953 335305259 /nfs/dbraw/zinc/30/52/59/335305259.db2.gz VEDNOEYDHYVTEL-SECBINFHSA-N -1 1 294.376 3.007 20 0 CGADMM Cc1oc(-c2ccsc2)nc1CN(C)[C@@H](C)CC(=O)[O-] ZINC000577508550 335362066 /nfs/dbraw/zinc/36/20/66/335362066.db2.gz JORBYYXDGDOZAX-VIFPVBQESA-N -1 1 294.376 3.007 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H]2CCC3(CCCC3)O2)n1 ZINC000581229308 336028041 /nfs/dbraw/zinc/02/80/41/336028041.db2.gz IMANQMWECHINED-GFCCVEGCSA-N -1 1 294.420 3.329 20 0 CGADMM Cc1cc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)ccc1Cl ZINC000581416679 336073308 /nfs/dbraw/zinc/07/33/08/336073308.db2.gz KDTVGTMYZNLTGC-LBPRGKRZSA-N -1 1 281.783 3.335 20 0 CGADMM CC(C)(C)C(C)(C)N=c1nc(C(F)(F)F)[n-]s1 ZINC000383653089 336116073 /nfs/dbraw/zinc/11/60/73/336116073.db2.gz HTJRVDIVPNXEQN-UHFFFAOYSA-N -1 1 267.320 3.215 20 0 CGADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(F)c1F ZINC000436966578 533747335 /nfs/dbraw/zinc/74/73/35/533747335.db2.gz VXGDUFVKGJLNJP-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM Cc1cc(F)ccc1CN(C)C(=O)c1ccc([O-])cc1F ZINC000436736134 533875303 /nfs/dbraw/zinc/87/53/03/533875303.db2.gz IFPGEIIXIOLRSM-UHFFFAOYSA-N -1 1 291.297 3.251 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)C(C)(C)C)c1 ZINC000436726579 534230549 /nfs/dbraw/zinc/23/05/49/534230549.db2.gz VEEDUMYIVDNRKF-UHFFFAOYSA-N -1 1 293.363 3.190 20 0 CGADMM O=C(Nc1ccccc1O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436753438 534398955 /nfs/dbraw/zinc/39/89/55/534398955.db2.gz UMXCYJBCCXGFIC-UHFFFAOYSA-N -1 1 297.232 3.369 20 0 CGADMM Cc1nsc(C)c1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000436785804 534497324 /nfs/dbraw/zinc/49/73/24/534497324.db2.gz AUPUXXOIJLVNID-UHFFFAOYSA-N -1 1 291.307 3.322 20 0 CGADMM O=C([O-])[C@H](NCc1cccc2cc[nH]c21)c1cccs1 ZINC000426818858 534530985 /nfs/dbraw/zinc/53/09/85/534530985.db2.gz SSXFTPGUCKLBGP-CQSZACIVSA-N -1 1 286.356 3.145 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](C2CC2)C1 ZINC000368225018 534660021 /nfs/dbraw/zinc/66/00/21/534660021.db2.gz LPZCQPAOANLNOS-LLVKDONJSA-N -1 1 279.767 3.308 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N(CC(F)F)CC1CCC1 ZINC000436611022 534668237 /nfs/dbraw/zinc/66/82/37/534668237.db2.gz YHVHNUKTEXCCMX-UHFFFAOYSA-N -1 1 287.281 3.039 20 0 CGADMM C[C@H](c1ccco1)N(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000094038367 526138454 /nfs/dbraw/zinc/13/84/54/526138454.db2.gz SVCHQGLJNOGUKP-SNVBAGLBSA-N -1 1 289.306 3.490 20 0 CGADMM O=C(CC[C@@H]1CCCCO1)Nc1ccc([O-])c(Cl)c1 ZINC000082192997 526552305 /nfs/dbraw/zinc/55/23/05/526552305.db2.gz BSVIZDHMQMEODX-NSHDSACASA-N -1 1 283.755 3.333 20 0 CGADMM CC(=O)[C@H](Sc1nc(C)c(C)c(=O)[n-]1)c1ccccc1 ZINC000413001013 527150795 /nfs/dbraw/zinc/15/07/95/527150795.db2.gz OWGAWTVVTCCQIU-ZDUSSCGKSA-N -1 1 288.372 3.221 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@H](C)C(F)(F)F)n1 ZINC000439046093 528613609 /nfs/dbraw/zinc/61/36/09/528613609.db2.gz VXHUXIBJWJJKQR-ZETCQYMHSA-N -1 1 280.315 3.425 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cnccc2C)n1 ZINC000436116761 528614071 /nfs/dbraw/zinc/61/40/71/528614071.db2.gz VCUSITROWKCTPZ-UHFFFAOYSA-N -1 1 275.377 3.130 20 0 CGADMM CCCc1nnc([N-]C(=O)c2cc(C(C)(C)C)on2)s1 ZINC000152645076 528775440 /nfs/dbraw/zinc/77/54/40/528775440.db2.gz ANTJCLCVBJKOBC-UHFFFAOYSA-N -1 1 294.380 3.028 20 0 CGADMM CC[C@H](C)[C@@H](OC)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436881600 529227763 /nfs/dbraw/zinc/22/77/63/529227763.db2.gz XMHXLMWSXYUOHK-QPUJVOFHSA-N -1 1 280.299 3.315 20 0 CGADMM CCSc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000172106350 529256801 /nfs/dbraw/zinc/25/68/01/529256801.db2.gz DCLIIHXWENXKAL-UHFFFAOYSA-N -1 1 289.356 3.462 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc(C(C)=O)cc2)n1 ZINC000450913995 536154383 /nfs/dbraw/zinc/15/43/83/536154383.db2.gz WKCWRLCHLCNICE-UHFFFAOYSA-N -1 1 288.372 3.240 20 0 CGADMM C[C@H](c1ccc(Cl)cc1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737718837 572368293 /nfs/dbraw/zinc/36/82/93/572368293.db2.gz AMJBRKLDGSFCOT-LLVKDONJSA-N -1 1 296.798 3.475 20 0 CGADMM O=C([O-])c1ccoc1CN1CCCC[C@@H]1c1ccco1 ZINC000740248565 572437883 /nfs/dbraw/zinc/43/78/83/572437883.db2.gz FCTBAUVNFJERLT-GFCCVEGCSA-N -1 1 275.304 3.298 20 0 CGADMM Cc1ccc(C2=CCN(C(=O)c3cncc([O-])c3)CC2)cc1 ZINC000732258692 572455239 /nfs/dbraw/zinc/45/52/39/572455239.db2.gz FZJNHZHBAMZDQZ-UHFFFAOYSA-N -1 1 294.354 3.025 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](c2ccco2)C1 ZINC000732292524 572459023 /nfs/dbraw/zinc/45/90/23/572459023.db2.gz YKCIVRGZPIGNFM-JTQLQIEISA-N -1 1 291.734 3.268 20 0 CGADMM CS[C@@H]1CC[C@@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000743728659 572680526 /nfs/dbraw/zinc/68/05/26/572680526.db2.gz NSWPMBJVJDKDGT-RKDXNWHRSA-N -1 1 285.796 3.060 20 0 CGADMM CC[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)CCS1 ZINC000743800694 572684367 /nfs/dbraw/zinc/68/43/67/572684367.db2.gz GOSBKLBMWPIDIT-SECBINFHSA-N -1 1 285.796 3.013 20 0 CGADMM C[C@]1(NCc2cc(C(=O)[O-])co2)CCCc2ccccc21 ZINC000736738236 572807287 /nfs/dbraw/zinc/80/72/87/572807287.db2.gz IKMOXUMIBPOLCD-KRWDZBQOSA-N -1 1 285.343 3.319 20 0 CGADMM O=C(OC[C@@H]1CC1(Cl)Cl)c1c([O-])cc(F)cc1F ZINC000749278794 572991502 /nfs/dbraw/zinc/99/15/02/572991502.db2.gz MOBKHVXJGVBNML-YFKPBYRVSA-N -1 1 297.084 3.021 20 0 CGADMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000749616164 573023962 /nfs/dbraw/zinc/02/39/62/573023962.db2.gz AKNMWPSOTLIZGQ-HZSPNIEDSA-N -1 1 295.766 3.018 20 0 CGADMM Cc1ccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC000737318334 599414940 /nfs/dbraw/zinc/41/49/40/599414940.db2.gz AEDQNJVVZYJHAX-LBPRGKRZSA-N -1 1 294.362 3.052 20 0 CGADMM Cc1ccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC000737318334 599414942 /nfs/dbraw/zinc/41/49/42/599414942.db2.gz AEDQNJVVZYJHAX-LBPRGKRZSA-N -1 1 294.362 3.052 20 0 CGADMM CC[C@H](C(=O)[O-])N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000262358945 599790185 /nfs/dbraw/zinc/79/01/85/599790185.db2.gz IHRATZXOZSFSPN-LLVKDONJSA-N -1 1 288.174 3.215 20 0 CGADMM CCC[C@@](C)(NCc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000036807909 600155426 /nfs/dbraw/zinc/15/54/26/600155426.db2.gz VSPINADHBCENLJ-MRXNPFEDSA-N -1 1 288.347 3.075 20 0 CGADMM Cc1ccc(Cl)c(Oc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826288920 607894965 /nfs/dbraw/zinc/89/49/65/607894965.db2.gz BXNRIFBJXKZDKC-UHFFFAOYSA-N -1 1 287.710 3.016 20 0 CGADMM Cc1ccc(Cl)c(Oc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826288920 607894966 /nfs/dbraw/zinc/89/49/66/607894966.db2.gz BXNRIFBJXKZDKC-UHFFFAOYSA-N -1 1 287.710 3.016 20 0 CGADMM CCCCN(CC)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829389367 601112477 /nfs/dbraw/zinc/11/24/77/601112477.db2.gz HXWXGQVFXUDDLU-GFCCVEGCSA-N -1 1 294.395 3.023 20 0 CGADMM Cn1cccc1[C@@H]1CCCCN1Cc1occc1C(=O)[O-] ZINC000833059291 601117657 /nfs/dbraw/zinc/11/76/57/601117657.db2.gz NCOWMCJOZULCMS-AWEZNQCLSA-N -1 1 288.347 3.044 20 0 CGADMM Cc1cccc(CSCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826298088 607532761 /nfs/dbraw/zinc/53/27/61/607532761.db2.gz CZPMBRIHGNQKEN-UHFFFAOYSA-N -1 1 297.387 3.004 20 0 CGADMM Cc1cccc(CSCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826298088 607532763 /nfs/dbraw/zinc/53/27/63/607532763.db2.gz CZPMBRIHGNQKEN-UHFFFAOYSA-N -1 1 297.387 3.004 20 0 CGADMM O=C([O-])N[C@H](CNCc1ccc(Cl)o1)c1ccccc1 ZINC000832142153 603176639 /nfs/dbraw/zinc/17/66/39/603176639.db2.gz ZOYXMYKJAOEEHE-GFCCVEGCSA-N -1 1 294.738 3.032 20 0 CGADMM Cc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)[O-])o1)CC2 ZINC000832962473 604331232 /nfs/dbraw/zinc/33/12/32/604331232.db2.gz YHDCDIVKDWGUJR-AWEZNQCLSA-N -1 1 271.316 3.063 20 0 CGADMM CCc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000086725184 604574896 /nfs/dbraw/zinc/57/48/96/604574896.db2.gz AWKWEZLMDFJAAZ-UHFFFAOYSA-N -1 1 273.332 3.172 20 0 CGADMM C[C@H](c1ccncc1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000383991424 604718672 /nfs/dbraw/zinc/71/86/72/604718672.db2.gz UVWRNWMXXWQGBL-LLVKDONJSA-N -1 1 288.322 3.112 20 0 CGADMM C[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000231028742 605842814 /nfs/dbraw/zinc/84/28/14/605842814.db2.gz JOAFDAKSPAMKGB-LLVKDONJSA-N -1 1 273.307 3.375 20 0 CGADMM CC[C@@H](C)CSc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820870681 606799411 /nfs/dbraw/zinc/79/94/11/606799411.db2.gz XEOVNSZQKTUXQI-SSDOTTSWSA-N -1 1 283.788 3.053 20 0 CGADMM CC[C@@H](C)CSc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820870681 606799412 /nfs/dbraw/zinc/79/94/12/606799412.db2.gz XEOVNSZQKTUXQI-SSDOTTSWSA-N -1 1 283.788 3.053 20 0 CGADMM CC[C@@H]1CCCC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858345960 617617430 /nfs/dbraw/zinc/61/74/30/617617430.db2.gz DGNXEXIGFPKUTA-RKDXNWHRSA-N -1 1 255.749 3.216 20 0 CGADMM CCc1ccc([C@@H](C)NCc2cccc(C(=O)[O-])n2)cc1 ZINC000234150716 618006525 /nfs/dbraw/zinc/00/65/25/618006525.db2.gz HSPBHWKXOMDVLH-GFCCVEGCSA-N -1 1 284.359 3.193 20 0 CGADMM Cc1ccc(CNC(=O)c2c([O-])cccc2Cl)s1 ZINC000049090567 618058312 /nfs/dbraw/zinc/05/83/12/618058312.db2.gz DOLFFVWOSUNJFK-UHFFFAOYSA-N -1 1 281.764 3.346 20 0 CGADMM C[C@@]1(C(=O)Nc2ccc([O-])c(Cl)c2)C=CCC1 ZINC000935021260 618719674 /nfs/dbraw/zinc/71/96/74/618719674.db2.gz UOTXIHSXNVXKJQ-CYBMUJFWSA-N -1 1 251.713 3.340 20 0 CGADMM CC(C)c1ocnc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000072505135 625294420 /nfs/dbraw/zinc/29/44/20/625294420.db2.gz LKXDCANDRCMAIX-UHFFFAOYSA-N -1 1 284.237 3.468 20 0 CGADMM CC(C)[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccn1 ZINC000094158745 619235541 /nfs/dbraw/zinc/23/55/41/619235541.db2.gz PJFYZZRGVJNHDC-HNNXBMFYSA-N -1 1 288.322 3.053 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCCCCC1 ZINC000895428752 619824614 /nfs/dbraw/zinc/82/46/14/619824614.db2.gz WFGBLQVDHRKUPG-UHFFFAOYSA-N -1 1 285.343 3.267 20 0 CGADMM CC[C@H](C)CN(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896291078 619989675 /nfs/dbraw/zinc/98/96/75/619989675.db2.gz VNLPOSSVCWOQAO-NSHDSACASA-N -1 1 287.359 3.369 20 0 CGADMM Cc1ccc2c(c1C)OC[C@H]2NCc1cccc(C(=O)[O-])c1 ZINC000263513212 620323956 /nfs/dbraw/zinc/32/39/56/620323956.db2.gz ZMKTXCVUFBDYIN-MRXNPFEDSA-N -1 1 297.354 3.225 20 0 CGADMM Cc1ccc2c(c1C)OC[C@@H]2NCc1cccc(C(=O)[O-])c1 ZINC000263513211 620324123 /nfs/dbraw/zinc/32/41/23/620324123.db2.gz ZMKTXCVUFBDYIN-INIZCTEOSA-N -1 1 297.354 3.225 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)C1CCC(F)(F)CC1 ZINC000898574263 620597054 /nfs/dbraw/zinc/59/70/54/620597054.db2.gz KUMKUCXVJSWZLR-UHFFFAOYSA-N -1 1 273.254 3.061 20 0 CGADMM CC(C)(C)c1cnc(CN(CCC(=O)[O-])CC2CC2)s1 ZINC000901613500 620953708 /nfs/dbraw/zinc/95/37/08/620953708.db2.gz BKMMPPRZVJMUCU-UHFFFAOYSA-N -1 1 296.436 3.127 20 0 CGADMM CC[C@@H](C)C[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000901673368 620964605 /nfs/dbraw/zinc/96/46/05/620964605.db2.gz MLQQCBUHJLXVNQ-BXUZGUMPSA-N -1 1 275.348 3.412 20 0 CGADMM O=C([O-])[C@H](CC1CC1)N[C@H](CCc1ccccc1)C(F)F ZINC000901786230 621018961 /nfs/dbraw/zinc/01/89/61/621018961.db2.gz JCJOFVQEOWEQRM-KGLIPLIRSA-N -1 1 297.345 3.096 20 0 CGADMM O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NCc1ccco1 ZINC000901848377 621051185 /nfs/dbraw/zinc/05/11/85/621051185.db2.gz QVOQYZPBMVQOKS-WMLDXEAASA-N -1 1 299.370 3.333 20 0 CGADMM Cc1cc(CNCc2cccc3c2CCC3)oc1C(=O)[O-] ZINC000901940319 621071304 /nfs/dbraw/zinc/07/13/04/621071304.db2.gz VDQDFULGEYMLEU-UHFFFAOYSA-N -1 1 285.343 3.065 20 0 CGADMM CCc1cccc2cc(CN(CC(=O)[O-])C(C)C)oc21 ZINC000901975271 621086011 /nfs/dbraw/zinc/08/60/11/621086011.db2.gz DDHCUMVQRZQITG-UHFFFAOYSA-N -1 1 275.348 3.290 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CNCc2csc(C(=O)[O-])c2)o1 ZINC000902108850 621138710 /nfs/dbraw/zinc/13/87/10/621138710.db2.gz LXVLGXYXQHNWDV-SKDRFNHKSA-N -1 1 291.372 3.453 20 0 CGADMM CC[C@@H]1C[C@H]1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000902207007 621194467 /nfs/dbraw/zinc/19/44/67/621194467.db2.gz KUWXDEFSHFYGHV-MNOVXSKESA-N -1 1 294.420 3.202 20 0 CGADMM CC[C@H](NCc1cc(C(=O)[O-])cs1)c1nc(C)cs1 ZINC000902228488 621202086 /nfs/dbraw/zinc/20/20/86/621202086.db2.gz LTKFJQFSLLWRKF-NSHDSACASA-N -1 1 296.417 3.452 20 0 CGADMM CC(C)(CCN1Cc2cccc(Cl)c2C1)C(=O)[O-] ZINC000902261023 621214078 /nfs/dbraw/zinc/21/40/78/621214078.db2.gz HLZQJDVZDVIQQA-UHFFFAOYSA-N -1 1 267.756 3.157 20 0 CGADMM O=C([O-])c1csc(CN2CC(Cc3ccsc3)C2)c1 ZINC000902462554 621337199 /nfs/dbraw/zinc/33/71/99/621337199.db2.gz GQRMLOAOJVLDFI-UHFFFAOYSA-N -1 1 293.413 3.182 20 0 CGADMM C[C@H](COCC1CCCCC1)NCc1cc(C(=O)[O-])co1 ZINC000902572637 621376966 /nfs/dbraw/zinc/37/69/66/621376966.db2.gz PJDJLCFAUFTNLC-GFCCVEGCSA-N -1 1 295.379 3.053 20 0 CGADMM Cc1coc(CN[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000904011594 621854962 /nfs/dbraw/zinc/85/49/62/621854962.db2.gz AKWCQJFHHYJXLW-OAHLLOKOSA-N -1 1 273.332 3.284 20 0 CGADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)o1 ZINC000904042981 621858593 /nfs/dbraw/zinc/85/85/93/621858593.db2.gz NJNFXUQRBIHIAU-HNNXBMFYSA-N -1 1 273.332 3.202 20 0 CGADMM Cc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)nc1 ZINC000904045959 621858975 /nfs/dbraw/zinc/85/89/75/621858975.db2.gz SHDQQEKKSDIWEY-MRXNPFEDSA-N -1 1 284.359 3.004 20 0 CGADMM CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000904402395 621918577 /nfs/dbraw/zinc/91/85/77/621918577.db2.gz XAPJUUZSQYAWBZ-HNNXBMFYSA-N -1 1 297.782 3.122 20 0 CGADMM CCC[C@@](C)(NCc1cc(C(=O)[O-])no1)c1ccccc1 ZINC000905789919 622109932 /nfs/dbraw/zinc/10/99/32/622109932.db2.gz OORJIABBOPZMQB-MRXNPFEDSA-N -1 1 288.347 3.178 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CC12CCC2 ZINC000908708800 622369048 /nfs/dbraw/zinc/36/90/48/622369048.db2.gz BGAACFQEPDBCTF-QMMMGPOBSA-N -1 1 296.164 3.283 20 0 CGADMM CC/C=C(\C)C(=O)Nc1cccc([O-])c1Br ZINC000908717319 622369610 /nfs/dbraw/zinc/36/96/10/622369610.db2.gz XQMKUQYJZWBICZ-VMPITWQZSA-N -1 1 284.153 3.450 20 0 CGADMM O=C(C=C(C1CC1)C1CC1)Nc1cc([O-])c(F)cc1F ZINC000909975438 622439645 /nfs/dbraw/zinc/43/96/45/622439645.db2.gz QPLRYOADYQONSU-UHFFFAOYSA-N -1 1 279.286 3.355 20 0 CGADMM CC(C)(C)SCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909974100 622440247 /nfs/dbraw/zinc/44/02/47/622440247.db2.gz GDEBFHRCVVWXGO-UHFFFAOYSA-N -1 1 275.320 3.141 20 0 CGADMM CO[C@H]1CCC[C@H](CC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909986228 622443880 /nfs/dbraw/zinc/44/38/80/622443880.db2.gz DHQQGXWRSNYINL-UWVGGRQHSA-N -1 1 299.317 3.204 20 0 CGADMM CC(C(=O)Nc1cc(F)cc(F)c1[O-])=C1CCCC1 ZINC000910980982 622512589 /nfs/dbraw/zinc/51/25/89/622512589.db2.gz ARKOAZKUJZUKER-UHFFFAOYSA-N -1 1 267.275 3.499 20 0 CGADMM CCS[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])C(C)C ZINC000910983260 622513082 /nfs/dbraw/zinc/51/30/82/622513082.db2.gz FKYIDWCGFQAZQI-GFCCVEGCSA-N -1 1 289.347 3.387 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C1CC2(CC2(F)F)C1 ZINC000910985473 622513633 /nfs/dbraw/zinc/51/36/33/622513633.db2.gz DBIKAZZGIJKNCL-UHFFFAOYSA-N -1 1 289.228 3.044 20 0 CGADMM O=C(C[C@H]1CCC(F)(F)C1)Nc1cc(F)cc(F)c1[O-] ZINC000910995066 622514087 /nfs/dbraw/zinc/51/40/87/622514087.db2.gz VWIZGJNNJWSRKL-SSDOTTSWSA-N -1 1 291.244 3.434 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2ccc(F)c(C(F)(F)F)c2)S1 ZINC000224452306 622876848 /nfs/dbraw/zinc/87/68/48/622876848.db2.gz YSNJHCDEHINOSV-YWEYNIOJSA-N -1 1 291.225 3.168 20 0 CGADMM O=C([N-]Cc1ccc2ccccc2c1)C(F)(F)F ZINC000171246888 623145397 /nfs/dbraw/zinc/14/53/97/623145397.db2.gz ZTGCUFFVLCRMAK-UHFFFAOYSA-N -1 1 253.223 3.018 20 0 CGADMM CCCCCC[C@@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000173200967 623312761 /nfs/dbraw/zinc/31/27/61/623312761.db2.gz QTZZZKNINHHFDO-MRVPVSSYSA-N -1 1 292.305 3.369 20 0 CGADMM Cc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1F ZINC000917348247 624262149 /nfs/dbraw/zinc/26/21/49/624262149.db2.gz ZPUHCKHTMWANIM-VIFPVBQESA-N -1 1 261.083 3.054 20 0 CGADMM CN(Cc1cccc(F)c1)C(=O)c1c([O-])cccc1Cl ZINC000920430155 624500578 /nfs/dbraw/zinc/50/05/78/624500578.db2.gz MHIQYQCNHOJPSP-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM CCCCC[C@@H](C)CC(=O)NCc1n[n-]c(=S)n1CC ZINC000080033402 625981501 /nfs/dbraw/zinc/98/15/01/625981501.db2.gz FFLBDBPDPNYTSR-LLVKDONJSA-N -1 1 298.456 3.183 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2oc(C)nc2C)n1 ZINC000788097829 626205297 /nfs/dbraw/zinc/20/52/97/626205297.db2.gz XJSCFBFTXSGEBR-UHFFFAOYSA-N -1 1 279.365 3.032 20 0 CGADMM C=Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000788158445 626358205 /nfs/dbraw/zinc/35/82/05/626358205.db2.gz KCIGBFVRHBFRKM-UHFFFAOYSA-N -1 1 274.707 3.336 20 0 CGADMM Cc1noc(C2CC2)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000752625890 626434124 /nfs/dbraw/zinc/43/41/24/626434124.db2.gz ANDRRYYIIXUBBF-UHFFFAOYSA-N -1 1 292.722 3.472 20 0 CGADMM CCCCCCO[C@@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000839705834 626779671 /nfs/dbraw/zinc/77/96/71/626779671.db2.gz NRAIYUSWQLGMKY-NSHDSACASA-N -1 1 283.343 3.455 20 0 CGADMM CC[C@H](CC(=O)[N-]OCC(F)F)c1ccc(C)cc1 ZINC000759350900 626890416 /nfs/dbraw/zinc/89/04/16/626890416.db2.gz IQWAPZSAYNEANK-LLVKDONJSA-N -1 1 271.307 3.192 20 0 CGADMM C[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000766927071 627370969 /nfs/dbraw/zinc/37/09/69/627370969.db2.gz LMBDRVAKWFCPRQ-ZETCQYMHSA-N -1 1 299.214 3.375 20 0 CGADMM O=C(N[C@@H]1CCCC(F)(F)C1)c1c([O-])cccc1Cl ZINC000768383369 627478022 /nfs/dbraw/zinc/47/80/22/627478022.db2.gz CAILNTKBTWQNNT-MRVPVSSYSA-N -1 1 289.709 3.353 20 0 CGADMM C[C@@H](CCC1CC1)NC(=O)c1c([O-])cccc1Cl ZINC000769647025 627570592 /nfs/dbraw/zinc/57/05/92/627570592.db2.gz VZVPIOWOMWYCNY-VIFPVBQESA-N -1 1 267.756 3.354 20 0 CGADMM C[C@@H](c1ccccn1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769729692 627574845 /nfs/dbraw/zinc/57/48/45/627574845.db2.gz ZCUQFPHYWOFJPE-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM CCC(C)(CC)NC(=O)c1c([O-])cccc1Cl ZINC000769839368 627583044 /nfs/dbraw/zinc/58/30/44/627583044.db2.gz JAQAVDYGMUUARN-UHFFFAOYSA-N -1 1 255.745 3.354 20 0 CGADMM C[C@@H]1CC[C@H](C)N1C(=O)c1c([O-])cccc1Cl ZINC000769982567 627594553 /nfs/dbraw/zinc/59/45/53/627594553.db2.gz HHYZDFBDSXHVQV-DTORHVGOSA-N -1 1 253.729 3.059 20 0 CGADMM O=C(Nc1ccc2c(n1)CCCC2)c1ccc([O-])cc1F ZINC000874672110 634588351 /nfs/dbraw/zinc/58/83/51/634588351.db2.gz YTSNXEIXGXBWRX-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM CC(C)c1nsc([N-]C(=O)c2coc(C3CCC3)n2)n1 ZINC000874694162 634593658 /nfs/dbraw/zinc/59/36/58/634593658.db2.gz HCSPTBQPEQERPV-UHFFFAOYSA-N -1 1 292.364 3.169 20 0 CGADMM Cc1ccccc1COC(=O)c1ccc([O-])cc1F ZINC000773574208 627897888 /nfs/dbraw/zinc/89/78/88/627897888.db2.gz BRZGAFRGKGEIHU-UHFFFAOYSA-N -1 1 260.264 3.197 20 0 CGADMM Cc1ccsc1CCNC(=O)c1c([O-])cccc1Cl ZINC000773662668 627904554 /nfs/dbraw/zinc/90/45/54/627904554.db2.gz FFDOPXREMQYKOK-UHFFFAOYSA-N -1 1 295.791 3.388 20 0 CGADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1c([O-])cccc1Cl ZINC000775318414 628081964 /nfs/dbraw/zinc/08/19/64/628081964.db2.gz HOUCKONOPVOOAS-MWLCHTKSSA-N -1 1 267.756 3.306 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cccc(CC3CCC3)c2)S1 ZINC000874929493 634653826 /nfs/dbraw/zinc/65/38/26/634653826.db2.gz FEIJTZPRQNULNL-UKTHLTGXSA-N -1 1 273.357 3.353 20 0 CGADMM O=C(O[C@H]1CCc2ccccc21)c1ccc([O-])cc1F ZINC000784520056 628819033 /nfs/dbraw/zinc/81/90/33/628819033.db2.gz YFLRACFGJZCNHE-HNNXBMFYSA-N -1 1 272.275 3.376 20 0 CGADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790048443 629179774 /nfs/dbraw/zinc/17/97/74/629179774.db2.gz QXEPQQJXWTZFFS-OQPBUACISA-N -1 1 268.744 3.061 20 0 CGADMM COc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])c(C)c1 ZINC000790046493 629179824 /nfs/dbraw/zinc/17/98/24/629179824.db2.gz GOXRRQCPHKEVTQ-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM O=C(C[C@@H]1CCC(F)(F)C1)Nc1cccc(F)c1[O-] ZINC000863008581 629459862 /nfs/dbraw/zinc/45/98/62/629459862.db2.gz XFXKNVKUSCNGDY-QMMMGPOBSA-N -1 1 273.254 3.295 20 0 CGADMM COC(=O)c1ccc(C(=O)O[C@@H](C)c2cccc(C)c2)[n-]1 ZINC000796353006 629770992 /nfs/dbraw/zinc/77/09/92/629770992.db2.gz YRXHOYRPJAUJCW-NSHDSACASA-N -1 1 287.315 3.028 20 0 CGADMM CCc1ccc(C(=O)Nc2nccc3ccncc32)c([O-])c1 ZINC000802615756 630400161 /nfs/dbraw/zinc/40/01/61/630400161.db2.gz IFFWSDREJVTDCL-UHFFFAOYSA-N -1 1 293.326 3.150 20 0 CGADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876396311 634826837 /nfs/dbraw/zinc/82/68/37/634826837.db2.gz CHPRNSORJDBOMU-OUAUKWLOSA-N -1 1 296.798 3.232 20 0 CGADMM Cc1cc(CSc2nc(C)c(C)c(=O)[n-]2)cc(Cl)n1 ZINC000840203686 630892512 /nfs/dbraw/zinc/89/25/12/630892512.db2.gz MTHCEZOPVCFFEN-UHFFFAOYSA-N -1 1 295.795 3.448 20 0 CGADMM CC(C)(c1ccccc1)C1([N-]C(=O)C(F)(F)F)CC1 ZINC000837094580 634853378 /nfs/dbraw/zinc/85/33/78/634853378.db2.gz FZQYUJJIDGSVOV-UHFFFAOYSA-N -1 1 271.282 3.175 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc2cccc(Cl)c2o1 ZINC000816740711 632048348 /nfs/dbraw/zinc/04/83/48/632048348.db2.gz LPIOOWWOXFJYBH-UHFFFAOYSA-N -1 1 291.694 3.076 20 0 CGADMM CCCC[C@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000818033438 632280061 /nfs/dbraw/zinc/28/00/61/632280061.db2.gz KLIJJCXXQZOCEC-QMMMGPOBSA-N -1 1 257.280 3.435 20 0 CGADMM COc1cnc(C=Cc2ccc(Cl)s2)[n-]c1=O ZINC000821007049 632710524 /nfs/dbraw/zinc/71/05/24/632710524.db2.gz AUILOKSGOCZKDI-HWKANZROSA-N -1 1 268.725 3.076 20 0 CGADMM COc1cnc(C=Cc2ccccc2Cl)[n-]c1=O ZINC000821007565 632711250 /nfs/dbraw/zinc/71/12/50/632711250.db2.gz JEUCIJCFMWRCJK-SREVYHEPSA-N -1 1 262.696 3.015 20 0 CGADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@]12C[C@@H]1CCCC2 ZINC000869482704 633450738 /nfs/dbraw/zinc/45/07/38/633450738.db2.gz RYRIAMLNVXEMCW-SJCJKPOMSA-N -1 1 297.358 3.097 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)[C@@]12C[C@@H]1CCCC2 ZINC000870528646 633598236 /nfs/dbraw/zinc/59/82/36/633598236.db2.gz LPAUFXYNQBOFKF-KNHMANMVSA-N -1 1 277.339 3.230 20 0 CGADMM CCc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1F ZINC000871951831 633923874 /nfs/dbraw/zinc/92/38/74/633923874.db2.gz UXSRPQSGEVMWTN-LLVKDONJSA-N -1 1 299.143 3.208 20 0 CGADMM CC1(C)CCc2c([n-]n(Cc3ccccc3F)c2=O)C1 ZINC000871955363 633925168 /nfs/dbraw/zinc/92/51/68/633925168.db2.gz YSKIJTPIXAOKLE-LBPRGKRZSA-N -1 1 274.339 3.350 20 0 CGADMM CC1(C)CCc2c([n-]n(C[C@@H]3CCCC3(F)F)c2=O)C1 ZINC000871962302 633929693 /nfs/dbraw/zinc/92/96/93/633929693.db2.gz AEISRTXEKGIWIV-WDEREUQCSA-N -1 1 284.350 3.446 20 0 CGADMM CC[C@@H]1CN(Cc2ccc(C)c(C(=O)[O-])c2)[C@@H](CC)CO1 ZINC000872158338 634069800 /nfs/dbraw/zinc/06/98/00/634069800.db2.gz ANNHRABKBFJPND-LSDHHAIUSA-N -1 1 291.391 3.083 20 0 CGADMM C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872882886 634217515 /nfs/dbraw/zinc/21/75/15/634217515.db2.gz KDHBWNZAZRZNIA-BXKDBHETSA-N -1 1 282.771 3.033 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000872979816 634226549 /nfs/dbraw/zinc/22/65/49/634226549.db2.gz MITKKRDOLHKWEY-MWLCHTKSSA-N -1 1 282.771 3.033 20 0 CGADMM C[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834823662 634248707 /nfs/dbraw/zinc/24/87/07/634248707.db2.gz ZOCXILKHVVRPEF-BMIGLBTASA-N -1 1 281.783 3.488 20 0 CGADMM C[C@H]1CC/C(=C/C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000834828846 634248967 /nfs/dbraw/zinc/24/89/67/634248967.db2.gz BHBMYAYNYIFETP-DFYQSJSGSA-N -1 1 279.767 3.408 20 0 CGADMM CC1(C)CO[C@@H](CCC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000879184352 635721911 /nfs/dbraw/zinc/72/19/11/635721911.db2.gz ZHCBKXFGNHRLBM-NSHDSACASA-N -1 1 281.327 3.065 20 0 CGADMM CCCO[N-]C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000844089095 635819655 /nfs/dbraw/zinc/81/96/55/635819655.db2.gz XRPQOWZXWXQKAB-VIFPVBQESA-N -1 1 275.270 3.267 20 0 CGADMM O=C(N=c1s[nH]c2ccccc21)[N-]OC1CCCC1 ZINC000879823360 635869382 /nfs/dbraw/zinc/86/93/82/635869382.db2.gz VNLZHJXRSYNXAI-UHFFFAOYSA-N -1 1 277.349 3.292 20 0 CGADMM O=C(COC1CCCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000129536567 636296817 /nfs/dbraw/zinc/29/68/17/636296817.db2.gz HZRFAAWZYZMUJJ-UHFFFAOYSA-N -1 1 283.755 3.333 20 0 CGADMM CC(C)COc1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000026567439 636518880 /nfs/dbraw/zinc/51/88/80/636518880.db2.gz PIAUKSZOYAYLOK-GHXNOFRVSA-N -1 1 277.345 3.045 20 0 CGADMM CCc1nc(SCOC2CCCC2)[n-]c(=O)c1C ZINC000849922184 636908962 /nfs/dbraw/zinc/90/89/62/636908962.db2.gz ZYTQIQUHJBGEGD-UHFFFAOYSA-N -1 1 268.382 3.062 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CC1(Cl)Cl ZINC000885675039 637283971 /nfs/dbraw/zinc/28/39/71/637283971.db2.gz ZXYFHBJPIZPMOH-BYPYZUCNSA-N -1 1 298.528 3.317 20 0 CGADMM CCCC[C@@H](C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886268037 637473538 /nfs/dbraw/zinc/47/35/38/637473538.db2.gz AOCPLYVRTJLBKL-SNVBAGLBSA-N -1 1 285.334 3.155 20 0 CGADMM O=C([N-]Oc1ccccc1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000854537711 638069007 /nfs/dbraw/zinc/06/90/07/638069007.db2.gz ZIPCZIVAJTXVAG-ZJUUUORDSA-N -1 1 273.254 3.075 20 0 CGADMM CC[C@H](C)N(CC)C(=O)c1c([O-])cccc1Cl ZINC000855146424 638148611 /nfs/dbraw/zinc/14/86/11/638148611.db2.gz WSOPGHMWFORZBU-VIFPVBQESA-N -1 1 255.745 3.306 20 0 CGADMM CCC[C@@H](C(=O)[N-]OCC1CCC1)c1ccccc1 ZINC000856343114 638344513 /nfs/dbraw/zinc/34/45/13/638344513.db2.gz VJMXFWZZVQPDLW-OAHLLOKOSA-N -1 1 261.365 3.418 20 0 CGADMM Cc1ccnc(NC(=O)c2ccc([O-])cc2F)c1C1CC1 ZINC000857311785 638492262 /nfs/dbraw/zinc/49/22/62/638492262.db2.gz PQIALIQUVKERHO-UHFFFAOYSA-N -1 1 286.306 3.364 20 0 CGADMM C[C@@H]1CCN(c2cc(Cl)[n-]c(=O)n2)[C@H]2CCCC[C@H]12 ZINC000858436500 638717409 /nfs/dbraw/zinc/71/74/09/638717409.db2.gz ILNUDEOPAZQBJX-MXWKQRLJSA-N -1 1 281.787 3.241 20 0 CGADMM CCC[C@H]1[C@@H](C)CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858438305 638718968 /nfs/dbraw/zinc/71/89/68/638718968.db2.gz OFRSUMVOORFGNO-UWVGGRQHSA-N -1 1 269.776 3.241 20 0 CGADMM O=c1nc(NC[C@H]2CCCCC2(F)F)cc(Cl)[n-]1 ZINC000858557185 638761378 /nfs/dbraw/zinc/76/13/78/638761378.db2.gz JUYPHLVNQLWLGA-SSDOTTSWSA-N -1 1 277.702 3.073 20 0 CGADMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(C2CC2)on1 ZINC000928790111 638892642 /nfs/dbraw/zinc/89/26/42/638892642.db2.gz UFYZRABTRMJDCY-UHFFFAOYSA-N -1 1 275.308 3.224 20 0 CGADMM O=c1nc(NC[C@H]2CCC[C@H]2C2CC2)cc(Cl)[n-]1 ZINC000858567779 638994869 /nfs/dbraw/zinc/99/48/69/638994869.db2.gz IZXFJVGSKNHUJY-ZJUUUORDSA-N -1 1 267.760 3.074 20 0 CGADMM CCC[C@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCC1 ZINC000858568016 638995170 /nfs/dbraw/zinc/99/51/70/638995170.db2.gz HLLWZVNMJONZFZ-VIFPVBQESA-N -1 1 255.749 3.216 20 0 CGADMM CCC(CC)CCCN(C)c1cc(Cl)[n-]c(=O)n1 ZINC000858633005 639004955 /nfs/dbraw/zinc/00/49/55/639004955.db2.gz LJTDJBKAIKMLIG-UHFFFAOYSA-N -1 1 271.792 3.488 20 0 CGADMM O=C(CCc1ccc(Cl)c(F)c1)[N-]OCC(F)(F)F ZINC000860201508 639309264 /nfs/dbraw/zinc/30/92/64/639309264.db2.gz MQEBQOWYWVJVBO-UHFFFAOYSA-N -1 1 299.651 3.022 20 0 CGADMM O=C(NCCSC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000048597477 640060221 /nfs/dbraw/zinc/06/02/21/640060221.db2.gz NQAHUAXUVDJVMH-UHFFFAOYSA-N -1 1 299.701 3.028 20 0 CGADMM [O-]c1ccc(Cl)c(F)c1CNc1ccncc1F ZINC000192149500 640352631 /nfs/dbraw/zinc/35/26/31/640352631.db2.gz FTLKRYKEFFFEIH-UHFFFAOYSA-N -1 1 270.666 3.331 20 0 CGADMM CC(C)CCCCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000081406155 640533344 /nfs/dbraw/zinc/53/33/44/640533344.db2.gz SIDBQTHEBBTGFP-UHFFFAOYSA-N -1 1 292.305 3.369 20 0 CGADMM CCO[N-]C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 ZINC000084180353 640604851 /nfs/dbraw/zinc/60/48/51/640604851.db2.gz KQXGOYVPAHIROA-NSHDSACASA-N -1 1 275.270 3.267 20 0 CGADMM Cc1ccc2ccc(C(=O)Nc3cccnc3F)c([O-])c2n1 ZINC001155652343 805599826 /nfs/dbraw/zinc/59/98/26/805599826.db2.gz QUBYXLLMSTYTGN-UHFFFAOYSA-N -1 1 297.289 3.035 20 0 CGADMM Cc1ccc(-c2ccc(C(F)(F)F)cc2[O-])nn1 ZINC001250518827 805670330 /nfs/dbraw/zinc/67/03/30/805670330.db2.gz CKWSSIYWJHVQTR-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM Cn1c2ccccc2nc1-c1ccc([O-])c(F)c1F ZINC001250913161 805797669 /nfs/dbraw/zinc/79/76/69/805797669.db2.gz WUEUIONOKBNWRF-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM [O-]c1cc(F)c(-c2nc3c(ccc(F)c3F)[nH]2)c(F)c1 ZINC001251008008 805824990 /nfs/dbraw/zinc/82/49/90/805824990.db2.gz XVESVIQTCUEUCU-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM O=C([O-])c1ccc(F)c(-c2nc3cc4c(cc3[nH]2)OCC4)c1 ZINC001251014333 805828923 /nfs/dbraw/zinc/82/89/23/805828923.db2.gz FIDVRWUKCNYPDP-UHFFFAOYSA-N -1 1 298.273 3.002 20 0 CGADMM Cc1cc2nc(-c3ccc(C(=O)[O-])cc3O)[nH]c2cc1F ZINC001251014953 805829614 /nfs/dbraw/zinc/82/96/14/805829614.db2.gz LYYDOKMBJLGVBZ-UHFFFAOYSA-N -1 1 286.262 3.081 20 0 CGADMM [O-]c1cnc(Cl)cc1-c1nc2c(ccc(F)c2F)[nH]1 ZINC001251251882 805871454 /nfs/dbraw/zinc/87/14/54/805871454.db2.gz LAEFBIFIRLOLKO-UHFFFAOYSA-N -1 1 281.649 3.262 20 0 CGADMM COc1cccc2c1nc(-c1c([O-])ccc(F)c1F)n2C ZINC001251321762 805881410 /nfs/dbraw/zinc/88/14/10/805881410.db2.gz DGBKRZDDRWMKEZ-UHFFFAOYSA-N -1 1 290.269 3.233 20 0 CGADMM O=S(=O)([N-]c1ccc2occc2c1)c1ccc(F)cc1 ZINC001251664396 805919013 /nfs/dbraw/zinc/91/90/13/805919013.db2.gz BGKNOOYOFXEBTA-UHFFFAOYSA-N -1 1 291.303 3.373 20 0 CGADMM CCc1ccc(N(CC2CC2)C(=O)c2ccc([O-])cn2)cc1 ZINC001158640296 805980005 /nfs/dbraw/zinc/98/00/05/805980005.db2.gz CFRVAWWAFUTMBS-UHFFFAOYSA-N -1 1 296.370 3.406 20 0 CGADMM CC(C)COc1c(F)cccc1[N-]S(=O)(=O)C(C)C ZINC001252536741 806058346 /nfs/dbraw/zinc/05/83/46/806058346.db2.gz YFVTWGFOJANZSR-UHFFFAOYSA-N -1 1 289.372 3.011 20 0 CGADMM [O-]c1cc(NC[C@@H](O)c2ccc(F)cc2)c(F)cc1Cl ZINC001252851614 806132830 /nfs/dbraw/zinc/13/28/30/806132830.db2.gz GKIGMIUSGNDKSI-CQSZACIVSA-N -1 1 299.704 3.469 20 0 CGADMM COc1ccc(-c2nnc(-c3ccccc3)o2)c([O-])c1 ZINC001253047248 806157427 /nfs/dbraw/zinc/15/74/27/806157427.db2.gz MVCQURAXCGZSIC-UHFFFAOYSA-N -1 1 268.272 3.118 20 0 CGADMM Cc1nnc(-c2cc(NC(=O)OC(C)(C)C)ccc2[O-])o1 ZINC001253471051 806225147 /nfs/dbraw/zinc/22/51/47/806225147.db2.gz QDKNQDCKLQTNQL-UHFFFAOYSA-N -1 1 291.307 3.098 20 0 CGADMM COCc1ccccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001160915999 806321613 /nfs/dbraw/zinc/32/16/13/806321613.db2.gz AZSJUFVELKUNLD-UHFFFAOYSA-N -1 1 293.269 3.069 20 0 CGADMM CCc1cccc(N(C)C(=O)c2c([O-])cccc2OC)c1 ZINC001161100193 806348454 /nfs/dbraw/zinc/34/84/54/806348454.db2.gz OWWWWVAJYKFYDO-UHFFFAOYSA-N -1 1 285.343 3.240 20 0 CGADMM [O-]c1cccnc1-c1nnc(Cc2ccccc2Cl)o1 ZINC001254329488 806382065 /nfs/dbraw/zinc/38/20/65/806382065.db2.gz ICIADIDVAHVNFF-UHFFFAOYSA-N -1 1 287.706 3.081 20 0 CGADMM C[C@H]1SCCN(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1C ZINC000134767392 799036415 /nfs/dbraw/zinc/03/64/15/799036415.db2.gz OIZOTKORKGUXII-RKDXNWHRSA-N -1 1 285.796 3.012 20 0 CGADMM CCCc1csc(NC(=O)c2ccc([O-])cc2F)n1 ZINC000165467318 799084650 /nfs/dbraw/zinc/08/46/50/799084650.db2.gz VFQCRGMFCXZTFF-UHFFFAOYSA-N -1 1 280.324 3.193 20 0 CGADMM C[C@H]1CCCN1Cn1c(Cc2cccs2)n[n-]c1=S ZINC000173518059 799090325 /nfs/dbraw/zinc/09/03/25/799090325.db2.gz GZNXAPRMSOYVHX-JTQLQIEISA-N -1 1 294.449 3.035 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2c([O-])cccc2F)C1 ZINC000235367966 799144568 /nfs/dbraw/zinc/14/45/68/799144568.db2.gz FZQWBFUOANWELX-GHMZBOCLSA-N -1 1 265.328 3.087 20 0 CGADMM COc1cc(C)ccc1-c1noc(-c2ccc(O)cc2[O-])n1 ZINC000317879897 799244431 /nfs/dbraw/zinc/24/44/31/799244431.db2.gz YULWGHVORUDJCR-UHFFFAOYSA-N -1 1 298.298 3.132 20 0 CGADMM CC[C@H](C)N(Cc1cc(C(=O)[O-])no1)Cc1ccccc1 ZINC000387270201 799444307 /nfs/dbraw/zinc/44/43/07/799444307.db2.gz SVZVAJTUQPCMHL-LBPRGKRZSA-N -1 1 288.347 3.174 20 0 CGADMM CN(Cc1cccc([O-])c1Cl)CC(F)(F)F ZINC000393315925 799485014 /nfs/dbraw/zinc/48/50/14/799485014.db2.gz NCCQALVMZJDNSL-UHFFFAOYSA-N -1 1 253.651 3.040 20 0 CGADMM Cc1[n-]n(-c2cc(C(F)(F)F)ccn2)c(=O)c1C(C)C ZINC000692685599 799797197 /nfs/dbraw/zinc/79/71/97/799797197.db2.gz ORZJXVOJDJEQLM-LLVKDONJSA-N -1 1 285.269 3.095 20 0 CGADMM O=C([O-])c1ccccc1CN(Cc1ccoc1)C1CC1 ZINC000723734498 800337724 /nfs/dbraw/zinc/33/77/24/800337724.db2.gz CHDVBIGVPXMVNG-UHFFFAOYSA-N -1 1 271.316 3.142 20 0 CGADMM CC(C)(C)c1csc(C(=O)[N-]c2c(F)ccnc2F)n1 ZINC001119394149 802659309 /nfs/dbraw/zinc/65/93/09/802659309.db2.gz IYRWWIITEHWPTG-UHFFFAOYSA-N -1 1 297.330 3.366 20 0 CGADMM C[C@@H](OC1CCCCC1)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001119649417 802689503 /nfs/dbraw/zinc/68/95/03/802689503.db2.gz ZQZJEBIXINJEGT-SECBINFHSA-N -1 1 299.317 3.347 20 0 CGADMM [O-]c1cccc(Cl)c1-c1cc(-n2ccnc2)ccn1 ZINC001244035271 803153021 /nfs/dbraw/zinc/15/30/21/803153021.db2.gz FMYWXAKMYBKCJS-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM CC(=O)N1CCc2cc(-c3cc(F)c([O-])c(F)c3)ccc21 ZINC001244095008 803182088 /nfs/dbraw/zinc/18/20/88/803182088.db2.gz YQXBXVNNEFUTPC-UHFFFAOYSA-N -1 1 289.281 3.246 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3c(c2)[C@H](O)CCO3)cc1F ZINC001244097720 803185497 /nfs/dbraw/zinc/18/54/97/803185497.db2.gz SRGNPRQESPNARM-CYBMUJFWSA-N -1 1 278.254 3.153 20 0 CGADMM [O-]c1c(F)cc(-c2ccnc(N3CCCC3)c2)cc1F ZINC001244097642 803185558 /nfs/dbraw/zinc/18/55/58/803185558.db2.gz XSVZIQJCBXIPBV-UHFFFAOYSA-N -1 1 276.286 3.333 20 0 CGADMM COCc1ccccc1-c1cc(F)c([O-])c(F)c1 ZINC001244098319 803186624 /nfs/dbraw/zinc/18/66/24/803186624.db2.gz YRCJASUBBJECEK-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM Cc1ccc([O-])c(-c2nccc(-c3ccco3)n2)c1 ZINC001244402280 803350588 /nfs/dbraw/zinc/35/05/88/803350588.db2.gz FZUKHVYUQSKNPP-UHFFFAOYSA-N -1 1 252.273 3.418 20 0 CGADMM [O-]c1ccc(OC(F)(F)F)cc1-c1nccn2ccnc12 ZINC001244461593 803380941 /nfs/dbraw/zinc/38/09/41/803380941.db2.gz XSZXTEMTGWSSCL-UHFFFAOYSA-N -1 1 295.220 3.001 20 0 CGADMM Cc1ncnc(-c2ccc(OC(F)(F)F)cc2[O-])c1C ZINC001244464027 803381736 /nfs/dbraw/zinc/38/17/36/803381736.db2.gz NRUYFMAPWHZTNN-UHFFFAOYSA-N -1 1 284.237 3.365 20 0 CGADMM O=c1c(-c2ccc(Cl)cc2[O-])cccn1-c1ccccn1 ZINC001244473348 803388438 /nfs/dbraw/zinc/38/84/38/803388438.db2.gz VXZNESHKQJDQHI-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM Cc1cc(C)nc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244537404 803425034 /nfs/dbraw/zinc/42/50/34/803425034.db2.gz CGEZZQPYXPOSDS-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM Nc1ccc2ccc(-c3c(Cl)ccc([O-])c3F)nc2n1 ZINC001244539834 803427904 /nfs/dbraw/zinc/42/79/04/803427904.db2.gz KAXJRRMDUXUWJZ-UHFFFAOYSA-N -1 1 289.697 3.377 20 0 CGADMM CC(C)Oc1ncc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244540690 803427917 /nfs/dbraw/zinc/42/79/17/803427917.db2.gz HCDODMZGMUGYIT-UHFFFAOYSA-N -1 1 282.702 3.429 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncc(CF)cn2)c1F ZINC001244540054 803428343 /nfs/dbraw/zinc/42/83/43/803428343.db2.gz OGJAYHRRSPCVEO-UHFFFAOYSA-N -1 1 256.639 3.111 20 0 CGADMM COC(=O)c1cc(F)ncc1-c1c(Cl)ccc([O-])c1F ZINC001244542824 803429466 /nfs/dbraw/zinc/42/94/66/803429466.db2.gz OUXOINPMPMRDRQ-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM O=C([O-])c1cc(-c2cccc3cncn32)c(F)cc1Cl ZINC001244612284 803464394 /nfs/dbraw/zinc/46/43/94/803464394.db2.gz JJUPKFXKZOVATN-UHFFFAOYSA-N -1 1 290.681 3.492 20 0 CGADMM Nc1ccc(F)c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001211842188 814947857 /nfs/dbraw/zinc/94/78/57/814947857.db2.gz ZPFDQXVZMATGTL-UHFFFAOYSA-N -1 1 284.294 3.043 20 0 CGADMM Cc1cc(-c2cccc3cncn32)cc(C)c1C(=O)[O-] ZINC001244949119 803587911 /nfs/dbraw/zinc/58/79/11/803587911.db2.gz RZMBOAVBWGKPLO-UHFFFAOYSA-N -1 1 266.300 3.316 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC001135487006 803599399 /nfs/dbraw/zinc/59/93/99/803599399.db2.gz NMZDYKAGMIRMOE-TYNCELHUSA-N -1 1 289.375 3.068 20 0 CGADMM Cc1nc2c(c(-c3cc(Cl)ccc3[O-])n1)CCC2 ZINC001245047937 803621273 /nfs/dbraw/zinc/62/12/73/803621273.db2.gz DNFQGNVQNORMMI-UHFFFAOYSA-N -1 1 260.724 3.300 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccsc1 ZINC001136948110 803661383 /nfs/dbraw/zinc/66/13/83/803661383.db2.gz SUAXQEZTFZUGHU-UHFFFAOYSA-N -1 1 267.737 3.288 20 0 CGADMM O=C(Nc1cc(Cl)ccc1O)c1cccc([O-])c1F ZINC001137702454 803760144 /nfs/dbraw/zinc/76/01/44/803760144.db2.gz YIDRMPGAEONBTB-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM CCc1ccc(O)c(NC(=O)c2ccc([O-])cc2F)c1 ZINC001137942197 803804479 /nfs/dbraw/zinc/80/44/79/803804479.db2.gz XSKYKUNUPNQCKK-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM CC(C)(O)c1cccc(NC(=O)c2cccc([O-])c2F)c1 ZINC001138328156 803894321 /nfs/dbraw/zinc/89/43/21/803894321.db2.gz ZAXJKJNJNUNXNF-UHFFFAOYSA-N -1 1 289.306 3.011 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3ccoc32)c1Cl ZINC001245826280 803981021 /nfs/dbraw/zinc/98/10/21/803981021.db2.gz IDROORPDDOUPHT-UHFFFAOYSA-N -1 1 264.643 3.388 20 0 CGADMM Cn1ccc2c1ncnc2-c1c(F)ccc([O-])c1Cl ZINC001245828800 803982402 /nfs/dbraw/zinc/98/24/02/803982402.db2.gz XPIAXNXBDNAXOP-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM Cc1cc(-c2c(F)ccc([O-])c2Cl)nc(C)n1 ZINC001245828373 803982770 /nfs/dbraw/zinc/98/27/70/803982770.db2.gz TXOUHNWCNFTACT-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM Cc1c(C(N)=O)cccc1-c1c(F)ccc([O-])c1Cl ZINC001245831664 803987206 /nfs/dbraw/zinc/98/72/06/803987206.db2.gz HJVCJPFSFAHUAO-UHFFFAOYSA-N -1 1 279.698 3.259 20 0 CGADMM CCOC(=O)c1cc(-c2c(F)ccc([O-])c2Cl)ccn1 ZINC001245832966 803987720 /nfs/dbraw/zinc/98/77/20/803987720.db2.gz WDGPPCBICJOBKH-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM COc1ccc(F)nc1-c1c(F)ccc([O-])c1Cl ZINC001245834324 803988647 /nfs/dbraw/zinc/98/86/47/803988647.db2.gz FDGLGGBWEKLIHC-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM CCc1cc(=O)n(-c2ccnc3c(Cl)cccc23)[n-]1 ZINC001245917891 804045001 /nfs/dbraw/zinc/04/50/01/804045001.db2.gz OZTWBKVAKSWBLF-UHFFFAOYSA-N -1 1 273.723 3.342 20 0 CGADMM CCCc1ccc(-n2[n-]c(CC3CC3)cc2=O)cc1 ZINC001245952738 804087724 /nfs/dbraw/zinc/08/77/24/804087724.db2.gz GDLAXZAPXBXBQL-UHFFFAOYSA-N -1 1 256.349 3.483 20 0 CGADMM C[C@]1(CF)CC(F)(F)CN1Cc1ccc([O-])c(F)c1F ZINC001140888889 804542694 /nfs/dbraw/zinc/54/26/94/804542694.db2.gz ZTFFITDADAVHSJ-GFCCVEGCSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1ccc(CN2CC[C@H](F)C(F)(F)CC2)c(F)c1F ZINC001140889725 804543742 /nfs/dbraw/zinc/54/37/42/804543742.db2.gz JWWNIICJFUFWPT-JTQLQIEISA-N -1 1 295.251 3.240 20 0 CGADMM CCN(Cc1ccccn1)Cc1ccc([O-])c(F)c1F ZINC001140893554 804546088 /nfs/dbraw/zinc/54/60/88/804546088.db2.gz SOVCSSAQKZKIIB-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[N-]Oc2ccc(F)cc2)C[C@@H]1C ZINC001165799854 807020429 /nfs/dbraw/zinc/02/04/29/807020429.db2.gz CIOKOTOIKYXNQN-WOPDTQHZSA-N -1 1 265.328 3.308 20 0 CGADMM Cc1cc([C@H]2CCCN2Cc2cc(F)c([O-])c(F)c2)no1 ZINC001140988342 804564423 /nfs/dbraw/zinc/56/44/23/804564423.db2.gz XBZBENJBLVPUEO-CQSZACIVSA-N -1 1 294.301 3.304 20 0 CGADMM C[C@H]1c2cccn2CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC001141449879 804643106 /nfs/dbraw/zinc/64/31/06/804643106.db2.gz NTJHDQCEAPLWCY-JTQLQIEISA-N -1 1 290.750 3.064 20 0 CGADMM CC(C)[C@@H](C)N(C(=O)c1ccc(F)c([O-])c1)C1CC1 ZINC001142135066 804698154 /nfs/dbraw/zinc/69/81/54/804698154.db2.gz IAXXVOCOIUEEJR-SNVBAGLBSA-N -1 1 265.328 3.180 20 0 CGADMM Cc1cc(Cl)cc(-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212480804 815035480 /nfs/dbraw/zinc/03/54/80/815035480.db2.gz JTMMRHKLMAJPAY-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM O=C([O-])c1cc(Cl)ccc1CN1CC2(CCC2)C1 ZINC001142646759 804746922 /nfs/dbraw/zinc/74/69/22/804746922.db2.gz CLMRXVNSOMPLBZ-UHFFFAOYSA-N -1 1 265.740 3.024 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1C[C@H]2CCCC[C@H]21 ZINC001165277017 806984867 /nfs/dbraw/zinc/98/48/67/806984867.db2.gz LBYBAURWKMDZRW-MWLCHTKSSA-N -1 1 265.740 3.060 20 0 CGADMM Cc1ccc(-c2noc(-c3ncccc3[O-])n2)cc1C ZINC001212480962 815036328 /nfs/dbraw/zinc/03/63/28/815036328.db2.gz RUZPUNXZCDVVMC-UHFFFAOYSA-N -1 1 267.288 3.121 20 0 CGADMM Cc1cc(-c2noc(-c3ncccc3[O-])n2)ccc1Cl ZINC001212480895 815036476 /nfs/dbraw/zinc/03/64/76/815036476.db2.gz OSXXIDUPQWUOCE-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CCc1nc2ccc(NC(=O)c3cncc([O-])c3)cc2s1 ZINC001143191948 804818248 /nfs/dbraw/zinc/81/82/48/804818248.db2.gz WTWVPPZXUWJHJY-UHFFFAOYSA-N -1 1 299.355 3.212 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cnn(CC(F)(F)F)c1 ZINC001248669349 804965391 /nfs/dbraw/zinc/96/53/91/804965391.db2.gz RINFPOWAQXGGBJ-UHFFFAOYSA-N -1 1 293.195 3.173 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@@H](F)C(F)(F)CC2)c(F)c1 ZINC001144542340 805002309 /nfs/dbraw/zinc/00/23/09/805002309.db2.gz UFCPRIFDXDJICC-GFCCVEGCSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H]2C(F)(F)F)cc1F ZINC001144647860 805023374 /nfs/dbraw/zinc/02/33/74/805023374.db2.gz NAGFEIJHTNGFNP-NSHDSACASA-N -1 1 281.224 3.197 20 0 CGADMM CCN(Cc1ccccn1)Cc1cc(F)c([O-])cc1F ZINC001144657968 805024207 /nfs/dbraw/zinc/02/42/07/805024207.db2.gz OZCNZMQLAHRONN-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM CN(Cc1ccsc1)Cc1cc(F)c([O-])cc1F ZINC001144657751 805025893 /nfs/dbraw/zinc/02/58/93/805025893.db2.gz GSPIYSHXSQJBHG-UHFFFAOYSA-N -1 1 269.316 3.364 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@H](C(F)(F)F)C2)cc1F ZINC001144666715 805030068 /nfs/dbraw/zinc/03/00/68/805030068.db2.gz MZHJXVVJKRZOEK-QMMMGPOBSA-N -1 1 281.224 3.055 20 0 CGADMM [O-]c1cc(F)c(CN2CCOc3ccccc3C2)cc1F ZINC001144667096 805031443 /nfs/dbraw/zinc/03/14/43/805031443.db2.gz RSUVLCBEOLOKLH-UHFFFAOYSA-N -1 1 291.297 3.065 20 0 CGADMM C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001144815899 805057304 /nfs/dbraw/zinc/05/73/04/805057304.db2.gz UOIGYKLTHLLYKO-LDYMZIIASA-N -1 1 287.281 3.329 20 0 CGADMM Cc1ccc2oc(CNC(=O)c3ncc(C)cc3[O-])cc2c1 ZINC001147485373 805133342 /nfs/dbraw/zinc/13/33/42/805133342.db2.gz IVZKTJUSDWBAOT-UHFFFAOYSA-N -1 1 296.326 3.080 20 0 CGADMM CSc1ccccc1NC(=S)N[C@H]1[CH]CC=C1 ZINC001249715940 805222205 /nfs/dbraw/zinc/22/22/05/805222205.db2.gz ABOALERZRBIAOG-SNVBAGLBSA-N -1 1 263.411 3.228 20 0 CGADMM O=C([O-])c1c(F)ccc(CN2CCC3(CCCC3)C2)c1F ZINC001249773914 805239685 /nfs/dbraw/zinc/23/96/85/805239685.db2.gz PHOUFNRIBGJGLU-UHFFFAOYSA-N -1 1 295.329 3.429 20 0 CGADMM CC[C@H]1CCCN(Cc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001249777005 805241139 /nfs/dbraw/zinc/24/11/39/805241139.db2.gz SNJHDXSICFSCIM-JTQLQIEISA-N -1 1 283.318 3.285 20 0 CGADMM O=C([O-])c1c(F)ccc(CN2CC3CCC2CC3)c1F ZINC001249776972 805242430 /nfs/dbraw/zinc/24/24/30/805242430.db2.gz SATMERVWSARACJ-UHFFFAOYSA-N -1 1 281.302 3.037 20 0 CGADMM O=C(N[C@@H]1C=CCCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001150007405 805250926 /nfs/dbraw/zinc/25/09/26/805250926.db2.gz NXWUYMQSLZJRLR-GFCCVEGCSA-N -1 1 283.327 3.090 20 0 CGADMM [O-]c1cc(Nc2cccn3ccnc23)c(F)c(F)c1F ZINC001249958147 805324726 /nfs/dbraw/zinc/32/47/26/805324726.db2.gz KDURVULOSMDEOP-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM [O-]c1cc(Nc2nc3c(s2)CCC3)c(F)c(F)c1F ZINC001249957533 805325260 /nfs/dbraw/zinc/32/52/60/805325260.db2.gz BWNMNCLLKBZYBQ-UHFFFAOYSA-N -1 1 286.278 3.498 20 0 CGADMM [O-]c1cc(Nc2cn3ccccc3n2)c(F)c(F)c1F ZINC001249961273 805328817 /nfs/dbraw/zinc/32/88/17/805328817.db2.gz OGYKIWHRKSGOCR-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM O=c1[nH]c2ccc(Nc3cc([O-])c(F)c(F)c3F)cc2o1 ZINC001249962262 805329797 /nfs/dbraw/zinc/32/97/97/805329797.db2.gz DJYJRQMXEMKVEM-UHFFFAOYSA-N -1 1 296.204 3.400 20 0 CGADMM [O-]c1cc(Nc2cccc3c2OCO3)c(F)c(F)c1F ZINC001249962913 805330105 /nfs/dbraw/zinc/33/01/05/805330105.db2.gz PLFCJMPWJALJNN-UHFFFAOYSA-N -1 1 283.205 3.282 20 0 CGADMM COc1cc(N)ccc1Nc1cc([O-])c(F)c(F)c1F ZINC001249963656 805330418 /nfs/dbraw/zinc/33/04/18/805330418.db2.gz RERLNNRAFSOKEH-UHFFFAOYSA-N -1 1 284.237 3.144 20 0 CGADMM Cc1cccc(N)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249964131 805333464 /nfs/dbraw/zinc/33/34/64/805333464.db2.gz ZLCYZYMYJYQOGT-UHFFFAOYSA-N -1 1 268.238 3.444 20 0 CGADMM Cc1ncn(-c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)c1N ZINC001250015265 805367708 /nfs/dbraw/zinc/36/77/08/805367708.db2.gz FRTRTDONJBQPPC-UHFFFAOYSA-N -1 1 293.326 3.128 20 0 CGADMM Cn1nc(Nc2cc(Cl)c([O-])cc2F)c2cccnc21 ZINC001250020797 805371580 /nfs/dbraw/zinc/37/15/80/805371580.db2.gz ROLDAWXWMDVRQT-UHFFFAOYSA-N -1 1 292.701 3.210 20 0 CGADMM Cc1ccnnc1Nc1cc(Cl)c([O-])cc1F ZINC001250023747 805375376 /nfs/dbraw/zinc/37/53/76/805375376.db2.gz ZAHHWXQPAZQYCJ-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM CC(C)(C)n1cc(Nc2cc([O-])c(F)c(F)c2)cn1 ZINC001212572038 815073120 /nfs/dbraw/zinc/07/31/20/815073120.db2.gz GIJZLBOZKPUADT-UHFFFAOYSA-N -1 1 267.279 3.366 20 0 CGADMM O=C(Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001250135285 805436127 /nfs/dbraw/zinc/43/61/27/805436127.db2.gz KXTIZFHARCCLQX-UHFFFAOYSA-N -1 1 266.218 3.235 20 0 CGADMM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([O-])cn1 ZINC001154313234 805448726 /nfs/dbraw/zinc/44/87/26/805448726.db2.gz SWVANARBUCPCBH-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM CC(C)C(C)(C)CNC(=O)c1ncc2ccccc2c1[O-] ZINC001154518325 805461437 /nfs/dbraw/zinc/46/14/37/805461437.db2.gz PWKCLMRFZHMVHY-UHFFFAOYSA-N -1 1 286.375 3.352 20 0 CGADMM [O-]c1ccc(C[C@@H]2COc3ccccc3O2)c(F)c1F ZINC001250177265 805465089 /nfs/dbraw/zinc/46/50/89/805465089.db2.gz YRQPSBYWLQVQGT-SNVBAGLBSA-N -1 1 278.254 3.053 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N[C@@H]3C[C@@H]3C3CC3)cc2c1 ZINC001154761158 805483251 /nfs/dbraw/zinc/48/32/51/805483251.db2.gz ZBZBDRZTEMKDDE-GDBMZVCRSA-N -1 1 297.354 3.082 20 0 CGADMM Cc1ncc(Nc2c(F)ccc([O-])c2Cl)nc1C ZINC001250228455 805504665 /nfs/dbraw/zinc/50/46/65/805504665.db2.gz BNAQGWPNNXXLQN-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM [O-]c1ccc(F)c(Nc2ncccc2O)c1Cl ZINC001250228210 805505159 /nfs/dbraw/zinc/50/51/59/805505159.db2.gz QKLSHUXFXFQQBI-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM Cc1nc2ccc(N)cc2n1-c1c(F)ccc([O-])c1Cl ZINC001250233401 805507760 /nfs/dbraw/zinc/50/77/60/805507760.db2.gz PEWRIBBFHCGRHE-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM CC(C)(C)Cc1nnc(-c2ccc(F)c([O-])c2)o1 ZINC001257892891 807243056 /nfs/dbraw/zinc/24/30/56/807243056.db2.gz AYVWVMRKSWBXNM-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM Cc1csc([N-]S(=O)(=O)CCc2ccc(F)cc2)c1 ZINC001259754526 807684912 /nfs/dbraw/zinc/68/49/12/807684912.db2.gz PSGIGDRIJOLGAH-UHFFFAOYSA-N -1 1 299.392 3.180 20 0 CGADMM Cc1cc(F)ncc1Nc1ccc(F)c(F)c1[O-] ZINC001212817865 815147285 /nfs/dbraw/zinc/14/72/85/815147285.db2.gz RXOIARSTICUTMZ-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N(CC(F)F)C1CCC1 ZINC001262189192 807833817 /nfs/dbraw/zinc/83/38/17/807833817.db2.gz SBKGTCHXHFXANU-UHFFFAOYSA-N -1 1 289.709 3.305 20 0 CGADMM CC(=O)Nc1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001173831300 808696282 /nfs/dbraw/zinc/69/62/82/808696282.db2.gz DLIRLFDFTPHEFJ-UHFFFAOYSA-N -1 1 277.711 3.143 20 0 CGADMM COCc1ccccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001174104422 808868037 /nfs/dbraw/zinc/86/80/37/808868037.db2.gz LYGDRUTUJDAOJB-UHFFFAOYSA-N -1 1 297.310 3.389 20 0 CGADMM Cc1c(Cl)cc(Nc2cn[nH]c2)c([O-])c1Cl ZINC001174298153 808939913 /nfs/dbraw/zinc/93/99/13/808939913.db2.gz YDZRQTKYQZOSLU-UHFFFAOYSA-N -1 1 258.108 3.474 20 0 CGADMM O=c1ccn(-c2ccc(Nc3cnc4[nH]ccc4c3)cc2)[n-]1 ZINC001174401262 808998171 /nfs/dbraw/zinc/99/81/71/808998171.db2.gz VNIJSWJBMCUTGO-UHFFFAOYSA-N -1 1 291.314 3.149 20 0 CGADMM CCOc1ncccc1[N-]c1nc(C(C)(C)C)ns1 ZINC001174455837 809017906 /nfs/dbraw/zinc/01/79/06/809017906.db2.gz CHFHOJNMATUYMU-UHFFFAOYSA-N -1 1 278.381 3.373 20 0 CGADMM Nc1ccc(Nc2cc([O-])c(F)c(F)c2)c(F)c1 ZINC001174482054 809037308 /nfs/dbraw/zinc/03/73/08/809037308.db2.gz ONNBSOOMVLGQDD-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM [O-]c1cc(F)c(Nc2cc(F)ccc2O)cc1F ZINC001174627685 809109224 /nfs/dbraw/zinc/10/92/24/809109224.db2.gz AZVCCHJLUITTSR-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM CN(C)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001174878862 809186948 /nfs/dbraw/zinc/18/69/48/809186948.db2.gz LMGLKYBXOSQQJU-UHFFFAOYSA-N -1 1 264.275 3.480 20 0 CGADMM Cc1cc(C)nc(Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001174982061 809224538 /nfs/dbraw/zinc/22/45/38/809224538.db2.gz SDZFYXQYTOWYCU-UHFFFAOYSA-N -1 1 256.305 3.449 20 0 CGADMM CC(=O)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1O ZINC001213384589 815274403 /nfs/dbraw/zinc/27/44/03/815274403.db2.gz VNKKUTBLRKKKQD-UHFFFAOYSA-N -1 1 279.242 3.322 20 0 CGADMM COc1ncc([N-]c2cc(Cc3ccccc3)no2)s1 ZINC001175386863 809386657 /nfs/dbraw/zinc/38/66/57/809386657.db2.gz HMILXBZBUFCGOJ-UHFFFAOYSA-N -1 1 287.344 3.474 20 0 CGADMM C[C@H]1c2ccsc2CCN1C(=O)c1cccc([O-])c1F ZINC001290646752 809411985 /nfs/dbraw/zinc/41/19/85/809411985.db2.gz MUBUNCTYXCUGAP-VIFPVBQESA-N -1 1 291.347 3.352 20 0 CGADMM Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc([O-])cn1 ZINC001291814780 809423482 /nfs/dbraw/zinc/42/34/82/809423482.db2.gz UGMICQQRKXVKFK-MRXNPFEDSA-N -1 1 282.343 3.073 20 0 CGADMM COc1cc(C)ccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001292405602 809431644 /nfs/dbraw/zinc/43/16/44/809431644.db2.gz BMZYUSOCQOTIAX-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM O=C(NCCCc1cccc(F)c1)c1cccc([O-])c1F ZINC001293055040 809441275 /nfs/dbraw/zinc/44/12/75/809441275.db2.gz UNAQCDRUKKCYJT-UHFFFAOYSA-N -1 1 291.297 3.033 20 0 CGADMM CC[C@](C)(NC(=O)c1ccc(F)c([O-])c1)c1nccs1 ZINC001293734657 809454093 /nfs/dbraw/zinc/45/40/93/809454093.db2.gz FYHIGFDNHAVWOT-AWEZNQCLSA-N -1 1 294.351 3.043 20 0 CGADMM CCc1ccccc1CNC(=O)c1cccc([O-])c1F ZINC001293814963 809455383 /nfs/dbraw/zinc/45/53/83/809455383.db2.gz FOAAXDPIICJDIL-UHFFFAOYSA-N -1 1 273.307 3.024 20 0 CGADMM Cn1cc2cc(Nc3cc([O-])c(F)c(F)c3)ccc2n1 ZINC001175621539 809477594 /nfs/dbraw/zinc/47/75/94/809477594.db2.gz RNXGSTPNFPPZRY-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM CSc1ncc([N-]c2nc(C(C)(C)C)ns2)cn1 ZINC001175644302 809486338 /nfs/dbraw/zinc/48/63/38/809486338.db2.gz PPUROMGWZBVLLF-UHFFFAOYSA-N -1 1 281.410 3.091 20 0 CGADMM CSc1nc(Nc2ccc3ccncc3c2)cc(=O)[n-]1 ZINC001175702868 809513713 /nfs/dbraw/zinc/51/37/13/809513713.db2.gz MZKRYGNINFAUTN-UHFFFAOYSA-N -1 1 284.344 3.196 20 0 CGADMM CC(C)Oc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC001298242881 809530573 /nfs/dbraw/zinc/53/05/73/809530573.db2.gz GPSDMNFPHZMONW-UHFFFAOYSA-N -1 1 271.316 3.432 20 0 CGADMM O=S(=O)([O-])c1ccc(Cl)c(N=C2CCCCC2)c1 ZINC001175755338 809532354 /nfs/dbraw/zinc/53/23/54/809532354.db2.gz QXEXEDBVVWIQIJ-UHFFFAOYSA-N -1 1 287.768 3.457 20 0 CGADMM CC[C@@H](NC(=O)c1ncc(C)cc1[O-])c1ccccc1F ZINC001300130889 809562381 /nfs/dbraw/zinc/56/23/81/809562381.db2.gz DVYQGOWMIPLYNA-CYBMUJFWSA-N -1 1 288.322 3.116 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc2c1OCC2 ZINC001176073787 809613838 /nfs/dbraw/zinc/61/38/38/809613838.db2.gz ADKCCTCLDHDZIJ-UHFFFAOYSA-N -1 1 295.294 3.177 20 0 CGADMM O=c1ccc(Nc2cc([O-])c(Cl)cc2F)c[nH]1 ZINC001176128626 809631177 /nfs/dbraw/zinc/63/11/77/809631177.db2.gz GQEKBZRBQSHDFE-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM COc1cc(Nc2cnc3cccc(C)n23)cc(C(=O)[O-])c1 ZINC001213589174 815307223 /nfs/dbraw/zinc/30/72/23/815307223.db2.gz RYIYSDSMYKDEFE-UHFFFAOYSA-N -1 1 297.314 3.093 20 0 CGADMM COc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1O ZINC001176669021 809738032 /nfs/dbraw/zinc/73/80/32/809738032.db2.gz CBMKUPNAHXNJKG-UHFFFAOYSA-N -1 1 285.221 3.267 20 0 CGADMM CC(C)[C@H](NC(=O)c1ccc([O-])c(F)c1)c1cccnc1 ZINC001186242876 810323323 /nfs/dbraw/zinc/32/33/23/810323323.db2.gz SCGWVQZHWURFGO-HNNXBMFYSA-N -1 1 288.322 3.053 20 0 CGADMM Cc1nc2c(NC(=O)c3ccc([O-])cc3F)cccn2c1C ZINC001186317983 810327848 /nfs/dbraw/zinc/32/78/48/810327848.db2.gz AQSRYKIEOAAQRP-UHFFFAOYSA-N -1 1 299.305 3.048 20 0 CGADMM O=C(Nc1ccc(C2CCC2)nc1)c1ccc([O-])cc1F ZINC001186318633 810328184 /nfs/dbraw/zinc/32/81/84/810328184.db2.gz NNUSUBWGESMFAS-UHFFFAOYSA-N -1 1 286.306 3.446 20 0 CGADMM O=C(NCc1cccc(C(F)F)c1)c1ccc([O-])cc1F ZINC001186337454 810328716 /nfs/dbraw/zinc/32/87/16/810328716.db2.gz JGTQZIOYWZVWRD-UHFFFAOYSA-N -1 1 295.260 3.399 20 0 CGADMM O=C(NCc1cncc2ccccc21)c1ccc([O-])cc1F ZINC001186349129 810330453 /nfs/dbraw/zinc/33/04/53/810330453.db2.gz XVCPBWJXVNXJKI-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM CC(C)c1cccc(NC(=O)c2ncc(C(F)(F)F)[n-]2)n1 ZINC001188278259 810473229 /nfs/dbraw/zinc/47/32/29/810473229.db2.gz PAJPWUXHFJAJAG-UHFFFAOYSA-N -1 1 298.268 3.199 20 0 CGADMM O=c1cc(CSCc2ccncc2)c2ccc([O-])cc2o1 ZINC001190210199 810612373 /nfs/dbraw/zinc/61/23/73/810612373.db2.gz LKXVWGLHRDWCOF-UHFFFAOYSA-N -1 1 299.351 3.327 20 0 CGADMM CCCC[C@H](C)NC(=O)Nc1cccc(F)c1[O-] ZINC001193059792 810848726 /nfs/dbraw/zinc/84/87/26/810848726.db2.gz CIFBOJGNLXKABK-VIFPVBQESA-N -1 1 254.305 3.232 20 0 CGADMM [O-]c1c(F)cc(Nc2ccc(Cl)nn2)cc1Cl ZINC001214480212 815415411 /nfs/dbraw/zinc/41/54/11/815415411.db2.gz PHIJNNGNURUYJU-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM C[C@H](O)c1ccnc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214486792 815416114 /nfs/dbraw/zinc/41/61/14/815416114.db2.gz ZJGUBTZSLOTIQJ-ZETCQYMHSA-N -1 1 282.702 3.377 20 0 CGADMM [O-]c1c(F)cc(Nc2ccnc(F)c2)cc1Cl ZINC001214482805 815416695 /nfs/dbraw/zinc/41/66/95/815416695.db2.gz OWEYTWAGNYAREM-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM NC(=O)c1cc(Nc2cc(F)c([O-])c(Cl)c2)ccc1F ZINC001214489987 815417490 /nfs/dbraw/zinc/41/74/90/815417490.db2.gz LVGWXUNXWLVYIP-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM Nc1ccc(Nc2cc(F)c([O-])c(Cl)c2)c(CCO)c1 ZINC001214490567 815417614 /nfs/dbraw/zinc/41/76/14/815417614.db2.gz XXGCIOCNNFIKAU-UHFFFAOYSA-N -1 1 296.729 3.045 20 0 CGADMM COc1ccccc1OC(=O)Nc1c([O-])cccc1F ZINC001195261430 811233732 /nfs/dbraw/zinc/23/37/32/811233732.db2.gz HJVAREXIDDAKJF-UHFFFAOYSA-N -1 1 277.251 3.151 20 0 CGADMM [O-]c1cc(F)ccc1NC(=S)Nc1ccccc1F ZINC001195773038 811291871 /nfs/dbraw/zinc/29/18/71/811291871.db2.gz HNOXJDBMCXTLBM-UHFFFAOYSA-N -1 1 280.299 3.479 20 0 CGADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])C1=CC=CC1 ZINC001199695048 811587366 /nfs/dbraw/zinc/58/73/66/811587366.db2.gz KWZHQIOUVFTDFA-UHFFFAOYSA-N -1 1 269.222 3.236 20 0 CGADMM [O-]c1cc(F)c(NC(=S)NC2CCCCC2)cc1F ZINC001200651051 811728319 /nfs/dbraw/zinc/72/83/19/811728319.db2.gz RJVHYXXLTYZWNG-UHFFFAOYSA-N -1 1 286.347 3.290 20 0 CGADMM O=c1[nH]c2ccccc2cc1Nc1ccnc(Cl)c1[O-] ZINC001201753667 811958951 /nfs/dbraw/zinc/95/89/51/811958951.db2.gz ZVPSMZOSLCKXTR-UHFFFAOYSA-N -1 1 287.706 3.438 20 0 CGADMM O=C(Nc1c(F)cc([O-])cc1F)NC1CCCCC1 ZINC001202617367 812137443 /nfs/dbraw/zinc/13/74/43/812137443.db2.gz XBYTUQOVMXDFPM-UHFFFAOYSA-N -1 1 270.279 3.125 20 0 CGADMM COc1cc(C)cc(-c2noc(-c3ccc(O)cc3[O-])n2)c1 ZINC001215299982 815505295 /nfs/dbraw/zinc/50/52/95/815505295.db2.gz LDRZUBVTSYFTIO-UHFFFAOYSA-N -1 1 298.298 3.132 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(C)cc(O)c3)ccc2[n-]1 ZINC001206234144 813249993 /nfs/dbraw/zinc/24/99/93/813249993.db2.gz KQHHGUKUOOHBBQ-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(C)cc(O)c3)cc2[n-]1 ZINC001206234144 813249997 /nfs/dbraw/zinc/24/99/97/813249997.db2.gz KQHHGUKUOOHBBQ-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cc(C)cc(O)c3)ccc2[n-]1 ZINC001206255488 813257157 /nfs/dbraw/zinc/25/71/57/813257157.db2.gz GKJCOFRECYBGSR-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cc(C)cc(O)c3)cc2[n-]1 ZINC001206255488 813257164 /nfs/dbraw/zinc/25/71/64/813257164.db2.gz GKJCOFRECYBGSR-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(F)c(CO)c2)cc1F ZINC001209882014 814186154 /nfs/dbraw/zinc/18/61/54/814186154.db2.gz YZSXFDIWNWPRMA-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccc2cccnc2c1 ZINC001210054387 814266240 /nfs/dbraw/zinc/26/62/40/814266240.db2.gz FENYMYDOJIYMFB-UHFFFAOYSA-N -1 1 299.315 3.161 20 0 CGADMM COc1ccc(OC(F)(F)F)cc1[N-]c1nnc(C)o1 ZINC001210155328 814315105 /nfs/dbraw/zinc/31/51/05/814315105.db2.gz HGNIOZXPCBXJRC-UHFFFAOYSA-N -1 1 289.213 3.029 20 0 CGADMM CC(=O)c1ccc(Nc2cc([O-])c(F)cc2F)cn1 ZINC001210274454 814374834 /nfs/dbraw/zinc/37/48/34/814374834.db2.gz QOSFWGYOWIFCEG-UHFFFAOYSA-N -1 1 264.231 3.012 20 0 CGADMM C[C@H](O)c1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001210510398 814499166 /nfs/dbraw/zinc/49/91/66/814499166.db2.gz BIKWXYVLBIUPPV-QMMMGPOBSA-N -1 1 265.259 3.467 20 0 CGADMM C[C@@H](O)c1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001210510817 814500442 /nfs/dbraw/zinc/50/04/42/814500442.db2.gz APJZFWGCKBHATE-GFCCVEGCSA-N -1 1 295.342 3.375 20 0 CGADMM [O-]c1cc(Nc2cccc3c2OCO3)cc(F)c1F ZINC001210562479 814528176 /nfs/dbraw/zinc/52/81/76/814528176.db2.gz FFPWRZKKNOZYPE-UHFFFAOYSA-N -1 1 265.215 3.143 20 0 CGADMM COc1cnc(-c2cccc([O-])c2Cl)nc1NC(C)C ZINC001242797695 823135133 /nfs/dbraw/zinc/13/51/33/823135133.db2.gz FBVIEWLATLIDEZ-UHFFFAOYSA-N -1 1 293.754 3.332 20 0 CGADMM Brc1ncc([N-]c2nccs2)s1 ZINC001210991575 814701913 /nfs/dbraw/zinc/70/19/13/814701913.db2.gz NFGPFVZGZVNQQJ-UHFFFAOYSA-N -1 1 262.157 3.106 20 0 CGADMM CCN(CC)c1cc(-c2cccc([O-])c2Cl)ncn1 ZINC001242800920 823137151 /nfs/dbraw/zinc/13/71/51/823137151.db2.gz MMZWPNABWCNMHH-UHFFFAOYSA-N -1 1 277.755 3.349 20 0 CGADMM [O-]c1cccc(-c2ccc(-c3nn[nH]n3)c(F)c2)c1Cl ZINC001242802582 823138010 /nfs/dbraw/zinc/13/80/10/823138010.db2.gz MBSIJTBSPFHPJV-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM C[C@H]1C(=O)Nc2cc(-c3cc(F)c([O-])cc3F)ccc21 ZINC001211339820 814881483 /nfs/dbraw/zinc/88/14/83/814881483.db2.gz PTERNFNSLNOTHL-SSDOTTSWSA-N -1 1 275.254 3.393 20 0 CGADMM O=C1CCc2cc(-c3cc(F)c([O-])cc3F)ccc2O1 ZINC001211338189 814881626 /nfs/dbraw/zinc/88/16/26/814881626.db2.gz BLAMZANGHVPXEN-UHFFFAOYSA-N -1 1 276.238 3.189 20 0 CGADMM O=C1CSc2cc(-c3cc(F)c([O-])cc3F)ccc2N1 ZINC001211351835 814884801 /nfs/dbraw/zinc/88/48/01/814884801.db2.gz FJKKHLJOYWWSAN-UHFFFAOYSA-N -1 1 293.294 3.382 20 0 CGADMM [O-]c1c(F)cc(Nc2cccc(CO)c2F)cc1F ZINC001211439939 814892477 /nfs/dbraw/zinc/89/24/77/814892477.db2.gz MZCNOWCXCGCGAR-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM Cc1cc(Nc2cc([O-])c(F)c(F)c2)ccc1CO ZINC001211585020 814912036 /nfs/dbraw/zinc/91/20/36/814912036.db2.gz HGVIFHLSXWDEMB-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM [O-]c1cc(-c2nc(-c3ccccc3F)no2)ccc1F ZINC001215839618 815610515 /nfs/dbraw/zinc/61/05/15/815610515.db2.gz WHFLFPIQWQJCNC-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM COc1ccc(Nc2ccc(F)c(F)c2[O-])cc1N ZINC001216261246 815759793 /nfs/dbraw/zinc/75/97/93/815759793.db2.gz AKFWLVDSQSRRMX-UHFFFAOYSA-N -1 1 266.247 3.005 20 0 CGADMM Cc1c(O)cccc1Nc1ccc(F)c(F)c1[O-] ZINC001216321487 815782707 /nfs/dbraw/zinc/78/27/07/815782707.db2.gz CYULFISJUOJUSO-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1cc(F)ccc1Cl ZINC001216476786 815834127 /nfs/dbraw/zinc/83/41/27/815834127.db2.gz FABAPVQVZPOOMZ-UHFFFAOYSA-N -1 1 284.674 3.387 20 0 CGADMM CCOc1ncc(-c2cc(F)c([O-])cc2F)cc1OC ZINC001222083102 816343119 /nfs/dbraw/zinc/34/31/19/816343119.db2.gz NUQOAQRMEOTYKG-UHFFFAOYSA-N -1 1 281.258 3.140 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccccc3Cl)nc2[n-]1 ZINC001222440505 816446490 /nfs/dbraw/zinc/44/64/90/816446490.db2.gz GDAWJFPVZRERGC-UHFFFAOYSA-N -1 1 287.706 3.065 20 0 CGADMM O=C([O-])C1(c2ccc(-c3nccc4[nH]ccc43)cc2)CC1 ZINC001222658446 816493942 /nfs/dbraw/zinc/49/39/42/816493942.db2.gz PLPGYZQIPFBZOP-UHFFFAOYSA-N -1 1 278.311 3.346 20 0 CGADMM CCCC[C@H](CC)[C@H](CC)OCC[P@](=O)([O-])O ZINC001224602232 816830784 /nfs/dbraw/zinc/83/07/84/816830784.db2.gz PDDRBKGVGQXQSI-RYUDHWBXSA-N -1 1 266.318 3.176 20 0 CGADMM O=[P@]([O-])(O)CCCCO[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001225018539 816932441 /nfs/dbraw/zinc/93/24/41/816932441.db2.gz AFJXZXKQQWPZLC-MELADBBJSA-N -1 1 290.340 3.320 20 0 CGADMM C[C@@H](OCCCC[P@](=O)([O-])O)c1c(F)cccc1F ZINC001225022411 816934894 /nfs/dbraw/zinc/93/48/94/816934894.db2.gz OUQVMEOKXWAHLR-SECBINFHSA-N -1 1 294.234 3.000 20 0 CGADMM CCC(CC)[C@@H](CC)OCCCC[P@](=O)([O-])O ZINC001225019440 816934957 /nfs/dbraw/zinc/93/49/57/816934957.db2.gz VXHONEFKVCOPPA-GFCCVEGCSA-N -1 1 266.318 3.176 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001225679405 817138013 /nfs/dbraw/zinc/13/80/13/817138013.db2.gz PMLWOIXQBZAQSE-CNDDSTCGSA-N -1 1 276.332 3.114 20 0 CGADMM O=c1cc(OC2CCCC2)nc(-c2ccccc2)[n-]1 ZINC001226184655 817292181 /nfs/dbraw/zinc/29/21/81/817292181.db2.gz IJVNWFNPWIMCLA-UHFFFAOYSA-N -1 1 256.305 3.171 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@@H](C)c2ccc(F)cc2)c1Cl ZINC001227111392 817560692 /nfs/dbraw/zinc/56/06/92/817560692.db2.gz KWDIERPWWAQINB-QMMMGPOBSA-N -1 1 282.702 3.423 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1C[C@H](C)CC[C@@H]1C ZINC001227169382 817578565 /nfs/dbraw/zinc/57/85/65/817578565.db2.gz SNNUUSNWPLRARM-BFQNTYOBSA-N -1 1 292.375 3.425 20 0 CGADMM COc1ccc([C@@H](C)Oc2[n-]c(=S)ncc2F)cc1 ZINC001227383098 817636560 /nfs/dbraw/zinc/63/65/60/817636560.db2.gz JRYDSXULULNLLI-MRVPVSSYSA-N -1 1 280.324 3.053 20 0 CGADMM Cc1cccc2c1[C@H](Oc1[n-]c(=S)ncc1F)CC2 ZINC001227384466 817637333 /nfs/dbraw/zinc/63/73/33/817637333.db2.gz ADOXEIFKDWRQQA-LLVKDONJSA-N -1 1 276.336 3.279 20 0 CGADMM Cc1ccc(-c2cc3nc[nH]c3cc2F)cc1C(=O)[O-] ZINC001243195857 823285336 /nfs/dbraw/zinc/28/53/36/823285336.db2.gz DHCDANRLARKGQL-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM Cc1ccc(-c2cc(F)c3c(c2)CN(C)CC3)cc1C(=O)[O-] ZINC001243198376 823286615 /nfs/dbraw/zinc/28/66/15/823286615.db2.gz GXEVHZXDMKMKLI-UHFFFAOYSA-N -1 1 299.345 3.487 20 0 CGADMM CSc1nc(O[C@H](C)c2ccccc2C)cc(=O)[n-]1 ZINC001228090884 817808768 /nfs/dbraw/zinc/80/87/68/817808768.db2.gz PTMKBOLHIWOJOG-SNVBAGLBSA-N -1 1 276.361 3.353 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCC(F)(F)C1 ZINC001228554962 817937054 /nfs/dbraw/zinc/93/70/54/817937054.db2.gz ORZFVIUITRDNCY-SECBINFHSA-N -1 1 286.274 3.257 20 0 CGADMM S=c1nc2ccccc2c(O[C@H]2C[C@H]3C=C[C@@H]2C3)[n-]1 ZINC001228763436 818001269 /nfs/dbraw/zinc/00/12/69/818001269.db2.gz AMDYUEOJWRGXAO-CWSCBRNRSA-N -1 1 270.357 3.262 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)nc2ccccc21)c1cccnc1 ZINC001228759931 818002102 /nfs/dbraw/zinc/00/21/02/818002102.db2.gz HJHCPNKHWZQFKH-SNVBAGLBSA-N -1 1 283.356 3.454 20 0 CGADMM [O-]c1cccnc1-c1ncccc1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001231199545 818056830 /nfs/dbraw/zinc/05/68/30/818056830.db2.gz DOBOZSKJIJGSMF-YWPYICTPSA-N -1 1 280.327 3.193 20 0 CGADMM O=C1CCN(Cc2ccc(Cl)c([O-])c2)[C@H]2CCCC[C@H]12 ZINC001231733451 818162047 /nfs/dbraw/zinc/16/20/47/818162047.db2.gz UWOAAXVVIRBVOV-JSGCOSHPSA-N -1 1 293.794 3.379 20 0 CGADMM [S-]c1ccc(CN2CCc3cc4c(cc3C2)OCO4)cc1 ZINC001233259108 818558733 /nfs/dbraw/zinc/55/87/33/818558733.db2.gz GVXJAOIPCSTLLH-UHFFFAOYSA-N -1 1 299.395 3.262 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1CCn2ccnc21 ZINC001233647859 818668863 /nfs/dbraw/zinc/66/88/63/818668863.db2.gz PRZRNPPDYYJNRD-CQSZACIVSA-N -1 1 286.331 3.095 20 0 CGADMM O=C1Nc2cc(-c3ccc([O-])c(F)c3F)ccc2C12CC2 ZINC001243341353 823356071 /nfs/dbraw/zinc/35/60/71/823356071.db2.gz OOIJTEUHZHKJOK-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM CCCCC[C@@H](CCC)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233760722 818699323 /nfs/dbraw/zinc/69/93/23/818699323.db2.gz XBIABPCNKNXSQW-LLVKDONJSA-N -1 1 296.367 3.097 20 0 CGADMM O=C1OCc2ccc(-c3ccc([O-])c(F)c3F)cc21 ZINC001243342650 823356966 /nfs/dbraw/zinc/35/69/66/823356966.db2.gz MZZXQECFPZAIHO-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM COC(=O)c1cccc(C)c1-c1ccc([O-])c(F)c1F ZINC001243342110 823358040 /nfs/dbraw/zinc/35/80/40/823358040.db2.gz CGJOMNPAIFJYEG-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM [O-]c1ccc(-c2cnc3[nH]cc(F)c3c2)c(F)c1F ZINC001243343524 823359399 /nfs/dbraw/zinc/35/93/99/823359399.db2.gz ZOQMQTYPAUCJPQ-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM CC[C@@H](Oc1nc2c(cccc2C(=O)OC)[n-]1)C(C)C ZINC001234043643 818765898 /nfs/dbraw/zinc/76/58/98/818765898.db2.gz GPFICOKAMZVVRZ-GFCCVEGCSA-N -1 1 276.336 3.163 20 0 CGADMM CC[C@@H](Oc1nc2cccc(C(=O)OC)c2[n-]1)C(C)C ZINC001234043643 818765907 /nfs/dbraw/zinc/76/59/07/818765907.db2.gz GPFICOKAMZVVRZ-GFCCVEGCSA-N -1 1 276.336 3.163 20 0 CGADMM CC[C@H](C)[C@H](C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234045397 818766083 /nfs/dbraw/zinc/76/60/83/818766083.db2.gz UEUPZOYAYGSFLD-UWVGGRQHSA-N -1 1 276.336 3.163 20 0 CGADMM CC[C@H](C)[C@H](C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234045397 818766088 /nfs/dbraw/zinc/76/60/88/818766088.db2.gz UEUPZOYAYGSFLD-UWVGGRQHSA-N -1 1 276.336 3.163 20 0 CGADMM CN(C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)cc1F ZINC001236064166 819296330 /nfs/dbraw/zinc/29/63/30/819296330.db2.gz MHJMCUCDYHGLCF-UHFFFAOYSA-N -1 1 273.307 3.253 20 0 CGADMM Cc1ccc(F)c(-c2cncc(C(F)(F)F)n2)c1[O-] ZINC001236389065 819445911 /nfs/dbraw/zinc/44/59/11/819445911.db2.gz AEMUDZRXPJVSMW-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM CSc1cc(-c2c(F)ccc(C)c2[O-])nc(C)n1 ZINC001236392080 819447215 /nfs/dbraw/zinc/44/72/15/819447215.db2.gz LDDGBCMZKSYTLM-UHFFFAOYSA-N -1 1 264.325 3.327 20 0 CGADMM Cc1ccc(F)c(-c2cc3c(nn2)CCCC3)c1[O-] ZINC001236390681 819447608 /nfs/dbraw/zinc/44/76/08/819447608.db2.gz GOTBTABZIWVPSC-UHFFFAOYSA-N -1 1 258.296 3.176 20 0 CGADMM Cc1cc2nc(C)nc(-c3c(F)ccc(C)c3[O-])c2[nH]1 ZINC001236393928 819448612 /nfs/dbraw/zinc/44/86/12/819448612.db2.gz YYJVLJYELKGORB-UHFFFAOYSA-N -1 1 271.295 3.395 20 0 CGADMM Cc1ccc(F)c(-c2ccnc(-c3nccs3)n2)c1[O-] ZINC001236402848 819452331 /nfs/dbraw/zinc/45/23/31/819452331.db2.gz OUIKIRKFHKMGFO-UHFFFAOYSA-N -1 1 287.319 3.420 20 0 CGADMM Cn1ccc2cc(-c3cc(F)cc(F)c3[O-])ccc2c1=O ZINC001243501816 823421927 /nfs/dbraw/zinc/42/19/27/823421927.db2.gz CIZNXOUZNDRNBV-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc2c(c1)OCCCO2 ZINC001243504216 823422861 /nfs/dbraw/zinc/42/28/61/823422861.db2.gz KKFOORLIDFVBGX-UHFFFAOYSA-N -1 1 278.254 3.499 20 0 CGADMM O=c1ccc2ccc(-c3cc(F)cc(F)c3[O-])cc2o1 ZINC001243505375 823423214 /nfs/dbraw/zinc/42/32/14/823423214.db2.gz RNSKXARKANOEKZ-UHFFFAOYSA-N -1 1 274.222 3.444 20 0 CGADMM CCOC(=O)c1cnc(C)c(-c2cc(F)cc(F)c2[O-])c1 ZINC001243504978 823423308 /nfs/dbraw/zinc/42/33/08/823423308.db2.gz CNPJBRWPPYQZCP-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COc1cccc(-c2cc(F)cc(F)c2[O-])c1F ZINC001243506397 823423847 /nfs/dbraw/zinc/42/38/47/823423847.db2.gz UZZAVZJKSFUYDJ-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CCOC(=O)c1c(F)cncc1-c1cc(F)cc(F)c1[O-] ZINC001243506419 823423933 /nfs/dbraw/zinc/42/39/33/823423933.db2.gz VORNMMLRTPWMMS-UHFFFAOYSA-N -1 1 297.232 3.048 20 0 CGADMM COC(=O)c1cc(F)cc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243505843 823424074 /nfs/dbraw/zinc/42/40/74/823424074.db2.gz LIXYSIDOVHRCOV-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM Cc1nc2c(-c3ccc(Cl)c([O-])c3)cccn2n1 ZINC001243577844 823452014 /nfs/dbraw/zinc/45/20/14/823452014.db2.gz GUOJCYNAEAQFON-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM COc1ccc(-c2ccc(Cl)c([O-])c2)nc1OC ZINC001243579269 823452834 /nfs/dbraw/zinc/45/28/34/823452834.db2.gz RMLOYBRWYZVEIG-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM [O-]c1cc(-c2ccc(Cn3ccnc3)cn2)ccc1Cl ZINC001243578931 823452951 /nfs/dbraw/zinc/45/29/51/823452951.db2.gz MSRWIKWFHNYSJI-UHFFFAOYSA-N -1 1 285.734 3.352 20 0 CGADMM COc1nc(OC)c(-c2ccc(Cl)c([O-])c2)cc1C ZINC001243581089 823454015 /nfs/dbraw/zinc/45/40/15/823454015.db2.gz AZDLLBHAMWXZLG-UHFFFAOYSA-N -1 1 279.723 3.433 20 0 CGADMM [O-]c1cc(-c2cncc3nccnc32)ccc1Cl ZINC001243581683 823454277 /nfs/dbraw/zinc/45/42/77/823454277.db2.gz RBVPESSRYYSIRV-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM [O-]c1cc(-c2cc3n[nH]nc3cc2F)ccc1Cl ZINC001243581265 823454413 /nfs/dbraw/zinc/45/44/13/823454413.db2.gz NRPZAVGZULCCGT-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM Cc1cc(C)c(-c2ccc(C(F)(F)F)cc2[O-])nn1 ZINC001243609370 823466268 /nfs/dbraw/zinc/46/62/68/823466268.db2.gz QAQIFBJFSQWUBX-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM CCc1cc(-c2ccc(C(F)(F)F)cc2[O-])ncn1 ZINC001243610350 823466446 /nfs/dbraw/zinc/46/64/46/823466446.db2.gz IXIWEKVGYLMCQK-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(F)cc(F)c3)ccc2[n-]1 ZINC001239655176 820492249 /nfs/dbraw/zinc/49/22/49/820492249.db2.gz HHQUGIXUQADTLK-UHFFFAOYSA-N -1 1 288.253 3.295 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(F)cc(F)c3)cc2[n-]1 ZINC001239655176 820492251 /nfs/dbraw/zinc/49/22/51/820492251.db2.gz HHQUGIXUQADTLK-UHFFFAOYSA-N -1 1 288.253 3.295 20 0 CGADMM [O-]c1ccc(F)cc1-c1ncccc1OC(F)F ZINC001240693362 821250361 /nfs/dbraw/zinc/25/03/61/821250361.db2.gz PCRJHXZPYGTJPD-UHFFFAOYSA-N -1 1 255.195 3.195 20 0 CGADMM [O-]c1ccc(F)cc1-c1cc(OC(F)F)ccn1 ZINC001240693417 821250348 /nfs/dbraw/zinc/25/03/48/821250348.db2.gz QMKHJHRFYCDLDB-UHFFFAOYSA-N -1 1 255.195 3.195 20 0 CGADMM [O-]c1ccc(F)cc1-c1nnc2c(c1C(F)(F)F)CCC2 ZINC001240695722 821252215 /nfs/dbraw/zinc/25/22/15/821252215.db2.gz OSMTZWJKGRFJLN-UHFFFAOYSA-N -1 1 298.239 3.496 20 0 CGADMM Cc1cc2nc(C)nc(-c3ccc([O-])c(F)c3)c2[nH]1 ZINC001240782998 821320801 /nfs/dbraw/zinc/32/08/01/821320801.db2.gz MKAAVAVBVAKLCC-UHFFFAOYSA-N -1 1 257.268 3.086 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(C)c(OC)c3)ccc2[n-]1 ZINC001241033173 821508722 /nfs/dbraw/zinc/50/87/22/821508722.db2.gz GDIODJPIWSDJII-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(C)c(OC)c3)cc2[n-]1 ZINC001241033173 821508727 /nfs/dbraw/zinc/50/87/27/821508727.db2.gz GDIODJPIWSDJII-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM CC(C)OC(=O)c1cccnc1-c1c(F)cc([O-])cc1F ZINC001241119450 821574440 /nfs/dbraw/zinc/57/44/40/821574440.db2.gz OHFGFJRNBVTRMU-UHFFFAOYSA-N -1 1 293.269 3.298 20 0 CGADMM Cc1noc(-c2ccnc(-c3c(F)cc([O-])cc3F)c2)n1 ZINC001241120211 821575321 /nfs/dbraw/zinc/57/53/21/821575321.db2.gz NJGIYGNEYKRADV-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM [O-]c1cc(F)c(-c2cnc(N3CCCCC3)nc2)c(F)c1 ZINC001241120715 821576118 /nfs/dbraw/zinc/57/61/18/821576118.db2.gz HYHSCCVSUTVCCI-UHFFFAOYSA-N -1 1 291.301 3.118 20 0 CGADMM O=C1CCc2cc(-c3c(F)cc([O-])cc3F)ccc2N1 ZINC001241122700 821580071 /nfs/dbraw/zinc/58/00/71/821580071.db2.gz VWKCEYFKYUANLG-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM CN1Cc2cccc(-c3c(F)cc([O-])cc3F)c2NC1=O ZINC001241124162 821581248 /nfs/dbraw/zinc/58/12/48/821581248.db2.gz CADYNWXNWFFENQ-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM CCc1nc(OC)ccc1-c1c(F)cc([O-])cc1F ZINC001241124736 821581929 /nfs/dbraw/zinc/58/19/29/821581929.db2.gz LPECCNXNBRMXEG-UHFFFAOYSA-N -1 1 265.259 3.303 20 0 CGADMM COCc1cc(OC)ccc1-c1c(F)cc([O-])cc1F ZINC001241125020 821581972 /nfs/dbraw/zinc/58/19/72/821581972.db2.gz PITDXJMQEPQIEO-UHFFFAOYSA-N -1 1 280.270 3.492 20 0 CGADMM [O-]c1cc(F)cc(-c2nccc(-c3cccnc3)n2)c1 ZINC001241255678 821675556 /nfs/dbraw/zinc/67/55/56/821675556.db2.gz AABYUCWQSSNGNE-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM CN(C)c1nc(-c2cc([O-])cc(F)c2)nc2ccccc21 ZINC001241262749 821682303 /nfs/dbraw/zinc/68/23/03/821682303.db2.gz SELWTGZJRHMBHU-UHFFFAOYSA-N -1 1 283.306 3.208 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3cccc(F)c32)c1F ZINC001241289101 821706055 /nfs/dbraw/zinc/70/60/55/821706055.db2.gz KVTBWHKQSLQBJA-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc3scnc32)c1F ZINC001241289040 821706257 /nfs/dbraw/zinc/70/62/57/821706257.db2.gz ICRDSXSEFRSXDW-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM CC(C)(C)Oc1ccc(-c2c(F)ccc([O-])c2F)nn1 ZINC001241290934 821707767 /nfs/dbraw/zinc/70/77/67/821707767.db2.gz RFYMMFLCGZZZRQ-UHFFFAOYSA-N -1 1 280.274 3.305 20 0 CGADMM O=C([O-])c1ccc(-c2cc3[nH]nnc3cc2F)cc1Cl ZINC001241350580 821753256 /nfs/dbraw/zinc/75/32/56/821753256.db2.gz WAMRWGSPVRFBDX-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM Clc1ccc(C=Cc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001241587620 821973091 /nfs/dbraw/zinc/97/30/91/821973091.db2.gz VGDUKXUJMFDFSI-OWOJBTEDSA-N -1 1 283.722 3.086 20 0 CGADMM Clc1ccc(C=Cc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001241587620 821973097 /nfs/dbraw/zinc/97/30/97/821973097.db2.gz VGDUKXUJMFDFSI-OWOJBTEDSA-N -1 1 283.722 3.086 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1nccc2nccnc21 ZINC001242131153 822888656 /nfs/dbraw/zinc/88/86/56/822888656.db2.gz DVAPYMBEIIFJNS-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM COc1nc(C)nc(-c2cc(C(F)(F)F)ccc2[O-])c1C ZINC001242134030 822889213 /nfs/dbraw/zinc/88/92/13/822889213.db2.gz PANPOAMQBKNSGT-UHFFFAOYSA-N -1 1 298.264 3.493 20 0 CGADMM Cc1cnnc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242148054 822894052 /nfs/dbraw/zinc/89/40/52/822894052.db2.gz KLKVWRVKHJKYJH-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM O=c1occcc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242166813 822900906 /nfs/dbraw/zinc/90/09/06/822900906.db2.gz ZMRJFSIFKSJIPG-UHFFFAOYSA-N -1 1 256.179 3.031 20 0 CGADMM COc1cc(OC)c(-c2ccc(F)cc2[O-])c(OC)c1 ZINC001242220603 822916609 /nfs/dbraw/zinc/91/66/09/822916609.db2.gz GYVQVQALFJNXAU-UHFFFAOYSA-N -1 1 278.279 3.224 20 0 CGADMM COC(=O)c1ccc(N)c(-c2cccc(Cl)c2[O-])c1 ZINC001242364106 822968441 /nfs/dbraw/zinc/96/84/41/822968441.db2.gz CBFPQZSSTDDYLT-UHFFFAOYSA-N -1 1 277.707 3.081 20 0 CGADMM NC(=O)Nc1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242366250 822968738 /nfs/dbraw/zinc/96/87/38/822968738.db2.gz ICCAHMWQARSMEP-UHFFFAOYSA-N -1 1 262.696 3.203 20 0 CGADMM O=c1ocnc2ccc(-c3cccc(Cl)c3[O-])cc12 ZINC001242367081 822969522 /nfs/dbraw/zinc/96/95/22/822969522.db2.gz WJVKXEVLURXBLF-UHFFFAOYSA-N -1 1 273.675 3.214 20 0 CGADMM Cc1c(-c2cccc(Cl)c2[O-])ccc2c1NC(=O)CO2 ZINC001242366877 822969623 /nfs/dbraw/zinc/96/96/23/822969623.db2.gz CEXFTRKCLGMBEI-UHFFFAOYSA-N -1 1 289.718 3.352 20 0 CGADMM CON(C)C(=O)c1ccccc1-c1cccc(Cl)c1[O-] ZINC001242367026 822969757 /nfs/dbraw/zinc/96/97/57/822969757.db2.gz HHHDLLBDRRAYFT-UHFFFAOYSA-N -1 1 291.734 3.346 20 0 CGADMM Cc1cc(-c2cccc(Cl)c2[O-])ccc1C(N)=O ZINC001242367838 822970060 /nfs/dbraw/zinc/97/00/60/822970060.db2.gz UKSSUWZAAQDQJD-UHFFFAOYSA-N -1 1 261.708 3.120 20 0 CGADMM COC[C@H]([N-]c1nc(C(C)C)no1)c1ccc(F)cc1 ZINC001339872735 936389188 /nfs/dbraw/zinc/38/91/88/936389188.db2.gz QWQPGKWFXMVMBS-LBPRGKRZSA-N -1 1 279.315 3.132 20 0 CGADMM CC(C)C(C)(C)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000232654184 928207298 /nfs/dbraw/zinc/20/72/98/928207298.db2.gz UNSLYLYPZGITCG-UHFFFAOYSA-N -1 1 269.772 3.458 20 0 CGADMM C[C@H](c1cccnc1)N(C)Cc1ccc([O-])c(F)c1F ZINC001560745651 937237020 /nfs/dbraw/zinc/23/70/20/937237020.db2.gz VWCNCWJMXVDEKU-SNVBAGLBSA-N -1 1 278.302 3.258 20 0 CGADMM Cc1nc(SC[C@@H]2CCCC[C@@H]2O)[n-]c(=O)c1C1CC1 ZINC001421434790 937246710 /nfs/dbraw/zinc/24/67/10/937246710.db2.gz BPHYBLDDTKTTDZ-RYUDHWBXSA-N -1 1 294.420 3.011 20 0 CGADMM O=C(Nc1cccc(N2CCCCC2)c1)c1ccc([O-])cn1 ZINC001442254401 937341644 /nfs/dbraw/zinc/34/16/44/937341644.db2.gz RCZKFZOPGOAJHF-UHFFFAOYSA-N -1 1 297.358 3.030 20 0 CGADMM CC(C)(C)C1CCC(CNC(=O)c2ncccc2[O-])CC1 ZINC001445599394 937358546 /nfs/dbraw/zinc/35/85/46/937358546.db2.gz JHCPFBHXSLFHKA-UHFFFAOYSA-N -1 1 290.407 3.370 20 0 CGADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ncc2ccccc2c1[O-] ZINC001449282395 937378836 /nfs/dbraw/zinc/37/88/36/937378836.db2.gz YREIDESKZVLCKQ-VXGBXAGGSA-N -1 1 298.386 3.495 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CC[C@@H](C2CCCC2)C1 ZINC001451827406 937392737 /nfs/dbraw/zinc/39/27/37/937392737.db2.gz WKESOFXTZNZNOI-GFCCVEGCSA-N -1 1 277.339 3.184 20 0 CGADMM O=C(N[C@@H](C1CCC1)C1CCCCC1)c1ccc([O-])cn1 ZINC001452183817 937394512 /nfs/dbraw/zinc/39/45/12/937394512.db2.gz HQAKZYIHMQFHDS-MRXNPFEDSA-N -1 1 288.391 3.266 20 0 CGADMM CNc1ccc(Cl)c(C(=O)Nc2c([O-])cccc2F)c1 ZINC001453018884 937400139 /nfs/dbraw/zinc/40/01/39/937400139.db2.gz UUFWZUAQYGJFPB-UHFFFAOYSA-N -1 1 294.713 3.479 20 0 CGADMM O=C(NC1(C2CCCCC2)CC1)c1ccc([O-])c(F)c1 ZINC001456984062 937437406 /nfs/dbraw/zinc/43/74/06/937437406.db2.gz MYKPOYLCIKLZJU-UHFFFAOYSA-N -1 1 277.339 3.374 20 0 CGADMM C[C@@H](Oc1cc([O-])cc2oc(=O)ccc12)C1CCCC1 ZINC001229133840 932103143 /nfs/dbraw/zinc/10/31/43/932103143.db2.gz BSJWCQXRVOLIID-SNVBAGLBSA-N -1 1 274.316 3.456 20 0 CGADMM COc1cc2ccc(=O)oc2c(O[C@@H](C)C2CCC2)c1[O-] ZINC001229218025 932117314 /nfs/dbraw/zinc/11/73/14/932117314.db2.gz IQNQDWSGFPXBGS-VIFPVBQESA-N -1 1 290.315 3.075 20 0 CGADMM CC[C@H](C)[C@H](C)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229216728 932117421 /nfs/dbraw/zinc/11/74/21/932117421.db2.gz UFBLGWYZFLXKBA-UWVGGRQHSA-N -1 1 292.331 3.321 20 0 CGADMM [O-]c1cc(O[C@H]2CCOC[C@@H]2F)c(Cl)cc1Cl ZINC001229406445 932145935 /nfs/dbraw/zinc/14/59/35/932145935.db2.gz VIJWZLGNPNDYBQ-WPRPVWTQSA-N -1 1 281.110 3.205 20 0 CGADMM COC(=O)c1c[n-]c(O[C@@H](C)c2csc(Cl)c2)n1 ZINC001230279684 932550916 /nfs/dbraw/zinc/55/09/16/932550916.db2.gz HKCRLYPWSPIVOY-LURJTMIESA-N -1 1 286.740 3.051 20 0 CGADMM Cc1ccc2c(c1)nc(=O)[nH]c2O[C@@H](C)C1=CC=C[CH]1 ZINC001230888066 932636227 /nfs/dbraw/zinc/63/62/27/932636227.db2.gz JIWGSSOSWLFUJI-NSHDSACASA-N -1 1 267.308 3.112 20 0 CGADMM COc1cccc([C@@H](C)NC(=O)c2cccc([O-])c2F)c1 ZINC001464060258 937685375 /nfs/dbraw/zinc/68/53/75/937685375.db2.gz YCEVFNMKXBFVRD-SNVBAGLBSA-N -1 1 289.306 3.031 20 0 CGADMM O=C(Nc1ccc2scnc2c1)c1ccc([O-])cc1F ZINC001464677147 937694287 /nfs/dbraw/zinc/69/42/87/937694287.db2.gz YYJMVWKHZOCTKR-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM CC1(C)CCCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001465513308 937701307 /nfs/dbraw/zinc/70/13/07/937701307.db2.gz IFIXUHBJOJUDTF-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM C[C@@H](NC(=O)c1cccc([O-])c1F)[C@H](C)c1ccccc1 ZINC001465598135 937701882 /nfs/dbraw/zinc/70/18/82/937701882.db2.gz KASJXWVZVBVUNW-NWDGAFQWSA-N -1 1 287.334 3.453 20 0 CGADMM C[C@@H](C(=O)[N-]OCc1ccccc1)c1ccc(F)c(F)c1 ZINC001319144250 933832029 /nfs/dbraw/zinc/83/20/29/933832029.db2.gz APDYCUTUDHUUNO-LLVKDONJSA-N -1 1 291.297 3.316 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2c([O-])cccc2F)[C@H]1C ZINC001467612681 937719455 /nfs/dbraw/zinc/71/94/55/937719455.db2.gz PSZGBDUNYDJCJS-GRYCIOLGSA-N -1 1 279.355 3.333 20 0 CGADMM CCOc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001467999785 937723775 /nfs/dbraw/zinc/72/37/75/937723775.db2.gz QGDXIDUSGHCPLU-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM Cc1ccc([C@@H](C)C(=O)Nc2cc([O-])c(F)cc2F)o1 ZINC001468747026 937731414 /nfs/dbraw/zinc/73/14/14/937731414.db2.gz ATHCMSZDDTXYLN-MRVPVSSYSA-N -1 1 281.258 3.314 20 0 CGADMM CC[C@H](C)[C@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001469159117 937735908 /nfs/dbraw/zinc/73/59/08/937735908.db2.gz AIUKUZOFLSSRHT-YUMQZZPRSA-N -1 1 257.280 3.291 20 0 CGADMM COc1cc(C)ccc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001469162220 937736127 /nfs/dbraw/zinc/73/61/27/937736127.db2.gz UAORIVHHGJKWCW-UHFFFAOYSA-N -1 1 293.269 3.240 20 0 CGADMM Cc1cc(C(=O)Nc2cc(F)cc(F)c2[O-])oc1C ZINC001469161403 937735826 /nfs/dbraw/zinc/73/58/26/937735826.db2.gz NUJFBOXGPSBNJT-UHFFFAOYSA-N -1 1 267.231 3.133 20 0 CGADMM Cc1ccc(CC(=O)Nc2cccc(F)c2[O-])c(Cl)n1 ZINC001471170100 937762023 /nfs/dbraw/zinc/76/20/23/937762023.db2.gz ZHGZKXQHSNYLSG-UHFFFAOYSA-N -1 1 294.713 3.069 20 0 CGADMM O=C(/C=C/c1cccc(F)c1)Nc1cccc(F)c1[O-] ZINC001471168157 937762030 /nfs/dbraw/zinc/76/20/30/937762030.db2.gz MITDKKMOJXEBTH-BQYQJAHWSA-N -1 1 275.254 3.322 20 0 CGADMM Cc1ccc(F)c(CC(=O)Nc2cccc(F)c2[O-])c1 ZINC001471168800 937762152 /nfs/dbraw/zinc/76/21/52/937762152.db2.gz SEOWTTODGUZKCA-UHFFFAOYSA-N -1 1 277.270 3.160 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001329559194 935227435 /nfs/dbraw/zinc/22/74/35/935227435.db2.gz YMHOBKZZTGDGKG-HRDYMLBCSA-N -1 1 285.265 3.151 20 0 CGADMM O=c1ccn(-c2ccc(NCc3ccsc3)cc2)[n-]1 ZINC001474229341 937845183 /nfs/dbraw/zinc/84/51/83/937845183.db2.gz QDAQUTLMHXDDRN-UHFFFAOYSA-N -1 1 271.345 3.252 20 0 CGADMM CCCN(Cc1ccc([O-])c(F)c1F)CC(F)(F)F ZINC001474382464 937856227 /nfs/dbraw/zinc/85/62/27/937856227.db2.gz KHQIFNKCAWYIAR-UHFFFAOYSA-N -1 1 283.240 3.445 20 0 CGADMM O=C(Nc1cccc2cccnc21)c1cccc([O-])c1F ZINC001538495481 938118260 /nfs/dbraw/zinc/11/82/60/938118260.db2.gz UHAAGGRNAXNOCI-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1)c1ccc(F)c([O-])c1 ZINC001538689548 938120066 /nfs/dbraw/zinc/12/00/66/938120066.db2.gz SDQALAIVVZLYOV-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM Cc1ccccc1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001540374841 938130677 /nfs/dbraw/zinc/13/06/77/938130677.db2.gz PSVRIFIGIRXROT-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM CC(C)CCN(C(=O)c1ccc([O-])cn1)C1CCCC1 ZINC001544221647 938144021 /nfs/dbraw/zinc/14/40/21/938144021.db2.gz SZVGRYZOCIUNRO-UHFFFAOYSA-N -1 1 276.380 3.218 20 0 CGADMM CCC[C@H](CCc1ccccc1)NC(=O)c1ncccc1[O-] ZINC001544516913 938145527 /nfs/dbraw/zinc/14/55/27/938145527.db2.gz GUPJLSFLJUGHHZ-OAHLLOKOSA-N -1 1 298.386 3.319 20 0 CGADMM Cc1cccc2ccnc(N[C@@H]3C[C@@H]4C[C@@H](C(=O)[O-])C[C@H]34)c12 ZINC001551457058 938182036 /nfs/dbraw/zinc/18/20/36/938182036.db2.gz YYSVIJGFXPJLJG-LJISPDSOSA-N -1 1 296.370 3.454 20 0 CGADMM O=C(NCCC1Cc2ccccc2C1)c1cc(F)ccc1[O-] ZINC001556201171 938202439 /nfs/dbraw/zinc/20/24/39/938202439.db2.gz PFYCYAFCKUXCDV-UHFFFAOYSA-N -1 1 299.345 3.066 20 0 CGADMM CC(C)(CC1CCCCCC1)NC(=O)c1cnncc1[O-] ZINC001556225279 938202497 /nfs/dbraw/zinc/20/24/97/938202497.db2.gz DSYQVKLQQWNWJC-UHFFFAOYSA-N -1 1 291.395 3.051 20 0 CGADMM C[C@H](NC(=O)c1ncccc1[O-])c1ccc(F)cc1Cl ZINC001556751761 938205358 /nfs/dbraw/zinc/20/53/58/938205358.db2.gz NIKSWPRWCLNEFH-QMMMGPOBSA-N -1 1 294.713 3.071 20 0 CGADMM O=C(N[C@H]1CCCCC12CCCC2)c1ccc([O-])cn1 ZINC001556819752 938205881 /nfs/dbraw/zinc/20/58/81/938205881.db2.gz CCSCCZJWTDLUHR-AWEZNQCLSA-N -1 1 274.364 3.020 20 0 CGADMM C[C@@H](CC(C)(C)C)NC(=O)c1ccc(F)c([O-])c1 ZINC001556940165 938206653 /nfs/dbraw/zinc/20/66/53/938206653.db2.gz GOYDSDLYBDKJFY-VIFPVBQESA-N -1 1 253.317 3.086 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2cccc([O-])c2F)cc1C ZINC001557022836 938207375 /nfs/dbraw/zinc/20/73/75/938207375.db2.gz ABRYYAFVSHWGSP-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccc(F)s1 ZINC001557087233 938207779 /nfs/dbraw/zinc/20/77/79/938207779.db2.gz ZESGLXKOHRGCQO-UHFFFAOYSA-N -1 1 273.235 3.123 20 0 CGADMM Cc1cc(F)c(CNC(=O)c2cccc([O-])c2F)c(F)c1 ZINC001558511708 938215808 /nfs/dbraw/zinc/21/58/08/938215808.db2.gz XEEQXDYDHIUPSE-UHFFFAOYSA-N -1 1 295.260 3.048 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@@H]2CC3CCC2CC3)n1 ZINC001559400486 938226133 /nfs/dbraw/zinc/22/61/33/938226133.db2.gz GRYVHRUBMPJCDX-ILDUYXDCSA-N -1 1 280.393 3.115 20 0 CGADMM O=C([O-])c1ccccc1CNCc1sccc1Cl ZINC001595255809 949607387 /nfs/dbraw/zinc/60/73/87/949607387.db2.gz XHKKRIWAICDMCP-UHFFFAOYSA-N -1 1 281.764 3.390 20 0 CGADMM Cc1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1F ZINC000384595113 971937187 /nfs/dbraw/zinc/93/71/87/971937187.db2.gz DYXJRKBFTQIZOQ-HNNXBMFYSA-N -1 1 273.307 3.050 20 0 CGADMM CC[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC000026440450 957161847 /nfs/dbraw/zinc/16/18/47/957161847.db2.gz ICOKWUDDGAMJON-VIFPVBQESA-N -1 1 270.741 3.172 20 0 CGADMM Cc1ccc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])s1 ZINC000086806367 957993124 /nfs/dbraw/zinc/99/31/24/957993124.db2.gz JEHUJAPBPJTWAF-OAHLLOKOSA-N -1 1 287.384 3.241 20 0 CGADMM C[C@@H](NCc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1 ZINC000094760149 958306110 /nfs/dbraw/zinc/30/61/10/958306110.db2.gz NKRXTHCLMZPPLN-SNVBAGLBSA-N -1 1 290.750 3.284 20 0 CGADMM COc1cc2c(cc1Cl)nc(C(F)(F)F)[n-]c2=O ZINC001585337402 960489778 /nfs/dbraw/zinc/48/97/78/960489778.db2.gz GEMJDXWOXRCSDE-UHFFFAOYSA-N -1 1 278.617 3.016 20 0 CGADMM CC[C@@H](Sc1nc(C)c(-c2ccccc2)[nH]1)C(=O)[O-] ZINC001595358414 960529823 /nfs/dbraw/zinc/52/98/23/960529823.db2.gz DZSXFUTZIFOXTP-LLVKDONJSA-N -1 1 276.361 3.340 20 0 CGADMM Cc1ncc(C(=O)Nc2cc(F)c([O-])cc2Cl)s1 ZINC001598583035 960539086 /nfs/dbraw/zinc/53/90/86/960539086.db2.gz UWDZBKRUMWPDDQ-UHFFFAOYSA-N -1 1 286.715 3.202 20 0 CGADMM CCCCN(CCCC)CC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001595745275 960540067 /nfs/dbraw/zinc/54/00/67/960540067.db2.gz XNFLOYSCQNTZSH-UHFFFAOYSA-N -1 1 294.395 3.106 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC[C@H]1c1cccc(F)c1 ZINC001566079270 960883637 /nfs/dbraw/zinc/88/36/37/960883637.db2.gz NOFCAQOOHMQTLO-HNNXBMFYSA-N -1 1 289.281 3.258 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)c([O-])c1 ZINC001566882966 961046105 /nfs/dbraw/zinc/04/61/05/961046105.db2.gz DFCRRIWHEBGZEU-WBMJQRKESA-N -1 1 296.370 3.149 20 0 CGADMM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cccc([O-])c1F ZINC001567718891 961416432 /nfs/dbraw/zinc/41/64/32/961416432.db2.gz MDIOQRJRPRVBLI-SECBINFHSA-N -1 1 293.260 3.238 20 0 CGADMM O=C([O-])c1ccc(CNCc2ccc(F)c(F)c2F)cc1 ZINC001574973284 962341840 /nfs/dbraw/zinc/34/18/40/962341840.db2.gz GGAVFQYUXSBRDW-UHFFFAOYSA-N -1 1 295.260 3.092 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cc(N)ccc2F)c1 ZINC001579393075 962626473 /nfs/dbraw/zinc/62/64/73/962626473.db2.gz MIANOCNJFRPOGW-UHFFFAOYSA-N -1 1 292.335 3.088 20 0 CGADMM O=C(/C=C\c1ccc(Cl)nc1)Nc1cccc(F)c1[O-] ZINC001587389715 962756283 /nfs/dbraw/zinc/75/62/83/962756283.db2.gz PYRWBWPWQQTZBB-ALCCZGGFSA-N -1 1 292.697 3.232 20 0 CGADMM CC[C@H](NC(=O)c1cc(Cl)ccc1[O-])[C@H]1CCCCO1 ZINC001583104838 962773869 /nfs/dbraw/zinc/77/38/69/962773869.db2.gz SIHAIWMFVBIXTH-GXTWGEPZSA-N -1 1 297.782 3.123 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cccc2cc(=O)[nH]cc21 ZINC001583971849 962871596 /nfs/dbraw/zinc/87/15/96/962871596.db2.gz NDRAMYHWZMRMAA-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM CSc1c(F)cccc1[N-]C(=O)c1ncc(Cl)cn1 ZINC001586052712 963067233 /nfs/dbraw/zinc/06/72/33/963067233.db2.gz XKBPBOGKEWWLCP-UHFFFAOYSA-N -1 1 297.742 3.243 20 0 CGADMM CC(C)[C@H](NC(=O)c1ccc(F)c([O-])c1)c1ccccn1 ZINC001586268720 963090084 /nfs/dbraw/zinc/09/00/84/963090084.db2.gz XNDCNACHPFIJIS-HNNXBMFYSA-N -1 1 288.322 3.053 20 0 CGADMM C[C@H](N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccns1 ZINC001589124261 963345574 /nfs/dbraw/zinc/34/55/74/963345574.db2.gz VFSTWJKEQAOKQF-TVYUQYBPSA-N -1 1 288.372 3.107 20 0 CGADMM CC(C)c1[nH]c(CN[C@H](C)c2cncs2)cc1C(=O)[O-] ZINC001591916116 976363462 /nfs/dbraw/zinc/36/34/62/976363462.db2.gz IVCOZWUHOQHUGB-SECBINFHSA-N -1 1 293.392 3.144 20 0 CGADMM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1cc2c(cn1)CCC2 ZINC001592445383 978112461 /nfs/dbraw/zinc/11/24/61/978112461.db2.gz LPWILMWEDUXZMN-NSHDSACASA-N -1 1 276.380 3.262 20 0 CGADMM C[C@@H](CC(C)(C)CC(=O)[O-])N[C@H]1CCCC1(F)F ZINC001592446802 978128057 /nfs/dbraw/zinc/12/80/57/978128057.db2.gz RLKYYGDEKUFULK-UWVGGRQHSA-N -1 1 263.328 3.043 20 0 CGADMM C[C@@](CCF)(NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC001592507693 978327706 /nfs/dbraw/zinc/32/77/06/978327706.db2.gz VGHYCBGPBDFAOY-INIZCTEOSA-N -1 1 291.322 3.239 20 0 CGADMM CCC(CC)(CC(=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC001595056845 979294593 /nfs/dbraw/zinc/29/45/93/979294593.db2.gz FDSXEVQMYOJNQJ-UHFFFAOYSA-N -1 1 282.384 3.095 20 0 CGADMM CC[C@H](NCc1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC001595299362 980426734 /nfs/dbraw/zinc/42/67/34/980426734.db2.gz QTIWVWAYUCNXQO-AWEZNQCLSA-N -1 1 277.295 3.358 20 0 CGADMM CC[C@@H](NCc1oncc1C(=O)[O-])c1ccc(C)c(F)c1 ZINC001595305975 980453648 /nfs/dbraw/zinc/45/36/48/980453648.db2.gz PMLZKHCUHYUIBD-CYBMUJFWSA-N -1 1 292.310 3.061 20 0 CGADMM CCCc1nc(C)cc(OCc2cccnc2)c1C(=O)[O-] ZINC001596089273 983411568 /nfs/dbraw/zinc/41/15/68/983411568.db2.gz GAVYGSCXPMYJRP-UHFFFAOYSA-N -1 1 286.331 3.015 20 0 CGADMM CCc1[nH]c(CNCc2ccccc2Cl)cc1C(=O)[O-] ZINC001597395381 987647399 /nfs/dbraw/zinc/64/73/99/987647399.db2.gz TXQCTAVUOWELJD-UHFFFAOYSA-N -1 1 292.766 3.219 20 0 CGADMM CCc1cccc(CNCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001597587007 988407925 /nfs/dbraw/zinc/40/79/25/988407925.db2.gz NKPIOHYZVZPVBA-HJWRWDBZSA-N -1 1 285.343 3.230 20 0 CGADMM CCc1oc(CN2CCC3(CC3(F)F)CC2)cc1C(=O)[O-] ZINC001597795895 989349205 /nfs/dbraw/zinc/34/92/05/989349205.db2.gz HAFVMGSOAQOCDX-UHFFFAOYSA-N -1 1 299.317 3.161 20 0 CGADMM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001593196319 994154575 /nfs/dbraw/zinc/15/45/75/994154575.db2.gz HHOXAGDZBQMJBH-MNOVXSKESA-N -1 1 259.305 3.390 20 0 CGADMM C[C@@H](N[C@H]1CCCc2occc21)c1cncc(C(=O)[O-])c1 ZINC001593219405 994299050 /nfs/dbraw/zinc/29/90/50/994299050.db2.gz NYMILYLQBDUOJM-YGRLFVJLSA-N -1 1 286.331 3.101 20 0 CGADMM C[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1ccsc1 ZINC001593295829 994692377 /nfs/dbraw/zinc/69/23/77/994692377.db2.gz HRDSYCVDPIMKSW-LWTINBJPSA-N -1 1 277.345 3.290 20 0 CGADMM C[C@H](c1c(F)cccc1F)N(C)CCC(C)(C)C(=O)[O-] ZINC001593687849 996128150 /nfs/dbraw/zinc/12/81/50/996128150.db2.gz UBXRAGKLGWAICS-SNVBAGLBSA-N -1 1 285.334 3.459 20 0 CGADMM C[C@]1(C2CCCCC2)CCN1Cc1nc(C(=O)[O-])cs1 ZINC001593992700 997274570 /nfs/dbraw/zinc/27/45/70/997274570.db2.gz NMCHSYGNQDLFBI-OAHLLOKOSA-N -1 1 294.420 3.386 20 0 CGADMM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(Cl)cc1[O-] ZINC000621053319 349454487 /nfs/dbraw/zinc/45/44/87/349454487.db2.gz AOJQGUPDFZTGDR-VIFPVBQESA-N -1 1 267.756 3.164 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC[C@H]1C1CC1 ZINC000651111805 398202761 /nfs/dbraw/zinc/20/27/61/398202761.db2.gz VDLSSEUOGXLULN-NSHDSACASA-N -1 1 285.265 3.036 20 0 CGADMM Cc1nc2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2o1 ZINC000350701747 219048851 /nfs/dbraw/zinc/04/88/51/219048851.db2.gz OZATYNYTQRUGMR-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM Cc1nc2cc(C(=O)Nc3ccc(F)cc3[O-])ccc2o1 ZINC000350699554 219050292 /nfs/dbraw/zinc/05/02/92/219050292.db2.gz HMBIUKWHFYYRNQ-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM O=S(=O)([N-]C1CC2(CCC2)C1)c1sccc1Cl ZINC000651920313 398307748 /nfs/dbraw/zinc/30/77/48/398307748.db2.gz GWZGFKILBYIBQR-UHFFFAOYSA-N -1 1 291.825 3.013 20 0 CGADMM CC1(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CCC1 ZINC000622417046 349677544 /nfs/dbraw/zinc/67/75/44/349677544.db2.gz UWQMYBHKNCVYQA-UHFFFAOYSA-N -1 1 287.281 3.331 20 0 CGADMM CCc1cc(=O)[n-]c(SCCO[C@@H]2CCCC[C@H]2C)n1 ZINC000436201028 529567027 /nfs/dbraw/zinc/56/70/27/529567027.db2.gz ZXYJIPMCZZRCPK-DGCLKSJQSA-N -1 1 296.436 3.432 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccccc2OC)n1 ZINC000436248251 529567120 /nfs/dbraw/zinc/56/71/20/529567120.db2.gz PSVLPBVCFUDJRZ-UHFFFAOYSA-N -1 1 276.361 3.046 20 0 CGADMM Cc1c(Cl)cccc1NC(=O)c1cncc([O-])c1 ZINC000082324746 232177124 /nfs/dbraw/zinc/17/71/24/232177124.db2.gz KRWNMCNTRKDEIB-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM O=C(Nc1cnc(-c2ccccc2)s1)c1cncc([O-])c1 ZINC000091774689 345823131 /nfs/dbraw/zinc/82/31/31/345823131.db2.gz ZQHIBYGKHUAGPN-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000162940010 232254709 /nfs/dbraw/zinc/25/47/09/232254709.db2.gz XIEKLIWJCHJLBZ-RKDXNWHRSA-N -1 1 298.180 3.025 20 0 CGADMM O=C([O-])c1ccc(CN2CCc3ccccc3C2)s1 ZINC000109601514 345943145 /nfs/dbraw/zinc/94/31/45/345943145.db2.gz CMMMLSBTMCKZKN-UHFFFAOYSA-N -1 1 273.357 3.005 20 0 CGADMM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111667961 345950041 /nfs/dbraw/zinc/95/00/41/345950041.db2.gz MSEHZGAKFAYXPW-ZETCQYMHSA-N -1 1 294.738 3.393 20 0 CGADMM CCn1ncc2ccc(NC(=O)c3cc(F)ccc3[O-])cc21 ZINC000175208941 232315240 /nfs/dbraw/zinc/31/52/40/232315240.db2.gz FPUOLODJOMMOMM-UHFFFAOYSA-N -1 1 299.305 3.153 20 0 CGADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(F)cc1Cl ZINC000128093143 346037399 /nfs/dbraw/zinc/03/73/99/346037399.db2.gz USIFAKGLCIDFBQ-QMMMGPOBSA-N -1 1 294.713 3.071 20 0 CGADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000197061946 346277168 /nfs/dbraw/zinc/27/71/68/346277168.db2.gz NSHFJWCEKOKSKA-UHFFFAOYSA-N -1 1 259.330 3.130 20 0 CGADMM CC(C)c1ccc([C@@H](C)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000227570079 346310251 /nfs/dbraw/zinc/31/02/51/346310251.db2.gz IXAHVHDCBQRDEH-CJNGLKHVSA-N -1 1 291.391 3.047 20 0 CGADMM CC[C@@H](C)CN(CC)C(=O)c1cc(F)ccc1[O-] ZINC000128686680 187384575 /nfs/dbraw/zinc/38/45/75/187384575.db2.gz KNSPUXLSRWQQDU-SNVBAGLBSA-N -1 1 253.317 3.040 20 0 CGADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1C ZINC000605440632 348155945 /nfs/dbraw/zinc/15/59/45/348155945.db2.gz XIIPPYFVPYJXOO-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CO[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000612759341 348544264 /nfs/dbraw/zinc/54/42/64/348544264.db2.gz JRVREFUYVWIFEZ-CYBMUJFWSA-N -1 1 283.755 3.189 20 0 CGADMM CC(C)[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000612186304 348500003 /nfs/dbraw/zinc/50/00/03/348500003.db2.gz CQGKBXRCENJSTO-ZDUSSCGKSA-N -1 1 284.359 3.059 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])C1CCC2(CC2)CC1 ZINC000613029273 348560065 /nfs/dbraw/zinc/56/00/65/348560065.db2.gz YEXHQUVFJYDPKO-UHFFFAOYSA-N -1 1 263.312 3.440 20 0 CGADMM CC(C)[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613780065 348631502 /nfs/dbraw/zinc/63/15/02/348631502.db2.gz DXFSVKSPGUHQPN-CQSZACIVSA-N -1 1 298.386 3.449 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CCC(C2CC2)CC1 ZINC000615178817 348720541 /nfs/dbraw/zinc/72/05/41/348720541.db2.gz ZBAUXHRUFYDCQL-UHFFFAOYSA-N -1 1 296.370 3.203 20 0 CGADMM CCCCC[C@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000620565814 349384120 /nfs/dbraw/zinc/38/41/20/349384120.db2.gz ZYLQUXQVLOTFFX-ZDUSSCGKSA-N -1 1 276.380 3.362 20 0 CGADMM CCO[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625180792 350137627 /nfs/dbraw/zinc/13/76/27/350137627.db2.gz QVXCXTYYEAELGN-CYBMUJFWSA-N -1 1 269.772 3.047 20 0 CGADMM CCSCC[C@H](C)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000271360423 191096077 /nfs/dbraw/zinc/09/60/77/191096077.db2.gz IRKIIXHTJHJWSV-JTQLQIEISA-N -1 1 285.384 3.135 20 0 CGADMM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000628463488 350546098 /nfs/dbraw/zinc/54/60/98/350546098.db2.gz IEBLGPWZOFMYTC-HOTGVXAUSA-N -1 1 299.345 3.453 20 0 CGADMM Cc1cc(F)c(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)c(Cl)c1 ZINC000629773894 350766862 /nfs/dbraw/zinc/76/68/62/350766862.db2.gz SUZDIHWJRINWBL-QWRGUYRKSA-N -1 1 299.773 3.330 20 0 CGADMM C/C=C/C[C@@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000629872934 350781323 /nfs/dbraw/zinc/78/13/23/350781323.db2.gz NXGAHXLLKSLWIW-QAVQXKDTSA-N -1 1 277.339 3.350 20 0 CGADMM Cc1nc(S[C@@H]2C[C@@H](C)O[C@@H](C)C2)[n-]c(=O)c1C1CC1 ZINC000631023334 350926523 /nfs/dbraw/zinc/92/65/23/350926523.db2.gz MYAMPXXHCXFMFR-BZBKMWRSSA-N -1 1 294.420 3.416 20 0 CGADMM Cc1nc(SCCc2ccncc2)[n-]c(=O)c1C1CC1 ZINC000631023391 350927056 /nfs/dbraw/zinc/92/70/56/350927056.db2.gz PIRRTSDSYFGTJB-UHFFFAOYSA-N -1 1 287.388 3.098 20 0 CGADMM CC(C)=CCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023529 350927543 /nfs/dbraw/zinc/92/75/43/350927543.db2.gz VIQRDDUNXCEBKC-UHFFFAOYSA-N -1 1 250.367 3.426 20 0 CGADMM COCCCCCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024403 350927760 /nfs/dbraw/zinc/92/77/60/350927760.db2.gz SDPDFGCHAXJBQT-UHFFFAOYSA-N -1 1 282.409 3.277 20 0 CGADMM CC[C@H](C)[C@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630821253 350894138 /nfs/dbraw/zinc/89/41/38/350894138.db2.gz UBDVZJQZDVQMRG-UWVGGRQHSA-N -1 1 269.772 3.139 20 0 CGADMM CC[C@@H]1C[C@@H](C)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631582430 351077076 /nfs/dbraw/zinc/07/70/76/351077076.db2.gz RLOSRQYPRNHZBF-ZYHUDNBSSA-N -1 1 281.783 3.235 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC2(CCC2)CC1 ZINC000633047982 351238876 /nfs/dbraw/zinc/23/88/76/351238876.db2.gz BQMZBQIDUKHKNQ-UHFFFAOYSA-N -1 1 293.794 3.381 20 0 CGADMM C[C@@H]1CCCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000632541715 351203827 /nfs/dbraw/zinc/20/38/27/351203827.db2.gz BBKQGMOFUZVVLM-LLVKDONJSA-N -1 1 281.783 3.237 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)[C@@H]1c1ccco1 ZINC000633791186 351374915 /nfs/dbraw/zinc/37/49/15/351374915.db2.gz DYNBKUGMONQUBL-CQSZACIVSA-N -1 1 289.306 3.348 20 0 CGADMM CC(C)CC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000633646939 351338679 /nfs/dbraw/zinc/33/86/79/351338679.db2.gz QICGAKAGTOKBPO-UHFFFAOYSA-N -1 1 281.783 3.283 20 0 CGADMM CC(C)[C@@H]1CCc2[n-]n(C[C@@H]3CCSC3)c(=O)c2C1 ZINC000634629339 351551728 /nfs/dbraw/zinc/55/17/28/351551728.db2.gz RXJUIDZWBPWIKM-XQQFMLRXSA-N -1 1 280.437 3.010 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3cccc(Br)c3)c(=O)c21 ZINC000634585602 351525414 /nfs/dbraw/zinc/52/54/14/351525414.db2.gz LJFKZFHGNHSLLP-PELKAZGASA-N -1 1 293.164 3.198 20 0 CGADMM Cc1ccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)c(Cl)c1 ZINC000634593810 351529689 /nfs/dbraw/zinc/52/96/89/351529689.db2.gz AOGWQBFNTBXEAP-NOZJJQNGSA-N -1 1 262.740 3.397 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3ccc(F)cc3F)c(=O)c2C1 ZINC000634601724 351536523 /nfs/dbraw/zinc/53/65/23/351536523.db2.gz UYXZDVOAJIBENJ-JOYOIKCWSA-N -1 1 278.302 3.099 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(OC(F)F)cc3)c(=O)c21 ZINC000634602644 351537492 /nfs/dbraw/zinc/53/74/92/351537492.db2.gz XWEXMEZLTQXIFT-PELKAZGASA-N -1 1 280.274 3.037 20 0 CGADMM Cc1[n-]n(-c2cccc(F)c2Cl)c(=O)c1C1CC1 ZINC000634610898 351541499 /nfs/dbraw/zinc/54/14/99/351541499.db2.gz JERLMDBSNHHKNC-NSHDSACASA-N -1 1 266.703 3.228 20 0 CGADMM CCCc1[nH]n(-c2ccc(C(=O)[O-])cc2F)c(=O)c1CC ZINC000634618876 351546721 /nfs/dbraw/zinc/54/67/21/351546721.db2.gz HBLVGDVDSKXQKT-SNVBAGLBSA-N -1 1 292.310 3.053 20 0 CGADMM CC1(C)C[C@@H](n2[n-]c3c(c2=O)CCCCCC3)CCO1 ZINC000634621404 351548307 /nfs/dbraw/zinc/54/83/07/351548307.db2.gz GUYMNLCAHSRITG-QWHCGFSZSA-N -1 1 278.396 3.113 20 0 CGADMM CCCc1[nH]n(-c2cccc(C(=O)[O-])c2C)c(=O)c1CC ZINC000634633271 351553727 /nfs/dbraw/zinc/55/37/27/351553727.db2.gz PXRMZQDRTUNKTD-NSHDSACASA-N -1 1 288.347 3.222 20 0 CGADMM C[C@@H](C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)C1CC1 ZINC000339844443 215360021 /nfs/dbraw/zinc/36/00/21/215360021.db2.gz ZVARJCWPPRWFAM-SSDOTTSWSA-N -1 1 295.795 3.198 20 0 CGADMM O=C(NCCOC1CCCCCC1)c1ccc([O-])cc1F ZINC000154905720 188169451 /nfs/dbraw/zinc/16/94/51/188169451.db2.gz ISUFZVVFWXBXKH-UHFFFAOYSA-N -1 1 295.354 3.001 20 0 CGADMM CN(CCC1CC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000156351529 188257756 /nfs/dbraw/zinc/25/77/56/188257756.db2.gz IIAPSKUFJPTTPQ-UHFFFAOYSA-N -1 1 269.344 3.418 20 0 CGADMM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ncccc1[O-] ZINC000292545726 198327470 /nfs/dbraw/zinc/32/74/70/198327470.db2.gz DGXSYPQWTSPKOO-UMVBOHGHSA-N -1 1 296.370 3.194 20 0 CGADMM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ncccc1[O-] ZINC000292545722 198328092 /nfs/dbraw/zinc/32/80/92/198328092.db2.gz DGXSYPQWTSPKOO-NFAWXSAZSA-N -1 1 296.370 3.194 20 0 CGADMM COc1cc(C(=O)Nc2ccccc2)cc(Cl)c1[O-] ZINC000336434341 213296284 /nfs/dbraw/zinc/29/62/84/213296284.db2.gz GYOYAXOANKNZNU-UHFFFAOYSA-N -1 1 277.707 3.307 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCC(=O)c2ccccc21 ZINC000336365148 213216524 /nfs/dbraw/zinc/21/65/24/213216524.db2.gz JRIUYOJKMLTJED-ZDUSSCGKSA-N -1 1 299.301 3.230 20 0 CGADMM O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1ccc([O-])cc1F ZINC000412472882 235173885 /nfs/dbraw/zinc/17/38/85/235173885.db2.gz JEYLBQXPTBWZAR-AAEUAGOBSA-N -1 1 277.339 3.087 20 0 CGADMM O=C(Nc1nc(-c2ccccc2)co1)c1cc(F)ccc1[O-] ZINC000436536834 237125626 /nfs/dbraw/zinc/12/56/26/237125626.db2.gz QOCPGSGLMQMELZ-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM CS[C@H](CNC(=O)c1ccc([O-])cc1F)C(C)(C)C ZINC000436824798 237189455 /nfs/dbraw/zinc/18/94/55/237189455.db2.gz DCNMDOWGVOHJPJ-GFCCVEGCSA-N -1 1 285.384 3.039 20 0 CGADMM O=C(N[C@@H]1CCCc2occc21)c1ccc(Cl)cc1[O-] ZINC000436723371 237164947 /nfs/dbraw/zinc/16/49/47/237164947.db2.gz TZWLVIYUEXHDGD-GFCCVEGCSA-N -1 1 291.734 3.446 20 0 CGADMM C[C@H]1C[C@H]1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436956718 237223212 /nfs/dbraw/zinc/22/32/12/237223212.db2.gz OQRCDCHMUOHRHE-YUMQZZPRSA-N -1 1 264.712 3.294 20 0 CGADMM Cc1cccc2c1CN(C(=O)c1ccc([O-])cc1F)CC2 ZINC000436882704 237199281 /nfs/dbraw/zinc/19/92/81/237199281.db2.gz UYULAFLLQCUFMC-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM [O-]c1c(-c2nc(-c3ccon3)no2)ccc2ccccc21 ZINC000436945854 237217482 /nfs/dbraw/zinc/21/74/82/237217482.db2.gz QOYHSKMTUNRMGV-UHFFFAOYSA-N -1 1 279.255 3.250 20 0 CGADMM Cc1ccc(F)c(-c2cc(=NC(=O)[C@@H]3CC=CCC3)[nH][n-]2)c1 ZINC000444787608 238676869 /nfs/dbraw/zinc/67/68/69/238676869.db2.gz RXEBWQTVTIGGIJ-GFCCVEGCSA-N -1 1 299.349 3.241 20 0 CGADMM CC(C)C1([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000451582058 240330955 /nfs/dbraw/zinc/33/09/55/240330955.db2.gz FCUHUNNAFVOYSG-UHFFFAOYSA-N -1 1 297.351 3.039 20 0 CGADMM CC[C@H](Sc1nc(C)c(C)c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000478734982 243084517 /nfs/dbraw/zinc/08/45/17/243084517.db2.gz UQEHXWCNWBQQED-JTQLQIEISA-N -1 1 298.408 3.011 20 0 CGADMM COc1cc([N-]S(=O)(=O)c2ccccc2)c(C)cc1C ZINC000478701735 243084588 /nfs/dbraw/zinc/08/45/88/243084588.db2.gz JFWYRQLOAGPZMF-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM O=C([O-])[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000033851174 368969384 /nfs/dbraw/zinc/96/93/84/368969384.db2.gz PPMUIHYLHAQTCE-SNVBAGLBSA-N -1 1 274.147 3.042 20 0 CGADMM O=C([O-])[C@H]1CCCN1Cc1cccc(Cl)c1Cl ZINC000033851174 368969388 /nfs/dbraw/zinc/96/93/88/368969388.db2.gz PPMUIHYLHAQTCE-SNVBAGLBSA-N -1 1 274.147 3.042 20 0 CGADMM C[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000037912270 369125167 /nfs/dbraw/zinc/12/51/67/369125167.db2.gz QFTCAXAWOQNBRZ-NSHDSACASA-N -1 1 255.317 3.170 20 0 CGADMM CCCN(CC1CC1)C(=O)c1cc(Cl)ccc1[O-] ZINC000042208475 369203640 /nfs/dbraw/zinc/20/36/40/369203640.db2.gz LTNTYAJYDQVEAD-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM O=C(Nc1ccc(Cl)cc1Cl)c1cncc([O-])c1 ZINC000082337723 370002791 /nfs/dbraw/zinc/00/27/91/370002791.db2.gz IDRYMAQFWDVSJL-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM O=C([O-])CC[C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000097903985 370256270 /nfs/dbraw/zinc/25/62/70/370256270.db2.gz BJNUXTLSHIGLBC-NSHDSACASA-N -1 1 283.318 3.042 20 0 CGADMM CCc1c(C)[n-]n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000100216829 370274014 /nfs/dbraw/zinc/27/40/14/370274014.db2.gz UDPMHGIGDBBDLN-NSHDSACASA-N -1 1 270.254 3.454 20 0 CGADMM COc1ccccc1CN(Cc1nc(C)ccc1O)C1CC1 ZINC000130163639 371015648 /nfs/dbraw/zinc/01/56/48/371015648.db2.gz FYYGZCGMWOVIBA-UHFFFAOYSA-N -1 1 298.386 3.269 20 0 CGADMM Cc1ccc([C@H]2CCCN2C(=O)c2ncc(C)cc2[O-])cc1 ZINC000331830997 204215190 /nfs/dbraw/zinc/21/51/90/204215190.db2.gz BJRUABQVWVUUAG-OAHLLOKOSA-N -1 1 296.370 3.381 20 0 CGADMM CCN(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000132865741 371207697 /nfs/dbraw/zinc/20/76/97/371207697.db2.gz UYEWJHWQOQSMPS-UHFFFAOYSA-N -1 1 273.307 3.194 20 0 CGADMM Cc1ccccc1CN(C)C(=O)c1cc(F)ccc1[O-] ZINC000149008497 371526223 /nfs/dbraw/zinc/52/62/23/371526223.db2.gz ZFJZMPKCNDOKIU-UHFFFAOYSA-N -1 1 273.307 3.112 20 0 CGADMM Cc1ccc2[nH]cc(C(=O)N(C)CCC3CC3)c(=O)c2c1 ZINC000287416313 371653101 /nfs/dbraw/zinc/65/31/01/371653101.db2.gz TVTTZQGHLJHHHS-UHFFFAOYSA-N -1 1 284.359 3.121 20 0 CGADMM C[C@@H](C1CCCCC1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000287984014 371724179 /nfs/dbraw/zinc/72/41/79/371724179.db2.gz WQGOQPAHRPGEOD-LBPRGKRZSA-N -1 1 289.375 3.002 20 0 CGADMM [O-]c1ccc(-c2noc(C3(CCF)CC3)n2)c(Cl)c1 ZINC000289947623 371859178 /nfs/dbraw/zinc/85/91/78/371859178.db2.gz XMCHZYWFVGUUEB-UHFFFAOYSA-N -1 1 282.702 3.487 20 0 CGADMM O=C(/C=C/c1cccc(O)c1)Nc1ccc([O-])c(Cl)c1 ZINC000156583339 371986742 /nfs/dbraw/zinc/98/67/42/371986742.db2.gz KRDYIBGCABMURL-QPJJXVBHSA-N -1 1 289.718 3.403 20 0 CGADMM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(Br)c([O-])c1 ZINC000154153616 321735923 /nfs/dbraw/zinc/73/59/23/321735923.db2.gz PXCFKZYWHLPLRE-DTORHVGOSA-N -1 1 298.180 3.168 20 0 CGADMM COc1ccc2cc([C@H](C)C(=O)[N-]OCC3CC3)ccc2c1 ZINC000293833847 372496281 /nfs/dbraw/zinc/49/62/81/372496281.db2.gz SUDWVBAKPBOZOU-LBPRGKRZSA-N -1 1 299.370 3.410 20 0 CGADMM [O-]c1cccc(CN2C[C@@H](CO)c3ccccc32)c1Cl ZINC000293980193 372544459 /nfs/dbraw/zinc/54/44/59/372544459.db2.gz RFVTXAIDABDUCL-LBPRGKRZSA-N -1 1 289.762 3.142 20 0 CGADMM C[C@@]1(F)CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000295677903 372872702 /nfs/dbraw/zinc/87/27/02/372872702.db2.gz XVIPJJWNSFHASG-CYBMUJFWSA-N -1 1 271.719 3.010 20 0 CGADMM Cc1cnc([C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)o1 ZINC000333294508 205192975 /nfs/dbraw/zinc/19/29/75/205192975.db2.gz RYTPZKSAJQBRKO-MRVPVSSYSA-N -1 1 277.349 3.209 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(CF)CC1 ZINC000296003565 372989811 /nfs/dbraw/zinc/98/98/11/372989811.db2.gz SDUKYMOQAQFCCR-UHFFFAOYSA-N -1 1 287.334 3.367 20 0 CGADMM CCCC[C@H](CCC)CN=c1nc(COC)[n-]s1 ZINC000441810522 373035425 /nfs/dbraw/zinc/03/54/25/373035425.db2.gz KTGQKMGJJWMYIQ-NSHDSACASA-N -1 1 271.430 3.125 20 0 CGADMM CCC[C@@H](CC)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442941338 373131191 /nfs/dbraw/zinc/13/11/91/373131191.db2.gz FHBZIOLYTLVAGI-SNVBAGLBSA-N -1 1 285.771 3.363 20 0 CGADMM CC(C)[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000444522155 373196215 /nfs/dbraw/zinc/19/62/15/373196215.db2.gz VEGSMWRPWPQTLR-LLVKDONJSA-N -1 1 265.328 3.040 20 0 CGADMM O=c1cc(C(F)F)nc(S[C@H]2C=CCCC2)[n-]1 ZINC000289624566 197423821 /nfs/dbraw/zinc/42/38/21/197423821.db2.gz VIQAYXYMHRLOJH-ZETCQYMHSA-N -1 1 258.293 3.321 20 0 CGADMM O=C(CCc1cscn1)Nc1ccc([O-])c(Cl)c1 ZINC000179012191 373828168 /nfs/dbraw/zinc/82/81/68/373828168.db2.gz HBDQTEQEDQYSQJ-UHFFFAOYSA-N -1 1 282.752 3.073 20 0 CGADMM CCCN(C(=O)c1ccc(Br)c([O-])c1)C1CC1 ZINC000179211333 373847223 /nfs/dbraw/zinc/84/72/23/373847223.db2.gz IYBZBYDAZJBCGS-UHFFFAOYSA-N -1 1 298.180 3.169 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1F ZINC000181047890 374072131 /nfs/dbraw/zinc/07/21/31/374072131.db2.gz YQYUGLBUDBBDCL-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM O=C(Nc1cccc2[nH]ccc21)c1ccc([O-])cc1F ZINC000181201787 374092475 /nfs/dbraw/zinc/09/24/75/374092475.db2.gz HJOWRPYAWOHTBA-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM O=C(NCC[C@H]1CCc2ccccc21)c1ccc([O-])cc1F ZINC000452319676 374333786 /nfs/dbraw/zinc/33/37/86/374333786.db2.gz URRRAJUHSDMQIB-CYBMUJFWSA-N -1 1 299.345 3.381 20 0 CGADMM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)CCO1 ZINC000456777715 374620709 /nfs/dbraw/zinc/62/07/09/374620709.db2.gz GLPRPAKOPOYLRI-VHSXEESVSA-N -1 1 299.317 3.204 20 0 CGADMM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464221976 374867281 /nfs/dbraw/zinc/86/72/81/374867281.db2.gz DBFUEAQDXHYLQA-SECBINFHSA-N -1 1 293.791 3.192 20 0 CGADMM O=C(c1ncccc1[O-])N1CC[C@H]1c1ccc(Cl)cc1 ZINC000334831212 375036726 /nfs/dbraw/zinc/03/67/26/375036726.db2.gz MCOYRKWNYKTGQL-LBPRGKRZSA-N -1 1 288.734 3.028 20 0 CGADMM O=C(NC1CCC(C(F)F)CC1)c1ccc([O-])cc1F ZINC000335147259 375173327 /nfs/dbraw/zinc/17/33/27/375173327.db2.gz PNKHRSJDZQVRHO-UHFFFAOYSA-N -1 1 287.281 3.085 20 0 CGADMM O=C(C[C@@H]1C=CCCC1)Nc1ccc([O-])c(F)c1F ZINC000335219858 375239987 /nfs/dbraw/zinc/23/99/87/375239987.db2.gz SPLPCJBLCJUMKI-SECBINFHSA-N -1 1 267.275 3.355 20 0 CGADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ns1 ZINC000335224458 375243032 /nfs/dbraw/zinc/24/30/32/375243032.db2.gz UKWHPSMWCKSYNC-UHFFFAOYSA-N -1 1 268.725 3.063 20 0 CGADMM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ncccc1[O-] ZINC000188259643 375185692 /nfs/dbraw/zinc/18/56/92/375185692.db2.gz PHYVEOSBDPOROP-GOSISDBHSA-N -1 1 296.370 3.025 20 0 CGADMM CCc1ccc(C(=O)N2CCc3ccccc32)c([O-])c1 ZINC000188454674 375218316 /nfs/dbraw/zinc/21/83/16/375218316.db2.gz JCGAMRAQCLRPLE-UHFFFAOYSA-N -1 1 267.328 3.158 20 0 CGADMM O=C(Nc1ccc(Cl)c2ncccc12)c1cncc([O-])c1 ZINC000111776403 542002889 /nfs/dbraw/zinc/00/28/89/542002889.db2.gz AFUUKKDZPRLWRK-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM COc1cc(C(=O)N2CCCC3(CC3)C2)cc(Cl)c1[O-] ZINC000336598733 375864538 /nfs/dbraw/zinc/86/45/38/375864538.db2.gz UOWZTLPCEVPSNW-UHFFFAOYSA-N -1 1 295.766 3.070 20 0 CGADMM Cc1cc(F)ccc1NC(=O)c1c(F)ccc([O-])c1F ZINC000336586709 375854240 /nfs/dbraw/zinc/85/42/40/375854240.db2.gz NNFFHKMBEZXAMJ-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM COC(=O)c1c[n-]c(SCc2cc(C)sc2C)n1 ZINC000193539736 375892895 /nfs/dbraw/zinc/89/28/95/375892895.db2.gz OUKDUBUZUYVUTF-UHFFFAOYSA-N -1 1 282.390 3.167 20 0 CGADMM CO[C@H](C)c1nc(=NCC[C@@H]2CCC[C@H](C)C2)s[n-]1 ZINC000336810393 375963270 /nfs/dbraw/zinc/96/32/70/375963270.db2.gz ZTUAYCAILKFZAH-TUAOUCFPSA-N -1 1 283.441 3.296 20 0 CGADMM CCCC[C@@H](CC)CNC(=O)c1ccc([O-])cc1F ZINC000226267953 376348083 /nfs/dbraw/zinc/34/80/83/376348083.db2.gz LDIMCYKVGYOZOL-LLVKDONJSA-N -1 1 267.344 3.478 20 0 CGADMM CC[C@@H](C)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000540857067 376398562 /nfs/dbraw/zinc/39/85/62/376398562.db2.gz BFISBQWGFPREMS-ZCFIWIBFSA-N -1 1 266.288 3.339 20 0 CGADMM O=C([N-]c1c(F)cccc1F)c1sccc1F ZINC000334318221 206360236 /nfs/dbraw/zinc/36/02/36/206360236.db2.gz RSTQSBHAGSKWEL-UHFFFAOYSA-N -1 1 257.236 3.418 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1sccc1Cl ZINC000334335744 206388769 /nfs/dbraw/zinc/38/87/69/206388769.db2.gz RASVFTXBVYHPEN-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000235318888 376636367 /nfs/dbraw/zinc/63/63/67/376636367.db2.gz NFNIHAIHQOOZBH-PSASIEDQSA-N -1 1 298.180 3.073 20 0 CGADMM CCOc1cc(C(=O)NC2(C3CC3)CC2)cc(Cl)c1[O-] ZINC000545149970 376788529 /nfs/dbraw/zinc/78/85/29/376788529.db2.gz ZXFIVAKQFVSXEX-UHFFFAOYSA-N -1 1 295.766 3.117 20 0 CGADMM CCc1cc(C)c(C(=O)Nc2ccc(F)cc2[O-])o1 ZINC000340328991 377004598 /nfs/dbraw/zinc/00/45/98/377004598.db2.gz IEWGYZBOQKCBCK-UHFFFAOYSA-N -1 1 263.268 3.247 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2c(c1)CCC2 ZINC000340331450 377006606 /nfs/dbraw/zinc/00/66/06/377006606.db2.gz SFSXHXLWLBGZJI-UHFFFAOYSA-N -1 1 271.291 3.272 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCSC12CCCCC2 ZINC000561954132 377254912 /nfs/dbraw/zinc/25/49/12/377254912.db2.gz CJJCAHHNVSSGKI-UHFFFAOYSA-N -1 1 295.379 3.381 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)[C@@H]2CCCC[C@H]21 ZINC000248385883 377301508 /nfs/dbraw/zinc/30/15/08/377301508.db2.gz KIUBFCZMSDCPMX-IFUGULHKSA-N -1 1 277.339 3.182 20 0 CGADMM CC(C)CCc1nc(CN2CC[C@H](C(=O)[O-])[C@@H]2C)cs1 ZINC000563290976 377440232 /nfs/dbraw/zinc/44/02/32/377440232.db2.gz XVHPRDUFCDEJRP-AAEUAGOBSA-N -1 1 296.436 3.027 20 0 CGADMM C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000516982176 249253465 /nfs/dbraw/zinc/25/34/65/249253465.db2.gz WTQSHVGNNHEXKJ-VIFPVBQESA-N -1 1 296.417 3.167 20 0 CGADMM C[C@@H](CC(=O)[O-])N(C)Cc1csc(-c2ccsc2)n1 ZINC000516982176 249253468 /nfs/dbraw/zinc/25/34/68/249253468.db2.gz WTQSHVGNNHEXKJ-VIFPVBQESA-N -1 1 296.417 3.167 20 0 CGADMM C[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)[C@H]1C ZINC000253544514 377697234 /nfs/dbraw/zinc/69/72/34/377697234.db2.gz ACOQLCGZJMBDHL-ZJUUUORDSA-N -1 1 277.393 3.017 20 0 CGADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cccc(Cl)c2F)C1 ZINC000263369942 377928920 /nfs/dbraw/zinc/92/89/20/377928920.db2.gz VBSCVAWFNIIPET-ONGXEEELSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccsc1Cl ZINC000263494046 377941417 /nfs/dbraw/zinc/94/14/17/377941417.db2.gz JDEQYWDVAQNCBG-SCZZXKLOSA-N -1 1 273.785 3.087 20 0 CGADMM CCC[C@@H](NCc1cc2cc(C)c(C)cc2o1)C(=O)[O-] ZINC000262714297 377908595 /nfs/dbraw/zinc/90/85/95/377908595.db2.gz RCNYZHLMJVNUSO-CQSZACIVSA-N -1 1 275.348 3.393 20 0 CGADMM COc1cccc2c(C(=O)Nc3cc(C)ccc3F)n[nH]c21 ZINC000345111328 378197616 /nfs/dbraw/zinc/19/76/16/378197616.db2.gz GSAYQBPRWHIXSD-UHFFFAOYSA-N -1 1 299.305 3.271 20 0 CGADMM Cc1c(C(=O)Nc2ccncc2[O-])oc2c1c(C)ccc2C ZINC000345384442 378274088 /nfs/dbraw/zinc/27/40/88/378274088.db2.gz ZKNXPELSNMZYOM-UHFFFAOYSA-N -1 1 296.326 3.133 20 0 CGADMM C[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)c2ccccc21 ZINC000347909406 378728104 /nfs/dbraw/zinc/72/81/04/378728104.db2.gz MASBIPBUYMOFGU-SECBINFHSA-N -1 1 289.281 3.434 20 0 CGADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000276990135 379039201 /nfs/dbraw/zinc/03/92/01/379039201.db2.gz JSYQPLUXYMQNRK-AWEZNQCLSA-N -1 1 275.373 3.280 20 0 CGADMM O=C(c1cncc([O-])c1)N1CC2(CCC2)c2c1cccc2F ZINC000334226836 284749129 /nfs/dbraw/zinc/74/91/29/284749129.db2.gz NIUQOSFEBMLDMS-UHFFFAOYSA-N -1 1 298.317 3.008 20 0 CGADMM CC1(CC(=O)Nc2ccc(F)cc2[O-])CCCC1 ZINC000349105269 379161455 /nfs/dbraw/zinc/16/14/55/379161455.db2.gz GGPOUIOYPASKQC-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM Cc1cc(C)c(CNCc2ccc(C(=O)[O-])c(C)n2)cc1C ZINC000277525490 379182151 /nfs/dbraw/zinc/18/21/51/379182151.db2.gz YYKHQPQGSWYMGR-UHFFFAOYSA-N -1 1 298.386 3.303 20 0 CGADMM O=C(CCc1nccs1)Nc1ccc([O-])c(Cl)c1 ZINC000349251300 379206317 /nfs/dbraw/zinc/20/63/17/379206317.db2.gz XGKFVTVWEICXTH-UHFFFAOYSA-N -1 1 282.752 3.073 20 0 CGADMM C[C@@H]1C[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCO1 ZINC000278240317 379325538 /nfs/dbraw/zinc/32/55/38/379325538.db2.gz SITCVBDAZAZOEV-RKDXNWHRSA-N -1 1 294.738 3.378 20 0 CGADMM CSCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278130153 379297618 /nfs/dbraw/zinc/29/76/18/379297618.db2.gz KFFAISLUSWXJOR-UHFFFAOYSA-N -1 1 270.741 3.001 20 0 CGADMM CO[C@H]1CCC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000350568405 379561858 /nfs/dbraw/zinc/56/18/58/379561858.db2.gz XJNZYFXBMWHYFI-KOLCDFICSA-N -1 1 292.310 3.254 20 0 CGADMM Cc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)ccn1 ZINC000350589579 379569760 /nfs/dbraw/zinc/56/97/60/379569760.db2.gz YXBAITDRNHZFEK-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM O=C(c1ccc([O-])cc1F)N(CC1CC1)CC1CCC1 ZINC000280002293 379576361 /nfs/dbraw/zinc/57/63/61/379576361.db2.gz KGOGONVNJCKDPT-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM CC(C)CC[C@@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000280810010 379796503 /nfs/dbraw/zinc/79/65/03/379796503.db2.gz QMRYCMVTKPCUNP-SECBINFHSA-N -1 1 271.307 3.225 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCCC(F)(F)C1 ZINC000282595209 379952515 /nfs/dbraw/zinc/95/25/15/379952515.db2.gz VVQDUYCXADGQAH-QMMMGPOBSA-N -1 1 273.254 3.295 20 0 CGADMM CCN(C(=O)c1cncc([O-])c1)c1cccc(C)c1C ZINC000283937555 380107743 /nfs/dbraw/zinc/10/77/43/380107743.db2.gz MSQDHIFPQQSUQN-UHFFFAOYSA-N -1 1 270.332 3.071 20 0 CGADMM C/C=C\C[C@@H](NCc1cccc([O-])c1Cl)C(=O)OCC ZINC000353201072 380164849 /nfs/dbraw/zinc/16/48/49/380164849.db2.gz DZVIPJGSLUCVGA-KTLBGCOUSA-N -1 1 297.782 3.033 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCCCCC(=O)C1 ZINC000644046387 380410871 /nfs/dbraw/zinc/41/08/71/380410871.db2.gz BSBSMBOBHARIJU-JTQLQIEISA-N -1 1 279.311 3.009 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1occ2c1CCC2 ZINC000354505079 380462171 /nfs/dbraw/zinc/46/21/71/380462171.db2.gz RVCREBVMJRFUEC-UHFFFAOYSA-N -1 1 277.707 3.380 20 0 CGADMM CC(C)[C@@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000354747784 380548259 /nfs/dbraw/zinc/54/82/59/380548259.db2.gz ZJEUSZIITVOHBV-SNVBAGLBSA-N -1 1 273.336 3.013 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2c(C)cc(C)nc2C)c1 ZINC000334854168 207189136 /nfs/dbraw/zinc/18/91/36/207189136.db2.gz OZUGECCHLJWWDA-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCOc2ccccc21 ZINC000334934269 207317381 /nfs/dbraw/zinc/31/73/81/207317381.db2.gz WNXDAMKBTUPVOP-GFCCVEGCSA-N -1 1 287.290 3.036 20 0 CGADMM O=c1[nH]c([C@@H]2CCCC(F)(F)C2)nc2cc(F)c([O-])cc12 ZINC000334946134 207337526 /nfs/dbraw/zinc/33/75/26/207337526.db2.gz RLNZNZQUUPFNJN-SSDOTTSWSA-N -1 1 298.264 3.061 20 0 CGADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000281082067 195095392 /nfs/dbraw/zinc/09/53/92/195095392.db2.gz FFAOTFKTMVUVHZ-ZYHUDNBSSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@@H]1C[C@H](C)[C@@H](c2nc(-c3ccc([O-])cc3F)no2)O1 ZINC000289180357 197255170 /nfs/dbraw/zinc/25/51/70/197255170.db2.gz WGHCEJPJAJLKMB-SXMVTHIZSA-N -1 1 278.283 3.067 20 0 CGADMM CC(C)CN(C(=O)C(=O)c1ccc([O-])cc1)C1CCCC1 ZINC000288379678 197063380 /nfs/dbraw/zinc/06/33/80/197063380.db2.gz LNIMQHIOMALFQP-UHFFFAOYSA-N -1 1 289.375 3.002 20 0 CGADMM CCCC[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000262705692 131252968 /nfs/dbraw/zinc/25/29/68/131252968.db2.gz MRDCTQLFJYJVOX-ZDUSSCGKSA-N -1 1 261.321 3.166 20 0 CGADMM [O-]c1cccc(CN[C@@H](C2CC2)C(F)(F)F)c1Cl ZINC000293115425 392520341 /nfs/dbraw/zinc/52/03/41/392520341.db2.gz YVAGBJIILJFNEX-NSHDSACASA-N -1 1 279.689 3.476 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)[C@H]2CCC[C@H]21 ZINC000647497934 392740643 /nfs/dbraw/zinc/74/06/43/392740643.db2.gz CKBFEDMQBJBJJU-YPMHNXCESA-N -1 1 277.339 3.182 20 0 CGADMM CC[C@@H](CC(F)F)C(=O)Nc1ccc([O-])c(F)c1F ZINC000457889168 392793048 /nfs/dbraw/zinc/79/30/48/392793048.db2.gz YRPFVFBEZVSVIS-LURJTMIESA-N -1 1 279.233 3.290 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CC(C)(C)O1 ZINC000194656450 392933634 /nfs/dbraw/zinc/93/36/34/392933634.db2.gz IQRGCIOIOMBJRZ-LBPRGKRZSA-N -1 1 299.370 3.185 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCC(C)(C)OC)n1 ZINC000468497802 393147929 /nfs/dbraw/zinc/14/79/29/393147929.db2.gz ULIBDUCLNBBSPA-UHFFFAOYSA-N -1 1 270.398 3.042 20 0 CGADMM CC(C)(C)C(C)(C)NC(=O)c1ccc([O-])c(F)c1 ZINC000647094391 393338470 /nfs/dbraw/zinc/33/84/70/393338470.db2.gz MGZUEOGKBJAFKB-UHFFFAOYSA-N -1 1 253.317 3.086 20 0 CGADMM O=c1cc(C(F)F)nc(SCCC[C@@H]2CCOC2)[n-]1 ZINC000647121862 393343658 /nfs/dbraw/zinc/34/36/58/393343658.db2.gz OJLPVBAOKPLHEI-MRVPVSSYSA-N -1 1 290.335 3.029 20 0 CGADMM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000649167332 393364835 /nfs/dbraw/zinc/36/48/35/393364835.db2.gz QBOYQGHYJMRTMS-INTQDDNPSA-N -1 1 299.292 3.329 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@@H]1C1CCC1 ZINC000649196466 393370095 /nfs/dbraw/zinc/37/00/95/393370095.db2.gz NGRLYQXUJRJBBO-CQSZACIVSA-N -1 1 277.339 3.326 20 0 CGADMM Cn1ncc2c1nc(Oc1ccc3ccccc3c1)[n-]c2=O ZINC000356529752 393475210 /nfs/dbraw/zinc/47/52/10/393475210.db2.gz REFNKQLSFLDLJG-UHFFFAOYSA-N -1 1 292.298 3.014 20 0 CGADMM CC[C@H](SC)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445453615 393795705 /nfs/dbraw/zinc/79/57/05/393795705.db2.gz BXCCIUWOCDFKQL-JTQLQIEISA-N -1 1 268.313 3.395 20 0 CGADMM Cc1ccc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)cn1 ZINC000445471115 393797776 /nfs/dbraw/zinc/79/77/76/393797776.db2.gz GMNPAZYAAYHUPZ-DAXSKMNVSA-N -1 1 297.289 3.455 20 0 CGADMM CC(C)c1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)no1 ZINC000445476269 393798806 /nfs/dbraw/zinc/79/88/06/393798806.db2.gz AMTGWPYKJWABPF-UHFFFAOYSA-N -1 1 289.266 3.360 20 0 CGADMM Cc1cc(-c2noc(-c3ccc([O-])cc3F)n2)c(C)o1 ZINC000445850998 393830732 /nfs/dbraw/zinc/83/07/32/393830732.db2.gz YDFBGSDIGFPTDO-UHFFFAOYSA-N -1 1 274.251 3.458 20 0 CGADMM CCC(=O)c1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000446135515 393850912 /nfs/dbraw/zinc/85/09/12/393850912.db2.gz GDDKMDIFAKPOJZ-UHFFFAOYSA-N -1 1 278.311 3.183 20 0 CGADMM CCCc1ncc(CNCc2cccc([O-])c2Cl)o1 ZINC000449611147 393920851 /nfs/dbraw/zinc/92/08/51/393920851.db2.gz IQXKFQSRBKGOJQ-UHFFFAOYSA-N -1 1 280.755 3.276 20 0 CGADMM CC[C@H]1CCC[C@@H]1CNC(=O)c1ccc([O-])cc1F ZINC000452524068 394077870 /nfs/dbraw/zinc/07/78/70/394077870.db2.gz HBYLBHRVOINUJN-WDEREUQCSA-N -1 1 265.328 3.087 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000669226304 543094751 /nfs/dbraw/zinc/09/47/51/543094751.db2.gz PNKILJDWXVCVHF-WFASDCNBSA-N -1 1 296.370 3.345 20 0 CGADMM CCc1c(C)[n-]n(Cc2cccc(Cl)c2)c1=O ZINC000110459687 397654350 /nfs/dbraw/zinc/65/43/50/397654350.db2.gz BKPOUDCQWLMJBM-LBPRGKRZSA-N -1 1 250.729 3.084 20 0 CGADMM CCC[C@@H](OC)c1noc(-c2ccc([O-])cc2F)n1 ZINC000232390351 397668222 /nfs/dbraw/zinc/66/82/22/397668222.db2.gz YDDVYNTWICHCNS-LLVKDONJSA-N -1 1 266.272 3.069 20 0 CGADMM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccccc2F)o1 ZINC000650807695 397928810 /nfs/dbraw/zinc/92/88/10/397928810.db2.gz GEQIZXDXJUAXSC-AWEZNQCLSA-N -1 1 291.322 3.381 20 0 CGADMM Cc1ccncc1[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000678414181 543522429 /nfs/dbraw/zinc/52/24/29/543522429.db2.gz BGYLWWZSLVUIGU-JTQLQIEISA-N -1 1 290.750 3.240 20 0 CGADMM CCN(C(=O)c1ccc(OC)cc1[O-])c1cccc(C)c1 ZINC000040217783 286890175 /nfs/dbraw/zinc/89/01/75/286890175.db2.gz YHSYJKJZTNIDNB-UHFFFAOYSA-N -1 1 285.343 3.376 20 0 CGADMM CN(CCc1cccs1)C(=O)c1cc(Cl)ccc1[O-] ZINC000075201009 287022620 /nfs/dbraw/zinc/02/26/20/287022620.db2.gz HZZWXWYYLFCSBQ-UHFFFAOYSA-N -1 1 295.791 3.422 20 0 CGADMM CCC(C)(CC)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084938134 287081615 /nfs/dbraw/zinc/08/16/15/287081615.db2.gz NDYSSUJYTYQVHG-UHFFFAOYSA-N -1 1 281.377 3.290 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1cc(F)c(F)cc1F ZINC000089408940 287089207 /nfs/dbraw/zinc/08/92/07/287089207.db2.gz NLFXKXOSEBHTFK-UHFFFAOYSA-N -1 1 284.237 3.215 20 0 CGADMM C[C@]1(C(=O)[O-])CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000062936150 165031712 /nfs/dbraw/zinc/03/17/12/165031712.db2.gz WZGFNSUZZCHQGO-ZDUSSCGKSA-N -1 1 288.174 3.290 20 0 CGADMM O=C(Nc1nc(C(F)(F)F)cs1)c1ccccc1[O-] ZINC000097284707 287124751 /nfs/dbraw/zinc/12/47/51/287124751.db2.gz IZPMYUCZIQXRBF-UHFFFAOYSA-N -1 1 288.250 3.120 20 0 CGADMM COc1ccc(-c2nc(COc3ccccc3)no2)c([O-])c1 ZINC000109037577 287127684 /nfs/dbraw/zinc/12/76/84/287127684.db2.gz JIMHRVVDJHJBAV-UHFFFAOYSA-N -1 1 298.298 3.030 20 0 CGADMM O=C(Nc1ccc(F)cn1)c1ccc2ccccc2c1[O-] ZINC000112667949 287143492 /nfs/dbraw/zinc/14/34/92/287143492.db2.gz IBHPTUWIKXAUEH-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM Cc1cncc(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000123683950 287223714 /nfs/dbraw/zinc/22/37/14/287223714.db2.gz VXGJVQSNGTYEEM-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM Cc1cc(F)cc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000124251010 287231456 /nfs/dbraw/zinc/23/14/56/287231456.db2.gz KNBMDKHWONGPOR-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM O=C(NCC1CCC1)c1ccc2ccccc2c1[O-] ZINC000034653099 171848324 /nfs/dbraw/zinc/84/83/24/171848324.db2.gz MLNSETDJRUBEOD-UHFFFAOYSA-N -1 1 255.317 3.075 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000040725150 174386893 /nfs/dbraw/zinc/38/68/93/174386893.db2.gz UUCPITFDLJQDMH-NSHDSACASA-N -1 1 255.317 3.027 20 0 CGADMM O=C(CCc1cccc(F)c1F)Nc1c([O-])cccc1F ZINC000078806966 177391163 /nfs/dbraw/zinc/39/11/63/177391163.db2.gz SPFWEHHSFSOWAX-UHFFFAOYSA-N -1 1 295.260 3.381 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1F ZINC000048653083 416456804 /nfs/dbraw/zinc/45/68/04/416456804.db2.gz LBZULUAAQFEHAJ-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC[C@H]1COC(C)(C)CN1Cc1cccc([O-])c1Cl ZINC000403830099 416549959 /nfs/dbraw/zinc/54/99/59/416549959.db2.gz NJCVMQVRKJIOPM-LBPRGKRZSA-N -1 1 283.799 3.435 20 0 CGADMM CC[C@@H](CNC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000681015668 543756992 /nfs/dbraw/zinc/75/69/92/543756992.db2.gz JOSWUDJUBXIILV-LBPRGKRZSA-N -1 1 287.334 3.455 20 0 CGADMM CCCC[C@H](CC)CNC(=O)c1ccc([O-])c(F)c1 ZINC000681017149 543757309 /nfs/dbraw/zinc/75/73/09/543757309.db2.gz VZTDHAAGABPEKW-NSHDSACASA-N -1 1 267.344 3.478 20 0 CGADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681017247 543757511 /nfs/dbraw/zinc/75/75/11/543757511.db2.gz MANAJBDMVWOCCO-ZWNOBZJWSA-N -1 1 265.328 3.182 20 0 CGADMM CC(C)(C)CC(C)(C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681016969 543757905 /nfs/dbraw/zinc/75/79/05/543757905.db2.gz RIYXLIZIGUPFBC-UHFFFAOYSA-N -1 1 267.344 3.476 20 0 CGADMM O=C(NCc1ccc(F)c(Cl)c1)c1ccc([O-])c(F)c1 ZINC000681039550 543759447 /nfs/dbraw/zinc/75/94/47/543759447.db2.gz LSMFLFSYOXJZRT-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM Cc1cccc2c1CCCN2C(=O)c1ccc([O-])c(F)c1 ZINC000681046552 543760237 /nfs/dbraw/zinc/76/02/37/543760237.db2.gz OAYADGURRGYSAL-UHFFFAOYSA-N -1 1 285.318 3.433 20 0 CGADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681047926 543760309 /nfs/dbraw/zinc/76/03/09/543760309.db2.gz VOWOFFWINOGHOP-MSRIBSCDSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)[C@H]1c1ccccc1 ZINC000681049173 543760553 /nfs/dbraw/zinc/76/05/53/543760553.db2.gz CBXCUYOOSAWDER-BDJLRTHQSA-N -1 1 285.318 3.365 20 0 CGADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@@H]1CCc2ccccc2C1 ZINC000681046854 543760704 /nfs/dbraw/zinc/76/07/04/543760704.db2.gz RMSCWDPCAAHLKJ-OAHLLOKOSA-N -1 1 299.345 3.161 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])c(F)c2)[C@H](C)C1 ZINC000681046480 543760726 /nfs/dbraw/zinc/76/07/26/543760726.db2.gz KOZYNAGPKJNRIN-GIPNMCIBSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681056158 543762295 /nfs/dbraw/zinc/76/22/95/543762295.db2.gz LJFBOAZXWBUDQN-JTQLQIEISA-N -1 1 289.306 3.070 20 0 CGADMM CCC[C@@H](C)c1cc(NC(=O)c2ccc([O-])c(F)c2)n[nH]1 ZINC000681089322 543763896 /nfs/dbraw/zinc/76/38/96/543763896.db2.gz AQLGZBGVEOHALR-SECBINFHSA-N -1 1 291.326 3.410 20 0 CGADMM COc1cc(C(=O)N(C)CCC(C)C)cc(Cl)c1[O-] ZINC000682358098 543836025 /nfs/dbraw/zinc/83/60/25/543836025.db2.gz ATQCJZXMDRMFSP-UHFFFAOYSA-N -1 1 285.771 3.172 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2ccc(Cl)cc2[O-])nc1 ZINC000682816814 543870732 /nfs/dbraw/zinc/87/07/32/543870732.db2.gz WOTJXSXWTZVUAA-UHFFFAOYSA-N -1 1 290.750 3.021 20 0 CGADMM CC1(C)CCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875340 544035332 /nfs/dbraw/zinc/03/53/32/544035332.db2.gz HFDHOGVTNGEIBR-UHFFFAOYSA-N -1 1 287.281 3.426 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])cc2F)[C@@H]1C ZINC000154753600 287407513 /nfs/dbraw/zinc/40/75/13/287407513.db2.gz KGAQDQZSNSZJIP-GPCCPHFNSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(NC1CCSCC1)c1ccc2ccccc2c1[O-] ZINC000133935929 287432511 /nfs/dbraw/zinc/43/25/11/287432511.db2.gz KWMXAXMEAODGNE-UHFFFAOYSA-N -1 1 287.384 3.171 20 0 CGADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000181234914 287440791 /nfs/dbraw/zinc/44/07/91/287440791.db2.gz UYEYBVDSHTVQJB-MNOVXSKESA-N -1 1 265.328 3.182 20 0 CGADMM CCC1([N-]S(=O)(=O)c2cc3ccccc3o2)CCC1 ZINC000150834552 287500548 /nfs/dbraw/zinc/50/05/48/287500548.db2.gz IBHZXZYHILYTGR-UHFFFAOYSA-N -1 1 279.361 3.044 20 0 CGADMM C[C@@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])C[C@@H](C)S1 ZINC000652403040 418962776 /nfs/dbraw/zinc/96/27/76/418962776.db2.gz VXALEDIUTXZHDU-NXEZZACHSA-N -1 1 299.823 3.364 20 0 CGADMM CC(C)[C@H](CN[C@@H](CCc1ccccc1)C(F)F)C(=O)[O-] ZINC000656097818 419140046 /nfs/dbraw/zinc/14/00/46/419140046.db2.gz BDWXNYVWORYHCA-KBPBESRZSA-N -1 1 299.361 3.199 20 0 CGADMM CCC[C@H](C)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000666352173 419210220 /nfs/dbraw/zinc/21/02/20/419210220.db2.gz PVLKDYMGFXASSD-NSHDSACASA-N -1 1 272.348 3.201 20 0 CGADMM COc1ccc([C@H](C)CSc2ncc(C)c(=O)[n-]2)cc1 ZINC000657261877 419239512 /nfs/dbraw/zinc/23/95/12/419239512.db2.gz OHLJVBPAIUNFQI-LLVKDONJSA-N -1 1 290.388 3.395 20 0 CGADMM CCc1nc(SCc2ccc(C)cn2)[n-]c(=O)c1C ZINC000657263769 419240040 /nfs/dbraw/zinc/24/00/40/419240040.db2.gz GPDDTLGMYCZUNT-UHFFFAOYSA-N -1 1 275.377 3.049 20 0 CGADMM CSc1ccc([O-])c(-c2nc(C(C)(C)C)no2)c1 ZINC000663302159 419543624 /nfs/dbraw/zinc/54/36/24/419543624.db2.gz AGPXHTNNEUDJQR-UHFFFAOYSA-N -1 1 264.350 3.462 20 0 CGADMM CSc1ccc([O-])c(-c2nc(CC3CC3)no2)c1 ZINC000663306354 419546582 /nfs/dbraw/zinc/54/65/82/419546582.db2.gz RJXOFSNFLGONSA-UHFFFAOYSA-N -1 1 262.334 3.117 20 0 CGADMM CC12CC(C1)CN2Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000663316420 419553694 /nfs/dbraw/zinc/55/36/94/419553694.db2.gz XRHWRUAPVGKJHP-UHFFFAOYSA-N -1 1 298.342 3.024 20 0 CGADMM Cc1nccc(N2CCC(CCC(=O)[O-])CC2)c1Cl ZINC000662884815 419499472 /nfs/dbraw/zinc/49/94/72/419499472.db2.gz YZGDQRLCWIONOR-UHFFFAOYSA-N -1 1 282.771 3.125 20 0 CGADMM CCc1ncc(NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000192238264 287597698 /nfs/dbraw/zinc/59/76/98/287597698.db2.gz JEDKIDIUCJCXBO-UHFFFAOYSA-N -1 1 292.726 3.042 20 0 CGADMM O=C(c1ccc(O)cc1[O-])N1CCCCc2ccccc21 ZINC000192600848 287602614 /nfs/dbraw/zinc/60/26/14/287602614.db2.gz WYHJDTONPRQKMF-UHFFFAOYSA-N -1 1 283.327 3.081 20 0 CGADMM CCc1cnc(CNC(=O)c2cc3ccccc3cc2[O-])o1 ZINC000318943346 262129706 /nfs/dbraw/zinc/12/97/06/262129706.db2.gz SLNKMXHXRNTVPW-UHFFFAOYSA-N -1 1 296.326 3.026 20 0 CGADMM CC1(C)CC[C@H]1N=c1[n-]c(C(F)(F)F)cs1 ZINC000390517892 262204736 /nfs/dbraw/zinc/20/47/36/262204736.db2.gz DNMBVINDWOPXLQ-ZCFIWIBFSA-N -1 1 250.289 3.184 20 0 CGADMM CN(Cc1cscn1)C(=O)c1ccc2ccccc2c1[O-] ZINC000042462545 270032905 /nfs/dbraw/zinc/03/29/05/270032905.db2.gz RAPRMASFYBTSIB-UHFFFAOYSA-N -1 1 298.367 3.274 20 0 CGADMM CS[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000227354596 270087043 /nfs/dbraw/zinc/08/70/43/270087043.db2.gz ODWWRVSQKRPOTJ-QWRGUYRKSA-N -1 1 299.823 3.450 20 0 CGADMM CC[C@H](C)C[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000228855471 270088228 /nfs/dbraw/zinc/08/82/28/270088228.db2.gz SXVSHGZDYRVVRY-UWVGGRQHSA-N -1 1 253.317 3.086 20 0 CGADMM [O-]c1ccc(-c2nc(Cc3ccc(F)cc3)no2)c(F)c1 ZINC000230225985 270088950 /nfs/dbraw/zinc/08/89/50/270088950.db2.gz CTENOBNEYKICJM-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM CC1(C)CN(Cc2cccc([O-])c2Cl)CC(C)(C)O1 ZINC000328438974 270095196 /nfs/dbraw/zinc/09/51/96/270095196.db2.gz CYHLEADHYWGETH-UHFFFAOYSA-N -1 1 283.799 3.435 20 0 CGADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccc([O-])cc1F ZINC000519798030 270097990 /nfs/dbraw/zinc/09/79/90/270097990.db2.gz VXBNTGPLYXFREW-OAHLLOKOSA-N -1 1 289.281 3.088 20 0 CGADMM CC(C)c1nc(=NCC(C)(C)c2ccccc2F)o[n-]1 ZINC000522965767 270107461 /nfs/dbraw/zinc/10/74/61/270107461.db2.gz MYWULCSUBUEZCP-UHFFFAOYSA-N -1 1 277.343 3.144 20 0 CGADMM CC(C)(C)c1cccc(NC(=O)c2cncc([O-])c2)c1O ZINC000186397398 275536970 /nfs/dbraw/zinc/53/69/70/275536970.db2.gz BZHUDQIMYIMMSS-UHFFFAOYSA-N -1 1 286.331 3.043 20 0 CGADMM CC1(C)CC(C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335216913 278188773 /nfs/dbraw/zinc/18/87/73/278188773.db2.gz MRGOWTQOLLDWJJ-UHFFFAOYSA-N -1 1 255.264 3.045 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC2(CC2)C1 ZINC000184098777 280181670 /nfs/dbraw/zinc/18/16/70/280181670.db2.gz VVSUGTXSQGMENJ-UHFFFAOYSA-N -1 1 299.292 3.427 20 0 CGADMM CCCC1(C(=O)Nc2cccc(F)c2[O-])CCC1 ZINC000530005920 288281822 /nfs/dbraw/zinc/28/18/22/288281822.db2.gz OERHPMGFFXNXSG-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM CC[C@H]1C[C@@H](CC(=O)Nc2cccc(F)c2[O-])CCO1 ZINC000530007186 288282423 /nfs/dbraw/zinc/28/24/23/288282423.db2.gz ZNVPSRBOXCJHSU-QWRGUYRKSA-N -1 1 281.327 3.065 20 0 CGADMM CC[C@@H]1C[C@H](CC(=O)Nc2cccc(F)c2[O-])CCO1 ZINC000530007184 288282444 /nfs/dbraw/zinc/28/24/44/288282444.db2.gz ZNVPSRBOXCJHSU-GHMZBOCLSA-N -1 1 281.327 3.065 20 0 CGADMM CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000450142031 281088037 /nfs/dbraw/zinc/08/80/37/281088037.db2.gz KLRRMBZMGGQNCQ-GXSJLCMTSA-N -1 1 251.301 3.296 20 0 CGADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000334143680 281261888 /nfs/dbraw/zinc/26/18/88/281261888.db2.gz FRJVJYDROHEHQU-CABZTGNLSA-N -1 1 297.782 3.315 20 0 CGADMM Cc1nnc([N-]C(=O)c2coc(C3CCCCC3)n2)s1 ZINC000548587237 289012411 /nfs/dbraw/zinc/01/24/11/289012411.db2.gz HEBOVCDAHNVATE-UHFFFAOYSA-N -1 1 292.364 3.135 20 0 CGADMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000560022238 289566800 /nfs/dbraw/zinc/56/68/00/289566800.db2.gz VFYJWUYXFKIILZ-BDAKNGLRSA-N -1 1 293.791 3.192 20 0 CGADMM Cc1nc(-c2nc(=O)c3c(C(C)C)csc3[n-]2)co1 ZINC000345210160 293146704 /nfs/dbraw/zinc/14/67/04/293146704.db2.gz QMQUPKHFOGLWQR-UHFFFAOYSA-N -1 1 275.333 3.484 20 0 CGADMM COc1cc(C(=O)N(C)[C@@H]2CC[C@H](C)C2)cc(Cl)c1[O-] ZINC000334141643 294925463 /nfs/dbraw/zinc/92/54/63/294925463.db2.gz INYDNCAYMGMLFY-GXSJLCMTSA-N -1 1 297.782 3.315 20 0 CGADMM CCCCc1noc([C@@H](C)Sc2ncc(C)c(=O)[n-]2)n1 ZINC000566498159 322127158 /nfs/dbraw/zinc/12/71/58/322127158.db2.gz BPXBDSHOPBRNAB-SECBINFHSA-N -1 1 294.380 3.070 20 0 CGADMM CCCc1nc(C)c(CSc2ncc(C)c(=O)[n-]2)o1 ZINC000566925824 322143756 /nfs/dbraw/zinc/14/37/56/322143756.db2.gz DTHZSKHMFVUCPL-UHFFFAOYSA-N -1 1 279.365 3.032 20 0 CGADMM COc1ccc(C(=O)Nc2ncsc2C(C)C)c([O-])c1 ZINC000567427199 322163105 /nfs/dbraw/zinc/16/31/05/322163105.db2.gz COANULNXPZUMTP-UHFFFAOYSA-N -1 1 292.360 3.233 20 0 CGADMM CCc1nc(S[C@H]2C[C@@H](C)O[C@@H](C)C2)[n-]c(=O)c1C ZINC000568650005 322217499 /nfs/dbraw/zinc/21/74/99/322217499.db2.gz XLEFXBARXMJJFF-JZYVYDRUSA-N -1 1 282.409 3.101 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN(Cc1ccco1)C(C)C ZINC000570521843 322275690 /nfs/dbraw/zinc/27/56/90/322275690.db2.gz MQTIDXHBNHTRLB-UHFFFAOYSA-N -1 1 277.320 3.290 20 0 CGADMM C[C@H](c1ccc(F)cc1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000573258972 322378614 /nfs/dbraw/zinc/37/86/14/322378614.db2.gz AZFYNAJZEMRWNZ-SNVBAGLBSA-N -1 1 277.295 3.310 20 0 CGADMM C[C@@H](Cc1ccsc1)NC(=O)c1c(F)ccc([O-])c1F ZINC000575786644 322489626 /nfs/dbraw/zinc/48/96/26/322489626.db2.gz OIBINTOESCSICY-QMMMGPOBSA-N -1 1 297.326 3.093 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccco2)s1 ZINC000582611401 329116456 /nfs/dbraw/zinc/11/64/56/329116456.db2.gz CMWCFSHZMNIHSG-NSHDSACASA-N -1 1 277.345 3.376 20 0 CGADMM Cc1cnc(CNC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000174387505 335153519 /nfs/dbraw/zinc/15/35/19/335153519.db2.gz YTDRNOUIXKIXAN-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000576353012 335193420 /nfs/dbraw/zinc/19/34/20/335193420.db2.gz MFFHGFRSFICANR-SNVBAGLBSA-N -1 1 277.295 3.310 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H](F)C1 ZINC000577000378 335276311 /nfs/dbraw/zinc/27/63/11/335276311.db2.gz BJONFJUCGMQFNW-ZDUSSCGKSA-N -1 1 273.307 3.120 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H]2C[C@H]2C)c1 ZINC000581579875 336105435 /nfs/dbraw/zinc/10/54/35/336105435.db2.gz VERALIAWTLBKKA-RKDXNWHRSA-N -1 1 298.180 3.448 20 0 CGADMM CSCC1CCC(NC(=O)c2c([O-])cccc2F)CC1 ZINC000385721621 336155010 /nfs/dbraw/zinc/15/50/10/336155010.db2.gz SPTSSAQWFZMTKX-UHFFFAOYSA-N -1 1 297.395 3.183 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CCCSC3)n2)cc1F ZINC000333043318 534451760 /nfs/dbraw/zinc/45/17/60/534451760.db2.gz JXEQDXYUYPTAFB-VIFPVBQESA-N -1 1 280.324 3.192 20 0 CGADMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1F)c1ccsc1 ZINC000426833134 534515270 /nfs/dbraw/zinc/51/52/70/534515270.db2.gz KXMQSJKJHWBGLY-LBPRGKRZSA-N -1 1 299.754 3.456 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC2(C1)CCCC2 ZINC000368417562 534694839 /nfs/dbraw/zinc/69/48/39/534694839.db2.gz AEAGMDMGGZMDOQ-UHFFFAOYSA-N -1 1 299.292 3.427 20 0 CGADMM CC[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000183607920 523562637 /nfs/dbraw/zinc/56/26/37/523562637.db2.gz YEYRNLZNTPDACT-MWLCHTKSSA-N -1 1 283.755 3.189 20 0 CGADMM COc1ccc(CN2CCC(CC(=O)[O-])CC2)cc1Cl ZINC000049903471 524023383 /nfs/dbraw/zinc/02/33/83/524023383.db2.gz VPAVVSZBMKRRRJ-UHFFFAOYSA-N -1 1 297.782 3.035 20 0 CGADMM Cc1ccc([C@@H]2CCCN2C(=O)c2cncc([O-])c2)cc1C ZINC000109957831 525822300 /nfs/dbraw/zinc/82/23/00/525822300.db2.gz CRVPQNIVNGQKGY-KRWDZBQOSA-N -1 1 296.370 3.381 20 0 CGADMM C/C=C/c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436837679 526304244 /nfs/dbraw/zinc/30/42/44/526304244.db2.gz IJXOJSABWVSIIW-NSCUHMNNSA-N -1 1 269.300 3.383 20 0 CGADMM CC1(Cc2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000436873905 528008027 /nfs/dbraw/zinc/00/80/27/528008027.db2.gz QXAOFTUWDVAFNJ-UHFFFAOYSA-N -1 1 264.712 3.438 20 0 CGADMM CCOc1cc(C(=O)N(CC)C2CCC2)cc(Cl)c1[O-] ZINC000358138755 528209288 /nfs/dbraw/zinc/20/92/88/528209288.db2.gz JFQCPXHYXVWHRQ-UHFFFAOYSA-N -1 1 297.782 3.459 20 0 CGADMM CCCCN(CC)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436864293 528393048 /nfs/dbraw/zinc/39/30/48/528393048.db2.gz NHRAOJWNYHROSV-UHFFFAOYSA-N -1 1 285.771 3.316 20 0 CGADMM CC(C)[C@@H]1CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436687694 528703907 /nfs/dbraw/zinc/70/39/07/528703907.db2.gz JOPZVDIKMDTPGM-HNNXBMFYSA-N -1 1 269.344 3.416 20 0 CGADMM CN(Cc1cnc(-c2ccccc2)s1)C(C)(C)C(=O)[O-] ZINC000737496205 572347621 /nfs/dbraw/zinc/34/76/21/572347621.db2.gz RIWOCBVONHIXFC-UHFFFAOYSA-N -1 1 290.388 3.105 20 0 CGADMM Cc1cccc([C@H](C)C(=O)[N-]OCc2ccccc2)c1 ZINC000739684084 572421884 /nfs/dbraw/zinc/42/18/84/572421884.db2.gz JGSYGTGAJZKFTH-AWEZNQCLSA-N -1 1 269.344 3.347 20 0 CGADMM CC(C)c1nnc([N-]C(=O)c2ncoc2C(C)C)s1 ZINC000731876269 572432093 /nfs/dbraw/zinc/43/20/93/572432093.db2.gz QAGFDCMYMGAWCC-UHFFFAOYSA-N -1 1 280.353 3.025 20 0 CGADMM C[C@@H](c1ccc(F)c(F)c1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739177920 572508519 /nfs/dbraw/zinc/50/85/19/572508519.db2.gz QHWWPOMZUAVAGO-ISTVAULSSA-N -1 1 298.333 3.004 20 0 CGADMM CC(C)c1cc(CNC(=O)c2c([O-])cccc2Cl)on1 ZINC000734025882 572624818 /nfs/dbraw/zinc/62/48/18/572624818.db2.gz JQVIDSOAEFQKLF-UHFFFAOYSA-N -1 1 294.738 3.087 20 0 CGADMM Cc1cccc(F)c1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000743720258 572681393 /nfs/dbraw/zinc/68/13/93/572681393.db2.gz WPQAGHRACWRYGN-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM CCC/C=C\C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744771162 572774783 /nfs/dbraw/zinc/77/47/83/572774783.db2.gz FPLUQCPTQAXZNP-WAYWQWQTSA-N -1 1 276.332 3.037 20 0 CGADMM O=C(NCCCOC1CCCC1)c1c([O-])cccc1Cl ZINC000747217710 572919660 /nfs/dbraw/zinc/91/96/60/572919660.db2.gz VEGNGCKAWRIPHE-UHFFFAOYSA-N -1 1 297.782 3.125 20 0 CGADMM CC[C@H](C)CN(CC)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000748566805 572980337 /nfs/dbraw/zinc/98/03/37/572980337.db2.gz NRHWFYUIVQBUGF-NSHDSACASA-N -1 1 293.411 3.122 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1F ZINC000833312812 601620385 /nfs/dbraw/zinc/62/03/85/601620385.db2.gz GTNLQAVAURBPQL-HNNXBMFYSA-N -1 1 288.322 3.189 20 0 CGADMM CC[C@](NC/C(Cl)=C\Cl)(C(=O)[O-])c1ccccc1 ZINC000828989075 602039829 /nfs/dbraw/zinc/03/98/29/602039829.db2.gz PCEREGICOAGXIY-RUNBWSAHSA-N -1 1 288.174 3.285 20 0 CGADMM O=C([O-])[C@@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000901415294 620880629 /nfs/dbraw/zinc/88/06/29/620880629.db2.gz GWPUSISKYKGQNP-MRVPVSSYSA-N -1 1 293.310 3.064 20 0 CGADMM Cc1[n-]n(-c2ccc(Cl)cc2F)c(=O)c1C1CC1 ZINC000899360879 620667188 /nfs/dbraw/zinc/66/71/88/620667188.db2.gz PTFHURGCWBCQTN-LBPRGKRZSA-N -1 1 266.703 3.228 20 0 CGADMM CCc1c(C(C)C)[n-]n(C2CCC(F)(F)CC2)c1=O ZINC000899365684 620673693 /nfs/dbraw/zinc/67/36/93/620673693.db2.gz AJVBBJNPFYPETM-NSHDSACASA-N -1 1 272.339 3.445 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CN(CC(=O)[O-])C2CCCC2)o1 ZINC000086749085 604662523 /nfs/dbraw/zinc/66/25/23/604662523.db2.gz CJJCKRABWXIYOI-RISCZKNCSA-N -1 1 277.364 3.232 20 0 CGADMM CCCC[C@H](CNC(=O)[O-])N[C@H](C)c1cccnc1Cl ZINC000826806760 605112833 /nfs/dbraw/zinc/11/28/33/605112833.db2.gz QMPDNEZAXPXQOI-GHMZBOCLSA-N -1 1 299.802 3.212 20 0 CGADMM C[C@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccoc1 ZINC000825502849 605118677 /nfs/dbraw/zinc/11/86/77/605118677.db2.gz LMDMUVULKPZGIA-RYUDHWBXSA-N -1 1 288.347 3.459 20 0 CGADMM C[C@@H](NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccoc1 ZINC000825502847 605118851 /nfs/dbraw/zinc/11/88/51/605118851.db2.gz LMDMUVULKPZGIA-NEPJUHHUSA-N -1 1 288.347 3.459 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CN[C@@H](CC(C)(C)C)C(=O)[O-])o1 ZINC000833604547 605152767 /nfs/dbraw/zinc/15/27/67/605152767.db2.gz JSUCMAGOABBDJH-RTXFEEFZSA-N -1 1 279.380 3.382 20 0 CGADMM O=C([O-])N(CC1CC1)C1CCN(Cc2ccsc2)CC1 ZINC000834062071 605612407 /nfs/dbraw/zinc/61/24/07/605612407.db2.gz DQYGMNBVCDSGJN-UHFFFAOYSA-N -1 1 294.420 3.103 20 0 CGADMM c1cc(-c2nn[n-]n2)sc1CNc1ccc2c(c1)CCC2 ZINC000823766729 606412323 /nfs/dbraw/zinc/41/23/23/606412323.db2.gz IUTRTAZFAFZKIO-UHFFFAOYSA-N -1 1 297.387 3.029 20 0 CGADMM Fc1cccc(Sc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000822791877 606594311 /nfs/dbraw/zinc/59/43/11/606594311.db2.gz MDNPLANNAHXBCT-UHFFFAOYSA-N -1 1 290.298 3.296 20 0 CGADMM Cc1ccc(Sc2cccc(-c3nnn[n-]3)n2)cc1C ZINC000826293240 607894917 /nfs/dbraw/zinc/89/49/17/607894917.db2.gz HJJQYIKSHDSMBG-UHFFFAOYSA-N -1 1 283.360 3.030 20 0 CGADMM Cc1ccc(Sc2cccc(-c3nn[n-]n3)n2)cc1C ZINC000826293240 607894918 /nfs/dbraw/zinc/89/49/18/607894918.db2.gz HJJQYIKSHDSMBG-UHFFFAOYSA-N -1 1 283.360 3.030 20 0 CGADMM C[C@@H](Sc1cccc(-c2nnn[n-]2)n1)c1cccs1 ZINC000824757275 607899673 /nfs/dbraw/zinc/89/96/73/607899673.db2.gz VNQDHXZZEROXBZ-MRVPVSSYSA-N -1 1 289.389 3.177 20 0 CGADMM C[C@@H](Sc1cccc(-c2nn[n-]n2)n1)c1cccs1 ZINC000824757275 607899674 /nfs/dbraw/zinc/89/96/74/607899674.db2.gz VNQDHXZZEROXBZ-MRVPVSSYSA-N -1 1 289.389 3.177 20 0 CGADMM CCc1ccc(CNCc2nc(C(=O)[O-])c(C)s2)s1 ZINC000900067833 620754551 /nfs/dbraw/zinc/75/45/51/620754551.db2.gz QBHOMVYIPDCXIR-UHFFFAOYSA-N -1 1 296.417 3.063 20 0 CGADMM CC(C)N(C(=O)c1c([O-])cnc2c(F)cccc21)C1CC1 ZINC000900551505 620794829 /nfs/dbraw/zinc/79/48/29/620794829.db2.gz BQCAVQZYEMACRU-UHFFFAOYSA-N -1 1 288.322 3.093 20 0 CGADMM CC(C)(C)CCCCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900575976 620799685 /nfs/dbraw/zinc/79/96/85/620799685.db2.gz KHLAYVAMIYSHOE-UHFFFAOYSA-N -1 1 291.395 3.006 20 0 CGADMM C[C@H]1CCC[C@@H](c2noc(-c3ccc(N)cc3[O-])n2)C1 ZINC000044977641 618618434 /nfs/dbraw/zinc/61/84/34/618618434.db2.gz RWNSTRXTPCYGGY-VHSXEESVSA-N -1 1 273.336 3.318 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1cccs1 ZINC000235191366 618737827 /nfs/dbraw/zinc/73/78/27/618737827.db2.gz YIHRMMCZUXJPQQ-MRVPVSSYSA-N -1 1 265.334 3.199 20 0 CGADMM [O-]c1ccc(Cl)c(F)c1CNc1cccnc1 ZINC000191511597 618779928 /nfs/dbraw/zinc/77/99/28/618779928.db2.gz JRZXBCGQBRLYLX-UHFFFAOYSA-N -1 1 252.676 3.192 20 0 CGADMM Cc1coc(SCc2cc(=O)oc3cc([O-])ccc23)n1 ZINC000188396362 619085292 /nfs/dbraw/zinc/08/52/92/619085292.db2.gz PIOMBKXTZKMYGG-UHFFFAOYSA-N -1 1 289.312 3.087 20 0 CGADMM O=C(NC1(C2CC2)CCC1)c1c([O-])cccc1Cl ZINC000925706803 619155231 /nfs/dbraw/zinc/15/52/31/619155231.db2.gz GQWMTFRGJUVLTP-UHFFFAOYSA-N -1 1 265.740 3.108 20 0 CGADMM C[C@@H](COCC1CCCCC1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000895831996 619894474 /nfs/dbraw/zinc/89/44/74/619894474.db2.gz BXUUBIRWBYVYKU-JTQLQIEISA-N -1 1 299.802 3.233 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000896310911 619991839 /nfs/dbraw/zinc/99/18/39/619991839.db2.gz IEXLHFPLTQBQJS-NQBHXWOUSA-N -1 1 294.782 3.033 20 0 CGADMM Cc1cccc(CO[N-]C(=O)C[C@H](C)c2ccccc2)n1 ZINC000898937898 620611048 /nfs/dbraw/zinc/61/10/48/620611048.db2.gz NQZJQGDLAQJNPX-ZDUSSCGKSA-N -1 1 284.359 3.132 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(CC(=O)[O-])cc2)o1 ZINC000901541896 620920498 /nfs/dbraw/zinc/92/04/98/620920498.db2.gz ZEGLTBNRARPGLT-WBMJQRKESA-N -1 1 299.370 3.320 20 0 CGADMM CCc1nc(SCc2c(F)cncc2F)[n-]c(=O)c1C ZINC000901564914 620931076 /nfs/dbraw/zinc/93/10/76/620931076.db2.gz WCYYZROZNRRWPT-UHFFFAOYSA-N -1 1 297.330 3.019 20 0 CGADMM CCC[C@@H](O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901615486 620954883 /nfs/dbraw/zinc/95/48/83/620954883.db2.gz FEXXFRBXCSYSSX-GFCCVEGCSA-N -1 1 290.388 3.102 20 0 CGADMM CC[C@H](C)C[C@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000901676589 620966290 /nfs/dbraw/zinc/96/62/90/620966290.db2.gz XKPSQRXBPUXJJJ-JQWIXIFHSA-N -1 1 298.452 3.420 20 0 CGADMM CC[C@H](C)C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000901672551 620978847 /nfs/dbraw/zinc/97/88/47/620978847.db2.gz JURXSXASCHQWDD-XCCSTKFXSA-N -1 1 279.380 3.382 20 0 CGADMM O=C([O-])[C@@H](C[C@H]1CCCc2ccccc21)NCc1ccco1 ZINC000901848376 621050648 /nfs/dbraw/zinc/05/06/48/621050648.db2.gz QVOQYZPBMVQOKS-RHSMWYFYSA-N -1 1 299.370 3.333 20 0 CGADMM O=C([O-])C[C@H]1CCCN1Cc1ccc(C(F)(F)F)s1 ZINC000902008433 621097199 /nfs/dbraw/zinc/09/71/99/621097199.db2.gz UQDFECQMPVLGHI-MRVPVSSYSA-N -1 1 293.310 3.206 20 0 CGADMM CSc1ccc(CN2CC[C@H](C)C[C@H]2C(=O)[O-])s1 ZINC000902018607 621104269 /nfs/dbraw/zinc/10/42/69/621104269.db2.gz VDSKJNWKFWMZFF-ONGXEEELSA-N -1 1 285.434 3.155 20 0 CGADMM CCc1oc(CNCc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000902050630 621118550 /nfs/dbraw/zinc/11/85/50/621118550.db2.gz YGVAWNZRGKNANN-UHFFFAOYSA-N -1 1 293.750 3.483 20 0 CGADMM CCc1oc(CNCc2ccc(F)c(C)c2)cc1C(=O)[O-] ZINC000902084593 621130899 /nfs/dbraw/zinc/13/08/99/621130899.db2.gz OHKIZMTYPKLAGB-UHFFFAOYSA-N -1 1 291.322 3.278 20 0 CGADMM CCCOc1ccc(CNCc2ccoc2C(=O)[O-])cc1 ZINC000902103942 621136911 /nfs/dbraw/zinc/13/69/11/621136911.db2.gz GPSAXFLTXCYWEB-UHFFFAOYSA-N -1 1 289.331 3.056 20 0 CGADMM Cc1cc(CN[C@@H]2CCc3c2cccc3C)oc1C(=O)[O-] ZINC000902231853 621204852 /nfs/dbraw/zinc/20/48/52/621204852.db2.gz SRGRMBJIMPSYOJ-OAHLLOKOSA-N -1 1 285.343 3.372 20 0 CGADMM CCc1oc(CNCc2ccccc2CC)cc1C(=O)[O-] ZINC000902294273 621231976 /nfs/dbraw/zinc/23/19/76/621231976.db2.gz WCCOFVIDRJOVDA-UHFFFAOYSA-N -1 1 287.359 3.392 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2cccnc2)s1 ZINC000903688244 621785954 /nfs/dbraw/zinc/78/59/54/621785954.db2.gz VQOXPQXZOILERX-CYBMUJFWSA-N -1 1 288.372 3.178 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCOC2(CCCC2)C1 ZINC000907145441 622282888 /nfs/dbraw/zinc/28/28/88/622282888.db2.gz LDOURFULGBORAV-NSHDSACASA-N -1 1 293.338 3.209 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1[N-]C(=O)C(F)(F)Cc1ccccc1 ZINC000907996966 622321029 /nfs/dbraw/zinc/32/10/29/622321029.db2.gz OCQAJAFBOWDXSA-BETUJISGSA-N -1 1 296.361 3.159 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909985379 622440915 /nfs/dbraw/zinc/44/09/15/622440915.db2.gz JHYNYPBCSBPRQA-SFYZADRCSA-N -1 1 255.264 3.045 20 0 CGADMM CC[C@@H]1CCC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987167 622443464 /nfs/dbraw/zinc/44/34/64/622443464.db2.gz KHAQWZOPBSAVQD-RKDXNWHRSA-N -1 1 269.291 3.435 20 0 CGADMM CSCC1(CC(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC000909988506 622445998 /nfs/dbraw/zinc/44/59/98/622445998.db2.gz MYOYOJSCJSFBGZ-UHFFFAOYSA-N -1 1 287.331 3.142 20 0 CGADMM CC(=O)[C@H](C)CCCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910982869 622513214 /nfs/dbraw/zinc/51/32/14/622513214.db2.gz RQPROJLVDPUGLP-SECBINFHSA-N -1 1 299.317 3.394 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910982933 622513576 /nfs/dbraw/zinc/51/35/76/622513576.db2.gz MODXWLBJLVZYJI-HTQZYQBOSA-N -1 1 255.264 3.045 20 0 CGADMM C[C@H](CC(=O)Nc1cc(F)cc(F)c1[O-])C(F)(F)F ZINC000910994241 622514220 /nfs/dbraw/zinc/51/42/20/622514220.db2.gz UQMPLRNSEUIBIT-RXMQYKEDSA-N -1 1 283.196 3.197 20 0 CGADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910988357 622514309 /nfs/dbraw/zinc/51/43/09/622514309.db2.gz DLIXNYUEOYMFPV-KOLCDFICSA-N -1 1 299.317 3.204 20 0 CGADMM CC[C@@H](C)N(CC)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000912279921 622626422 /nfs/dbraw/zinc/62/64/22/622626422.db2.gz YMLRECBJVPZCDK-SNVBAGLBSA-N -1 1 290.338 3.340 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N(C1CC1)C1CC1 ZINC000913012685 622725651 /nfs/dbraw/zinc/72/56/51/622725651.db2.gz FKANPGAVYUYZBO-UHFFFAOYSA-N -1 1 283.327 3.018 20 0 CGADMM O=C([O-])c1coc(CN[C@H]2CCCc3sccc32)c1 ZINC000228171714 623045922 /nfs/dbraw/zinc/04/59/22/623045922.db2.gz NTSPAPAMMLHEGF-LBPRGKRZSA-N -1 1 277.345 3.207 20 0 CGADMM Cc1ccc(-c2cc(C(=O)Oc3cccc(F)c3)[nH]n2)o1 ZINC000916852807 624220359 /nfs/dbraw/zinc/22/03/59/624220359.db2.gz PQMYDZGIZZGHMG-UHFFFAOYSA-N -1 1 286.262 3.336 20 0 CGADMM CC[C@@H](CO)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000917468350 624274540 /nfs/dbraw/zinc/27/45/40/624274540.db2.gz MCHKHKMYJNQZOC-LBPRGKRZSA-N -1 1 290.388 3.021 20 0 CGADMM O=C(NCc1ccc(F)c(F)c1)c1c([O-])cccc1Cl ZINC000920445230 624494458 /nfs/dbraw/zinc/49/44/58/624494458.db2.gz TXLDYAGMPYQYJM-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM CC(C)N(Cc1cccs1)Cc1cccc(C(=O)[O-])n1 ZINC000232946027 624599622 /nfs/dbraw/zinc/59/96/22/624599622.db2.gz SJPBDZKTPMZSBK-UHFFFAOYSA-N -1 1 290.388 3.252 20 0 CGADMM C[C@]1(C(=O)[N-]OCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000839478465 626355096 /nfs/dbraw/zinc/35/50/96/626355096.db2.gz FYOASWOOJJSWKQ-AEFFLSMTSA-N -1 1 281.355 3.428 20 0 CGADMM CC(C)Oc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000756284763 626689089 /nfs/dbraw/zinc/68/90/89/626689089.db2.gz DGDRHJYLSSHOLF-UHFFFAOYSA-N -1 1 289.331 3.055 20 0 CGADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)c1nccs1 ZINC000756690053 626726465 /nfs/dbraw/zinc/72/64/65/626726465.db2.gz XOQSFMZCSGBTJU-MRVPVSSYSA-N -1 1 296.779 3.036 20 0 CGADMM Cc1cnc(C(=O)N(C)C2CCCCCCC2)c([O-])c1 ZINC000763250095 627147064 /nfs/dbraw/zinc/14/70/64/627147064.db2.gz YZOWTMGQLILLQI-UHFFFAOYSA-N -1 1 276.380 3.281 20 0 CGADMM O=C(OC/C(Cl)=C/Cl)c1cc(-c2ccco2)n[nH]1 ZINC000763920198 627185009 /nfs/dbraw/zinc/18/50/09/627185009.db2.gz KIAGATKKNJOPCS-ALCCZGGFSA-N -1 1 287.102 3.146 20 0 CGADMM C[C@@H]1C[C@H](CC(=O)[N-]OCC(F)(F)F)CC(C)(C)C1 ZINC000766774343 627360020 /nfs/dbraw/zinc/36/00/20/627360020.db2.gz OTCQTUMFMIMDNU-NXEZZACHSA-N -1 1 281.318 3.449 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC=C(c2ccccc2)C1 ZINC000768411326 627479333 /nfs/dbraw/zinc/47/93/33/627479333.db2.gz RYVCJIZBALBWMD-UHFFFAOYSA-N -1 1 283.302 3.071 20 0 CGADMM CC1(C)CC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000768890302 627506155 /nfs/dbraw/zinc/50/61/55/627506155.db2.gz QUUJJZLASNRONK-VIFPVBQESA-N -1 1 267.756 3.354 20 0 CGADMM CC[C@@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000769570780 627567481 /nfs/dbraw/zinc/56/74/81/627567481.db2.gz SQKASNWENXYRCU-SNVBAGLBSA-N -1 1 267.756 3.450 20 0 CGADMM CCC[C@H](C)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769693963 627573133 /nfs/dbraw/zinc/57/31/33/627573133.db2.gz RYRMXYHIFUXDLZ-VIFPVBQESA-N -1 1 255.745 3.306 20 0 CGADMM CCC[C@@H]1SCCN1C(=O)c1c([O-])cccc1Cl ZINC000769860390 627584118 /nfs/dbraw/zinc/58/41/18/627584118.db2.gz YBGUCLZIPAVNBE-NSHDSACASA-N -1 1 285.796 3.361 20 0 CGADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769948487 627591772 /nfs/dbraw/zinc/59/17/72/627591772.db2.gz UVTCUNXGABQGFS-CMPLNLGQSA-N -1 1 299.823 3.450 20 0 CGADMM Cc1noc(C(C)C)c1C(=O)[N-]c1nc(C(C)C)ns1 ZINC000874697838 634595841 /nfs/dbraw/zinc/59/58/41/634595841.db2.gz GHHRZFZGVMEHOT-UHFFFAOYSA-N -1 1 294.380 3.334 20 0 CGADMM CC(C)(NC(=O)c1c([O-])cccc1F)c1ccc(F)cc1 ZINC000772844040 627828516 /nfs/dbraw/zinc/82/85/16/627828516.db2.gz PJTBSYPHZDKVIZ-UHFFFAOYSA-N -1 1 291.297 3.336 20 0 CGADMM COCc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000774094021 627944441 /nfs/dbraw/zinc/94/44/41/627944441.db2.gz CYQQDBWSRNWBAY-UHFFFAOYSA-N -1 1 293.269 3.069 20 0 CGADMM Cc1nc(SCc2cnc(Cl)s2)[n-]c(=O)c1C ZINC000776867480 628237674 /nfs/dbraw/zinc/23/76/74/628237674.db2.gz IORWIUXUZJVGBZ-UHFFFAOYSA-N -1 1 287.797 3.201 20 0 CGADMM C[C@@]1(CC(=O)[N-]Oc2ccccc2F)CC1(Cl)Cl ZINC000874910847 634649620 /nfs/dbraw/zinc/64/96/20/634649620.db2.gz IZIOLXSKKLGLJS-LLVKDONJSA-N -1 1 292.137 3.210 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H](F)Cc1ccccc1 ZINC000778402603 628349163 /nfs/dbraw/zinc/34/91/63/628349163.db2.gz CPBAARHXKIFLAD-LBPRGKRZSA-N -1 1 277.270 3.051 20 0 CGADMM COc1cc(C=C2SC(=O)[N-]C2=O)cc2ccccc21 ZINC000874929553 634654156 /nfs/dbraw/zinc/65/41/56/634654156.db2.gz HNMFQWBPPMNTTJ-JYRVWZFOSA-N -1 1 285.324 3.172 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)NC[C@H]1CC=CCC1 ZINC000875161356 634680912 /nfs/dbraw/zinc/68/09/12/634680912.db2.gz KIZZSSJEDIRJGK-NSHDSACASA-N -1 1 294.782 3.201 20 0 CGADMM CC(C)[C@H](NC(=O)c1c([O-])cccc1Cl)C(F)(F)F ZINC000787697820 629022978 /nfs/dbraw/zinc/02/29/78/629022978.db2.gz YDJGNMRGLCNXMY-JTQLQIEISA-N -1 1 295.688 3.362 20 0 CGADMM C[C@@H](Cc1ccccc1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000789929678 629174435 /nfs/dbraw/zinc/17/44/35/629174435.db2.gz BBGUAWLSHYJAGG-JTQLQIEISA-N -1 1 290.750 3.258 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc2c1CCC2 ZINC000790047047 629179865 /nfs/dbraw/zinc/17/98/65/629179865.db2.gz BCBSTRFHTNWFSE-UHFFFAOYSA-N -1 1 288.734 3.182 20 0 CGADMM CC(C)(C)CCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790057032 629181038 /nfs/dbraw/zinc/18/10/38/629181038.db2.gz SJZUBXRBEWXMNI-UHFFFAOYSA-N -1 1 256.733 3.205 20 0 CGADMM CC(C)SCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000863335987 629536672 /nfs/dbraw/zinc/53/66/72/629536672.db2.gz PUSYBCPGXFDAIJ-UHFFFAOYSA-N -1 1 266.338 3.311 20 0 CGADMM CC1=C(C)CN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000796467153 629785759 /nfs/dbraw/zinc/78/57/59/629785759.db2.gz APGFLSKCJQAHQE-UHFFFAOYSA-N -1 1 265.740 3.228 20 0 CGADMM COC(=O)c1ccc(C(=O)Oc2ccc3ccccc3c2)[n-]1 ZINC000796748106 629824967 /nfs/dbraw/zinc/82/49/67/629824967.db2.gz OZHGUJVVVQFRAO-UHFFFAOYSA-N -1 1 295.294 3.174 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc(C)c(Cl)n2)n1 ZINC000865362814 630074809 /nfs/dbraw/zinc/07/48/09/630074809.db2.gz BQLWQYYTVJCWQP-UHFFFAOYSA-N -1 1 295.795 3.394 20 0 CGADMM COc1ccccc1CO[N-]C(=O)[C@H](C)c1ccsc1 ZINC000799090300 630141178 /nfs/dbraw/zinc/14/11/78/630141178.db2.gz KNHRKJCCKNICAE-LLVKDONJSA-N -1 1 291.372 3.108 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCSC[C@@H]1C1CC1 ZINC000836859777 634817972 /nfs/dbraw/zinc/81/79/72/634817972.db2.gz RRTMKSYTQJEATR-LLVKDONJSA-N -1 1 297.807 3.013 20 0 CGADMM C[C@@H](C(=O)[N-]OC1CCC1)c1cccc(Cl)c1 ZINC000812791948 631310196 /nfs/dbraw/zinc/31/01/96/631310196.db2.gz FEXMALUIVLWYAI-SECBINFHSA-N -1 1 253.729 3.044 20 0 CGADMM CCCCC[C@H](NCc1cccc([O-])c1Cl)C(=O)OC ZINC000816589720 632019521 /nfs/dbraw/zinc/01/95/21/632019521.db2.gz GJCJLJNCTFEFLJ-LBPRGKRZSA-N -1 1 299.798 3.257 20 0 CGADMM COc1cnc(C=Cc2cc(C)c(C)cc2C)[n-]c1=O ZINC000821008921 632711662 /nfs/dbraw/zinc/71/16/62/632711662.db2.gz UPGYMCYBITVEEU-AATRIKPKSA-N -1 1 270.332 3.286 20 0 CGADMM CCC[C@@H](CC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000823439072 633106181 /nfs/dbraw/zinc/10/61/81/633106181.db2.gz LJWLHFGDYVWAKI-MRVPVSSYSA-N -1 1 257.280 3.435 20 0 CGADMM CC1(C)CC[C@@H](CC(=O)Nc2ccc([O-])c(F)c2F)OC1 ZINC000880237009 635948075 /nfs/dbraw/zinc/94/80/75/635948075.db2.gz OJHKVEGZWZZLKB-VIFPVBQESA-N -1 1 299.317 3.204 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2scnc2Cl)n1 ZINC000871666856 633817710 /nfs/dbraw/zinc/81/77/10/633817710.db2.gz TYNQKASZMPGAFX-UHFFFAOYSA-N -1 1 287.797 3.147 20 0 CGADMM CC1(C)CCc2c([n-]n(Cc3ccccc3)c2=O)C1 ZINC000871940323 633921614 /nfs/dbraw/zinc/92/16/14/633921614.db2.gz QTDJRLWMLSAUMV-ZDUSSCGKSA-N -1 1 256.349 3.211 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3cc(Cl)ccc3F)c(=O)c21 ZINC000871963271 633930741 /nfs/dbraw/zinc/93/07/41/633930741.db2.gz MTZFZZAPRZAHNW-KRTXAFLBSA-N -1 1 266.703 3.228 20 0 CGADMM Cc1ccc(-c2noc([N-][C@H](C)c3nccnc3C)n2)cc1 ZINC000872769337 634204674 /nfs/dbraw/zinc/20/46/74/634204674.db2.gz SEAVZLUDJPGGHB-GFCCVEGCSA-N -1 1 295.346 3.317 20 0 CGADMM O=C(OC[C@H]1CCC(F)(F)C1)c1ccc([O-])cc1F ZINC000837611341 634949332 /nfs/dbraw/zinc/94/93/32/634949332.db2.gz IIPMHGHSCXOLAP-QMMMGPOBSA-N -1 1 274.238 3.124 20 0 CGADMM O=C([O-])[C@@H](NCc1ccc2c(c1)CCC2)c1ccccc1F ZINC000841795115 635237345 /nfs/dbraw/zinc/23/73/45/635237345.db2.gz GTHMLYSQVZVBGR-KRWDZBQOSA-N -1 1 299.345 3.230 20 0 CGADMM CCON(C(=O)c1cc2ccccc2cc1[O-])C(C)C ZINC000844081572 635816406 /nfs/dbraw/zinc/81/64/06/635816406.db2.gz FAJKRVOHNNEDCT-UHFFFAOYSA-N -1 1 273.332 3.348 20 0 CGADMM C[C@@H](C(=O)[N-]OCC(F)(F)F)c1ccc(Cl)cc1 ZINC000845831829 636104756 /nfs/dbraw/zinc/10/47/56/636104756.db2.gz TXEAUEOPSHOUTR-SSDOTTSWSA-N -1 1 281.661 3.054 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](CF)C1 ZINC000881591240 636155524 /nfs/dbraw/zinc/15/55/24/636155524.db2.gz KRFLMMAEIAUTJN-LBPRGKRZSA-N -1 1 287.334 3.367 20 0 CGADMM CC[C@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@@H](CC)CO1 ZINC000846374732 636180275 /nfs/dbraw/zinc/18/02/75/636180275.db2.gz KGXBELWKCTVHJW-QWRGUYRKSA-N -1 1 297.782 3.075 20 0 CGADMM CC[C@](C)([N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000849466197 636825084 /nfs/dbraw/zinc/82/50/84/636825084.db2.gz DWGZYCDEJNPHRE-HNNXBMFYSA-N -1 1 293.388 3.290 20 0 CGADMM CCc1nc(SCCCCCCCO)[n-]c(=O)c1C ZINC000849921290 636909235 /nfs/dbraw/zinc/90/92/35/636909235.db2.gz KESIAAGVTFUMDV-UHFFFAOYSA-N -1 1 284.425 3.088 20 0 CGADMM Cc1nc(SCCC2SCCS2)[n-]c(=O)c1C ZINC000853019694 637734971 /nfs/dbraw/zinc/73/49/71/637734971.db2.gz YNRYMEWTXQDMSZ-UHFFFAOYSA-N -1 1 288.463 3.087 20 0 CGADMM CCCc1[n-]n([C@H]2CC(C)(C)OC2(C)C)c(=O)c1CC ZINC000887296943 637792026 /nfs/dbraw/zinc/79/20/26/637792026.db2.gz OMUUXBMPBNYQJU-AAEUAGOBSA-N -1 1 280.412 3.357 20 0 CGADMM CCCCC[C@@H](O)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678307 638047529 /nfs/dbraw/zinc/04/75/29/638047529.db2.gz MRQFWABTWLIEAX-LLVKDONJSA-N -1 1 289.734 3.064 20 0 CGADMM C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678363 638047562 /nfs/dbraw/zinc/04/75/62/638047562.db2.gz NQGHTFBGXWRWFR-SFYZADRCSA-N -1 1 299.729 3.129 20 0 CGADMM CCOc1ccc(C[C@H](C)C(=O)[N-]Oc2ccccc2)cc1 ZINC000854535501 638067253 /nfs/dbraw/zinc/06/72/53/638067253.db2.gz ABPSERTXUAXTPB-AWEZNQCLSA-N -1 1 299.370 3.374 20 0 CGADMM C[C@H]1CSCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000889914121 638132981 /nfs/dbraw/zinc/13/29/81/638132981.db2.gz XYJLBWVNNSPSCZ-VIFPVBQESA-N -1 1 285.796 3.013 20 0 CGADMM CC[C@@H]1CCC[C@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858419565 638711336 /nfs/dbraw/zinc/71/13/36/638711336.db2.gz ODZRCOBZGRLXQX-BDAKNGLRSA-N -1 1 255.749 3.216 20 0 CGADMM O=c1nc(N[C@H]2CCOC3(CCCCC3)C2)cc(Cl)[n-]1 ZINC000858451364 638722927 /nfs/dbraw/zinc/72/29/27/638722927.db2.gz WBIHEPVUQKLURI-JTQLQIEISA-N -1 1 297.786 3.129 20 0 CGADMM CC[C@H]1CCCC[C@@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858558611 638761740 /nfs/dbraw/zinc/76/17/40/638761740.db2.gz WEWJNJBMIKXWFK-VHSXEESVSA-N -1 1 269.776 3.464 20 0 CGADMM CC(C)=CCC[C@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858560703 638761938 /nfs/dbraw/zinc/76/19/38/638761938.db2.gz SVYQMPKEFYEVPK-VIFPVBQESA-N -1 1 255.749 3.382 20 0 CGADMM COc1ccc(C(=O)Nc2cnc(Cl)cc2C)c([O-])c1 ZINC000155588398 639940632 /nfs/dbraw/zinc/94/06/32/639940632.db2.gz LFAMZEBXZAIYFE-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM CC(C)(NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC000188256611 640125862 /nfs/dbraw/zinc/12/58/62/640125862.db2.gz SWNASBVRDFREQG-UHFFFAOYSA-N -1 1 298.317 3.068 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])C1(c2ccccc2)CC1 ZINC000188351252 640132021 /nfs/dbraw/zinc/13/20/21/640132021.db2.gz KTSVBRWADMXXSA-UHFFFAOYSA-N -1 1 288.734 3.111 20 0 CGADMM [O-]c1ccc(Cl)c(F)c1CNc1ccccn1 ZINC000191516380 640316890 /nfs/dbraw/zinc/31/68/90/640316890.db2.gz DGPYISIMPLBTDE-UHFFFAOYSA-N -1 1 252.676 3.192 20 0 CGADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](C(F)(F)F)C1 ZINC000091782799 640721456 /nfs/dbraw/zinc/72/14/56/640721456.db2.gz WRVCUSKBSRGSMP-IUCAKERBSA-N -1 1 291.269 3.313 20 0 CGADMM O=C(NCC1CCC(F)(F)CC1)c1cccc([O-])c1F ZINC001155515762 805587568 /nfs/dbraw/zinc/58/75/68/805587568.db2.gz GFYREOGXHJCWFH-UHFFFAOYSA-N -1 1 287.281 3.087 20 0 CGADMM [O-]c1ccc(Cl)c(-c2nccc(N3CCCC3)n2)c1F ZINC001250498666 805654845 /nfs/dbraw/zinc/65/48/45/805654845.db2.gz DZCRAYIFZVQBMF-UHFFFAOYSA-N -1 1 293.729 3.242 20 0 CGADMM Cc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nn1 ZINC001250520160 805671431 /nfs/dbraw/zinc/67/14/31/805671431.db2.gz RUTLUSKVKPBVRW-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM O=c1[nH]cccc1-c1nc2c(cc(F)cc2C(F)(F)F)[n-]1 ZINC001250523929 805674245 /nfs/dbraw/zinc/67/42/45/805674245.db2.gz LHLUKOWQHCQNLO-UHFFFAOYSA-N -1 1 297.211 3.488 20 0 CGADMM COc1ncccc1-c1c(F)ccc([O-])c1Cl ZINC001250534880 805683365 /nfs/dbraw/zinc/68/33/65/805683365.db2.gz RJVCFAATYUKLPB-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM CC(=O)Nc1ccc2[nH]c(-c3c([O-])cccc3F)nc2c1 ZINC001250673628 805753637 /nfs/dbraw/zinc/75/36/37/805753637.db2.gz CADJYCRCEVTSDY-UHFFFAOYSA-N -1 1 285.278 3.033 20 0 CGADMM Cc1cc(F)cc2[nH]c(-c3sccc3C(=O)[O-])nc21 ZINC001251011982 805827502 /nfs/dbraw/zinc/82/75/02/805827502.db2.gz VFBXPMIVKXCKSB-UHFFFAOYSA-N -1 1 276.292 3.437 20 0 CGADMM Cc1nc(Cl)ccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001157811322 805876076 /nfs/dbraw/zinc/87/60/76/805876076.db2.gz AOMWHEUGWGDXBD-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM COc1cc2nc(-c3ccc(F)c([O-])c3)[nH]c2cc1C ZINC001251477884 805899361 /nfs/dbraw/zinc/89/93/61/805899361.db2.gz XXTGXPYAHWGGFS-UHFFFAOYSA-N -1 1 272.279 3.392 20 0 CGADMM CC(=O)c1ccc2[n-]c(C3OC=CC3=S)nc2c1 ZINC001251546892 805906379 /nfs/dbraw/zinc/90/63/79/805906379.db2.gz RUMCNYDXWCRLFI-UHFFFAOYSA-N -1 1 258.302 3.314 20 0 CGADMM O=C([O-])c1cc(F)ccc1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001251724053 805925067 /nfs/dbraw/zinc/92/50/67/805925067.db2.gz CJACPCONWVIZGK-UHFFFAOYSA-N -1 1 298.273 3.002 20 0 CGADMM O=S(=O)(/C=C/c1ccccc1)[N-]c1cccs1 ZINC001252957321 806140797 /nfs/dbraw/zinc/14/07/97/806140797.db2.gz ADWXSUMDNSTCTF-CSKARUKUSA-N -1 1 265.359 3.161 20 0 CGADMM CCCS(=O)(=O)[N-]c1cccc2cc(Cl)cnc21 ZINC001253698921 806281432 /nfs/dbraw/zinc/28/14/32/806281432.db2.gz ZXRWBJJDDCCCDY-UHFFFAOYSA-N -1 1 284.768 3.040 20 0 CGADMM [O-]c1cccnc1-c1nnc([C@@H]2C[C@H]2c2ccccc2)o1 ZINC001254515244 806434783 /nfs/dbraw/zinc/43/47/83/806434783.db2.gz YQFZWNFLOAFHNZ-NWDGAFQWSA-N -1 1 279.299 3.108 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)N=NC2 ZINC001254626414 806462684 /nfs/dbraw/zinc/46/26/84/806462684.db2.gz UXEOHZSFVDDRIL-UHFFFAOYSA-N -1 1 287.344 3.393 20 0 CGADMM O=C([O-])CC[C@H]1CCCN(Cc2ccc(F)cc2F)C1 ZINC000050885404 798896105 /nfs/dbraw/zinc/89/61/05/798896105.db2.gz WIKROVQPOOUAEM-LLVKDONJSA-N -1 1 283.318 3.042 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)CCC(C)(C)C)c1 ZINC001163151228 806708791 /nfs/dbraw/zinc/70/87/91/806708791.db2.gz CSZIKMDRCRHXIG-UHFFFAOYSA-N -1 1 277.364 3.021 20 0 CGADMM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000164161776 799084088 /nfs/dbraw/zinc/08/40/88/799084088.db2.gz PILLEBCNRVEMRW-VHSXEESVSA-N -1 1 253.317 3.086 20 0 CGADMM C=C(C)C[C@@H](C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000189978879 799123034 /nfs/dbraw/zinc/12/30/34/799123034.db2.gz PTLCFFLDORKAKE-MRVPVSSYSA-N -1 1 299.168 3.091 20 0 CGADMM CC(C)CCCCNC(=O)c1ccc([O-])cc1F ZINC000229788270 799139128 /nfs/dbraw/zinc/13/91/28/799139128.db2.gz VBMJJEJCFKINHK-UHFFFAOYSA-N -1 1 253.317 3.087 20 0 CGADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(F)c(Cl)c1 ZINC000235360477 799144461 /nfs/dbraw/zinc/14/44/61/799144461.db2.gz XBDNFNRIDKWGQY-MWLCHTKSSA-N -1 1 285.746 3.164 20 0 CGADMM CC[C@@H](NC(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000323884234 799248370 /nfs/dbraw/zinc/24/83/70/799248370.db2.gz VHBQMFZJCXBJSB-LLVKDONJSA-N -1 1 298.180 3.073 20 0 CGADMM COc1ccccc1CN(C)Cc1ccc(C(=O)[O-])cc1C ZINC000389792945 799465661 /nfs/dbraw/zinc/46/56/61/799465661.db2.gz NYAVEQASZXCMLC-UHFFFAOYSA-N -1 1 299.370 3.334 20 0 CGADMM O=C(NC1C[C@H]2CC[C@@H](C1)S2)c1cc(Cl)ccc1[O-] ZINC000403638811 799569654 /nfs/dbraw/zinc/56/96/54/799569654.db2.gz BBHVFCZOGXZGQP-FGWVZKOKSA-N -1 1 297.807 3.202 20 0 CGADMM CC1(C)CC(CNC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000701455499 799888133 /nfs/dbraw/zinc/88/81/33/799888133.db2.gz YKDCUBZTOINTBY-UHFFFAOYSA-N -1 1 267.756 3.212 20 0 CGADMM CSCC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000719313134 800237075 /nfs/dbraw/zinc/23/70/75/800237075.db2.gz MIOGDNKHYQEARF-UHFFFAOYSA-N -1 1 299.823 3.261 20 0 CGADMM CCOc1ccc(-c2nnc(CC(C)C)o2)c([O-])c1 ZINC001256412387 806888281 /nfs/dbraw/zinc/88/82/81/806888281.db2.gz HOCHRGQRVLZDJZ-UHFFFAOYSA-N -1 1 262.309 3.039 20 0 CGADMM C[C@H]1C[C@@H]1c1nnc(-c2ccc3cccnc3c2[O-])o1 ZINC001256627774 806931673 /nfs/dbraw/zinc/93/16/73/806931673.db2.gz YSZJWTXCHWKFOS-KWQFWETISA-N -1 1 267.288 3.114 20 0 CGADMM O=C(Nc1ncccc1[O-])C(F)(F)c1ccc(Cl)cc1 ZINC001115852472 802282442 /nfs/dbraw/zinc/28/24/42/802282442.db2.gz PSWIVTMUCJJBRD-UHFFFAOYSA-N -1 1 298.676 3.171 20 0 CGADMM C[C@H]1CCC(F)(F)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC001120740619 802770733 /nfs/dbraw/zinc/77/07/33/802770733.db2.gz DJFQMNPGWNGLQS-QMMMGPOBSA-N -1 1 289.709 3.305 20 0 CGADMM O=c1nc(NC[C@@H]2C[C@H]2C2CCCC2)cc(Cl)[n-]1 ZINC001120916359 802793373 /nfs/dbraw/zinc/79/33/73/802793373.db2.gz VGGNJPXFKFGNRA-UWVGGRQHSA-N -1 1 267.760 3.074 20 0 CGADMM Cc1ccc(Nc2cc(F)c([O-])cc2F)cc1O ZINC001211701683 814935080 /nfs/dbraw/zinc/93/50/80/814935080.db2.gz LVJFKABEVLDDBF-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM COc1cc(C)cc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001211721725 814936321 /nfs/dbraw/zinc/93/63/21/814936321.db2.gz PKMXVBHZVMRMPQ-UHFFFAOYSA-N -1 1 271.276 3.390 20 0 CGADMM Cc1cc(-c2c([O-])cccc2Cl)nc2[nH]cnc21 ZINC001244033443 803153342 /nfs/dbraw/zinc/15/33/42/803153342.db2.gz CYHYTFYABUEUFD-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM C[C@H]1Oc2ccc(-c3cc(F)c([O-])c(F)c3)cc2NC1=O ZINC001244094977 803182400 /nfs/dbraw/zinc/18/24/00/803182400.db2.gz YGDMHQYSHNZDQW-SSDOTTSWSA-N -1 1 291.253 3.057 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3c(c2)OCO3)cc1F ZINC001244095458 803183853 /nfs/dbraw/zinc/18/38/53/803183853.db2.gz AKJUSTOSIRJDCC-UHFFFAOYSA-N -1 1 250.200 3.066 20 0 CGADMM [O-]c1c(F)cc(-c2cc(F)c3nccnc3c2)cc1F ZINC001244096911 803185437 /nfs/dbraw/zinc/18/54/37/803185437.db2.gz KWLLYYHVEDESLB-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM COc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1C(C)C ZINC001244129595 803200753 /nfs/dbraw/zinc/20/07/53/803200753.db2.gz MLKVOWYQNGZQRF-UHFFFAOYSA-N -1 1 295.346 3.061 20 0 CGADMM COc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1C(C)C ZINC001244129595 803200755 /nfs/dbraw/zinc/20/07/55/803200755.db2.gz MLKVOWYQNGZQRF-UHFFFAOYSA-N -1 1 295.346 3.061 20 0 CGADMM COc1cc(C(=O)[O-])cc(-c2cc(N3CCCC3)ccn2)c1 ZINC001244176827 803227122 /nfs/dbraw/zinc/22/71/22/803227122.db2.gz XTLXHNBOMLUWST-UHFFFAOYSA-N -1 1 298.342 3.056 20 0 CGADMM COC(=O)c1cccc2nc(-c3cc(C)ccc3[O-])ncc21 ZINC001244402588 803351298 /nfs/dbraw/zinc/35/12/98/803351298.db2.gz XYJZYCSOULLIEU-UHFFFAOYSA-N -1 1 294.310 3.097 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3cncn3c2)cc1Cl ZINC001244500054 803406409 /nfs/dbraw/zinc/40/64/09/803406409.db2.gz APXURWQKZPUHRI-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM COC(=O)c1ccnc(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244529588 803422047 /nfs/dbraw/zinc/42/20/47/803422047.db2.gz CVSJESRZOVKCKS-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Cc1cc(-c2ncc(OC(F)F)cn2)cc(Cl)c1[O-] ZINC001244532000 803422464 /nfs/dbraw/zinc/42/24/64/803422464.db2.gz TZESAJYZDAOPRL-UHFFFAOYSA-N -1 1 286.665 3.412 20 0 CGADMM CC(=O)Nc1ccc(-c2cc(C)c([O-])c(Cl)c2)nc1 ZINC001244537137 803424075 /nfs/dbraw/zinc/42/40/75/803424075.db2.gz WFDCLNLDWJDTOH-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM Cc1cc(-c2cn3ccnc3cn2)cc(Cl)c1[O-] ZINC001244538065 803424964 /nfs/dbraw/zinc/42/49/64/803424964.db2.gz QPILORLVYWOHKO-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM COC(=O)c1ccnc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244539172 803427214 /nfs/dbraw/zinc/42/72/14/803427214.db2.gz YGURKQXYKFIOHV-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM Cc1cc2c(c(-c3cccc(C4CCC4)c3)n1)C(=O)[N-]C2=O ZINC001244979350 803602312 /nfs/dbraw/zinc/60/23/12/803602312.db2.gz LOCALPGCYGKCIH-UHFFFAOYSA-N -1 1 292.338 3.208 20 0 CGADMM O=C(NCCc1cccc(Cl)c1)c1ccc(F)c([O-])c1 ZINC001135613552 803607496 /nfs/dbraw/zinc/60/74/96/803607496.db2.gz VMDZVFBGKMKOEN-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1ccc2[nH]ccc2c1 ZINC001136142917 803633040 /nfs/dbraw/zinc/63/30/40/803633040.db2.gz VVYHABDGPCZJRA-UHFFFAOYSA-N -1 1 282.299 3.134 20 0 CGADMM Cc1cnc(C(=O)NCc2csc3ccccc23)c([O-])c1 ZINC001136245708 803637164 /nfs/dbraw/zinc/63/71/64/803637164.db2.gz WTEAHZFWAQIRIS-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM Cc1c(C(=O)[O-])cccc1-c1cc2[nH]ccc2cn1 ZINC001245296930 803693506 /nfs/dbraw/zinc/69/35/06/803693506.db2.gz LFGFAUGAIYKFGU-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM COc1cc(F)c(NC(=O)c2cccc([O-])c2F)cc1F ZINC001137534959 803739416 /nfs/dbraw/zinc/73/94/16/803739416.db2.gz QMSMBHDKOLJJBC-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM Nc1cccc(C(=S)Nc2ccc([O-])c(F)c2F)c1 ZINC001212010837 814966928 /nfs/dbraw/zinc/96/69/28/814966928.db2.gz BHZGMUDDVLMAQM-UHFFFAOYSA-N -1 1 280.299 3.040 20 0 CGADMM Cc1ccc2c(ncnc2-c2c(F)ccc([O-])c2Cl)n1 ZINC001245830259 803983987 /nfs/dbraw/zinc/98/39/87/803983987.db2.gz JMLKCDHZQCNZQP-UHFFFAOYSA-N -1 1 289.697 3.498 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3sncc32)c1Cl ZINC001245830420 803983999 /nfs/dbraw/zinc/98/39/99/803983999.db2.gz NJWLHLGZMJAEKA-UHFFFAOYSA-N -1 1 281.699 3.251 20 0 CGADMM COC(=O)c1cnc(-c2c(F)ccc([O-])c2Cl)cc1F ZINC001245830484 803984472 /nfs/dbraw/zinc/98/44/72/803984472.db2.gz PFXINSJRBZDAMH-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM CCc1ncc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245832449 803985848 /nfs/dbraw/zinc/98/58/48/803985848.db2.gz YCWFUUSGQKVXGP-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM COC(=O)c1cc(-c2c(F)ccc([O-])c2Cl)cnc1C ZINC001245832175 803986824 /nfs/dbraw/zinc/98/68/24/803986824.db2.gz NJIMEXWWTNDJIB-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COC(=O)c1ccc(-c2c(F)ccc([O-])c2Cl)c(C)n1 ZINC001245831228 803986856 /nfs/dbraw/zinc/98/68/56/803986856.db2.gz HXACZWOAVWUSEO-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COCOc1ccc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245836268 803990191 /nfs/dbraw/zinc/99/01/91/803990191.db2.gz ZILOJFBEUGIFFV-UHFFFAOYSA-N -1 1 283.686 3.229 20 0 CGADMM CCc1cc(=O)n(-c2ccc(F)cc2C(F)(F)F)[n-]1 ZINC001245918459 804046672 /nfs/dbraw/zinc/04/66/72/804046672.db2.gz XGVCALWNWJIREG-UHFFFAOYSA-N -1 1 274.217 3.298 20 0 CGADMM COc1cccc(-n2[n-]c(CC3CCCC3)cc2=O)c1 ZINC001245931970 804061003 /nfs/dbraw/zinc/06/10/03/804061003.db2.gz KWCPKLYIBRXYRS-UHFFFAOYSA-N -1 1 272.348 3.319 20 0 CGADMM CC(C)(C)NC(=S)n1[n-]c(C2CCCCC2)cc1=O ZINC001245936102 804065908 /nfs/dbraw/zinc/06/59/08/804065908.db2.gz MEVJIFGQEJUTSJ-UHFFFAOYSA-N -1 1 281.425 3.158 20 0 CGADMM CCCCCc1cc(=O)n(-c2ccc(NC(C)=O)cc2)[n-]1 ZINC001245943179 804075930 /nfs/dbraw/zinc/07/59/30/804075930.db2.gz PJGHLEAYXFJUKR-UHFFFAOYSA-N -1 1 287.363 3.269 20 0 CGADMM CN(C)c1ccc(-c2cc(=O)n(C3CCCC3)[n-]2)cc1 ZINC001245945349 804078406 /nfs/dbraw/zinc/07/84/06/804078406.db2.gz WZTNLOOKGREUQJ-UHFFFAOYSA-N -1 1 271.364 3.437 20 0 CGADMM Cc1cc(Nc2c([O-])cc(F)cc2F)cnc1F ZINC001212186152 814990117 /nfs/dbraw/zinc/99/01/17/814990117.db2.gz OAHIXWRAPFHPLA-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM COc1cccc(C)c1NC(=O)c1ccc(F)c([O-])c1 ZINC001139431203 804188431 /nfs/dbraw/zinc/18/84/31/804188431.db2.gz MRANSZLCAZPMPC-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM c1nnc([N-]c2ccc(CNc3ccccc3)cc2)o1 ZINC001212297975 815003560 /nfs/dbraw/zinc/00/35/60/815003560.db2.gz LGPOAZYFNLXWEU-UHFFFAOYSA-N -1 1 266.304 3.425 20 0 CGADMM O=C(/C=C/c1cccc(F)c1)Nc1cc([O-])c(F)cc1F ZINC001141833342 804671551 /nfs/dbraw/zinc/67/15/51/804671551.db2.gz AOWFZNQUACYKCC-SNAWJCMRSA-N -1 1 293.244 3.461 20 0 CGADMM Cc1nc(SC[C@@H]2CCC3(CCC3)CO2)[n-]c(=O)c1C ZINC001165917307 807026407 /nfs/dbraw/zinc/02/64/07/807026407.db2.gz JYVWKNZUSRJZOT-LBPRGKRZSA-N -1 1 294.420 3.240 20 0 CGADMM [O-]c1cc(F)c(CN2CCC(OC3CCC3)CC2)c(F)c1 ZINC001144545030 805001757 /nfs/dbraw/zinc/00/17/57/805001757.db2.gz PFNMXIIYKJXENR-UHFFFAOYSA-N -1 1 297.345 3.204 20 0 CGADMM [O-]c1cc(F)c(CN(Cc2ccco2)C2CC2)c(F)c1 ZINC001144561451 805007114 /nfs/dbraw/zinc/00/71/14/805007114.db2.gz JDJKNONVLNATBR-UHFFFAOYSA-N -1 1 279.286 3.428 20 0 CGADMM O=C(c1ccc2cccnc2c1[O-])N1CCC12CCCC2 ZINC001149319806 805227993 /nfs/dbraw/zinc/22/79/93/805227993.db2.gz RGIGBTATYGCQQR-UHFFFAOYSA-N -1 1 282.343 3.099 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ccc(C)nc2C)c1 ZINC001149526996 805237990 /nfs/dbraw/zinc/23/79/90/805237990.db2.gz VPORHUQHIZZPED-UHFFFAOYSA-N -1 1 288.372 3.378 20 0 CGADMM CC[C@H]1CCCN1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249773822 805240039 /nfs/dbraw/zinc/24/00/39/805240039.db2.gz OGYFPTWCGHXDEM-JTQLQIEISA-N -1 1 269.291 3.037 20 0 CGADMM C[C@@H]1[C@@H](C)CCCN1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249774432 805242324 /nfs/dbraw/zinc/24/23/24/805242324.db2.gz WLNZELCLJVZSGB-VHSXEESVSA-N -1 1 283.318 3.283 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ccc(O)cc2)c1 ZINC001150081527 805252161 /nfs/dbraw/zinc/25/21/61/805252161.db2.gz KXDXYIMKASLLPP-UHFFFAOYSA-N -1 1 275.329 3.072 20 0 CGADMM [O-]c1cc(F)cnc1Nc1cc2cc(F)ccc2[nH]1 ZINC001249851608 805261389 /nfs/dbraw/zinc/26/13/89/805261389.db2.gz YHGATJMAUPMXPY-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM C[C@H](C(=O)Nc1cccc(F)c1[O-])n1cnc2ccccc21 ZINC001151779401 805312249 /nfs/dbraw/zinc/31/22/49/805312249.db2.gz AZGDTQDHUGCECP-SNVBAGLBSA-N -1 1 299.305 3.081 20 0 CGADMM Cc1cccc2nc(C(=O)Nc3ccccc3[S-])[nH]c21 ZINC001151989011 805327958 /nfs/dbraw/zinc/32/79/58/805327958.db2.gz HEXGHIJSAKBKSU-UHFFFAOYSA-N -1 1 283.356 3.412 20 0 CGADMM [O-]c1cc(Nc2ccc(CO)cc2)c(F)c(F)c1F ZINC001249963257 805330872 /nfs/dbraw/zinc/33/08/72/805330872.db2.gz UJOOYYPHFRJRQY-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM Cn1cnc2cc(Nc3cc([O-])c(F)c(F)c3F)ccc21 ZINC001249962914 805331344 /nfs/dbraw/zinc/33/13/44/805331344.db2.gz IAJJTYVTNZWYCM-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM COc1cccnc1Nc1cc(Cl)c([O-])cc1F ZINC001250020273 805372602 /nfs/dbraw/zinc/37/26/02/805372602.db2.gz IJAVZDSQAOXQIS-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM O=C1Cc2ccc(Nc3cc(Cl)c([O-])cc3F)cc2N1 ZINC001250025641 805376941 /nfs/dbraw/zinc/37/69/41/805376941.db2.gz DVPILCFCXJUILE-UHFFFAOYSA-N -1 1 292.697 3.423 20 0 CGADMM Cc1cc(Cl)cc(C)c1NC(=O)c1ccc([O-])cn1 ZINC001153359836 805394543 /nfs/dbraw/zinc/39/45/43/805394543.db2.gz XQCIQBKGVAMBGG-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM Cc1noc(C)c1Cc1c(Cl)ccc([O-])c1F ZINC001250070690 805402530 /nfs/dbraw/zinc/40/25/30/805402530.db2.gz QUCIGKIAYBELJN-UHFFFAOYSA-N -1 1 255.676 3.380 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cn1)c1cc2ccccc2s1 ZINC001154390383 805453304 /nfs/dbraw/zinc/45/33/04/805453304.db2.gz FZOBJFZZWBPMOG-JTQLQIEISA-N -1 1 298.367 3.493 20 0 CGADMM O=C(OCCc1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC001250214058 805495776 /nfs/dbraw/zinc/49/57/76/805495776.db2.gz RNRWUFCTZYECGT-UHFFFAOYSA-N -1 1 278.254 3.070 20 0 CGADMM [O-]c1ccc(F)c(Nc2cnc(Cl)cn2)c1Cl ZINC001250227980 805504414 /nfs/dbraw/zinc/50/44/14/805504414.db2.gz FUTBIPRMUSSBJK-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM CCc1cc(Nc2c(F)ccc([O-])c2Cl)on1 ZINC001250230474 805506471 /nfs/dbraw/zinc/50/64/71/805506471.db2.gz ZKWZLUIIUCDKOT-UHFFFAOYSA-N -1 1 256.664 3.479 20 0 CGADMM NC(=O)c1cc(F)ccc1Nc1c(F)ccc([O-])c1Cl ZINC001250232306 805507029 /nfs/dbraw/zinc/50/70/29/805507029.db2.gz JCHCSYVSODTCCX-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM COc1cc(Cc2cc(F)c([O-])cc2F)cc(OC)c1 ZINC001250299075 805551415 /nfs/dbraw/zinc/55/14/15/805551415.db2.gz SBPCPDIAMNFMLV-UHFFFAOYSA-N -1 1 280.270 3.278 20 0 CGADMM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC001165350014 806998162 /nfs/dbraw/zinc/99/81/62/806998162.db2.gz RGUWIPXIRMBQAI-DZGCQCFKSA-N -1 1 285.318 3.126 20 0 CGADMM C=Cc1ccccc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC001259189509 807676612 /nfs/dbraw/zinc/67/66/12/807676612.db2.gz OHZQNOPRNRCMKP-UHFFFAOYSA-N -1 1 289.356 3.139 20 0 CGADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001259515802 807680061 /nfs/dbraw/zinc/68/00/61/807680061.db2.gz BECYCQJTEADIKR-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM O=S(=O)(CC1CCCCC1)[N-]c1ccc(Cl)cn1 ZINC001259612933 807682445 /nfs/dbraw/zinc/68/24/45/807682445.db2.gz LOCSAPQRTYNWID-UHFFFAOYSA-N -1 1 288.800 3.057 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1cc(Cl)cc2cccnc21 ZINC001260741632 807704210 /nfs/dbraw/zinc/70/42/10/807704210.db2.gz MFMFIISVWACGTC-VIFPVBQESA-N -1 1 298.795 3.428 20 0 CGADMM CC/C(C)=C/C(=O)Nc1ccc(Br)c([O-])c1 ZINC001261263692 807726919 /nfs/dbraw/zinc/72/69/19/807726919.db2.gz PUYSKBJCNFBYOE-SOFGYWHQSA-N -1 1 284.153 3.450 20 0 CGADMM O=c1nc(NCCCCOc2ccccc2)cc(Cl)[n-]1 ZINC001261789944 807787814 /nfs/dbraw/zinc/78/78/14/807787814.db2.gz VWCGCQLTCAXUBY-UHFFFAOYSA-N -1 1 293.754 3.107 20 0 CGADMM Cc1ccsc1CN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001262157631 807829469 /nfs/dbraw/zinc/82/94/69/807829469.db2.gz KNKIAGHRYHKRRS-HNNXBMFYSA-N -1 1 275.373 3.146 20 0 CGADMM C[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(F)c1[O-] ZINC001171632561 808109193 /nfs/dbraw/zinc/10/91/93/808109193.db2.gz FZDJDABHRMQNKD-SECBINFHSA-N -1 1 293.269 3.076 20 0 CGADMM COC(=O)Cc1ccccc1Nc1ccc(F)c(F)c1[O-] ZINC001213061293 815215617 /nfs/dbraw/zinc/21/56/17/815215617.db2.gz XPCAAKKMCRLDFK-UHFFFAOYSA-N -1 1 293.269 3.130 20 0 CGADMM COc1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001173827749 808693421 /nfs/dbraw/zinc/69/34/21/808693421.db2.gz YPRHYEWJOFSDHW-UHFFFAOYSA-N -1 1 251.232 3.423 20 0 CGADMM Nc1nonc1[N-]c1cccc(-c2ccccc2)c1 ZINC001173911714 808755400 /nfs/dbraw/zinc/75/54/00/808755400.db2.gz NPWFGYSANDMKHX-UHFFFAOYSA-N -1 1 252.277 3.062 20 0 CGADMM COc1cc(O)ccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001213100180 815233872 /nfs/dbraw/zinc/23/38/72/815233872.db2.gz IFPCEJSXWSQUTB-UHFFFAOYSA-N -1 1 297.314 3.036 20 0 CGADMM COc1ccc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001173960686 808787617 /nfs/dbraw/zinc/78/76/17/808787617.db2.gz JYQYEAPFMFAXHK-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM COC(=O)c1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001173963219 808789442 /nfs/dbraw/zinc/78/94/42/808789442.db2.gz CRVVPHUAACCAIM-UHFFFAOYSA-N -1 1 279.242 3.201 20 0 CGADMM CCOC(=O)c1nnsc1[N-]c1ccc(C)cc1Cl ZINC001174044568 808843243 /nfs/dbraw/zinc/84/32/43/808843243.db2.gz LFUMXPOSCYDQCM-UHFFFAOYSA-N -1 1 297.767 3.420 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cnn([C@H]2CCCCO2)c1 ZINC001174599719 809098379 /nfs/dbraw/zinc/09/83/79/809098379.db2.gz ZLQAQDPSIALBGF-LLVKDONJSA-N -1 1 294.742 3.080 20 0 CGADMM Cc1ccccc1C1([N-]C(=O)C(F)(F)C(F)F)CCC1 ZINC001278116228 809114792 /nfs/dbraw/zinc/11/47/92/809114792.db2.gz CYNOBQZSWRSGGS-UHFFFAOYSA-N -1 1 289.272 3.391 20 0 CGADMM [O-]c1cc(Nc2ccc3c(c2)OCO3)cc(F)c1F ZINC001174866717 809183591 /nfs/dbraw/zinc/18/35/91/809183591.db2.gz OQZIHPHSBJNTEN-UHFFFAOYSA-N -1 1 265.215 3.143 20 0 CGADMM CC(=O)Nc1ccc(O)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213390777 815275154 /nfs/dbraw/zinc/27/51/54/815275154.db2.gz RFBVHZLSAYYKEP-UHFFFAOYSA-N -1 1 294.257 3.078 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1Nc1cnc2cccc(C)n12 ZINC001174983439 809226961 /nfs/dbraw/zinc/22/69/61/809226961.db2.gz NGNYRSVJSYDNPA-UHFFFAOYSA-N -1 1 281.315 3.393 20 0 CGADMM Cc1cccc(O)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213384615 815274171 /nfs/dbraw/zinc/27/41/71/815274171.db2.gz XRNBHQFMLJLJAY-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM Cc1ccc(O)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213382025 815274695 /nfs/dbraw/zinc/27/46/95/815274695.db2.gz VNWSKDKPJVBCIR-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM CCOc1cccc(F)c1Nc1ncc(F)cc1[O-] ZINC001175223646 809314994 /nfs/dbraw/zinc/31/49/94/809314994.db2.gz GCRXZKWGSMZANQ-UHFFFAOYSA-N -1 1 266.247 3.208 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc(-n2cccn2)cc1 ZINC001175369487 809381074 /nfs/dbraw/zinc/38/10/74/809381074.db2.gz FVGPEVGYLASLKF-UHFFFAOYSA-N -1 1 286.722 3.370 20 0 CGADMM CN(C)c1nc(Nc2cccc3ccsc32)cc(=O)[n-]1 ZINC001175377341 809384936 /nfs/dbraw/zinc/38/49/36/809384936.db2.gz KKTUZFRUDWOOSD-UHFFFAOYSA-N -1 1 286.360 3.207 20 0 CGADMM O=C(Nc1ccc(OC(F)F)cc1)c1cccc([O-])c1F ZINC001290049834 809400376 /nfs/dbraw/zinc/40/03/76/809400376.db2.gz GWYUTNGZYIRIKP-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM C[C@H](c1ccccc1)N(C)C(=O)c1ccc(F)c([O-])c1 ZINC001290291574 809405730 /nfs/dbraw/zinc/40/57/30/809405730.db2.gz ZPHMXWLWPHOMRJ-LLVKDONJSA-N -1 1 273.307 3.365 20 0 CGADMM C[S@](=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001175478115 809422098 /nfs/dbraw/zinc/42/20/98/809422098.db2.gz COINDRMUMBURRJ-IBGZPJMESA-N -1 1 283.299 3.151 20 0 CGADMM Cc1occc1CN(C)C(=O)c1ncc2ccccc2c1[O-] ZINC001292393920 809431284 /nfs/dbraw/zinc/43/12/84/809431284.db2.gz CJVAOVRBZJCTFO-UHFFFAOYSA-N -1 1 296.326 3.114 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cnccc2C)c1 ZINC001293064454 809442575 /nfs/dbraw/zinc/44/25/75/809442575.db2.gz QWDQZFFSYFYCEG-UHFFFAOYSA-N -1 1 274.345 3.070 20 0 CGADMM Cc1[nH]nc2ccc(Nc3ccc(C(=O)[O-])cc3)cc12 ZINC001175700206 809511557 /nfs/dbraw/zinc/51/15/57/809511557.db2.gz HEOFRDALIXIUDO-UHFFFAOYSA-N -1 1 267.288 3.313 20 0 CGADMM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc([O-])cn2)C1 ZINC001297682008 809521534 /nfs/dbraw/zinc/52/15/34/809521534.db2.gz BEJZMNHBEHXNOR-SUMWQHHRSA-N -1 1 296.370 3.401 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1NC1=CCCCC1 ZINC001175752230 809531288 /nfs/dbraw/zinc/53/12/88/809531288.db2.gz QXSQIJVRLNLOFN-UHFFFAOYSA-N -1 1 257.289 3.368 20 0 CGADMM O=C(CCc1ccccc1F)Nc1cc([O-])c(F)cc1F ZINC001298969925 809542610 /nfs/dbraw/zinc/54/26/10/809542610.db2.gz HBJDRLSDUPVXEL-UHFFFAOYSA-N -1 1 295.260 3.381 20 0 CGADMM CC(C)(C(=O)Nc1cc(F)cc(F)c1[O-])C1CCC1 ZINC001299580522 809551643 /nfs/dbraw/zinc/55/16/43/809551643.db2.gz HRZXTTUDCNERJV-UHFFFAOYSA-N -1 1 269.291 3.435 20 0 CGADMM Nc1c(Cl)cccc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001299586790 809552407 /nfs/dbraw/zinc/55/24/07/809552407.db2.gz OFRGSAJYKRLZKW-UHFFFAOYSA-N -1 1 298.676 3.158 20 0 CGADMM O=C(Nc1ccc2c(c1)CCCC2=O)c1cccc([O-])c1F ZINC001299841707 809556676 /nfs/dbraw/zinc/55/66/76/809556676.db2.gz CQBPSTPVMNMPJE-UHFFFAOYSA-N -1 1 299.301 3.303 20 0 CGADMM Cc1csc(Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176662416 809737048 /nfs/dbraw/zinc/73/70/48/809737048.db2.gz OXXHMYLXQFXHON-UHFFFAOYSA-N -1 1 260.240 3.318 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2nc(F)c(F)cc2F)c1F ZINC001176663125 809737272 /nfs/dbraw/zinc/73/72/72/809737272.db2.gz BUMZYVPBTOKSKI-UHFFFAOYSA-N -1 1 294.154 3.365 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccccc2CO)c1F ZINC001176669296 809737911 /nfs/dbraw/zinc/73/79/11/809737911.db2.gz GPIJIOBBMVVCJH-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ncc(Cl)cc2O)c1F ZINC001176664123 809737972 /nfs/dbraw/zinc/73/79/72/809737972.db2.gz LHDMHBBBXJSXIL-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccnc(Cl)c2O)c1F ZINC001176664718 809737984 /nfs/dbraw/zinc/73/79/84/809737984.db2.gz YMZCYLXZMKNWFU-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM Cn1c2ccccc2nc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664382 809738080 /nfs/dbraw/zinc/73/80/80/809738080.db2.gz XFJAREVKDCHGSS-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM CN(C)c1cccnc1Nc1c(F)cc(F)c([O-])c1F ZINC001176669634 809738334 /nfs/dbraw/zinc/73/83/34/809738334.db2.gz JFLCDAQIQQSADU-UHFFFAOYSA-N -1 1 283.253 3.014 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccn3nccc23)c1F ZINC001176670103 809740057 /nfs/dbraw/zinc/74/00/57/809740057.db2.gz RHZWCQGRXZLTHM-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM COc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(CO)c1 ZINC001176672003 809740100 /nfs/dbraw/zinc/74/01/00/809740100.db2.gz CGWRIBGEZNKDJC-UHFFFAOYSA-N -1 1 299.248 3.054 20 0 CGADMM CC=C(C)C=CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001178511279 809872230 /nfs/dbraw/zinc/87/22/30/809872230.db2.gz BGSRPMZSADOEGH-UNCCMLOSSA-N -1 1 283.331 3.039 20 0 CGADMM O=C(/C=C/C(F)(F)F)Nc1cccc(C(F)(F)F)c1[O-] ZINC001179928772 809959566 /nfs/dbraw/zinc/95/95/66/809959566.db2.gz NQVPYPWBKLTCLM-SNAWJCMRSA-N -1 1 299.170 3.468 20 0 CGADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])[C@@H]1C[C@@]1(F)Cl ZINC001181669723 810065765 /nfs/dbraw/zinc/06/57/65/810065765.db2.gz VECGYTSDCDTBDD-WKEGUHRASA-N -1 1 297.635 3.274 20 0 CGADMM CCC1(CC)C[C@H]1C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001181881497 810079716 /nfs/dbraw/zinc/07/97/16/810079716.db2.gz MXSJHAUBMIBLFJ-ZDUSSCGKSA-N -1 1 299.374 3.343 20 0 CGADMM Cc1cc(C2CC2)ccc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001213866457 815340657 /nfs/dbraw/zinc/34/06/57/815340657.db2.gz JWVWDCODOZIPIV-UHFFFAOYSA-N -1 1 279.343 3.499 20 0 CGADMM O=C([N-]COc1ccccc1)C(F)(F)c1ccc(F)cc1 ZINC001182890747 810129410 /nfs/dbraw/zinc/12/94/10/810129410.db2.gz SQQFOTUPAKDCGC-UHFFFAOYSA-N -1 1 295.260 3.070 20 0 CGADMM COc1ccc(NCc2ccc([O-])c(F)c2F)c(F)c1 ZINC001183323969 810144887 /nfs/dbraw/zinc/14/48/87/810144887.db2.gz IJJNBYJWGQXKGK-UHFFFAOYSA-N -1 1 283.249 3.430 20 0 CGADMM CC1(C)CC[C@H](C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC001185160083 810239904 /nfs/dbraw/zinc/23/99/04/810239904.db2.gz ZZECGERRQYMTMO-LBPRGKRZSA-N -1 1 299.374 3.343 20 0 CGADMM CC[C@H](C)CCC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001185564062 810275341 /nfs/dbraw/zinc/27/53/41/810275341.db2.gz ZKPXBYMTNOXIRZ-LBPRGKRZSA-N -1 1 287.363 3.343 20 0 CGADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])NC1CCCC1 ZINC001185903095 810301964 /nfs/dbraw/zinc/30/19/64/810301964.db2.gz QVOAOUPANOWFHL-UHFFFAOYSA-N -1 1 288.269 3.475 20 0 CGADMM COc1ccc2nc(NC(=O)c3cccc([S-])c3)[nH]c2c1 ZINC001186131166 810315539 /nfs/dbraw/zinc/31/55/39/810315539.db2.gz FEEDYAIEWXEUGZ-UHFFFAOYSA-N -1 1 299.355 3.113 20 0 CGADMM CCCCCCNC(=O)Nc1cc(F)c([O-])c(F)c1 ZINC001191980707 810762941 /nfs/dbraw/zinc/76/29/41/810762941.db2.gz XLYFHGSSQMOYIH-UHFFFAOYSA-N -1 1 272.295 3.372 20 0 CGADMM Cc1ccc(O)cc1Nc1c([O-])cc(F)cc1F ZINC001214347796 815398310 /nfs/dbraw/zinc/39/83/10/815398310.db2.gz GWQSETBPYHXGTF-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM CCOC(=O)c1c(C)[n-]sc1=NC(=O)OC1CCCC1 ZINC001193528682 810904899 /nfs/dbraw/zinc/90/48/99/810904899.db2.gz KFMHMBNXZDEYQU-UHFFFAOYSA-N -1 1 298.364 3.119 20 0 CGADMM COc1ncc(Nc2cc(F)c([O-])c(Cl)c2)cc1F ZINC001214483021 815416614 /nfs/dbraw/zinc/41/66/14/815416614.db2.gz YYKHPNPALKUAFN-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM Nc1cc2c(cc1Nc1cc(F)c([O-])c(Cl)c1)OCO2 ZINC001214490019 815417892 /nfs/dbraw/zinc/41/78/92/815417892.db2.gz MXIZDAZHNXOIHQ-UHFFFAOYSA-N -1 1 296.685 3.239 20 0 CGADMM CC[C@@H](C)COC(=O)Nc1cc(F)c([O-])cc1F ZINC001194803951 811139203 /nfs/dbraw/zinc/13/92/03/811139203.db2.gz GFGNLXFZZIZXTG-SSDOTTSWSA-N -1 1 259.252 3.265 20 0 CGADMM CC[C@@H](C)COC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001194810566 811141448 /nfs/dbraw/zinc/14/14/48/811141448.db2.gz BNDFIAWWGPBITA-SSDOTTSWSA-N -1 1 259.252 3.265 20 0 CGADMM O=C([N-]c1cnoc1)c1sccc1C(F)(F)F ZINC001195206353 811226551 /nfs/dbraw/zinc/22/65/51/811226551.db2.gz NPRSEFRDHVNKLE-UHFFFAOYSA-N -1 1 262.212 3.007 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2c(C)ccc3cccnc32)n1 ZINC001195327267 811243243 /nfs/dbraw/zinc/24/32/43/811243243.db2.gz YVFTWCRHPBXAKP-UHFFFAOYSA-N -1 1 293.326 3.205 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(C)c(C)c(C)c1 ZINC001195486671 811260671 /nfs/dbraw/zinc/26/06/71/811260671.db2.gz JMRMXVNIOXPTHG-UHFFFAOYSA-N -1 1 266.366 3.055 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(Cl)cc1CC ZINC001195491164 811261698 /nfs/dbraw/zinc/26/16/98/811261698.db2.gz UBKDXQGAYQVPHY-UHFFFAOYSA-N -1 1 286.784 3.345 20 0 CGADMM Cc1noc(C(C)C)c1C(=O)[N-]c1nnc(C(C)(C)C)o1 ZINC001197345894 811417958 /nfs/dbraw/zinc/41/79/58/811417958.db2.gz UIDXHXRFSQXCMW-UHFFFAOYSA-N -1 1 292.339 3.039 20 0 CGADMM CCCCCNC(=S)Nc1cc(F)c(F)cc1[O-] ZINC001200056676 811632103 /nfs/dbraw/zinc/63/21/03/811632103.db2.gz LJNBBFQCHQNTGS-UHFFFAOYSA-N -1 1 274.336 3.147 20 0 CGADMM CC[C@H](C)CNC(=S)Nc1cccc([O-])c1Cl ZINC001200253984 811655158 /nfs/dbraw/zinc/65/51/58/811655158.db2.gz NACNCNGWVNZDDU-QMMMGPOBSA-N -1 1 272.801 3.378 20 0 CGADMM [O-]c1cnc(Cl)cc1NC(=S)Nc1ccccc1 ZINC001200828122 811749883 /nfs/dbraw/zinc/74/98/83/811749883.db2.gz PHLSFUDLDPYECG-UHFFFAOYSA-N -1 1 279.752 3.250 20 0 CGADMM O=C(Nc1ccccc1)Nc1cc2ccc([O-])cc2oc1=O ZINC001201947149 811980291 /nfs/dbraw/zinc/98/02/91/811980291.db2.gz ZCNAPCDFWFVPLS-UHFFFAOYSA-N -1 1 296.282 3.143 20 0 CGADMM O=C(Nc1ccccc1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001201958879 811984140 /nfs/dbraw/zinc/98/41/40/811984140.db2.gz CGOQBMSTOLAOMS-UHFFFAOYSA-N -1 1 294.314 3.222 20 0 CGADMM COc1cccc(NC(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001202280545 812054965 /nfs/dbraw/zinc/05/49/65/812054965.db2.gz JJOMEVSIONNZKS-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cccnc3)no2)c(Cl)c1 ZINC001215345637 815508189 /nfs/dbraw/zinc/50/81/89/815508189.db2.gz BDRGTACRDGBLQX-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM CCc1nc(OC)ccc1Nc1c([O-])cc(F)cc1F ZINC001203590118 812403218 /nfs/dbraw/zinc/40/32/18/812403218.db2.gz REAKZNFPWLEFFQ-UHFFFAOYSA-N -1 1 280.274 3.380 20 0 CGADMM NC(=O)c1ccc(Cl)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001215573074 815538917 /nfs/dbraw/zinc/53/89/17/815538917.db2.gz AQBOFDIILLOURZ-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM CCc1nnc([N-]c2c3cc[nH]c3ccc2F)s1 ZINC001204259632 812590726 /nfs/dbraw/zinc/59/07/26/812590726.db2.gz MUCBKQMHFWRYCT-UHFFFAOYSA-N -1 1 262.313 3.465 20 0 CGADMM [O-]c1ccc(-c2nccc(-c3cccnc3)n2)c(F)c1 ZINC001206030442 813172540 /nfs/dbraw/zinc/17/25/40/813172540.db2.gz WZBIHKSFJATYAA-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM CCCCOc1cccc(-n2[n-]c(=O)c3ccc(N)cc32)c1 ZINC001208638906 813781146 /nfs/dbraw/zinc/78/11/46/813781146.db2.gz QSZTYJUEQFMNEX-UHFFFAOYSA-N -1 1 297.358 3.492 20 0 CGADMM C=Cc1ccccc1Nc1cc(=O)[n-]c(SC)n1 ZINC001209945108 814207952 /nfs/dbraw/zinc/20/79/52/814207952.db2.gz WRLAEHWXJGBHOT-UHFFFAOYSA-N -1 1 259.334 3.291 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cccc(F)c1O ZINC001210200538 814335015 /nfs/dbraw/zinc/33/50/15/814335015.db2.gz ABFDGUNZUSYUGZ-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM [O-]c1c(F)cc(Nc2cccc3c2OCCO3)cc1F ZINC001210369550 814426644 /nfs/dbraw/zinc/42/66/44/814426644.db2.gz MUBSZYJBFFLQNY-UHFFFAOYSA-N -1 1 279.242 3.185 20 0 CGADMM Cc1oncc1[N-]c1cc(Cc2ccccc2)no1 ZINC001210579260 814539678 /nfs/dbraw/zinc/53/96/78/814539678.db2.gz QCUUDDZKAKPXOH-UHFFFAOYSA-N -1 1 255.277 3.305 20 0 CGADMM [O-]c1cccc(-c2cc3cncnc3cn2)c1Cl ZINC001242796819 823135163 /nfs/dbraw/zinc/13/51/63/823135163.db2.gz ARAAZNGBGBKJMI-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM CCOC(=O)Cc1ccncc1-c1cccc([O-])c1Cl ZINC001242800352 823136503 /nfs/dbraw/zinc/13/65/03/823136503.db2.gz GSLGEGLDKCNKAN-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM COc1ccnc(-c2cccc([O-])c2Cl)c1F ZINC001242801693 823137123 /nfs/dbraw/zinc/13/71/23/823137123.db2.gz VTNKMZWYHLOAHW-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(F)c(O)c1 ZINC001211214858 814852305 /nfs/dbraw/zinc/85/23/05/814852305.db2.gz IAWZQSACWFDZGT-UHFFFAOYSA-N -1 1 287.246 3.087 20 0 CGADMM Cc1nnc([N-]c2ccnc(Oc3ccccc3)c2)o1 ZINC001215772988 815586338 /nfs/dbraw/zinc/58/63/38/815586338.db2.gz HAZXTSYOFVJTJM-UHFFFAOYSA-N -1 1 268.276 3.309 20 0 CGADMM CC(=O)c1cccc(-c2noc(-c3cccc([O-])c3F)n2)c1 ZINC001215984299 815651226 /nfs/dbraw/zinc/65/12/26/815651226.db2.gz OYUCYOFIZVJLSZ-UHFFFAOYSA-N -1 1 298.273 3.451 20 0 CGADMM Cc1cc(-c2noc(-c3cc([O-])cc(F)c3)n2)cnc1C ZINC001216339472 815791103 /nfs/dbraw/zinc/79/11/03/815791103.db2.gz IVTYIGDRDDNOMI-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM COc1c(O)cccc1Nc1ccc(F)c(F)c1[O-] ZINC001216351534 815797950 /nfs/dbraw/zinc/79/79/50/815797950.db2.gz UFDNHSRQCDWHBZ-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM COc1c([N-]c2nnc(C)o2)cccc1C(F)(F)F ZINC001216633652 815882174 /nfs/dbraw/zinc/88/21/74/815882174.db2.gz OTLOOOVGMRRJLT-UHFFFAOYSA-N -1 1 273.214 3.149 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc([S-])c3)cc2[nH]1 ZINC001242868030 823159223 /nfs/dbraw/zinc/15/92/23/823159223.db2.gz XBWQQZGBVYXMHX-UHFFFAOYSA-N -1 1 284.340 3.305 20 0 CGADMM CCCCCC[C@H](CCCC)OCc1nn[n-]n1 ZINC001223027437 816554110 /nfs/dbraw/zinc/55/41/10/816554110.db2.gz PCQKVWGNYFZCAA-LBPRGKRZSA-N -1 1 254.378 3.246 20 0 CGADMM O=[P@]([O-])(O)CCO[C@H]1CCCC[C@H]1C1CCCCC1 ZINC001224602178 816831893 /nfs/dbraw/zinc/83/18/93/816831893.db2.gz OUXHMVLJTABFQA-KBPBESRZSA-N -1 1 290.340 3.320 20 0 CGADMM CC[C@@H](C)C[C@H](CC)OCCCC[P@](=O)([O-])O ZINC001225022021 816934602 /nfs/dbraw/zinc/93/46/02/816934602.db2.gz LOEBVIMTMGMAMV-NEPJUHHUSA-N -1 1 266.318 3.176 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)c1ccncc1 ZINC001225616934 817114277 /nfs/dbraw/zinc/11/42/77/817114277.db2.gz QVQSWAXDTNGUSS-NSHDSACASA-N -1 1 257.289 3.130 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCC(=O)CC1(C)C ZINC001225616322 817114323 /nfs/dbraw/zinc/11/43/23/817114323.db2.gz ILJORYNFNCHOJK-OAHLLOKOSA-N -1 1 276.332 3.121 20 0 CGADMM CC[C@H](Oc1cc([O-])cc(O)c1C(C)=O)C(C)C ZINC001225675214 817137080 /nfs/dbraw/zinc/13/70/80/817137080.db2.gz SMDYEBIYOMOICX-LBPRGKRZSA-N -1 1 252.310 3.114 20 0 CGADMM CCCC[C@@H](C)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225680426 817139228 /nfs/dbraw/zinc/13/92/28/817139228.db2.gz ZQGRKBIBELRAMQ-SECBINFHSA-N -1 1 252.310 3.258 20 0 CGADMM CCC[C@H](C)[C@H](Oc1nc(=O)[n-]cc1C(C)=O)C(C)C ZINC001226240639 817306996 /nfs/dbraw/zinc/30/69/96/817306996.db2.gz NDRIJEOXSJJAIC-GXFFZTMASA-N -1 1 280.368 3.224 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@H](C)CCC(C)C ZINC001227168769 817578128 /nfs/dbraw/zinc/57/81/28/817578128.db2.gz NHKCZFQCFOVITF-GFCCVEGCSA-N -1 1 280.364 3.425 20 0 CGADMM Cc1ccccc1[C@@H](C)Oc1[n-]c(=O)nc2c1CO[C@H]2C ZINC001227709643 817699168 /nfs/dbraw/zinc/69/91/68/817699168.db2.gz FAOUOWJZLZSYME-MNOVXSKESA-N -1 1 286.331 3.222 20 0 CGADMM C[C@@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1ccccc1F ZINC001227715116 817702100 /nfs/dbraw/zinc/70/21/00/817702100.db2.gz ZDJYVZRNQVDXBN-BDAKNGLRSA-N -1 1 290.294 3.053 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)nc2cnccc21)c1ccccn1 ZINC001227885051 817743653 /nfs/dbraw/zinc/74/36/53/817743653.db2.gz KSQBCLVIYXWSKM-SECBINFHSA-N -1 1 284.344 3.222 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1-c1cc2[nH]ccc2cn1 ZINC001243202730 823288690 /nfs/dbraw/zinc/28/86/90/823288690.db2.gz ZLCRRVJKFZKMHR-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CSc1nc(O[C@@H]2CCCc3ccccc32)cc(=O)[n-]1 ZINC001228091059 817808434 /nfs/dbraw/zinc/80/84/34/817808434.db2.gz SOJIXCWOLJJLQQ-GFCCVEGCSA-N -1 1 288.372 3.361 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCc2cccnc21 ZINC001228553962 817936310 /nfs/dbraw/zinc/93/63/10/817936310.db2.gz FOUFPHPGUJPMSB-CQSZACIVSA-N -1 1 299.326 3.152 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)c1ccco1 ZINC001228557138 817938576 /nfs/dbraw/zinc/93/85/76/817938576.db2.gz VIIOTHVPNYNGSD-SECBINFHSA-N -1 1 276.288 3.424 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1OC1Cc2ccccc2C1 ZINC001228559766 817939403 /nfs/dbraw/zinc/93/94/03/817939403.db2.gz GWBWELMHHHDLNX-UHFFFAOYSA-N -1 1 298.338 3.237 20 0 CGADMM CCCCN(CC(=O)OCC)Cc1ccc(Cl)c([O-])c1 ZINC001231734919 818163273 /nfs/dbraw/zinc/16/32/73/818163273.db2.gz HPDRVUHYPNVXDT-UHFFFAOYSA-N -1 1 299.798 3.211 20 0 CGADMM COc1ccc(CN2CCCC[C@@](C)(F)C2)cc1C(=O)[O-] ZINC001231749739 818165980 /nfs/dbraw/zinc/16/59/80/818165980.db2.gz PHEVAWLTPPNFQZ-MRXNPFEDSA-N -1 1 295.354 3.108 20 0 CGADMM C[C@H]1CCN(Cc2ccc(F)c([O-])c2F)CC1(F)F ZINC001232930870 818475268 /nfs/dbraw/zinc/47/52/68/818475268.db2.gz FXPBORMJQWEWJX-QMMMGPOBSA-N -1 1 277.261 3.148 20 0 CGADMM COCC[C@H]1CCCC[N@H+]1Cc1ccc(F)c([O-])c1F ZINC001232936553 818477139 /nfs/dbraw/zinc/47/71/39/818477139.db2.gz SZJZXWJEEFDENH-GFCCVEGCSA-N -1 1 285.334 3.061 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1COc2cnccc21 ZINC001233655675 818671512 /nfs/dbraw/zinc/67/15/12/818671512.db2.gz ZDZSKFQJYRYVTP-QGZVFWFLSA-N -1 1 299.326 3.283 20 0 CGADMM NC(=O)c1cc2cc(-c3ccc([O-])c(F)c3F)ccc2o1 ZINC001243343414 823359603 /nfs/dbraw/zinc/35/96/03/823359603.db2.gz YEZLEZKBZBWUOC-UHFFFAOYSA-N -1 1 289.237 3.183 20 0 CGADMM CC/C=C(\C)[C@H](CC)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234606487 818890393 /nfs/dbraw/zinc/89/03/93/818890393.db2.gz DCTVUEOHNRXECD-CRALRDPISA-N -1 1 297.326 3.227 20 0 CGADMM Clc1ccc(-c2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC001235962508 819250900 /nfs/dbraw/zinc/25/09/00/819250900.db2.gz LXGPWTCQILBWPK-UHFFFAOYSA-N -1 1 292.129 3.236 20 0 CGADMM Clc1ccc(-c2ccc(-c3nn[n-]n3)nc2)c(Cl)c1 ZINC001235962508 819250905 /nfs/dbraw/zinc/25/09/05/819250905.db2.gz LXGPWTCQILBWPK-UHFFFAOYSA-N -1 1 292.129 3.236 20 0 CGADMM Cc1ccc(F)c(-c2ccnc(-c3cccnc3)n2)c1[O-] ZINC001236390840 819447792 /nfs/dbraw/zinc/44/77/92/819447792.db2.gz GKNSHGVPPHHBBY-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc2nsnc2c1 ZINC001243502360 823421502 /nfs/dbraw/zinc/42/15/02/823421502.db2.gz KXOAJURLSPEUPY-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cccc2nccnc21 ZINC001243502971 823421525 /nfs/dbraw/zinc/42/15/25/823421525.db2.gz CPJVMHWTVWDPHH-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Nc1ccc2cccc(-c3cc(F)cc(F)c3[O-])c2n1 ZINC001243506146 823424069 /nfs/dbraw/zinc/42/40/69/823424069.db2.gz QJDWGRGJHFFPMD-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@H]3OCCC[C@@H]3C2)cc1Cl ZINC001238143183 819941302 /nfs/dbraw/zinc/94/13/02/819941302.db2.gz KUYLCUMZFAYNEF-MEBBXXQBSA-N -1 1 299.773 3.186 20 0 CGADMM CN(CCc1cccnc1)Cc1cc(Cl)c([O-])cc1F ZINC001238152308 819943455 /nfs/dbraw/zinc/94/34/55/819943455.db2.gz MCTKBKZBFPGKMF-UHFFFAOYSA-N -1 1 294.757 3.254 20 0 CGADMM CCOC(=O)c1cccnc1-c1ccc(Cl)c([O-])c1 ZINC001243577434 823452163 /nfs/dbraw/zinc/45/21/63/823452163.db2.gz ZRPDOWXIOUVJIM-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM C[C@H]1Oc2ccc(-c3ccc(Cl)c([O-])c3)cc2NC1=O ZINC001243577680 823452432 /nfs/dbraw/zinc/45/24/32/823452432.db2.gz BMUSWWVTVVIOAF-MRVPVSSYSA-N -1 1 289.718 3.432 20 0 CGADMM CS(=O)(=O)c1ccccc1-c1ccc(Cl)c([O-])c1 ZINC001243579178 823452981 /nfs/dbraw/zinc/45/29/81/823452981.db2.gz XPLTVHRKUDGLNZ-UHFFFAOYSA-N -1 1 282.748 3.116 20 0 CGADMM CS(=O)(=O)Cc1cccc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243584443 823455722 /nfs/dbraw/zinc/45/57/22/823455722.db2.gz SRPAHWGFOTWAFM-UHFFFAOYSA-N -1 1 296.775 3.257 20 0 CGADMM Cc1cnc(-c2ccc(C(F)(F)F)cc2[O-])c(C)n1 ZINC001243604641 823463934 /nfs/dbraw/zinc/46/39/34/823463934.db2.gz OZTYTWTWJKBRSF-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM COC(=O)c1ccnc(-c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001243604304 823463946 /nfs/dbraw/zinc/46/39/46/823463946.db2.gz BWAKCTLVOBTHTA-UHFFFAOYSA-N -1 1 297.232 3.260 20 0 CGADMM Cc1cc(-c2ccc(C(F)(F)F)cc2[O-])ncn1 ZINC001243605097 823464431 /nfs/dbraw/zinc/46/44/31/823464431.db2.gz ROUYXBDYVDSESE-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM Cc1ccc2ncnc(-c3cc(F)ccc3[O-])c2c1 ZINC001240693033 821247737 /nfs/dbraw/zinc/24/77/37/821247737.db2.gz AFRJKSXLFDXNHH-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM COc1cc(-c2ccc3nc[nH]c3c2C)ccc1C(=O)[O-] ZINC001240743325 821294344 /nfs/dbraw/zinc/29/43/44/821294344.db2.gz SWIPJRISDWDLNN-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM COc1cc(-c2cccc3nc(C)[nH]c32)ccc1C(=O)[O-] ZINC001240744700 821295726 /nfs/dbraw/zinc/29/57/26/821295726.db2.gz LORXKAMDYGOXHK-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM CSc1c[nH]c2ncnc(-c3ccc([O-])c(F)c3)c12 ZINC001240783678 821323201 /nfs/dbraw/zinc/32/32/01/821323201.db2.gz XPJZOQJBBASAJU-UHFFFAOYSA-N -1 1 275.308 3.143 20 0 CGADMM COC(=O)c1cccc(F)c1-c1ccc([O-])c(F)c1 ZINC001240786593 821326457 /nfs/dbraw/zinc/32/64/57/821326457.db2.gz PGQOVZSDHCGGCD-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM C[C@H]1CCc2nnc(-c3ccc([O-])c(F)c3)cc2C1 ZINC001240786110 821327134 /nfs/dbraw/zinc/32/71/34/821327134.db2.gz MDWIIIRUGYXFRT-VIFPVBQESA-N -1 1 258.296 3.113 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1-c1ccc2nc[nH]c2c1 ZINC001241001215 821480035 /nfs/dbraw/zinc/48/00/35/821480035.db2.gz WELCFAHKBBUGNL-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM [O-]c1cc(F)c(-c2nccc3cccnc32)c(F)c1 ZINC001241116970 821572100 /nfs/dbraw/zinc/57/21/00/821572100.db2.gz JTAIFVOLYZXXHT-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOc1ccnc(-c2c(F)cc([O-])cc2F)c1 ZINC001241118593 821574254 /nfs/dbraw/zinc/57/42/54/821574254.db2.gz RKWMHWJCEPNIFX-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM [O-]c1cc(F)c(-c2cc(F)c3nccnc3c2)c(F)c1 ZINC001241122944 821580321 /nfs/dbraw/zinc/58/03/21/821580321.db2.gz PKYXSNHSDOQIKJ-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM [O-]c1cc(F)c(-c2cc(F)c3nccn3c2)c(F)c1 ZINC001241124802 821580986 /nfs/dbraw/zinc/58/09/86/821580986.db2.gz NWHWNOCIKUDAMA-UHFFFAOYSA-N -1 1 264.206 3.124 20 0 CGADMM CCOc1cc(-c2c(F)cc([O-])cc2F)cnc1F ZINC001241124534 821581110 /nfs/dbraw/zinc/58/11/10/821581110.db2.gz HLIIXLAVTBORNE-UHFFFAOYSA-N -1 1 269.222 3.270 20 0 CGADMM Cc1cc(-c2c(F)ccc([O-])c2F)nc(C(F)(F)F)n1 ZINC001241290359 821706117 /nfs/dbraw/zinc/70/61/17/821706117.db2.gz KTFWLWOJLQVYNX-UHFFFAOYSA-N -1 1 290.191 3.455 20 0 CGADMM O=C([O-])c1ccc(-c2cccc3cncn32)cc1Cl ZINC001241350848 821752590 /nfs/dbraw/zinc/75/25/90/821752590.db2.gz VLMKAMRIAWOPIF-UHFFFAOYSA-N -1 1 272.691 3.353 20 0 CGADMM CN(C)Cc1cccc(-c2cccc(C(=O)[O-])c2)c1F ZINC001241360787 821761399 /nfs/dbraw/zinc/76/13/99/821761399.db2.gz KRHVHOAPCYQTFQ-UHFFFAOYSA-N -1 1 273.307 3.253 20 0 CGADMM COC(=O)c1nc2cc(C=CC(C)(C)C)ccc2[n-]1 ZINC001241563078 821949489 /nfs/dbraw/zinc/94/94/89/821949489.db2.gz HHLHNMZKJHSQFQ-BQYQJAHWSA-N -1 1 258.321 3.409 20 0 CGADMM COC(=O)c1nc2ccc(C=CC(C)(C)C)cc2[n-]1 ZINC001241563078 821949492 /nfs/dbraw/zinc/94/94/92/821949492.db2.gz HHLHNMZKJHSQFQ-BQYQJAHWSA-N -1 1 258.321 3.409 20 0 CGADMM CCOc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nn1 ZINC001242126419 822886916 /nfs/dbraw/zinc/88/69/16/822886916.db2.gz KYOVQVZPKIMAIF-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ncnc2sncc21 ZINC001242131914 822888960 /nfs/dbraw/zinc/88/89/60/822888960.db2.gz MNHGADVCMKZGMO-UHFFFAOYSA-N -1 1 297.261 3.478 20 0 CGADMM [O-]c1ccc(-c2ncc3cc[nH]c3n2)cc1C(F)(F)F ZINC001242148247 822893895 /nfs/dbraw/zinc/89/38/95/822893895.db2.gz PSUKEQUQLIRYCB-UHFFFAOYSA-N -1 1 279.221 3.301 20 0 CGADMM COC(=O)c1cccc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242147544 822894034 /nfs/dbraw/zinc/89/40/34/822894034.db2.gz AAMAIMBBSVGYCW-UHFFFAOYSA-N -1 1 297.232 3.260 20 0 CGADMM COc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC001242147578 822894216 /nfs/dbraw/zinc/89/42/16/822894216.db2.gz AWFSRJLMOLZBCW-UHFFFAOYSA-N -1 1 269.222 3.482 20 0 CGADMM COC(=O)c1cnccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242166054 822900837 /nfs/dbraw/zinc/90/08/37/822900837.db2.gz LTQAEKPXTZCJBX-UHFFFAOYSA-N -1 1 297.232 3.260 20 0 CGADMM Nc1cc(-c2ccc(F)cc2[O-])ncc1C(F)(F)F ZINC001242215490 822913404 /nfs/dbraw/zinc/91/34/04/822913404.db2.gz AEHYFPBWIZKVPX-UHFFFAOYSA-N -1 1 272.201 3.194 20 0 CGADMM O=c1c(-c2ccc(F)cc2[O-])cccn1Cc1ccccc1 ZINC001242219559 822916022 /nfs/dbraw/zinc/91/60/22/822916022.db2.gz KSLWLGIBOMHHEA-UHFFFAOYSA-N -1 1 295.313 3.408 20 0 CGADMM [O-]c1c(F)cccc1-c1cc(C2OCCO2)ccc1F ZINC001242352099 822962220 /nfs/dbraw/zinc/96/22/20/822962220.db2.gz MDOSWYHFZZTUJD-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM O=c1c(-c2cccc(F)c2[O-])cccn1-c1ccccc1 ZINC001242352435 822962525 /nfs/dbraw/zinc/96/25/25/822962525.db2.gz IBYLWRLRINITGP-UHFFFAOYSA-N -1 1 281.286 3.349 20 0 CGADMM O=S1(=O)Cc2cccc(-c3cccc(Cl)c3[O-])c2C1 ZINC001242364837 822968321 /nfs/dbraw/zinc/96/83/21/822968321.db2.gz RHZCIMZHADENQT-UHFFFAOYSA-N -1 1 294.759 3.141 20 0 CGADMM CC(C)[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC001225765244 927190687 /nfs/dbraw/zinc/19/06/87/927190687.db2.gz JZYAKUJSFNUYMS-CYBMUJFWSA-N -1 1 276.361 3.247 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2nc(C(C)(C)C)co2)n1 ZINC001364279548 937233585 /nfs/dbraw/zinc/23/35/85/937233585.db2.gz AVBVOYSEAUWNAD-UHFFFAOYSA-N -1 1 293.392 3.322 20 0 CGADMM O=C(Nc1c[n-][nH]c1=O)c1cc2c(s1)CCCCCC2 ZINC001434432817 937248848 /nfs/dbraw/zinc/24/88/48/937248848.db2.gz HSMQCDAMVXHGQT-UHFFFAOYSA-N -1 1 291.376 3.088 20 0 CGADMM CSc1ccccc1[C@H](C)NC(=O)c1ccc([O-])cn1 ZINC001412890002 928720027 /nfs/dbraw/zinc/72/00/27/928720027.db2.gz XWAPYMGVJJEKMX-JTQLQIEISA-N -1 1 288.372 3.000 20 0 CGADMM O=C(Nc1cccc2[nH]ccc21)c1ccc(F)c([O-])c1 ZINC001443014622 937344763 /nfs/dbraw/zinc/34/47/63/937344763.db2.gz KXNKNZNDVODZTL-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM CC[C@@H](C)[C@H](C)N(C(=O)C(=O)c1ccc([O-])cc1)C1CC1 ZINC001443711340 937348302 /nfs/dbraw/zinc/34/83/02/937348302.db2.gz MAQAJJWTKYPJIC-NEPJUHHUSA-N -1 1 289.375 3.001 20 0 CGADMM O=C(Nc1ccc(CC(F)(F)F)cc1)c1ccc([O-])cn1 ZINC001444586899 937353051 /nfs/dbraw/zinc/35/30/51/937353051.db2.gz ZRASMZDVGKDYID-UHFFFAOYSA-N -1 1 296.248 3.144 20 0 CGADMM O=C(Nc1ccccc1-c1cn[nH]c1)c1ccc(F)c([O-])c1 ZINC001446659091 937364354 /nfs/dbraw/zinc/36/43/54/937364354.db2.gz FJTYGTUSUJABEC-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(F)c([O-])c2)CC12CCC2 ZINC001446847261 937365144 /nfs/dbraw/zinc/36/51/44/937365144.db2.gz RAAWGFAFBGKYOJ-LLVKDONJSA-N -1 1 277.339 3.184 20 0 CGADMM Cc1ccc2c(c1)CCN2C(=O)c1cccc([O-])c1F ZINC001448980249 937377311 /nfs/dbraw/zinc/37/73/11/937377311.db2.gz YFFGCOPSFDJNHD-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM C=Cc1ccc(CCNC(=O)c2cccc([O-])c2F)cc1 ZINC001450062903 937382270 /nfs/dbraw/zinc/38/22/70/937382270.db2.gz MOTYUOGYPGNVSI-UHFFFAOYSA-N -1 1 285.318 3.147 20 0 CGADMM CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC001451422659 937390354 /nfs/dbraw/zinc/39/03/54/937390354.db2.gz GFVAQVUFRSVMSA-TZMCWYRMSA-N -1 1 297.782 3.123 20 0 CGADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001455451822 937417747 /nfs/dbraw/zinc/41/77/47/937417747.db2.gz RGVXQZGAMDQYAK-XHDPSFHLSA-N -1 1 281.783 3.344 20 0 CGADMM CC1(C(=O)NCCc2c(F)cc([O-])cc2F)CCCCC1 ZINC001456191567 937427444 /nfs/dbraw/zinc/42/74/44/937427444.db2.gz DJIWDFNBRXDPEB-UHFFFAOYSA-N -1 1 297.345 3.300 20 0 CGADMM Cc1cnc(SCCSc2ccccc2)[n-]c1=O ZINC001459097052 937479601 /nfs/dbraw/zinc/47/96/01/937479601.db2.gz WNMYWEWEFTWEJK-UHFFFAOYSA-N -1 1 278.402 3.375 20 0 CGADMM Cc1cnc(SCc2ccc(F)c(F)c2)[n-]c1=O ZINC001459096491 937479775 /nfs/dbraw/zinc/47/97/75/937479775.db2.gz SXXDHHAWCJXEAN-UHFFFAOYSA-N -1 1 268.288 3.061 20 0 CGADMM O=c1ccc2c(OC3Cc4ccccc4C3)cc([O-])cc2o1 ZINC001229130373 932101033 /nfs/dbraw/zinc/10/10/33/932101033.db2.gz YYRCZJCGRVNXQR-UHFFFAOYSA-N -1 1 294.306 3.045 20 0 CGADMM C[C@@H](Cc1ccco1)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134687 932103637 /nfs/dbraw/zinc/10/36/37/932103637.db2.gz ILUFVJCZINABHL-JTQLQIEISA-N -1 1 286.283 3.102 20 0 CGADMM CCc1nc(C(=O)[N-]c2cccc(F)c2SC)co1 ZINC001461501551 937583750 /nfs/dbraw/zinc/58/37/50/937583750.db2.gz ANQVKFYEMQKQRJ-UHFFFAOYSA-N -1 1 280.324 3.350 20 0 CGADMM Cc1cc2nccn2cc1-c1cc(F)c([O-])c(F)c1 ZINC001244094112 932707048 /nfs/dbraw/zinc/70/70/48/932707048.db2.gz ONJLDEVLUUSOQZ-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM C[C@H]1CCC[C@@H]1CC(=O)NCCc1c(F)cc([O-])cc1F ZINC001304012302 932839574 /nfs/dbraw/zinc/83/95/74/932839574.db2.gz KOYCJDAOVIUAMM-WDEREUQCSA-N -1 1 297.345 3.155 20 0 CGADMM CC(C)n1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)cn1 ZINC001304284975 932846899 /nfs/dbraw/zinc/84/68/99/932846899.db2.gz VWXCBZQDMZOCHT-UHFFFAOYSA-N -1 1 297.717 3.214 20 0 CGADMM C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001305147643 932862324 /nfs/dbraw/zinc/86/23/24/932862324.db2.gz YJEIHACMCUOLJF-BXKDBHETSA-N -1 1 299.292 3.496 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])C1CCC=CCC1 ZINC001306827070 932887873 /nfs/dbraw/zinc/88/78/73/932887873.db2.gz QBAXLYRHOCJBGP-UHFFFAOYSA-N -1 1 266.728 3.126 20 0 CGADMM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1sccc1Cl ZINC001309436949 933234643 /nfs/dbraw/zinc/23/46/43/933234643.db2.gz NLVIWMVAORRQGB-BDAKNGLRSA-N -1 1 293.841 3.116 20 0 CGADMM CC(C)[C@H]1CCCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001465193577 937698806 /nfs/dbraw/zinc/69/88/06/937698806.db2.gz RSORMDLZEHDBOT-LBPRGKRZSA-N -1 1 279.355 3.430 20 0 CGADMM CCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H]1CCCC[C@@H]1C ZINC001464773185 937695134 /nfs/dbraw/zinc/69/51/34/937695134.db2.gz XHMQTUAAMLWAEK-SWLSCSKDSA-N -1 1 289.375 3.002 20 0 CGADMM CCSCC[C@H](C)N(C)C(=O)c1ccc(F)c([O-])c1 ZINC001465402034 937700258 /nfs/dbraw/zinc/70/02/58/937700258.db2.gz YYPPZLRXTYQJSJ-JTQLQIEISA-N -1 1 285.384 3.135 20 0 CGADMM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1ncccc1[O-] ZINC001466709319 937711957 /nfs/dbraw/zinc/71/19/57/937711957.db2.gz YSYZZNVFIHLRDN-LRDDRELGSA-N -1 1 296.370 3.231 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CC2(CC2)c2ccccc21 ZINC001467243402 937716370 /nfs/dbraw/zinc/71/63/70/937716370.db2.gz AVDDFPAYUYGZBZ-UHFFFAOYSA-N -1 1 283.302 3.223 20 0 CGADMM CCCc1occc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001468747517 937731255 /nfs/dbraw/zinc/73/12/55/937731255.db2.gz GGZCUIWGHHSGKZ-UHFFFAOYSA-N -1 1 281.258 3.468 20 0 CGADMM Cc1cccc(CN(C)C(=O)c2cccc([O-])c2F)c1C ZINC001468389272 937727476 /nfs/dbraw/zinc/72/74/76/937727476.db2.gz NOABXFHXPFYOKH-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM Cc1cn(CC(=O)Nc2c([O-])cccc2F)c2ccccc12 ZINC001469929229 937745825 /nfs/dbraw/zinc/74/58/25/937745825.db2.gz QMCIDTCTVSAGIY-UHFFFAOYSA-N -1 1 298.317 3.433 20 0 CGADMM CC1(C)CCC[C@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001469936904 937746246 /nfs/dbraw/zinc/74/62/46/937746246.db2.gz HDZFWZBRUFLMSY-LBPRGKRZSA-N -1 1 251.301 3.062 20 0 CGADMM COc1cncc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC001470966528 937759871 /nfs/dbraw/zinc/75/98/71/937759871.db2.gz DNDYPQYCKJWPOE-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM C[C@H](C(=O)NCc1ccc([O-])c(Cl)c1)c1ccco1 ZINC001471700103 937768513 /nfs/dbraw/zinc/76/85/13/937768513.db2.gz HGJSCYGYOSIGIT-VIFPVBQESA-N -1 1 279.723 3.059 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001472534968 937777080 /nfs/dbraw/zinc/77/70/80/937777080.db2.gz NTUSVRGVDYSQCN-ZMLRMANQSA-N -1 1 263.312 3.296 20 0 CGADMM CN(CCC(F)(F)F)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001326548389 934988938 /nfs/dbraw/zinc/98/89/38/934988938.db2.gz WEHHSGQVUCKHPR-SNVBAGLBSA-N -1 1 295.688 3.350 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ncc(Cl)s3)n2)c(F)c1 ZINC001329686452 935239634 /nfs/dbraw/zinc/23/96/34/935239634.db2.gz VGQQEBYWZKGWLB-UHFFFAOYSA-N -1 1 297.698 3.358 20 0 CGADMM O=C(CC(C1CC1)C1CC1)Nc1ccc([O-])c(F)c1F ZINC001330803462 935324503 /nfs/dbraw/zinc/32/45/03/935324503.db2.gz BLISXQUCJIQTTA-UHFFFAOYSA-N -1 1 281.302 3.435 20 0 CGADMM CCCCN(C(=O)c1cnncc1[O-])[C@H]1CCC[C@H](C)C1 ZINC001335971785 936169700 /nfs/dbraw/zinc/16/97/00/936169700.db2.gz XPDSIMYBHFBDRF-STQMWFEESA-N -1 1 291.395 3.003 20 0 CGADMM CCc1ccc(N(CC(C)C)C(=O)c2cnncc2[O-])cc1 ZINC001337260398 936247008 /nfs/dbraw/zinc/24/70/08/936247008.db2.gz JIOGLMSNPZKVGI-UHFFFAOYSA-N -1 1 299.374 3.047 20 0 CGADMM O=C(NCc1cccs1)c1ccc2ccc(O)cc2c1[O-] ZINC001538617043 938119518 /nfs/dbraw/zinc/11/95/18/938119518.db2.gz AZXDOLHCXILZEZ-UHFFFAOYSA-N -1 1 299.351 3.243 20 0 CGADMM Cc1ncc(-c2ccc(NC(=O)c3ccc([O-])cn3)cc2)o1 ZINC001540172519 938128355 /nfs/dbraw/zinc/12/83/55/938128355.db2.gz AYQSOJASIOHGPY-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM CC(C)c1cc([N-]C(=O)c2c(F)ccc(F)c2F)no1 ZINC001540230956 938128928 /nfs/dbraw/zinc/12/89/28/938128928.db2.gz KIQIWLPHXBKKDJ-UHFFFAOYSA-N -1 1 284.237 3.468 20 0 CGADMM CCC1CCC(CNC(=O)c2ncc(C)cc2[O-])CC1 ZINC001543410705 938139273 /nfs/dbraw/zinc/13/92/73/938139273.db2.gz XNRRJEXMVSDELY-UHFFFAOYSA-N -1 1 276.380 3.042 20 0 CGADMM O=C(NCc1c(F)cccc1Cl)c1ccc([O-])cc1F ZINC001543486510 938139748 /nfs/dbraw/zinc/13/97/48/938139748.db2.gz JJDAQOYQRACPPH-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM O=C(NCc1c(F)cccc1Cl)c1ccc(F)c([O-])c1 ZINC001543486633 938139764 /nfs/dbraw/zinc/13/97/64/938139764.db2.gz NKZDRVRWGQLXFO-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc([O-])c1F ZINC001543738755 938141294 /nfs/dbraw/zinc/14/12/94/938141294.db2.gz ZRLFZGVSTRSWHP-AWEZNQCLSA-N -1 1 285.318 3.257 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1C[C@@H](C2CC2)C[C@@H]1C1CC1 ZINC001551054082 938175414 /nfs/dbraw/zinc/17/54/14/938175414.db2.gz AITDVRRRHBEJNV-DZGCQCFKSA-N -1 1 289.350 3.182 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cc(F)ccc2O)c1 ZINC001556082313 938201722 /nfs/dbraw/zinc/20/17/22/938201722.db2.gz JOHNURURXZKVPP-UHFFFAOYSA-N -1 1 293.319 3.211 20 0 CGADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001556356921 938203321 /nfs/dbraw/zinc/20/33/21/938203321.db2.gz MVXFHPVHDJODLR-GFCCVEGCSA-N -1 1 279.355 3.430 20 0 CGADMM C[C@@H](CC(=O)Nc1cc(F)cc(F)c1[O-])c1ccco1 ZINC001557086842 938207802 /nfs/dbraw/zinc/20/78/02/938207802.db2.gz IFYKNGJRAWRDFB-QMMMGPOBSA-N -1 1 281.258 3.396 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cc2c(o1)CCCC2 ZINC001557087188 938207828 /nfs/dbraw/zinc/20/78/28/938207828.db2.gz XQNPHVQIGBYNHG-UHFFFAOYSA-N -1 1 293.269 3.395 20 0 CGADMM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2ccc([O-])cn2)C1 ZINC001557155298 938208159 /nfs/dbraw/zinc/20/81/59/938208159.db2.gz DWXXXJMCJXTESU-GXTWGEPZSA-N -1 1 288.391 3.076 20 0 CGADMM O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cccc([O-])c1F ZINC001557190184 938208457 /nfs/dbraw/zinc/20/84/57/938208457.db2.gz VKQUDRZFTDANER-TZMCWYRMSA-N -1 1 285.318 3.065 20 0 CGADMM O=C(Cc1cccc(Cl)c1)Nc1cccc(F)c1[O-] ZINC001557956984 938212778 /nfs/dbraw/zinc/21/27/78/938212778.db2.gz POZZLQCKNZMJHO-UHFFFAOYSA-N -1 1 279.698 3.366 20 0 CGADMM [O-]c1cccc(CNCc2noc3ccccc23)c1Cl ZINC001560586880 938263905 /nfs/dbraw/zinc/26/39/05/938263905.db2.gz RLHPHQOYLBOBHP-UHFFFAOYSA-N -1 1 288.734 3.477 20 0 CGADMM CCOc1cccc(Cl)c1CN(C)CCCC(=O)[O-] ZINC001592993900 951385002 /nfs/dbraw/zinc/38/50/02/951385002.db2.gz XHOMCKMTSUOYBJ-UHFFFAOYSA-N -1 1 285.771 3.035 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN[C@H](C)c1cccc(O)c1 ZINC000383935006 971902084 /nfs/dbraw/zinc/90/20/84/971902084.db2.gz KIDZEQYMSOTHJO-SECBINFHSA-N -1 1 291.372 3.311 20 0 CGADMM Cc1ccc([C@@H](C)NCc2cc(C(=O)[O-])co2)s1 ZINC000228169296 959999323 /nfs/dbraw/zinc/99/93/23/959999323.db2.gz CZHKQROEUKKOTO-SECBINFHSA-N -1 1 265.334 3.199 20 0 CGADMM COc1c(Cl)cccc1NC(=O)c1cccc([O-])c1F ZINC001597505933 960539251 /nfs/dbraw/zinc/53/92/51/960539251.db2.gz KPSMRWYJKKVSDQ-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CC(C)[C@@H]1CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001566883119 960574461 /nfs/dbraw/zinc/57/44/61/960574461.db2.gz FUJCCYOMXAGVPX-NSHDSACASA-N -1 1 287.281 3.282 20 0 CGADMM CC(C)c1csc(NC(=O)c2ccc(F)c([O-])c2)n1 ZINC001565739884 960813282 /nfs/dbraw/zinc/81/32/82/960813282.db2.gz FXMQCULKQDSDPU-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cccc([O-])c1F ZINC001566146757 960896814 /nfs/dbraw/zinc/89/68/14/960896814.db2.gz DWQPINCGLZVNFS-CHWSQXEVSA-N -1 1 277.339 3.230 20 0 CGADMM Cc1ccc(NC(=O)c2ccc(F)c([O-])c2)c(C)c1O ZINC001566332307 960920290 /nfs/dbraw/zinc/92/02/90/960920290.db2.gz BVMQYUYXADFLFI-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM CCc1ccc(O)c(C(=O)Nc2ccc3nc(C)[nH]c3c2)c1 ZINC001566329386 960922309 /nfs/dbraw/zinc/92/23/09/960922309.db2.gz WDWQHDJLGCQQLJ-UHFFFAOYSA-N -1 1 295.342 3.392 20 0 CGADMM C[C@@H]1CN(C(=O)c2cccc([O-])c2F)[C@@H]2CCCC[C@@H]21 ZINC001566798353 961018913 /nfs/dbraw/zinc/01/89/13/961018913.db2.gz GKFBZCPQMYOMEU-NQBHXWOUSA-N -1 1 277.339 3.182 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC001567632355 961367198 /nfs/dbraw/zinc/36/71/98/961367198.db2.gz KHCRMBLREMFFEY-NSHDSACASA-N -1 1 296.326 3.333 20 0 CGADMM O=C(CCCc1nccs1)Nc1ccc([O-])c(F)c1F ZINC001569010727 961668016 /nfs/dbraw/zinc/66/80/16/961668016.db2.gz LAKCNNSKTVKRIG-UHFFFAOYSA-N -1 1 298.314 3.088 20 0 CGADMM CC(C)(C)C1CC(NC(=O)c2cc(F)ccc2[O-])C1 ZINC001569738118 961842446 /nfs/dbraw/zinc/84/24/46/961842446.db2.gz YKKPBFOXSNCIIQ-UHFFFAOYSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1ccc(CNCc2cccc(C(=O)[O-])c2)c(Cl)n1 ZINC001574367740 962299865 /nfs/dbraw/zinc/29/98/65/962299865.db2.gz LDHCUJQNYVOHQY-UHFFFAOYSA-N -1 1 290.750 3.031 20 0 CGADMM CSCCCSc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001580226286 962707543 /nfs/dbraw/zinc/70/75/43/962707543.db2.gz SSXRAIBIPVLFHS-UHFFFAOYSA-N -1 1 298.412 3.159 20 0 CGADMM Cc1cnc(C(=O)NC(C)(C)C2CCCCC2)c([O-])c1 ZINC001584769003 962953494 /nfs/dbraw/zinc/95/34/94/962953494.db2.gz HQEGGRNYLQBZCK-UHFFFAOYSA-N -1 1 276.380 3.184 20 0 CGADMM Cc1cccc(CN(C)Cc2ccc(C(=O)[O-])cc2)c1F ZINC000395122670 972776350 /nfs/dbraw/zinc/77/63/50/972776350.db2.gz YOASKVMZMXPJKE-UHFFFAOYSA-N -1 1 287.334 3.464 20 0 CGADMM Cc1cc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)oc1C ZINC001605145419 972822741 /nfs/dbraw/zinc/82/27/41/972822741.db2.gz GRHWVVWVKFBSKK-LLVKDONJSA-N -1 1 273.332 3.445 20 0 CGADMM CC(C)c1[nH]c(CN2CC(C3CCCC3)C2)cc1C(=O)[O-] ZINC001591910899 976326581 /nfs/dbraw/zinc/32/65/81/976326581.db2.gz PHTTURNUFJMHTK-UHFFFAOYSA-N -1 1 290.407 3.458 20 0 CGADMM C[C@](CCF)(NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC001592507695 978328000 /nfs/dbraw/zinc/32/80/00/978328000.db2.gz VGHYCBGPBDFAOY-MRXNPFEDSA-N -1 1 291.322 3.239 20 0 CGADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)CCC1(F)F ZINC001594535875 986149712 /nfs/dbraw/zinc/14/97/12/986149712.db2.gz BMXBVJKTGRUKCA-SECBINFHSA-N -1 1 287.281 3.001 20 0 CGADMM CC[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(F)cc1 ZINC001597291671 987380442 /nfs/dbraw/zinc/38/04/42/987380442.db2.gz RJJQUNZITZEJMV-OAHLLOKOSA-N -1 1 288.322 3.160 20 0 CGADMM C[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1cccs1 ZINC001599841723 988849597 /nfs/dbraw/zinc/84/95/97/988849597.db2.gz GSXAWUVPVOVKQQ-VQCYPWCPSA-N -1 1 277.345 3.290 20 0 CGADMM C[C@@H](NCc1cccc(Cl)c1)c1cc(C(=O)[O-])co1 ZINC001593304515 994748147 /nfs/dbraw/zinc/74/81/47/994748147.db2.gz NCKBQNFOLWXCTC-SECBINFHSA-N -1 1 279.723 3.482 20 0 CGADMM C[C@@]1(C2CCCCC2)CCN1Cc1nc(C(=O)[O-])cs1 ZINC001593992699 997274795 /nfs/dbraw/zinc/27/47/95/997274795.db2.gz NMCHSYGNQDLFBI-HNNXBMFYSA-N -1 1 294.420 3.386 20 0 CGADMM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1[NH2+]Cc1ccc([O-])c(Cl)c1 ZINC001594185689 998719522 /nfs/dbraw/zinc/71/95/22/998719522.db2.gz RCDIQEZNLIFNMQ-XWIASGKRSA-N -1 1 297.782 3.025 20 0 CGADMM C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])o1 ZINC001594216866 998834574 /nfs/dbraw/zinc/83/45/74/998834574.db2.gz YBPLSUXOOLRLLG-BDAKNGLRSA-N -1 1 291.269 3.141 20 0 CGADMM CCOc1cc(C(=O)N2CC[C@@H](CC)C2)cc(Cl)c1[O-] ZINC000273867307 192340697 /nfs/dbraw/zinc/34/06/97/192340697.db2.gz PEXYWKVYRYSKNR-SNVBAGLBSA-N -1 1 297.782 3.316 20 0 CGADMM CCc1nc(SCc2ccnc(C)c2)[n-]c(=O)c1C ZINC000621996956 349619463 /nfs/dbraw/zinc/61/94/63/349619463.db2.gz AOFSGUKOEWGLMC-UHFFFAOYSA-N -1 1 275.377 3.049 20 0 CGADMM CC[C@@H](C)c1ncc(NC(=O)c2cc(F)ccc2[O-])cn1 ZINC000436918769 529434802 /nfs/dbraw/zinc/43/48/02/529434802.db2.gz IYPGTCHXFARTOD-SECBINFHSA-N -1 1 289.310 3.087 20 0 CGADMM CC[C@@H](C)n1ncc(NC(=O)c2ccccc2[O-])c1C ZINC000436596786 529443777 /nfs/dbraw/zinc/44/37/77/529443777.db2.gz NOCCTYLNEIWMQL-SNVBAGLBSA-N -1 1 273.336 3.120 20 0 CGADMM CC(C)CC1(CNC(=O)c2c([O-])cccc2F)CCC1 ZINC000622426879 349677299 /nfs/dbraw/zinc/67/72/99/349677299.db2.gz BKBVRWOTPDIITJ-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM CCc1ccnc(-c2noc(-c3ccc([O-])cc3F)n2)c1 ZINC000436596703 529624493 /nfs/dbraw/zinc/62/44/93/529624493.db2.gz QYBHQIGKUBVWDR-UHFFFAOYSA-N -1 1 285.278 3.206 20 0 CGADMM CCc1ncc(NC(=O)c2ccc(C(C)C)cc2[O-])cn1 ZINC000436737044 529758829 /nfs/dbraw/zinc/75/88/29/529758829.db2.gz KJGOKLHJNTXYPE-UHFFFAOYSA-N -1 1 285.347 3.120 20 0 CGADMM CCN(CCSC)C(=O)c1cc2ccccc2cc1[O-] ZINC000592746777 347015580 /nfs/dbraw/zinc/01/55/80/347015580.db2.gz VTRKKTUXZPLEEI-UHFFFAOYSA-N -1 1 289.400 3.371 20 0 CGADMM Cc1cc(CN(C)Cc2ccc(F)cc2)oc1C(=O)[O-] ZINC000048875706 345069624 /nfs/dbraw/zinc/06/96/24/345069624.db2.gz MBKPRWCPONJRAK-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000069602542 345382872 /nfs/dbraw/zinc/38/28/72/345382872.db2.gz ZBOCOECIPQPHPF-SNVBAGLBSA-N -1 1 291.363 3.068 20 0 CGADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccccn1 ZINC000172050457 232270421 /nfs/dbraw/zinc/27/04/21/232270421.db2.gz ITRXEOQIILYCKA-GFCCVEGCSA-N -1 1 292.338 3.431 20 0 CGADMM COc1ccccc1CN(C)Cc1ccsc1C(=O)[O-] ZINC000110955782 345947214 /nfs/dbraw/zinc/94/72/14/345947214.db2.gz YVQBJRQPYAOETA-UHFFFAOYSA-N -1 1 291.372 3.087 20 0 CGADMM O=C([N-]c1nnc(C2CC2)s1)c1c(F)cc(F)cc1F ZINC000129519073 346050177 /nfs/dbraw/zinc/05/01/77/346050177.db2.gz FMHSDQNEYWSFOQ-UHFFFAOYSA-N -1 1 299.277 3.085 20 0 CGADMM CC1(C)CC(NC(=O)c2cncc([O-])c2)CC(C)(C)C1 ZINC000131015734 346062165 /nfs/dbraw/zinc/06/21/65/346062165.db2.gz VHZDSCLNCSBHFC-UHFFFAOYSA-N -1 1 276.380 3.122 20 0 CGADMM COc1ccc(-c2nc(C3(C)CCCC3)no2)c([O-])c1 ZINC000312951321 346478368 /nfs/dbraw/zinc/47/83/68/346478368.db2.gz UXPMTFYGSQIJBD-UHFFFAOYSA-N -1 1 274.320 3.283 20 0 CGADMM CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1ncccc1O ZINC000584688042 346707349 /nfs/dbraw/zinc/70/73/49/346707349.db2.gz ZSUAGUYDAKOWPA-OAHLLOKOSA-N -1 1 286.375 3.379 20 0 CGADMM O=c1cc(C(F)F)nc(SCCCc2ccncc2)[n-]1 ZINC000351886954 219238153 /nfs/dbraw/zinc/23/81/53/219238153.db2.gz QXIGRYJBOMKKPD-UHFFFAOYSA-N -1 1 297.330 3.240 20 0 CGADMM COc1cc(C(=O)Nc2c([O-])cccc2F)ccc1C ZINC000605439578 348155637 /nfs/dbraw/zinc/15/56/37/348155637.db2.gz XVZPGBAJHCWMMU-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM CC(C)c1nc(=NCC(C)(C)c2cccc(F)c2)o[n-]1 ZINC000605694062 348166542 /nfs/dbraw/zinc/16/65/42/348166542.db2.gz NCEKHRBXZXRDME-UHFFFAOYSA-N -1 1 277.343 3.144 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cncc2ccccc21 ZINC000608366252 348301598 /nfs/dbraw/zinc/30/15/98/348301598.db2.gz HBRZMTKASGZTKV-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CC[C@H](C)CN(CC)C(=O)c1ncc2ccccc2c1[O-] ZINC000611936630 348481209 /nfs/dbraw/zinc/48/12/09/348481209.db2.gz ZKKYGLHFHVXLNR-LBPRGKRZSA-N -1 1 286.375 3.449 20 0 CGADMM C[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])CC1(C)C ZINC000613509318 348613344 /nfs/dbraw/zinc/61/33/44/348613344.db2.gz ZMRGDJIAJZHAMZ-LBPRGKRZSA-N -1 1 298.386 3.449 20 0 CGADMM CC[C@H]1[C@H](C)CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613626379 348624141 /nfs/dbraw/zinc/62/41/41/348624141.db2.gz NEFLPGQUMVAFSU-RISCZKNCSA-N -1 1 284.359 3.201 20 0 CGADMM C[C@H]1N(C(=O)c2cncc([O-])c2)c2ccccc2C1(C)C ZINC000619018441 349195448 /nfs/dbraw/zinc/19/54/48/349195448.db2.gz GRWQSBVWGFHESO-LLVKDONJSA-N -1 1 282.343 3.114 20 0 CGADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)ccc([O-])c1F ZINC000620429407 349370666 /nfs/dbraw/zinc/37/06/66/349370666.db2.gz NIINIIKPVQPKAG-PBINXNQUSA-N -1 1 281.302 3.074 20 0 CGADMM CCC(F)(F)C(C)(C)CNC(=O)c1cc(F)ccc1[O-] ZINC000628880988 350617008 /nfs/dbraw/zinc/61/70/08/350617008.db2.gz FUVMCSAFFRXGLW-UHFFFAOYSA-N -1 1 289.297 3.333 20 0 CGADMM CCC(F)(F)CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000628840879 350612521 /nfs/dbraw/zinc/61/25/21/350612521.db2.gz IDBOJDOXXATXQF-UHFFFAOYSA-N -1 1 297.223 3.186 20 0 CGADMM C/C=C/C[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000629873621 350781331 /nfs/dbraw/zinc/78/13/31/350781331.db2.gz QKFNDQKPMDJREF-JDGPPOGSSA-N -1 1 277.339 3.350 20 0 CGADMM Cc1cccc(C)c1CN[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000630463637 350843806 /nfs/dbraw/zinc/84/38/06/350843806.db2.gz DFOJTOAEQRDJQH-NSHDSACASA-N -1 1 290.388 3.309 20 0 CGADMM Cc1nc(SCc2cncs2)[n-]c(=O)c1C1CC1 ZINC000631023906 350927648 /nfs/dbraw/zinc/92/76/48/350927648.db2.gz ZLHNVIOPSQJEDP-UHFFFAOYSA-N -1 1 279.390 3.117 20 0 CGADMM Cc1nc(S[C@H](C)C(F)(F)F)[n-]c(=O)c1C1CC1 ZINC000631023873 350927965 /nfs/dbraw/zinc/92/79/65/350927965.db2.gz GXCJUVDWGCPZJM-ZCFIWIBFSA-N -1 1 278.299 3.411 20 0 CGADMM C[C@H]1CCC[C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000630693938 350871897 /nfs/dbraw/zinc/87/18/97/350871897.db2.gz ASHZDIMILTUIHN-JQWIXIFHSA-N -1 1 281.783 3.283 20 0 CGADMM CC(C)(C)CCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630727449 350879446 /nfs/dbraw/zinc/87/94/46/350879446.db2.gz QTGCLWCLIJERJW-UHFFFAOYSA-N -1 1 269.772 3.141 20 0 CGADMM CCN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000630757572 350883693 /nfs/dbraw/zinc/88/36/93/350883693.db2.gz OKGZFRXMZDGGOI-UHFFFAOYSA-N -1 1 281.783 3.379 20 0 CGADMM CC[C@@H](C)[C@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630821255 350894280 /nfs/dbraw/zinc/89/42/80/350894280.db2.gz UBDVZJQZDVQMRG-ZJUUUORDSA-N -1 1 269.772 3.139 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC1(C2CC2)CCC1 ZINC000632058981 351162686 /nfs/dbraw/zinc/16/26/86/351162686.db2.gz YLYGLNCYXWQXBG-UHFFFAOYSA-N -1 1 293.794 3.285 20 0 CGADMM O=S(=O)([N-][C@]12C[C@H]1CCCC2)c1sccc1Cl ZINC000632653648 351207597 /nfs/dbraw/zinc/20/75/97/351207597.db2.gz JGMZVJDZCWSQME-LDYMZIIASA-N -1 1 291.825 3.013 20 0 CGADMM CC(C)C(C)(C)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632684280 351208775 /nfs/dbraw/zinc/20/87/75/351208775.db2.gz ASBCFOXVGGVHGT-UHFFFAOYSA-N -1 1 283.799 3.387 20 0 CGADMM C[C@H]1CCC[C@H]1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632858130 351224848 /nfs/dbraw/zinc/22/48/48/351224848.db2.gz ZAIPYBLMBVPZAQ-JQWIXIFHSA-N -1 1 281.783 3.141 20 0 CGADMM CC1(F)CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000634357162 351472885 /nfs/dbraw/zinc/47/28/85/351472885.db2.gz ILHLMHAHOMALNV-UHFFFAOYSA-N -1 1 271.719 3.010 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3cccc4cccnc43)c(=O)c2C1 ZINC000634592873 351528450 /nfs/dbraw/zinc/52/84/50/351528450.db2.gz XHANUFSHVJYIPP-WFASDCNBSA-N -1 1 293.370 3.369 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3cccc(Cl)c3F)c(=O)c21 ZINC000634595131 351531173 /nfs/dbraw/zinc/53/11/73/351531173.db2.gz RADDBSIEPAYBJU-CPCISQLKSA-N -1 1 266.703 3.228 20 0 CGADMM CCc1c(-c2ccccc2)[n-]n([C@H](C)C(F)(F)F)c1=O ZINC000634630651 351552874 /nfs/dbraw/zinc/55/28/74/351552874.db2.gz BHAXLUKKPICEPH-MWLCHTKSSA-N -1 1 284.281 3.210 20 0 CGADMM CN(CCC(=O)[O-])Cc1cc(Cl)cc(Cl)c1F ZINC000635014554 351631688 /nfs/dbraw/zinc/63/16/88/351631688.db2.gz ACWAVVLGZLDFLV-UHFFFAOYSA-N -1 1 280.126 3.039 20 0 CGADMM C/C(=C/c1cccc(Cl)c1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000123309632 187084430 /nfs/dbraw/zinc/08/44/30/187084430.db2.gz NYLBFCXRQXQDTH-FPAJZGIOSA-N -1 1 295.766 3.318 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c1 ZINC000048654494 137902935 /nfs/dbraw/zinc/90/29/35/137902935.db2.gz FHWIPLFJDWSSQX-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC2(CCC2)[C@@H]1C1CC1 ZINC000292153676 198184634 /nfs/dbraw/zinc/18/46/34/198184634.db2.gz VOZYSYSBIBNFLM-AWEZNQCLSA-N -1 1 291.778 3.450 20 0 CGADMM Cc1nc(SCCN(C)c2ccccc2)[n-]c(=O)c1C ZINC000537413503 288528845 /nfs/dbraw/zinc/52/88/45/288528845.db2.gz PLTVBVDLYGPZAY-UHFFFAOYSA-N -1 1 289.404 3.028 20 0 CGADMM C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(F)ccc1[O-] ZINC000094153447 291098736 /nfs/dbraw/zinc/09/87/36/291098736.db2.gz DUDJYATYTNETJJ-MJVIPROJSA-N -1 1 277.339 3.325 20 0 CGADMM Cc1ccc(CN[C@H](CC2CCCCC2)C(=O)[O-])o1 ZINC000417605449 235639579 /nfs/dbraw/zinc/63/95/79/235639579.db2.gz BDYGFMSOEPCOAN-CQSZACIVSA-N -1 1 265.353 3.101 20 0 CGADMM O=C(Nc1ccncc1[O-])c1ccc2ccccc2c1 ZINC000109889590 138362422 /nfs/dbraw/zinc/36/24/22/138362422.db2.gz YRXOTMYPBAPPRJ-UHFFFAOYSA-N -1 1 264.284 3.193 20 0 CGADMM CO[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])[C@@H](C)C1 ZINC000320061204 138590038 /nfs/dbraw/zinc/59/00/38/138590038.db2.gz VLHWAXLSEDQUCP-WFASDCNBSA-N -1 1 299.370 3.185 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2ncoc2C2CC2)[n-]1 ZINC000436248138 237055774 /nfs/dbraw/zinc/05/57/74/237055774.db2.gz AYEPDAIPUWLDJZ-UHFFFAOYSA-N -1 1 289.360 3.217 20 0 CGADMM C[C@H](CNC(=O)c1cc2ccccc2cc1[O-])C(F)(F)F ZINC000436958107 237223188 /nfs/dbraw/zinc/22/31/88/237223188.db2.gz ZICQVYAHKOMMRK-SECBINFHSA-N -1 1 297.276 3.474 20 0 CGADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc([O-])cc1F ZINC000181223146 189291115 /nfs/dbraw/zinc/29/11/15/189291115.db2.gz VHRWUWLRXVVWRI-ZETOZRRWSA-N -1 1 277.339 3.325 20 0 CGADMM CC(C)c1ccc2occ(C(=O)Nc3ccncc3[O-])c2c1 ZINC000342404178 216340751 /nfs/dbraw/zinc/34/07/51/216340751.db2.gz QNBIHORMQKRBTM-UHFFFAOYSA-N -1 1 296.326 3.331 20 0 CGADMM CC(=O)CCCCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000450906982 240147043 /nfs/dbraw/zinc/14/70/43/240147043.db2.gz JAIJQIZGVMNZCS-UHFFFAOYSA-N -1 1 280.393 3.301 20 0 CGADMM CCS[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)C(C)C ZINC000456792685 241490093 /nfs/dbraw/zinc/49/00/93/241490093.db2.gz JOOSFNPMZNLLHZ-GFCCVEGCSA-N -1 1 289.347 3.387 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCC[C@@H](F)C1 ZINC000335515380 212200881 /nfs/dbraw/zinc/20/08/81/212200881.db2.gz RAKQSBJXOYJTRI-HTQZYQBOSA-N -1 1 273.254 3.137 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(F)c(F)c2F)c([O-])c1 ZINC000019838428 368770561 /nfs/dbraw/zinc/77/05/61/368770561.db2.gz GCMCIKPIIYECCK-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM Cc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000021017840 368810637 /nfs/dbraw/zinc/81/06/37/368810637.db2.gz DECLPJVPMFWYIF-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM COc1ccc(SCC(=O)c2ccc([O-])cc2)cc1 ZINC000035044985 368992288 /nfs/dbraw/zinc/99/22/88/368992288.db2.gz NJPDJNBCJJJKGT-UHFFFAOYSA-N -1 1 274.341 3.376 20 0 CGADMM CN(CCCC(=O)[O-])Cc1csc(-c2ccccc2)n1 ZINC000042716952 369229305 /nfs/dbraw/zinc/22/93/05/369229305.db2.gz UDVKAIBZTCEURZ-UHFFFAOYSA-N -1 1 290.388 3.107 20 0 CGADMM C[C@H](c1ccccc1F)S(=O)(=O)c1ccc([O-])cc1 ZINC000049488893 369404155 /nfs/dbraw/zinc/40/41/55/369404155.db2.gz HXZXUSGKQROJMH-SNVBAGLBSA-N -1 1 280.320 3.066 20 0 CGADMM CCOC(=O)[C@@H](NCc1cccc([O-])c1Cl)[C@@H](C)CC ZINC000513137750 245066415 /nfs/dbraw/zinc/06/64/15/245066415.db2.gz AOAXQHKWOGSHGK-HZMBPMFUSA-N -1 1 299.798 3.113 20 0 CGADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1cccs1 ZINC000147655365 371519742 /nfs/dbraw/zinc/51/97/42/371519742.db2.gz DXFBEBAHSZEHRE-QMMMGPOBSA-N -1 1 265.309 3.084 20 0 CGADMM CC[C@@H]1C[C@@H](NC(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000421663414 371597247 /nfs/dbraw/zinc/59/72/47/371597247.db2.gz OSYJMHCUIKPPPO-UONOGXRCSA-N -1 1 299.370 3.233 20 0 CGADMM CC(C)N(CCC(=O)[O-])Cc1csc(C(C)(C)C)n1 ZINC000037596265 541865312 /nfs/dbraw/zinc/86/53/12/541865312.db2.gz LGYHPLFZUARCBA-UHFFFAOYSA-N -1 1 284.425 3.126 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C[C@H]1C ZINC000153755239 321726733 /nfs/dbraw/zinc/72/67/33/321726733.db2.gz SEPXZFMNJPECHI-NXEZZACHSA-N -1 1 267.756 3.164 20 0 CGADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(Cl)cc1[O-] ZINC000161721063 372349448 /nfs/dbraw/zinc/34/94/48/372349448.db2.gz HDVZKGFCQKSQHH-RKDXNWHRSA-N -1 1 253.729 3.059 20 0 CGADMM CCn1nc(C)c(NCc2cccc([O-])c2Cl)c1C ZINC000293303742 372349685 /nfs/dbraw/zinc/34/96/85/372349685.db2.gz PRKOJIPMSDXJCV-UHFFFAOYSA-N -1 1 279.771 3.491 20 0 CGADMM Cc1c(=O)[n-]c(SCCCF)nc1-c1ccccc1 ZINC000163899004 372497964 /nfs/dbraw/zinc/49/79/64/372497964.db2.gz DVGXJTINHSPFAU-UHFFFAOYSA-N -1 1 278.352 3.197 20 0 CGADMM C[C@]1(C(=O)[O-])CCCN(Cc2cccc(Cl)c2F)C1 ZINC000167041672 372587517 /nfs/dbraw/zinc/58/75/17/372587517.db2.gz BTKKLRYRTAWXLI-AWEZNQCLSA-N -1 1 285.746 3.166 20 0 CGADMM Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000432209956 372546885 /nfs/dbraw/zinc/54/68/85/372546885.db2.gz ICYXWTBWKFNEOE-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC(C)c1ccc(CN(C)C(=O)c2ncccc2[O-])cc1 ZINC000171235841 372728960 /nfs/dbraw/zinc/72/89/60/372728960.db2.gz BXBCZFHSLCTTTJ-UHFFFAOYSA-N -1 1 284.359 3.183 20 0 CGADMM COCCN(Cc1cccc([O-])c1Cl)CC(F)(F)F ZINC000295248216 372716375 /nfs/dbraw/zinc/71/63/75/372716375.db2.gz FTEIVZGPGXZBEU-UHFFFAOYSA-N -1 1 297.704 3.056 20 0 CGADMM O=C(c1ccccc1[O-])N1CC2(CC2)c2ccccc21 ZINC000172433742 372963203 /nfs/dbraw/zinc/96/32/03/372963203.db2.gz FMNLLBPGZRXYMN-UHFFFAOYSA-N -1 1 265.312 3.084 20 0 CGADMM CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@H]2C(C)(C)CC)n1 ZINC000441641174 373030689 /nfs/dbraw/zinc/03/06/89/373030689.db2.gz CCNJPALPDVDCBA-ZDUSSCGKSA-N -1 1 277.412 3.145 20 0 CGADMM Cc1ccc(F)c(-c2cc(=NC(=O)C3CCCC3)[nH][n-]2)c1 ZINC000444776501 373271498 /nfs/dbraw/zinc/27/14/98/373271498.db2.gz CKXSCSRHHKHFCS-UHFFFAOYSA-N -1 1 287.338 3.075 20 0 CGADMM C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)[C@H]1C(=O)[O-] ZINC000300274618 373623933 /nfs/dbraw/zinc/62/39/33/373623933.db2.gz TXINGRPCYIUHHD-NOZJJQNGSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1nc(-c2ccc(N[C@@H]3CC[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000302546785 373893900 /nfs/dbraw/zinc/89/39/00/373893900.db2.gz PGBHRXYCSXNBDH-QMTHXVAHSA-N -1 1 298.390 3.462 20 0 CGADMM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc([O-])cc1F ZINC000308733490 374177752 /nfs/dbraw/zinc/17/77/52/374177752.db2.gz WLOXNMGQUQRDBZ-MEBBXXQBSA-N -1 1 265.328 3.230 20 0 CGADMM CCC1(CC)CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000331249578 374518257 /nfs/dbraw/zinc/51/82/57/374518257.db2.gz VTRZAKSPEVGNJT-UHFFFAOYSA-N -1 1 289.375 3.004 20 0 CGADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(C(F)(F)F)CC1 ZINC000091782793 541969495 /nfs/dbraw/zinc/96/94/95/541969495.db2.gz JOMGFJROGVYBJO-QMMMGPOBSA-N -1 1 291.269 3.313 20 0 CGADMM CC[C@@H](C)c1cc(C(=O)Nc2ccc([O-])c(F)c2F)on1 ZINC000456786354 374623763 /nfs/dbraw/zinc/62/37/63/374623763.db2.gz OPQMFFRETFGWON-SSDOTTSWSA-N -1 1 296.273 3.424 20 0 CGADMM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)C1CC1 ZINC000185642234 374704321 /nfs/dbraw/zinc/70/43/21/374704321.db2.gz YNTVGAOMASIATM-UHFFFAOYSA-N -1 1 294.401 3.023 20 0 CGADMM CO[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H]1C ZINC000334533662 374829943 /nfs/dbraw/zinc/82/99/43/374829943.db2.gz QNZFMASIVPIEJI-BLLLJJGKSA-N -1 1 299.370 3.042 20 0 CGADMM CC(C)N(CCC(=O)[O-])Cc1nc(C(C)(C)C)cs1 ZINC000094969261 541991043 /nfs/dbraw/zinc/99/10/43/541991043.db2.gz HOPGRKBWILWLJK-UHFFFAOYSA-N -1 1 284.425 3.126 20 0 CGADMM CC(C)[C@H](C)C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000473660587 375058532 /nfs/dbraw/zinc/05/85/32/375058532.db2.gz RWNBKIZTMWINAK-VIFPVBQESA-N -1 1 293.317 3.007 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H](C)c2c(F)cccc2F)n1 ZINC000188095484 375157544 /nfs/dbraw/zinc/15/75/44/375157544.db2.gz PBMMATHEDNXJJT-MRVPVSSYSA-N -1 1 296.342 3.464 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc(F)cc2Cl)n1 ZINC000188097147 375157587 /nfs/dbraw/zinc/15/75/87/375157587.db2.gz FRWLHDKWYCHHMG-UHFFFAOYSA-N -1 1 298.770 3.417 20 0 CGADMM C[C@H]1CCN(Cc2cc(F)cc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000335444006 375297881 /nfs/dbraw/zinc/29/78/81/375297881.db2.gz OUKSENAJNUHRHR-TVQRCGJNSA-N -1 1 285.746 3.022 20 0 CGADMM Cc1oc(C2CC2)nc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000335889176 375516380 /nfs/dbraw/zinc/51/63/80/375516380.db2.gz VDBUHZGSLQQQSO-UHFFFAOYSA-N -1 1 292.722 3.472 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1ocnc1C1CC1 ZINC000335996939 375603464 /nfs/dbraw/zinc/60/34/64/375603464.db2.gz GAKTUADFQNPGEF-UHFFFAOYSA-N -1 1 278.695 3.163 20 0 CGADMM CCc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1F ZINC000507567466 375714996 /nfs/dbraw/zinc/71/49/96/375714996.db2.gz OATJFQVGNSNRCS-UHFFFAOYSA-N -1 1 297.326 3.328 20 0 CGADMM C[C@@H]1C[C@@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000336157535 375734450 /nfs/dbraw/zinc/73/44/50/375734450.db2.gz GODZQJUYFKCHND-HTQZYQBOSA-N -1 1 273.254 3.034 20 0 CGADMM Cc1noc(C)c1[N-]C(=O)c1cc(F)c(F)c(F)c1F ZINC000336161852 375737714 /nfs/dbraw/zinc/73/77/14/375737714.db2.gz DIOODJSKCRYFRG-UHFFFAOYSA-N -1 1 288.200 3.100 20 0 CGADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000336179084 375751663 /nfs/dbraw/zinc/75/16/63/375751663.db2.gz JXQCYQKKRSEUPT-KOLCDFICSA-N -1 1 297.782 3.315 20 0 CGADMM Cc1ccc([C@H]2CCCCN2C(=O)c2ncccc2[O-])cc1 ZINC000127514957 542045942 /nfs/dbraw/zinc/04/59/42/542045942.db2.gz HQTCENYQXMVWTH-OAHLLOKOSA-N -1 1 296.370 3.463 20 0 CGADMM CCC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730362054 572346469 /nfs/dbraw/zinc/34/64/69/572346469.db2.gz JIWKGLRPSXKBOS-ZCFIWIBFSA-N -1 1 291.130 3.223 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2ccc(F)cc21 ZINC000336618669 375880952 /nfs/dbraw/zinc/88/09/52/375880952.db2.gz YCIAFSXEZFFNDV-UHFFFAOYSA-N -1 1 293.244 3.012 20 0 CGADMM CO[C@H](C)c1nc(=NCC2(C)CCCCC2)s[n-]1 ZINC000336785727 375936776 /nfs/dbraw/zinc/93/67/76/375936776.db2.gz FSUSSQXBGZMHOQ-SNVBAGLBSA-N -1 1 269.414 3.050 20 0 CGADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)C1CCCCC1 ZINC000195084298 376075804 /nfs/dbraw/zinc/07/58/04/376075804.db2.gz AZPWIHJZISJBKI-UHFFFAOYSA-N -1 1 292.404 3.301 20 0 CGADMM C[C@@H](CC(F)(F)F)NC(=O)c1cc(Cl)ccc1[O-] ZINC000231753943 376570772 /nfs/dbraw/zinc/57/07/72/376570772.db2.gz BPCCXMSSRUEWGW-LURJTMIESA-N -1 1 281.661 3.116 20 0 CGADMM C[C@@H](CCC1CCCCC1)NC(=O)c1cncc([O-])c1 ZINC000339951052 376877016 /nfs/dbraw/zinc/87/70/16/376877016.db2.gz ITLUADKJCXYOST-LBPRGKRZSA-N -1 1 276.380 3.266 20 0 CGADMM C[C@@H](NC(=O)c1ccc(Br)cc1[O-])C1CCC1 ZINC000160230710 542154068 /nfs/dbraw/zinc/15/40/68/542154068.db2.gz WXERSGYHSWBNKK-MRVPVSSYSA-N -1 1 298.180 3.073 20 0 CGADMM CCC[C@H]1CCCC[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000558515241 377016822 /nfs/dbraw/zinc/01/68/22/377016822.db2.gz XYIXPQYQALQZMA-SWLSCSKDSA-N -1 1 289.375 3.050 20 0 CGADMM C[C@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000340329861 377005820 /nfs/dbraw/zinc/00/58/20/377005820.db2.gz SKPKJIMWQRLZJC-UWVGGRQHSA-N -1 1 251.301 3.296 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000340330068 377008324 /nfs/dbraw/zinc/00/83/24/377008324.db2.gz NYBUZUOJBVJTHR-CHWSQXEVSA-N -1 1 289.281 3.413 20 0 CGADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000088707518 249027122 /nfs/dbraw/zinc/02/71/22/249027122.db2.gz IRNIOWSKOCPHQI-VHSXEESVSA-N -1 1 267.756 3.306 20 0 CGADMM CCOC(=O)c1nc(C)[nH]c1NC(=O)CCCCC(C)C ZINC000515373272 249210163 /nfs/dbraw/zinc/21/01/63/249210163.db2.gz AJLGYCQBCGFVNS-UHFFFAOYSA-N -1 1 295.383 3.050 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccco2)cc1F ZINC000574533880 377677340 /nfs/dbraw/zinc/67/73/40/377677340.db2.gz SSLZBUIMBBVBDJ-CQSZACIVSA-N -1 1 289.306 3.454 20 0 CGADMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(-c2ccccc2)o1 ZINC000263433648 377936000 /nfs/dbraw/zinc/93/60/00/377936000.db2.gz SYAWXNXRBRQRBZ-HNNXBMFYSA-N -1 1 285.343 3.386 20 0 CGADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1ccc(F)cc1Cl ZINC000263016165 377913514 /nfs/dbraw/zinc/91/35/14/377913514.db2.gz CYUIVNPEFDSDSE-BXKDBHETSA-N -1 1 285.746 3.164 20 0 CGADMM CCc1ccccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000343425026 377976716 /nfs/dbraw/zinc/97/67/16/377976716.db2.gz 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/nfs/dbraw/zinc/93/18/60/378931860.db2.gz YTXDDQBLMUHABP-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000370664304 379048779 /nfs/dbraw/zinc/04/87/79/379048779.db2.gz DXKKMJDGYJVFOL-SNVBAGLBSA-N -1 1 279.767 3.450 20 0 CGADMM CC[C@H](C)CN(CC)C(=O)c1c(F)ccc([O-])c1F ZINC000348846733 379084096 /nfs/dbraw/zinc/08/40/96/379084096.db2.gz GFYZOGHNQUXAGF-VIFPVBQESA-N -1 1 271.307 3.179 20 0 CGADMM CCCc1cccc(CNCc2ccc(C(=O)[O-])c(C)n2)c1 ZINC000277184104 379093663 /nfs/dbraw/zinc/09/36/63/379093663.db2.gz FLJMLADHDPUTIQ-UHFFFAOYSA-N -1 1 298.386 3.331 20 0 CGADMM C[C@@H]1CC(=O)CC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000278212878 379319586 /nfs/dbraw/zinc/31/95/86/379319586.db2.gz QIVJAKLNEGBIHW-LDYMZIIASA-N -1 1 290.294 3.054 20 0 CGADMM CO[C@@]1(C)CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000279913508 379551694 /nfs/dbraw/zinc/55/16/94/379551694.db2.gz GZETYWPOSHVYKF-HNNXBMFYSA-N -1 1 297.782 3.077 20 0 CGADMM CCO[N-]C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000266938116 190292033 /nfs/dbraw/zinc/29/20/33/190292033.db2.gz PMBPTLQUYUNYDQ-ZETCQYMHSA-N -1 1 262.136 3.165 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CCC[C@H](O)C3)n2)c(Cl)c1 ZINC000350605675 379573980 /nfs/dbraw/zinc/57/39/80/379573980.db2.gz HAJAKPJMQDEWAA-BDAKNGLRSA-N -1 1 294.738 3.114 20 0 CGADMM C[C@H]1CC[C@@]2(CCN(C(=O)c3c(F)ccc([O-])c3F)C2)C1 ZINC000377825550 379745882 /nfs/dbraw/zinc/74/58/82/379745882.db2.gz CRIHHZLNSAZGHO-MGPLVRAMSA-N -1 1 295.329 3.323 20 0 CGADMM CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)C1CCOCC1 ZINC000280835494 379803278 /nfs/dbraw/zinc/80/32/78/379803278.db2.gz PQXNGEUGEVFECT-UHFFFAOYSA-N -1 1 297.782 3.437 20 0 CGADMM Cc1cnc([C@@H](C)[N-]c2nc(C(C)C)no2)s1 ZINC000267441462 190330595 /nfs/dbraw/zinc/33/05/95/190330595.db2.gz YSPFSXBXCAWMPV-MRVPVSSYSA-N -1 1 252.343 3.131 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403705405 379976550 /nfs/dbraw/zinc/97/65/50/379976550.db2.gz VTYOHSYEOPPOAO-AEJSXWLSSA-N -1 1 265.740 3.420 20 0 CGADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)[C@H](C)[C@@H](C)O1 ZINC000353101241 380116056 /nfs/dbraw/zinc/11/60/56/380116056.db2.gz XBFBIZZMMTUVSU-GMTAPVOTSA-N -1 1 269.772 3.043 20 0 CGADMM [O-]c1cccc(CN2CCOC[C@H]2CC2CCC2)c1Cl ZINC000354734368 380542619 /nfs/dbraw/zinc/54/26/19/380542619.db2.gz QKEWFIYGAYDTQJ-CQSZACIVSA-N -1 1 295.810 3.437 20 0 CGADMM CC(C)=CCSC[C@@H](NCc1ccc(C)s1)C(=O)[O-] ZINC000417604346 380647312 /nfs/dbraw/zinc/64/73/12/380647312.db2.gz BKZGLBHZMBWBHW-CYBMUJFWSA-N -1 1 299.461 3.299 20 0 CGADMM O=C([O-])CCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000347243160 542511598 /nfs/dbraw/zinc/51/15/98/542511598.db2.gz UIXDOOAJXDDNRZ-UHFFFAOYSA-N -1 1 284.237 3.140 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2cnc(Cl)s2)[n-]1 ZINC000191505496 130244904 /nfs/dbraw/zinc/24/49/04/130244904.db2.gz NANCYJGCJGIDPQ-UHFFFAOYSA-N -1 1 299.808 3.462 20 0 CGADMM COc1cc(C(=O)N(C(C)C)C2CC2)cc(Cl)c1[O-] ZINC000153750453 392527812 /nfs/dbraw/zinc/52/78/12/392527812.db2.gz SFXPCSZPSPJGGG-UHFFFAOYSA-N -1 1 283.755 3.067 20 0 CGADMM Cc1ccc(CN2CCC(C(=O)c3ccc(O)cc3)CC2)o1 ZINC000372442860 392611785 /nfs/dbraw/zinc/61/17/85/392611785.db2.gz ANOPNSWWCMBXAK-UHFFFAOYSA-N -1 1 299.370 3.389 20 0 CGADMM CCN(Cc1cccc(C(=O)[O-])c1Cl)C[C@H]1CCCO1 ZINC000381555055 392909838 /nfs/dbraw/zinc/90/98/38/392909838.db2.gz GTARFTDQSZYUDG-GFCCVEGCSA-N -1 1 297.782 3.039 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CC(C)(C)O1 ZINC000194656435 392933697 /nfs/dbraw/zinc/93/36/97/392933697.db2.gz IQRGCIOIOMBJRZ-GFCCVEGCSA-N -1 1 299.370 3.185 20 0 CGADMM COc1ccc(CN(C)Cc2cccc([O-])c2Cl)cn1 ZINC000646159698 393232201 /nfs/dbraw/zinc/23/22/01/393232201.db2.gz JJVLHMTULKWFGE-UHFFFAOYSA-N -1 1 292.766 3.081 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1noc2c1CCCCC2 ZINC000276011903 393295191 /nfs/dbraw/zinc/29/51/91/393295191.db2.gz UCENQJXBXCPYIC-UHFFFAOYSA-N -1 1 290.294 3.041 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)CCC(C)(C)c1ccccc1 ZINC000646409804 393280184 /nfs/dbraw/zinc/28/01/84/393280184.db2.gz YOBWLZJUGLEGMV-UHFFFAOYSA-N -1 1 287.363 3.120 20 0 CGADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1ccc([O-])c(F)c1 ZINC000647070091 393335671 /nfs/dbraw/zinc/33/56/71/393335671.db2.gz HJDXZFKGVLOBSL-OAHLLOKOSA-N -1 1 299.345 3.455 20 0 CGADMM CC[C@H](CS(=O)(=O)[N-]c1csc2ccccc12)OC ZINC000421161785 393592619 /nfs/dbraw/zinc/59/26/19/393592619.db2.gz XXCVXEWVCRVTDE-SNVBAGLBSA-N -1 1 299.417 3.068 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1F ZINC000443468867 393759065 /nfs/dbraw/zinc/75/90/65/393759065.db2.gz XPXBBPARYVUYMQ-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM O=C(/C=C/c1ccsc1)Nc1ccc(F)cc1[O-] ZINC000492305290 393717014 /nfs/dbraw/zinc/71/70/14/393717014.db2.gz VGKNMOPWVMTSGP-DAFODLJHSA-N -1 1 263.293 3.245 20 0 CGADMM CC(C)(c1nc(-c2ccc([O-])c(F)c2)no1)c1cccnc1 ZINC000445478715 393798340 /nfs/dbraw/zinc/79/83/40/393798340.db2.gz FPELUTSZHCEVMB-UHFFFAOYSA-N -1 1 299.305 3.302 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@H]1CC1(C)C ZINC000668029622 542960803 /nfs/dbraw/zinc/96/08/03/542960803.db2.gz AVZCDHZQYWLRPA-ZYHUDNBSSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N(C1CC1)C1CCCC1 ZINC000668221537 542992682 /nfs/dbraw/zinc/99/26/82/542992682.db2.gz BSQGZNLUTYQSGR-UHFFFAOYSA-N -1 1 296.370 3.488 20 0 CGADMM CCc1c(C)[n-]n(Cc2cccc(Cl)c2)c1=O ZINC000110459684 397654262 /nfs/dbraw/zinc/65/42/62/397654262.db2.gz BKPOUDCQWLMJBM-GFCCVEGCSA-N -1 1 250.729 3.084 20 0 CGADMM CC[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C(F)F ZINC000650865245 397937829 /nfs/dbraw/zinc/93/78/29/397937829.db2.gz RIBHIDZYOPSVHW-MRVPVSSYSA-N -1 1 297.223 3.185 20 0 CGADMM CC[C@@H]1CCC[C@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000650718799 397901647 /nfs/dbraw/zinc/90/16/47/397901647.db2.gz ZSKWXHYHHMOHMC-PWSUYJOCSA-N -1 1 265.328 3.087 20 0 CGADMM Cc1cc(-c2nc(=O)c3sccc3[n-]2)cc(C)c1F ZINC000675222744 543322797 /nfs/dbraw/zinc/32/27/97/543322797.db2.gz VZYXDDQXVAVQSC-UHFFFAOYSA-N -1 1 274.320 3.408 20 0 CGADMM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000675415219 543338093 /nfs/dbraw/zinc/33/80/93/543338093.db2.gz BMZPTQGGYLNHRH-OLZOCXBDSA-N -1 1 299.370 3.090 20 0 CGADMM Cn1cc(C(=O)Nc2c([O-])cccc2F)c2ccccc21 ZINC000678374796 543519044 /nfs/dbraw/zinc/51/90/44/543519044.db2.gz ZMOAVTWUXPFYKJ-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM CC1(C)c2ccccc2CCN1C(=O)c1cc(F)ccc1[O-] ZINC000678659232 543549078 /nfs/dbraw/zinc/54/90/78/543549078.db2.gz YNJWCLXIUXQMAF-UHFFFAOYSA-N -1 1 299.345 3.465 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)c(F)c1 ZINC000048653196 286908660 /nfs/dbraw/zinc/90/86/60/286908660.db2.gz QXNHHGFGCCWBQA-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000080923380 287068971 /nfs/dbraw/zinc/06/89/71/287068971.db2.gz ZINUIYFWMQBXNH-UHFFFAOYSA-N -1 1 279.336 3.189 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000080923333 287069031 /nfs/dbraw/zinc/06/90/31/287069031.db2.gz YWXFNCNBTFEYDI-UHFFFAOYSA-N -1 1 275.373 3.358 20 0 CGADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1cccc(F)c1 ZINC000078677223 165135647 /nfs/dbraw/zinc/13/56/47/165135647.db2.gz CVXQFYPBJDNYGA-UHFFFAOYSA-N -1 1 290.319 3.108 20 0 CGADMM Cc1ccc(Cl)cc1NC(=O)c1cncc([O-])c1 ZINC000082326374 165171588 /nfs/dbraw/zinc/17/15/88/165171588.db2.gz UCHHILYBDUJVPK-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM CCN(C(=O)c1ncccc1[O-])[C@@H](C)c1ccc(F)cc1 ZINC000123204747 287216817 /nfs/dbraw/zinc/21/68/17/287216817.db2.gz NCQHKGZUOOPUDV-NSHDSACASA-N -1 1 288.322 3.150 20 0 CGADMM O=C([O-])c1cccc(CN2CCc3sccc3C2)c1 ZINC000021014386 171289182 /nfs/dbraw/zinc/28/91/82/171289182.db2.gz MXOVJHBPJPSHCB-UHFFFAOYSA-N -1 1 273.357 3.005 20 0 CGADMM CCN(C(=O)c1ccc(Cl)cc1[O-])C1CCCC1 ZINC000035208236 172053823 /nfs/dbraw/zinc/05/38/23/172053823.db2.gz ISBYIGAFSKRTHK-UHFFFAOYSA-N -1 1 267.756 3.450 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cccc(Cl)c1 ZINC000078807043 177391130 /nfs/dbraw/zinc/39/11/30/177391130.db2.gz BYCDDQMUTJWDDO-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM C[C@H]1CN(Cc2ccc(F)cc2Cl)CC[C@H]1C(=O)[O-] ZINC000311433938 416531124 /nfs/dbraw/zinc/53/11/24/416531124.db2.gz GUHRSKBFDAJJLQ-JOYOIKCWSA-N -1 1 285.746 3.022 20 0 CGADMM CCN(C(=O)c1cc2ccccc2cc1[O-])[C@H]1CCCOC1 ZINC000402700894 416547824 /nfs/dbraw/zinc/54/78/24/416547824.db2.gz OTLRIPCWMINJMR-HNNXBMFYSA-N -1 1 299.370 3.187 20 0 CGADMM CC[C@H]1COC(C)(C)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000403803764 416549948 /nfs/dbraw/zinc/54/99/48/416549948.db2.gz IYBQFVYRGOOVMJ-NSHDSACASA-N -1 1 297.782 3.075 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(Cl)s1)CC2 ZINC000405409411 416558828 /nfs/dbraw/zinc/55/88/28/416558828.db2.gz WBUHOABBWAUHOQ-JTQLQIEISA-N -1 1 285.796 3.088 20 0 CGADMM C[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1F ZINC000679251285 543607892 /nfs/dbraw/zinc/60/78/92/543607892.db2.gz JGZPWZGLWHDLON-XHDPSFHLSA-N -1 1 287.334 3.366 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1=CCCCC1 ZINC000334749406 225272358 /nfs/dbraw/zinc/27/23/58/225272358.db2.gz JZQNXXXBONOLTK-UHFFFAOYSA-N -1 1 283.331 3.221 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1)c1ccc([O-])c(F)c1 ZINC000681014743 543756817 /nfs/dbraw/zinc/75/68/17/543756817.db2.gz JZNNKQGVMQQUEI-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM O=C(N[C@H](c1cccs1)C1CC1)c1ccc([O-])c(F)c1 ZINC000681014433 543756998 /nfs/dbraw/zinc/75/69/98/543756998.db2.gz MLTLVZPIHNNZHQ-AWEZNQCLSA-N -1 1 291.347 3.474 20 0 CGADMM CCN(C(=O)c1ccc([O-])c(F)c1)c1ccc(OC)cc1 ZINC000681019349 543757749 /nfs/dbraw/zinc/75/77/49/543757749.db2.gz XPXLPAQEQAHMAY-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM CCN(C(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000681019272 543757892 /nfs/dbraw/zinc/75/78/92/543757892.db2.gz VVBWTXFZDMGOKW-UHFFFAOYSA-N -1 1 259.280 3.198 20 0 CGADMM Cn1ccc2ccc(NC(=O)c3ccc([O-])c(F)c3)cc21 ZINC000681021266 543758655 /nfs/dbraw/zinc/75/86/55/543758655.db2.gz SCGKIHXYGLETKG-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM COc1ccc(NC(=O)c2ccc([O-])c(F)c2)c(C)c1 ZINC000681039142 543759390 /nfs/dbraw/zinc/75/93/90/543759390.db2.gz MIXLTKOXQZXXMR-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681046057 543760218 /nfs/dbraw/zinc/76/02/18/543760218.db2.gz FGQVPFFYDBCYHG-QLJPJBMISA-N -1 1 285.318 3.195 20 0 CGADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc([O-])c(F)c1 ZINC000681049816 543760346 /nfs/dbraw/zinc/76/03/46/543760346.db2.gz UFMDGUCEWHYRNX-WDEREUQCSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1cscc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681057650 543762264 /nfs/dbraw/zinc/76/22/64/543762264.db2.gz CTLISKXNWCDFJO-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM CC1(C)c2ccccc2CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681064336 543762332 /nfs/dbraw/zinc/76/23/32/543762332.db2.gz PDXUVDCGIWJCDJ-UHFFFAOYSA-N -1 1 299.345 3.465 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cc(C)ccn2)n1 ZINC000682852231 543873202 /nfs/dbraw/zinc/87/32/02/543873202.db2.gz LIWHCGMXMCYKDH-UHFFFAOYSA-N -1 1 275.377 3.130 20 0 CGADMM Cc1cc(C)cc(N(C)C(=O)c2cc(F)ccc2[O-])c1 ZINC000132885565 287412938 /nfs/dbraw/zinc/41/29/38/287412938.db2.gz IQEHYRIPVSDCOM-UHFFFAOYSA-N -1 1 273.307 3.425 20 0 CGADMM Cc1ccc(Cl)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000192668581 227263089 /nfs/dbraw/zinc/26/30/89/227263089.db2.gz ZQIFGVDCPZHIMY-UHFFFAOYSA-N -1 1 277.707 3.312 20 0 CGADMM O=C([O-])CC1(CN(Cc2ccco2)Cc2ccco2)CC1 ZINC000652376814 418960478 /nfs/dbraw/zinc/96/04/78/418960478.db2.gz HVVGFQIBWNSERE-UHFFFAOYSA-N -1 1 289.331 3.130 20 0 CGADMM C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000654308798 418960624 /nfs/dbraw/zinc/96/06/24/418960624.db2.gz AUMSPFMJNVGUIL-VHSXEESVSA-N -1 1 299.317 3.204 20 0 CGADMM CC(C)(C)C[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000654505053 418980567 /nfs/dbraw/zinc/98/05/67/418980567.db2.gz IPSRUMLWGZEKIE-LLVKDONJSA-N -1 1 279.355 3.430 20 0 CGADMM CC(C)[C@@H](C)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000666027832 419181376 /nfs/dbraw/zinc/18/13/76/419181376.db2.gz XUAGXBWBGONTNX-LLVKDONJSA-N -1 1 272.348 3.057 20 0 CGADMM COc1cccc(CN2CCC(CC(=O)[O-])CC2)c1Cl ZINC000656757310 419209731 /nfs/dbraw/zinc/20/97/31/419209731.db2.gz SNAAFIUAGVRTNS-UHFFFAOYSA-N -1 1 297.782 3.035 20 0 CGADMM CO[C@H](CSc1ncc(C)c(=O)[n-]1)C1CCCCC1 ZINC000657261909 419239431 /nfs/dbraw/zinc/23/94/31/419239431.db2.gz UFKYKSSFBRLUCJ-GFCCVEGCSA-N -1 1 282.409 3.178 20 0 CGADMM CCc1nc(SCc2cc(C3CC3)no2)[n-]c(=O)c1C ZINC000657264731 419239771 /nfs/dbraw/zinc/23/97/71/419239771.db2.gz ZDXIVHBDZLMEBT-UHFFFAOYSA-N -1 1 291.376 3.211 20 0 CGADMM O=C([O-])[C@H](CNc1ccnc2cc(F)ccc21)C1CCC1 ZINC000662902101 419507456 /nfs/dbraw/zinc/50/74/56/419507456.db2.gz MGFXAECCHPJBSU-CYBMUJFWSA-N -1 1 288.322 3.287 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccoc2)c1 ZINC000182922223 270054623 /nfs/dbraw/zinc/05/46/23/270054623.db2.gz TYMOSVPPEIHATD-UHFFFAOYSA-N -1 1 296.120 3.308 20 0 CGADMM Cc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000228839193 270087897 /nfs/dbraw/zinc/08/78/97/270087897.db2.gz MRINNARNDMSVFA-LLVKDONJSA-N -1 1 273.307 3.331 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2c([O-])cccc2F)[C@@H](C)C1 ZINC000228849599 270088025 /nfs/dbraw/zinc/08/80/25/270088025.db2.gz QNPWGFWQJNFHFJ-SCVCMEIPSA-N -1 1 265.328 3.086 20 0 CGADMM CC[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000228854212 270088101 /nfs/dbraw/zinc/08/81/01/270088101.db2.gz MJYXFRFHPQNIDF-GHMZBOCLSA-N -1 1 265.328 3.230 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc(F)cc3)no2)c(F)c1 ZINC000230225639 270088896 /nfs/dbraw/zinc/08/88/96/270088896.db2.gz PELQMPAYTNIHCW-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCCC12CC2 ZINC000527928097 270145061 /nfs/dbraw/zinc/14/50/61/270145061.db2.gz UKGWLXHCAUKTDG-CYBMUJFWSA-N -1 1 297.358 3.301 20 0 CGADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000528171549 270156263 /nfs/dbraw/zinc/15/62/63/270156263.db2.gz URQSDYDDDJXAAZ-NMSKTSORSA-N -1 1 292.310 3.108 20 0 CGADMM O=C(NCC[C@@H]1CC=CCC1)c1ccc([O-])c(F)c1 ZINC000529868884 270190429 /nfs/dbraw/zinc/19/04/29/270190429.db2.gz QZZZAHDFKRDBOF-LLVKDONJSA-N -1 1 263.312 3.008 20 0 CGADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])C1CCCCC1 ZINC000530039460 270193611 /nfs/dbraw/zinc/19/36/11/270193611.db2.gz OUXCGHYTABBHNG-GFCCVEGCSA-N -1 1 276.380 3.076 20 0 CGADMM CCc1ccc(C(C)(C)CNC(=O)c2cncc([O-])c2)cc1 ZINC000531191753 270204980 /nfs/dbraw/zinc/20/49/80/270204980.db2.gz XCBNIVUUFXHIIO-UHFFFAOYSA-N -1 1 298.386 3.057 20 0 CGADMM O=S(=O)([N-]C1CCCCCC1)c1cc2ccccc2o1 ZINC000531247280 270205596 /nfs/dbraw/zinc/20/55/96/270205596.db2.gz GQRGNHDZXQMTRW-UHFFFAOYSA-N -1 1 293.388 3.434 20 0 CGADMM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(F)cc1[O-] ZINC000532267128 270214825 /nfs/dbraw/zinc/21/48/25/270214825.db2.gz IIALVZFRABQEST-SNVBAGLBSA-N -1 1 291.297 3.488 20 0 CGADMM CC(C)c1cccc2c1CCN(C(=O)c1cncc([O-])c1)C2 ZINC000188273757 276060436 /nfs/dbraw/zinc/06/04/36/276060436.db2.gz UNIFYBOTMNKZII-UHFFFAOYSA-N -1 1 296.370 3.109 20 0 CGADMM COCCC(C)(C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000398286265 288042431 /nfs/dbraw/zinc/04/24/31/288042431.db2.gz BNTQVMBFBYHDST-UHFFFAOYSA-N -1 1 287.359 3.090 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCOc2ccccc21 ZINC000334934270 280018321 /nfs/dbraw/zinc/01/83/21/280018321.db2.gz WNXDAMKBTUPVOP-LBPRGKRZSA-N -1 1 287.290 3.036 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCSC[C@H]1C1CC1 ZINC000456163063 280183760 /nfs/dbraw/zinc/18/37/60/280183760.db2.gz AXWIQOOKPSBORX-LBPRGKRZSA-N -1 1 297.807 3.013 20 0 CGADMM CC[C@H](O)CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538532 288260172 /nfs/dbraw/zinc/26/01/72/288260172.db2.gz CTXQCRXPEZPKOJ-VIFPVBQESA-N -1 1 293.750 3.298 20 0 CGADMM CCC1(C(=O)Nc2cccc(F)c2[O-])CCCC1 ZINC000530006806 288282099 /nfs/dbraw/zinc/28/20/99/288282099.db2.gz VGEMPFHPUVWFIZ-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2cccc(F)c2[O-])C1(C)C ZINC000530007199 288282486 /nfs/dbraw/zinc/28/24/86/288282486.db2.gz ZZBWIVLTTDRMQM-NXEZZACHSA-N -1 1 293.338 3.111 20 0 CGADMM CC[C@]1(C)COCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436710279 281329055 /nfs/dbraw/zinc/32/90/55/281329055.db2.gz RQTCNQQCERUPJL-GOSISDBHSA-N -1 1 299.370 3.187 20 0 CGADMM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532881881 288372542 /nfs/dbraw/zinc/37/25/42/288372542.db2.gz VPHKKDZZWDXDAI-NEPJUHHUSA-N -1 1 294.395 3.220 20 0 CGADMM COc1cccnc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000539841475 288634785 /nfs/dbraw/zinc/63/47/85/288634785.db2.gz WYFNBMYHBWGWNW-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)C1=CCCCCC1 ZINC000559304620 289542755 /nfs/dbraw/zinc/54/27/55/289542755.db2.gz JETFYGXJMDHNMD-UHFFFAOYSA-N -1 1 287.388 3.389 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CCC(C)(C)C[C@@H]2C)s[n-]1 ZINC000337868274 294341809 /nfs/dbraw/zinc/34/18/09/294341809.db2.gz LZOJXSHPOIZDRY-HBNTYKKESA-N -1 1 283.441 3.294 20 0 CGADMM C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccccc2[O-])C1 ZINC000173739837 300230695 /nfs/dbraw/zinc/23/06/95/300230695.db2.gz SPDTVNYCEYSFSA-ZDUSSCGKSA-N -1 1 296.370 3.125 20 0 CGADMM CCOc1cccnc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153628778 321723644 /nfs/dbraw/zinc/72/36/44/321723644.db2.gz RHCWAHFDMRUFDY-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CC[C@@H]1C ZINC000153755126 321726196 /nfs/dbraw/zinc/72/61/96/321726196.db2.gz SEPXZFMNJPECHI-UWVGGRQHSA-N -1 1 267.756 3.164 20 0 CGADMM CCc1ccc(CN(C)Cc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000565104750 322060331 /nfs/dbraw/zinc/06/03/31/322060331.db2.gz PGJSTTKYQUFVGN-UHFFFAOYSA-N -1 1 287.359 3.481 20 0 CGADMM CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000565107995 322061209 /nfs/dbraw/zinc/06/12/09/322061209.db2.gz SWXDBYGLNBAZAU-KBPBESRZSA-N -1 1 295.379 3.206 20 0 CGADMM CCCC[C@@H](C(=O)[O-])N1CCC[C@H]1c1ccc(COC)o1 ZINC000565107995 322061212 /nfs/dbraw/zinc/06/12/12/322061212.db2.gz SWXDBYGLNBAZAU-KBPBESRZSA-N -1 1 295.379 3.206 20 0 CGADMM CN(Cc1ncccc1[O-])Cc1c(F)cccc1Cl ZINC000565330819 322073593 /nfs/dbraw/zinc/07/35/93/322073593.db2.gz YRECROTXJJCLNL-UHFFFAOYSA-N -1 1 280.730 3.212 20 0 CGADMM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000568059097 322189922 /nfs/dbraw/zinc/18/99/22/322189922.db2.gz UKZDYXVBBIIIKW-BZNIZROVSA-N -1 1 294.395 3.220 20 0 CGADMM O=C([O-])CCCCN(Cc1ccco1)Cc1ccco1 ZINC000568060985 322190618 /nfs/dbraw/zinc/19/06/18/322190618.db2.gz VURCDYCDIDLPKD-UHFFFAOYSA-N -1 1 277.320 3.130 20 0 CGADMM CC(C)CN(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000568061848 322190759 /nfs/dbraw/zinc/19/07/59/322190759.db2.gz UDPLYFXJCLKIMZ-UHFFFAOYSA-N -1 1 288.347 3.128 20 0 CGADMM O=C([O-])c1coc(CN(CCC(F)(F)F)CC2CC2)c1 ZINC000568639881 322216819 /nfs/dbraw/zinc/21/68/19/322216819.db2.gz VEMIKYKSRUVJPV-UHFFFAOYSA-N -1 1 291.269 3.142 20 0 CGADMM Cc1cc(F)ccc1CN(C)Cc1ccoc1C(=O)[O-] ZINC000570808153 322282786 /nfs/dbraw/zinc/28/27/86/322282786.db2.gz DRNAGHWHPULRSR-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccc(C)c2c[nH]nc21 ZINC000573281629 322379845 /nfs/dbraw/zinc/37/98/45/322379845.db2.gz FXDLSNPSBLEQGH-LLVKDONJSA-N -1 1 295.408 3.192 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccco2)s1 ZINC000582611397 329116322 /nfs/dbraw/zinc/11/63/22/329116322.db2.gz CMWCFSHZMNIHSG-LLVKDONJSA-N -1 1 277.345 3.376 20 0 CGADMM Cc1nc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)s1 ZINC000178851617 335454706 /nfs/dbraw/zinc/45/47/06/335454706.db2.gz KWLAQDNDGJSUBY-UHFFFAOYSA-N -1 1 282.752 3.371 20 0 CGADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccccc3)no2)c1 ZINC000350564547 335514446 /nfs/dbraw/zinc/51/44/46/335514446.db2.gz ATFFAZMAXXXDEE-UHFFFAOYSA-N -1 1 295.298 3.068 20 0 CGADMM C[C@@H]1[C@H](C)SCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC000381586196 336068913 /nfs/dbraw/zinc/06/89/13/336068913.db2.gz CQPKEBGJRPRJPO-ZJUUUORDSA-N -1 1 299.823 3.364 20 0 CGADMM C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381976470 336079262 /nfs/dbraw/zinc/07/92/62/336079262.db2.gz WDMFSDRTEWYGEP-NXEZZACHSA-N -1 1 267.756 3.269 20 0 CGADMM CCc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])co2)o1 ZINC000581493885 336089539 /nfs/dbraw/zinc/08/95/39/336089539.db2.gz NIKHMWVIKHYNNK-AWEZNQCLSA-N -1 1 289.331 3.470 20 0 CGADMM O=C(Nc1ccc2c(c1)CCCO2)c1cc(F)ccc1[O-] ZINC000383651552 336116252 /nfs/dbraw/zinc/11/62/52/336116252.db2.gz QBLDCECDFCNWJP-UHFFFAOYSA-N -1 1 287.290 3.109 20 0 CGADMM Cc1ccsc1CN(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000383747867 336117496 /nfs/dbraw/zinc/11/74/96/336117496.db2.gz PCZFNZLJGADGST-CQSZACIVSA-N -1 1 275.373 3.314 20 0 CGADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1c([O-])cccc1F ZINC000437001843 533728364 /nfs/dbraw/zinc/72/83/64/533728364.db2.gz PHRSRZJVAYJRNP-NXEZZACHSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccon1 ZINC000436972092 533750189 /nfs/dbraw/zinc/75/01/89/533750189.db2.gz MQBUAURLGWGMBP-JTQLQIEISA-N -1 1 282.299 3.024 20 0 CGADMM Cc1ccc2cc(CNCc3cc(C(=O)[O-])co3)ccc2n1 ZINC000426716695 534468558 /nfs/dbraw/zinc/46/85/58/534468558.db2.gz XFZSLSPTMOOITF-UHFFFAOYSA-N -1 1 296.326 3.124 20 0 CGADMM Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC000436750509 534745901 /nfs/dbraw/zinc/74/59/01/534745901.db2.gz GDULPKPWWSHFII-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM Cc1cccc(CNC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000055358981 524427787 /nfs/dbraw/zinc/42/77/87/524427787.db2.gz LUKVYHHZCMEFOH-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM O=C(NC1CC(c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000436509980 534788321 /nfs/dbraw/zinc/78/83/21/534788321.db2.gz CLIBQCINMSSKPC-UHFFFAOYSA-N -1 1 285.318 3.207 20 0 CGADMM C[C@@H](NC(=O)c1cncc([O-])c1)[C@@H](C)C1CCCCC1 ZINC000339918357 525372599 /nfs/dbraw/zinc/37/25/99/525372599.db2.gz ZXOPDZNOKSYPFN-VXGBXAGGSA-N -1 1 276.380 3.122 20 0 CGADMM C/C=C/c1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436744030 526300988 /nfs/dbraw/zinc/30/09/88/526300988.db2.gz IPJVZFKAILMJGM-NSCUHMNNSA-N -1 1 281.311 3.247 20 0 CGADMM CC1(C)C[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)CCO1 ZINC000413002998 527752737 /nfs/dbraw/zinc/75/27/37/527752737.db2.gz PEVFFGAWAFHHMW-SSDOTTSWSA-N -1 1 290.335 3.170 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccc(N(C)C)nc2)c([O-])c1 ZINC000436693503 528079677 /nfs/dbraw/zinc/07/96/77/528079677.db2.gz UUULNIXJZVFVLJ-UHFFFAOYSA-N -1 1 299.374 3.229 20 0 CGADMM CCCOc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000438769349 528761372 /nfs/dbraw/zinc/76/13/72/528761372.db2.gz BMBQJXSEJIMXFD-UHFFFAOYSA-N -1 1 299.326 3.002 20 0 CGADMM CCC[C@@H](C)C[C@@H](NCc1ccc(CC)o1)C(=O)[O-] ZINC000426815861 528881743 /nfs/dbraw/zinc/88/17/43/528881743.db2.gz MOTAXFSCTCHJGS-BXUZGUMPSA-N -1 1 267.369 3.211 20 0 CGADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(F)ccc2[O-])C1 ZINC000162870171 529233908 /nfs/dbraw/zinc/23/39/08/529233908.db2.gz OUZRHXQAZZBDOE-RYUDHWBXSA-N -1 1 297.395 3.278 20 0 CGADMM CC(=O)CCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730361818 572346116 /nfs/dbraw/zinc/34/61/16/572346116.db2.gz IDKKNEKRNHEPBV-UHFFFAOYSA-N -1 1 291.130 3.225 20 0 CGADMM CC(C)OC1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000730593745 572365415 /nfs/dbraw/zinc/36/54/15/572365415.db2.gz VMDQFOZLGMFILN-UHFFFAOYSA-N -1 1 297.782 3.075 20 0 CGADMM Cc1cc(CNC2(c3ccccc3)CC2)oc1C(=O)[O-] ZINC000738386830 572373214 /nfs/dbraw/zinc/37/32/14/572373214.db2.gz ASWKKBLALSXDAT-UHFFFAOYSA-N -1 1 271.316 3.065 20 0 CGADMM CC[C@@H](c1ccc(F)cc1F)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739278990 572407416 /nfs/dbraw/zinc/40/74/16/572407416.db2.gz PHUNYLQAJXZRTH-YGRLFVJLSA-N -1 1 298.333 3.005 20 0 CGADMM CC[C@H]([N-]C(=O)C(F)(F)F)C(C)(C)c1ccccc1 ZINC000741702988 572519428 /nfs/dbraw/zinc/51/94/28/572519428.db2.gz UQNVMQSPFSRVOJ-NSHDSACASA-N -1 1 273.298 3.421 20 0 CGADMM CS[C@@H]1CC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000743728656 572681185 /nfs/dbraw/zinc/68/11/85/572681185.db2.gz NSWPMBJVJDKDGT-DTWKUNHWSA-N -1 1 285.796 3.060 20 0 CGADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cccc(C)n2)cc1 ZINC000734975441 572693347 /nfs/dbraw/zinc/69/33/47/572693347.db2.gz FRUDOOVULUEGDE-KHPPLWFESA-N -1 1 288.372 3.111 20 0 CGADMM CC(C)CC(CC(C)C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000735760868 572740027 /nfs/dbraw/zinc/74/00/27/572740027.db2.gz ISOYQEWIXFCYKN-UHFFFAOYSA-N -1 1 288.399 3.134 20 0 CGADMM CC(C)CC(CC(C)C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000735760868 572740030 /nfs/dbraw/zinc/74/00/30/572740030.db2.gz ISOYQEWIXFCYKN-UHFFFAOYSA-N -1 1 288.399 3.134 20 0 CGADMM CN(CC1CCCC1)C(=O)c1c([O-])cccc1Cl ZINC000746397903 572869301 /nfs/dbraw/zinc/86/93/01/572869301.db2.gz SKMKABCIBDYYLW-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM C[C@H](C(=O)[N-]OCc1cccnc1)c1cccc(Cl)c1 ZINC000746946110 572901484 /nfs/dbraw/zinc/90/14/84/572901484.db2.gz QADUQLZJYDSIEB-NSHDSACASA-N -1 1 290.750 3.087 20 0 CGADMM Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1Cl ZINC000822254095 607308334 /nfs/dbraw/zinc/30/83/34/607308334.db2.gz ADRYNWFSHXVWIN-UHFFFAOYSA-N -1 1 289.726 3.034 20 0 CGADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1Cl ZINC000822254095 607308335 /nfs/dbraw/zinc/30/83/35/607308335.db2.gz ADRYNWFSHXVWIN-UHFFFAOYSA-N -1 1 289.726 3.034 20 0 CGADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1cccnc1Cl ZINC000820149042 598192489 /nfs/dbraw/zinc/19/24/89/598192489.db2.gz UOPSIIVIYPTLDD-JTQLQIEISA-N -1 1 290.750 3.284 20 0 CGADMM CCC[C@H](C)N(C)c1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821016377 599473418 /nfs/dbraw/zinc/47/34/18/599473418.db2.gz VLGSXUUQAHPBQA-NSHDSACASA-N -1 1 296.378 3.040 20 0 CGADMM CCC[C@H](C)N(C)c1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821016377 599473421 /nfs/dbraw/zinc/47/34/21/599473421.db2.gz VLGSXUUQAHPBQA-NSHDSACASA-N -1 1 296.378 3.040 20 0 CGADMM CN(Cc1c(Cl)cccc1Cl)C(C)(C)C(=O)[O-] ZINC000061173235 600136944 /nfs/dbraw/zinc/13/69/44/600136944.db2.gz DUKWYEFJWQFHFC-UHFFFAOYSA-N -1 1 276.163 3.288 20 0 CGADMM C/C(=C/CN1CCC[C@H]1c1ccc(F)c(F)c1)C(=O)[O-] ZINC000825741204 601167142 /nfs/dbraw/zinc/16/71/42/601167142.db2.gz JXJOSSREBZWNMN-APFBBLRHSA-N -1 1 281.302 3.133 20 0 CGADMM C[C@@H]1CN(Cc2c(Cl)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000235339957 601515343 /nfs/dbraw/zinc/51/53/43/601515343.db2.gz AITFSKLAUDSWMV-RKDXNWHRSA-N -1 1 288.174 3.146 20 0 CGADMM O=C([O-])c1ccc(CN2CCc3ccccc3C2)cc1F ZINC000236477519 601612831 /nfs/dbraw/zinc/61/28/31/601612831.db2.gz UBUPVCDKHXUBRH-UHFFFAOYSA-N -1 1 285.318 3.082 20 0 CGADMM O=C([O-])N1CC[C@@H](CN2CC[C@H]2c2ccc(Cl)cc2)C1 ZINC000831878772 604100122 /nfs/dbraw/zinc/10/01/22/604100122.db2.gz NNAIUCMIBNFMNY-FZMZJTMJSA-N -1 1 294.782 3.087 20 0 CGADMM Cc1cccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])co2)n1 ZINC000832967563 604367549 /nfs/dbraw/zinc/36/75/49/604367549.db2.gz HZJMSYYJGJLUAZ-HNNXBMFYSA-N -1 1 286.331 3.018 20 0 CGADMM Cc1ccoc1CNCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830615815 604413676 /nfs/dbraw/zinc/41/36/76/604413676.db2.gz CSOBLDSMZIAGMY-GFCCVEGCSA-N -1 1 288.347 3.206 20 0 CGADMM CC(C)(NCc1ccc(C(=O)[O-])o1)c1cccs1 ZINC000833460812 605093053 /nfs/dbraw/zinc/09/30/53/605093053.db2.gz KDEWFSDBVDZCCU-UHFFFAOYSA-N -1 1 265.334 3.064 20 0 CGADMM Cc1occc1CN[C@@H]1CCc2cc(NC(=O)[O-])ccc21 ZINC000833938764 605592414 /nfs/dbraw/zinc/59/24/14/605592414.db2.gz NIHDPEOSBSZQAU-OAHLLOKOSA-N -1 1 286.331 3.455 20 0 CGADMM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])o1 ZINC000833604044 605703907 /nfs/dbraw/zinc/70/39/07/605703907.db2.gz CLQUTGFCDLAIMN-IUCAKERBSA-N -1 1 291.269 3.141 20 0 CGADMM c1cc(-c2nnn[n-]2)oc1CNc1csc2ccccc12 ZINC000826523295 609445285 /nfs/dbraw/zinc/44/52/85/609445285.db2.gz IBYLXWQRGWWJHH-UHFFFAOYSA-N -1 1 297.343 3.287 20 0 CGADMM c1cc(-c2nn[n-]n2)oc1CNc1csc2ccccc12 ZINC000826523295 609445287 /nfs/dbraw/zinc/44/52/87/609445287.db2.gz IBYLXWQRGWWJHH-UHFFFAOYSA-N -1 1 297.343 3.287 20 0 CGADMM C[C@@H]1CCCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000899937039 620738747 /nfs/dbraw/zinc/73/87/47/620738747.db2.gz MBRFOSRIUVNIAV-SNVBAGLBSA-N -1 1 288.322 3.094 20 0 CGADMM C[C@@H](CCC(C)(C)C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900763188 620808267 /nfs/dbraw/zinc/80/82/67/620808267.db2.gz JBYGCYFLGLZXQH-JTQLQIEISA-N -1 1 291.395 3.004 20 0 CGADMM CS[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000075178365 618765869 /nfs/dbraw/zinc/76/58/69/618765869.db2.gz SLIAXJNPTDYGFR-ZJUUUORDSA-N -1 1 285.796 3.060 20 0 CGADMM Cc1oc(CN[C@@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC000236011548 618836075 /nfs/dbraw/zinc/83/60/75/618836075.db2.gz MOGXLEXFWJQAHW-OAHLLOKOSA-N -1 1 271.316 3.063 20 0 CGADMM CCCC[C@H](CC)C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000067071637 619325092 /nfs/dbraw/zinc/32/50/92/619325092.db2.gz WENFYMOCEXJNRI-NSHDSACASA-N -1 1 298.456 3.354 20 0 CGADMM CCN(C(=O)c1ccc(O)cc1[O-])c1ccc(C)cc1 ZINC000220984598 619740320 /nfs/dbraw/zinc/74/03/20/619740320.db2.gz QGUDOKLCZLUSHZ-UHFFFAOYSA-N -1 1 271.316 3.073 20 0 CGADMM CSc1ccc([O-])c(-c2nc(CCCCF)no2)c1 ZINC000897201627 620159756 /nfs/dbraw/zinc/15/97/56/620159756.db2.gz JRRGJTGFSDHRSS-UHFFFAOYSA-N -1 1 282.340 3.456 20 0 CGADMM C/C(=C\c1ccc(Cl)cc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000179234912 620374149 /nfs/dbraw/zinc/37/41/49/620374149.db2.gz FMYMYBLXSGFMBU-VNDWYCCKSA-N -1 1 295.766 3.318 20 0 CGADMM Cc1cnc(SC[C@H]2CCCC3(CCC3)O2)[n-]c1=O ZINC000901571292 620942664 /nfs/dbraw/zinc/94/26/64/620942664.db2.gz UFLZLQTZKFCIGD-LLVKDONJSA-N -1 1 280.393 3.075 20 0 CGADMM CO[C@H](CN[C@H](C(=O)[O-])c1cccs1)C1CCCCC1 ZINC000901597078 620947784 /nfs/dbraw/zinc/94/77/84/620947784.db2.gz FSKNAZGMKINNJQ-OCCSQVGLSA-N -1 1 297.420 3.059 20 0 CGADMM CCC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901618032 620954210 /nfs/dbraw/zinc/95/42/10/620954210.db2.gz BEEASLVWVTTZBB-JTQLQIEISA-N -1 1 288.372 3.309 20 0 CGADMM O=c1cc(-c2ccccc2)nc(S[C@H]2CCCOC2)[n-]1 ZINC000901618074 620954426 /nfs/dbraw/zinc/95/44/26/620954426.db2.gz CEVPOESYKOYGGZ-LBPRGKRZSA-N -1 1 288.372 3.120 20 0 CGADMM CCCOCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901616511 620954568 /nfs/dbraw/zinc/95/45/68/620954568.db2.gz NHXDIFIFQMFCTF-UHFFFAOYSA-N -1 1 276.361 3.325 20 0 CGADMM O=c1cc(-c2ccccc2)nc(SCOC2CCC2)[n-]1 ZINC000901616135 620954786 /nfs/dbraw/zinc/95/47/86/620954786.db2.gz LGBARVDOJWSLJH-UHFFFAOYSA-N -1 1 288.372 3.468 20 0 CGADMM CC(C)OCCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901620439 620963336 /nfs/dbraw/zinc/96/33/36/620963336.db2.gz UHIIKBZNTOYDIF-UHFFFAOYSA-N -1 1 290.388 3.366 20 0 CGADMM CCc1cccc2cc(CN(CC(=O)[O-])C3CC3)oc21 ZINC000901970989 621084086 /nfs/dbraw/zinc/08/40/86/621084086.db2.gz QNHFKARCVKXDPJ-UHFFFAOYSA-N -1 1 273.332 3.044 20 0 CGADMM CCOc1cccc([C@H](C)NCc2cc(C(=O)[O-])co2)c1 ZINC000902163945 621173632 /nfs/dbraw/zinc/17/36/32/621173632.db2.gz GUAZMONTMDSVHG-NSHDSACASA-N -1 1 289.331 3.227 20 0 CGADMM O=C([O-])c1coc(CN[C@H]2CCc3c2cccc3Cl)c1 ZINC000902177330 621175742 /nfs/dbraw/zinc/17/57/42/621175742.db2.gz YSXQZXCEXGAMRD-AWEZNQCLSA-N -1 1 291.734 3.408 20 0 CGADMM Cc1ccc2c(c1)CC[C@@H]2NCc1cc(C(=O)[O-])co1 ZINC000902172787 621184298 /nfs/dbraw/zinc/18/42/98/621184298.db2.gz DUBPJVRYPYHGAW-HNNXBMFYSA-N -1 1 271.316 3.063 20 0 CGADMM Cc1cccc([C@@H](C)NCc2cc(C(=O)[O-])co2)c1C ZINC000902267755 621232605 /nfs/dbraw/zinc/23/26/05/621232605.db2.gz CSWFGNACJOPNFU-GFCCVEGCSA-N -1 1 273.332 3.445 20 0 CGADMM O=C([O-])c1csc(CN[C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000902340644 621253814 /nfs/dbraw/zinc/25/38/14/621253814.db2.gz HOXZXELEJWELCY-ZFWWWQNUSA-N -1 1 291.347 3.173 20 0 CGADMM CSc1cc(C)ccc1CNCc1ccoc1C(=O)[O-] ZINC000902350449 621283923 /nfs/dbraw/zinc/28/39/23/621283923.db2.gz UZAFPKCRYKNWBY-UHFFFAOYSA-N -1 1 291.372 3.298 20 0 CGADMM O=C([O-])c1cc(CN2CC(Cc3ccsc3)C2)cs1 ZINC000902463344 621336718 /nfs/dbraw/zinc/33/67/18/621336718.db2.gz PIHGROOVJIFVTE-UHFFFAOYSA-N -1 1 293.413 3.182 20 0 CGADMM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1NCC(F)(F)C(C)(C)C ZINC000902470901 621341056 /nfs/dbraw/zinc/34/10/56/621341056.db2.gz TTZUJQIIOCCVCF-GMTAPVOTSA-N -1 1 277.355 3.147 20 0 CGADMM Cc1nc(CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)sc1C(C)(C)C ZINC000903908768 621831885 /nfs/dbraw/zinc/83/18/85/621831885.db2.gz AXKUTPWORNOTNJ-PHIMTYICSA-N -1 1 296.436 3.044 20 0 CGADMM Cc1cccc(C)c1C[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000905777173 622104705 /nfs/dbraw/zinc/10/47/05/622104705.db2.gz SOZKRYLNWVXAIH-UHFFFAOYSA-N -1 1 284.359 3.029 20 0 CGADMM Cc1cccc(C)c1CN(C)Cc1cccc(C(=O)[O-])n1 ZINC000905777173 622104707 /nfs/dbraw/zinc/10/47/07/622104707.db2.gz SOZKRYLNWVXAIH-UHFFFAOYSA-N -1 1 284.359 3.029 20 0 CGADMM CSCCCCCCNC(=O)c1ccc([O-])c(F)c1 ZINC000768448560 625539583 /nfs/dbraw/zinc/53/95/83/625539583.db2.gz MOCKPUMDSHAAKJ-UHFFFAOYSA-N -1 1 285.384 3.185 20 0 CGADMM CCCCC[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000013938684 622331439 /nfs/dbraw/zinc/33/14/39/622331439.db2.gz HZZILAGUXFQJND-JTQLQIEISA-N -1 1 291.363 3.212 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCc1ccc(C2CC2)cc1 ZINC000908372930 622346078 /nfs/dbraw/zinc/34/60/78/622346078.db2.gz UQDKLDTUUGFLTC-UHFFFAOYSA-N -1 1 299.374 3.263 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909985378 622441405 /nfs/dbraw/zinc/44/14/05/622441405.db2.gz JHYNYPBCSBPRQA-JGVFFNPUSA-N -1 1 255.264 3.045 20 0 CGADMM O=C(/C=C\C1CCCC1)Nc1cc([O-])c(F)cc1F ZINC000909987964 622444238 /nfs/dbraw/zinc/44/42/38/622444238.db2.gz PGKLOMLBSMDXGO-WAYWQWQTSA-N -1 1 267.275 3.355 20 0 CGADMM CCc1csc([C@H](C)NC(=O)c2cc(F)ccc2[O-])n1 ZINC000910728431 622499888 /nfs/dbraw/zinc/49/98/88/622499888.db2.gz DGBTUHCSZRIXPC-QMMMGPOBSA-N -1 1 294.351 3.041 20 0 CGADMM CC[C@H](OC1CCCC1)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910981167 622512121 /nfs/dbraw/zinc/51/21/21/622512121.db2.gz CVWOXJMCWIRTSF-ZDUSSCGKSA-N -1 1 299.317 3.347 20 0 CGADMM Cc1noc(C(C)C)c1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910979900 622512458 /nfs/dbraw/zinc/51/24/58/622512458.db2.gz NQRLYNGNOPNJPA-UHFFFAOYSA-N -1 1 296.273 3.343 20 0 CGADMM CCCCSCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910981806 622512494 /nfs/dbraw/zinc/51/24/94/622512494.db2.gz RSVDBYMFELUQGK-UHFFFAOYSA-N -1 1 275.320 3.142 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000910986078 622513270 /nfs/dbraw/zinc/51/32/70/622513270.db2.gz HMCFCFWSUQYHFU-IWSPIJDZSA-N -1 1 267.275 3.045 20 0 CGADMM CC1(C)CC[C@@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910987748 622513514 /nfs/dbraw/zinc/51/35/14/622513514.db2.gz VLXGVXGWOXTEGK-MRVPVSSYSA-N -1 1 255.264 3.045 20 0 CGADMM Cc1nn(C(C)C)cc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910988341 622514091 /nfs/dbraw/zinc/51/40/91/622514091.db2.gz ZXSFKYDFFMFIHO-UHFFFAOYSA-N -1 1 295.289 3.009 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@]12C[C@@H]1CCCC2 ZINC000910989940 622514387 /nfs/dbraw/zinc/51/43/87/622514387.db2.gz FKEHGUJTVQWKBX-RTHLEPHNSA-N -1 1 267.275 3.189 20 0 CGADMM O=C(NCc1cccc(F)c1)c1c([O-])cccc1Cl ZINC000057307845 622869149 /nfs/dbraw/zinc/86/91/49/622869149.db2.gz BQPKIKTXJLBWDZ-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM CCOc1ccc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000226600542 622983431 /nfs/dbraw/zinc/98/34/31/622983431.db2.gz IOPTXEAFNCQAEA-QMMMGPOBSA-N -1 1 293.260 3.163 20 0 CGADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1O ZINC000227686980 623027983 /nfs/dbraw/zinc/02/79/83/623027983.db2.gz YIIACRFJCSSOEF-UHFFFAOYSA-N -1 1 277.707 3.312 20 0 CGADMM Cc1c(=O)[n-]c(S[C@H](C)[C@@H](C)O)nc1-c1ccccc1 ZINC000917468121 624274567 /nfs/dbraw/zinc/27/45/67/624274567.db2.gz JCYKUWGPLWYRKM-GHMZBOCLSA-N -1 1 290.388 3.019 20 0 CGADMM CCOC(=O)CN(Cc1cccc(Cl)c1[O-])CC(C)C ZINC000179752104 624683096 /nfs/dbraw/zinc/68/30/96/624683096.db2.gz UETHCYODKRHFLU-UHFFFAOYSA-N -1 1 299.798 3.067 20 0 CGADMM Cc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1O ZINC000085204442 625802528 /nfs/dbraw/zinc/80/25/28/625802528.db2.gz KRECWJKDQOBOAS-UHFFFAOYSA-N -1 1 277.707 3.312 20 0 CGADMM C[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)C(C)(C)C ZINC000754028617 626472557 /nfs/dbraw/zinc/47/25/57/626472557.db2.gz YMNNCPYZRXTYOJ-LLVKDONJSA-N -1 1 295.404 3.393 20 0 CGADMM CCOc1cc(C(=O)NCCC2CCC2)cc(Cl)c1[O-] ZINC000762625596 627118064 /nfs/dbraw/zinc/11/80/64/627118064.db2.gz ZOYKMSVMIFDILH-UHFFFAOYSA-N -1 1 297.782 3.364 20 0 CGADMM CC(C)c1ccc(CCC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766762576 627358523 /nfs/dbraw/zinc/35/85/23/627358523.db2.gz MHUWIJIKHFKJJF-UHFFFAOYSA-N -1 1 289.297 3.353 20 0 CGADMM O=C(CCCc1ccc(Cl)cc1)[N-]OCC(F)(F)F ZINC000766768050 627359421 /nfs/dbraw/zinc/35/94/21/627359421.db2.gz JFRCGCDURYDGTF-UHFFFAOYSA-N -1 1 295.688 3.273 20 0 CGADMM CC(C)(C)c1cnc(COC(=O)c2ccc([O-])cc2F)o1 ZINC000773567518 627897313 /nfs/dbraw/zinc/89/73/13/627897313.db2.gz BIFJPIUDFZXHTC-UHFFFAOYSA-N -1 1 293.294 3.174 20 0 CGADMM CC(C)(C)c1csc(NC([O-])=NO[C@@H]2CCCCO2)n1 ZINC000775383745 628087983 /nfs/dbraw/zinc/08/79/83/628087983.db2.gz IDOFXUIAEOVYBG-SNVBAGLBSA-N -1 1 299.396 3.020 20 0 CGADMM CC(C)(C)c1csc(NC(=O)[N-]O[C@@H]2CCCCO2)n1 ZINC000775383745 628087985 /nfs/dbraw/zinc/08/79/85/628087985.db2.gz IDOFXUIAEOVYBG-SNVBAGLBSA-N -1 1 299.396 3.020 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H](F)Cc1ccccc1 ZINC000778404882 628349194 /nfs/dbraw/zinc/34/91/94/628349194.db2.gz VMAXCHCTSOAHPZ-GFCCVEGCSA-N -1 1 277.270 3.051 20 0 CGADMM O=C(Nc1ncccc1[O-])C(F)(F)c1cccc(Cl)c1 ZINC000783644344 628734710 /nfs/dbraw/zinc/73/47/10/628734710.db2.gz DBMPPOABQDJPHS-UHFFFAOYSA-N -1 1 298.676 3.171 20 0 CGADMM CCCCCCC(=O)COC(=O)c1ccc([O-])cc1F ZINC000784241496 628797729 /nfs/dbraw/zinc/79/77/29/628797729.db2.gz LRHNEBRXZDADRW-UHFFFAOYSA-N -1 1 282.311 3.228 20 0 CGADMM O=C([N-][C@@H]1C[C@H]1c1cccc2ccccc21)C(F)(F)F ZINC000797770789 629980796 /nfs/dbraw/zinc/98/07/96/629980796.db2.gz XAEJAYCBKDRXTJ-QWHCGFSZSA-N -1 1 279.261 3.374 20 0 CGADMM C=C/C(C)=C/CC(=O)Nc1nc(Br)ccc1[O-] ZINC000798176213 630030397 /nfs/dbraw/zinc/03/03/97/630030397.db2.gz UCKUWRQENDRRGE-XBXARRHUSA-N -1 1 297.152 3.011 20 0 CGADMM CC(C)(C)OCCCC(=O)Nc1ccc(F)cc1[O-] ZINC000802887460 630424611 /nfs/dbraw/zinc/42/46/11/630424611.db2.gz CEFQUXZCFZZZQI-UHFFFAOYSA-N -1 1 269.316 3.065 20 0 CGADMM CON(CC(C)(C)C)C(=O)c1cc(Cl)ccc1[O-] ZINC000804584711 630540627 /nfs/dbraw/zinc/54/06/27/630540627.db2.gz KUMLDYDQOZJVNU-UHFFFAOYSA-N -1 1 271.744 3.095 20 0 CGADMM Cc1nc(SCC[C@H](O)c2ccccc2)[n-]c(=O)c1C ZINC000806584300 630569019 /nfs/dbraw/zinc/56/90/19/630569019.db2.gz YCTYDAVSSBQMJX-ZDUSSCGKSA-N -1 1 290.388 3.015 20 0 CGADMM CN(CC(C)(C)C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876393195 634826755 /nfs/dbraw/zinc/82/67/55/634826755.db2.gz IIAORJRMLBEWNC-UHFFFAOYSA-N -1 1 284.787 3.233 20 0 CGADMM CCC=C(C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000810112106 630838950 /nfs/dbraw/zinc/83/89/50/630838950.db2.gz ZWAIVMRVJAFNRE-ONNFQVAWSA-N -1 1 271.320 3.077 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)cc1 ZINC000811835599 631125807 /nfs/dbraw/zinc/12/58/07/631125807.db2.gz DCACONSDGWQOEX-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C(F)=C1CCCC1 ZINC000837086872 634852073 /nfs/dbraw/zinc/85/20/73/634852073.db2.gz VEEVXHNJWRVILG-UHFFFAOYSA-N -1 1 271.238 3.407 20 0 CGADMM O=C(NC1(C(F)F)CCCC1)c1c([O-])cccc1Cl ZINC000813887854 631477872 /nfs/dbraw/zinc/47/78/72/631477872.db2.gz VOPICGJPYNIRII-UHFFFAOYSA-N -1 1 289.709 3.353 20 0 CGADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000822543191 632968472 /nfs/dbraw/zinc/96/84/72/632968472.db2.gz PLTKPMNHLDJEAA-KYXWUPHJSA-N -1 1 281.302 3.291 20 0 CGADMM O=S(=O)([N-][C@H]1CCCC12CC2)c1cc2ccccc2o1 ZINC000867580309 633253329 /nfs/dbraw/zinc/25/33/29/633253329.db2.gz ZAABHODLKJRQCB-ZDUSSCGKSA-N -1 1 291.372 3.044 20 0 CGADMM CO[C@H]1CC[C@H](C)N(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000870707203 633632105 /nfs/dbraw/zinc/63/21/05/633632105.db2.gz FZAPAQYGUCIYAC-WFASDCNBSA-N -1 1 299.370 3.185 20 0 CGADMM Cc1nc(C)c(CSc2nc(C(F)F)cc(=O)[n-]2)o1 ZINC000829609323 633754932 /nfs/dbraw/zinc/75/49/32/633754932.db2.gz FLMFLQGUHHDXBJ-UHFFFAOYSA-N -1 1 287.291 3.017 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cccc(Cl)n1 ZINC000830819451 633890747 /nfs/dbraw/zinc/89/07/47/633890747.db2.gz NBIKIIXIYYQIKA-UHFFFAOYSA-N -1 1 290.750 3.065 20 0 CGADMM C[C@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)CCS1 ZINC000834660049 634211171 /nfs/dbraw/zinc/21/11/71/634211171.db2.gz IFJLPVMTRFJWRG-DTWKUNHWSA-N -1 1 285.796 3.060 20 0 CGADMM O=C(NCCC1CCC1)NCc1ccc([O-])c(Cl)c1 ZINC000872936331 634222682 /nfs/dbraw/zinc/22/26/82/634222682.db2.gz XSTOOJSAKWFECU-UHFFFAOYSA-N -1 1 282.771 3.035 20 0 CGADMM COC1(C(=O)NCc2ccc([O-])c(Cl)c2)CCCCC1 ZINC000834824982 634247739 /nfs/dbraw/zinc/24/77/39/634247739.db2.gz FDCCYHFRSKNYEV-UHFFFAOYSA-N -1 1 297.782 3.011 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CCC(F)(F)C1 ZINC000834825483 634248986 /nfs/dbraw/zinc/24/89/86/634248986.db2.gz KYAZKRQNILTKJI-VIFPVBQESA-N -1 1 289.709 3.097 20 0 CGADMM CC1(C)CCC[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834826031 634249745 /nfs/dbraw/zinc/24/97/45/634249745.db2.gz QADQISLCTLNSFO-LLVKDONJSA-N -1 1 281.783 3.488 20 0 CGADMM Cc1ccc2c(c1)CCCN2C(=O)c1ccccc1[O-] ZINC000019838955 634273839 /nfs/dbraw/zinc/27/38/39/634273839.db2.gz RNAPJGZOKADCOJ-UHFFFAOYSA-N -1 1 267.328 3.294 20 0 CGADMM CCC(C)=C(C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000843767051 635777449 /nfs/dbraw/zinc/77/74/49/635777449.db2.gz XRXYXSXRHGGELH-ZHACJKMWSA-N -1 1 285.347 3.467 20 0 CGADMM CC(C)CO[N-]C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC000845859134 636109899 /nfs/dbraw/zinc/10/98/99/636109899.db2.gz JJOVAJLHZQBILG-SNVBAGLBSA-N -1 1 255.745 3.147 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](CF)C1 ZINC000881591239 636155470 /nfs/dbraw/zinc/15/54/70/636155470.db2.gz KRFLMMAEIAUTJN-GFCCVEGCSA-N -1 1 287.334 3.367 20 0 CGADMM Cc1ccc2c(c1)CCCN2C(=O)c1cc(F)ccc1[O-] ZINC000132864233 636843503 /nfs/dbraw/zinc/84/35/03/636843503.db2.gz FMKZKKCGFRJHDE-UHFFFAOYSA-N -1 1 285.318 3.433 20 0 CGADMM CCCCCCC(=O)CSc1ncc(C)c(=O)[n-]1 ZINC000849903364 636905059 /nfs/dbraw/zinc/90/50/59/636905059.db2.gz QDOIHKMIXFSKNB-UHFFFAOYSA-N -1 1 268.382 3.122 20 0 CGADMM CCc1nc(SCc2ncc(C(C)C)o2)[n-]c(=O)c1C ZINC000849921822 636909198 /nfs/dbraw/zinc/90/91/98/636909198.db2.gz WWDXJECTEZYFKN-UHFFFAOYSA-N -1 1 293.392 3.457 20 0 CGADMM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676467 637284086 /nfs/dbraw/zinc/28/40/86/637284086.db2.gz OJGPDQJFDAQIKM-VXNVDRBHSA-N -1 1 299.729 3.129 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1CCSCC1 ZINC000885676135 637284592 /nfs/dbraw/zinc/28/45/92/637284592.db2.gz JQPSJOBRYVWXQB-UHFFFAOYSA-N -1 1 289.759 3.266 20 0 CGADMM CSC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCC1 ZINC000885677804 637284608 /nfs/dbraw/zinc/28/46/08/637284608.db2.gz AHNKTZPNWMCHBB-UHFFFAOYSA-N -1 1 289.759 3.409 20 0 CGADMM CC(C)CO[C@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674390 637284647 /nfs/dbraw/zinc/28/46/47/637284647.db2.gz NRYRRTANMJYFIX-MRVPVSSYSA-N -1 1 289.734 3.184 20 0 CGADMM C[C@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)C=CCC1 ZINC000885682494 637286247 /nfs/dbraw/zinc/28/62/47/637286247.db2.gz QMUSDEMMYOLNMV-ZDUSSCGKSA-N -1 1 269.703 3.480 20 0 CGADMM O=C(NCC1CCC=CCC1)c1c(F)ccc([O-])c1F ZINC000886017804 637367302 /nfs/dbraw/zinc/36/73/02/637367302.db2.gz OMISYMXRBGEMKV-UHFFFAOYSA-N -1 1 281.302 3.147 20 0 CGADMM CCc1c(C)[n-]n(-c2cc(Cl)nc3ncccc23)c1=O ZINC000887295160 637791163 /nfs/dbraw/zinc/79/11/63/637791163.db2.gz YXDWKYMVAKPPBJ-VIFPVBQESA-N -1 1 288.738 3.032 20 0 CGADMM CCCSCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674206 638026463 /nfs/dbraw/zinc/02/64/63/638026463.db2.gz KHQZMUOXTNBTMM-UHFFFAOYSA-N -1 1 277.748 3.266 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCCCS1 ZINC000885675886 638036934 /nfs/dbraw/zinc/03/69/34/638036934.db2.gz DGZRFGBHWCUAMI-NSHDSACASA-N -1 1 289.759 3.409 20 0 CGADMM COC[C@@H](C)[C@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678904 638049021 /nfs/dbraw/zinc/04/90/21/638049021.db2.gz XIOKOKZIMVVSJC-SFYZADRCSA-N -1 1 289.734 3.042 20 0 CGADMM CCC(F)(F)C(=O)[N-][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000854845343 638110203 /nfs/dbraw/zinc/11/02/03/638110203.db2.gz CLRKIXOQWYOYTQ-QMMMGPOBSA-N -1 1 293.235 3.253 20 0 CGADMM C[C@@H]1CSCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000889914120 638133259 /nfs/dbraw/zinc/13/32/59/638133259.db2.gz XYJLBWVNNSPSCZ-SECBINFHSA-N -1 1 285.796 3.013 20 0 CGADMM O=c1nc(N2CCC[C@H]2C2CCCCC2)cc(Cl)[n-]1 ZINC000858355059 638690982 /nfs/dbraw/zinc/69/09/82/638690982.db2.gz MZJQEXZVDJYANA-NSHDSACASA-N -1 1 281.787 3.385 20 0 CGADMM C[C@@H]1CCCC[C@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858365043 638694283 /nfs/dbraw/zinc/69/42/83/638694283.db2.gz YAYLVSNBRWGVDV-BDAKNGLRSA-N -1 1 255.749 3.074 20 0 CGADMM C[C@@H]1CCC[C@@H](CCNc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858413762 638707600 /nfs/dbraw/zinc/70/76/00/638707600.db2.gz VYAPVUHPMAAMRF-ZJUUUORDSA-N -1 1 269.776 3.464 20 0 CGADMM CCC(CC)[C@H]1C[C@H](Nc2cc(Cl)[n-]c(=O)n2)CCO1 ZINC000858468541 638726562 /nfs/dbraw/zinc/72/65/62/638726562.db2.gz HOZNQKYDTNYCOS-GHMZBOCLSA-N -1 1 299.802 3.231 20 0 CGADMM C[C@H]1CC[C@H](C(F)(F)F)CN1c1cc(Cl)[n-]c(=O)n1 ZINC000858477770 638733739 /nfs/dbraw/zinc/73/37/39/638733739.db2.gz XUJKKOVVQKJUQH-BQBZGAKWSA-N -1 1 295.692 3.003 20 0 CGADMM C[C@H]1C[C@H](C(C)(C)C)CCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858548296 638759396 /nfs/dbraw/zinc/75/93/96/638759396.db2.gz STQFMHKZYFWPMR-VHSXEESVSA-N -1 1 283.803 3.487 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000927495039 638862777 /nfs/dbraw/zinc/86/27/77/638862777.db2.gz NLSQIYZLNSIXSV-YNEHKIRRSA-N -1 1 293.794 3.141 20 0 CGADMM N#Cc1ccc(C(=O)NC2CCCCCCC2)cc1[O-] ZINC000189779734 640206649 /nfs/dbraw/zinc/20/66/49/640206649.db2.gz LBLLWKLYQZSISM-UHFFFAOYSA-N -1 1 272.348 3.107 20 0 CGADMM Cc1cc(F)c(C(=O)Nc2nc(Cl)ccc2[O-])cc1F ZINC000193195344 640440699 /nfs/dbraw/zinc/44/06/99/640440699.db2.gz RKTHVSVJDGRVFY-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM COc1cc(Nc2ccc3cncn3c2)ccc1[S-] ZINC001250335776 805580841 /nfs/dbraw/zinc/58/08/41/805580841.db2.gz PLTBFLKBSQPDRY-UHFFFAOYSA-N -1 1 271.345 3.375 20 0 CGADMM [O-]c1cc(F)c(-c2ccnc3ccncc32)c(F)c1 ZINC001250503154 805660677 /nfs/dbraw/zinc/66/06/77/805660677.db2.gz WQXYMUMELZITHV-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cccs3)cc2[n-]1 ZINC001250549374 805688108 /nfs/dbraw/zinc/68/81/08/805688108.db2.gz BFRGSIBDCWJJQN-UHFFFAOYSA-N -1 1 272.329 3.468 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cccs3)ccc2[n-]1 ZINC001250549374 805688112 /nfs/dbraw/zinc/68/81/12/805688112.db2.gz BFRGSIBDCWJJQN-UHFFFAOYSA-N -1 1 272.329 3.468 20 0 CGADMM [O-]c1ccc(-c2ccc3c(c2)OCCO3)c(F)c1F ZINC001250625964 805735033 /nfs/dbraw/zinc/73/50/33/805735033.db2.gz MUABWZRBCLLESG-UHFFFAOYSA-N -1 1 264.227 3.109 20 0 CGADMM COc1cc2[nH]c(-c3ccc(C(=O)[O-])o3)nc2cc1Cl ZINC001250923657 805801421 /nfs/dbraw/zinc/80/14/21/805801421.db2.gz XUQPHQAJHXCENV-UHFFFAOYSA-N -1 1 292.678 3.183 20 0 CGADMM [O-]c1cc(F)c(F)cc1-c1nc2cc(F)ccc2[nH]1 ZINC001250967613 805812754 /nfs/dbraw/zinc/81/27/54/805812754.db2.gz XIKQEHCSUQLKDC-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM COc1cc2nc(-c3ccc(C(=O)[O-])s3)[nH]c2cc1F ZINC001251014795 805830013 /nfs/dbraw/zinc/83/00/13/805830013.db2.gz JYUAUTWNMAEZNL-UHFFFAOYSA-N -1 1 292.291 3.137 20 0 CGADMM Cn1c2ccc(F)cc2nc1-c1cc(Cl)c([O-])cc1O ZINC001251082163 805844550 /nfs/dbraw/zinc/84/45/50/805844550.db2.gz CMNRAPBDXCMLIV-UHFFFAOYSA-N -1 1 292.697 3.444 20 0 CGADMM COc1ccc2nc(-c3ccc(F)c([O-])c3)n(C)c2c1 ZINC001251477581 805900047 /nfs/dbraw/zinc/90/00/47/805900047.db2.gz QGAMPHYASIESPF-UHFFFAOYSA-N -1 1 272.279 3.094 20 0 CGADMM CC[C@@H](CC(=O)Nc1nc(Cl)ccc1[O-])C(C)C ZINC001161178946 806355697 /nfs/dbraw/zinc/35/56/97/806355697.db2.gz GCYKJFWCRUUCTB-VIFPVBQESA-N -1 1 270.760 3.451 20 0 CGADMM [O-]c1ccc(-c2nnc(C3CCC3)o2)c(Br)c1 ZINC001255252152 806584138 /nfs/dbraw/zinc/58/41/38/806584138.db2.gz GKGPKEMUSHHFJJ-UHFFFAOYSA-N -1 1 295.136 3.472 20 0 CGADMM Cc1cccc(-c2noc(-c3ccncc3[O-])n2)c1C ZINC000405093969 799581786 /nfs/dbraw/zinc/58/17/86/799581786.db2.gz WBMYBYIXOVQGFP-UHFFFAOYSA-N -1 1 267.288 3.121 20 0 CGADMM [O-]c1ccc(-c2noc(COC3CCCCC3)n2)c(F)c1 ZINC000445460233 799618682 /nfs/dbraw/zinc/61/86/82/799618682.db2.gz OYWFHKSMMXLQJR-UHFFFAOYSA-N -1 1 292.310 3.431 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(F)c(Cl)c2)[n-]1 ZINC000701212735 799884856 /nfs/dbraw/zinc/88/48/56/799884856.db2.gz FVGCVCNLRBFPNV-UHFFFAOYSA-N -1 1 254.692 3.323 20 0 CGADMM CCN(Cc1ccoc1)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701811421 799895256 /nfs/dbraw/zinc/89/52/56/799895256.db2.gz MYRNCTDGXJNAFT-UHFFFAOYSA-N -1 1 273.332 3.308 20 0 CGADMM C[C@H](c1cccs1)N(C)Cc1cncc(C(=O)[O-])c1 ZINC000721618726 800298267 /nfs/dbraw/zinc/29/82/67/800298267.db2.gz BBYCPAGVZVBASA-SNVBAGLBSA-N -1 1 276.361 3.034 20 0 CGADMM CCC[C@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744769990 800377233 /nfs/dbraw/zinc/37/72/33/800377233.db2.gz PRUJYRXMCXTYDH-NSHDSACASA-N -1 1 278.348 3.117 20 0 CGADMM CC(C)Cc1nnc(-c2ccc3cccnc3c2[O-])o1 ZINC001256413286 806888591 /nfs/dbraw/zinc/88/85/91/806888591.db2.gz WWZVCELUQVVBEX-UHFFFAOYSA-N -1 1 269.304 3.189 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H]2CC3(CCC3)CO2)n1 ZINC001164550944 806955344 /nfs/dbraw/zinc/95/53/44/806955344.db2.gz BQFNLSGOOQFSDS-LBPRGKRZSA-N -1 1 294.420 3.186 20 0 CGADMM O=C(Nc1ccccc1NC1CCC1)c1ccc([O-])cn1 ZINC001164565032 806956791 /nfs/dbraw/zinc/95/67/91/806956791.db2.gz JNDXIEPESAXMDC-UHFFFAOYSA-N -1 1 283.331 3.004 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1cc(F)ccc1F ZINC001164565520 806956909 /nfs/dbraw/zinc/95/69/09/806956909.db2.gz ZPLLRGLOBYVLIO-UHFFFAOYSA-N -1 1 280.299 3.334 20 0 CGADMM C[C@@H]1C[C@@H]1c1nnc(-c2cccc([O-])c2Cl)o1 ZINC001256751253 806971585 /nfs/dbraw/zinc/97/15/85/806971585.db2.gz YDCNFXGGFKVUJX-SVRRBLITSA-N -1 1 250.685 3.219 20 0 CGADMM C[C@H]1C[C@@H]1c1nnc(-c2cccc([O-])c2Cl)o1 ZINC001256751259 806972446 /nfs/dbraw/zinc/97/24/46/806972446.db2.gz YDCNFXGGFKVUJX-XPUUQOCRSA-N -1 1 250.685 3.219 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)[C@@H]1C[C@H]1C1CC1 ZINC001116899498 802426337 /nfs/dbraw/zinc/42/63/37/802426337.db2.gz HZKFQSVDRMZUTG-VHSXEESVSA-N -1 1 296.164 3.139 20 0 CGADMM [O-]c1cccc(Cl)c1-c1ccc(Cn2ccnc2)cn1 ZINC001244035892 803154094 /nfs/dbraw/zinc/15/40/94/803154094.db2.gz GLVXUFSUYFTTST-UHFFFAOYSA-N -1 1 285.734 3.352 20 0 CGADMM O=C1CCCN1c1ccc(-c2cc(F)c([O-])c(F)c2)cc1 ZINC001244094401 803182877 /nfs/dbraw/zinc/18/28/77/803182877.db2.gz QLPCZQFXINNVET-UHFFFAOYSA-N -1 1 289.281 3.464 20 0 CGADMM Cn1cnc2ccc(-c3cc(F)c([O-])c(F)c3)cc21 ZINC001244096015 803183506 /nfs/dbraw/zinc/18/35/06/803183506.db2.gz HLBFXNXSYPGDPV-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CC(C)n1ccc(-c2cc(F)c([O-])c(F)c2)cc1=O ZINC001244096435 803183841 /nfs/dbraw/zinc/18/38/41/803183841.db2.gz JBYKDXJMHQDUIK-UHFFFAOYSA-N -1 1 265.259 3.080 20 0 CGADMM CN(C)C(=O)c1cccc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244097771 803185518 /nfs/dbraw/zinc/18/55/18/803185518.db2.gz ZCGPHIXJUIXMFC-UHFFFAOYSA-N -1 1 277.270 3.039 20 0 CGADMM Cc1cc2c(c(-c3cccc(C4CC4)c3C)n1)C(=O)[N-]C2=O ZINC001244132050 803201694 /nfs/dbraw/zinc/20/16/94/803201694.db2.gz HISPBRZXQICAAE-UHFFFAOYSA-N -1 1 292.338 3.126 20 0 CGADMM Cc1c(-c2ccc(-c3nnn[n-]3)nc2)cccc1C1CC1 ZINC001244132884 803202630 /nfs/dbraw/zinc/20/26/30/803202630.db2.gz QBSOIIQMZCZQPP-UHFFFAOYSA-N -1 1 277.331 3.115 20 0 CGADMM Cc1c(-c2ccc(-c3nn[n-]n3)nc2)cccc1C1CC1 ZINC001244132884 803202636 /nfs/dbraw/zinc/20/26/36/803202636.db2.gz QBSOIIQMZCZQPP-UHFFFAOYSA-N -1 1 277.331 3.115 20 0 CGADMM COc1nc(-c2ccccc2)nc(-c2cc(C)ccc2[O-])n1 ZINC001244403431 803352042 /nfs/dbraw/zinc/35/20/42/803352042.db2.gz WDGCVZVOFVMGNH-UHFFFAOYSA-N -1 1 293.326 3.228 20 0 CGADMM Cc1nccnc1-c1ccc(OC(F)(F)F)cc1[O-] ZINC001244464606 803380712 /nfs/dbraw/zinc/38/07/12/803380712.db2.gz URYHCEDNXSKTBY-UHFFFAOYSA-N -1 1 270.210 3.056 20 0 CGADMM COc1cc(OC)nc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244539397 803426531 /nfs/dbraw/zinc/42/65/31/803426531.db2.gz ZSRHJIBEKUCPNG-UHFFFAOYSA-N -1 1 283.686 3.264 20 0 CGADMM CCN(C)c1cc(C)nc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244538814 803426766 /nfs/dbraw/zinc/42/67/66/803426766.db2.gz SLSGXGAZNQCHLN-UHFFFAOYSA-N -1 1 295.745 3.406 20 0 CGADMM Cn1ccc2c1ncnc2-c1c(Cl)ccc([O-])c1F ZINC001244538428 803427275 /nfs/dbraw/zinc/42/72/75/803427275.db2.gz NCGVBCXCHRHREL-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM COc1cncc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244540950 803427965 /nfs/dbraw/zinc/42/79/65/803427965.db2.gz KZHNYONSYWRZKC-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM C=Cc1ncc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244540994 803428119 /nfs/dbraw/zinc/42/81/19/803428119.db2.gz LFYRKEFZIVGERP-UHFFFAOYSA-N -1 1 250.660 3.285 20 0 CGADMM Cc1noc2ncnc(-c3c(Cl)ccc([O-])c3F)c12 ZINC001244540003 803428574 /nfs/dbraw/zinc/42/85/74/803428574.db2.gz DPUAPPBZBPKXIJ-UHFFFAOYSA-N -1 1 279.658 3.091 20 0 CGADMM O=C([O-])c1cnc(F)c(-c2cccc(C3=NCCC3)c2)c1 ZINC001244763227 803523561 /nfs/dbraw/zinc/52/35/61/803523561.db2.gz XXQJHASRIGYNCF-UHFFFAOYSA-N -1 1 284.290 3.169 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1ncnc2c1CCCC2 ZINC001245049022 803621411 /nfs/dbraw/zinc/62/14/11/803621411.db2.gz KDCIIKAQIGHXSD-UHFFFAOYSA-N -1 1 260.724 3.381 20 0 CGADMM CCOC(=O)c1ccnc(-c2cc(Cl)ccc2[O-])c1 ZINC001245051470 803622989 /nfs/dbraw/zinc/62/29/89/803622989.db2.gz JHJJFBHYGFIMIV-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1cc(O[C@@H]2CCOC2)ccn1 ZINC001245052825 803624175 /nfs/dbraw/zinc/62/41/75/803624175.db2.gz NYGYJMHNHLKLLF-GFCCVEGCSA-N -1 1 291.734 3.275 20 0 CGADMM Cc1c(C(=O)[O-])cccc1-c1cc(N2CCCC2)ccn1 ZINC001245300083 803694905 /nfs/dbraw/zinc/69/49/05/803694905.db2.gz KMOLKPIWZQGPNV-UHFFFAOYSA-N -1 1 282.343 3.355 20 0 CGADMM Cc1c(C(=O)[O-])cccc1-c1cccc2cncn21 ZINC001245300513 803695536 /nfs/dbraw/zinc/69/55/36/803695536.db2.gz OAAXJMAQRPYEBC-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2[nH]ccc2n1 ZINC001138014999 803824614 /nfs/dbraw/zinc/82/46/14/803824614.db2.gz LZZCAKQFUZJPGO-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM CC(C)Oc1cc(-c2c(F)ccc([O-])c2Cl)ncn1 ZINC001245826925 803980540 /nfs/dbraw/zinc/98/05/40/803980540.db2.gz IISRKZFNAKPWCA-UHFFFAOYSA-N -1 1 282.702 3.429 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc3[nH]ccc3n2)c1Cl ZINC001245825487 803980878 /nfs/dbraw/zinc/98/08/78/803980878.db2.gz ARPSQTLJIRVAQM-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM Cc1ncc(F)c(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245828692 803982311 /nfs/dbraw/zinc/98/23/11/803982311.db2.gz ZNKOZLHFQICHOX-UHFFFAOYSA-N -1 1 256.639 3.089 20 0 CGADMM CCOC(=O)c1ccnc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245828260 803982717 /nfs/dbraw/zinc/98/27/17/803982717.db2.gz RMKDWBFKPGROBA-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM Cc1nc2c(c(-c3c(F)ccc([O-])c3Cl)n1)CCC2 ZINC001245829723 803984977 /nfs/dbraw/zinc/98/49/77/803984977.db2.gz AGLCKZIZKSSAHB-UHFFFAOYSA-N -1 1 278.714 3.439 20 0 CGADMM Cc1nc2[nH]cnc2cc1-c1c(F)ccc([O-])c1Cl ZINC001245832226 803985867 /nfs/dbraw/zinc/98/58/67/803985867.db2.gz OFHNZOFNDVSARA-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM COC(=O)c1cncc(-c2c(F)ccc([O-])c2Cl)c1C ZINC001245835647 803987962 /nfs/dbraw/zinc/98/79/62/803987962.db2.gz VOBOVRZIMXOXNY-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM O=C1Cc2cc(F)c(-c3c(F)ccc([O-])c3Cl)cc2N1 ZINC001245833017 803988003 /nfs/dbraw/zinc/98/80/03/803988003.db2.gz WWUNTVICLUAOSU-UHFFFAOYSA-N -1 1 295.672 3.485 20 0 CGADMM [O-]c1ccc(F)c(-c2cc(F)cn3ncnc23)c1Cl ZINC001245835302 803988357 /nfs/dbraw/zinc/98/83/57/803988357.db2.gz OPYNLQOAPCIKAF-UHFFFAOYSA-N -1 1 281.649 3.034 20 0 CGADMM CCCc1cc(=O)n(-c2ccc3ncccc3c2)[n-]1 ZINC001245926073 804055450 /nfs/dbraw/zinc/05/54/50/804055450.db2.gz YUWPHRDFKIAQTM-UHFFFAOYSA-N -1 1 253.305 3.079 20 0 CGADMM Cc1cc(=O)n(-c2ccc(F)c(C(F)(F)F)c2)[n-]1 ZINC001245927732 804056760 /nfs/dbraw/zinc/05/67/60/804056760.db2.gz FNHXEDVJMPFLIK-UHFFFAOYSA-N -1 1 260.190 3.044 20 0 CGADMM COc1ccc(C(=S)n2[n-]c(CC(C)C)cc2=O)cc1 ZINC001245933302 804062849 /nfs/dbraw/zinc/06/28/49/804062849.db2.gz RQWGASQLZDTUJZ-UHFFFAOYSA-N -1 1 290.388 3.020 20 0 CGADMM O=c1cc(Nc2ccc(F)c(Br)c2[O-])cc[nH]1 ZINC001212280251 815001196 /nfs/dbraw/zinc/00/11/96/815001196.db2.gz RIYIEWPMKDOONA-UHFFFAOYSA-N -1 1 299.099 3.138 20 0 CGADMM O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc([O-])cn1 ZINC001140102336 804378114 /nfs/dbraw/zinc/37/81/14/804378114.db2.gz HWNICBDCYZGUMZ-CABCVRRESA-N -1 1 296.370 3.243 20 0 CGADMM Cc1ccc(F)c(CC(=O)Nc2c([O-])cccc2F)c1 ZINC001165751969 807017946 /nfs/dbraw/zinc/01/79/46/807017946.db2.gz UBOSRHABJPKNHY-UHFFFAOYSA-N -1 1 277.270 3.160 20 0 CGADMM CC[C@H]1CCC[C@@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001140982315 804561749 /nfs/dbraw/zinc/56/17/49/804561749.db2.gz UYANOSYBVNTESU-CMPLNLGQSA-N -1 1 265.328 3.087 20 0 CGADMM CCCC[C@H](C)N(C)C(=O)c1cccc([O-])c1F ZINC001141765881 804668667 /nfs/dbraw/zinc/66/86/67/804668667.db2.gz VFLREJRXVVBIFW-JTQLQIEISA-N -1 1 253.317 3.182 20 0 CGADMM CCC[C@@H](NC(=O)c1ccc(F)c([O-])c1)C1CCC1 ZINC001142033216 804690613 /nfs/dbraw/zinc/69/06/13/804690613.db2.gz CLUYYDOKPCFAHK-CYBMUJFWSA-N -1 1 265.328 3.230 20 0 CGADMM Oc1cc(Cl)c(C[N@H+]2CCC[C@H](O)CC2)c(Cl)c1 ZINC001142105727 804695267 /nfs/dbraw/zinc/69/52/67/804695267.db2.gz KZNPBUAZIGMWNJ-VIFPVBQESA-N -1 1 290.190 3.046 20 0 CGADMM CC(C)N(Cc1ccco1)C(=O)c1cccc([O-])c1F ZINC001142520206 804729890 /nfs/dbraw/zinc/72/98/90/804729890.db2.gz IWOATCRTJVVNCZ-UHFFFAOYSA-N -1 1 277.295 3.175 20 0 CGADMM [O-]c1cnccc1-c1nnc(CCC2CCCCC2)o1 ZINC001256837004 806989777 /nfs/dbraw/zinc/98/97/77/806989777.db2.gz ZJEWPPGIFPRCLG-UHFFFAOYSA-N -1 1 273.336 3.350 20 0 CGADMM Cc1ccc(-c2noc(-c3ncccc3[O-])n2)c(Cl)c1 ZINC001212480982 815036633 /nfs/dbraw/zinc/03/66/33/815036633.db2.gz SSMQGSPOAUOGDE-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM Cc1cccc(C2(NC(=O)c3ncccc3[O-])CCCC2)c1 ZINC001143616489 804877982 /nfs/dbraw/zinc/87/79/82/804877982.db2.gz WOLUFDYDNVZLJD-UHFFFAOYSA-N -1 1 296.370 3.295 20 0 CGADMM O=C([O-])c1ccc(Nc2ccc3nccn3c2)c(F)c1F ZINC001212511241 815044400 /nfs/dbraw/zinc/04/44/00/815044400.db2.gz YQHVTCCNEDICKZ-UHFFFAOYSA-N -1 1 289.241 3.054 20 0 CGADMM CCN(Cc1ccccn1)Cc1c(F)cc([O-])cc1F ZINC001144558712 805005527 /nfs/dbraw/zinc/00/55/27/805005527.db2.gz AXRFWBFAOZIHFC-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM O=C([O-])c1ccsc1CN1CCc2c(F)cccc2C1 ZINC001144679502 805033607 /nfs/dbraw/zinc/03/36/07/805033607.db2.gz DXNZIOSLZTXPKZ-UHFFFAOYSA-N -1 1 291.347 3.144 20 0 CGADMM C[C@H]1CCCC[C@H]1CCNC(=O)c1c([O-])cccc1F ZINC001146710001 805083211 /nfs/dbraw/zinc/08/32/11/805083211.db2.gz LNWKNXIVPQYVEU-RYUDHWBXSA-N -1 1 279.355 3.478 20 0 CGADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccccc3)cc2)[n-]1 ZINC001148326923 805175795 /nfs/dbraw/zinc/17/57/95/805175795.db2.gz ZDCYYBPMPHPDCW-UHFFFAOYSA-N -1 1 293.326 3.052 20 0 CGADMM Cc1c(N)c(F)ccc1Nc1cc(F)c([O-])cc1F ZINC001249642600 805198479 /nfs/dbraw/zinc/19/84/79/805198479.db2.gz SPSJHMQCRKLWLC-UHFFFAOYSA-N -1 1 268.238 3.444 20 0 CGADMM O=C(NCc1cc[nH]c1)c1cccc(-c2ccccc2)c1[O-] ZINC001148873329 805214287 /nfs/dbraw/zinc/21/42/87/805214287.db2.gz TYCRNXDVQAOCFF-UHFFFAOYSA-N -1 1 292.338 3.317 20 0 CGADMM CC(C)N(CC1CC1)C(=O)c1ccc2cccnc2c1[O-] ZINC001149319776 805228342 /nfs/dbraw/zinc/22/83/42/805228342.db2.gz FTBWFKRRKOQVTQ-UHFFFAOYSA-N -1 1 284.359 3.201 20 0 CGADMM Cc1nc(Cl)ncc1Nc1cc([O-])c(F)c(F)c1F ZINC001249958841 805327621 /nfs/dbraw/zinc/32/76/21/805327621.db2.gz QFOXFWKQPJORMJ-UHFFFAOYSA-N -1 1 289.644 3.305 20 0 CGADMM [O-]c1cc(Nc2cccn3nccc23)c(F)c(F)c1F ZINC001249961058 805329299 /nfs/dbraw/zinc/32/92/99/805329299.db2.gz DILCTQXVKLJGBI-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1c(O)cccc1F ZINC001249991370 805350105 /nfs/dbraw/zinc/35/01/05/805350105.db2.gz WRSNQTIMXWCMDX-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM Cc1cccc(C)c1NC(=O)Cc1cc(F)c([O-])c(F)c1 ZINC001250007745 805362099 /nfs/dbraw/zinc/36/20/99/805362099.db2.gz JDXFUVUJBLMOHU-UHFFFAOYSA-N -1 1 291.297 3.468 20 0 CGADMM COC(=O)c1ccc(-c2ccc([N-]c3nnco3)cc2)cc1 ZINC001250017259 805370230 /nfs/dbraw/zinc/37/02/30/805370230.db2.gz XNEGOCPCMKHARO-UHFFFAOYSA-N -1 1 295.298 3.267 20 0 CGADMM COc1ncccc1Nc1cc(Cl)c([O-])cc1F ZINC001250018031 805370739 /nfs/dbraw/zinc/37/07/39/805370739.db2.gz MHNOPUWNQUMFFZ-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM [O-]c1cc(F)c(Nc2cn(CCF)cn2)cc1Cl ZINC001250023112 805372953 /nfs/dbraw/zinc/37/29/53/805372953.db2.gz CQTGPMFFUYVFAX-UHFFFAOYSA-N -1 1 273.670 3.094 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(O)cc2O)cc1Cl ZINC001250021978 805373603 /nfs/dbraw/zinc/37/36/03/805373603.db2.gz AWDBAMFAQQUCFD-UHFFFAOYSA-N -1 1 269.659 3.340 20 0 CGADMM Cc1nnc2cc(Nc3cc(Cl)c([O-])cc3F)ccn12 ZINC001250023289 805373962 /nfs/dbraw/zinc/37/39/62/805373962.db2.gz HCLMOXNIPYFYDA-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM Cc1cc(N)cc2cnn(-c3cc(Cl)c([O-])cc3F)c21 ZINC001250026045 805376790 /nfs/dbraw/zinc/37/67/90/805376790.db2.gz LUHHERRTPFUGBG-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM C[C@H](NC(=O)c1c([O-])ccc2ccccc21)C1CC1 ZINC001153503649 805400280 /nfs/dbraw/zinc/40/02/80/805400280.db2.gz CWPMTWVNJQQXRX-JTQLQIEISA-N -1 1 255.317 3.074 20 0 CGADMM O=C(N[C@H]1C[C@@H]1C1CC1)c1c([O-])ccc2ccccc21 ZINC001153513012 805402120 /nfs/dbraw/zinc/40/21/20/805402120.db2.gz XMGDDGLSOILQSN-KGLIPLIRSA-N -1 1 267.328 3.074 20 0 CGADMM Cc1cnc(C)c(Nc2c(F)ccc([O-])c2Cl)n1 ZINC001250228345 805504244 /nfs/dbraw/zinc/50/42/44/805504244.db2.gz XWOFDKWHBRDXHH-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM COc1cc(Nc2c(F)ccc([O-])c2Cl)c(F)cn1 ZINC001250229721 805507180 /nfs/dbraw/zinc/50/71/80/805507180.db2.gz MHKSKNWVFYXREU-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM C[C@H](O)c1ccnc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250234817 805509153 /nfs/dbraw/zinc/50/91/53/805509153.db2.gz YPGMJJUIWPDLTQ-ZETCQYMHSA-N -1 1 282.702 3.377 20 0 CGADMM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3ccncc3[O-])o2)cc1 ZINC001257295207 807090218 /nfs/dbraw/zinc/09/02/18/807090218.db2.gz LOJGHRMXYHNYAF-KBPBESRZSA-N -1 1 293.326 3.417 20 0 CGADMM COCCOc1ccccc1Nc1cc(F)c([O-])cc1F ZINC001212641113 815092444 /nfs/dbraw/zinc/09/24/44/815092444.db2.gz GJLSLQIYNZVVJY-UHFFFAOYSA-N -1 1 295.285 3.439 20 0 CGADMM CCOc1ccc(-c2nnc(C3CCCC3)o2)c([O-])c1 ZINC001257499781 807181968 /nfs/dbraw/zinc/18/19/68/807181968.db2.gz OAQJZXVZMQPSDE-UHFFFAOYSA-N -1 1 274.320 3.499 20 0 CGADMM CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257516205 807189486 /nfs/dbraw/zinc/18/94/86/807189486.db2.gz YDSSOOSIFABDOR-RXMQYKEDSA-N -1 1 288.221 3.132 20 0 CGADMM COCC1(NC(=O)c2cc(Cl)ccc2[O-])CCCCC1 ZINC001167925089 807274734 /nfs/dbraw/zinc/27/47/34/807274734.db2.gz KCRGERGLAYZJDO-UHFFFAOYSA-N -1 1 297.782 3.125 20 0 CGADMM Cc1ccc(-c2noc(-c3ccncc3[O-])n2)cc1C ZINC001212721248 815113775 /nfs/dbraw/zinc/11/37/75/815113775.db2.gz FWRQTZXNIFTELC-UHFFFAOYSA-N -1 1 267.288 3.121 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001212721547 815113946 /nfs/dbraw/zinc/11/39/46/815113946.db2.gz WKBLFJXZQBLJMB-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM Cc1ccc(-c2noc(-c3ccncc3[O-])n2)c(F)c1F ZINC001212721297 815114408 /nfs/dbraw/zinc/11/44/08/815114408.db2.gz IYDXVAUXIQKHSC-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1cccc2ccc(C)nc21 ZINC001260738296 807702078 /nfs/dbraw/zinc/70/20/78/807702078.db2.gz LWSYZYAHZAJHHE-LLVKDONJSA-N -1 1 278.377 3.083 20 0 CGADMM Cc1cc(F)ncc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001212818602 815147068 /nfs/dbraw/zinc/14/70/68/815147068.db2.gz GWUBJPNCXSKLSK-UHFFFAOYSA-N -1 1 284.294 3.164 20 0 CGADMM CO/C(=C/c1ccccc1)C(=O)Nc1cccc(F)c1[O-] ZINC001171637978 808109424 /nfs/dbraw/zinc/10/94/24/808109424.db2.gz REQHSTQLNLPPDV-GXDHUFHOSA-N -1 1 287.290 3.157 20 0 CGADMM Cc1cc(C)cc(CC(=O)Nc2cccc(F)c2[O-])c1 ZINC001171637679 808110144 /nfs/dbraw/zinc/11/01/44/808110144.db2.gz POQAZSXISLNETR-UHFFFAOYSA-N -1 1 273.307 3.329 20 0 CGADMM CC(C)(C)c1nsc([N-]c2cc(F)nc(F)c2)n1 ZINC001213077347 815225115 /nfs/dbraw/zinc/22/51/15/815225115.db2.gz SVNUYCZYOQLVPA-UHFFFAOYSA-N -1 1 270.308 3.252 20 0 CGADMM COc1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001173827230 808693140 /nfs/dbraw/zinc/69/31/40/808693140.db2.gz NQOOPVJYGAWTEH-UHFFFAOYSA-N -1 1 251.232 3.423 20 0 CGADMM [O-]c1cc(Nc2ccc3cn[nH]c3c2)cc(F)c1F ZINC001174502314 809052094 /nfs/dbraw/zinc/05/20/94/809052094.db2.gz YUJSGZFOVINHEQ-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM C[C@@H]1CCC[C@@H](C2CN(C(=O)c3ccc([O-])cc3F)C2)C1 ZINC001174820975 809170905 /nfs/dbraw/zinc/17/09/05/809170905.db2.gz LWAXWHXKUFWQPK-VXGBXAGGSA-N -1 1 291.366 3.430 20 0 CGADMM CSc1nc(Nc2cc(F)ccc2C)cc(=O)[n-]1 ZINC001174884905 809189266 /nfs/dbraw/zinc/18/92/66/809189266.db2.gz YVIUJBWSLNFTLR-UHFFFAOYSA-N -1 1 265.313 3.095 20 0 CGADMM Cc1cc(C)nc(Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001174949948 809211440 /nfs/dbraw/zinc/21/14/40/809211440.db2.gz QCJJSTIVMXUIRE-UHFFFAOYSA-N -1 1 256.305 3.069 20 0 CGADMM O=C1CCCc2nc(Nc3cc(F)c([O-])c(F)c3)sc21 ZINC001213370778 815270921 /nfs/dbraw/zinc/27/09/21/815270921.db2.gz MWASUURGZQCBIN-UHFFFAOYSA-N -1 1 296.298 3.390 20 0 CGADMM [O-]c1c(F)cc(Nc2ccc(CO)cc2F)cc1F ZINC001213381769 815273483 /nfs/dbraw/zinc/27/34/83/815273483.db2.gz GDJYQPVFLFGDDE-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM CC(=O)c1cc(Nc2cc(F)c([O-])c(F)c2)ccc1O ZINC001213384634 815274707 /nfs/dbraw/zinc/27/47/07/815274707.db2.gz YPUQVBIZKVZBHB-UHFFFAOYSA-N -1 1 279.242 3.322 20 0 CGADMM Cc1cc(N(C)C)ccc1NC(=O)c1cccc([O-])c1F ZINC001290913309 809418278 /nfs/dbraw/zinc/41/82/78/809418278.db2.gz BKSDSOKNKRPJDR-UHFFFAOYSA-N -1 1 288.322 3.158 20 0 CGADMM O=C(Nc1ccc(-c2cnco2)cc1)c1cccc([O-])c1F ZINC001291765485 809423435 /nfs/dbraw/zinc/42/34/35/809423435.db2.gz BLAQAOXRTZQUSQ-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cc(F)ccc1[O-] ZINC001293449492 809449141 /nfs/dbraw/zinc/44/91/41/809449141.db2.gz QIZQDKLKIJKNPR-DMDPSCGWSA-N -1 1 277.339 3.230 20 0 CGADMM CC(C)CC1(CNC(=O)c2cccc([O-])c2F)CCC1 ZINC001295042047 809479269 /nfs/dbraw/zinc/47/92/69/809479269.db2.gz VPOWJBMSWFAHDV-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM O=C(NCCC1Cc2ccccc2C1)c1ccc(F)c([O-])c1 ZINC001296417556 809503412 /nfs/dbraw/zinc/50/34/12/809503412.db2.gz VNUWIJHJKRJHAL-UHFFFAOYSA-N -1 1 299.345 3.066 20 0 CGADMM CCc1cc(NC(=O)c2ccc(OC)cc2[O-])ccc1F ZINC001297636376 809520106 /nfs/dbraw/zinc/52/01/06/809520106.db2.gz VENQVQSFXWFXMI-UHFFFAOYSA-N -1 1 289.306 3.355 20 0 CGADMM COc1cc(C(=O)[N-]c2ccc(F)cc2SC)sn1 ZINC001299838844 809556250 /nfs/dbraw/zinc/55/62/50/809556250.db2.gz HMJJKHHEXYYEFF-UHFFFAOYSA-N -1 1 298.364 3.265 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H]1c1ccc(F)cc1 ZINC001300509363 809569067 /nfs/dbraw/zinc/56/90/67/809569067.db2.gz ZLAMQZSJMGSBGD-CQSZACIVSA-N -1 1 289.281 3.258 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccccc1-c1cn[nH]c1 ZINC001302484995 809595697 /nfs/dbraw/zinc/59/56/97/809595697.db2.gz GSVQXJVQZUYBNV-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM C[C@@H]1CC[C@@H](CC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001303298462 809608614 /nfs/dbraw/zinc/60/86/14/809608614.db2.gz BMPZFKMLXLZZDB-GHMZBOCLSA-N -1 1 281.783 3.488 20 0 CGADMM COc1nonc1[N-]c1cc(Cl)ccc1OC(C)C ZINC001176642514 809736406 /nfs/dbraw/zinc/73/64/06/809736406.db2.gz BJPXGVBNUQFPOE-UHFFFAOYSA-N -1 1 283.715 3.262 20 0 CGADMM CCOc1ccc(Nc2c(F)cc(F)c([O-])c2F)cn1 ZINC001176663176 809736983 /nfs/dbraw/zinc/73/69/83/809736983.db2.gz DCNAXOQFNVSPCJ-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM Nc1ccc(F)c(F)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176671777 809739850 /nfs/dbraw/zinc/73/98/50/809739850.db2.gz OPLFVZQGYBGHQU-UHFFFAOYSA-N -1 1 290.191 3.414 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cncc(Cl)c1 ZINC001176994005 809773205 /nfs/dbraw/zinc/77/32/05/809773205.db2.gz MNXMPGCEBASHMV-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM CC[C@H]1c2ccccc2CN1C(=O)C(=O)c1ccc([O-])cc1 ZINC001180140180 809977658 /nfs/dbraw/zinc/97/76/58/809977658.db2.gz PKXNHUOCAQSSAF-INIZCTEOSA-N -1 1 295.338 3.068 20 0 CGADMM O=C(Nc1cccnc1C1CC1)c1ccc([O-])cc1F ZINC001180184349 809982536 /nfs/dbraw/zinc/98/25/36/809982536.db2.gz NBBCNXSXFYGOBQ-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM CCc1ccc(C(=O)Nc2nc(C(C)(C)C)co2)c([O-])c1 ZINC001180596132 810013030 /nfs/dbraw/zinc/01/30/30/810013030.db2.gz KLMRPIIAERCGDU-UHFFFAOYSA-N -1 1 288.347 3.492 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1)Nc1c([O-])cccc1F ZINC001185090238 810234268 /nfs/dbraw/zinc/23/42/68/810234268.db2.gz SFTWBVCJIIPNPN-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM Cc1ccc(CNC(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001185401671 810261567 /nfs/dbraw/zinc/26/15/67/810261567.db2.gz SDCBRWCMTVSPTG-UHFFFAOYSA-N -1 1 292.285 3.301 20 0 CGADMM Cc1csc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC001186209517 810321526 /nfs/dbraw/zinc/32/15/26/810321526.db2.gz VXAGUKQVVPXWDN-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM CCc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccncc1 ZINC001190898753 810655825 /nfs/dbraw/zinc/65/58/25/810655825.db2.gz ZVBIVHHFGZRYOX-UHFFFAOYSA-N -1 1 296.779 3.098 20 0 CGADMM CC(C)COC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001193836489 810965452 /nfs/dbraw/zinc/96/54/52/810965452.db2.gz NJWYUUDEHIZBSZ-UHFFFAOYSA-N -1 1 261.680 3.389 20 0 CGADMM Cc1cncc(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214480227 815415664 /nfs/dbraw/zinc/41/56/64/815415664.db2.gz PSQUDIUMYLLEEI-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM Cc1nnc2cc(Nc3cc(F)c([O-])c(Cl)c3)ccn12 ZINC001214484889 815416662 /nfs/dbraw/zinc/41/66/62/815416662.db2.gz RHHTYOGUFGGCHM-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM Nc1cccc2c1cnn2-c1cc(F)c([O-])c(Cl)c1 ZINC001214488670 815417203 /nfs/dbraw/zinc/41/72/03/815417203.db2.gz KKIDFSUMKFZXSC-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM Cc1c(O)ccc(NC(=O)c2c[n-]c(C(F)(F)F)n2)c1C ZINC001194782032 811132026 /nfs/dbraw/zinc/13/20/26/811132026.db2.gz KJJUZSBVYBAUHY-UHFFFAOYSA-N -1 1 299.252 3.003 20 0 CGADMM [O-]c1cc(Cl)cnc1NC(=S)NCC1CCCCC1 ZINC001199917633 811612313 /nfs/dbraw/zinc/61/23/13/811612313.db2.gz CGMVEJYCBMCWOW-UHFFFAOYSA-N -1 1 299.827 3.307 20 0 CGADMM [O-]c1cc(F)c(NC(=S)Nc2ccccc2)cc1F ZINC001200840381 811752114 /nfs/dbraw/zinc/75/21/14/811752114.db2.gz NWQFWBNLLFCFJE-UHFFFAOYSA-N -1 1 280.299 3.479 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc(CO)c(F)c1F ZINC001215034946 815478190 /nfs/dbraw/zinc/47/81/90/815478190.db2.gz IIDAUGCKZBPSQK-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM O=C(Nc1cccc(F)c1)Nc1cc(F)c([O-])cc1F ZINC001202229899 812045533 /nfs/dbraw/zinc/04/55/33/812045533.db2.gz HWYDFNXZNLMSHM-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM O=C(Nc1cc(F)c(F)cc1[O-])NC1CCCCC1 ZINC001202614943 812136159 /nfs/dbraw/zinc/13/61/59/812136159.db2.gz FQKVYKLNSAPPGV-UHFFFAOYSA-N -1 1 270.279 3.125 20 0 CGADMM [O-]c1cc(O)ccc1-c1nc(-c2ncccc2C2CC2)no1 ZINC001215300298 815505247 /nfs/dbraw/zinc/50/52/47/815505247.db2.gz RQCXZGROYXRVCQ-UHFFFAOYSA-N -1 1 295.298 3.087 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc(F)c2n[nH]cc21 ZINC001215375224 815511518 /nfs/dbraw/zinc/51/15/18/815511518.db2.gz NBFSAAIUPOTFBM-UHFFFAOYSA-N -1 1 279.221 3.429 20 0 CGADMM Cc1cnc(C)c(Nc2ccc(F)c(F)c2[O-])c1 ZINC001203667903 812423880 /nfs/dbraw/zinc/42/38/80/812423880.db2.gz PYRLBIUJSJZELH-UHFFFAOYSA-N -1 1 250.248 3.426 20 0 CGADMM O=C1OCc2cccc(Nc3cc(F)c([O-])cc3F)c21 ZINC001215576167 815538356 /nfs/dbraw/zinc/53/83/56/815538356.db2.gz LVLQJKGEIWWQBQ-UHFFFAOYSA-N -1 1 277.226 3.084 20 0 CGADMM COC(=O)c1ccc(F)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001215573940 815538508 /nfs/dbraw/zinc/53/85/08/815538508.db2.gz KMCDSWMJEYFPBB-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM [O-]c1cc(Nc2cc(O)cc(F)c2)cc(F)c1F ZINC001206851670 813452232 /nfs/dbraw/zinc/45/22/32/813452232.db2.gz UQPDYXQVMPSPIK-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM Cc1cc2[nH]ncc2cc1Nc1ccc(C(=O)[O-])cc1 ZINC001210104669 814290381 /nfs/dbraw/zinc/29/03/81/814290381.db2.gz AIJIWCHJESOZSE-UHFFFAOYSA-N -1 1 267.288 3.313 20 0 CGADMM COc1ncc(Nc2cc([O-])c(F)c(F)c2)cc1C ZINC001210316694 814400664 /nfs/dbraw/zinc/40/06/64/814400664.db2.gz AHLNWRDWUZZZSE-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM CC(C)n1cc(Nc2c([O-])cc(F)cc2F)cn1 ZINC001210322681 814405154 /nfs/dbraw/zinc/40/51/54/814405154.db2.gz RVSIGHBONWNQQQ-UHFFFAOYSA-N -1 1 253.252 3.191 20 0 CGADMM CC(C)(C)c1nnc([N-]c2ccnc(OC3CC3)c2)o1 ZINC001210746299 814608055 /nfs/dbraw/zinc/60/80/55/814608055.db2.gz IDODTXMTCFPZOZ-UHFFFAOYSA-N -1 1 274.324 3.047 20 0 CGADMM Cc1cnc(-c2cccc([O-])c2Cl)nc1N1CCCC1 ZINC001242797356 823135440 /nfs/dbraw/zinc/13/54/40/823135440.db2.gz AKGYPZGNCZXLPW-UHFFFAOYSA-N -1 1 289.766 3.411 20 0 CGADMM CCc1nnc(-c2cccc([O-])c2Cl)nc1CC ZINC001242799259 823135838 /nfs/dbraw/zinc/13/58/38/823135838.db2.gz BOARDFSXDSCJAE-UHFFFAOYSA-N -1 1 263.728 3.022 20 0 CGADMM CCc1[nH]nc2ncc(Nc3ccc(F)c(F)c3[O-])cc21 ZINC001210887318 814665099 /nfs/dbraw/zinc/66/50/99/814665099.db2.gz XIJHHUSUMUXOBI-UHFFFAOYSA-N -1 1 290.273 3.248 20 0 CGADMM c1csc([N-]c2nccnc2OCc2ccccc2)n1 ZINC001210989908 814701111 /nfs/dbraw/zinc/70/11/11/814701111.db2.gz UODXSTQTPLZHFW-UHFFFAOYSA-N -1 1 284.344 3.256 20 0 CGADMM COC(=O)c1ccc(N)c(-c2cccc([O-])c2Cl)c1 ZINC001242799242 823136060 /nfs/dbraw/zinc/13/60/60/823136060.db2.gz ANGXISGRBGOPOE-UHFFFAOYSA-N -1 1 277.707 3.081 20 0 CGADMM CN1CCc2cccc(-c3cccc([O-])c3Cl)c2C1=O ZINC001242801585 823136949 /nfs/dbraw/zinc/13/69/49/823136949.db2.gz BAQVSVJUDWFDGA-UHFFFAOYSA-N -1 1 287.746 3.341 20 0 CGADMM CN1CCc2ccc(-c3cccc([O-])c3Cl)cc2C1=O ZINC001242801991 823137666 /nfs/dbraw/zinc/13/76/66/823137666.db2.gz LBDVEFQWBCCPIF-UHFFFAOYSA-N -1 1 287.746 3.341 20 0 CGADMM COCCOc1cc(-c2cccc([O-])c2Cl)ccn1 ZINC001242802164 823137791 /nfs/dbraw/zinc/13/77/91/823137791.db2.gz UIMDYKHEKKJSBG-UHFFFAOYSA-N -1 1 279.723 3.133 20 0 CGADMM CCC(=O)Nc1cc(-c2cccc([O-])c2Cl)ccn1 ZINC001242802838 823137926 /nfs/dbraw/zinc/13/79/26/823137926.db2.gz JEAKIYFKWLOBAD-UHFFFAOYSA-N -1 1 276.723 3.456 20 0 CGADMM O=C1CSc2ncc(-c3cccc([O-])c3Cl)cc2N1 ZINC001242802508 823137932 /nfs/dbraw/zinc/13/79/32/823137932.db2.gz JZGHXRSSVJLRJP-UHFFFAOYSA-N -1 1 292.747 3.152 20 0 CGADMM Cc1occc1Nc1cc2ccc([O-])cc2oc1=O ZINC001211240033 814857630 /nfs/dbraw/zinc/85/76/30/814857630.db2.gz UXEFNMOBPZWJNN-UHFFFAOYSA-N -1 1 257.245 3.144 20 0 CGADMM CC(=O)Nc1ccc(F)cc1-c1cc(F)c([O-])cc1F ZINC001211337970 814881662 /nfs/dbraw/zinc/88/16/62/814881662.db2.gz ALVLXBMJJICXFT-UHFFFAOYSA-N -1 1 281.233 3.435 20 0 CGADMM COC(=O)c1cc(F)ccc1-c1cc(F)c([O-])cc1F ZINC001211339048 814882088 /nfs/dbraw/zinc/88/20/88/814882088.db2.gz KOZFVROBXNPTSL-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM Cc1cc(C)c(-c2noc(-c3cccc([O-])c3F)n2)cn1 ZINC001215988856 815653406 /nfs/dbraw/zinc/65/34/06/815653406.db2.gz JFZSGYDMXHIPMA-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM CCc1cc(Nc2cc3ccc([O-])cc3oc2=O)ccc1N ZINC001216037438 815667424 /nfs/dbraw/zinc/66/74/24/815667424.db2.gz KKELZXLYNDCDSI-UHFFFAOYSA-N -1 1 296.326 3.387 20 0 CGADMM Cc1c(Nc2ccnn2-c2ccncc2)cccc1C(=O)[O-] ZINC001216658491 815886308 /nfs/dbraw/zinc/88/63/08/815886308.db2.gz AQDGOWVMKOPMSS-UHFFFAOYSA-N -1 1 294.314 3.018 20 0 CGADMM [O-]c1cc(F)c(-c2cncc(-c3ncco3)c2)cc1F ZINC001222082166 816343836 /nfs/dbraw/zinc/34/38/36/816343836.db2.gz AQYKOBXOOSAGTL-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CCCCCC(CCCCC)OCc1nn[n-]n1 ZINC001223026973 816554023 /nfs/dbraw/zinc/55/40/23/816554023.db2.gz KTSCCIJNBBXPJI-UHFFFAOYSA-N -1 1 254.378 3.246 20 0 CGADMM CCCC[C@@H](OCC[P@](=O)([O-])O)c1ccccc1 ZINC001224607987 816832419 /nfs/dbraw/zinc/83/24/19/816832419.db2.gz XNDYGAOYBWENQC-CYBMUJFWSA-N -1 1 272.281 3.112 20 0 CGADMM CCCC[C@H](OCC[P@](=O)([O-])O)c1ccccc1 ZINC001224607994 816832844 /nfs/dbraw/zinc/83/28/44/816832844.db2.gz XNDYGAOYBWENQC-ZDUSSCGKSA-N -1 1 272.281 3.112 20 0 CGADMM [O-]c1cc(-c2ncnc(-c3cccc(F)c3)n2)ccc1F ZINC001243048611 823225463 /nfs/dbraw/zinc/22/54/63/823225463.db2.gz GOTVNXCDVIZYRM-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM COc1nnc(-c2ccc(F)c([O-])c2)c2ccccc21 ZINC001243048279 823225958 /nfs/dbraw/zinc/22/59/58/823225958.db2.gz NRDXMCFLJXCSTA-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM CCC[C@H]1CCCC[C@@H]1OCCCC[P@](=O)([O-])O ZINC001225018640 816933073 /nfs/dbraw/zinc/93/30/73/816933073.db2.gz DGDJMBKNLXJMSG-STQMWFEESA-N -1 1 278.329 3.320 20 0 CGADMM CCC[C@H](C)[C@@H](CC)OCCCC[P@](=O)([O-])O ZINC001225019608 816934349 /nfs/dbraw/zinc/93/43/49/816934349.db2.gz YTZBQAITWMBJCG-NWDGAFQWSA-N -1 1 266.318 3.176 20 0 CGADMM CCC[C@@H](CC(=O)OCC)Oc1cc([O-])ccc1C(C)=O ZINC001225615989 817114380 /nfs/dbraw/zinc/11/43/80/817114380.db2.gz DLTVQWWQONYJJL-ZDUSSCGKSA-N -1 1 294.347 3.096 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CCCC[C@H]1C ZINC001225680431 817139955 /nfs/dbraw/zinc/13/99/55/817139955.db2.gz ZVHUGONCMLUGQW-RNCFNFMXSA-N -1 1 264.321 3.258 20 0 CGADMM CC(=O)c1c[n-]c(=O)nc1O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001226238708 817307012 /nfs/dbraw/zinc/30/70/12/817307012.db2.gz XNPXVYPOLKQYBW-YNEHKIRRSA-N -1 1 290.363 3.123 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H](C)c1c(F)cccc1F ZINC001226242295 817308952 /nfs/dbraw/zinc/30/89/52/817308952.db2.gz KLHPXICXKAJPKG-ZETCQYMHSA-N -1 1 298.314 3.192 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H](C)c1ccc(F)c(F)c1 ZINC001226246023 817310520 /nfs/dbraw/zinc/31/05/20/817310520.db2.gz NPAQANYIVFJZNC-SSDOTTSWSA-N -1 1 298.314 3.192 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H](C)C3CCC3)c12 ZINC001226488207 817372814 /nfs/dbraw/zinc/37/28/14/817372814.db2.gz FMPZLFMSKWYTBD-SNVBAGLBSA-N -1 1 274.316 3.374 20 0 CGADMM CC(C)(C)[C@H]1CC[C@@H](Oc2cnc[n-]c2=O)CC1 ZINC001227051903 817544646 /nfs/dbraw/zinc/54/46/46/817544646.db2.gz RSLZHMYFDDMYDY-PHIMTYICSA-N -1 1 250.342 3.166 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1ccc(F)cc1 ZINC001227383702 817637103 /nfs/dbraw/zinc/63/71/03/817637103.db2.gz QMMPHOGPZJKEQL-SSDOTTSWSA-N -1 1 268.288 3.184 20 0 CGADMM COC(=O)C[C@@H](C)Oc1cc(Cl)c([O-])cc1Cl ZINC001227641844 817687003 /nfs/dbraw/zinc/68/70/03/817687003.db2.gz SDLGPSITABMVNE-ZCFIWIBFSA-N -1 1 279.119 3.029 20 0 CGADMM CC1(C)COC(=O)[C@H]1Oc1cc(Cl)c([O-])cc1Cl ZINC001227641894 817687578 /nfs/dbraw/zinc/68/75/78/817687578.db2.gz TZKXGHUOTSMZEA-SNVBAGLBSA-N -1 1 291.130 3.029 20 0 CGADMM CSc1nc(O[C@@H](C)c2cccc(C)c2)cc(=O)[n-]1 ZINC001228096210 817811997 /nfs/dbraw/zinc/81/19/97/817811997.db2.gz ZTXUXAWQJWLLIC-JTQLQIEISA-N -1 1 276.361 3.353 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1-c1cccn2cncc12 ZINC001243205263 823290687 /nfs/dbraw/zinc/29/06/87/823290687.db2.gz NRJKKJJEYMESNB-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CC[C@@H](C)C1 ZINC001228554498 817936802 /nfs/dbraw/zinc/93/68/02/817936802.db2.gz JYOYZGKIAWEHFA-KOLCDFICSA-N -1 1 264.321 3.258 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001228556439 817938201 /nfs/dbraw/zinc/93/82/01/817938201.db2.gz OYRFUYAQWMFMJL-IMSIIYSGSA-N -1 1 276.332 3.258 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)nc2ccccc21)c1ccccn1 ZINC001228763602 818001543 /nfs/dbraw/zinc/00/15/43/818001543.db2.gz CGKVQRRTJJXZJU-SNVBAGLBSA-N -1 1 283.356 3.454 20 0 CGADMM [O-]c1cccnc1-c1ncccc1O[C@@H]1CCC(F)(F)C1 ZINC001231203753 818058108 /nfs/dbraw/zinc/05/81/08/818058108.db2.gz LYWATOCTVFSFTM-SNVBAGLBSA-N -1 1 292.285 3.416 20 0 CGADMM [O-]c1c(F)ccc(CN2CCCC(F)(F)[C@@H](F)C2)c1F ZINC001232930601 818474827 /nfs/dbraw/zinc/47/48/27/818474827.db2.gz CEMIKMAYWJNAGO-JTQLQIEISA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1c(F)ccc(CN2CCc3ccccc3C2)c1F ZINC001232933326 818475958 /nfs/dbraw/zinc/47/59/58/818475958.db2.gz HGXYNFKYQNOJLG-UHFFFAOYSA-N -1 1 275.298 3.229 20 0 CGADMM CN(Cc1ccccc1F)Cc1ccc(F)c([O-])c1F ZINC001232935563 818478261 /nfs/dbraw/zinc/47/82/61/818478261.db2.gz TZBRCDTWDDQJGL-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM [O-]c1cc(CN2CCC[C@@H]2c2nccs2)cc(F)c1F ZINC001232973336 818487455 /nfs/dbraw/zinc/48/74/55/818487455.db2.gz UNFOAUCQLRAGMR-LLVKDONJSA-N -1 1 296.342 3.464 20 0 CGADMM COc1cccc2c1CN(Cc1cc([O-])c(F)c(F)c1)C2 ZINC001232975412 818490133 /nfs/dbraw/zinc/49/01/33/818490133.db2.gz JDFAEFQYOXXCJP-UHFFFAOYSA-N -1 1 291.297 3.195 20 0 CGADMM CC(=O)Nc1ccc(F)c(-c2ccc([O-])c(F)c2F)c1 ZINC001243340502 823353995 /nfs/dbraw/zinc/35/39/95/823353995.db2.gz BVGKGFPLXPWPJZ-UHFFFAOYSA-N -1 1 281.233 3.435 20 0 CGADMM COc1ccc(-c2ccc([O-])c(F)c2F)c(F)c1 ZINC001243341951 823355436 /nfs/dbraw/zinc/35/54/36/823355436.db2.gz FUBUCUYOTODDIG-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1CCCCC1=O ZINC001233650082 818670085 /nfs/dbraw/zinc/67/00/85/818670085.db2.gz GRIMGYMLVUVCIS-HNNXBMFYSA-N -1 1 276.332 3.266 20 0 CGADMM Cc1cc(N(C)C)ncc1-c1ccc([O-])c(F)c1F ZINC001243342783 823357323 /nfs/dbraw/zinc/35/73/23/823357323.db2.gz UFBUIYSGURYPEL-UHFFFAOYSA-N -1 1 264.275 3.107 20 0 CGADMM [O-]c1ccc(-c2cccc3cncnc32)c(F)c1F ZINC001243342692 823357555 /nfs/dbraw/zinc/35/75/55/823357555.db2.gz ORGZKFFCESFUJK-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CC[C@@H](C)[C@H](C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234045399 818766840 /nfs/dbraw/zinc/76/68/40/818766840.db2.gz UEUPZOYAYGSFLD-ZJUUUORDSA-N -1 1 276.336 3.163 20 0 CGADMM CC[C@@H](C)[C@H](C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234045399 818766849 /nfs/dbraw/zinc/76/68/49/818766849.db2.gz UEUPZOYAYGSFLD-ZJUUUORDSA-N -1 1 276.336 3.163 20 0 CGADMM Cc1[nH]c2c(ncnc2-c2c(F)ccc(C)c2[O-])c1C ZINC001236390255 819446623 /nfs/dbraw/zinc/44/66/23/819446623.db2.gz INEJZDPCJAYVDY-UHFFFAOYSA-N -1 1 271.295 3.395 20 0 CGADMM CCO/C=C\c1nccnc1-c1c(F)ccc(C)c1[O-] ZINC001236391210 819447569 /nfs/dbraw/zinc/44/75/69/819447569.db2.gz MRFKFCTYAYYBFF-TWGQIWQCSA-N -1 1 274.295 3.304 20 0 CGADMM Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(F)c(O)c1)C2 ZINC001236714682 819580083 /nfs/dbraw/zinc/58/00/83/819580083.db2.gz WEAFQFXTEXXCLN-UHFFFAOYSA-N -1 1 271.335 3.398 20 0 CGADMM COc1cc(-c2cc(F)cc(F)c2[O-])cc(OC)c1OC ZINC001243501824 823421591 /nfs/dbraw/zinc/42/15/91/823421591.db2.gz COCDYOVHHBJEMY-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM Cn1c(=O)cc(-c2cc(F)cc(F)c2[O-])c2ccccc21 ZINC001243507066 823424697 /nfs/dbraw/zinc/42/46/97/823424697.db2.gz RRLCKZDATWIMGA-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM COc1cc(-c2cc(F)cc(F)c2[O-])c2cc[nH]c2n1 ZINC001243507290 823424785 /nfs/dbraw/zinc/42/47/85/823424785.db2.gz WEDPHGDOEWRHJM-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM COc1cc(SC)c(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243506621 823424157 /nfs/dbraw/zinc/42/41/57/823424157.db2.gz FUVWLPCBYXXXKM-UHFFFAOYSA-N -1 1 283.299 3.463 20 0 CGADMM [O-]c1cccc(-c2ncc(C(F)(F)F)cn2)c1F ZINC001243541450 823435982 /nfs/dbraw/zinc/43/59/82/823435982.db2.gz BOWIWSXEQNIEDH-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM Cc1cc(-c2ccc(Cl)c([O-])c2)cc2c1OCC(=O)N2 ZINC001243583064 823455001 /nfs/dbraw/zinc/45/50/01/823455001.db2.gz XNUQKODNOBLHFG-UHFFFAOYSA-N -1 1 289.718 3.352 20 0 CGADMM CN(C)Cc1ccc(-c2ccc(C(=O)[O-])cc2F)cc1F ZINC001239275594 820250192 /nfs/dbraw/zinc/25/01/92/820250192.db2.gz VKSYCIVVMCPEKB-UHFFFAOYSA-N -1 1 291.297 3.392 20 0 CGADMM Nc1cccc(-c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001243609900 823466391 /nfs/dbraw/zinc/46/63/91/823466391.db2.gz XATJFNUATYWZRA-UHFFFAOYSA-N -1 1 254.211 3.055 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1ncnc2sncc21 ZINC001243610293 823466673 /nfs/dbraw/zinc/46/66/73/823466673.db2.gz FSCFGUPUQGKYCR-UHFFFAOYSA-N -1 1 297.261 3.478 20 0 CGADMM Cc1cc2c(c(-c3ccc(C(C)C)cc3)n1)C(=O)[N-]C2=O ZINC001239625268 820471642 /nfs/dbraw/zinc/47/16/42/820471642.db2.gz LNMCRBBNFUCXMN-UHFFFAOYSA-N -1 1 280.327 3.064 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc(C(C)=O)c3)ccc2[n-]1 ZINC001239636104 820481108 /nfs/dbraw/zinc/48/11/08/820481108.db2.gz QLVPJVMOLNFMAV-UHFFFAOYSA-N -1 1 294.310 3.219 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc(C(C)=O)c3)cc2[n-]1 ZINC001239636104 820481113 /nfs/dbraw/zinc/48/11/13/820481113.db2.gz QLVPJVMOLNFMAV-UHFFFAOYSA-N -1 1 294.310 3.219 20 0 CGADMM Nc1cc(-c2cc(F)ccc2[O-])ncc1C(F)(F)F ZINC001240693796 821249563 /nfs/dbraw/zinc/24/95/63/821249563.db2.gz ICGJKZHVEKAVEF-UHFFFAOYSA-N -1 1 272.201 3.194 20 0 CGADMM C[C@H]1CCCN(c2cc(-c3cc(F)ccc3[O-])ncn2)C1 ZINC001240695070 821250920 /nfs/dbraw/zinc/25/09/20/821250920.db2.gz AWDVYEPKADXFQT-NSHDSACASA-N -1 1 287.338 3.225 20 0 CGADMM COc1nc(-c2ccc([O-])c(F)c2)nc2ccsc21 ZINC001240781572 821321633 /nfs/dbraw/zinc/32/16/33/821321633.db2.gz AVWLKAGXYUQANL-UHFFFAOYSA-N -1 1 276.292 3.212 20 0 CGADMM Cc1nc2ccccc2c(-c2ccc([O-])c(F)c2)n1 ZINC001240783235 821323041 /nfs/dbraw/zinc/32/30/41/821323041.db2.gz PRAAYKWYPFUTCX-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM Cc1cc2cccnc2c(-c2ccc([O-])c(F)c2)n1 ZINC001240786029 821325593 /nfs/dbraw/zinc/32/55/93/821325593.db2.gz IGVQJEDRARYTQC-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM COc1cc2[nH]cnc2cc1-c1cc(C(=O)[O-])ccc1C ZINC001241001750 821480930 /nfs/dbraw/zinc/48/09/30/821480930.db2.gz IWMWKDFOAHTMJS-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM COc1ccc2ncnc(-c3c(F)cc([O-])cc3F)c2c1 ZINC001241117343 821571371 /nfs/dbraw/zinc/57/13/71/821571371.db2.gz MMGDHWSAMOKCMZ-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM [O-]c1cc(F)c(-c2cc(-c3ccncc3)ncn2)c(F)c1 ZINC001241119006 821574258 /nfs/dbraw/zinc/57/42/58/821574258.db2.gz BWCVSEVTZITVEO-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM C[S@](=O)c1ccccc1-c1c(F)cc([O-])cc1F ZINC001241120758 821576768 /nfs/dbraw/zinc/57/67/68/821576768.db2.gz JRHVCNYOJOWTGQ-SFHVURJKSA-N -1 1 268.284 3.075 20 0 CGADMM O=c1c(-c2c(F)cc([O-])cc2F)cccn1-c1ccccc1 ZINC001241121547 821577125 /nfs/dbraw/zinc/57/71/25/821577125.db2.gz MFBSRQRVYRIRQY-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM O=C1Nc2ccc(-c3c(F)cc([O-])cc3F)cc2C12CC2 ZINC001241120939 821577441 /nfs/dbraw/zinc/57/74/41/821577441.db2.gz UHHRNKKMILSVPP-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM COc1cnc(C)c(-c2c(F)cc([O-])cc2F)c1 ZINC001241122606 821578440 /nfs/dbraw/zinc/57/84/40/821578440.db2.gz HQCDICQLUMQWRC-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CCn1nnc2c1ccc(-c1c(F)cc([O-])cc1F)c2C ZINC001241124199 821581890 /nfs/dbraw/zinc/58/18/90/821581890.db2.gz CQFSJVJWAASRMP-UHFFFAOYSA-N -1 1 289.285 3.410 20 0 CGADMM [O-]c1ccc(F)c(-c2ccnc(-c3cccnc3)n2)c1F ZINC001241288894 821704868 /nfs/dbraw/zinc/70/48/68/821704868.db2.gz ACIZRMGWCFCVAA-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(-c3cccnc3)nn2)c1F ZINC001241289228 821706563 /nfs/dbraw/zinc/70/65/63/821706563.db2.gz NQKOCABIBKRQNV-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM O=C([O-])c1cc(F)cc(-c2ccc3nc[nH]c3c2)c1 ZINC001241827451 822166335 /nfs/dbraw/zinc/16/63/35/822166335.db2.gz FXBJWGBDFWBZLI-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM COc1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242148378 822894526 /nfs/dbraw/zinc/89/45/26/822894526.db2.gz WCPXSQCAOQLPED-UHFFFAOYSA-N -1 1 269.222 3.482 20 0 CGADMM Nc1cccc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151492 822896165 /nfs/dbraw/zinc/89/61/65/822896165.db2.gz PNZMZXUZWOXTQM-UHFFFAOYSA-N -1 1 254.211 3.055 20 0 CGADMM COC(=O)c1ncccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242156920 822898221 /nfs/dbraw/zinc/89/82/21/822898221.db2.gz ANEPQJUJPHEPLX-UHFFFAOYSA-N -1 1 297.232 3.260 20 0 CGADMM Cc1nc2c(-c3ccc([O-])c(C(F)(F)F)c3)cccn2n1 ZINC001242158165 822898885 /nfs/dbraw/zinc/89/88/85/822898885.db2.gz RVAJRJQXLMWJPG-UHFFFAOYSA-N -1 1 293.248 3.429 20 0 CGADMM COCc1nc(C)cc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242158318 822899148 /nfs/dbraw/zinc/89/91/48/822899148.db2.gz YGCVNIIKJVZKNA-UHFFFAOYSA-N -1 1 298.264 3.323 20 0 CGADMM [O-]c1ccc(-c2ncnn3cccc23)cc1C(F)(F)F ZINC001242162411 822900382 /nfs/dbraw/zinc/90/03/82/822900382.db2.gz OWJYZMLKOZKYQD-UHFFFAOYSA-N -1 1 279.221 3.121 20 0 CGADMM CC1(C)CC=C(c2ccc3c(c2)CC(=O)[N-]C3=O)CC1 ZINC001242329722 822952709 /nfs/dbraw/zinc/95/27/09/822952709.db2.gz GAZZQVSXFGQYRQ-UHFFFAOYSA-N -1 1 269.344 3.093 20 0 CGADMM COC(=O)c1cccc2cnc(-c3cccc(C)c3[O-])nc21 ZINC001242344650 822957800 /nfs/dbraw/zinc/95/78/00/822957800.db2.gz RVXOUBCLWSLZPM-UHFFFAOYSA-N -1 1 294.310 3.097 20 0 CGADMM O=c1c(-c2cccc(F)c2[O-])cccn1Cc1ccccc1 ZINC001242352408 822962004 /nfs/dbraw/zinc/96/20/04/822962004.db2.gz GRNWYIHYFXTMAH-UHFFFAOYSA-N -1 1 295.313 3.408 20 0 CGADMM Cc1nnc2ccc(-c3cccc(Cl)c3[O-])cn12 ZINC001242365767 822968726 /nfs/dbraw/zinc/96/87/26/822968726.db2.gz JUBJNULTXLMJMX-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM COc1cc(-c2cccc(Cl)c2[O-])cnc1F ZINC001242366742 822969741 /nfs/dbraw/zinc/96/97/41/822969741.db2.gz DJOYAHCVUGEZJY-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM O=C(CC1(C(F)(F)F)CC1)Nc1nc(Cl)ccc1[O-] ZINC001342524753 936469200 /nfs/dbraw/zinc/46/92/00/936469200.db2.gz HPUBMUBWEWACTA-UHFFFAOYSA-N -1 1 294.660 3.112 20 0 CGADMM Cc1noc([N-][C@@H](C)c2nc3ccccc3n2C(F)F)n1 ZINC001354072311 937088628 /nfs/dbraw/zinc/08/86/28/937088628.db2.gz VMCDXHOTVCVERQ-ZETCQYMHSA-N -1 1 293.277 3.296 20 0 CGADMM O=C([N-]c1ccc(F)cc1F)c1ncoc1C(F)(F)F ZINC001440493453 937330300 /nfs/dbraw/zinc/33/03/00/937330300.db2.gz HUEVVJDNZLFXTA-UHFFFAOYSA-N -1 1 292.163 3.224 20 0 CGADMM Cc1ccc(NC(=O)c2cccc([O-])c2F)cc1F ZINC001440475953 937330440 /nfs/dbraw/zinc/33/04/40/937330440.db2.gz FHYZHFRBWPIFQW-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM O=C(Nc1ccc2nc[nH]c2c1)c1ccc(Cl)c([O-])c1 ZINC001442354718 937341911 /nfs/dbraw/zinc/34/19/11/937341911.db2.gz MLGMTVFOZRPLJH-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@H]2CC(C)C)c1 ZINC001443019385 937345851 /nfs/dbraw/zinc/34/58/51/937345851.db2.gz SJBDGSRFYHAQGK-AWEZNQCLSA-N -1 1 289.375 3.164 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])cn1)c1ccc(Cl)s1 ZINC001444144001 937350651 /nfs/dbraw/zinc/35/06/51/937350651.db2.gz ZLWQLHSCMKTVTC-VIFPVBQESA-N -1 1 296.779 3.383 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(CC2CCC2)C(C)C)c1 ZINC001448630604 937376043 /nfs/dbraw/zinc/37/60/43/937376043.db2.gz OOUJZIMSTVFNNN-UHFFFAOYSA-N -1 1 289.375 3.164 20 0 CGADMM C/C=C(\C)C(=O)Nc1cccc([O-])c1Br ZINC001449943207 937382826 /nfs/dbraw/zinc/38/28/26/937382826.db2.gz VILGTXGXGBEABF-XVNBXDOJSA-N -1 1 270.126 3.059 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1csc2cc(C)ccc12 ZINC001450495498 937385904 /nfs/dbraw/zinc/38/59/04/937385904.db2.gz KKAJIBUYZLWXCT-UHFFFAOYSA-N -1 1 287.344 3.199 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ncsc1C1CC1 ZINC001451760677 937391650 /nfs/dbraw/zinc/39/16/50/937391650.db2.gz XBGAZBPMWRGAHN-UHFFFAOYSA-N -1 1 296.298 3.257 20 0 CGADMM CCc1cccc(C(=O)Nc2cc(F)cc(F)c2[O-])c1O ZINC001451761044 937391756 /nfs/dbraw/zinc/39/17/56/937391756.db2.gz YRSIPQWKZCBNJN-UHFFFAOYSA-N -1 1 293.269 3.191 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cccc([O-])c1F ZINC001452262714 937394566 /nfs/dbraw/zinc/39/45/66/937394566.db2.gz VKQUDRZFTDANER-JSGCOSHPSA-N -1 1 285.318 3.065 20 0 CGADMM Cc1ccc(C(=O)Nc2cccc(F)c2[O-])s1 ZINC001454758783 937412266 /nfs/dbraw/zinc/41/22/66/937412266.db2.gz RKQOGBHREMYJIZ-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1C[C@H]1C1CCCC1 ZINC001455451738 937417817 /nfs/dbraw/zinc/41/78/17/937417817.db2.gz PWXJWYOYSKCZLY-STQMWFEESA-N -1 1 293.794 3.488 20 0 CGADMM C[C@@H]1CC[C@@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229136599 932102789 /nfs/dbraw/zinc/10/27/89/932102789.db2.gz WTSCMAHBNUPQGW-MWLCHTKSSA-N -1 1 260.289 3.066 20 0 CGADMM C[C@@H]1CCCC[C@@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134720 932103302 /nfs/dbraw/zinc/10/33/02/932103302.db2.gz JGESCUTYLUARAS-MFKMUULPSA-N -1 1 274.316 3.456 20 0 CGADMM COc1cc2ccc(=O)oc2c(O[C@@H]2CC[C@H](C)C2)c1[O-] ZINC001229218529 932117739 /nfs/dbraw/zinc/11/77/39/932117739.db2.gz NPOXKMJRPPTNRR-GXSJLCMTSA-N -1 1 290.315 3.075 20 0 CGADMM CCC[C@@H](C)[C@@H](Oc1nc(C(=O)OC)c[n-]1)C(C)C ZINC001230282020 932551460 /nfs/dbraw/zinc/55/14/60/932551460.db2.gz NRLMLMHWXQZEQX-PWSUYJOCSA-N -1 1 268.357 3.036 20 0 CGADMM Cc1ccccc1Cn1[n-]c2c(c1=O)C[C@@H](C)CC2 ZINC001332275731 932737512 /nfs/dbraw/zinc/73/75/12/932737512.db2.gz BNZLVFBOAQJLKW-SMDDNHRTSA-N -1 1 256.349 3.129 20 0 CGADMM COCCN(Cc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001462248652 937627628 /nfs/dbraw/zinc/62/76/28/937627628.db2.gz JWBUYRQKAJAWPE-UHFFFAOYSA-N -1 1 293.313 3.323 20 0 CGADMM CC(C)(C)[C@@H]1CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC001336865431 932823989 /nfs/dbraw/zinc/82/39/89/932823989.db2.gz XZNQCGPGGYZDFD-LBPRGKRZSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(NC[C@]12C[C@H]1CCC2)c1ccc(C(F)(F)F)c([O-])c1 ZINC001303936483 932837470 /nfs/dbraw/zinc/83/74/70/932837470.db2.gz JTJBGJRIRCNQHV-YGRLFVJLSA-N -1 1 299.292 3.331 20 0 CGADMM Cn1c2ccccc2nc1NCc1ccc([O-])c(F)c1F ZINC001308990449 933224059 /nfs/dbraw/zinc/22/40/59/933224059.db2.gz WKDZLLGXCVEKFC-UHFFFAOYSA-N -1 1 289.285 3.169 20 0 CGADMM CC(C)(C)CC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001309048796 933226643 /nfs/dbraw/zinc/22/66/43/933226643.db2.gz YVGUECQOXUMOOX-UHFFFAOYSA-N -1 1 299.367 3.286 20 0 CGADMM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1sccc1Cl ZINC001309436950 933234736 /nfs/dbraw/zinc/23/47/36/933234736.db2.gz NLVIWMVAORRQGB-DTWKUNHWSA-N -1 1 293.841 3.116 20 0 CGADMM CC(C)C(C)(C)CS(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC001463809695 937680768 /nfs/dbraw/zinc/68/07/68/937680768.db2.gz VDGKYUVRIGYTHE-UHFFFAOYSA-N -1 1 297.411 3.166 20 0 CGADMM CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001464133468 937687057 /nfs/dbraw/zinc/68/70/57/937687057.db2.gz AQJCRIDXFURZAR-CQSZACIVSA-N -1 1 297.351 3.039 20 0 CGADMM Cc1ccccc1C[C@@H](C)NC(=O)c1cccc([O-])c1F ZINC001464644295 937693431 /nfs/dbraw/zinc/69/34/31/937693431.db2.gz KUGUPBWQTKMGFD-GFCCVEGCSA-N -1 1 287.334 3.201 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC001465593307 937701944 /nfs/dbraw/zinc/70/19/44/937701944.db2.gz LUINGPXNZMPMRL-TZMCWYRMSA-N -1 1 295.379 3.032 20 0 CGADMM O=C(N[C@H](CC1CCC1)c1ccccc1)c1ncccc1[O-] ZINC001466499502 937709972 /nfs/dbraw/zinc/70/99/72/937709972.db2.gz LHDKSCSQNVSQKD-OAHLLOKOSA-N -1 1 296.370 3.449 20 0 CGADMM C[C@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccsc1 ZINC001467500886 937718722 /nfs/dbraw/zinc/71/87/22/937718722.db2.gz MLRQHAJQARKORT-JTQLQIEISA-N -1 1 298.367 3.493 20 0 CGADMM C/C(=C\c1ccco1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001468004090 937723642 /nfs/dbraw/zinc/72/36/42/937723642.db2.gz XWNYCEHQKJRGQV-BQYQJAHWSA-N -1 1 279.242 3.305 20 0 CGADMM CC(C)CCc1cc(NC(=O)c2cccc([O-])c2F)n[nH]1 ZINC001469467590 937739562 /nfs/dbraw/zinc/73/95/62/937739562.db2.gz HFGCUJVECNUMOJ-UHFFFAOYSA-N -1 1 291.326 3.095 20 0 CGADMM CC1(C)CCN(C(=O)c2ccc([O-])cn2)CC(C)(C)C1 ZINC001469976250 937746576 /nfs/dbraw/zinc/74/65/76/937746576.db2.gz HSDWUFUKOJTHPK-UHFFFAOYSA-N -1 1 276.380 3.076 20 0 CGADMM Cc1cccc([C@@H](NC(=O)c2ccc([O-])cn2)C(C)C)c1 ZINC001470964039 937759853 /nfs/dbraw/zinc/75/98/53/937759853.db2.gz YRDCYLOUARGOBI-INIZCTEOSA-N -1 1 284.359 3.223 20 0 CGADMM CCc1ccc2nc(-c3cc([O-])cc(F)c3)[nH]c(=O)c2c1 ZINC001324190381 934469536 /nfs/dbraw/zinc/46/95/36/934469536.db2.gz QZSRQVAOFZTEME-UHFFFAOYSA-N -1 1 284.290 3.410 20 0 CGADMM O=C(NCC[C@H]1CCC(F)(F)C1)c1ccc(F)c([O-])c1 ZINC001472296470 937775142 /nfs/dbraw/zinc/77/51/42/937775142.db2.gz QAHXTUDMZXMTCX-SECBINFHSA-N -1 1 287.281 3.087 20 0 CGADMM CC(C)=CC[C@@H](NCc1cnc(C(C)C)s1)C(=O)[O-] ZINC001329685007 935239652 /nfs/dbraw/zinc/23/96/52/935239652.db2.gz CKFLAFXLTBBFBH-GFCCVEGCSA-N -1 1 282.409 3.166 20 0 CGADMM C[C@]1(C(=O)Nc2ccc(Br)c([O-])c2)C=CCC1 ZINC001335517150 936150250 /nfs/dbraw/zinc/15/02/50/936150250.db2.gz PIPNQSAUCQODCF-ZDUSSCGKSA-N -1 1 296.164 3.450 20 0 CGADMM [O-]c1ccc(CN2CCc3cc(F)ccc32)c(F)c1F ZINC001474475751 937862097 /nfs/dbraw/zinc/86/20/97/937862097.db2.gz LMQYMTMABDSKRF-UHFFFAOYSA-N -1 1 279.261 3.372 20 0 CGADMM C[C@H]1CCCCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001479211792 937917432 /nfs/dbraw/zinc/91/74/32/937917432.db2.gz SDIVSNANKGXKHJ-NSHDSACASA-N -1 1 296.798 3.377 20 0 CGADMM CC(C)c1oncc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001520495311 938026118 /nfs/dbraw/zinc/02/61/18/938026118.db2.gz VVRPZTIWLIZWJT-UHFFFAOYSA-N -1 1 294.738 3.087 20 0 CGADMM CC(=O)c1ccc(OC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001523995272 938042136 /nfs/dbraw/zinc/04/21/36/938042136.db2.gz LGHVJTCMWSDDOW-UHFFFAOYSA-N -1 1 290.702 3.467 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])cn1)c1cccc(Cl)c1 ZINC001540797343 938133834 /nfs/dbraw/zinc/13/38/34/938133834.db2.gz VEFOKFWAEOOGSU-ZDUSSCGKSA-N -1 1 290.750 3.322 20 0 CGADMM CC(C)CN(CCc1ccccc1)C(=O)c1ccc([O-])cn1 ZINC001543213119 938138256 /nfs/dbraw/zinc/13/82/56/938138256.db2.gz VQNZPKXSYLXLNY-UHFFFAOYSA-N -1 1 298.386 3.128 20 0 CGADMM CC(C)N(C(=O)c1cc(Cl)ccc1[O-])C1CCC1 ZINC001544328884 938144653 /nfs/dbraw/zinc/14/46/53/938144653.db2.gz KTBPLPJWIDPXQU-UHFFFAOYSA-N -1 1 267.756 3.449 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NC2CCC(C)(C)CC2)c1 ZINC001544543077 938145668 /nfs/dbraw/zinc/14/56/68/938145668.db2.gz QFSJZPWDAUMBKP-UHFFFAOYSA-N -1 1 289.375 3.212 20 0 CGADMM CC(C)c1ncsc1NC(=O)c1ccc(F)c([O-])c1 ZINC001556638637 938204852 /nfs/dbraw/zinc/20/48/52/938204852.db2.gz PUAROBHOZQHLEY-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001556810430 938205919 /nfs/dbraw/zinc/20/59/19/938205919.db2.gz KBNLMBMENCYLOI-WCQYABFASA-N -1 1 279.355 3.478 20 0 CGADMM C[C@H](C(=O)Nc1cc([O-])c(F)cc1F)c1ccco1 ZINC001556919459 938206578 /nfs/dbraw/zinc/20/65/78/938206578.db2.gz BGAWKCGVTLOIAZ-ZETCQYMHSA-N -1 1 267.231 3.006 20 0 CGADMM CC[C@@H](NC(=O)c1ncc2ccccc2c1[O-])[C@H]1CC1(C)C ZINC001557078813 938207582 /nfs/dbraw/zinc/20/75/82/938207582.db2.gz JYHKHURFUXFOGA-ZIAGYGMSSA-N -1 1 298.386 3.495 20 0 CGADMM Cc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])s1 ZINC001557086572 938207846 /nfs/dbraw/zinc/20/78/46/938207846.db2.gz WBYQGSANXCZKEP-UHFFFAOYSA-N -1 1 269.272 3.293 20 0 CGADMM Cc1cc(C)c2c(c1)N(C(=O)c1ccccc1[O-])CCO2 ZINC001557340915 938209355 /nfs/dbraw/zinc/20/93/55/938209355.db2.gz OIWKWUROXITJML-UHFFFAOYSA-N -1 1 283.327 3.048 20 0 CGADMM CCC(=O)c1ccc(NC(=O)c2c([O-])cccc2OC)cc1 ZINC001557495505 938210414 /nfs/dbraw/zinc/21/04/14/938210414.db2.gz VAIHAUVHVBQJQB-UHFFFAOYSA-N -1 1 299.326 3.246 20 0 CGADMM C[C@H](NC(=O)c1cccc([O-])c1F)[C@@]12C[C@@H]1CCCC2 ZINC001557927987 938212531 /nfs/dbraw/zinc/21/25/31/938212531.db2.gz WVZKSJZXHPEYAG-XMZIXOGTSA-N -1 1 277.339 3.230 20 0 CGADMM O=C(NCCC[C@H]1C=CCC1)c1cccc([O-])c1F ZINC001558198618 938214125 /nfs/dbraw/zinc/21/41/25/938214125.db2.gz VVTXGULWYARNEX-NSHDSACASA-N -1 1 263.312 3.008 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H](F)c1ccccc1 ZINC001558209640 938214135 /nfs/dbraw/zinc/21/41/35/938214135.db2.gz WEMHKCNWYNJINV-CQSZACIVSA-N -1 1 293.725 3.373 20 0 CGADMM O=C(Nc1c[nH]c2ccccc12)c1ccccc1[O-] ZINC001558557445 938216219 /nfs/dbraw/zinc/21/62/19/938216219.db2.gz QSUAGOBDVLHPND-UHFFFAOYSA-N -1 1 252.273 3.126 20 0 CGADMM CN(Cc1cccc(Cl)c1)Cc1cccc(C(=O)[O-])n1 ZINC000234295696 960348744 /nfs/dbraw/zinc/34/87/44/960348744.db2.gz JZSZYTVIJBYBJO-UHFFFAOYSA-N -1 1 290.750 3.065 20 0 CGADMM C[C@H](N[C@@H](C)c1cccs1)c1ccc(C(=O)[O-])o1 ZINC000235527614 960457053 /nfs/dbraw/zinc/45/70/53/960457053.db2.gz BYNCGSAJYXFJKB-IUCAKERBSA-N -1 1 265.334 3.451 20 0 CGADMM CCc1nc([C@H](C)NC(=O)c2cccc([O-])c2F)cs1 ZINC001565779301 960823890 /nfs/dbraw/zinc/82/38/90/960823890.db2.gz YQBCMPHHWGVQPQ-QMMMGPOBSA-N -1 1 294.351 3.041 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NCCCC(C)(C)C)c1 ZINC001565868253 960850586 /nfs/dbraw/zinc/85/05/86/960850586.db2.gz ROUQQXIOWMHLHE-UHFFFAOYSA-N -1 1 277.364 3.069 20 0 CGADMM CCc1cc(NC(=O)c2c([O-])cccc2OC)ccc1F ZINC001568801049 961645502 /nfs/dbraw/zinc/64/55/02/961645502.db2.gz JVGQJJRSNPDUHH-UHFFFAOYSA-N -1 1 289.306 3.355 20 0 CGADMM CC(=O)c1cccc(C(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001569010525 961662640 /nfs/dbraw/zinc/66/26/40/961662640.db2.gz CLAMJZPUCAKNHP-UHFFFAOYSA-N -1 1 291.253 3.125 20 0 CGADMM O=C(CCCc1cccnc1)Nc1cc([O-])c(F)cc1F ZINC001570103080 961904518 /nfs/dbraw/zinc/90/45/18/961904518.db2.gz BTELMRXZXGUYDO-UHFFFAOYSA-N -1 1 292.285 3.027 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1ncc(Cl)s1 ZINC001570102090 961904545 /nfs/dbraw/zinc/90/45/45/961904545.db2.gz QAJZXUNZJKEJTC-UHFFFAOYSA-N -1 1 290.678 3.033 20 0 CGADMM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1cc(F)ccc1[O-] ZINC001570329226 961942406 /nfs/dbraw/zinc/94/24/06/961942406.db2.gz PTHGDZJMEVPYDL-WCQYABFASA-N -1 1 277.339 3.087 20 0 CGADMM C[C@H](Sc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001580443986 962721712 /nfs/dbraw/zinc/72/17/12/962721712.db2.gz UCJJFKVEHXPDIQ-JTQLQIEISA-N -1 1 283.360 3.115 20 0 CGADMM C[C@H](Sc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001580443986 962721724 /nfs/dbraw/zinc/72/17/24/962721724.db2.gz UCJJFKVEHXPDIQ-JTQLQIEISA-N -1 1 283.360 3.115 20 0 CGADMM O=C(Nc1ccc2ncsc2c1)c1cccc([O-])c1F ZINC001584114132 962891752 /nfs/dbraw/zinc/89/17/52/962891752.db2.gz XWJYANSVVFLUHQ-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM Cc1cnc(C(=O)NCC[C@@H]2CCCC2(C)C)c([O-])c1 ZINC001585391576 963008423 /nfs/dbraw/zinc/00/84/23/963008423.db2.gz KWRPUTOMZCAXBX-LBPRGKRZSA-N -1 1 276.380 3.042 20 0 CGADMM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cccc([O-])c1F ZINC001586017380 963061751 /nfs/dbraw/zinc/06/17/51/963061751.db2.gz AVNAMXUVJVTMIC-OAHLLOKOSA-N -1 1 299.345 3.282 20 0 CGADMM O=C(NCC[C@@H]1CC=CCC1)c1ccc(F)c([O-])c1 ZINC001587349391 963185519 /nfs/dbraw/zinc/18/55/19/963185519.db2.gz JAGNQMXSJSLSPO-LLVKDONJSA-N -1 1 263.312 3.008 20 0 CGADMM O=C(CCOc1ccccc1F)Nc1cccc(F)c1[O-] ZINC001587389898 963188823 /nfs/dbraw/zinc/18/88/23/963188823.db2.gz SYSMJNYLYGAENP-UHFFFAOYSA-N -1 1 293.269 3.078 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cc2ccccc2c(=O)[nH]1 ZINC001587389197 963190234 /nfs/dbraw/zinc/19/02/34/963190234.db2.gz AWAQFKISJKHECB-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM CC(C)N(CCC(=O)[O-])Cc1ccsc1Cl ZINC000308355501 963270476 /nfs/dbraw/zinc/27/04/76/963270476.db2.gz ZBWCCXGLAMBRMJ-UHFFFAOYSA-N -1 1 261.774 3.087 20 0 CGADMM CC(C)(C)[C@@H](NCc1cnc(C(=O)[O-])cn1)c1ccccc1 ZINC001589721278 964019119 /nfs/dbraw/zinc/01/91/19/964019119.db2.gz ZNVQGYRSZVRWGX-HNNXBMFYSA-N -1 1 299.374 3.052 20 0 CGADMM Cc1ccc([C@H](C)NCc2nc(C(=O)[O-])cs2)s1 ZINC000393155757 972565131 /nfs/dbraw/zinc/56/51/31/972565131.db2.gz QLSBNSIPCADHBH-QMMMGPOBSA-N -1 1 282.390 3.062 20 0 CGADMM O=C([O-])c1cccc(CNCc2cc(O)cc(Cl)c2)c1 ZINC001606513525 974007389 /nfs/dbraw/zinc/00/73/89/974007389.db2.gz NAGTZZMCNJGTHX-UHFFFAOYSA-N -1 1 291.734 3.034 20 0 CGADMM CC[C@@H](NCc1ccc(F)cn1)c1ccc(C(=O)[O-])cc1 ZINC001595299722 980430213 /nfs/dbraw/zinc/43/02/13/980430213.db2.gz DBHGFOHFOKRUTD-OAHLLOKOSA-N -1 1 288.322 3.160 20 0 CGADMM CC[C@@H]1CN(Cc2ccc(C)c(C(=O)[O-])c2)C[C@@H](CC)O1 ZINC001595486922 981230182 /nfs/dbraw/zinc/23/01/82/981230182.db2.gz GIZCKFJEECWAGK-HUUCEWRRSA-N -1 1 291.391 3.083 20 0 CGADMM CC[C@H]1CN(Cc2ccc(C(=O)[O-])c(C)c2)C[C@H](CC)O1 ZINC001595488134 981234798 /nfs/dbraw/zinc/23/47/98/981234798.db2.gz NHBZLOABEIMBAO-GJZGRUSLSA-N -1 1 291.391 3.083 20 0 CGADMM CC[C@@H]1c2ccsc2CCN1Cc1ccc(C(=O)[O-])[nH]1 ZINC001595504842 981279915 /nfs/dbraw/zinc/27/99/15/981279915.db2.gz QELNCRWAVAXSAA-CYBMUJFWSA-N -1 1 290.388 3.284 20 0 CGADMM CCCc1nc(C)cc(OCc2ccns2)c1C(=O)[O-] ZINC001596090036 983414630 /nfs/dbraw/zinc/41/46/30/983414630.db2.gz RIHVVBGHRFHKMZ-UHFFFAOYSA-N -1 1 292.360 3.076 20 0 CGADMM CCN(Cc1ccsc1C(=O)[O-])Cc1occc1C ZINC001596377750 983887821 /nfs/dbraw/zinc/88/78/21/983887821.db2.gz FTZJWSDAUABJGW-UHFFFAOYSA-N -1 1 279.361 3.370 20 0 CGADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)CCC1(F)F ZINC001594535878 986149746 /nfs/dbraw/zinc/14/97/46/986149746.db2.gz BMXBVJKTGRUKCA-VIFPVBQESA-N -1 1 287.281 3.001 20 0 CGADMM CC(C)(C)c1coc(CNC2(CC(=O)[O-])CCCCC2)n1 ZINC001590527337 990142492 /nfs/dbraw/zinc/14/24/92/990142492.db2.gz ZMPIGOZUDXVKBR-UHFFFAOYSA-N -1 1 294.395 3.239 20 0 CGADMM CC(C)(CSc1nc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC001590820413 990656151 /nfs/dbraw/zinc/65/61/51/990656151.db2.gz NSHAEMOPJYEWIB-UHFFFAOYSA-N -1 1 284.768 3.419 20 0 CGADMM CC(C)C[C@@H]1CCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591211063 992051290 /nfs/dbraw/zinc/05/12/90/992051290.db2.gz ONALDXSKRMUKFP-QWRGUYRKSA-N -1 1 282.409 3.270 20 0 CGADMM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1ccsc1 ZINC001593199674 994179693 /nfs/dbraw/zinc/17/96/93/994179693.db2.gz YHSWEXBDWIMIKM-BDAKNGLRSA-N -1 1 265.334 3.451 20 0 CGADMM C[C@@H](N[C@@H](c1ccncc1)C1CC1)c1cc(C(=O)[O-])co1 ZINC001593210892 994257496 /nfs/dbraw/zinc/25/74/96/994257496.db2.gz TZBNKACONMNXPA-MEBBXXQBSA-N -1 1 286.331 3.175 20 0 CGADMM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1cc2c(cn1)CCCC2 ZINC001594184379 998715268 /nfs/dbraw/zinc/71/52/68/998715268.db2.gz JQDROLDYBDGPQK-JMSVASOKSA-N -1 1 288.391 3.262 20 0 CGADMM C[C@@H]1C[C@@H](N[C@H](CCC(=O)[O-])c2ccccc2)c2nccn21 ZINC001594261747 999012039 /nfs/dbraw/zinc/01/20/39/999012039.db2.gz QMBRBLHRADLKCO-BPLDGKMQSA-N -1 1 299.374 3.085 20 0 CGADMM Cc1cccc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1C ZINC000589689831 346808641 /nfs/dbraw/zinc/80/86/41/346808641.db2.gz FUPAVYJQZKYUAE-UHFFFAOYSA-N -1 1 297.383 3.429 20 0 CGADMM CC[C@@H](C)n1ncc(NC(=O)c2ccc([O-])cc2F)c1C ZINC000436596390 529443677 /nfs/dbraw/zinc/44/36/77/529443677.db2.gz LVGMWPYCKMMWCM-SECBINFHSA-N -1 1 291.326 3.260 20 0 CGADMM O=C(Nc1scnc1C1CC1)c1c(F)ccc([O-])c1F ZINC000622470231 349682156 /nfs/dbraw/zinc/68/21/56/349682156.db2.gz MAOFHGYDMRDFFN-UHFFFAOYSA-N -1 1 296.298 3.257 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cc(C)sc2C)n1 ZINC000195069677 529506780 /nfs/dbraw/zinc/50/67/80/529506780.db2.gz NCQKYKBLZNYNLF-UHFFFAOYSA-N -1 1 280.418 3.303 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2cc(F)ccc2[O-])cc1C ZINC000622671181 349693150 /nfs/dbraw/zinc/69/31/50/349693150.db2.gz CEPCUYKVFZNSKB-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cc(F)cc(F)c2)n1 ZINC000436243176 529567457 /nfs/dbraw/zinc/56/74/57/529567457.db2.gz OZNVWIKIMRKAAP-UHFFFAOYSA-N -1 1 282.315 3.315 20 0 CGADMM CCc1ccc(C(=O)N2CCc3cccc(C)c32)c([O-])c1 ZINC000436826633 529600711 /nfs/dbraw/zinc/60/07/11/529600711.db2.gz AZENEUVRQPXBEC-UHFFFAOYSA-N -1 1 281.355 3.466 20 0 CGADMM Cc1cccc(-c2nc3cccc(F)c3c(=O)[n-]2)c1 ZINC000591726566 346934312 /nfs/dbraw/zinc/93/43/12/346934312.db2.gz PIEZGEMGJGTGRB-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM CCc1nc(CNCc2c(C)cccc2C)ccc1C(=O)[O-] ZINC000426661715 529739924 /nfs/dbraw/zinc/73/99/24/529739924.db2.gz VMINDCKEXAZCJQ-UHFFFAOYSA-N -1 1 298.386 3.249 20 0 CGADMM CN(Cc1cc(F)cc(F)c1)C(=O)c1ccc([O-])cc1F ZINC000436902205 529979674 /nfs/dbraw/zinc/97/96/74/529979674.db2.gz PAHCBSQPJZYSGZ-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM Cc1ccc(CCNC(=O)c2cc3ccccc3cc2[O-])o1 ZINC000031420789 344926304 /nfs/dbraw/zinc/92/63/04/344926304.db2.gz LFZNGEBMMJNWDH-UHFFFAOYSA-N -1 1 295.338 3.419 20 0 CGADMM O=C([N-]c1cnoc1)c1occc1COc1ccccc1 ZINC000623940415 349922521 /nfs/dbraw/zinc/92/25/21/349922521.db2.gz FCQNSXRKLJBJGU-UHFFFAOYSA-N -1 1 284.271 3.099 20 0 CGADMM O=C([O-])c1occc1CN(Cc1cccs1)C1CC1 ZINC000049024473 345070581 /nfs/dbraw/zinc/07/05/81/345070581.db2.gz MRRLSUTXYDWCBH-UHFFFAOYSA-N -1 1 277.345 3.204 20 0 CGADMM C[C@@]1(C(=O)[O-])CCCN(Cc2c(F)cccc2Cl)C1 ZINC000062875901 345241129 /nfs/dbraw/zinc/24/11/29/345241129.db2.gz YKGCWHJASOCROZ-CQSZACIVSA-N -1 1 285.746 3.166 20 0 CGADMM Cc1ccc(Oc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000070237803 345390089 /nfs/dbraw/zinc/39/00/89/345390089.db2.gz VOYJHJWWKVLAOE-UHFFFAOYSA-N -1 1 277.345 3.159 20 0 CGADMM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1cccs1 ZINC000091780470 345823421 /nfs/dbraw/zinc/82/34/21/345823421.db2.gz UKDVPXPIMRYSJY-SECBINFHSA-N -1 1 265.334 3.232 20 0 CGADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1c(Cl)cccc1Cl ZINC000092940095 345863393 /nfs/dbraw/zinc/86/33/93/345863393.db2.gz DTHAFXOFPGMTOV-RKDXNWHRSA-N -1 1 288.174 3.288 20 0 CGADMM Cc1cccc([C@@H]2CCCN2C(=O)c2cncc([O-])c2)c1C ZINC000174531609 232303252 /nfs/dbraw/zinc/30/32/52/232303252.db2.gz NOBHDWGVKYLVQN-KRWDZBQOSA-N -1 1 296.370 3.381 20 0 CGADMM CN(Cc1cccc2ccccc21)C(=O)c1cncc([O-])c1 ZINC000171764883 346210708 /nfs/dbraw/zinc/21/07/08/346210708.db2.gz NKLJHVOPGRSGBZ-UHFFFAOYSA-N -1 1 292.338 3.213 20 0 CGADMM CN(Cc1csc2ccccc12)C(=O)c1cncc([O-])c1 ZINC000171863859 346211923 /nfs/dbraw/zinc/21/19/23/346211923.db2.gz XRQLHJGIOCQTMD-UHFFFAOYSA-N -1 1 298.367 3.274 20 0 CGADMM C[C@@H](c1ccc2ccccc2c1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000317033143 346486088 /nfs/dbraw/zinc/48/60/88/346486088.db2.gz VHOLLECMRJDNBU-SUMWQHHRSA-N -1 1 299.370 3.076 20 0 CGADMM CSC1CCN(Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000394456070 346576854 /nfs/dbraw/zinc/57/68/54/346576854.db2.gz JEJCDJYDHQKKEK-UHFFFAOYSA-N -1 1 299.823 3.366 20 0 CGADMM CSCC1(Cc2noc(-c3ccc([O-])cc3F)n2)CC1 ZINC000596609780 347488770 /nfs/dbraw/zinc/48/87/70/347488770.db2.gz WIKCQYGNIPCJLT-UHFFFAOYSA-N -1 1 294.351 3.267 20 0 CGADMM CSCCCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000601086722 347867486 /nfs/dbraw/zinc/86/74/86/347867486.db2.gz BJJVFRCCIULIRD-UHFFFAOYSA-N -1 1 270.423 3.213 20 0 CGADMM Cc1ccc2oc(C(=O)Nc3c([O-])cccc3F)cc2n1 ZINC000608365942 348301156 /nfs/dbraw/zinc/30/11/56/348301156.db2.gz DDBOKEUNMLSBIY-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM C[C@@H](C(=O)Nc1c([O-])cccc1F)c1cccc(F)c1 ZINC000608365267 348301514 /nfs/dbraw/zinc/30/15/14/348301514.db2.gz DTSQRLNGZQVKOJ-SECBINFHSA-N -1 1 277.270 3.413 20 0 CGADMM CC(C)c1ccc(C(=O)N2CCc3ccncc32)c([O-])c1 ZINC000273469605 192164093 /nfs/dbraw/zinc/16/40/93/192164093.db2.gz HXNCTBHAPFQENM-UHFFFAOYSA-N -1 1 282.343 3.114 20 0 CGADMM CC(=O)[C@@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000615586103 348750965 /nfs/dbraw/zinc/75/09/65/348750965.db2.gz QBKZDMVXOBRNEF-INIZCTEOSA-N -1 1 297.354 3.129 20 0 CGADMM O=C(Nc1cncc2c1CCCC2)c1ccc([O-])c(F)c1 ZINC000617100936 348918372 /nfs/dbraw/zinc/91/83/72/348918372.db2.gz LASYGMMFVHTTCD-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H](C2CCC2)C1 ZINC000620206945 349338786 /nfs/dbraw/zinc/33/87/86/349338786.db2.gz UFWDKWRPAJVOJW-ZDUSSCGKSA-N -1 1 277.339 3.184 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N(CCC1CC1)CC1CC1 ZINC000620631893 349401406 /nfs/dbraw/zinc/40/14/06/349401406.db2.gz LHRGIVCPMZRZKZ-UHFFFAOYSA-N -1 1 295.329 3.323 20 0 CGADMM CCO[C@H](CSc1nc(C(F)F)cc(=O)[n-]1)C1CC1 ZINC000629183756 350665417 /nfs/dbraw/zinc/66/54/17/350665417.db2.gz UCVGEUTVWPXJDP-SECBINFHSA-N -1 1 290.335 3.027 20 0 CGADMM CC1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCCCC1 ZINC000629378746 350685071 /nfs/dbraw/zinc/68/50/71/350685071.db2.gz JBXOXBIOIFRJAJ-UHFFFAOYSA-N -1 1 299.374 3.487 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC1CCCCCC1 ZINC000630417447 350838439 /nfs/dbraw/zinc/83/84/39/350838439.db2.gz KATAVSJQCMHFIR-UHFFFAOYSA-N -1 1 281.783 3.427 20 0 CGADMM CCCCN(CC)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630435411 350839852 /nfs/dbraw/zinc/83/98/52/350839852.db2.gz UOUNEPZGQOBWFF-UHFFFAOYSA-N -1 1 269.772 3.237 20 0 CGADMM Cc1nc(SCC(=O)CC(C)(C)C)[n-]c(=O)c1C1CC1 ZINC000631023126 350926753 /nfs/dbraw/zinc/92/67/53/350926753.db2.gz IOIUGMIUCUBXJS-UHFFFAOYSA-N -1 1 294.420 3.465 20 0 CGADMM Cc1ncccc1CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023070 350927078 /nfs/dbraw/zinc/92/70/78/350927078.db2.gz GQJUMELSIQOMPZ-UHFFFAOYSA-N -1 1 287.388 3.364 20 0 CGADMM CC(C)[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630830235 350895737 /nfs/dbraw/zinc/89/57/37/350895737.db2.gz AXXZLFALESRKQT-ZDUSSCGKSA-N -1 1 281.783 3.235 20 0 CGADMM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000632170582 351176828 /nfs/dbraw/zinc/17/68/28/351176828.db2.gz ZDKRWDHSZJROSD-MRVPVSSYSA-N -1 1 293.335 3.074 20 0 CGADMM CC(C)[C@@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000631730964 351130220 /nfs/dbraw/zinc/13/02/20/351130220.db2.gz FSKVOSVMSKUYOA-GFCCVEGCSA-N -1 1 281.783 3.093 20 0 CGADMM O=S(=O)([N-]CCCC1CCC1)c1ccc(C(F)F)o1 ZINC000632560265 351205170 /nfs/dbraw/zinc/20/51/70/351205170.db2.gz SQQQJPWJEWVECS-UHFFFAOYSA-N -1 1 293.335 3.076 20 0 CGADMM C[C@@H]1CC2(CCC2)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632764568 351213696 /nfs/dbraw/zinc/21/36/96/351213696.db2.gz UBDPPKSELQYKEW-LLVKDONJSA-N -1 1 293.794 3.379 20 0 CGADMM CC1=C[C@@H](C)CN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000632847648 351223905 /nfs/dbraw/zinc/22/39/05/351223905.db2.gz GYRFZWPIHAQUCG-SNVBAGLBSA-N -1 1 279.767 3.013 20 0 CGADMM CC[C@@H](C)CCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633614947 351332779 /nfs/dbraw/zinc/33/27/79/351332779.db2.gz RLQZVSUBJGVYFA-SNVBAGLBSA-N -1 1 269.772 3.141 20 0 CGADMM CC[C@@](C)(NC(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000633635348 351337125 /nfs/dbraw/zinc/33/71/25/351337125.db2.gz IOCDHAJDVOZIDD-OAHLLOKOSA-N -1 1 281.783 3.283 20 0 CGADMM CCCCc1cc(=O)n(-c2ccc(OCC)cc2)[n-]1 ZINC000634589280 351527588 /nfs/dbraw/zinc/52/75/88/351527588.db2.gz UIZWEAMPITWSCT-UHFFFAOYSA-N -1 1 260.337 3.368 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(Br)cc2F)c1=O ZINC000634594189 351529853 /nfs/dbraw/zinc/52/98/53/351529853.db2.gz NXQVPGCMWADZMY-SECBINFHSA-N -1 1 299.143 3.337 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3nccc4sccc43)c(=O)c21 ZINC000634596689 351532966 /nfs/dbraw/zinc/53/29/66/351532966.db2.gz NNNYQPKKCLCJKY-UFBFGSQYSA-N -1 1 271.345 3.045 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3cccc(Cl)c3)c(=O)c2C1 ZINC000634604875 351538531 /nfs/dbraw/zinc/53/85/31/351538531.db2.gz VKZBYZONQLSCQO-ZWNOBZJWSA-N -1 1 276.767 3.474 20 0 CGADMM C[C@@H](n1[n-]c2c(c1=O)CCCc1ccccc1-2)C(F)(F)F ZINC000634630635 351552622 /nfs/dbraw/zinc/55/26/22/351552622.db2.gz AWWNQMRJVJIIIH-SKDRFNHKSA-N -1 1 296.292 3.136 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccccc3OC(F)(F)F)c(=O)c21 ZINC000634614378 351543354 /nfs/dbraw/zinc/54/33/54/351543354.db2.gz AYVKVVIIICNCPQ-QPUJVOFHSA-N -1 1 298.264 3.334 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(OC)c(Cl)c2)c1=O ZINC000634614725 351543609 /nfs/dbraw/zinc/54/36/09/351543609.db2.gz LMMCPWYIKMZNFU-SNVBAGLBSA-N -1 1 266.728 3.097 20 0 CGADMM COc1ccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)cc1Cl ZINC000634614975 351544061 /nfs/dbraw/zinc/54/40/61/351544061.db2.gz UEGFSSNSOBLETR-OQPBUACISA-N -1 1 278.739 3.097 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(Cl)c(F)c3)c(=O)c21 ZINC000634616114 351545222 /nfs/dbraw/zinc/54/52/22/351545222.db2.gz BDHULGLYZAQGBO-JMCQJSRRSA-N -1 1 266.703 3.228 20 0 CGADMM CCCc1[n-]n([C@@H](C)c2ccncc2)c(=O)c1CC ZINC000634626501 351550770 /nfs/dbraw/zinc/55/07/70/351550770.db2.gz GHRJCWVAGJPHRG-AAEUAGOBSA-N -1 1 259.353 3.167 20 0 CGADMM C[C@H](n1[n-]c2c(c1=O)CCCc1ccccc1-2)C(F)(F)F ZINC000634630634 351553182 /nfs/dbraw/zinc/55/31/82/351553182.db2.gz AWWNQMRJVJIIIH-JOYOIKCWSA-N -1 1 296.292 3.136 20 0 CGADMM CCCc1c(C)[n-]n(CCCOCc2ccccc2)c1=O ZINC000634635164 351555086 /nfs/dbraw/zinc/55/50/86/351555086.db2.gz XRYHRBVGNPKZKL-MRXNPFEDSA-N -1 1 288.391 3.228 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCC=CCC1 ZINC000635272081 351648838 /nfs/dbraw/zinc/64/88/38/351648838.db2.gz VJDMCWPDJXLHIE-UHFFFAOYSA-N -1 1 297.358 3.467 20 0 CGADMM Cc1cc(C(=O)[N-]c2cc(Cl)cc(F)c2F)on1 ZINC000336487187 213360354 /nfs/dbraw/zinc/36/03/54/213360354.db2.gz PVWSXNGGYAXLSV-UHFFFAOYSA-N -1 1 272.638 3.167 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CCC2(CCCC2)C1 ZINC000367668345 234240634 /nfs/dbraw/zinc/24/06/34/234240634.db2.gz HFHSVMVSRZSNLR-UHFFFAOYSA-N -1 1 281.302 3.077 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](c2ccco2)C1 ZINC000369238357 234365322 /nfs/dbraw/zinc/36/53/22/234365322.db2.gz ROHCBPPVCDPKOR-JTQLQIEISA-N -1 1 291.734 3.268 20 0 CGADMM CSc1ccc(C)c(NC(=O)c2cncc([O-])c2)c1 ZINC000336383432 213239445 /nfs/dbraw/zinc/23/94/45/213239445.db2.gz VYQDBGGSNSMVKL-UHFFFAOYSA-N -1 1 274.345 3.070 20 0 CGADMM CN(C(=O)c1cc(F)ccc1[O-])c1ccc(F)c(F)c1 ZINC000336367288 213218829 /nfs/dbraw/zinc/21/88/29/213218829.db2.gz WKNUMWKDIAPNIG-UHFFFAOYSA-N -1 1 281.233 3.086 20 0 CGADMM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340327934 215541620 /nfs/dbraw/zinc/54/16/20/215541620.db2.gz HAERGTBHQDISMF-SECBINFHSA-N -1 1 293.269 3.076 20 0 CGADMM C[C@H](C(=O)[N-]OCC1CC1)c1cccc(Br)c1 ZINC000293776022 198768600 /nfs/dbraw/zinc/76/86/00/198768600.db2.gz NEQKTPIOXRHYSL-VIFPVBQESA-N -1 1 298.180 3.010 20 0 CGADMM Cc1cc(Cl)ccc1CNCc1cc(C(=O)[O-])co1 ZINC000426688088 236306588 /nfs/dbraw/zinc/30/65/88/236306588.db2.gz ODGZFBOERDZUBC-UHFFFAOYSA-N -1 1 279.723 3.229 20 0 CGADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(C)c(F)c2)o1 ZINC000426784330 236313384 /nfs/dbraw/zinc/31/33/84/236313384.db2.gz QOYZFGLACCBCRR-AWEZNQCLSA-N -1 1 291.322 3.341 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2ccc(F)cc2)[n-]1 ZINC000436239751 237053225 /nfs/dbraw/zinc/05/32/25/237053225.db2.gz JCDXNQBFYOOIBS-UHFFFAOYSA-N -1 1 276.336 3.491 20 0 CGADMM O=C(NC1(C(F)F)CCCCC1)c1cc(F)ccc1[O-] ZINC000436854290 237195672 /nfs/dbraw/zinc/19/56/72/237195672.db2.gz GOQGAHHMKJBYBJ-UHFFFAOYSA-N -1 1 287.281 3.229 20 0 CGADMM O=C(NCC(F)(F)c1ccccc1)c1ccc([O-])cc1F ZINC000436931739 237214373 /nfs/dbraw/zinc/21/43/73/237214373.db2.gz LYUUJVZHBQQOLU-UHFFFAOYSA-N -1 1 295.260 3.053 20 0 CGADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297196578 200111831 /nfs/dbraw/zinc/11/18/31/200111831.db2.gz LEYLEMLMRSWBRH-HUUCEWRRSA-N -1 1 296.370 3.196 20 0 CGADMM CC[C@@H](O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000298199394 200358289 /nfs/dbraw/zinc/35/82/89/200358289.db2.gz ICQYBXYXPDKYGR-GFCCVEGCSA-N -1 1 290.388 3.021 20 0 CGADMM Cc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000120001478 370730751 /nfs/dbraw/zinc/73/07/51/370730751.db2.gz GWIACJRGRQLUAG-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C1 ZINC000451432779 240301256 /nfs/dbraw/zinc/30/12/56/240301256.db2.gz LTUXQMLGEDUECD-SKDRFNHKSA-N -1 1 297.351 3.039 20 0 CGADMM Oc1cccc(C[NH+]2CC3(C2)CCCC3)c1Cl ZINC000459568349 242133456 /nfs/dbraw/zinc/13/34/56/242133456.db2.gz WPYWFKOLTGHPGE-UHFFFAOYSA-N -1 1 251.757 3.422 20 0 CGADMM O=C(NCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000017356065 368731980 /nfs/dbraw/zinc/73/19/80/368731980.db2.gz HGCOHDNNHKHJAJ-UHFFFAOYSA-N -1 1 277.323 3.475 20 0 CGADMM O=C([O-])[C@H](NCc1ccccc1Cl)c1ccccc1 ZINC000019787871 368766208 /nfs/dbraw/zinc/76/62/08/368766208.db2.gz WCOXDSWCXXILHX-CQSZACIVSA-N -1 1 275.735 3.256 20 0 CGADMM CN(Cc1cccs1)C(=O)c1cc(Cl)ccc1[O-] ZINC000035122211 368998640 /nfs/dbraw/zinc/99/86/40/368998640.db2.gz AUHQGUSKXJJPBX-UHFFFAOYSA-N -1 1 281.764 3.379 20 0 CGADMM O=C([O-])C[C@H]1CCCN1Cc1ccc(Cl)cc1Cl ZINC000042163702 369202766 /nfs/dbraw/zinc/20/27/66/369202766.db2.gz VJRABCLPKYZXIQ-LLVKDONJSA-N -1 1 288.174 3.433 20 0 CGADMM Cc1cc(C)cc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000075913752 369922615 /nfs/dbraw/zinc/92/26/15/369922615.db2.gz PCTKQNZIABEVHH-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CCc1c(C)[n-]n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000100216825 370274137 /nfs/dbraw/zinc/27/41/37/370274137.db2.gz UDPMHGIGDBBDLN-LLVKDONJSA-N -1 1 270.254 3.454 20 0 CGADMM O=C(Nc1ccc2[nH]ccc2c1)c1cc(-c2ccco2)n[nH]1 ZINC000112861105 370455005 /nfs/dbraw/zinc/45/50/05/370455005.db2.gz WNJCBSIEQZEEQB-UHFFFAOYSA-N -1 1 292.298 3.403 20 0 CGADMM CCCCO[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129606541 370994777 /nfs/dbraw/zinc/99/47/77/370994777.db2.gz PKQPBEBUMCWRTN-SECBINFHSA-N -1 1 271.744 3.189 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(F)cc2)no1 ZINC000132981483 371217847 /nfs/dbraw/zinc/21/78/47/371217847.db2.gz VWCHGOLICXPUPP-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM Cc1ccc([C@H](C)NCc2cccc(C(=O)[O-])c2)o1 ZINC000235516966 189828675 /nfs/dbraw/zinc/82/86/75/189828675.db2.gz REPAETPMQLWJKN-NSHDSACASA-N -1 1 259.305 3.137 20 0 CGADMM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000133317476 371242618 /nfs/dbraw/zinc/24/26/18/371242618.db2.gz VMHGCKFLXRLUEA-ZANVPECISA-N -1 1 253.729 3.420 20 0 CGADMM O=C(CCc1ccccn1)Nc1ccc([O-])c(Cl)c1 ZINC000135996087 371455720 /nfs/dbraw/zinc/45/57/20/371455720.db2.gz IYYIRDBIVVHFJX-UHFFFAOYSA-N -1 1 276.723 3.012 20 0 CGADMM COC[C@]1(C)CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000294119040 372586007 /nfs/dbraw/zinc/58/60/07/372586007.db2.gz DKRNHDMTEZGLRH-GOSISDBHSA-N -1 1 299.370 3.044 20 0 CGADMM CC(C)(CCNC(=O)c1ccc([O-])cc1F)C1CC1 ZINC000294325994 372650316 /nfs/dbraw/zinc/65/03/16/372650316.db2.gz YRAPNGZZYSNTFH-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM CCc1cc(=O)[n-]c(C[N@@H+]2CCC[C@@H]2C(C)(C)CC)n1 ZINC000441641171 373030645 /nfs/dbraw/zinc/03/06/45/373030645.db2.gz CCNJPALPDVDCBA-CYBMUJFWSA-N -1 1 277.412 3.145 20 0 CGADMM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc([O-])c(Cl)c2)O1 ZINC000173379598 373133835 /nfs/dbraw/zinc/13/38/35/373133835.db2.gz FBQLWVRRMPVWFL-KOLCDFICSA-N -1 1 283.755 3.332 20 0 CGADMM O=c1nc([C@H]2CCCO2)[n-]c2sc3ccccc3c21 ZINC000446995184 373394809 /nfs/dbraw/zinc/39/48/09/373394809.db2.gz CTHLBQHPWACKDO-SECBINFHSA-N -1 1 272.329 3.402 20 0 CGADMM O=C(N[C@H]1CC12CCCCC2)c1c(F)ccc([O-])c1F ZINC000289545569 197396771 /nfs/dbraw/zinc/39/67/71/197396771.db2.gz XCZWWUOITSEQAH-NSHDSACASA-N -1 1 281.302 3.123 20 0 CGADMM CC(=O)c1[n-]c(=N[C@@H](C)c2ccccc2)sc1C ZINC000450209855 373998794 /nfs/dbraw/zinc/99/87/94/373998794.db2.gz YOYYZUYKGKVBJE-VIFPVBQESA-N -1 1 260.362 3.249 20 0 CGADMM COc1cccc([C@@H](C)N=c2[n-]c(C(C)=O)c(C)s2)c1 ZINC000450271576 374033308 /nfs/dbraw/zinc/03/33/08/374033308.db2.gz RJYZTIFHCOCOIM-SECBINFHSA-N -1 1 290.388 3.258 20 0 CGADMM CC[C@@H](N=c1[n-]c(C(C)=O)c(C)s1)c1c(C)noc1C ZINC000450410002 374110078 /nfs/dbraw/zinc/11/00/78/374110078.db2.gz YKVFXEJJJBIRHL-LLVKDONJSA-N -1 1 293.392 3.244 20 0 CGADMM C[C@@H]1SCC[N@@H+](CCCCC(=O)[O-])[C@H]1c1ccccc1 ZINC000181566438 374141176 /nfs/dbraw/zinc/14/11/76/374141176.db2.gz QCQNMASVYOGGHA-XJKSGUPXSA-N -1 1 293.432 3.420 20 0 CGADMM CCC[C@@H](N=c1nc([C@H](C)OC)[n-]s1)C(C)(C)C ZINC000450712615 374174500 /nfs/dbraw/zinc/17/45/00/374174500.db2.gz WDIOGHJUAZDSBM-VHSXEESVSA-N -1 1 271.430 3.294 20 0 CGADMM CNc1snc(C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182868064 374337244 /nfs/dbraw/zinc/33/72/44/374337244.db2.gz SBEGHGALJKINCG-UHFFFAOYSA-N -1 1 297.767 3.105 20 0 CGADMM Cc1cnc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c([O-])c1 ZINC000331203879 374512752 /nfs/dbraw/zinc/51/27/52/374512752.db2.gz OABDTSQCPZVPPW-DZGCQCFKSA-N -1 1 296.370 3.114 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1nc2ccccc2s1 ZINC000092551464 541976113 /nfs/dbraw/zinc/97/61/13/541976113.db2.gz AJVCIPFEKFENIQ-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM CCC(C)(C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456780045 374619703 /nfs/dbraw/zinc/61/97/03/374619703.db2.gz IFUIJRGKIOCNKX-UHFFFAOYSA-N -1 1 257.280 3.435 20 0 CGADMM Cc1cc(F)c(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000335444048 375298111 /nfs/dbraw/zinc/29/81/11/375298111.db2.gz QGTARYWNWUQQCT-MNOVXSKESA-N -1 1 299.773 3.330 20 0 CGADMM CCc1nc(NC(=O)c2c(F)ccc([O-])c2F)sc1C ZINC000336572331 375841328 /nfs/dbraw/zinc/84/13/28/375841328.db2.gz CHZJNSPDAWWLNO-UHFFFAOYSA-N -1 1 298.314 3.250 20 0 CGADMM CCc1ccc(CSc2nc(C(=O)OC)c[n-]2)cc1 ZINC000193537861 375893377 /nfs/dbraw/zinc/89/33/77/375893377.db2.gz AHELDFCGDQILIS-UHFFFAOYSA-N -1 1 276.361 3.051 20 0 CGADMM Cc1nc(SCc2ccc(F)c(F)c2)[n-]c(=O)c1C ZINC000537414845 376169265 /nfs/dbraw/zinc/16/92/65/376169265.db2.gz WCHZMIWONAHHQY-UHFFFAOYSA-N -1 1 282.315 3.370 20 0 CGADMM CCN(C(=O)c1ccc(O)cc1[O-])c1cccc(C)c1 ZINC000220981701 376211574 /nfs/dbraw/zinc/21/15/74/376211574.db2.gz YEVLGVNJOKWSMQ-UHFFFAOYSA-N -1 1 271.316 3.073 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C(=O)c1ccc(F)cc1 ZINC000541721972 376473267 /nfs/dbraw/zinc/47/32/67/376473267.db2.gz ZQUYHZQEZNIOHD-UHFFFAOYSA-N -1 1 293.681 3.006 20 0 CGADMM CC[C@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000231329434 376555665 /nfs/dbraw/zinc/55/56/65/376555665.db2.gz WHNVTAUPBHBWGA-JTQLQIEISA-N -1 1 298.180 3.169 20 0 CGADMM C[C@@H]1CN(Cc2cc(Cl)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000235345166 376639190 /nfs/dbraw/zinc/63/91/90/376639190.db2.gz JOYBWCCHNRJNGV-LDYMZIIASA-N -1 1 288.174 3.146 20 0 CGADMM CC(C)C[C@H](NC(=O)c1cncc([O-])c1)c1cccs1 ZINC000339811622 376856349 /nfs/dbraw/zinc/85/63/49/376856349.db2.gz DWFBZKRZBODIBV-ZDUSSCGKSA-N -1 1 290.388 3.366 20 0 CGADMM C[C@@H]1CC[C@H](Sc2nc(C(F)(F)F)cc(=O)[n-]2)C1 ZINC000558825388 377046179 /nfs/dbraw/zinc/04/61/79/377046179.db2.gz IDDDIBWODNSXEI-RQJHMYQMSA-N -1 1 278.299 3.482 20 0 CGADMM O=C(CCC(=O)c1cccs1)Nc1ccc(F)cc1[O-] ZINC000340328743 377005375 /nfs/dbraw/zinc/00/53/75/377005375.db2.gz CKBZZGDFBUVROW-UHFFFAOYSA-N -1 1 293.319 3.194 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cn1 ZINC000340331873 377007846 /nfs/dbraw/zinc/00/78/46/377007846.db2.gz CQBOXHZZDOFKNJ-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM [O-]c1c(-c2nc([C@@H]3CCOC3)no2)ccc2ccccc21 ZINC000087810123 249024332 /nfs/dbraw/zinc/02/43/32/249024332.db2.gz XJYQKNMEQKQDDR-LLVKDONJSA-N -1 1 282.299 3.099 20 0 CGADMM Cc1cscc1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000094879062 249043120 /nfs/dbraw/zinc/04/31/20/249043120.db2.gz LTJICVZICGCDRB-UHFFFAOYSA-N -1 1 281.764 3.346 20 0 CGADMM O=C(Nc1cncc(F)c1)c1cc2ccccc2cc1[O-] ZINC000313820879 249093127 /nfs/dbraw/zinc/09/31/27/249093127.db2.gz AYQLLNVNXAICSU-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM C[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)[C@H]1C ZINC000253544513 377696951 /nfs/dbraw/zinc/69/69/51/377696951.db2.gz ACOQLCGZJMBDHL-UWVGGRQHSA-N -1 1 277.393 3.017 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccc4c(c3)CCO4)n2)c(F)c1 ZINC000575241776 377764461 /nfs/dbraw/zinc/76/44/61/377764461.db2.gz DWDOYRKWUYELRZ-UHFFFAOYSA-N -1 1 298.273 3.183 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccsc1Cl ZINC000263494038 377940964 /nfs/dbraw/zinc/94/09/64/377940964.db2.gz JDEQYWDVAQNCBG-PSASIEDQSA-N -1 1 273.785 3.087 20 0 CGADMM C[C@@H]([N-]C(=O)C(F)(F)F)C(C)(C)c1ccccc1 ZINC000264173844 377961601 /nfs/dbraw/zinc/96/16/01/377961601.db2.gz KDZNPVTVWSXXPM-SECBINFHSA-N -1 1 259.271 3.031 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2c(F)ccc([O-])c2F)[C@H](C)C1 ZINC000578630153 378086867 /nfs/dbraw/zinc/08/68/67/378086867.db2.gz UAEWLPDVONBELY-KKZNHRDASA-N -1 1 283.318 3.225 20 0 CGADMM Cc1ccc(C)c(CN(C)Cc2cc(C(=O)[O-])co2)c1 ZINC000579842765 378201969 /nfs/dbraw/zinc/20/19/69/378201969.db2.gz OIYSVLNQFYSGTR-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM Cc1ccc(C(=O)CSc2nc(C)c(C)c(=O)[n-]2)s1 ZINC000346732237 218000695 /nfs/dbraw/zinc/00/06/95/218000695.db2.gz YFQZLGDLFHKUEF-UHFFFAOYSA-N -1 1 294.401 3.144 20 0 CGADMM CC[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000348461161 378959918 /nfs/dbraw/zinc/95/99/18/378959918.db2.gz BJSJVISEIJEYGG-SNVBAGLBSA-N -1 1 283.318 3.323 20 0 CGADMM Cc1ccc(F)cc1NC(=O)c1cn[nH]c1-c1ccncc1 ZINC000349326201 379231311 /nfs/dbraw/zinc/23/13/11/379231311.db2.gz TWLPVZBHZWNOQI-UHFFFAOYSA-N -1 1 296.305 3.172 20 0 CGADMM C/C(=C/c1nc(-c2ccc([O-])c(F)c2)no1)C1CC1 ZINC000278093092 379291214 /nfs/dbraw/zinc/29/12/14/379291214.db2.gz HIXOGQYJRNOHSG-VURMDHGXSA-N -1 1 260.268 3.395 20 0 CGADMM CO[C@H](C)CCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278233924 379324289 /nfs/dbraw/zinc/32/42/89/379324289.db2.gz RWQOABKWMIKTTN-MRVPVSSYSA-N -1 1 282.727 3.063 20 0 CGADMM [O-]c1ccc(-c2noc(C(C3CC3)C3CC3)n2)cc1F ZINC000278242221 379325509 /nfs/dbraw/zinc/32/55/09/379325509.db2.gz SKIMBJLPGVAMCV-UHFFFAOYSA-N -1 1 274.295 3.485 20 0 CGADMM O=C(Nc1ccc(Cl)cc1)c1csc(=NC2CC2)[n-]1 ZINC000349807129 379395079 /nfs/dbraw/zinc/39/50/79/379395079.db2.gz MSQRAJXRFZBGNJ-UHFFFAOYSA-N -1 1 293.779 3.045 20 0 CGADMM CSCCO[N-]C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000280033509 379586381 /nfs/dbraw/zinc/58/63/81/379586381.db2.gz ORBHWYSUOKEMHG-LBPRGKRZSA-N -1 1 289.400 3.354 20 0 CGADMM O=C([N-][C@H]1CCOc2c(Cl)c(Cl)ccc21)C(F)F ZINC000377097964 379633021 /nfs/dbraw/zinc/63/30/21/379633021.db2.gz PLSCSRBPVJNMDF-ZETCQYMHSA-N -1 1 296.100 3.198 20 0 CGADMM CCC[C@H](CNC(=O)c1ccc2ccccc2c1[O-])OC ZINC000378782284 379857739 /nfs/dbraw/zinc/85/77/39/379857739.db2.gz OINMLICOOBVVFI-CYBMUJFWSA-N -1 1 287.359 3.090 20 0 CGADMM CCCC1CCC(N=c2nc([C@@H](C)OC)[n-]s2)CC1 ZINC000388298966 379884263 /nfs/dbraw/zinc/88/42/63/379884263.db2.gz ZYIHEJNAQIKNPI-VOMCLLRMSA-N -1 1 283.441 3.438 20 0 CGADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])C(F)(F)F ZINC000389524919 379901108 /nfs/dbraw/zinc/90/11/08/379901108.db2.gz KTMYOKAIPZDBOP-QMMMGPOBSA-N -1 1 283.249 3.226 20 0 CGADMM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cncc([O-])c1 ZINC000283320163 380054531 /nfs/dbraw/zinc/05/45/31/380054531.db2.gz FNGXVFZIPURMLX-MRXNPFEDSA-N -1 1 284.359 3.257 20 0 CGADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1Cc1ccccc1 ZINC000275392389 296305309 /nfs/dbraw/zinc/30/53/09/296305309.db2.gz XOSOGRVMKUXCGB-OAHLLOKOSA-N -1 1 296.370 3.025 20 0 CGADMM O=C(NC(C1CCC1)C1CCC1)c1ccc([O-])cc1F ZINC000286368893 380204293 /nfs/dbraw/zinc/20/42/93/380204293.db2.gz CYOINKPWXBWPNM-UHFFFAOYSA-N -1 1 277.339 3.230 20 0 CGADMM C[C@@H]1CCCC[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000644689217 380485061 /nfs/dbraw/zinc/48/50/61/380485061.db2.gz UBLSLLCSLHNILB-ZJUUUORDSA-N -1 1 251.301 3.296 20 0 CGADMM Cc1ccc(CN(C(=O)c2cncc([O-])c2)C(C)C)s1 ZINC000279120110 194292878 /nfs/dbraw/zinc/29/28/78/194292878.db2.gz AHWDGMKCVZUBIA-UHFFFAOYSA-N -1 1 290.388 3.208 20 0 CGADMM Cc1csc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])n1 ZINC000417563024 380640445 /nfs/dbraw/zinc/64/04/45/380640445.db2.gz MXIMNYKLJPFVBX-RISCZKNCSA-N -1 1 290.388 3.003 20 0 CGADMM CC(C)CCn1ccc(NCc2cccc([O-])c2Cl)n1 ZINC000645163894 380600777 /nfs/dbraw/zinc/60/07/77/380600777.db2.gz QQCBYIMEDQHLJO-UHFFFAOYSA-N -1 1 293.798 3.322 20 0 CGADMM CCc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)o1 ZINC000417665856 380663576 /nfs/dbraw/zinc/66/35/76/380663576.db2.gz DOMCAVCUNBRZHO-UHFFFAOYSA-N -1 1 273.332 3.138 20 0 CGADMM CO[C@@]1(C)CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000279343189 194392598 /nfs/dbraw/zinc/39/25/98/194392598.db2.gz FUGOWGPHKZIZGU-SFHVURJKSA-N -1 1 299.370 3.187 20 0 CGADMM CCOC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCCC1 ZINC000289152340 197247626 /nfs/dbraw/zinc/24/76/26/197247626.db2.gz TWTNHIUVPHEQGI-UHFFFAOYSA-N -1 1 292.310 3.387 20 0 CGADMM CSCC(C)(C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000289142637 197244313 /nfs/dbraw/zinc/24/43/13/197244313.db2.gz SCZDNEGJOQHOMI-UHFFFAOYSA-N -1 1 282.340 3.222 20 0 CGADMM O=C([O-])C[C@@H]1CCCCN1Cc1ccsc1Cl ZINC000308357077 542422647 /nfs/dbraw/zinc/42/26/47/542422647.db2.gz ORLPGOBXZGOQSH-JTQLQIEISA-N -1 1 273.785 3.231 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000281277714 195177565 /nfs/dbraw/zinc/17/75/65/195177565.db2.gz GFGVEDUYCLCMNK-SSDOTTSWSA-N -1 1 284.237 3.484 20 0 CGADMM COc1ccc2nc(-c3cc(C)cc(C)n3)[n-]c(=O)c2c1 ZINC000357069709 542574164 /nfs/dbraw/zinc/57/41/64/542574164.db2.gz TVYRKEMQYGTRTH-UHFFFAOYSA-N -1 1 281.315 3.023 20 0 CGADMM COc1cc(-c2nc3cccc(C)c3c(=O)[n-]2)ccc1O ZINC000436595664 533454800 /nfs/dbraw/zinc/45/48/00/533454800.db2.gz MMWARQSZNRFODG-UHFFFAOYSA-N -1 1 282.299 3.025 20 0 CGADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C)ccc2F)c1 ZINC000048653278 392007262 /nfs/dbraw/zinc/00/72/62/392007262.db2.gz PHLWUDAAVQXIQK-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CCOc1ccc([N-]S(=O)(=O)c2ccccc2)cc1F ZINC000048655961 392007296 /nfs/dbraw/zinc/00/72/96/392007296.db2.gz XRARYPLBERPCPI-UHFFFAOYSA-N -1 1 295.335 3.025 20 0 CGADMM O=C(Nc1cc(F)c(F)cc1F)c1ccccc1[O-] ZINC000061094610 392125861 /nfs/dbraw/zinc/12/58/61/392125861.db2.gz NUIVJFFNQWGEHP-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM COc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)c([O-])c1 ZINC000061120408 392125873 /nfs/dbraw/zinc/12/58/73/392125873.db2.gz OPMFRZADEOHBSO-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM CC1(C)CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000061804080 392129656 /nfs/dbraw/zinc/12/96/56/392129656.db2.gz UQJVFBYYYCAVCW-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM CCC(CC)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505754477 392693942 /nfs/dbraw/zinc/69/39/42/392693942.db2.gz JEOWAXHONJFUEQ-JTQLQIEISA-N -1 1 293.363 3.190 20 0 CGADMM CCc1ccc([C@@H](C)CC(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000647815600 392808308 /nfs/dbraw/zinc/80/83/08/392808308.db2.gz DHIMHTLWBXOJGQ-JTQLQIEISA-N -1 1 287.363 3.118 20 0 CGADMM Cc1ccc(-c2nc(CN(C)[C@H](C)CC(=O)[O-])cs2)o1 ZINC000519644624 392877263 /nfs/dbraw/zinc/87/72/63/392877263.db2.gz IMJBEILZPIWNFJ-SECBINFHSA-N -1 1 294.376 3.007 20 0 CGADMM CCCN(CC)C(=O)c1cc(Br)ccc1[O-] ZINC000221028629 393005341 /nfs/dbraw/zinc/00/53/41/393005341.db2.gz JVQKPNLKKRQNRO-UHFFFAOYSA-N -1 1 286.169 3.027 20 0 CGADMM COCC1(CCNC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000648485043 393060084 /nfs/dbraw/zinc/06/00/84/393060084.db2.gz HIUIBRVJTQYITQ-UHFFFAOYSA-N -1 1 299.370 3.092 20 0 CGADMM O=c1cc(C2CC2)nc(SCCOc2ccccc2)[n-]1 ZINC000470458430 393245258 /nfs/dbraw/zinc/24/52/58/393245258.db2.gz JDUPQJYCTLNHSW-UHFFFAOYSA-N -1 1 288.372 3.231 20 0 CGADMM Cc1cc(NC(=O)c2cncc([O-])c2)ccc1C1CC1 ZINC000548188988 393187422 /nfs/dbraw/zinc/18/74/22/393187422.db2.gz AFLKGTDMKXZPAC-UHFFFAOYSA-N -1 1 268.316 3.225 20 0 CGADMM CC(C)(F)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278308931 393318178 /nfs/dbraw/zinc/31/81/78/393318178.db2.gz XZCZXBUZKLWHEM-UHFFFAOYSA-N -1 1 256.664 3.300 20 0 CGADMM CC(C)c1nc(=NC[C@H]2CCCC[C@H]2C(F)(F)F)o[n-]1 ZINC000484829867 393445214 /nfs/dbraw/zinc/44/52/14/393445214.db2.gz PKUPSPCEWAWUBN-NXEZZACHSA-N -1 1 291.317 3.396 20 0 CGADMM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CCC1 ZINC000420495450 393490633 /nfs/dbraw/zinc/49/06/33/393490633.db2.gz UZKIQNNEHHWBQA-QMMMGPOBSA-N -1 1 262.284 3.485 20 0 CGADMM COCC1(c2nc(-c3ccc([O-])cc3F)no2)CCCC1 ZINC000420495534 393491579 /nfs/dbraw/zinc/49/15/79/393491579.db2.gz WGZYRRMPWYUCKT-UHFFFAOYSA-N -1 1 292.310 3.040 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccc(C)c(C)c2)n1 ZINC000432662963 393626034 /nfs/dbraw/zinc/62/60/34/393626034.db2.gz CMQGCIVCPRKXFR-UHFFFAOYSA-N -1 1 276.361 3.105 20 0 CGADMM [O-]c1ccc(-c2noc(CC3CCC3)n2)c(Cl)c1 ZINC000445454166 393795402 /nfs/dbraw/zinc/79/54/02/393795402.db2.gz YMGUKUUVJNSMRR-UHFFFAOYSA-N -1 1 264.712 3.438 20 0 CGADMM Cc1cncc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445472260 393797233 /nfs/dbraw/zinc/79/72/33/393797233.db2.gz JSLNQJWWPBGYDS-DJWKRKHSSA-N -1 1 297.289 3.455 20 0 CGADMM CCn1ccnc1[C@H](C)NCc1cccc([O-])c1Cl ZINC000449565080 393906550 /nfs/dbraw/zinc/90/65/50/393906550.db2.gz GLBDFYDUTGQORF-JTQLQIEISA-N -1 1 279.771 3.113 20 0 CGADMM CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000450142034 393984836 /nfs/dbraw/zinc/98/48/36/393984836.db2.gz KLRRMBZMGGQNCQ-ONGXEEELSA-N -1 1 251.301 3.296 20 0 CGADMM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000457307810 394343853 /nfs/dbraw/zinc/34/38/53/394343853.db2.gz WAEGOAUZWFZAQF-NHYWBVRUSA-N -1 1 283.318 3.225 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccsc1 ZINC000669918512 543133683 /nfs/dbraw/zinc/13/36/83/543133683.db2.gz IIGWYCWKDWSJIA-MRVPVSSYSA-N -1 1 265.309 3.084 20 0 CGADMM CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CCC1 ZINC000671739690 543183742 /nfs/dbraw/zinc/18/37/42/543183742.db2.gz UYDAVTYRZCDDHZ-UHFFFAOYSA-N -1 1 273.254 3.036 20 0 CGADMM COC1CCC(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000672902963 543230557 /nfs/dbraw/zinc/23/05/57/543230557.db2.gz VJFUNBUOCUXRJZ-UHFFFAOYSA-N -1 1 283.755 3.189 20 0 CGADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)c(F)c1 ZINC000674136423 543273608 /nfs/dbraw/zinc/27/36/08/543273608.db2.gz NARRVBFFEAZERM-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@H]1CN(Cc2cc(F)cc(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000388580358 397690780 /nfs/dbraw/zinc/69/07/80/397690780.db2.gz WCLLLZKRVQYLDD-ZANVPECISA-N -1 1 285.746 3.022 20 0 CGADMM Cc1ccncc1[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000678425603 543524484 /nfs/dbraw/zinc/52/44/84/543524484.db2.gz YZOGXGBZPXGDPB-SNVBAGLBSA-N -1 1 290.750 3.240 20 0 CGADMM CN(CC(F)(F)F)C(=O)c1ccc2ccccc2c1[O-] ZINC000037501997 286885841 /nfs/dbraw/zinc/88/58/41/286885841.db2.gz PDKCSMOWIYZERJ-UHFFFAOYSA-N -1 1 283.249 3.180 20 0 CGADMM Cc1cncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000088450266 165195659 /nfs/dbraw/zinc/19/56/59/165195659.db2.gz HUXTYAYTYDLGNI-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000123570948 287221560 /nfs/dbraw/zinc/22/15/60/287221560.db2.gz WSRZBIXBUCWASU-JTQLQIEISA-N -1 1 259.280 3.022 20 0 CGADMM CC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000035238860 172077480 /nfs/dbraw/zinc/07/74/80/172077480.db2.gz PTNARUUJSUGPAQ-SNVBAGLBSA-N -1 1 267.756 3.308 20 0 CGADMM CN(CC(C)(C)C)C(=O)c1ccc(Cl)cc1[O-] ZINC000045089488 175304671 /nfs/dbraw/zinc/30/46/71/175304671.db2.gz LCLNOMPDLYGDRB-UHFFFAOYSA-N -1 1 255.745 3.164 20 0 CGADMM CC[C@@H]1CO[C@@H](CC)CN1Cc1cc(C(=O)[O-])sc1C ZINC000403794230 416549440 /nfs/dbraw/zinc/54/94/40/416549440.db2.gz ZFKWHEBWHRLUJR-OLZOCXBDSA-N -1 1 297.420 3.144 20 0 CGADMM CC[C@H](C)CCCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000680189071 543688975 /nfs/dbraw/zinc/68/89/75/543688975.db2.gz FCNNLHRTLZPIGA-QMMMGPOBSA-N -1 1 292.305 3.369 20 0 CGADMM Cc1ccc(F)c(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681016413 543756649 /nfs/dbraw/zinc/75/66/49/543756649.db2.gz VRLQTMVQECDWDR-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CCc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681015026 543756699 /nfs/dbraw/zinc/75/66/99/543756699.db2.gz WWDSYSIJHYYBTJ-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM O=C(Nc1ccc(OC(F)F)cc1)c1ccc([O-])c(F)c1 ZINC000681014664 543756730 /nfs/dbraw/zinc/75/67/30/543756730.db2.gz IQQGCXOMMMKBMN-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM C[C@H](c1ccco1)N(C(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000681020540 543757643 /nfs/dbraw/zinc/75/76/43/543757643.db2.gz FNJQDERNOHFBHP-SNVBAGLBSA-N -1 1 289.306 3.490 20 0 CGADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681018155 543757670 /nfs/dbraw/zinc/75/76/70/543757670.db2.gz KELLNEGAZWYOAO-ZWNOBZJWSA-N -1 1 265.328 3.230 20 0 CGADMM CN(CCCc1ccccc1)C(=O)c1ccc([O-])c(F)c1 ZINC000681019963 543757833 /nfs/dbraw/zinc/75/78/33/543757833.db2.gz QJSXDIUDAWGRFE-UHFFFAOYSA-N -1 1 287.334 3.236 20 0 CGADMM C[C@H](Cc1ccccc1F)NC(=O)c1ccc([O-])c(F)c1 ZINC000681020815 543758348 /nfs/dbraw/zinc/75/83/48/543758348.db2.gz DYIHCGVJZSLEJL-SNVBAGLBSA-N -1 1 291.297 3.031 20 0 CGADMM CC(C)N(C(=O)c1ccc([O-])c(F)c1)C1CCCC1 ZINC000681042388 543759294 /nfs/dbraw/zinc/75/92/94/543759294.db2.gz MIBVLLZUHPEZSW-UHFFFAOYSA-N -1 1 265.328 3.325 20 0 CGADMM Cc1ccc(C[C@@H](C)NC(=O)c2ccc([O-])c(F)c2)s1 ZINC000681048224 543760875 /nfs/dbraw/zinc/76/08/75/543760875.db2.gz CYZUSCQJTDZYSC-SECBINFHSA-N -1 1 293.363 3.262 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1C2CCCC1CCC2 ZINC000681050674 543761722 /nfs/dbraw/zinc/76/17/22/543761722.db2.gz JKHWGRASFPIASZ-UHFFFAOYSA-N -1 1 263.312 3.079 20 0 CGADMM O=C(Nc1cc(Cl)ccc1O)c1ccc([O-])c(F)c1 ZINC000681058161 543762084 /nfs/dbraw/zinc/76/20/84/543762084.db2.gz KVZORTLPISGHKN-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)[C@H]2CCCC[C@@H]12 ZINC000681066956 543763036 /nfs/dbraw/zinc/76/30/36/543763036.db2.gz BSBXTKXSZUEVIU-OSMZGAPFSA-N -1 1 277.339 3.182 20 0 CGADMM Cc1cc(C)c(NC(=O)c2ccc([O-])c(F)c2)cc1O ZINC000681069939 543763312 /nfs/dbraw/zinc/76/33/12/543763312.db2.gz ROIJYRNOUFYMJX-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM C[C@H]1CC[C@]2(CCN(C(=O)c3ccc([O-])c(F)c3)C2)C1 ZINC000681069073 543763318 /nfs/dbraw/zinc/76/33/18/543763318.db2.gz ULLLCJZLUAZRHW-ZBEGNZNMSA-N -1 1 277.339 3.184 20 0 CGADMM CCC1(CC)CN(C(=O)c2ccc([O-])c(F)c2)CCS1 ZINC000681085888 543763631 /nfs/dbraw/zinc/76/36/31/543763631.db2.gz SXYQJYNHDJVMGV-UHFFFAOYSA-N -1 1 297.395 3.279 20 0 CGADMM O=C(N[C@H]1CCCc2sccc21)c1ccc([O-])c(F)c1 ZINC000681086627 543764222 /nfs/dbraw/zinc/76/42/22/543764222.db2.gz QNMRGCKXCKJQPR-LBPRGKRZSA-N -1 1 291.347 3.400 20 0 CGADMM Cc1cnc(C(=O)N2CC(C)(C)[C@H]2c2ccccc2)c([O-])c1 ZINC000681716201 543804785 /nfs/dbraw/zinc/80/47/85/543804785.db2.gz MZABCGKCJGTYGH-MRXNPFEDSA-N -1 1 296.370 3.319 20 0 CGADMM Cc1ccncc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000683454714 543915923 /nfs/dbraw/zinc/91/59/23/543915923.db2.gz MTJYZEDVEGMMQP-UHFFFAOYSA-N -1 1 273.361 3.055 20 0 CGADMM COc1cc(C)cc(NC(=O)c2ccc([O-])c(F)c2)c1C ZINC000683881032 543949726 /nfs/dbraw/zinc/94/97/26/543949726.db2.gz RFRMFQFYFMEUGX-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684869305 544035019 /nfs/dbraw/zinc/03/50/19/544035019.db2.gz QSRNDZQSYWSGEX-SECBINFHSA-N -1 1 287.281 3.283 20 0 CGADMM O=C(NC[C@@H]1CC=CCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871959 544035439 /nfs/dbraw/zinc/03/54/39/544035439.db2.gz NXBKWIDQHZMHNJ-SNVBAGLBSA-N -1 1 299.292 3.497 20 0 CGADMM CN(C[C@H]1CCCCO1)C(=O)c1ccc2ccccc2c1[O-] ZINC000134124953 287436360 /nfs/dbraw/zinc/43/63/60/287436360.db2.gz DUVZSWWGYSLRKU-CQSZACIVSA-N -1 1 299.370 3.187 20 0 CGADMM CC(C)c1ccc([C@@H](C)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1 ZINC000652509912 418976410 /nfs/dbraw/zinc/97/64/10/418976410.db2.gz NSXXTYLQARMYFL-XJKCOSOUSA-N -1 1 291.391 3.045 20 0 CGADMM Cc1ccnc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000659794044 418993510 /nfs/dbraw/zinc/99/35/10/418993510.db2.gz KDRVADQEUBEVCZ-IRXDYDNUSA-N -1 1 296.370 3.180 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)[C@H]1C(C)C ZINC000653956875 419118709 /nfs/dbraw/zinc/11/87/09/419118709.db2.gz SUWLTAGCGHUIFL-WFASDCNBSA-N -1 1 279.355 3.284 20 0 CGADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000665100275 419055331 /nfs/dbraw/zinc/05/53/31/419055331.db2.gz SUMGBPLTZCIJGN-VXGBXAGGSA-N -1 1 284.359 3.059 20 0 CGADMM CCc1nc(S[C@@H](C)C(F)(F)F)[n-]c(=O)c1C ZINC000657263779 419239959 /nfs/dbraw/zinc/23/99/59/419239959.db2.gz IAWILJQTWLZJNJ-LURJTMIESA-N -1 1 266.288 3.096 20 0 CGADMM C[C@@H](NCc1cccc([O-])c1Cl)c1cscn1 ZINC000657600295 419312664 /nfs/dbraw/zinc/31/26/64/419312664.db2.gz MWZVXXSKPDIVEX-MRVPVSSYSA-N -1 1 268.769 3.353 20 0 CGADMM CSc1ccc([O-])c(-c2nc([C@@H]3CCCO3)no2)c1 ZINC000663308910 419549441 /nfs/dbraw/zinc/54/94/41/419549441.db2.gz RZGYASPCFXPPRP-NSHDSACASA-N -1 1 278.333 3.016 20 0 CGADMM Cc1ccc(O)c(CN(C)Cc2ccc(F)c(C)c2)n1 ZINC000521346276 260082595 /nfs/dbraw/zinc/08/25/95/260082595.db2.gz ADARCAXCVMOBNP-UHFFFAOYSA-N -1 1 274.339 3.175 20 0 CGADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000228836979 270087966 /nfs/dbraw/zinc/08/79/66/270087966.db2.gz UCBNXGPNMROHHQ-JQWIXIFHSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@@H](CCNC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000228843950 270088047 /nfs/dbraw/zinc/08/80/47/270088047.db2.gz WNPFOKPUHWUJJK-LBPRGKRZSA-N -1 1 287.334 3.455 20 0 CGADMM CSCCCCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000229596144 270088646 /nfs/dbraw/zinc/08/86/46/270088646.db2.gz AUJQOXASVNQVIR-UHFFFAOYSA-N -1 1 287.812 3.309 20 0 CGADMM CCC[C@H](NC(=O)c1ccc([O-])cc1F)C1CCC1 ZINC000325205387 270095072 /nfs/dbraw/zinc/09/50/72/270095072.db2.gz IWMGDHQWFNWHQP-AWEZNQCLSA-N -1 1 265.328 3.230 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCCC12CC2 ZINC000527928098 270144993 /nfs/dbraw/zinc/14/49/93/270144993.db2.gz UKGWLXHCAUKTDG-ZDUSSCGKSA-N -1 1 297.358 3.301 20 0 CGADMM CC1(C)CCc2cccc(NC(=O)c3cncc([O-])c3)c2O1 ZINC000530041717 270193876 /nfs/dbraw/zinc/19/38/76/270193876.db2.gz FQEKTILPKGQXFL-UHFFFAOYSA-N -1 1 298.342 3.143 20 0 CGADMM C[C@@H]1CCSCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000190005162 287660433 /nfs/dbraw/zinc/66/04/33/287660433.db2.gz TZJHVNXTHKDYPC-SECBINFHSA-N -1 1 285.796 3.013 20 0 CGADMM CCCN(CC(C)C)C(=O)c1cc(F)ccc1[O-] ZINC000271272742 287892106 /nfs/dbraw/zinc/89/21/06/287892106.db2.gz OUJPGQIDUQWZRK-UHFFFAOYSA-N -1 1 253.317 3.040 20 0 CGADMM CC(C)C[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000396783881 288016544 /nfs/dbraw/zinc/01/65/44/288016544.db2.gz OUTPIXUOBBOPEX-LBPRGKRZSA-N -1 1 265.328 3.182 20 0 CGADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000399597825 288053351 /nfs/dbraw/zinc/05/33/51/288053351.db2.gz XVZHCRODAGHEDP-KXUCPTDWSA-N -1 1 267.756 3.162 20 0 CGADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000399681273 288053638 /nfs/dbraw/zinc/05/36/38/288053638.db2.gz QFFVGUQXKIXNOL-GXSJLCMTSA-N -1 1 267.756 3.306 20 0 CGADMM Cc1cc([C@H]2CCCN2Cc2cccc(C(=O)[O-])c2)on1 ZINC000414640873 288059579 /nfs/dbraw/zinc/05/95/79/288059579.db2.gz SHHYNJFJAXFNJG-CQSZACIVSA-N -1 1 286.331 3.018 20 0 CGADMM COc1cc(C(=O)N[C@H]2CCC(C)(C)C2)cc(Cl)c1[O-] ZINC000443134190 288070352 /nfs/dbraw/zinc/07/03/52/288070352.db2.gz SZVHVAOEZKCQEY-JTQLQIEISA-N -1 1 297.782 3.363 20 0 CGADMM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC000335710956 279003473 /nfs/dbraw/zinc/00/34/73/279003473.db2.gz ILEXJBSDGLYEIU-UKRRQHHQSA-N -1 1 296.370 3.196 20 0 CGADMM CC(C)[C@@H](O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539053 288260652 /nfs/dbraw/zinc/26/06/52/288260652.db2.gz OMEVAFZYHPWPSM-CYBMUJFWSA-N -1 1 293.750 3.154 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C1(C2CCC2)CCC1 ZINC000530006427 288282106 /nfs/dbraw/zinc/28/21/06/288282106.db2.gz RWTOXDNRGZCZLF-UHFFFAOYSA-N -1 1 263.312 3.440 20 0 CGADMM C[C@H]1CC[C@H](CC(=O)Nc2cccc(F)c2[O-])C1 ZINC000530006319 288282202 /nfs/dbraw/zinc/28/22/02/288282202.db2.gz RILDUHSTJDPOLZ-UWVGGRQHSA-N -1 1 251.301 3.296 20 0 CGADMM Cc1cccc2c1CC[C@@H]2NC(=O)c1c([O-])cccc1F ZINC000547794626 288976809 /nfs/dbraw/zinc/97/68/09/288976809.db2.gz SCLLVUJOEDBPPH-AWEZNQCLSA-N -1 1 285.318 3.257 20 0 CGADMM CC(C)(C)C1CC(N=c2nc(C(F)(F)F)[n-]s2)C1 ZINC000549577379 289047331 /nfs/dbraw/zinc/04/73/31/289047331.db2.gz KFFJFCMNHKXAFP-UHFFFAOYSA-N -1 1 279.331 3.215 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)s[n-]1 ZINC000509640461 294343996 /nfs/dbraw/zinc/34/39/96/294343996.db2.gz PBRMSSUMWAJCAU-FDYHWXHSSA-N -1 1 295.452 3.438 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC(C2CCCC2)C1 ZINC000365429548 304518377 /nfs/dbraw/zinc/51/83/77/304518377.db2.gz OBQKIURRRMZRTQ-UHFFFAOYSA-N -1 1 279.767 3.308 20 0 CGADMM C[C@@H]1CC[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000580100235 327698818 /nfs/dbraw/zinc/69/88/18/327698818.db2.gz RVHDZMQEPHVDJN-RQJHMYQMSA-N -1 1 260.309 3.401 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)[C@@H](C)c1ccccc1 ZINC000154957475 321754051 /nfs/dbraw/zinc/75/40/51/321754051.db2.gz JRFTWVQADOIGJM-NEPJUHHUSA-N -1 1 287.334 3.453 20 0 CGADMM Cc1ccccc1[C@H]1CN(CCCCCC(=O)[O-])CCO1 ZINC000563817092 322011515 /nfs/dbraw/zinc/01/15/15/322011515.db2.gz YQVLYDNOPOMSTJ-MRXNPFEDSA-N -1 1 291.391 3.013 20 0 CGADMM C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000563886749 322014043 /nfs/dbraw/zinc/01/40/43/322014043.db2.gz XTCUETPCXKZNFB-UHIISALHSA-N -1 1 281.783 3.444 20 0 CGADMM CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cncc(C)c1 ZINC000565256070 322070634 /nfs/dbraw/zinc/07/06/34/322070634.db2.gz ZQLHNZDREGJIIN-KRWDZBQOSA-N -1 1 298.386 3.428 20 0 CGADMM Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2oncc2C(=O)[O-])c1 ZINC000565544698 322081678 /nfs/dbraw/zinc/08/16/78/322081678.db2.gz OLMBSCDBMPMDAF-GFCCVEGCSA-N -1 1 288.347 3.183 20 0 CGADMM Cc1ccc(C)c([C@@H](C)N(C)Cc2oncc2C(=O)[O-])c1 ZINC000565544698 322081680 /nfs/dbraw/zinc/08/16/80/322081680.db2.gz OLMBSCDBMPMDAF-GFCCVEGCSA-N -1 1 288.347 3.183 20 0 CGADMM Cc1oc([C@H](C)N(C)Cc2ccccc2)cc1C(=O)[O-] ZINC000566358447 322117803 /nfs/dbraw/zinc/11/78/03/322117803.db2.gz WWIKCPPRFKUYIK-NSHDSACASA-N -1 1 273.332 3.479 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1ccccc1 ZINC000566358716 322118033 /nfs/dbraw/zinc/11/80/33/322118033.db2.gz ZRQPYMDVZOMSGZ-UHFFFAOYSA-N -1 1 273.332 3.172 20 0 CGADMM COc1ccc(C(=O)Nc2c(O)cccc2Cl)c([O-])c1 ZINC000566884926 322142171 /nfs/dbraw/zinc/14/21/71/322142171.db2.gz VOFMBJHVQWHNMD-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM [O-]c1ccc(-c2noc(C[C@H]3C=CCCC3)n2)cc1F ZINC000567311109 322158240 /nfs/dbraw/zinc/15/82/40/322158240.db2.gz RRFOVDCCDRGEIP-JTQLQIEISA-N -1 1 274.295 3.480 20 0 CGADMM O=C([O-])c1occc1CN(Cc1cccc(F)c1)C1CC1 ZINC000567397163 322161900 /nfs/dbraw/zinc/16/19/00/322161900.db2.gz OLQJEJFKFAJRPU-UHFFFAOYSA-N -1 1 289.306 3.282 20 0 CGADMM C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000568059999 322190381 /nfs/dbraw/zinc/19/03/81/322190381.db2.gz NSPFLIPUPUFYHH-LLVKDONJSA-N -1 1 288.322 3.112 20 0 CGADMM CCc1nc(S[C@@H]2C[C@@H](C)O[C@@H](C)C2)[n-]c(=O)c1C ZINC000568650001 322217778 /nfs/dbraw/zinc/21/77/78/322217778.db2.gz XLEFXBARXMJJFF-DOFRTFSJSA-N -1 1 282.409 3.101 20 0 CGADMM C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000569701529 322254682 /nfs/dbraw/zinc/25/46/82/322254682.db2.gz CYEGGJGWRYAOAY-QMMMGPOBSA-N -1 1 276.163 3.288 20 0 CGADMM CCOc1cc(C(=O)N(C)C(C)(C)C)cc(Cl)c1[O-] ZINC000570969971 322286804 /nfs/dbraw/zinc/28/68/04/322286804.db2.gz OHVNICNYNDNMHV-UHFFFAOYSA-N -1 1 285.771 3.315 20 0 CGADMM O=C([O-])[C@@H](c1ccsc1)N1CCc2cccc(F)c2C1 ZINC000571096652 322289629 /nfs/dbraw/zinc/28/96/29/322289629.db2.gz FPVJXDUQYYEDNU-CQSZACIVSA-N -1 1 291.347 3.071 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2c(F)ccc([O-])c2F)[C@H]1C ZINC000571206042 322292981 /nfs/dbraw/zinc/29/29/81/322292981.db2.gz IPOWWLUWNALJEL-OUAUKWLOSA-N -1 1 297.345 3.473 20 0 CGADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(C)n(C(C)C)n1 ZINC000573328797 322382474 /nfs/dbraw/zinc/38/24/74/322382474.db2.gz ZEKDSOOYMXBJJM-GFCCVEGCSA-N -1 1 287.429 3.093 20 0 CGADMM O=C([O-])c1cccc(CN2CCCCC2)c1Cl ZINC000394483478 329116898 /nfs/dbraw/zinc/11/68/98/329116898.db2.gz UTVWQKHTVJFPEE-UHFFFAOYSA-N -1 1 253.729 3.024 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H]1C1CC1 ZINC000175525797 335187355 /nfs/dbraw/zinc/18/73/55/335187355.db2.gz XBGQYOYOVHVRDX-VHSXEESVSA-N -1 1 251.713 3.030 20 0 CGADMM CCc1nc(SCc2ncc(C3CC3)o2)[n-]c(=O)c1C ZINC000576767868 335245971 /nfs/dbraw/zinc/24/59/71/335245971.db2.gz IPAXQPQJTUYKAY-UHFFFAOYSA-N -1 1 291.376 3.211 20 0 CGADMM CCc1nc(SCc2ccsc2)[n-]c(=O)c1C ZINC000577076585 335296241 /nfs/dbraw/zinc/29/62/41/335296241.db2.gz BDMPJHIHGRQJBK-UHFFFAOYSA-N -1 1 266.391 3.407 20 0 CGADMM CCc1nc(S[C@@H]2CC[C@H](C)C2)[n-]c(=O)c1C ZINC000577125463 335305197 /nfs/dbraw/zinc/30/51/97/335305197.db2.gz RTTLNLDJKFUMPU-WCBMZHEXSA-N -1 1 252.383 3.334 20 0 CGADMM Cc1ccc(NC(=O)c2cncc([O-])c2)cc1-c1ncco1 ZINC000178000682 335407912 /nfs/dbraw/zinc/40/79/12/335407912.db2.gz AZMRKMLLEXJBOO-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)[C@@H]1CC2CCC1CC2 ZINC000381548409 336068140 /nfs/dbraw/zinc/06/81/40/336068140.db2.gz UBPYAPBKBMBDIK-FLRBZUCHSA-N -1 1 291.366 3.476 20 0 CGADMM C[C@H]1C[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381976471 336079401 /nfs/dbraw/zinc/07/94/01/336079401.db2.gz WDMFSDRTEWYGEP-UWVGGRQHSA-N -1 1 267.756 3.269 20 0 CGADMM Cc1oc([C@H](C)N2CCc3ccsc3C2)cc1C(=O)[O-] ZINC000652416280 501015635 /nfs/dbraw/zinc/01/56/35/501015635.db2.gz YRHFTWDOSFRXKA-VIFPVBQESA-N -1 1 291.372 3.467 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)C1CCCCC1 ZINC000164009052 533755320 /nfs/dbraw/zinc/75/53/20/533755320.db2.gz ZXIWLDYOBKZIBF-JTQLQIEISA-N -1 1 265.328 3.230 20 0 CGADMM C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436852358 534247222 /nfs/dbraw/zinc/24/72/22/534247222.db2.gz PGXVSVXYNDREJC-KOLCDFICSA-N -1 1 267.756 3.306 20 0 CGADMM CC[C@](C)(NC(=O)c1cc(F)ccc1[O-])c1nccs1 ZINC000094168769 523482098 /nfs/dbraw/zinc/48/20/98/523482098.db2.gz SJCFXIPIAGKDLQ-AWEZNQCLSA-N -1 1 294.351 3.043 20 0 CGADMM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000436921713 526720377 /nfs/dbraw/zinc/72/03/77/526720377.db2.gz KUGDJIZOJILACZ-NSHDSACASA-N -1 1 279.355 3.430 20 0 CGADMM O=C(C[C@@H]1C=CCC1)Nc1ccc([O-])c(Cl)c1 ZINC000085204529 527106153 /nfs/dbraw/zinc/10/61/53/527106153.db2.gz QSDGKRDHSRQIFT-SECBINFHSA-N -1 1 251.713 3.340 20 0 CGADMM CC(C)C1CCC(N(C)C(=O)c2cncc([O-])c2)CC1 ZINC000355251995 527640278 /nfs/dbraw/zinc/64/02/78/527640278.db2.gz YSBZMLMEPAKVRC-UHFFFAOYSA-N -1 1 276.380 3.074 20 0 CGADMM CC(C)c1nc(=NC[C@H]2CCC[C@@H](C(F)(F)F)C2)o[n-]1 ZINC000439609296 528258056 /nfs/dbraw/zinc/25/80/56/528258056.db2.gz ADFDYMCYFITHFB-VHSXEESVSA-N -1 1 291.317 3.396 20 0 CGADMM CCCCC[C@@H]1CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000427767889 528260065 /nfs/dbraw/zinc/26/00/65/528260065.db2.gz QBTBHQAYWAFKAB-CYBMUJFWSA-N -1 1 276.380 3.281 20 0 CGADMM CCCc1cc(C(=O)Nc2ccc(F)cc2[O-])ccn1 ZINC000436977457 528595351 /nfs/dbraw/zinc/59/53/51/528595351.db2.gz DKIWFAGIKLANHU-UHFFFAOYSA-N -1 1 274.295 3.131 20 0 CGADMM CCC(CC)NC(=O)c1ccc(Br)c([O-])c1 ZINC000132862024 528802113 /nfs/dbraw/zinc/80/21/13/528802113.db2.gz FMUVGQWZUSDFDR-UHFFFAOYSA-N -1 1 286.169 3.073 20 0 CGADMM CC[C@H](C)n1nc(C(=O)Nc2ccc(F)cc2[O-])cc1C ZINC000437008099 529286842 /nfs/dbraw/zinc/28/68/42/529286842.db2.gz ZYSJEJGUONRMEU-VIFPVBQESA-N -1 1 291.326 3.260 20 0 CGADMM CCC[C@H]1SCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000094151492 535753341 /nfs/dbraw/zinc/75/33/41/535753341.db2.gz UDLQYNVTFLEPFL-GFCCVEGCSA-N -1 1 285.796 3.361 20 0 CGADMM O=C([O-])CCCCN[C@@H](c1nccs1)c1ccccc1 ZINC000738573780 571876874 /nfs/dbraw/zinc/87/68/74/571876874.db2.gz AHRZJNBZOXMZIK-CQSZACIVSA-N -1 1 290.388 3.077 20 0 CGADMM c1cc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)nc(-c2nnn[n-]2)c1 ZINC000738413016 572374028 /nfs/dbraw/zinc/37/40/28/572374028.db2.gz LNXZQKZQECDPSY-FRRDWIJNSA-N -1 1 298.394 3.033 20 0 CGADMM c1cc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)nc(-c2nn[n-]n2)c1 ZINC000738413016 572374031 /nfs/dbraw/zinc/37/40/31/572374031.db2.gz LNXZQKZQECDPSY-FRRDWIJNSA-N -1 1 298.394 3.033 20 0 CGADMM Cc1ccc(N(C)C(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC000725741603 572385289 /nfs/dbraw/zinc/38/52/89/572385289.db2.gz WSQQMXWJQYGKBA-UHFFFAOYSA-N -1 1 281.315 3.255 20 0 CGADMM O=C([O-])c1coc(CNC2(c3ccccc3)CCC2)c1 ZINC000740268859 572438802 /nfs/dbraw/zinc/43/88/02/572438802.db2.gz WDAXHQFKJUQDIK-UHFFFAOYSA-N -1 1 271.316 3.147 20 0 CGADMM CCCn1cc(NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000743719922 572681385 /nfs/dbraw/zinc/68/13/85/572681385.db2.gz ALFUDILZRRMHET-UHFFFAOYSA-N -1 1 295.342 3.404 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(C)CCCC2)c1 ZINC000744532378 572761693 /nfs/dbraw/zinc/76/16/93/572761693.db2.gz AXDMABRCBIODTJ-UHFFFAOYSA-N -1 1 290.359 3.261 20 0 CGADMM C[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)C(C)(C)C ZINC000736026184 572762311 /nfs/dbraw/zinc/76/23/11/572762311.db2.gz MHJREAOZIOWZGE-MRVPVSSYSA-N -1 1 294.790 3.009 20 0 CGADMM C[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)C(C)(C)C ZINC000736026184 572762317 /nfs/dbraw/zinc/76/23/17/572762317.db2.gz MHJREAOZIOWZGE-MRVPVSSYSA-N -1 1 294.790 3.009 20 0 CGADMM CC(C)CCOC1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000736432220 572789527 /nfs/dbraw/zinc/78/95/27/572789527.db2.gz SNEKWPKXNWXADZ-UHFFFAOYSA-N -1 1 295.379 3.005 20 0 CGADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H](C)C(C)(C)C ZINC000747397314 572928026 /nfs/dbraw/zinc/92/80/26/572928026.db2.gz KUSMHODASFXETN-SNVBAGLBSA-N -1 1 293.411 3.026 20 0 CGADMM CN(Cc1ccsc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000071264759 600081752 /nfs/dbraw/zinc/08/17/52/600081752.db2.gz QWORXRYZTJSQJX-UHFFFAOYSA-N -1 1 279.336 3.217 20 0 CGADMM Cc1oc(C(C)(C)C)cc1C=C1SC(=O)[N-]C1=O ZINC000899340962 620643590 /nfs/dbraw/zinc/64/35/90/620643590.db2.gz QAONBNZYXHLJBT-UITAMQMPSA-N -1 1 265.334 3.209 20 0 CGADMM O=C([O-])[C@H](c1ccccc1F)[N@H+]1CCc2ccccc2C1 ZINC000212255131 600981179 /nfs/dbraw/zinc/98/11/79/600981179.db2.gz RLVBABYKPNKYBY-INIZCTEOSA-N -1 1 285.318 3.010 20 0 CGADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC000828457014 601042471 /nfs/dbraw/zinc/04/24/71/601042471.db2.gz QBIQJWPVPOLCAE-ABAIWWIYSA-N -1 1 271.316 3.171 20 0 CGADMM C[C@H]1CN(Cc2occc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000828463585 601045306 /nfs/dbraw/zinc/04/53/06/601045306.db2.gz RHZUNBFZGJNRCG-NHYWBVRUSA-N -1 1 271.316 3.171 20 0 CGADMM C/C(=C/CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1)C(=O)[O-] ZINC000825730313 601049851 /nfs/dbraw/zinc/04/98/51/601049851.db2.gz UKKJAQRJMFWNAX-YVNUBKRQSA-N -1 1 289.375 3.398 20 0 CGADMM C/C(=C/CN1CCC(=Cc2ccccc2F)CC1)C(=O)[O-] ZINC000825734395 601659742 /nfs/dbraw/zinc/65/97/42/601659742.db2.gz ITRPRYRCFMRIEC-MLPAPPSSSA-N -1 1 289.350 3.336 20 0 CGADMM C[C@@H](c1ccc(F)cc1F)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173049 602789644 /nfs/dbraw/zinc/78/96/44/602789644.db2.gz DZAQAYJPGKKHBO-ISTVAULSSA-N -1 1 298.333 3.004 20 0 CGADMM Cc1[n-]n(-c2ccc(F)cc2Cl)c(=O)c1C1CC1 ZINC000899362000 620667537 /nfs/dbraw/zinc/66/75/37/620667537.db2.gz GYODEKCULHWAEM-LBPRGKRZSA-N -1 1 266.703 3.228 20 0 CGADMM CN(Cc1ccc(-c2ccccc2)o1)C(C)(C)C(=O)[O-] ZINC000833694306 604627750 /nfs/dbraw/zinc/62/77/50/604627750.db2.gz PKGKNFVOLMOECN-UHFFFAOYSA-N -1 1 273.332 3.242 20 0 CGADMM C[C@H](c1cccnc1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000833550031 604913865 /nfs/dbraw/zinc/91/38/65/604913865.db2.gz QAQMGGHXGAJLAF-SNVBAGLBSA-N -1 1 276.361 3.034 20 0 CGADMM C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833548087 605104760 /nfs/dbraw/zinc/10/47/60/605104760.db2.gz LVKPZTIJTOFOMS-JTQLQIEISA-N -1 1 276.311 3.045 20 0 CGADMM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833547139 605104878 /nfs/dbraw/zinc/10/48/78/605104878.db2.gz ATUAITOAXJNYHO-SECBINFHSA-N -1 1 294.301 3.184 20 0 CGADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cc(C(=O)[O-])co1 ZINC000833607362 605701173 /nfs/dbraw/zinc/70/11/73/605701173.db2.gz ZXUFMCFSXYTUIO-SCZZXKLOSA-N -1 1 291.269 3.141 20 0 CGADMM CC(C)Cc1ncc(CN2CCCCC[C@@H]2C(=O)[O-])s1 ZINC000833493000 605929189 /nfs/dbraw/zinc/92/91/89/605929189.db2.gz IGDHNFCAWXHMPN-CYBMUJFWSA-N -1 1 296.436 3.171 20 0 CGADMM Cc1ccc(NCc2ccc(-c3nnn[n-]3)o2)c(Cl)c1 ZINC000826291512 608449979 /nfs/dbraw/zinc/44/99/79/608449979.db2.gz JPPOIBDNRCBUGQ-UHFFFAOYSA-N -1 1 289.726 3.034 20 0 CGADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)o2)c(Cl)c1 ZINC000826291512 608449981 /nfs/dbraw/zinc/44/99/81/608449981.db2.gz JPPOIBDNRCBUGQ-UHFFFAOYSA-N -1 1 289.726 3.034 20 0 CGADMM CC[C@H](Nc1cc(Cl)[n-]c(=O)n1)[C@H]1CC1(C)C ZINC000858572364 617625800 /nfs/dbraw/zinc/62/58/00/617625800.db2.gz NJRYUBJGMRXICF-SFYZADRCSA-N -1 1 255.749 3.072 20 0 CGADMM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)o1 ZINC000900022194 620747845 /nfs/dbraw/zinc/74/78/45/620747845.db2.gz HHSQZXXXULSYBA-LBPRGKRZSA-N -1 1 295.360 3.045 20 0 CGADMM Cc1cc(C(=O)N=[S@](C)(=O)C2CCCCC2)ccc1[O-] ZINC000926017734 617846208 /nfs/dbraw/zinc/84/62/08/617846208.db2.gz IPCLDNMRLQURGK-HXUWFJFHSA-N -1 1 295.404 3.271 20 0 CGADMM CN(Cc1ccsc1)C(=O)c1c([O-])cccc1Cl ZINC000049086473 618058298 /nfs/dbraw/zinc/05/82/98/618058298.db2.gz OFTQDLACVRFSBJ-UHFFFAOYSA-N -1 1 281.764 3.379 20 0 CGADMM CCN(C(=O)c1c([O-])cnc2c(F)cccc21)C1CCC1 ZINC000900776055 620810959 /nfs/dbraw/zinc/81/09/59/620810959.db2.gz ZSSJJNUJAWLZGS-UHFFFAOYSA-N -1 1 288.322 3.094 20 0 CGADMM Cc1oc(CN[C@H](C)c2ccsc2)cc1C(=O)[O-] ZINC000235186534 618737488 /nfs/dbraw/zinc/73/74/88/618737488.db2.gz CPYCYWFXAKBPMK-MRVPVSSYSA-N -1 1 265.334 3.199 20 0 CGADMM Cc1cc(Cl)ccc1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000235786772 618826062 /nfs/dbraw/zinc/82/60/62/618826062.db2.gz TWSYYBGCCWNVGH-ZDUSSCGKSA-N -1 1 299.823 3.041 20 0 CGADMM CC(C)(C)CCc1noc(-c2ccc(N)cc2[O-])n1 ZINC000311283306 618902493 /nfs/dbraw/zinc/90/24/93/618902493.db2.gz GYWJSTGEQHKYLP-UHFFFAOYSA-N -1 1 261.325 3.003 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000311593522 618912841 /nfs/dbraw/zinc/91/28/41/618912841.db2.gz AXLMKWBJPHZUAO-PHIMTYICSA-N -1 1 277.751 3.084 20 0 CGADMM Cc1cn2nc([N-]c3cnn(C4CCCC4)c3)sc2n1 ZINC000895885875 619901042 /nfs/dbraw/zinc/90/10/42/619901042.db2.gz GWLSERUMFOYSEQ-UHFFFAOYSA-N -1 1 288.380 3.154 20 0 CGADMM O=c1nc(NCC[C@H]2CCC(F)(F)C2)cc(Cl)[n-]1 ZINC000897236373 620167973 /nfs/dbraw/zinc/16/79/73/620167973.db2.gz HJPFHOWFPIZXEX-SSDOTTSWSA-N -1 1 277.702 3.073 20 0 CGADMM CCCN(CC(=O)[O-])Cc1ccc(-c2ccccc2F)o1 ZINC000263420622 620318160 /nfs/dbraw/zinc/31/81/60/620318160.db2.gz OURKEMAMLQXSPP-UHFFFAOYSA-N -1 1 291.322 3.382 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)c(F)c1 ZINC000263475035 620321251 /nfs/dbraw/zinc/32/12/51/620321251.db2.gz FEXLHMOASCZJDH-MWLCHTKSSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1cc(CNCc2c(C)cccc2C)oc1C(=O)[O-] ZINC000901942279 621072139 /nfs/dbraw/zinc/07/21/39/621072139.db2.gz JFJMAFAFGJBGNI-UHFFFAOYSA-N -1 1 273.332 3.193 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CNCc2cc(C(=O)[O-])cs2)o1 ZINC000902108030 621138723 /nfs/dbraw/zinc/13/87/23/621138723.db2.gz IVVLRFPHFLZYSW-RNCFNFMXSA-N -1 1 291.372 3.453 20 0 CGADMM Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902174646 621184391 /nfs/dbraw/zinc/18/43/91/621184391.db2.gz PVTRRSZJGLMIMY-SKHCZCESSA-N -1 1 297.354 3.463 20 0 CGADMM O=C([O-])c1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)o1 ZINC000902172599 621184712 /nfs/dbraw/zinc/18/47/12/621184712.db2.gz NCUAIHMANANMGQ-CYBMUJFWSA-N -1 1 291.734 3.408 20 0 CGADMM Cc1ccc2c(c1)[C@H](NCc1cc(C(=O)[O-])co1)CC2 ZINC000902230168 621203824 /nfs/dbraw/zinc/20/38/24/621203824.db2.gz FJIVXBVVQDIRHA-OAHLLOKOSA-N -1 1 271.316 3.063 20 0 CGADMM Cc1cccc([C@H](C)NCc2ccc(C(=O)[O-])o2)c1C ZINC000902266991 621232796 /nfs/dbraw/zinc/23/27/96/621232796.db2.gz ABMIYARSCUEHPK-LBPRGKRZSA-N -1 1 273.332 3.445 20 0 CGADMM O=C([O-])c1cc(C[N@H+]2CCCC3(CCCCC3)CC2)on1 ZINC000902326495 621263225 /nfs/dbraw/zinc/26/32/25/621263225.db2.gz UGTMURVFKYEDED-UHFFFAOYSA-N -1 1 292.379 3.309 20 0 CGADMM CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1cc(C(=O)[O-])no1 ZINC000902517677 621359282 /nfs/dbraw/zinc/35/92/82/621359282.db2.gz WSKRBCUXROEXQT-OAHLLOKOSA-N -1 1 288.347 3.202 20 0 CGADMM CCc1oc(C[N@H+](C)[C@@H](CC)CSC)cc1C(=O)[O-] ZINC000902531353 621364309 /nfs/dbraw/zinc/36/43/09/621364309.db2.gz UKYFTMKLHPCDJG-JTQLQIEISA-N -1 1 285.409 3.114 20 0 CGADMM C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902532179 621365103 /nfs/dbraw/zinc/36/51/03/621365103.db2.gz YBFITXSFOLYBBB-SECBINFHSA-N -1 1 287.281 3.388 20 0 CGADMM O=C([O-])c1ccc(CN[C@H]2CCCc3cccnc32)s1 ZINC000904260311 621897580 /nfs/dbraw/zinc/89/75/80/621897580.db2.gz OHHVWUZGGGNSRP-LBPRGKRZSA-N -1 1 288.372 3.009 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCCC12CC2 ZINC000909972957 622439845 /nfs/dbraw/zinc/43/98/45/622439845.db2.gz SFLDWRWVOXQQKS-MRVPVSSYSA-N -1 1 267.275 3.189 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@]12C[C@@H]1CCCC2 ZINC000909971561 622440096 /nfs/dbraw/zinc/44/00/96/622440096.db2.gz GDKGYBPSLFWTQU-RTHLEPHNSA-N -1 1 267.275 3.189 20 0 CGADMM CC(=O)CCC(C)(C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985156 622440819 /nfs/dbraw/zinc/44/08/19/622440819.db2.gz XPHNFGYUFAUCNW-UHFFFAOYSA-N -1 1 285.290 3.004 20 0 CGADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985444 622441008 /nfs/dbraw/zinc/44/10/08/622441008.db2.gz KCCKPEMFVWLWBK-HTQZYQBOSA-N -1 1 257.280 3.291 20 0 CGADMM CCC[C@@H]1C[C@@H](C(=O)Nc2cc([O-])c(F)cc2F)CCO1 ZINC000909985386 622441921 /nfs/dbraw/zinc/44/19/21/622441921.db2.gz JLBUKCHUJIARSF-VHSXEESVSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1coc(C2CCC2)n1 ZINC000909986476 622443419 /nfs/dbraw/zinc/44/34/19/622443419.db2.gz MFRITXFNBDGEPX-UHFFFAOYSA-N -1 1 294.257 3.178 20 0 CGADMM CC[C@@H](CC(F)F)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987841 622444473 /nfs/dbraw/zinc/44/44/73/622444473.db2.gz LBDYINCQACPULX-LURJTMIESA-N -1 1 279.233 3.290 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1C[C@@H]1C1CCCC1 ZINC000909988232 622446191 /nfs/dbraw/zinc/44/61/91/622446191.db2.gz AOJIPCFAAJUEIK-ZJUUUORDSA-N -1 1 281.302 3.435 20 0 CGADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1c([O-])cccc1Cl ZINC000769932801 625579886 /nfs/dbraw/zinc/57/98/86/625579886.db2.gz ZPYBTFCMOHATMW-VHSXEESVSA-N -1 1 267.756 3.306 20 0 CGADMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(Cl)nc2)c1 ZINC000156684448 622833727 /nfs/dbraw/zinc/83/37/27/622833727.db2.gz DUDKWGMHWSWFTG-GORDUTHDSA-N -1 1 289.718 3.345 20 0 CGADMM CC[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000057308528 622869336 /nfs/dbraw/zinc/86/93/36/622869336.db2.gz PREJBXNLUAIGSN-SNVBAGLBSA-N -1 1 267.756 3.308 20 0 CGADMM C[C@H](Cc1cccs1)NC(=O)c1c([O-])cccc1Cl ZINC000920446391 624495806 /nfs/dbraw/zinc/49/58/06/624495806.db2.gz VETAAAMEJSAYDF-SECBINFHSA-N -1 1 295.791 3.468 20 0 CGADMM O=C(Nc1ccc(SC(F)F)cc1)c1cncc([O-])c1 ZINC000070074879 624947125 /nfs/dbraw/zinc/94/71/25/624947125.db2.gz QBUCNHOXAKNUBH-UHFFFAOYSA-N -1 1 296.298 3.354 20 0 CGADMM [O-]c1cccc(CN[C@@H](c2ncccn2)C2CC2)c1Cl ZINC000922578795 626014525 /nfs/dbraw/zinc/01/45/25/626014525.db2.gz LXKFKGMSTDQCOH-CQSZACIVSA-N -1 1 289.766 3.077 20 0 CGADMM O=C([N-]c1nc(C2CC2)no1)c1ccc(-c2ccccc2)o1 ZINC000753416912 626451275 /nfs/dbraw/zinc/45/12/75/626451275.db2.gz QBFPZJDCKDPWSY-UHFFFAOYSA-N -1 1 295.298 3.459 20 0 CGADMM CCSc1cccc(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000756284806 626689045 /nfs/dbraw/zinc/68/90/45/626689045.db2.gz IDVLYHQBMAQHPW-UHFFFAOYSA-N -1 1 291.372 3.380 20 0 CGADMM CCCCCCO[C@@H](C)C(=O)Nc1c([O-])cccc1F ZINC000839682754 626778445 /nfs/dbraw/zinc/77/84/45/626778445.db2.gz HZAHKAYSYIVHSZ-NSHDSACASA-N -1 1 283.343 3.455 20 0 CGADMM O=C([N-]c1c(F)cccc1F)c1nc(Cl)ccc1F ZINC000758588718 626849894 /nfs/dbraw/zinc/84/98/94/626849894.db2.gz RSGAWZHFNDKUJV-UHFFFAOYSA-N -1 1 286.640 3.405 20 0 CGADMM C[C@@H](C(=O)[N-]OCC(F)F)c1ccc2ccccc2c1 ZINC000759339191 626889064 /nfs/dbraw/zinc/88/90/64/626889064.db2.gz OYSUDEFKPWYNLZ-SNVBAGLBSA-N -1 1 279.286 3.256 20 0 CGADMM CCN(Cc1ccccn1)C(=O)c1c([O-])cccc1Cl ZINC000764540341 627211473 /nfs/dbraw/zinc/21/14/73/627211473.db2.gz JGMADAYKBLOWFW-UHFFFAOYSA-N -1 1 290.750 3.103 20 0 CGADMM C[C@@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769602399 627568700 /nfs/dbraw/zinc/56/87/00/627568700.db2.gz MSTMSPCIUFEFGY-MWLCHTKSSA-N -1 1 267.756 3.354 20 0 CGADMM Cc1cccnc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000769701701 627573195 /nfs/dbraw/zinc/57/31/95/627573195.db2.gz LWLAWRASBAGQGB-UHFFFAOYSA-N -1 1 270.332 3.471 20 0 CGADMM CC(C)[C@H]1CCCN1C(=O)c1c([O-])cccc1Cl ZINC000769724883 627574649 /nfs/dbraw/zinc/57/46/49/627574649.db2.gz BLRICYDJMIPSRG-LLVKDONJSA-N -1 1 267.756 3.306 20 0 CGADMM C[C@@H](c1cccnc1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769729273 627574860 /nfs/dbraw/zinc/57/48/60/627574860.db2.gz UJCONALQBWBVRZ-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccncc1 ZINC000769908134 627588478 /nfs/dbraw/zinc/58/84/78/627588478.db2.gz LHHDOCMEHXJXEZ-LBPRGKRZSA-N -1 1 290.750 3.322 20 0 CGADMM Cn1ncc([N-]c2nc3ccccc3o2)c1C1CC1 ZINC000770128252 627605597 /nfs/dbraw/zinc/60/55/97/627605597.db2.gz XXMBCKZYWMENNA-UHFFFAOYSA-N -1 1 254.293 3.182 20 0 CGADMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000773585398 627897773 /nfs/dbraw/zinc/89/77/73/627897773.db2.gz UPGWUPIHHIXJBZ-JTQLQIEISA-N -1 1 260.264 3.449 20 0 CGADMM COc1cc(Cl)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000775356951 628085553 /nfs/dbraw/zinc/08/55/53/628085553.db2.gz QBOVIFVQTCMKAU-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM O=C([N-]Oc1ccccc1F)[C@@H]1CCCC2(CC2)C1 ZINC000874911446 634650648 /nfs/dbraw/zinc/65/06/48/634650648.db2.gz UFEMZVWLSKYTSQ-LLVKDONJSA-N -1 1 263.312 3.206 20 0 CGADMM CC(C)CCSCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790049336 629179914 /nfs/dbraw/zinc/17/99/14/629179914.db2.gz YNCNZCLBBYPFTE-UHFFFAOYSA-N -1 1 288.800 3.158 20 0 CGADMM Cc1ccccc1CCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790057706 629181006 /nfs/dbraw/zinc/18/10/06/629181006.db2.gz ZXHLAGKKNNZGMJ-UHFFFAOYSA-N -1 1 290.750 3.320 20 0 CGADMM C[C@H](C(=O)Nc1nc(Cl)ccc1[O-])C1CCCC1 ZINC000790057034 629181240 /nfs/dbraw/zinc/18/12/40/629181240.db2.gz SMOOJZBYQBVJCX-QMMMGPOBSA-N -1 1 268.744 3.205 20 0 CGADMM C[C@H]1CC/C(=C\C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000863476323 629583289 /nfs/dbraw/zinc/58/32/89/629583289.db2.gz ADTJWQRFIUSIJJ-OWRWYXLESA-N -1 1 297.358 3.263 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCC(C)(C)CO2)n1 ZINC000865364030 630075249 /nfs/dbraw/zinc/07/52/49/630075249.db2.gz ZIDUVIRVZIOLGF-NSHDSACASA-N -1 1 282.409 3.042 20 0 CGADMM CN(C(=O)NCc1ccc([O-])c(Cl)c1)C1CC(C)(C)C1 ZINC000876396290 634826546 /nfs/dbraw/zinc/82/65/46/634826546.db2.gz BQLFROZGIKHWNP-UHFFFAOYSA-N -1 1 296.798 3.376 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCCCCC1 ZINC000876392667 634826834 /nfs/dbraw/zinc/82/68/34/634826834.db2.gz BCZWIHUMNNRVRZ-UHFFFAOYSA-N -1 1 282.771 3.131 20 0 CGADMM O=C([N-]CCF)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817449463 632163185 /nfs/dbraw/zinc/16/31/85/632163185.db2.gz QQNFIGQJHWCDPI-UHFFFAOYSA-N -1 1 286.080 3.171 20 0 CGADMM CCCO[N-]C(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000844085706 635818542 /nfs/dbraw/zinc/81/85/42/635818542.db2.gz PFRTUJCZGCGYGT-VIFPVBQESA-N -1 1 286.169 3.010 20 0 CGADMM CC(F)(F)C(=O)[N-]Cc1ccsc1C(F)(F)F ZINC000866029810 632980054 /nfs/dbraw/zinc/98/00/54/632980054.db2.gz QSPNJVUYXCKIJL-UHFFFAOYSA-N -1 1 273.226 3.038 20 0 CGADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2cc(F)cc(F)c2[O-])CCO1 ZINC000822971659 633044305 /nfs/dbraw/zinc/04/43/05/633044305.db2.gz HHQTYUPCNGIAAU-ZANVPECISA-N -1 1 299.317 3.060 20 0 CGADMM CC(C)c1cnc(CN2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000871621447 633804704 /nfs/dbraw/zinc/80/47/04/633804704.db2.gz CDFDCQUMFANFTM-LBPRGKRZSA-N -1 1 296.436 3.343 20 0 CGADMM CCc1nc(SC[C@@H]2C[C@H]3CCC[C@H]3O2)[n-]c(=O)c1C ZINC000871676512 633820934 /nfs/dbraw/zinc/82/09/34/633820934.db2.gz YDIGQJRRVLHJFK-NTZNESFSSA-N -1 1 294.420 3.103 20 0 CGADMM CC(C)c1ncsc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000830184391 633837279 /nfs/dbraw/zinc/83/72/79/633837279.db2.gz CEFSWPDCTGTXIZ-UHFFFAOYSA-N -1 1 297.767 3.273 20 0 CGADMM CC1(C)CCc2c([n-]n(Cc3cc(F)ccc3F)c2=O)C1 ZINC000871948474 633923650 /nfs/dbraw/zinc/92/36/50/633923650.db2.gz OZTBHGQEILMMDN-LBPRGKRZSA-N -1 1 292.329 3.489 20 0 CGADMM CCCc1c(C)[n-]n([C@@H]2CCOC3(CCCC3)C2)c1=O ZINC000871963306 633930820 /nfs/dbraw/zinc/93/08/20/633930820.db2.gz GDJYXDAKMFKDSX-KGLIPLIRSA-N -1 1 278.396 3.113 20 0 CGADMM COc1cc(C(=O)NCCC2CC=CC2)cc(Cl)c1[O-] ZINC000831452050 633963700 /nfs/dbraw/zinc/96/37/00/633963700.db2.gz JWXQGVZALPZMAQ-UHFFFAOYSA-N -1 1 295.766 3.140 20 0 CGADMM C[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2Cl)CCS1 ZINC000834660050 634211148 /nfs/dbraw/zinc/21/11/48/634211148.db2.gz IFJLPVMTRFJWRG-IUCAKERBSA-N -1 1 285.796 3.060 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000873040551 634236480 /nfs/dbraw/zinc/23/64/80/634236480.db2.gz DFRKTSMICDOSHA-MDZLAQPJSA-N -1 1 294.782 3.033 20 0 CGADMM CCC/C=C\C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821527 634248270 /nfs/dbraw/zinc/24/82/70/634248270.db2.gz AIXUZRMOXLBLJP-PLNGDYQASA-N -1 1 253.729 3.018 20 0 CGADMM CC/C=C(/C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833777 634252612 /nfs/dbraw/zinc/25/26/12/634252612.db2.gz LPQVYTVZCZZEPQ-WTKPLQERSA-N -1 1 253.729 3.018 20 0 CGADMM COC(=O)/C(=C/c1ccc([O-])c(Cl)c1)c1ccncc1 ZINC000102827560 634917786 /nfs/dbraw/zinc/91/77/86/634917786.db2.gz YVAGJEMQFLIDIC-XYOKQWHBSA-N -1 1 289.718 3.154 20 0 CGADMM Cc1cccc2c1N[C@H](c1cccc([O-])c1Cl)NC2=O ZINC000877845719 635239405 /nfs/dbraw/zinc/23/94/05/635239405.db2.gz KVPCQJAVSAKOJD-AWEZNQCLSA-N -1 1 288.734 3.208 20 0 CGADMM CC(C)COc1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000210619857 635916571 /nfs/dbraw/zinc/91/65/71/635916571.db2.gz PIAUKSZOYAYLOK-KPKJPENVSA-N -1 1 277.345 3.045 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC12CCC(CC1)C2 ZINC000867360256 635925310 /nfs/dbraw/zinc/92/53/10/635925310.db2.gz FWJHOTKTZCSVJH-UHFFFAOYSA-N -1 1 279.767 3.037 20 0 CGADMM CC1(C)CO[C@@H](CCC(=O)Nc2cccc(F)c2[O-])C1 ZINC000880854820 636054613 /nfs/dbraw/zinc/05/46/13/636054613.db2.gz VFDAJHLKCZOPFY-JTQLQIEISA-N -1 1 281.327 3.065 20 0 CGADMM O=C([O-])c1ccc2c(c1)CN(Cc1ccc(CF)cc1)CC2 ZINC000846273550 636170336 /nfs/dbraw/zinc/17/03/36/636170336.db2.gz HAQZMSKLEGBYKD-UHFFFAOYSA-N -1 1 299.345 3.413 20 0 CGADMM CO[C@@H](CC(C)C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885679493 637284262 /nfs/dbraw/zinc/28/42/62/637284262.db2.gz AVAMWXGMKZYCKM-LBPRGKRZSA-N -1 1 289.734 3.184 20 0 CGADMM Cc1cccc2c1CCC[C@H]2[N-]C(=O)C(F)(F)F ZINC000851705891 637467944 /nfs/dbraw/zinc/46/79/44/637467944.db2.gz XXVBXIKYKFYABE-LLVKDONJSA-N -1 1 257.255 3.051 20 0 CGADMM CC(C)(C)C1=N/C(=C\c2ccc([O-])c(F)c2F)C(=O)O1 ZINC000887268215 637785481 /nfs/dbraw/zinc/78/54/81/637785481.db2.gz FSCJWTLAOSNSOP-VURMDHGXSA-N -1 1 281.258 3.013 20 0 CGADMM CCCCC[C@H](O)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678308 638047821 /nfs/dbraw/zinc/04/78/21/638047821.db2.gz MRQFWABTWLIEAX-NSHDSACASA-N -1 1 289.734 3.064 20 0 CGADMM CCC(F)(F)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680522 638058120 /nfs/dbraw/zinc/05/81/20/638058120.db2.gz SZWGETFIGTYBQB-UHFFFAOYSA-N -1 1 267.634 3.169 20 0 CGADMM CC(C)CC1(NC(=O)c2c([O-])cccc2Cl)CC1 ZINC000856190719 638316389 /nfs/dbraw/zinc/31/63/89/638316389.db2.gz DCNDWUHYUNVHRJ-UHFFFAOYSA-N -1 1 267.756 3.354 20 0 CGADMM CCC[C@@H](C)[C@H]1CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858450415 638722984 /nfs/dbraw/zinc/72/29/84/638722984.db2.gz HENORBDIUNYILU-NXEZZACHSA-N -1 1 269.776 3.241 20 0 CGADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1c1cc(Cl)[n-]c(=O)n1 ZINC000858477772 638733701 /nfs/dbraw/zinc/73/37/01/638733701.db2.gz XUJKKOVVQKJUQH-NKWVEPMBSA-N -1 1 295.692 3.003 20 0 CGADMM CS[C@H](CNc1cc(Cl)[n-]c(=O)n1)C(C)(C)C ZINC000858480161 638734813 /nfs/dbraw/zinc/73/48/13/638734813.db2.gz NARFZPVIXDIGGB-SSDOTTSWSA-N -1 1 275.805 3.025 20 0 CGADMM O=c1nc(N2CCC(CC(F)(F)F)CC2)cc(Cl)[n-]1 ZINC000858534124 638756800 /nfs/dbraw/zinc/75/68/00/638756800.db2.gz RYZNADKYXNQEPA-UHFFFAOYSA-N -1 1 295.692 3.004 20 0 CGADMM Cc1noc(C(C)C)c1NC(=O)c1cc(F)ccc1[O-] ZINC000928785665 638892008 /nfs/dbraw/zinc/89/20/08/638892008.db2.gz DWNXDLBVDWSSKY-UHFFFAOYSA-N -1 1 278.283 3.203 20 0 CGADMM CC(C)N(CC(F)F)C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000929855786 638957523 /nfs/dbraw/zinc/95/75/23/638957523.db2.gz SOICSOVBAXVDKX-NSHDSACASA-N -1 1 285.334 3.187 20 0 CGADMM O=c1nc(N2CCCC[C@H]2CC2CCC2)cc(Cl)[n-]1 ZINC000858634638 639004860 /nfs/dbraw/zinc/00/48/60/639004860.db2.gz HHLCSQIUDAQILV-NSHDSACASA-N -1 1 281.787 3.385 20 0 CGADMM CCOc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000188354051 640131528 /nfs/dbraw/zinc/13/15/28/640131528.db2.gz HWLXPWFWYXATEC-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM CCCc1ncc(C(=O)Nc2nc(Cl)ccc2[O-])s1 ZINC000188360935 640132975 /nfs/dbraw/zinc/13/29/75/640132975.db2.gz LSDUNRZYOLHNJD-UHFFFAOYSA-N -1 1 297.767 3.102 20 0 CGADMM [O-]c1c(Br)cccc1CNc1ncccc1F ZINC000192363409 640366763 /nfs/dbraw/zinc/36/67/63/640366763.db2.gz KAMVSDWJBPIDMB-UHFFFAOYSA-N -1 1 297.127 3.301 20 0 CGADMM COc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1F ZINC000082192579 640565638 /nfs/dbraw/zinc/56/56/38/640565638.db2.gz HDMLSPPAJFONFG-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM Cc1ccc2ccc(C(=O)N[C@H]3CC=CCC3)c([O-])c2n1 ZINC001155661340 805601448 /nfs/dbraw/zinc/60/14/48/805601448.db2.gz RDBXPJOJFWPDSD-ZDUSSCGKSA-N -1 1 282.343 3.087 20 0 CGADMM CCOC(=O)c1nc2cc(Cl)c(C(F)(F)F)cc2[n-]1 ZINC001250550132 805687526 /nfs/dbraw/zinc/68/75/26/805687526.db2.gz QNEZFMNQWIDZSU-UHFFFAOYSA-N -1 1 292.644 3.412 20 0 CGADMM Cc1cc(Nc2ccc3nccn3c2)ccc1C(=O)[O-] ZINC001211649976 814925263 /nfs/dbraw/zinc/92/52/63/814925263.db2.gz JGYHLZRIDOYXCN-UHFFFAOYSA-N -1 1 267.288 3.085 20 0 CGADMM CSc1ccc2nc(-c3ccc(C(=O)[O-])o3)[nH]c2c1 ZINC001250922142 805798778 /nfs/dbraw/zinc/79/87/78/805798778.db2.gz DEZUQLAUQYDHNC-UHFFFAOYSA-N -1 1 274.301 3.243 20 0 CGADMM [O-]c1cc(F)c(-c2nc3c(cc(F)cc3F)[nH]2)c(F)c1 ZINC001251007756 805825520 /nfs/dbraw/zinc/82/55/20/805825520.db2.gz REEAYRRKCXHUKZ-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM COc1ccc(F)cc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001157805495 805874407 /nfs/dbraw/zinc/87/44/07/805874407.db2.gz HVUYQCMSOGAZAK-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM Cn1c2ccccc2nc1-c1c(F)ccc([O-])c1F ZINC001251335593 805884920 /nfs/dbraw/zinc/88/49/20/805884920.db2.gz LEHFSZBLBPKEKY-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM Cn1c2ccc(F)cc2nc1-c1c(F)ccc([O-])c1F ZINC001251336053 805885392 /nfs/dbraw/zinc/88/53/92/805885392.db2.gz ZSBSLZPTJLPLLB-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM [O-]c1ccc(-c2nnc(-c3ccc(F)cc3)o2)c(F)c1 ZINC001252252512 806034034 /nfs/dbraw/zinc/03/40/34/806034034.db2.gz SCKYDTCOODRHIC-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CCCCS(=O)(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001253855433 806315390 /nfs/dbraw/zinc/31/53/90/806315390.db2.gz MPRDVTVWYIVIMK-UHFFFAOYSA-N -1 1 298.191 3.241 20 0 CGADMM CCCCS(=O)(=O)[N-]c1cccc(F)c1C(F)(F)F ZINC001253855479 806315780 /nfs/dbraw/zinc/31/57/80/806315780.db2.gz NOUUEHOWKJGGSC-UHFFFAOYSA-N -1 1 299.289 3.386 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc2ccccn2c1 ZINC001160917308 806320710 /nfs/dbraw/zinc/32/07/10/806320710.db2.gz RAUJKBFJSQYPNR-UHFFFAOYSA-N -1 1 288.253 3.175 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc2ccsc2[nH]1 ZINC001160916268 806321016 /nfs/dbraw/zinc/32/10/16/806321016.db2.gz IXDRTAUXXKQXFR-UHFFFAOYSA-N -1 1 294.282 3.466 20 0 CGADMM CCCc1nnc(-c2cc(Br)ccc2[O-])o1 ZINC001253938574 806321139 /nfs/dbraw/zinc/32/11/39/806321139.db2.gz NJWYNNDVDPCLCO-UHFFFAOYSA-N -1 1 283.125 3.157 20 0 CGADMM C[C@@H](CC(C)(C)C)NC(=O)c1ncc2ccccc2c1[O-] ZINC001161120694 806350214 /nfs/dbraw/zinc/35/02/14/806350214.db2.gz AYUGGSQVZDUERV-NSHDSACASA-N -1 1 286.375 3.495 20 0 CGADMM C[C@H](CC(C)(C)C)NC(=O)c1cccc([O-])c1F ZINC001161121795 806351066 /nfs/dbraw/zinc/35/10/66/806351066.db2.gz WCWFRUDGTIPCMW-SECBINFHSA-N -1 1 253.317 3.086 20 0 CGADMM COc1c(F)cc([N-]c2nnc(-c3ccco3)o2)cc1F ZINC001211674639 814930389 /nfs/dbraw/zinc/93/03/89/814930389.db2.gz OFILWGWFNDSPMP-UHFFFAOYSA-N -1 1 293.229 3.360 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2cnccc2c1 ZINC001254497697 806419468 /nfs/dbraw/zinc/41/94/68/806419468.db2.gz LEIQMJFBXBFMFE-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2ccc([O-])cc2F)cc1C ZINC001161810527 806458550 /nfs/dbraw/zinc/45/85/50/806458550.db2.gz RZLOHIYBUIIHNO-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM CC(C)(C)OCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350614954 799315910 /nfs/dbraw/zinc/31/59/10/799315910.db2.gz ZEUHVKKJWILOEF-UHFFFAOYSA-N -1 1 294.326 3.329 20 0 CGADMM CC1(OCc2nc(-c3ccc([O-])cc3F)no2)CCC1 ZINC000350812277 799318344 /nfs/dbraw/zinc/31/83/44/799318344.db2.gz KABSPUDUXZBLIC-UHFFFAOYSA-N -1 1 278.283 3.041 20 0 CGADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])C1CCCC1 ZINC000382889565 799398722 /nfs/dbraw/zinc/39/87/22/799398722.db2.gz XWCUARFWLQUNQI-ZDUSSCGKSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1scc(CNC(=O)c2cc(F)ccc2[O-])c1C ZINC000399887208 799543408 /nfs/dbraw/zinc/54/34/08/799543408.db2.gz NDXUKYDKSHWYKE-UHFFFAOYSA-N -1 1 279.336 3.140 20 0 CGADMM C[C@@]1(C(=O)[O-])CCN(Cc2csc(C(F)(F)F)c2)C1 ZINC000703285256 799921459 /nfs/dbraw/zinc/92/14/59/799921459.db2.gz QBVUAELIWMXJIJ-LLVKDONJSA-N -1 1 293.310 3.064 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccc2[nH]ccc2c1 ZINC000707893354 799980838 /nfs/dbraw/zinc/98/08/38/799980838.db2.gz OIBPPXJYHYCRRH-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cc(F)c(F)c(F)c1 ZINC000707956048 799982201 /nfs/dbraw/zinc/98/22/01/799982201.db2.gz BSFKMRSPXRGADD-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM CCC[C@](C)(CC)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001256402720 806883679 /nfs/dbraw/zinc/88/36/79/806883679.db2.gz UIRCYFRYBLWLFM-INIZCTEOSA-N -1 1 294.347 3.040 20 0 CGADMM CCc1ncnc(NCc2ccc([O-])c(Cl)c2)c1F ZINC001164061492 806884131 /nfs/dbraw/zinc/88/41/31/806884131.db2.gz RDXXWQLLVHOPEH-UHFFFAOYSA-N -1 1 281.718 3.149 20 0 CGADMM CC[C@@H](C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001116754541 802406420 /nfs/dbraw/zinc/40/64/20/802406420.db2.gz YFZJDCKPHJJJRI-SSDOTTSWSA-N -1 1 272.142 3.139 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)[C@H]1C[C@H]1C1CC1 ZINC001116899497 802425991 /nfs/dbraw/zinc/42/59/91/802425991.db2.gz HZKFQSVDRMZUTG-UWVGGRQHSA-N -1 1 296.164 3.139 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC[C@@H]1C ZINC001119530068 802676913 /nfs/dbraw/zinc/67/69/13/802676913.db2.gz REVRLZVVLHPTIV-RYUDHWBXSA-N -1 1 299.370 3.369 20 0 CGADMM CC(C)NC(=S)Nc1cccc(C(F)(F)F)c1[O-] ZINC001200788131 811746216 /nfs/dbraw/zinc/74/62/16/811746216.db2.gz RBZLKAMPLSPIBF-UHFFFAOYSA-N -1 1 278.299 3.106 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cc(F)ncc3C)ccc2[n-]1 ZINC001243786234 803004381 /nfs/dbraw/zinc/00/43/81/803004381.db2.gz BWEXLIJCVFNIJT-UHFFFAOYSA-N -1 1 299.305 3.249 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cc(F)ncc3C)cc2[n-]1 ZINC001243786234 803004385 /nfs/dbraw/zinc/00/43/85/803004385.db2.gz BWEXLIJCVFNIJT-UHFFFAOYSA-N -1 1 299.305 3.249 20 0 CGADMM CCOC(=O)c1cccc(-c2c([O-])cccc2Cl)n1 ZINC001244031372 803152189 /nfs/dbraw/zinc/15/21/89/803152189.db2.gz SZYTVTLWDGGZRE-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM [O-]c1c(F)cc(-c2nc[nH]c3nc(=S)sc2-3)cc1F ZINC001244092386 803180688 /nfs/dbraw/zinc/18/06/88/803180688.db2.gz UGIPCUKPCZQIEU-UHFFFAOYSA-N -1 1 297.311 3.026 20 0 CGADMM Cn1cc(-c2cc(F)c([O-])c(F)c2)c2ccccc2c1=O ZINC001244094438 803182158 /nfs/dbraw/zinc/18/21/58/803182158.db2.gz RSKXIYPJYFSBBK-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM [O-]c1c(F)cc(-c2ccnc(OC(F)F)c2)cc1F ZINC001244097008 803185573 /nfs/dbraw/zinc/18/55/73/803185573.db2.gz LUTIGLOMMYIUTD-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM Cc1nocc1[N-]C(=O)c1cnc(-c2ccccc2)s1 ZINC001130575024 803290284 /nfs/dbraw/zinc/29/02/84/803290284.db2.gz FAVKKURUMOFECW-UHFFFAOYSA-N -1 1 285.328 3.359 20 0 CGADMM CCc1nccc(-c2ccc(OC(F)(F)F)cc2[O-])n1 ZINC001244464792 803382610 /nfs/dbraw/zinc/38/26/10/803382610.db2.gz PFGQLNSGAJQVRX-UHFFFAOYSA-N -1 1 284.237 3.310 20 0 CGADMM CCn1cnc2c1ncnc2-c1cc(C)c([O-])c(Cl)c1 ZINC001244535921 803424439 /nfs/dbraw/zinc/42/44/39/803424439.db2.gz DXAQBHYUMSYNPR-UHFFFAOYSA-N -1 1 288.738 3.181 20 0 CGADMM COc1nc(-c2c(Cl)ccc([O-])c2F)nc(C)c1F ZINC001244538098 803424934 /nfs/dbraw/zinc/42/49/34/803424934.db2.gz IUVMXZXNQMWBPH-UHFFFAOYSA-N -1 1 286.665 3.098 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncc3cc[nH]c3n2)c1F ZINC001244537365 803425543 /nfs/dbraw/zinc/42/55/43/803425543.db2.gz BALWSGZTKCFFOG-UHFFFAOYSA-N -1 1 263.659 3.075 20 0 CGADMM Cc1cc(-c2cnc3c(ccn3C)n2)cc(Cl)c1[O-] ZINC001244538706 803426785 /nfs/dbraw/zinc/42/67/85/803426785.db2.gz WFADCXHIMQNURJ-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM Cc1nc2ccc(-c3c(Cl)ccc([O-])c3F)cn2n1 ZINC001244540574 803427975 /nfs/dbraw/zinc/42/79/75/803427975.db2.gz ZLMYOOUYUMZFPU-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM COc1ccncc1-c1c(Cl)ccc([O-])c1F ZINC001244539666 803427984 /nfs/dbraw/zinc/42/79/84/803427984.db2.gz BILZUGFMAQWARE-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM CN1Cc2c(cccc2-c2c(Cl)ccc([O-])c2F)C1=O ZINC001244540456 803428332 /nfs/dbraw/zinc/42/83/32/803428332.db2.gz VLOJXZWRSWDBKF-UHFFFAOYSA-N -1 1 291.709 3.437 20 0 CGADMM CCc1ncc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244541162 803429110 /nfs/dbraw/zinc/42/91/10/803429110.db2.gz LQXZHLHOIDYKKE-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM COc1cc(-c2c(Cl)ccc([O-])c2F)cnc1F ZINC001244541320 803429741 /nfs/dbraw/zinc/42/97/41/803429741.db2.gz BAZIXNSWJHKLMX-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM O=c1c(-c2c(Cl)ccc([O-])c2F)ccnn1C1CCC1 ZINC001244541241 803429965 /nfs/dbraw/zinc/42/99/65/803429965.db2.gz AEHUGSGPANCOIF-UHFFFAOYSA-N -1 1 294.713 3.133 20 0 CGADMM COCCOc1ccc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244543679 803430787 /nfs/dbraw/zinc/43/07/87/803430787.db2.gz YAGVNTIEOMOZKI-UHFFFAOYSA-N -1 1 297.713 3.272 20 0 CGADMM Cc1cc(-c2ccc(Cl)c(O)c2F)cnc1C(=O)[O-] ZINC001244634405 803476652 /nfs/dbraw/zinc/47/66/52/803476652.db2.gz ZQSVPYVASNPXJX-UHFFFAOYSA-N -1 1 281.670 3.253 20 0 CGADMM CC(C)c1nnsc1C(=O)[N-]c1cc(C(C)(C)F)on1 ZINC001135195006 803577499 /nfs/dbraw/zinc/57/74/99/803577499.db2.gz CQXJQWXPVSMWEV-UHFFFAOYSA-N -1 1 298.343 3.106 20 0 CGADMM Cc1cc(-c2cc(-n3ccnc3)ccn2)cc(C)c1C(=O)[O-] ZINC001244944814 803585932 /nfs/dbraw/zinc/58/59/32/803585932.db2.gz MJDQDMJYLBJMOP-UHFFFAOYSA-N -1 1 293.326 3.249 20 0 CGADMM COC(=O)c1cnc(-c2cc(Cl)ccc2[O-])c(C)c1 ZINC001245049937 803621993 /nfs/dbraw/zinc/62/19/93/803621993.db2.gz YGSNHUGHFPTHLH-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM C[C@H]1CCC[C@H](NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001136204178 803636533 /nfs/dbraw/zinc/63/65/33/803636533.db2.gz GMKJHNGQFZLPIK-AAEUAGOBSA-N -1 1 284.359 3.249 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(F)c(N)c3C)ccc2[n-]1 ZINC001245460999 803748034 /nfs/dbraw/zinc/74/80/34/803748034.db2.gz MGBJIDFGBIVYQN-UHFFFAOYSA-N -1 1 299.305 3.046 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(F)c(N)c3C)cc2[n-]1 ZINC001245460999 803748036 /nfs/dbraw/zinc/74/80/36/803748036.db2.gz MGBJIDFGBIVYQN-UHFFFAOYSA-N -1 1 299.305 3.046 20 0 CGADMM Cn1c(Nc2ncc(F)cc2[O-])cc2ccccc21 ZINC001212045111 814969876 /nfs/dbraw/zinc/96/98/76/814969876.db2.gz YYISJUZQJZQDRM-UHFFFAOYSA-N -1 1 257.268 3.162 20 0 CGADMM CC(C)Oc1cnc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245826068 803980981 /nfs/dbraw/zinc/98/09/81/803980981.db2.gz AJHDKWYXWDKHHR-UHFFFAOYSA-N -1 1 282.702 3.429 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3scnc32)c1Cl ZINC001245827348 803982885 /nfs/dbraw/zinc/98/28/85/803982885.db2.gz KOUKJUZJVXHGED-UHFFFAOYSA-N -1 1 281.699 3.251 20 0 CGADMM [O-]c1ccc(F)c(-c2ncc(F)c3nccnc32)c1Cl ZINC001245830549 803985000 /nfs/dbraw/zinc/98/50/00/803985000.db2.gz QJIGCVJQMVCPOQ-UHFFFAOYSA-N -1 1 293.660 3.329 20 0 CGADMM [O-]c1ccc(F)c(-c2ccnc(N3CCCC3)n2)c1Cl ZINC001245829789 803985152 /nfs/dbraw/zinc/98/51/52/803985152.db2.gz DLOMPQLAVIGYKN-UHFFFAOYSA-N -1 1 293.729 3.242 20 0 CGADMM [O-]c1ccc(F)c(-c2cc(-n3ccnc3)ccn2)c1Cl ZINC001245830391 803985232 /nfs/dbraw/zinc/98/52/32/803985232.db2.gz MRKXYPHATIZSKL-UHFFFAOYSA-N -1 1 289.697 3.432 20 0 CGADMM COc1ccc(-c2c(F)ccc([O-])c2Cl)c(OC)n1 ZINC001245832136 803987309 /nfs/dbraw/zinc/98/73/09/803987309.db2.gz IHQKPCILFOWEDD-UHFFFAOYSA-N -1 1 283.686 3.264 20 0 CGADMM Cc1cc(=O)n(-c2cccc(OCc3ccccc3)c2)[n-]1 ZINC001245927903 804056907 /nfs/dbraw/zinc/05/69/07/804056907.db2.gz FZSSQQAVNAXCRH-UHFFFAOYSA-N -1 1 280.327 3.465 20 0 CGADMM CC[C@@H](C)n1[n-]c(-c2ccc(N(C)C)cc2)cc1=O ZINC001245944241 804076201 /nfs/dbraw/zinc/07/62/01/804076201.db2.gz LUQKTQXLCJVXEC-LLVKDONJSA-N -1 1 259.353 3.293 20 0 CGADMM [O-]c1ccc(CN2CCCC(F)(F)[C@H](F)C2)c(F)c1F ZINC001140889240 804541725 /nfs/dbraw/zinc/54/17/25/804541725.db2.gz CJLLBYZPORSQIJ-SNVBAGLBSA-N -1 1 295.251 3.240 20 0 CGADMM O=C1CCN(Cc2ccc([O-])c(F)c2F)[C@@H]2CCCC[C@H]12 ZINC001140890182 804542235 /nfs/dbraw/zinc/54/22/35/804542235.db2.gz YCKIGFJOYFDIRS-NWDGAFQWSA-N -1 1 295.329 3.004 20 0 CGADMM [O-]c1c(F)cc(CN2CCc3sccc3C2)cc1F ZINC001140988847 804563999 /nfs/dbraw/zinc/56/39/99/804563999.db2.gz ODEBIOOLTXHBTG-UHFFFAOYSA-N -1 1 281.327 3.290 20 0 CGADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1F ZINC001141540194 804651052 /nfs/dbraw/zinc/65/10/52/804651052.db2.gz FSBIAUBWJWFERT-ZYHUDNBSSA-N -1 1 265.328 3.230 20 0 CGADMM CCO[C@@H]1CCCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142656541 804749961 /nfs/dbraw/zinc/74/99/61/804749961.db2.gz HYRMWPUDUWCCBN-CYBMUJFWSA-N -1 1 297.782 3.039 20 0 CGADMM CC[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(C)cc1C ZINC001142771095 804767379 /nfs/dbraw/zinc/76/73/79/804767379.db2.gz RUQDNFXORCPXKA-LLVKDONJSA-N -1 1 259.271 3.433 20 0 CGADMM CC(C)(C)CNC(=S)Nc1cc(F)c(F)cc1[O-] ZINC001247978662 804863743 /nfs/dbraw/zinc/86/37/43/804863743.db2.gz ITZNFBNKUYMFSY-UHFFFAOYSA-N -1 1 274.336 3.003 20 0 CGADMM Cc1nc(SC[C@H]2CCCC(C)(C)O2)[n-]c(=O)c1C ZINC001165918439 807026337 /nfs/dbraw/zinc/02/63/37/807026337.db2.gz YWQMNOBYZKASSQ-LLVKDONJSA-N -1 1 282.409 3.239 20 0 CGADMM CCCC(C)(C)C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001144111730 804937131 /nfs/dbraw/zinc/93/71/31/804937131.db2.gz OQHKAOFAHSFEAT-UHFFFAOYSA-N -1 1 287.363 3.343 20 0 CGADMM [O-]c1cc(F)c(CN2CCC(OC3CCC3)CC2)cc1F ZINC001144647463 805022421 /nfs/dbraw/zinc/02/24/21/805022421.db2.gz GIOVVAKAKIWHLQ-UHFFFAOYSA-N -1 1 297.345 3.204 20 0 CGADMM CC1(C)CN(Cc2cc(F)c([O-])cc2F)CC(C)(C)O1 ZINC001144659241 805026688 /nfs/dbraw/zinc/02/66/88/805026688.db2.gz ABRXVWHFQDKYKN-UHFFFAOYSA-N -1 1 285.334 3.060 20 0 CGADMM CN(Cc1cccs1)Cc1cc(F)c([O-])cc1F ZINC001144666067 805028657 /nfs/dbraw/zinc/02/86/57/805028657.db2.gz FOVXPMFVCOLTDP-UHFFFAOYSA-N -1 1 269.316 3.364 20 0 CGADMM O=C(NCc1ccc2occc2c1)c1ccc([O-])cc1F ZINC001146506924 805071825 /nfs/dbraw/zinc/07/18/25/805071825.db2.gz JFNAIWXJRBJJSN-UHFFFAOYSA-N -1 1 285.274 3.208 20 0 CGADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc([O-])c1F ZINC001146669622 805078210 /nfs/dbraw/zinc/07/82/10/805078210.db2.gz WSDZGHBNDOSEGE-QJPTWQEYSA-N -1 1 277.339 3.230 20 0 CGADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1CCCCO1 ZINC001148861108 805213562 /nfs/dbraw/zinc/21/35/62/805213562.db2.gz LLYUSSKGOPOAIP-UHFFFAOYSA-N -1 1 283.327 3.227 20 0 CGADMM CCCC[C@H](CCC)NC(=O)c1ncc(C)cc1[O-] ZINC001148997880 805215987 /nfs/dbraw/zinc/21/59/87/805215987.db2.gz SVUHNCIEJQROQD-LBPRGKRZSA-N -1 1 264.369 3.184 20 0 CGADMM Cn1cc(Nc2cc([O-])c(F)c(F)c2)c2ccncc21 ZINC001249698513 805217135 /nfs/dbraw/zinc/21/71/35/805217135.db2.gz NTMJVFHQYJCDQS-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM CC(C)(NC(=O)c1cc2cccc(O)c2cc1[O-])C1CC1 ZINC001149654335 805240441 /nfs/dbraw/zinc/24/04/41/805240441.db2.gz YUAYSEQCMQUHBT-UHFFFAOYSA-N -1 1 285.343 3.169 20 0 CGADMM Cc1ccc2[nH]c(Nc3ncc(F)cc3[O-])cc2c1 ZINC001249844212 805259913 /nfs/dbraw/zinc/25/99/13/805259913.db2.gz PMNUVIKKFFYVOA-UHFFFAOYSA-N -1 1 257.268 3.460 20 0 CGADMM Cc1ccc(Nc2cc([O-])c(F)c(F)c2F)cn1 ZINC001249958793 805327142 /nfs/dbraw/zinc/32/71/42/805327142.db2.gz SJINRQUOFLWMPV-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM O=c1[nH]ccc(Nc2cc([O-])c(F)c(F)c2F)c1Cl ZINC001249961303 805328261 /nfs/dbraw/zinc/32/82/61/805328261.db2.gz PPUNWZBURRIDBM-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM COc1ccc(O)c(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249962747 805331081 /nfs/dbraw/zinc/33/10/81/805331081.db2.gz NBSSMONYZYKUSW-UHFFFAOYSA-N -1 1 285.221 3.267 20 0 CGADMM Nc1ccc(F)c(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249965048 805332241 /nfs/dbraw/zinc/33/22/41/805332241.db2.gz SHIKBRZILHREQQ-UHFFFAOYSA-N -1 1 272.201 3.274 20 0 CGADMM Cc1ccc(N)cc1Nc1cc([O-])c(F)c(F)c1F ZINC001249964367 805332812 /nfs/dbraw/zinc/33/28/12/805332812.db2.gz BFWNXVUXAPYHHM-UHFFFAOYSA-N -1 1 268.238 3.444 20 0 CGADMM O=C(N[C@@H](CC1CCC1)c1ccccc1)c1ccc([O-])cn1 ZINC001152852433 805371393 /nfs/dbraw/zinc/37/13/93/805371393.db2.gz KPSLQNPRKKOPGI-KRWDZBQOSA-N -1 1 296.370 3.449 20 0 CGADMM CSc1cc(Nc2cc(Cl)c([O-])cc2F)nn1C ZINC001250023538 805375270 /nfs/dbraw/zinc/37/52/70/805375270.db2.gz NXZZBHFTJNKYRZ-UHFFFAOYSA-N -1 1 287.747 3.384 20 0 CGADMM [O-]c1cc(Cc2ccc3c(c2)OCO3)ccc1Cl ZINC001250156960 805451595 /nfs/dbraw/zinc/45/15/95/805451595.db2.gz QYACXTQLDJJWDB-UHFFFAOYSA-N -1 1 262.692 3.365 20 0 CGADMM [O-]c1cc(C[C@H]2COc3ccccc3O2)c(F)c(F)c1F ZINC001250176941 805464237 /nfs/dbraw/zinc/46/42/37/805464237.db2.gz CMSYVDZKFOSCQO-VIFPVBQESA-N -1 1 296.244 3.192 20 0 CGADMM CC(=O)c1ncccc1Nc1ccc(Cl)c([O-])c1 ZINC001212590500 815078231 /nfs/dbraw/zinc/07/82/31/815078231.db2.gz PFTJFYNMFPDUAF-UHFFFAOYSA-N -1 1 262.696 3.387 20 0 CGADMM COc1cc([N-]c2nonc2N)ccc1Oc1ccccc1 ZINC001250215609 805496240 /nfs/dbraw/zinc/49/62/40/805496240.db2.gz PMTYMBNZXBSXJD-UHFFFAOYSA-N -1 1 298.302 3.196 20 0 CGADMM COc1ncc(Nc2c(F)ccc([O-])c2Cl)cc1F ZINC001250228540 805504851 /nfs/dbraw/zinc/50/48/51/805504851.db2.gz FHQZWPSTGBQDLK-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM COc1ccnc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250227961 805505618 /nfs/dbraw/zinc/50/56/18/805505618.db2.gz DXDMIPFAGKALGP-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM Nc1cccc2c1CCN2c1c(F)ccc([O-])c1Cl ZINC001250237164 805513755 /nfs/dbraw/zinc/51/37/55/805513755.db2.gz CVQQOGYLFIFRSZ-UHFFFAOYSA-N -1 1 278.714 3.461 20 0 CGADMM O=C(Cc1cc(F)c([O-])c(F)c1)c1ccc(F)cc1F ZINC001250251112 805522924 /nfs/dbraw/zinc/52/29/24/805522924.db2.gz RXZHARSNDQCDQV-UHFFFAOYSA-N -1 1 284.208 3.374 20 0 CGADMM O=C(Cc1cccc([O-])c1Cl)Oc1ccccc1 ZINC001250258873 805527261 /nfs/dbraw/zinc/52/72/61/805527261.db2.gz YFJAFZBPTOKMAR-UHFFFAOYSA-N -1 1 262.692 3.194 20 0 CGADMM COC(=O)Cc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001212620877 815086827 /nfs/dbraw/zinc/08/68/27/815086827.db2.gz JLINYPMMOXTITR-UHFFFAOYSA-N -1 1 293.269 3.130 20 0 CGADMM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3ccncc3[O-])o2)cc1 ZINC001257295210 807090730 /nfs/dbraw/zinc/09/07/30/807090730.db2.gz LOJGHRMXYHNYAF-ZIAGYGMSSA-N -1 1 293.326 3.417 20 0 CGADMM COCCOc1ccccc1Nc1cc([O-])c(F)c(F)c1 ZINC001212640410 815091988 /nfs/dbraw/zinc/09/19/88/815091988.db2.gz PSWNSRQESMLWEQ-UHFFFAOYSA-N -1 1 295.285 3.439 20 0 CGADMM CC(C)(C)Cc1nnc(-c2cccc([O-])c2F)o1 ZINC001257893770 807244316 /nfs/dbraw/zinc/24/43/16/807244316.db2.gz RVBWEUWGHBWAKX-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM Cc1ccccc1-c1noc(-c2ncc(C(F)(F)F)[n-]2)n1 ZINC001212689731 815104161 /nfs/dbraw/zinc/10/41/61/815104161.db2.gz ORFQXWDAOKNOAD-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM Cc1ccccc1-c1noc(-c2nc(C(F)(F)F)c[n-]2)n1 ZINC001212689731 815104164 /nfs/dbraw/zinc/10/41/64/815104164.db2.gz ORFQXWDAOKNOAD-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM CCOc1ccc(-c2nnc(CCC(C)C)o2)c([O-])c1 ZINC001258264033 807387443 /nfs/dbraw/zinc/38/74/43/807387443.db2.gz HTPCCTWUZGLFKE-UHFFFAOYSA-N -1 1 276.336 3.430 20 0 CGADMM CC(C)CCc1nnc(-c2cc([O-])cnc2Cl)o1 ZINC001258339021 807417009 /nfs/dbraw/zinc/41/70/09/807417009.db2.gz AIQBFJVCBQCHTD-UHFFFAOYSA-N -1 1 267.716 3.079 20 0 CGADMM O=S(=O)(CC1CCCCC1)[N-]c1cccs1 ZINC001259613728 807682555 /nfs/dbraw/zinc/68/25/55/807682555.db2.gz RPHCHRMRRDNGQP-UHFFFAOYSA-N -1 1 259.396 3.070 20 0 CGADMM O=S(=O)([N-]c1ccc(F)c2cccnc12)C1CCCC1 ZINC001259802001 807686606 /nfs/dbraw/zinc/68/66/06/807686606.db2.gz TXLYVUIQXZEMGD-UHFFFAOYSA-N -1 1 294.351 3.058 20 0 CGADMM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)C1CCCCC1 ZINC001259815285 807689520 /nfs/dbraw/zinc/68/95/20/807689520.db2.gz XFWQORDEPVTJAP-UHFFFAOYSA-N -1 1 299.367 3.103 20 0 CGADMM CCC(CC)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260195829 807696744 /nfs/dbraw/zinc/69/67/44/807696744.db2.gz KJYPGFFGCAKBHM-UHFFFAOYSA-N -1 1 297.754 3.085 20 0 CGADMM CCC[C@@H](C)C[C@H](NCc1cc2cnccc2o1)C(=O)[O-] ZINC001261503604 807752473 /nfs/dbraw/zinc/75/24/73/807752473.db2.gz GAXXODNCURXSRF-RISCZKNCSA-N -1 1 290.363 3.197 20 0 CGADMM Cc1ccsc1CN[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001262157632 807829519 /nfs/dbraw/zinc/82/95/19/807829519.db2.gz KNKIAGHRYHKRRS-OAHLLOKOSA-N -1 1 275.373 3.146 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cc(F)ccc1F ZINC001171632912 808108884 /nfs/dbraw/zinc/10/88/84/808108884.db2.gz WOQGMDWMWRIHDM-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM C[C@H](OCc1ccccc1)C(=O)Nc1cccc(F)c1[O-] ZINC001171632513 808109228 /nfs/dbraw/zinc/10/92/28/808109228.db2.gz DRNKCSHCMUDOSB-NSHDSACASA-N -1 1 289.306 3.075 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc(CO)c(Cl)c1 ZINC001212890802 815178254 /nfs/dbraw/zinc/17/82/54/815178254.db2.gz ASKNMRMGXGHZAI-UHFFFAOYSA-N -1 1 285.130 3.330 20 0 CGADMM COCOc1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001212901878 815181877 /nfs/dbraw/zinc/18/18/77/815181877.db2.gz HWHDALGSQIZBEJ-UHFFFAOYSA-N -1 1 281.258 3.397 20 0 CGADMM COC(=O)Cc1ccccc1Nc1cc([O-])c(F)c(F)c1 ZINC001213060376 815214800 /nfs/dbraw/zinc/21/48/00/815214800.db2.gz XOVBYQDFRYOGCM-UHFFFAOYSA-N -1 1 293.269 3.130 20 0 CGADMM COc1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001173806760 808681391 /nfs/dbraw/zinc/68/13/91/808681391.db2.gz NKXYMMNUNXSOLQ-UHFFFAOYSA-N -1 1 251.232 3.423 20 0 CGADMM CSc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001173813372 808684529 /nfs/dbraw/zinc/68/45/29/808684529.db2.gz IMLSMSLQKDRLIB-UHFFFAOYSA-N -1 1 271.345 3.035 20 0 CGADMM COc1ccccc1Nc1cc(F)c([O-])cc1F ZINC001173840021 808703108 /nfs/dbraw/zinc/70/31/08/808703108.db2.gz LCOBHIDPBMJQHT-UHFFFAOYSA-N -1 1 251.232 3.423 20 0 CGADMM CCOC(=O)c1nc(C)oc1[N-]c1c(F)cccc1F ZINC001173859176 808718566 /nfs/dbraw/zinc/71/85/66/808718566.db2.gz INAKSKZYHVAAAE-UHFFFAOYSA-N -1 1 282.246 3.182 20 0 CGADMM CCc1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1 ZINC001173870789 808728272 /nfs/dbraw/zinc/72/82/72/808728272.db2.gz NFXWUBWGZKHGLH-UHFFFAOYSA-N -1 1 291.372 3.102 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc(F)cc1F ZINC001173926771 808766104 /nfs/dbraw/zinc/76/61/04/808766104.db2.gz UCHGRMGLXNFGHG-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1cncc2ccccc21 ZINC001174098286 808864044 /nfs/dbraw/zinc/86/40/44/808864044.db2.gz HGCAXKKWFOOHLY-UHFFFAOYSA-N -1 1 283.287 3.143 20 0 CGADMM CSc1nc(Nc2cccc3cnccc32)cc(=O)[n-]1 ZINC001174135780 808884089 /nfs/dbraw/zinc/88/40/89/808884089.db2.gz OUQUAQQYABAEJA-UHFFFAOYSA-N -1 1 284.344 3.196 20 0 CGADMM Cn1cc(Nc2ccc(Cl)c(Cl)c2[O-])cn1 ZINC001174331598 808955238 /nfs/dbraw/zinc/95/52/38/808955238.db2.gz MLAQINKGVLEWRW-UHFFFAOYSA-N -1 1 258.108 3.176 20 0 CGADMM Cc1c(Cl)cc(Nc2cnn(C)c2)c([O-])c1Cl ZINC001174331785 808955656 /nfs/dbraw/zinc/95/56/56/808955656.db2.gz SULYQRJTBUHLKF-UHFFFAOYSA-N -1 1 272.135 3.485 20 0 CGADMM CC(=O)NCc1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001174370643 808980417 /nfs/dbraw/zinc/98/04/17/808980417.db2.gz ONXGYYMXFJAWFF-UHFFFAOYSA-N -1 1 292.285 3.050 20 0 CGADMM CC(C)(O)c1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001174406913 809001414 /nfs/dbraw/zinc/00/14/14/809001414.db2.gz ZYQHKZHRBRKXLX-UHFFFAOYSA-N -1 1 278.739 3.412 20 0 CGADMM CSc1nc(Nc2cc(C)sc2C)cc(=O)[n-]1 ZINC001174421916 809013283 /nfs/dbraw/zinc/01/32/83/809013283.db2.gz ZQADHNJLZPZEFS-UHFFFAOYSA-N -1 1 267.379 3.326 20 0 CGADMM O=C([O-])/C=C/c1cccc(Nc2ccc3nccn3c2)c1 ZINC001174495698 809043570 /nfs/dbraw/zinc/04/35/70/809043570.db2.gz UXIBMYLITHXNIV-QPJJXVBHSA-N -1 1 279.299 3.176 20 0 CGADMM [O-]c1cc(Nc2cc(F)ccc2O)cc(F)c1F ZINC001174628308 809109716 /nfs/dbraw/zinc/10/97/16/809109716.db2.gz DRTCYOSGJHFSOG-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cc(F)ccc1O ZINC001174629455 809109983 /nfs/dbraw/zinc/10/99/83/809109983.db2.gz IGLJGJMLNUMTDV-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM O=c1ccoc2ccc(Nc3ncc(Cl)cc3[O-])cc12 ZINC001174943924 809209475 /nfs/dbraw/zinc/20/94/75/809209475.db2.gz LQGODQRYQJPZTF-UHFFFAOYSA-N -1 1 288.690 3.291 20 0 CGADMM Cc1nc2ccc(F)cn2c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174950606 809212466 /nfs/dbraw/zinc/21/24/66/809212466.db2.gz UCGBIDRDIDHBMK-UHFFFAOYSA-N -1 1 299.305 3.153 20 0 CGADMM [O-]c1c(F)cc(Nc2c(F)cccc2CO)cc1F ZINC001213386712 815275497 /nfs/dbraw/zinc/27/54/97/815275497.db2.gz QYMBJQXNVMYWDE-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM COc1cc(Nc2cc(F)c([O-])cc2F)cc(OC)c1 ZINC001175111576 809276550 /nfs/dbraw/zinc/27/65/50/809276550.db2.gz RYDZXFMPIKCJLD-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM Cc1cc([N-]c2c(F)c(F)c(F)c(F)c2F)on1 ZINC001175383302 809386169 /nfs/dbraw/zinc/38/61/69/809386169.db2.gz DUYNJPNKQAVJJT-UHFFFAOYSA-N -1 1 264.153 3.422 20 0 CGADMM COc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1F ZINC001175400281 809392269 /nfs/dbraw/zinc/39/22/69/809392269.db2.gz DBQCYZNHPDRXFI-UHFFFAOYSA-N -1 1 299.305 3.469 20 0 CGADMM CCN(Cc1ccccc1F)C(=O)c1cccc([O-])c1F ZINC001290757753 809415232 /nfs/dbraw/zinc/41/52/32/809415232.db2.gz LWRUTJDIOHOGJM-UHFFFAOYSA-N -1 1 291.297 3.333 20 0 CGADMM COc1c(Cl)cccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001292069259 809427213 /nfs/dbraw/zinc/42/72/13/809427213.db2.gz ZNNQPQHHABTVGO-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CCCc1csc(NC(=O)c2ccc(F)c([O-])c2)n1 ZINC001295940044 809496593 /nfs/dbraw/zinc/49/65/93/809496593.db2.gz LWQKGBVAQIIMTN-UHFFFAOYSA-N -1 1 280.324 3.193 20 0 CGADMM COc1cc(Nc2cc(=O)[n-]c(SC)n2)ccc1Cl ZINC001175774417 809540339 /nfs/dbraw/zinc/54/03/39/809540339.db2.gz WFBQNYDYBAHQPK-UHFFFAOYSA-N -1 1 297.767 3.310 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1[O-])c1ccc(O)c(Cl)c1 ZINC001299041063 809542627 /nfs/dbraw/zinc/54/26/27/809542627.db2.gz PGQFVFPAUGCVRG-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1cccc(F)c1F ZINC001298974355 809542970 /nfs/dbraw/zinc/54/29/70/809542970.db2.gz QEIIZKLWJLIZRT-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM CCc1cccc(N(C)C(=O)c2cccc([O-])c2F)c1 ZINC001299058696 809543940 /nfs/dbraw/zinc/54/39/40/809543940.db2.gz UQFLXXAXEMRYIL-UHFFFAOYSA-N -1 1 273.307 3.370 20 0 CGADMM Cc1c(F)c(F)ccc1NC(=O)c1cccc([O-])c1F ZINC001299266712 809547364 /nfs/dbraw/zinc/54/73/64/809547364.db2.gz OAEYGOIIUKWABK-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM O=C(N[C@@H]1C[C@H]1c1ccco1)c1cc2ccccc2cc1[O-] ZINC001299289606 809547637 /nfs/dbraw/zinc/54/76/37/809547637.db2.gz MQHXATQVGCOFSX-UKRRQHHQSA-N -1 1 293.322 3.424 20 0 CGADMM CCc1ccccc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001299579911 809551660 /nfs/dbraw/zinc/55/16/60/809551660.db2.gz AUGZVRZZVNQTRK-UHFFFAOYSA-N -1 1 277.270 3.485 20 0 CGADMM C[C@H]1CCCCN1NC(=O)c1cc2ccccc2cc1[O-] ZINC001300110836 809562524 /nfs/dbraw/zinc/56/25/24/809562524.db2.gz QUEDMEQVHZFHIR-LBPRGKRZSA-N -1 1 284.359 3.065 20 0 CGADMM Cc1nocc1NC(=O)c1ccc2ccccc2c1[O-] ZINC001300167106 809563322 /nfs/dbraw/zinc/56/33/22/809563322.db2.gz UNGVIEBRBKJKHI-UHFFFAOYSA-N -1 1 268.272 3.094 20 0 CGADMM O=C(N[C@@H]1CCCC12CC2)c1ncc2ccccc2c1[O-] ZINC001302155410 809590516 /nfs/dbraw/zinc/59/05/16/809590516.db2.gz CAPOTXWGYRSDPT-CYBMUJFWSA-N -1 1 282.343 3.003 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccn3ccnc23)c1F ZINC001176663944 809738069 /nfs/dbraw/zinc/73/80/69/809738069.db2.gz OQRINCNTYPWRHU-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM CSc1cc(Nc2c(F)cc(F)c([O-])c2F)nn1C ZINC001176664318 809738725 /nfs/dbraw/zinc/73/87/25/809738725.db2.gz UGTZCDGHGPPOPL-UHFFFAOYSA-N -1 1 289.282 3.009 20 0 CGADMM Cc1cc(F)nc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670082 809739415 /nfs/dbraw/zinc/73/94/15/809739415.db2.gz QOGFBZYLBBWZGV-UHFFFAOYSA-N -1 1 272.201 3.396 20 0 CGADMM [O-]c1ccc(Cl)c(Nc2cnc3nonc3c2)c1Cl ZINC001176696398 809742887 /nfs/dbraw/zinc/74/28/87/809742887.db2.gz XYRUBBJOZUBILT-UHFFFAOYSA-N -1 1 297.101 3.374 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001179504172 809925934 /nfs/dbraw/zinc/92/59/34/809925934.db2.gz UYGYCQBIQWNMCC-LRDDRELGSA-N -1 1 289.350 3.182 20 0 CGADMM Cc1cc(NC(=O)c2ccc([O-])cc2F)n(C2CCC2)n1 ZINC001186318915 810327388 /nfs/dbraw/zinc/32/73/88/810327388.db2.gz SHMGJEVWWLXWLN-UHFFFAOYSA-N -1 1 289.310 3.014 20 0 CGADMM [O-]c1cc(F)c(Nc2c(F)cc(CO)cc2F)cc1F ZINC001214098934 815369354 /nfs/dbraw/zinc/36/93/54/815369354.db2.gz GTWLSKZNPLTTJC-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM CC(C)c1cccnc1NC(=O)c1ncc(C(F)(F)F)[n-]1 ZINC001188281640 810474131 /nfs/dbraw/zinc/47/41/31/810474131.db2.gz YSOAOJAMEHQQID-UHFFFAOYSA-N -1 1 298.268 3.199 20 0 CGADMM CC(C)c1cccnc1NC(=O)c1nc(C(F)(F)F)c[n-]1 ZINC001188281640 810474136 /nfs/dbraw/zinc/47/41/36/810474136.db2.gz YSOAOJAMEHQQID-UHFFFAOYSA-N -1 1 298.268 3.199 20 0 CGADMM Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])ccn1 ZINC001188789753 810514668 /nfs/dbraw/zinc/51/46/68/810514668.db2.gz KALHPMQPWTXXPL-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM COc1cccc(CSc2nc(C)c(C)c(=O)[n-]2)c1C ZINC001189061677 810539924 /nfs/dbraw/zinc/53/99/24/810539924.db2.gz RISPPERNSIPHDG-UHFFFAOYSA-N -1 1 290.388 3.408 20 0 CGADMM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)CCCF)c1 ZINC001189909378 810593470 /nfs/dbraw/zinc/59/34/70/810593470.db2.gz YHONIAQTDSMMKG-UHFFFAOYSA-N -1 1 299.289 3.115 20 0 CGADMM COc1cc(C(=O)N2C[C@@H](C)CC23CC3)cc(Cl)c1[O-] ZINC001191147379 810681541 /nfs/dbraw/zinc/68/15/41/810681541.db2.gz NOTANXCSYNGWIE-VIFPVBQESA-N -1 1 295.766 3.069 20 0 CGADMM Cc1c(C)c(NC(=O)c2c(F)ccc([O-])c2F)ccc1O ZINC001192539740 810806446 /nfs/dbraw/zinc/80/64/46/810806446.db2.gz IPGHIDISKRSKRS-UHFFFAOYSA-N -1 1 293.269 3.245 20 0 CGADMM O=C(Nc1ccc2oncc2c1)c1cc([O-])cc(F)c1F ZINC001192665600 810815343 /nfs/dbraw/zinc/81/53/43/810815343.db2.gz PIGPFOVNLUUDQX-UHFFFAOYSA-N -1 1 290.225 3.064 20 0 CGADMM CCCC[C@H](C)NC(=O)Nc1cc([O-])c(F)cc1F ZINC001193062148 810850099 /nfs/dbraw/zinc/85/00/99/810850099.db2.gz GFSJKOWUJBYDAS-QMMMGPOBSA-N -1 1 272.295 3.371 20 0 CGADMM Cc1ccc2nc([N-]S(=O)(=O)CC3CCC3)ccc2c1 ZINC001193474394 810892457 /nfs/dbraw/zinc/89/24/57/810892457.db2.gz PZKOLIFUPBTRHY-UHFFFAOYSA-N -1 1 290.388 3.085 20 0 CGADMM COCOc1cccc(F)c1Nc1ccnc(Cl)c1[O-] ZINC001214435182 815408987 /nfs/dbraw/zinc/40/89/87/815408987.db2.gz KKIGNTFDFXYDMI-UHFFFAOYSA-N -1 1 298.701 3.306 20 0 CGADMM CCCCCOC(=O)Nc1cc(F)c([O-])cc1F ZINC001193768935 810951012 /nfs/dbraw/zinc/95/10/12/810951012.db2.gz CHNSXSGRBHJDCZ-UHFFFAOYSA-N -1 1 259.252 3.409 20 0 CGADMM Nc1cccc(O)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214491555 815417481 /nfs/dbraw/zinc/41/74/81/815417481.db2.gz BODWJZPMSGQGHT-UHFFFAOYSA-N -1 1 268.675 3.216 20 0 CGADMM COc1ccc(CO)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214492006 815417746 /nfs/dbraw/zinc/41/77/46/815417746.db2.gz PBYJUGIUWYUSIG-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cnc2Cl)CC(C)(C)C1 ZINC001195311891 811240305 /nfs/dbraw/zinc/24/03/05/811240305.db2.gz CPCYDCZSBCCIQR-NXEZZACHSA-N -1 1 296.798 3.385 20 0 CGADMM CCOC(=O)[N-]C(=S)N=c1[nH]c2ccc(C)cc2s1 ZINC001195455113 811257235 /nfs/dbraw/zinc/25/72/35/811257235.db2.gz QVWXISWTEZTYFT-UHFFFAOYSA-N -1 1 295.389 3.048 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1c(C)cccc1CC ZINC001195487286 811259979 /nfs/dbraw/zinc/25/99/79/811259979.db2.gz QEESVWXTWMWNBX-UHFFFAOYSA-N -1 1 266.366 3.000 20 0 CGADMM CC[C@@H](C)NC(=S)Nc1cccc([O-])c1Cl ZINC001200482372 811702111 /nfs/dbraw/zinc/70/21/11/811702111.db2.gz MQCQLTDPSZUMMJ-SSDOTTSWSA-N -1 1 258.774 3.131 20 0 CGADMM [O-]c1ccc(NC(=S)NC2CCCCC2)c(F)c1F ZINC001200650793 811728061 /nfs/dbraw/zinc/72/80/61/811728061.db2.gz YMAPQZOROIVLLH-UHFFFAOYSA-N -1 1 286.347 3.290 20 0 CGADMM CC(C)(C)c1nnc([N-]c2cnn(C(F)F)c2)s1 ZINC001201723588 811946964 /nfs/dbraw/zinc/94/69/64/811946964.db2.gz WQXQIIKHJNZKSF-UHFFFAOYSA-N -1 1 273.312 3.171 20 0 CGADMM O=C(Nc1ccc(F)cc1F)Nc1cccc(F)c1[O-] ZINC001202023394 811998358 /nfs/dbraw/zinc/99/83/58/811998358.db2.gz ZMBPLOLGIOSYDQ-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM O=C(Nc1ccc(F)cc1F)Nc1c([O-])cccc1F ZINC001202020244 811998468 /nfs/dbraw/zinc/99/84/68/811998468.db2.gz NSNJDBGEAWIHIM-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM COc1ccc(NC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC001202392293 812082990 /nfs/dbraw/zinc/08/29/90/812082990.db2.gz XNGAWMMHWAKNBZ-UHFFFAOYSA-N -1 1 276.267 3.184 20 0 CGADMM COc1ccc(NC(=O)Nc2c([O-])cccc2F)c(C)c1 ZINC001202725242 812159019 /nfs/dbraw/zinc/15/90/19/812159019.db2.gz HASUWUDPVISVQA-UHFFFAOYSA-N -1 1 290.294 3.492 20 0 CGADMM CC(C)Cn1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cn1 ZINC001205888726 813120022 /nfs/dbraw/zinc/12/00/22/813120022.db2.gz RYJWIGYYYRWPAG-UHFFFAOYSA-N -1 1 297.362 3.174 20 0 CGADMM CC(C)(C)Oc1ccnc(-c2ccc([O-])cc2F)n1 ZINC001206030194 813173270 /nfs/dbraw/zinc/17/32/70/813173270.db2.gz PIKTZMQNNXDPAR-UHFFFAOYSA-N -1 1 262.284 3.166 20 0 CGADMM Cc1cc(-c2csc(C(=O)[O-])c2)cc2nc[nH]c21 ZINC001206272266 813265499 /nfs/dbraw/zinc/26/54/99/813265499.db2.gz IGQAPPUGRTUUBY-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM Cc1ccc(Nc2cc(F)c([O-])c(F)c2)c(O)c1 ZINC001206282203 813269796 /nfs/dbraw/zinc/26/97/96/813269796.db2.gz KYLIYOURXMDNGN-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM CC(C)(C)c1nnc([N-]c2cnn(C(F)(F)F)c2)s1 ZINC001210357240 814419570 /nfs/dbraw/zinc/41/95/70/814419570.db2.gz CSYZRCNKEHNTLP-UHFFFAOYSA-N -1 1 291.302 3.252 20 0 CGADMM CSc1cc(C)ccc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001215873199 815619316 /nfs/dbraw/zinc/61/93/16/815619316.db2.gz LMEJIWLQILAOKX-UHFFFAOYSA-N -1 1 285.372 3.344 20 0 CGADMM CC(C)(C)c1nc([N-]c2cncc(N3CCCC3)c2)no1 ZINC001210605874 814552964 /nfs/dbraw/zinc/55/29/64/814552964.db2.gz OTDHRKZYUWZPBG-UHFFFAOYSA-N -1 1 287.367 3.106 20 0 CGADMM C[C@H](O)c1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001210643950 814568665 /nfs/dbraw/zinc/56/86/65/814568665.db2.gz IJPCQIFKTRTYLY-JTQLQIEISA-N -1 1 297.310 3.296 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cc(O)ccc1F ZINC001210799927 814632535 /nfs/dbraw/zinc/63/25/35/814632535.db2.gz MASIVXTWZPBEPU-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1c[nH]c2ncccc12 ZINC001210936181 814680872 /nfs/dbraw/zinc/68/08/72/814680872.db2.gz CPWQAVZZUIBUQY-UHFFFAOYSA-N -1 1 260.684 3.061 20 0 CGADMM CCOC(=O)c1cc(Cl)cnc1[N-]c1nccs1 ZINC001210989840 814700759 /nfs/dbraw/zinc/70/07/59/814700759.db2.gz RFWUEKPOMLIGQF-UHFFFAOYSA-N -1 1 283.740 3.112 20 0 CGADMM COc1cnc(F)cc1-c1cccc([O-])c1Cl ZINC001242799542 823136853 /nfs/dbraw/zinc/13/68/53/823136853.db2.gz QNMUGVZKCGVRRW-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM Cc1cc(-c2cccc([O-])c2Cl)ccc1C(N)=O ZINC001242802662 823137828 /nfs/dbraw/zinc/13/78/28/823137828.db2.gz NVJDYIDOZHXNME-UHFFFAOYSA-N -1 1 261.708 3.120 20 0 CGADMM O=c1ccc(-c2cccc([O-])c2Cl)cn1-c1cccnc1 ZINC001242802355 823137870 /nfs/dbraw/zinc/13/78/70/823137870.db2.gz XXVSSZFMIIAHME-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM Cn1cncc1Nc1cc(C(F)(F)F)ccc1[S-] ZINC001211249443 814861158 /nfs/dbraw/zinc/86/11/58/814861158.db2.gz QZSVYOOUZNHTKD-UHFFFAOYSA-N -1 1 273.283 3.471 20 0 CGADMM Cc1nc2[nH]ccc2cc1-c1cc(F)c([O-])cc1F ZINC001211352656 814884188 /nfs/dbraw/zinc/88/41/88/814884188.db2.gz NPABNCRUFMSVGG-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM CN1Cc2ccc(-c3cc(F)c([O-])cc3F)cc2NC1=O ZINC001211359390 814885376 /nfs/dbraw/zinc/88/53/76/814885376.db2.gz GBTMPRHCOUSLMI-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM CCOC(=O)c1ncc(-c2cc(F)c([O-])cc2F)cc1C ZINC001211359805 814886615 /nfs/dbraw/zinc/88/66/15/814886615.db2.gz MUQVKPIMLOZQLD-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COCOc1ccccc1[N-]c1nnc(-c2ccco2)o1 ZINC001211552124 814906518 /nfs/dbraw/zinc/90/65/18/814906518.db2.gz GMJBZXJHVHGNDM-UHFFFAOYSA-N -1 1 287.275 3.056 20 0 CGADMM CSc1ccc(Nc2cc(=O)[n-]c(SC)n2)c(C)n1 ZINC001215908662 815626880 /nfs/dbraw/zinc/62/68/80/815626880.db2.gz YKXYBORZBAUGPE-UHFFFAOYSA-N -1 1 294.405 3.073 20 0 CGADMM [O-]c1cccc(-c2nc(-c3cccc(F)c3)no2)c1F ZINC001215984774 815651274 /nfs/dbraw/zinc/65/12/74/815651274.db2.gz YPVHTZJAXVCDMZ-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM COc1cc(Nc2cc([O-])c(Cl)cc2F)cnc1F ZINC001216422648 815823300 /nfs/dbraw/zinc/82/33/00/815823300.db2.gz ZCEUKLCJLYISTD-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cncc(OCC2CC2)c1 ZINC001216598975 815872406 /nfs/dbraw/zinc/87/24/06/815872406.db2.gz ZLYIZBBUJYDBRJ-UHFFFAOYSA-N -1 1 291.738 3.368 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccccc3SC)nc2[n-]1 ZINC001242944008 823182767 /nfs/dbraw/zinc/18/27/67/823182767.db2.gz PIKMMCCSOMHHMB-UHFFFAOYSA-N -1 1 299.355 3.133 20 0 CGADMM CSc1cnccc1-c1cc(F)c([O-])cc1F ZINC001222083128 816343906 /nfs/dbraw/zinc/34/39/06/816343906.db2.gz PAFIMSBGVUHFIA-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM CCCCC[C@@H](OCc1nn[n-]n1)[C@H](C)CCC ZINC001223027345 816554311 /nfs/dbraw/zinc/55/43/11/816554311.db2.gz OFBNGGQMVPWIJD-VXGBXAGGSA-N -1 1 254.378 3.101 20 0 CGADMM O=[P@]([O-])(O)CCCCO[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001225018537 816933301 /nfs/dbraw/zinc/93/33/01/816933301.db2.gz AFJXZXKQQWPZLC-BFHYXJOUSA-N -1 1 290.340 3.320 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)c1nccs1 ZINC001225618653 817114007 /nfs/dbraw/zinc/11/40/07/817114007.db2.gz HQPRFTMKTAMLOS-VIFPVBQESA-N -1 1 263.318 3.191 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H](C)c1ccncc1F ZINC001225618713 817114392 /nfs/dbraw/zinc/11/43/92/817114392.db2.gz IPZGQWGKKDPELF-SNVBAGLBSA-N -1 1 275.279 3.269 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H](C)c1ccc(F)cc1 ZINC001226242326 817308706 /nfs/dbraw/zinc/30/87/06/817308706.db2.gz LPMRVKKJRFWYHT-QMMMGPOBSA-N -1 1 280.324 3.053 20 0 CGADMM CC(C)[C@H]1CC[C@H](C)C[C@H]1Oc1cnc[n-]c1=O ZINC001227048873 817543152 /nfs/dbraw/zinc/54/31/52/817543152.db2.gz MUUWPPLTEBQUHG-QJPTWQEYSA-N -1 1 250.342 3.022 20 0 CGADMM CCCC[C@@H](Oc1cnc[n-]c1=O)c1ccccc1 ZINC001227048968 817543826 /nfs/dbraw/zinc/54/38/26/817543826.db2.gz ODVFZBBEZIEKGB-CYBMUJFWSA-N -1 1 258.321 3.493 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@H]1CC[C@H](C)CC1 ZINC001227169391 817578260 /nfs/dbraw/zinc/57/82/60/817578260.db2.gz SRTPTWSVPFYSJM-AULYBMBSSA-N -1 1 278.348 3.179 20 0 CGADMM Cc1cc(C(=O)[O-])cc(-c2cc(F)c3c(c2)CN(C)CC3)c1 ZINC001243181958 823277218 /nfs/dbraw/zinc/27/72/18/823277218.db2.gz VRBSFOPIARKVPB-UHFFFAOYSA-N -1 1 299.345 3.487 20 0 CGADMM [O-]c1cc(Cl)c(O[C@@H]2CCCOC2)cc1Cl ZINC001227641839 817686130 /nfs/dbraw/zinc/68/61/30/817686130.db2.gz RYPODJMJNCKINA-SSDOTTSWSA-N -1 1 263.120 3.257 20 0 CGADMM CC1=C[C@H](Oc2cc(Cl)c([O-])cc2Cl)CC(=O)O1 ZINC001227640788 817686398 /nfs/dbraw/zinc/68/63/98/817686398.db2.gz GOAOUZYWGHGNAM-ZETCQYMHSA-N -1 1 289.114 3.297 20 0 CGADMM C[C@@H]1OCc2c1nc(=O)[n-]c2O[C@@H](c1ccccc1)C1CC1 ZINC001227710552 817699911 /nfs/dbraw/zinc/69/99/11/817699911.db2.gz MALFEXCGVAUKRF-BONVTDFDSA-N -1 1 298.342 3.304 20 0 CGADMM CSc1nc(O[C@H](C)c2ccc(F)c(F)c2)cc(=O)[n-]1 ZINC001228094937 817811968 /nfs/dbraw/zinc/81/19/68/817811968.db2.gz OJJUBDQZMVLAOJ-SSDOTTSWSA-N -1 1 298.314 3.322 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1OC1CCCC1 ZINC001228556447 817937802 /nfs/dbraw/zinc/93/78/02/817937802.db2.gz PAQSFYDYESRYMW-UHFFFAOYSA-N -1 1 250.294 3.012 20 0 CGADMM FC1(F)CC[C@@H](Oc2[n-]c(=S)nc3ccccc32)C1 ZINC001228763630 818001906 /nfs/dbraw/zinc/00/19/06/818001906.db2.gz CLVYURCUUHLDQJ-MRVPVSSYSA-N -1 1 282.315 3.485 20 0 CGADMM COC1=CC[C@@H](Oc2[n-]c(=S)nc3ccccc32)CC1 ZINC001228767419 818002851 /nfs/dbraw/zinc/00/28/51/818002851.db2.gz ZHTJVTWJRPFVSR-LLVKDONJSA-N -1 1 288.372 3.380 20 0 CGADMM [O-]c1cccnc1-c1ncccc1O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001231199546 818056642 /nfs/dbraw/zinc/05/66/42/818056642.db2.gz DOBOZSKJIJGSMF-ZOWXZIJZSA-N -1 1 280.327 3.193 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccccc1OC[C@H]1CCCO1 ZINC001231231292 818062570 /nfs/dbraw/zinc/06/25/70/818062570.db2.gz UPNCMCFYUHEHKX-OAHLLOKOSA-N -1 1 298.338 3.181 20 0 CGADMM Cc1cc(OC(C)C)ccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001243278188 823322627 /nfs/dbraw/zinc/32/26/27/823322627.db2.gz HDCJJVAVPZKKPY-UHFFFAOYSA-N -1 1 295.346 3.024 20 0 CGADMM Cc1cc(OC(C)C)ccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001243278188 823322635 /nfs/dbraw/zinc/32/26/35/823322635.db2.gz HDCJJVAVPZKKPY-UHFFFAOYSA-N -1 1 295.346 3.024 20 0 CGADMM Cc1cc([C@H]2CCCN2Cc2ccc(F)c([O-])c2F)no1 ZINC001232930650 818475233 /nfs/dbraw/zinc/47/52/33/818475233.db2.gz CRPPXBKERRZTHG-CYBMUJFWSA-N -1 1 294.301 3.304 20 0 CGADMM O=C1CCN(Cc2ccc(F)c([O-])c2F)[C@H]2CCCC[C@H]12 ZINC001232931619 818475532 /nfs/dbraw/zinc/47/55/32/818475532.db2.gz PDUSDMZDANCWAU-AAEUAGOBSA-N -1 1 295.329 3.004 20 0 CGADMM [O-]c1cc(CN2CCc3cc(F)ccc3C2)cc(F)c1F ZINC001232972752 818488199 /nfs/dbraw/zinc/48/81/99/818488199.db2.gz ALADXCDLFUFLSZ-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1CCO[C@@H](C)C1 ZINC001233650959 818669870 /nfs/dbraw/zinc/66/98/70/818669870.db2.gz UXICNWFJRAZWEB-AAEUAGOBSA-N -1 1 278.348 3.321 20 0 CGADMM O=C1Nc2cccc(-c3ccc([O-])c(F)c3F)c2C12CC2 ZINC001243341801 823355701 /nfs/dbraw/zinc/35/57/01/823355701.db2.gz YBJZDWKAQOUQDI-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM COc1nc2[nH]ccc2cc1-c1ccc([O-])c(F)c1F ZINC001243341495 823356420 /nfs/dbraw/zinc/35/64/20/823356420.db2.gz RLCGMJNRBKIKBE-UHFFFAOYSA-N -1 1 276.242 3.174 20 0 CGADMM CC(C)n1cc(-c2ccc([O-])c(F)c2F)ccc1=O ZINC001243341574 823356534 /nfs/dbraw/zinc/35/65/34/823356534.db2.gz USYOSTARIOJOIN-UHFFFAOYSA-N -1 1 265.259 3.080 20 0 CGADMM COC(=O)c1cc(-c2ccc([O-])c(F)c2F)ccc1OC ZINC001243342294 823357162 /nfs/dbraw/zinc/35/71/62/823357162.db2.gz FGGALGMJMQHKHR-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM COc1cccc(OC)c1-c1ccc([O-])c(F)c1F ZINC001243342578 823357388 /nfs/dbraw/zinc/35/73/88/823357388.db2.gz JEIFQNQOXZPQCY-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM CCOCc1cncc(-c2ccc([O-])c(F)c2F)c1 ZINC001243343724 823358747 /nfs/dbraw/zinc/35/87/47/823358747.db2.gz OVMVIPOZMJMFQT-UHFFFAOYSA-N -1 1 265.259 3.269 20 0 CGADMM COc1cc(-c2ccc([O-])c(F)c2F)cc(C)n1 ZINC001243344046 823359115 /nfs/dbraw/zinc/35/91/15/823359115.db2.gz WPNFQJFMKDLBGL-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COC(=O)c1ccc(OC)c(-c2ccc([O-])c(F)c2F)c1 ZINC001243343328 823359642 /nfs/dbraw/zinc/35/96/42/823359642.db2.gz VSFKYXXINDWUBE-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM COc1cc(-c2c(F)ccc(C)c2[O-])nc(SC)n1 ZINC001236393277 819448606 /nfs/dbraw/zinc/44/86/06/819448606.db2.gz RDYHUKUDXNJVNU-UHFFFAOYSA-N -1 1 280.324 3.027 20 0 CGADMM Cn1ccc2cc(-c3cc(F)cc(F)c3[O-])cnc21 ZINC001243503256 823422595 /nfs/dbraw/zinc/42/25/95/823422595.db2.gz FHDFETRVXSGHGS-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)cc(F)c2[O-])cc1OC ZINC001243505236 823423131 /nfs/dbraw/zinc/42/31/31/823423131.db2.gz XZGXNGFQMSFOIJ-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM CC(=O)Oc1cccc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243504734 823423200 /nfs/dbraw/zinc/42/32/00/823423200.db2.gz OWRKNJOTKOXDRU-UHFFFAOYSA-N -1 1 264.227 3.263 20 0 CGADMM COC(=O)Cc1ccc(-c2cc(F)cc(F)c2[O-])cc1F ZINC001243505505 823423387 /nfs/dbraw/zinc/42/33/87/823423387.db2.gz HBWCVFIYOYEXBI-UHFFFAOYSA-N -1 1 296.244 3.192 20 0 CGADMM Cn1c(=O)c(-c2cc(F)cc(F)c2[O-])cc2ccccc21 ZINC001243506164 823424064 /nfs/dbraw/zinc/42/40/64/823424064.db2.gz YOOPLPJPKBXELJ-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM [O-]c1c(CN2CCCC23CC3)cc(Cl)nc1Cl ZINC001237525041 819772614 /nfs/dbraw/zinc/77/26/14/819772614.db2.gz JQRCTUOZLNYHQV-UHFFFAOYSA-N -1 1 273.163 3.222 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N)c2)cc1Cl ZINC001237599492 819786022 /nfs/dbraw/zinc/78/60/22/819786022.db2.gz QYUWXMOKAKDZKQ-UHFFFAOYSA-N -1 1 296.779 3.031 20 0 CGADMM COc1nc(-c2cccc([O-])c2F)ncc1C(F)(F)F ZINC001243542965 823436335 /nfs/dbraw/zinc/43/63/35/823436335.db2.gz APUANOUPTNYDHR-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM COCOc1ccc(-c2ccc(Cl)c([O-])c2)nc1 ZINC001243576077 823451584 /nfs/dbraw/zinc/45/15/84/823451584.db2.gz GYJBIGQBPNNTAP-UHFFFAOYSA-N -1 1 265.696 3.090 20 0 CGADMM CN1Cc2cccc(-c3ccc(Cl)c([O-])c3)c2C1=O ZINC001243577961 823452208 /nfs/dbraw/zinc/45/22/08/823452208.db2.gz HSKHBOHNJBSVAQ-UHFFFAOYSA-N -1 1 273.719 3.298 20 0 CGADMM [O-]c1cc(-c2cnc(N3CCCCC3)nc2)ccc1Cl ZINC001243581000 823453727 /nfs/dbraw/zinc/45/37/27/823453727.db2.gz HZVGJSAVRXZSJH-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM COC(=O)c1ncc(-c2ccc(Cl)c([O-])c2)cc1C ZINC001243578814 823452979 /nfs/dbraw/zinc/45/29/79/823452979.db2.gz SUCBWMBHBSRNJV-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM O=c1ocnc2ccc(-c3ccc(Cl)c([O-])c3)cc12 ZINC001243581699 823454011 /nfs/dbraw/zinc/45/40/11/823454011.db2.gz RPLLCYOLXIJOIQ-UHFFFAOYSA-N -1 1 273.675 3.214 20 0 CGADMM COc1ccc(-c2ccc(Cl)c([O-])c2)c(F)n1 ZINC001243581087 823454067 /nfs/dbraw/zinc/45/40/67/823454067.db2.gz ATOGRTPFKABIRM-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM CN1CCc2c(-c3ccc(Cl)c([O-])c3)cccc2C1=O ZINC001243581103 823454443 /nfs/dbraw/zinc/45/44/43/823454443.db2.gz BTUGPRANSZQJKP-UHFFFAOYSA-N -1 1 287.746 3.341 20 0 CGADMM CON(C)C(=O)c1ccccc1-c1ccc(Cl)c([O-])c1 ZINC001243583409 823454931 /nfs/dbraw/zinc/45/49/31/823454931.db2.gz NGQZNOQDYFLKAW-UHFFFAOYSA-N -1 1 291.734 3.346 20 0 CGADMM O=c1cnc(-c2ccc(Cl)c([O-])c2)cn1CC1CCC1 ZINC001243582611 823454984 /nfs/dbraw/zinc/45/49/84/823454984.db2.gz AWSQYEPQOLQODI-UHFFFAOYSA-N -1 1 290.750 3.069 20 0 CGADMM COC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)c(C)n1 ZINC001243583428 823454993 /nfs/dbraw/zinc/45/49/93/823454993.db2.gz NPGQWVSAAVXRRH-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM [O-]c1cc(-c2ccc(F)c(-c3nn[nH]n3)c2)ccc1Cl ZINC001243583620 823455683 /nfs/dbraw/zinc/45/56/83/823455683.db2.gz JPAKMJFGVDLOKS-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM CCc1cncnc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243609409 823466542 /nfs/dbraw/zinc/46/65/42/823466542.db2.gz RZNHTJUVHQKRIR-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM Cc1cnc(C)c(-c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001243609414 823466684 /nfs/dbraw/zinc/46/66/84/823466684.db2.gz SBANLQMNRAZZNO-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1ncnn2cccc12 ZINC001243612032 823466823 /nfs/dbraw/zinc/46/68/23/823466823.db2.gz PWJNELPUAKVRCD-UHFFFAOYSA-N -1 1 279.221 3.121 20 0 CGADMM COc1nc(C)nc(-c2ccc(C(F)(F)F)cc2[O-])c1C ZINC001243610634 823467133 /nfs/dbraw/zinc/46/71/33/823467133.db2.gz LNLOUWMPHFDGET-UHFFFAOYSA-N -1 1 298.264 3.493 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(C(C)=O)cc3)ccc2[n-]1 ZINC001239630644 820475659 /nfs/dbraw/zinc/47/56/59/820475659.db2.gz HXAZNXUMKYIEBB-UHFFFAOYSA-N -1 1 294.310 3.219 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(C(C)=O)cc3)cc2[n-]1 ZINC001239630644 820475663 /nfs/dbraw/zinc/47/56/63/820475663.db2.gz HXAZNXUMKYIEBB-UHFFFAOYSA-N -1 1 294.310 3.219 20 0 CGADMM [O-]c1ccc(F)cc1-c1ncnc2[nH]c3c(c21)CCCC3 ZINC001240694048 821249807 /nfs/dbraw/zinc/24/98/07/821249807.db2.gz NLCSEBATLIVATG-UHFFFAOYSA-N -1 1 283.306 3.348 20 0 CGADMM CSc1cc(-c2cc(F)ccc2[O-])nc(SC)n1 ZINC001240696157 821252378 /nfs/dbraw/zinc/25/23/78/821252378.db2.gz DMFPBSJDFPHKSI-UHFFFAOYSA-N -1 1 282.365 3.432 20 0 CGADMM COC(=O)c1cc2cc(-c3cc(F)ccc3[O-])ncc2o1 ZINC001240696131 821252467 /nfs/dbraw/zinc/25/24/67/821252467.db2.gz CFEBUSCLELEMLZ-UHFFFAOYSA-N -1 1 287.246 3.126 20 0 CGADMM COC(=O)n1ccc2ccc(-c3cc(F)ccc3[O-])nc21 ZINC001240696149 821252727 /nfs/dbraw/zinc/25/27/27/821252727.db2.gz DAQFPPVPELHUSF-UHFFFAOYSA-N -1 1 286.262 3.163 20 0 CGADMM [O-]c1ccc(F)cc1-c1ncnc2c1CCCCC2 ZINC001240696739 821253664 /nfs/dbraw/zinc/25/36/64/821253664.db2.gz WZXLJUMRCULPQV-UHFFFAOYSA-N -1 1 258.296 3.257 20 0 CGADMM COc1cccc2cnc(-c3ccc([O-])c(F)c3)nc21 ZINC001240781619 821322250 /nfs/dbraw/zinc/32/22/50/821322250.db2.gz CBYXQIGNJBORQM-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM [O-]c1ccc(-c2ncccc2OC(F)(F)F)cc1F ZINC001240783226 821323319 /nfs/dbraw/zinc/32/33/19/821323319.db2.gz PIUFSZBMSBOZGQ-UHFFFAOYSA-N -1 1 273.185 3.492 20 0 CGADMM Cn1c(=O)c(-c2ccc([O-])c(F)c2)cc2ccccc21 ZINC001240787190 821329502 /nfs/dbraw/zinc/32/95/02/821329502.db2.gz PZMUEDWAQDVYTR-UHFFFAOYSA-N -1 1 269.275 3.050 20 0 CGADMM CN(C)Cc1ccc(-c2ccc(C(=O)[O-])s2)cc1F ZINC001240848711 821370267 /nfs/dbraw/zinc/37/02/67/821370267.db2.gz KMHUBHVFXSZJLF-UHFFFAOYSA-N -1 1 279.336 3.314 20 0 CGADMM CC(C)c1nccc(-c2c(F)cc([O-])cc2F)n1 ZINC001241118242 821572615 /nfs/dbraw/zinc/57/26/15/821572615.db2.gz PESHPUSLVBQMKR-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM [O-]c1cc(F)c(-c2cc(C(F)(F)F)ncn2)c(F)c1 ZINC001241117862 821572732 /nfs/dbraw/zinc/57/27/32/821572732.db2.gz UWHDBOVXSQSTFK-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM [O-]c1cc(F)c(-c2cc(C(F)(F)F)cnn2)c(F)c1 ZINC001241118110 821573068 /nfs/dbraw/zinc/57/30/68/821573068.db2.gz HZMFJOBONKNFSI-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM CCCCN(C)c1cncc(-c2c(F)cc([O-])cc2F)n1 ZINC001241119381 821574344 /nfs/dbraw/zinc/57/43/44/821574344.db2.gz KRZRZBIXOZTLHP-UHFFFAOYSA-N -1 1 293.317 3.364 20 0 CGADMM CC(C)(C)c1cc(-c2c(F)cc([O-])cc2F)ncn1 ZINC001241120541 821576283 /nfs/dbraw/zinc/57/62/83/821576283.db2.gz ZPGXLRYWIHAHKU-UHFFFAOYSA-N -1 1 264.275 3.425 20 0 CGADMM CCOc1cc(-c2c(F)cc([O-])cc2F)ccn1 ZINC001241122037 821578881 /nfs/dbraw/zinc/57/88/81/821578881.db2.gz JNJRBOCLHVRNRR-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)c(C)c1 ZINC001241122310 821578928 /nfs/dbraw/zinc/57/89/28/821578928.db2.gz LRKLOHZCJJLFDO-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM Cn1cnc(-c2ccc(-c3c(F)cc([O-])cc3F)cc2)n1 ZINC001241121872 821579182 /nfs/dbraw/zinc/57/91/82/821579182.db2.gz QRTKVPSBOGTBHP-UHFFFAOYSA-N -1 1 287.269 3.133 20 0 CGADMM COc1nc2[nH]ccc2cc1-c1c(F)cc([O-])cc1F ZINC001241122827 821580387 /nfs/dbraw/zinc/58/03/87/821580387.db2.gz NESKHWKBFDIWRG-UHFFFAOYSA-N -1 1 276.242 3.174 20 0 CGADMM CN(C)C(=O)c1ccc(F)c(-c2c(F)cc([O-])cc2F)c1 ZINC001241124177 821581526 /nfs/dbraw/zinc/58/15/26/821581526.db2.gz CFJWHUJAHAFQME-UHFFFAOYSA-N -1 1 295.260 3.178 20 0 CGADMM Cc1ncc(-c2c(F)cc([O-])cc2F)c(C(F)(F)F)n1 ZINC001241124185 821582002 /nfs/dbraw/zinc/58/20/02/821582002.db2.gz CISPFNFOCXTOBX-UHFFFAOYSA-N -1 1 290.191 3.455 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc(-c3ccco3)n2)c1F ZINC001241289096 821706156 /nfs/dbraw/zinc/70/61/56/821706156.db2.gz KMQQNHKXBLMDDH-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc3c(n2)CCCC3)c1F ZINC001241291044 821708498 /nfs/dbraw/zinc/70/84/98/821708498.db2.gz HTILDNZVAUIXLL-UHFFFAOYSA-N -1 1 262.259 3.006 20 0 CGADMM O=C([O-])C=Cc1ccccc1-c1ccc2nc[nH]c2c1 ZINC001241697709 822079416 /nfs/dbraw/zinc/07/94/16/822079416.db2.gz IUYRORFZPCQDKY-SOFGYWHQSA-N -1 1 264.284 3.328 20 0 CGADMM CCc1nccc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242152882 822896434 /nfs/dbraw/zinc/89/64/34/822896434.db2.gz MVMLDSBARIPINH-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM [O-]c1c(F)cccc1-c1cc(C(F)(F)F)cn2ncnc12 ZINC001242351072 822961265 /nfs/dbraw/zinc/96/12/65/822961265.db2.gz CYSZVCFLEDLDRZ-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM O=c1ccc2cccc(-c3cccc(F)c3[O-])c2o1 ZINC001242351449 822961275 /nfs/dbraw/zinc/96/12/75/822961275.db2.gz LGEXQQRMZSONHM-UHFFFAOYSA-N -1 1 256.232 3.305 20 0 CGADMM CCOC(=O)c1ccc(OC)c(-c2cccc(F)c2[O-])c1 ZINC001242352610 822962392 /nfs/dbraw/zinc/96/23/92/822962392.db2.gz AFBFANSKOWCBHS-UHFFFAOYSA-N -1 1 290.290 3.384 20 0 CGADMM COc1c(F)c(F)ccc1-c1cccc(F)c1[O-] ZINC001242352774 822962569 /nfs/dbraw/zinc/96/25/69/822962569.db2.gz DFRWCKSBKCFVDS-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COc1ccc(-c2cccc(Cl)c2[O-])c(OC)n1 ZINC001242364362 822968459 /nfs/dbraw/zinc/96/84/59/822968459.db2.gz JKAIHXCOKRHXDN-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM [O-]c1c(Cl)cccc1-c1cnc(OCC2CC2)nc1 ZINC001242367760 822969529 /nfs/dbraw/zinc/96/95/29/822969529.db2.gz SIYBNWBBEHXZQS-UHFFFAOYSA-N -1 1 276.723 3.291 20 0 CGADMM O=C([N-]Cc1cc(C2CC2)ccc1F)C(F)(F)C(F)F ZINC001348313150 936917158 /nfs/dbraw/zinc/91/71/58/936917158.db2.gz MUNALJZPWOYXOQ-UHFFFAOYSA-N -1 1 293.235 3.220 20 0 CGADMM CCC1(CNC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000232947282 928206469 /nfs/dbraw/zinc/20/64/69/928206469.db2.gz DAQOHEMEVQZROL-UHFFFAOYSA-N -1 1 298.180 3.075 20 0 CGADMM CC(C)CC[C@@H](C)NC(=O)c1ncc2ccccc2c1[O-] ZINC001440893052 937334251 /nfs/dbraw/zinc/33/42/51/937334251.db2.gz YKGMUYCFQTXDDC-GFCCVEGCSA-N -1 1 286.375 3.495 20 0 CGADMM CCN(C(=O)C(=O)c1ccc([O-])cc1)c1cccc(C)c1C ZINC001442181129 937341079 /nfs/dbraw/zinc/34/10/79/937341079.db2.gz IWXCPKDQPNZVEX-UHFFFAOYSA-N -1 1 297.354 3.245 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(F)c([O-])c2)C[C@H]1C ZINC001447497030 937369197 /nfs/dbraw/zinc/36/91/97/937369197.db2.gz SJHQLFRKTICGCC-FOGDFJRCSA-N -1 1 265.328 3.086 20 0 CGADMM CC1(C)C(CNC(=O)c2ncc3ccccc3c2[O-])C1(C)C ZINC001448441069 937375158 /nfs/dbraw/zinc/37/51/58/937375158.db2.gz WHUPFSZZJMSYCS-UHFFFAOYSA-N -1 1 298.386 3.352 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NCC(C)(C)C(C)(C)C)c1 ZINC001450193776 937384101 /nfs/dbraw/zinc/38/41/01/937384101.db2.gz SHGCQBXNQAYOEP-UHFFFAOYSA-N -1 1 291.391 3.315 20 0 CGADMM COc1ccc(C(=O)Nc2cccc3oc(C)nc32)c([O-])c1 ZINC001449469063 937379798 /nfs/dbraw/zinc/37/97/98/937379798.db2.gz QQAOMJJYQZADGH-UHFFFAOYSA-N -1 1 298.298 3.103 20 0 CGADMM Cc1ccncc1/C=C/C(=O)Nc1cc([O-])c(F)cc1F ZINC001450901794 937387956 /nfs/dbraw/zinc/38/79/56/937387956.db2.gz VUKAOPZVRMXDPZ-NSCUHMNNSA-N -1 1 290.269 3.026 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001453017052 937399878 /nfs/dbraw/zinc/39/98/78/937399878.db2.gz QPEGBJVQYWNFBL-NILFDRSVSA-N -1 1 283.302 3.056 20 0 CGADMM CC[C@H]1CCCC[C@@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001453029699 937400686 /nfs/dbraw/zinc/40/06/86/937400686.db2.gz HOYNARSLIROKKA-FZMZJTMJSA-N -1 1 265.328 3.452 20 0 CGADMM Cc1cccc(CC2CN(C(=O)c3ccc(F)c([O-])c3)C2)c1 ZINC001453955217 937406148 /nfs/dbraw/zinc/40/61/48/937406148.db2.gz SYXXWGKFFSXBKU-UHFFFAOYSA-N -1 1 299.345 3.154 20 0 CGADMM CCc1ccc(O)c(C(=O)Nc2cccc(F)c2[O-])c1 ZINC001454753647 937411961 /nfs/dbraw/zinc/41/19/61/937411961.db2.gz FLLFZDHKMZLSLP-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM O=C(CCCn1cccc1)Nc1cc(F)c([O-])cc1Cl ZINC001456606489 937433145 /nfs/dbraw/zinc/43/31/45/937433145.db2.gz KWLLVMYEADOTLD-UHFFFAOYSA-N -1 1 296.729 3.405 20 0 CGADMM COc1cc(Cl)ccc1CSc1ncc(C)c(=O)[n-]1 ZINC001459097186 937479659 /nfs/dbraw/zinc/47/96/59/937479659.db2.gz XBELKVZUEWXPGH-UHFFFAOYSA-N -1 1 296.779 3.445 20 0 CGADMM CC[C@@H](Oc1cc([O-])cc2oc(=O)ccc12)C(C)C ZINC001229131352 932101774 /nfs/dbraw/zinc/10/17/74/932101774.db2.gz GSHTVYSLDRRMSU-GFCCVEGCSA-N -1 1 262.305 3.312 20 0 CGADMM CCC[C@@H](CC)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229218547 932118290 /nfs/dbraw/zinc/11/82/90/932118290.db2.gz NSZKVJCKFLZPPX-LLVKDONJSA-N -1 1 292.331 3.465 20 0 CGADMM COc1c(=O)[n-]c(C)nc1O[C@H](C)CCC=C(C)C ZINC001230021715 932523556 /nfs/dbraw/zinc/52/35/56/932523556.db2.gz OOJDBPVTAXHWMQ-SNVBAGLBSA-N -1 1 266.341 3.013 20 0 CGADMM CCC[C@@H](Oc1nc(C(=O)OC)c[n-]1)C1CCCCC1 ZINC001230281615 932551400 /nfs/dbraw/zinc/55/14/00/932551400.db2.gz BFAPLIKTRRBSOC-CYBMUJFWSA-N -1 1 280.368 3.324 20 0 CGADMM CO[C@@H](C)CCOc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231044117 932664586 /nfs/dbraw/zinc/66/45/86/932664586.db2.gz FIOPUUCZDFXHTK-LURJTMIESA-N -1 1 290.150 3.069 20 0 CGADMM CO[C@@H](C)CCOc1nc2cc(Cl)nc(Cl)c2[n-]1 ZINC001231044117 932664590 /nfs/dbraw/zinc/66/45/90/932664590.db2.gz FIOPUUCZDFXHTK-LURJTMIESA-N -1 1 290.150 3.069 20 0 CGADMM Clc1cc2[n-]c(OC3CC=CC3)nc2c(Cl)n1 ZINC001231044690 932664827 /nfs/dbraw/zinc/66/48/27/932664827.db2.gz NUYMNRBWRLRKQJ-UHFFFAOYSA-N -1 1 270.119 3.362 20 0 CGADMM Cc1cc(-c2cc(C)c([O-])c(Cl)c2)c(=O)n(C)c1 ZINC001244555631 932708481 /nfs/dbraw/zinc/70/84/81/932708481.db2.gz PLGQSJKPKOVEMG-UHFFFAOYSA-N -1 1 263.724 3.028 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccoc1 ZINC001304284974 932846984 /nfs/dbraw/zinc/84/69/84/932846984.db2.gz VVIJYSNKRCNTFO-UHFFFAOYSA-N -1 1 255.632 3.030 20 0 CGADMM [O-]c1ccc(CN[C@H]2C[C@]2(F)c2ccccc2)c(F)c1F ZINC001462366111 937635405 /nfs/dbraw/zinc/63/54/05/937635405.db2.gz WEFBRSPEWVRMJL-BBRMVZONSA-N -1 1 293.288 3.397 20 0 CGADMM CCCCC1(NC(=O)c2ncc3ccccc3c2[O-])CC1 ZINC001304876911 932859551 /nfs/dbraw/zinc/85/95/51/932859551.db2.gz RBJPFOFJNVJQQK-UHFFFAOYSA-N -1 1 284.359 3.393 20 0 CGADMM CC(C)C(=O)c1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC001306842393 932889647 /nfs/dbraw/zinc/88/96/47/932889647.db2.gz NPNXBGIDEMNNPS-UHFFFAOYSA-N -1 1 299.326 3.189 20 0 CGADMM CCc1ccc(C)nc1NC(=O)c1ccc([O-])c(F)c1 ZINC001306873433 932891863 /nfs/dbraw/zinc/89/18/63/932891863.db2.gz BCXHNQDHZFCUHS-UHFFFAOYSA-N -1 1 274.295 3.049 20 0 CGADMM COc1cccc([C@H](C)NC(=O)c2cccc([O-])c2F)c1 ZINC001464060250 937685286 /nfs/dbraw/zinc/68/52/86/937685286.db2.gz YCEVFNMKXBFVRD-JTQLQIEISA-N -1 1 289.306 3.031 20 0 CGADMM O=C(NCCC1CCCCC1)c1ccc(F)c([O-])c1 ZINC001464101369 937686294 /nfs/dbraw/zinc/68/62/94/937686294.db2.gz UPNYPXDRHNMLOJ-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@H]2CCC[C@@H](C)C2)c1 ZINC001464465667 937691053 /nfs/dbraw/zinc/69/10/53/937691053.db2.gz CZWRUCQWJMQDOU-YPMHNXCESA-N -1 1 289.375 3.069 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(F)c([O-])c2)C1 ZINC001464476055 937691348 /nfs/dbraw/zinc/69/13/48/937691348.db2.gz WMNUSVXEKJLSCP-GHMZBOCLSA-N -1 1 265.328 3.087 20 0 CGADMM Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc(F)c([O-])c1 ZINC001464982786 937696934 /nfs/dbraw/zinc/69/69/34/937696934.db2.gz AGVCWUKOCKMSKT-HNNXBMFYSA-N -1 1 285.318 3.257 20 0 CGADMM C[C@H]1CCCC[C@@H]1CCNC(=O)c1cccc([O-])c1F ZINC001465153169 937698467 /nfs/dbraw/zinc/69/84/67/937698467.db2.gz HUMVMJHQIVHSMC-NWDGAFQWSA-N -1 1 279.355 3.478 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1Cc2ccccc2C1 ZINC001464840804 937696153 /nfs/dbraw/zinc/69/61/53/937696153.db2.gz ABJVLXRPEVPPHA-UHFFFAOYSA-N -1 1 290.322 3.096 20 0 CGADMM O=C(NCC12CCC(CC1)C2)c1ccc(Cl)cc1[O-] ZINC001466558111 937710136 /nfs/dbraw/zinc/71/01/36/937710136.db2.gz DWRLATBQJQAUHM-UHFFFAOYSA-N -1 1 279.767 3.356 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)c1cccs1 ZINC001320783993 934103595 /nfs/dbraw/zinc/10/35/95/934103595.db2.gz YZUMMQAWHGNXFA-UHFFFAOYSA-N -1 1 298.161 3.469 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc(Br)c([O-])c2)o1 ZINC001321793708 934212878 /nfs/dbraw/zinc/21/28/78/934212878.db2.gz HBDRZNYGHXFVLB-UHFFFAOYSA-N -1 1 296.120 3.308 20 0 CGADMM C[C@@H]1Cc2cccc(C(=O)Nc3cccc(F)c3[O-])c2O1 ZINC001471168735 937761950 /nfs/dbraw/zinc/76/19/50/937761950.db2.gz RIRQPWWBLFYIKM-SECBINFHSA-N -1 1 287.290 3.107 20 0 CGADMM Cc1nc2ccc(C(=O)Nc3cccc(F)c3[O-])cc2o1 ZINC001471169338 937762092 /nfs/dbraw/zinc/76/20/92/937762092.db2.gz VIYHBZRNEDHRMQ-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM CC[C@@H](COC(=O)c1ccc([O-])cc1F)CC(F)F ZINC001327146744 935037047 /nfs/dbraw/zinc/03/70/47/935037047.db2.gz RZBFFJITDUIHRD-MRVPVSSYSA-N -1 1 276.254 3.370 20 0 CGADMM Cc1oc(CN(C)Cc2ccsc2C)cc1C(=O)[O-] ZINC001332406094 935466841 /nfs/dbraw/zinc/46/68/41/935466841.db2.gz HMDWGVLNIQCEOS-UHFFFAOYSA-N -1 1 279.361 3.288 20 0 CGADMM Cc1oc(CN(C)C[C@H]2CCCC(C)(C)O2)cc1C(=O)[O-] ZINC001334822917 936117632 /nfs/dbraw/zinc/11/76/32/936117632.db2.gz KRZIWGNXVXTIAK-GFCCVEGCSA-N -1 1 295.379 3.066 20 0 CGADMM CCC[C@@H](C)C[C@@H](NCc1ccc(OCC)o1)C(=O)[O-] ZINC001335183335 936132971 /nfs/dbraw/zinc/13/29/71/936132971.db2.gz AESYPEAKIOLOOP-DGCLKSJQSA-N -1 1 283.368 3.047 20 0 CGADMM CCC(CC)N(C(=O)c1ccc([O-])cc1F)C1CC1 ZINC001546224001 937916529 /nfs/dbraw/zinc/91/65/29/937916529.db2.gz ZTIITMAZFUOAMU-UHFFFAOYSA-N -1 1 265.328 3.325 20 0 CGADMM O=C([N-]c1nocc1C1CC1)c1sccc1F ZINC001536865962 938107141 /nfs/dbraw/zinc/10/71/41/938107141.db2.gz MEMVLXJCMFCHRX-UHFFFAOYSA-N -1 1 252.270 3.005 20 0 CGADMM Cc1ccc(NC(=O)c2cccc([O-])c2F)c(F)c1 ZINC001540508618 938131731 /nfs/dbraw/zinc/13/17/31/938131731.db2.gz HTFYXHSSAUTWTC-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM COc1cccc([C@H](C)NC(=O)c2ccc([O-])cc2F)c1 ZINC001540704213 938133169 /nfs/dbraw/zinc/13/31/69/938133169.db2.gz DTWPWJQYDSOUKZ-JTQLQIEISA-N -1 1 289.306 3.031 20 0 CGADMM COc1cccc([C@@H](C)NC(=O)c2ccc([O-])cc2F)c1 ZINC001540704214 938133175 /nfs/dbraw/zinc/13/31/75/938133175.db2.gz DTWPWJQYDSOUKZ-SNVBAGLBSA-N -1 1 289.306 3.031 20 0 CGADMM O=C([N-]c1cccc(F)c1F)c1conc1C(F)(F)F ZINC001542378051 938135904 /nfs/dbraw/zinc/13/59/04/938135904.db2.gz WEIKGNMEHNKCCB-UHFFFAOYSA-N -1 1 292.163 3.224 20 0 CGADMM CCc1ccc(N(CC)C(=O)c2ccc([O-])cn2)cc1 ZINC001543400910 938139254 /nfs/dbraw/zinc/13/92/54/938139254.db2.gz YYOLICULWHNAGZ-UHFFFAOYSA-N -1 1 270.332 3.016 20 0 CGADMM CCCCOc1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC001543476866 938139793 /nfs/dbraw/zinc/13/97/93/938139793.db2.gz SJRGEOIQCPHAEV-UHFFFAOYSA-N -1 1 286.331 3.218 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(F)c([O-])c2)o1 ZINC001544634500 938146205 /nfs/dbraw/zinc/14/62/05/938146205.db2.gz YKNGQCAZOPUDED-CABZTGNLSA-N -1 1 289.306 3.178 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H]1C ZINC001545336199 938149450 /nfs/dbraw/zinc/14/94/50/938149450.db2.gz RCOLUUMOUNRMKM-BDAKNGLRSA-N -1 1 287.281 3.282 20 0 CGADMM CSc1cccnc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001556592572 938204581 /nfs/dbraw/zinc/20/45/81/938204581.db2.gz SRZQJRLUJBLYDB-UHFFFAOYSA-N -1 1 296.298 3.040 20 0 CGADMM C[C@H](C(=O)[N-]OCc1ccccn1)c1cccc(Cl)c1 ZINC001556953071 938206954 /nfs/dbraw/zinc/20/69/54/938206954.db2.gz NBVNXHZTMJPZPF-NSHDSACASA-N -1 1 290.750 3.087 20 0 CGADMM CCc1ccc(O)c(C(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001557086886 938207714 /nfs/dbraw/zinc/20/77/14/938207714.db2.gz KFZNROTVZWRCDC-UHFFFAOYSA-N -1 1 293.269 3.191 20 0 CGADMM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1ncccc1[O-] ZINC001557949645 938212666 /nfs/dbraw/zinc/21/26/66/938212666.db2.gz KUYBZMMGBVUWNN-GOSISDBHSA-N -1 1 298.386 3.174 20 0 CGADMM Cc1noc(C)c1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001558644059 938216919 /nfs/dbraw/zinc/21/69/19/938216919.db2.gz SNSYQUWNSWJUEF-UHFFFAOYSA-N -1 1 284.674 3.042 20 0 CGADMM O=C(N[C@@H]1CCCc2ccccc2C1)c1cccc([O-])c1F ZINC001558648507 938216937 /nfs/dbraw/zinc/21/69/37/938216937.db2.gz UKPVRWZMWOLGNS-CQSZACIVSA-N -1 1 299.345 3.209 20 0 CGADMM CCC[C@](C)(NC(=O)c1ncccc1[O-])c1ccccc1 ZINC001558779928 938217776 /nfs/dbraw/zinc/21/77/76/938217776.db2.gz BQYJHXCKUCAVCL-KRWDZBQOSA-N -1 1 284.359 3.233 20 0 CGADMM CC(C)c1ccc2c(c1)CCN(C(=O)c1cncc([O-])c1)C2 ZINC001558860071 938218120 /nfs/dbraw/zinc/21/81/20/938218120.db2.gz ZMMCJTCERJSFEI-UHFFFAOYSA-N -1 1 296.370 3.109 20 0 CGADMM Cc1nc(SCC2CCCCC2)[n-]c(=O)c1C ZINC001559393519 938226070 /nfs/dbraw/zinc/22/60/70/938226070.db2.gz QVZRGJWOVUVUHQ-UHFFFAOYSA-N -1 1 252.383 3.471 20 0 CGADMM C[C@H](CC1CCC1)[N-]S(=O)(=O)c1sccc1Cl ZINC001561797734 938296655 /nfs/dbraw/zinc/29/66/55/938296655.db2.gz RDWVGXYUQDHSPD-MRVPVSSYSA-N -1 1 293.841 3.259 20 0 CGADMM O=C([O-])c1cccc(CN2CC[C@](F)(c3ccccc3)C2)c1 ZINC001595242171 949476172 /nfs/dbraw/zinc/47/61/72/949476172.db2.gz MQTIFFSVWLAHLL-GOSISDBHSA-N -1 1 299.345 3.456 20 0 CGADMM O=C([O-])c1ccccc1CNCc1ccc(Cl)cc1F ZINC000394274633 951450072 /nfs/dbraw/zinc/45/00/72/951450072.db2.gz XLEDBSWACMXPEF-UHFFFAOYSA-N -1 1 293.725 3.467 20 0 CGADMM C[C@@H](c1ccc(F)c(F)c1)N1CCC(CC(=O)[O-])CC1 ZINC000093682530 958256822 /nfs/dbraw/zinc/25/68/22/958256822.db2.gz TWJQSOFGHOJRLT-JTQLQIEISA-N -1 1 283.318 3.213 20 0 CGADMM C/C(=C/C(=O)[O-])CSc1nc2ccc(Cl)cc2[nH]1 ZINC001588952309 960491946 /nfs/dbraw/zinc/49/19/46/960491946.db2.gz NEWYPUYIIYOSFP-DAXSKMNVSA-N -1 1 282.752 3.339 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001565786115 960825594 /nfs/dbraw/zinc/82/55/94/960825594.db2.gz VUUNMJOGPFITLB-GHMZBOCLSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)c(C)c1O ZINC001566332590 960921567 /nfs/dbraw/zinc/92/15/67/960921567.db2.gz KAWKHRFXEMGZFK-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM Cc1ccc(CNCc2ccc(C(=O)[O-])s2)c(Cl)n1 ZINC001574367475 961048719 /nfs/dbraw/zinc/04/87/19/961048719.db2.gz IINGTVVYIOVJLM-UHFFFAOYSA-N -1 1 296.779 3.093 20 0 CGADMM CC[C@H](C)c1ncc(NC(=O)c2ccc(F)c([O-])c2)cn1 ZINC001568093280 961503145 /nfs/dbraw/zinc/50/31/45/961503145.db2.gz LFTYEJMTMPJZRV-VIFPVBQESA-N -1 1 289.310 3.087 20 0 CGADMM O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)c1ncccc1[O-] ZINC001569641433 961814019 /nfs/dbraw/zinc/81/40/19/961814019.db2.gz UZKYYXAGQRLSOD-HUUCEWRRSA-N -1 1 296.370 3.101 20 0 CGADMM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC001570464648 961966019 /nfs/dbraw/zinc/96/60/19/961966019.db2.gz KRNIOVZZBPRQBX-MWLCHTKSSA-N -1 1 299.317 3.204 20 0 CGADMM Cc1ccc([C@H](C)C(=O)Nc2cc(F)cc(F)c2[O-])o1 ZINC001570464549 961970707 /nfs/dbraw/zinc/97/07/07/961970707.db2.gz HCVKTSUYCIMHDH-QMMMGPOBSA-N -1 1 281.258 3.314 20 0 CGADMM C/C(=C/c1ccncc1)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001570465867 961974925 /nfs/dbraw/zinc/97/49/25/961974925.db2.gz SNYXOKYRQMBRDV-TWGQIWQCSA-N -1 1 290.269 3.107 20 0 CGADMM CCN(Cc1ccc(-c2nnn[n-]2)o1)c1cc(C)ccc1C ZINC001578174690 962578475 /nfs/dbraw/zinc/57/84/75/962578475.db2.gz OAVGDTIGTPSGCM-UHFFFAOYSA-N -1 1 297.362 3.103 20 0 CGADMM CCN(Cc1ccc(-c2nn[n-]n2)o1)c1cc(C)ccc1C ZINC001578174690 962578488 /nfs/dbraw/zinc/57/84/88/962578488.db2.gz OAVGDTIGTPSGCM-UHFFFAOYSA-N -1 1 297.362 3.103 20 0 CGADMM CC(=O)c1cc(C(=O)Nc2cccc(F)c2[O-])ccc1C ZINC001587389762 962754228 /nfs/dbraw/zinc/75/42/28/962754228.db2.gz RQCMDFPOLXTTBC-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM Nc1c(F)c(Cl)ccc1C(=O)Nc1c([O-])cccc1F ZINC001583972182 962875061 /nfs/dbraw/zinc/87/50/61/962875061.db2.gz SNTWMWGZEVTMAN-UHFFFAOYSA-N -1 1 298.676 3.158 20 0 CGADMM CC1(C)CC[C@@H](C(=O)[N-]Oc2ccc(F)cc2)C1 ZINC001584007689 962881588 /nfs/dbraw/zinc/88/15/88/962881588.db2.gz BNNNGFJLCUZAGY-SNVBAGLBSA-N -1 1 251.301 3.062 20 0 CGADMM C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001585336622 963002580 /nfs/dbraw/zinc/00/25/80/963002580.db2.gz LILVACQJGYEREA-LLVKDONJSA-N -1 1 285.318 3.370 20 0 CGADMM Cc1ccc(NC(=O)c2ccc(F)c([O-])c2)c(C)c1 ZINC001587124110 963171001 /nfs/dbraw/zinc/17/10/01/963171001.db2.gz NZSNCTGJQWANFQ-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cnc2ccccc2c1 ZINC001587389560 963190048 /nfs/dbraw/zinc/19/00/48/963190048.db2.gz NKQVNGLEGIVDCN-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001587389281 963191273 /nfs/dbraw/zinc/19/12/73/963191273.db2.gz DWBNFZSPEPCLBV-VXGBXAGGSA-N -1 1 289.281 3.413 20 0 CGADMM CC(C)C1CCC(NC(=O)c2cccc([O-])c2F)CC1 ZINC001588129438 963251020 /nfs/dbraw/zinc/25/10/20/963251020.db2.gz GHNBSKLRXYMOFH-UHFFFAOYSA-N -1 1 279.355 3.476 20 0 CGADMM CCC[C@H](C)CCNC(=O)c1c([O-])cccc1F ZINC001589661675 964010125 /nfs/dbraw/zinc/01/01/25/964010125.db2.gz HCTBHGXGOHRWSR-JTQLQIEISA-N -1 1 253.317 3.087 20 0 CGADMM O=C([O-])[C@H]1CC12CCN(Cc1ccsc1Cl)CC2 ZINC000405452903 973882865 /nfs/dbraw/zinc/88/28/65/973882865.db2.gz QJQYLFCPTXQXCR-SNVBAGLBSA-N -1 1 285.796 3.088 20 0 CGADMM O=C([O-])c1cncc(CN(Cc2cccs2)C2CC2)c1 ZINC000721517161 978115344 /nfs/dbraw/zinc/11/53/44/978115344.db2.gz IHNSJLBWHFELIS-UHFFFAOYSA-N -1 1 288.372 3.006 20 0 CGADMM CC[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1ccncc1 ZINC001595299663 980429437 /nfs/dbraw/zinc/42/94/37/980429437.db2.gz BFGWOBJMXNMVCX-NFAHFFEMSA-N -1 1 286.331 3.013 20 0 CGADMM CCN(CC(=O)[O-])[C@H]1C[C@H](C)Sc2sccc21 ZINC001596222039 983613030 /nfs/dbraw/zinc/61/30/30/983613030.db2.gz AOXNZNFMYJDHDC-WPRPVWTQSA-N -1 1 271.407 3.080 20 0 CGADMM Cc1[nH]c(CN2CC([C@@H]3CCC[C@H](C)C3)C2)cc1C(=O)[O-] ZINC001599963159 985834442 /nfs/dbraw/zinc/83/44/42/985834442.db2.gz YGEOJGIBZDPDEW-WCQYABFASA-N -1 1 290.407 3.279 20 0 CGADMM Cc1[nH]c(CN[C@H](c2ccccn2)C2CCC2)cc1C(=O)[O-] ZINC001599964731 985879083 /nfs/dbraw/zinc/87/90/83/985879083.db2.gz TVFXCECRTVPSLZ-INIZCTEOSA-N -1 1 299.374 3.047 20 0 CGADMM C[C@@H]1CN(CCC(C)(C)C(=O)[O-])C[C@@H](c2ccsc2)O1 ZINC001594529033 986107252 /nfs/dbraw/zinc/10/72/52/986107252.db2.gz UAFVCTMRPWQGPB-YPMHNXCESA-N -1 1 297.420 3.011 20 0 CGADMM CCc1nnc(SCc2c(Cl)cccc2C(=O)[O-])[nH]1 ZINC001597736448 989088400 /nfs/dbraw/zinc/08/84/00/989088400.db2.gz XOOWTBAJIGABMD-UHFFFAOYSA-N -1 1 297.767 3.011 20 0 CGADMM CCc1n[nH]c(SCc2c(Cl)cccc2C(=O)[O-])n1 ZINC001597736448 989088410 /nfs/dbraw/zinc/08/84/10/989088410.db2.gz XOOWTBAJIGABMD-UHFFFAOYSA-N -1 1 297.767 3.011 20 0 CGADMM CN(Cc1csc(C2CCCC2)n1)C(C)(C)CC(=O)[O-] ZINC001598536040 992840694 /nfs/dbraw/zinc/84/06/94/992840694.db2.gz HOSDCBMMCIRWEB-UHFFFAOYSA-N -1 1 296.436 3.486 20 0 CGADMM C[C@@H](N[C@@H](C)c1ccns1)c1cc(C(=O)[O-])cs1 ZINC001593204208 994197632 /nfs/dbraw/zinc/19/76/32/994197632.db2.gz ODBIMLBHDAQXIL-JGVFFNPUSA-N -1 1 282.390 3.315 20 0 CGADMM C[C@H](N[C@@H]1C=CCCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593210617 994250806 /nfs/dbraw/zinc/25/08/06/994250806.db2.gz QMOABVNEMMJFJF-WDEREUQCSA-N -1 1 280.393 3.381 20 0 CGADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCC[C@@H](C(C)(C)C)C1 ZINC001593724331 996265040 /nfs/dbraw/zinc/26/50/40/996265040.db2.gz FIBLGGVVUZGILQ-GHMZBOCLSA-N -1 1 280.368 3.192 20 0 CGADMM CC1(C)Nc2ccccc2[C@@H]1NCc1cc(C(=O)[O-])co1 ZINC001593974694 997157157 /nfs/dbraw/zinc/15/71/57/997157157.db2.gz WZMMTJAWGFMLAU-AWEZNQCLSA-N -1 1 286.331 3.013 20 0 CGADMM CO[C@@H](C)c1nc(=N[C@@H](CC(F)(F)F)C(C)C)s[n-]1 ZINC000337943598 214323931 /nfs/dbraw/zinc/32/39/31/214323931.db2.gz MRICXSAVHMFFKK-YUMQZZPRSA-N -1 1 297.346 3.056 20 0 CGADMM O=C(NCC[C@@H]1CC1(F)F)c1cc2ccccc2cc1[O-] ZINC000622205392 349650063 /nfs/dbraw/zinc/65/00/63/349650063.db2.gz LANUXVULIBXGKQ-GFCCVEGCSA-N -1 1 291.297 3.321 20 0 CGADMM CCc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1F ZINC000436521629 529687035 /nfs/dbraw/zinc/68/70/35/529687035.db2.gz NRMJMUISCMPCJI-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM CC(C)(C)OCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000127004732 187275616 /nfs/dbraw/zinc/27/56/16/187275616.db2.gz KUFZQSMATJBNFK-UHFFFAOYSA-N -1 1 296.314 3.108 20 0 CGADMM CN(Cc1c(F)cccc1F)C(=O)c1cc(F)ccc1[O-] ZINC000436661729 529974462 /nfs/dbraw/zinc/97/44/62/529974462.db2.gz DYSKKSPOEFHRKP-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM CC(C)(C)c1nsc([N-]C(=O)c2c(F)cccc2F)n1 ZINC000068073132 345342719 /nfs/dbraw/zinc/34/27/19/345342719.db2.gz DYTAHIJEMUFLMN-UHFFFAOYSA-N -1 1 297.330 3.366 20 0 CGADMM CCCC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068446579 345353317 /nfs/dbraw/zinc/35/33/17/345353317.db2.gz AMQWWNIKJXFCRR-UHFFFAOYSA-N -1 1 296.440 3.028 20 0 CGADMM Cc1nc(-c2ccc(NCCCC3CC3)nc2)[n-]c(=O)c1C ZINC000078293014 345599096 /nfs/dbraw/zinc/59/90/96/345599096.db2.gz XDRMDXWNMOLREC-UHFFFAOYSA-N -1 1 298.390 3.051 20 0 CGADMM O=C([O-])C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000086790825 345751359 /nfs/dbraw/zinc/75/13/59/345751359.db2.gz JTCKONKNFYHFQO-LBPRGKRZSA-N -1 1 288.174 3.433 20 0 CGADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000162940223 232255316 /nfs/dbraw/zinc/25/53/16/232255316.db2.gz JIRFCQCEGCEXFQ-NEPJUHHUSA-N -1 1 269.344 3.416 20 0 CGADMM Cc1ccc(-c2csc(CN(C)CCC(=O)[O-])n2)cc1 ZINC000107854488 345935876 /nfs/dbraw/zinc/93/58/76/345935876.db2.gz GIOZKGRKDZFBFU-UHFFFAOYSA-N -1 1 290.388 3.025 20 0 CGADMM O=C([O-])c1sccc1CN1CCc2sccc2C1 ZINC000110955068 345946978 /nfs/dbraw/zinc/94/69/78/345946978.db2.gz ZOXNGPXQWKSDSP-UHFFFAOYSA-N -1 1 279.386 3.066 20 0 CGADMM CCO[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000126933370 346028526 /nfs/dbraw/zinc/02/85/26/346028526.db2.gz FSDQNTPPIQCTAG-CQSZACIVSA-N -1 1 299.370 3.187 20 0 CGADMM O=C(NCc1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000169261614 346192459 /nfs/dbraw/zinc/19/24/59/346192459.db2.gz OYUCNWQMZQRTSZ-UHFFFAOYSA-N -1 1 276.723 3.367 20 0 CGADMM CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000232783376 346327944 /nfs/dbraw/zinc/32/79/44/346327944.db2.gz ZTAOAZLIUGMEKF-OAHLLOKOSA-N -1 1 299.773 3.412 20 0 CGADMM CCC1(CNC(=O)c2cc(F)ccc2[O-])CCCC1 ZINC000232934610 346329153 /nfs/dbraw/zinc/32/91/53/346329153.db2.gz WUHBRJLQPWERPJ-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229307257 346317125 /nfs/dbraw/zinc/31/71/25/346317125.db2.gz YRPMPVOKKVAZCC-NOZJJQNGSA-N -1 1 285.746 3.164 20 0 CGADMM CO[C@@H]([C@@H](C)NC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000388324233 346570278 /nfs/dbraw/zinc/57/02/78/346570278.db2.gz YRDVYBYVTUHXRQ-DIFFPNOSSA-N -1 1 299.370 3.089 20 0 CGADMM CCc1nc(S[C@@H]2C=CCCC2)[n-]c(=O)c1C ZINC000584792185 346715191 /nfs/dbraw/zinc/71/51/91/346715191.db2.gz LVLRYNNXTRUROJ-SNVBAGLBSA-N -1 1 250.367 3.254 20 0 CGADMM CCOc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000339256656 215044354 /nfs/dbraw/zinc/04/43/54/215044354.db2.gz KHHOZFZNOAIXGD-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cc(F)ccc2[O-])C1 ZINC000128623551 187380369 /nfs/dbraw/zinc/38/03/69/187380369.db2.gz QGGNUYOKQFPJRI-ZYHUDNBSSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)c(C)n1 ZINC000351873787 219233514 /nfs/dbraw/zinc/23/35/14/219233514.db2.gz CPRFYXHUOIWVGZ-UHFFFAOYSA-N -1 1 297.330 3.424 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc(-c2ccccc2)[nH]n1 ZINC000605435721 348155178 /nfs/dbraw/zinc/15/51/78/348155178.db2.gz IEWXHAFLXDGPML-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C(CCc1ccccc1F)Nc1c([O-])cccc1F ZINC000605439943 348155625 /nfs/dbraw/zinc/15/56/25/348155625.db2.gz YSTHXUHWGLYWCY-UHFFFAOYSA-N -1 1 277.270 3.242 20 0 CGADMM COc1cccc([C@@H](C)C(=O)Nc2c([O-])cccc2F)c1 ZINC000608366085 348301618 /nfs/dbraw/zinc/30/16/18/348301618.db2.gz NBSIMOSLRLZIGP-SNVBAGLBSA-N -1 1 289.306 3.282 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000608367543 348302222 /nfs/dbraw/zinc/30/22/22/348302222.db2.gz VOYUSTRFLIWQFM-SCLBCKFNSA-N -1 1 297.329 3.374 20 0 CGADMM CCCc1c(C)[n-]n(Cc2cccc3cccnc32)c1=O ZINC000614189056 348657506 /nfs/dbraw/zinc/65/75/06/348657506.db2.gz KJLPCIRMBDXITP-HNNXBMFYSA-N -1 1 281.359 3.369 20 0 CGADMM CCSCC[C@H](C)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000613511403 348614069 /nfs/dbraw/zinc/61/40/69/348614069.db2.gz RIRFEUMHWHJWRO-JTQLQIEISA-N -1 1 285.384 3.135 20 0 CGADMM CC[C@@](C)(NC(=O)c1cc(Cl)c([O-])c(OC)c1)C1CC1 ZINC000618956384 349183526 /nfs/dbraw/zinc/18/35/26/349183526.db2.gz ZPMTVQQJLLGHPC-OAHLLOKOSA-N -1 1 297.782 3.363 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)C1CCC(F)CC1 ZINC000619956782 349296599 /nfs/dbraw/zinc/29/65/99/349296599.db2.gz FCNFYRUHUIWZFW-WHXUTIOJSA-N -1 1 283.318 3.178 20 0 CGADMM CCOc1cc(C(=O)NC2CC(C)(C)C2)cc(Cl)c1[O-] ZINC000620745120 349419896 /nfs/dbraw/zinc/41/98/96/349419896.db2.gz NICGECZLBFNFQG-UHFFFAOYSA-N -1 1 297.782 3.363 20 0 CGADMM C[C@H](CC(F)(F)F)C(=O)Nc1cccc(F)c1[O-] ZINC000628959846 350625718 /nfs/dbraw/zinc/62/57/18/350625718.db2.gz DAJZODMLHXPXNQ-ZCFIWIBFSA-N -1 1 265.206 3.058 20 0 CGADMM C[C@@H](C(=O)Nc1cccc(F)c1[O-])C1CCCC1 ZINC000628960695 350626347 /nfs/dbraw/zinc/62/63/47/350626347.db2.gz RDXQDOOOUFEEJZ-SECBINFHSA-N -1 1 251.301 3.296 20 0 CGADMM CC1(C)C[C@H](C(=O)Nc2cccc(F)c2[O-])C(C)(C)O1 ZINC000628960360 350626494 /nfs/dbraw/zinc/62/64/94/350626494.db2.gz OJYLULJDKPHUTH-SECBINFHSA-N -1 1 281.327 3.064 20 0 CGADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C1CCOCC1 ZINC000629184139 350665266 /nfs/dbraw/zinc/66/52/66/350665266.db2.gz YGMJAHJPHFEPCO-ZETCQYMHSA-N -1 1 290.335 3.027 20 0 CGADMM C/C=C\C[C@H]1CCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000629375537 350683649 /nfs/dbraw/zinc/68/36/49/350683649.db2.gz HYSOINAYBDIGOM-QUCGXOGASA-N -1 1 280.393 3.020 20 0 CGADMM C[C@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C(C)(C)C ZINC000629379277 350684887 /nfs/dbraw/zinc/68/48/87/350684887.db2.gz ZEDDZMUINCOCSP-LLVKDONJSA-N -1 1 287.363 3.199 20 0 CGADMM C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380099 350685813 /nfs/dbraw/zinc/68/58/13/350685813.db2.gz KEWOKOXNEVGTDE-WFASDCNBSA-N -1 1 299.374 3.343 20 0 CGADMM Cc1ccsc1CN[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000630463576 350843796 /nfs/dbraw/zinc/84/37/96/350843796.db2.gz NTKVARGJNXVRKC-QMMMGPOBSA-N -1 1 282.390 3.062 20 0 CGADMM C[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@H]1C ZINC000631470595 351046116 /nfs/dbraw/zinc/04/61/16/351046116.db2.gz QZMQFSIDMUDJJU-MNOVXSKESA-N -1 1 281.783 3.235 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1CC12CCCCC2 ZINC000632271313 351188812 /nfs/dbraw/zinc/18/88/12/351188812.db2.gz PHTOTDRYNBDSGM-CQSZACIVSA-N -1 1 293.794 3.427 20 0 CGADMM C[C@H]1CCC(C)(C)N1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633371384 351288106 /nfs/dbraw/zinc/28/81/06/351288106.db2.gz XNCHCRCYDYTNGA-JTQLQIEISA-N -1 1 281.783 3.378 20 0 CGADMM CCc1[n-]n(-c2nc3ccccc3o2)c(=O)c1C(C)C ZINC000634586424 351525637 /nfs/dbraw/zinc/52/56/37/351525637.db2.gz KWMHJGJLLLXQSJ-ZDUSSCGKSA-N -1 1 271.320 3.213 20 0 CGADMM O=c1c2c([n-]n1Cc1ccc(Cl)cc1Cl)CCC2 ZINC000634591694 351529069 /nfs/dbraw/zinc/52/90/69/351529069.db2.gz KTYKLBKMQNGQJW-SNVBAGLBSA-N -1 1 283.158 3.492 20 0 CGADMM CSc1ccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)cc1 ZINC000634594154 351529702 /nfs/dbraw/zinc/52/97/02/351529702.db2.gz MNIGKKSITIGJGM-RNCFNFMXSA-N -1 1 260.362 3.157 20 0 CGADMM CCc1c(C)[n-]n(-c2nccc3sccc32)c1=O ZINC000634596377 351531959 /nfs/dbraw/zinc/53/19/59/351531959.db2.gz FGIHVEKCPTZIMJ-VIFPVBQESA-N -1 1 259.334 3.045 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(OC(F)F)cc3)c(=O)c21 ZINC000634602646 351537615 /nfs/dbraw/zinc/53/76/15/351537615.db2.gz XWEXMEZLTQXIFT-QPUJVOFHSA-N -1 1 280.274 3.037 20 0 CGADMM CCCc1c(C)[n-]n(CCCc2ccccc2)c1=O ZINC000634603230 351537788 /nfs/dbraw/zinc/53/77/88/351537788.db2.gz SSWGSMLYJDLLIP-HNNXBMFYSA-N -1 1 258.365 3.254 20 0 CGADMM CCc1c(=O)n(Cc2ccccc2F)[n-]c1C(C)C ZINC000634608364 351539781 /nfs/dbraw/zinc/53/97/81/351539781.db2.gz ZXJLUTWEAHGAMN-GFCCVEGCSA-N -1 1 262.328 3.206 20 0 CGADMM Cc1[n-]n(-c2c(C)cccc2Cl)c(=O)c1C1CC1 ZINC000634608490 351541404 /nfs/dbraw/zinc/54/14/04/351541404.db2.gz DZPIVOAJNZAFKK-GFCCVEGCSA-N -1 1 262.740 3.397 20 0 CGADMM C[C@@H]1CCc2[n-]n(CCc3ccccc3F)c(=O)c2C1 ZINC000634612207 351542136 /nfs/dbraw/zinc/54/21/36/351542136.db2.gz ROECPSYWOPYEPH-YPMHNXCESA-N -1 1 274.339 3.003 20 0 CGADMM CCc1c(-c2ccccc2)[n-]n([C@@H](C)C(F)(F)F)c1=O ZINC000634630652 351552670 /nfs/dbraw/zinc/55/26/70/351552670.db2.gz BHAXLUKKPICEPH-ONGXEEELSA-N -1 1 284.281 3.210 20 0 CGADMM C[C@@H](c1ccncc1)n1[n-]c2c(c1=O)CCCCCC2 ZINC000634626782 351550279 /nfs/dbraw/zinc/55/02/79/351550279.db2.gz LZMBZSQXSLFHPX-GXTWGEPZSA-N -1 1 271.364 3.311 20 0 CGADMM C[C@@H]1CCc2[n-]n([C@H]3CCc4c3cccc4F)c(=O)c2C1 ZINC000634632560 351554169 /nfs/dbraw/zinc/55/41/69/351554169.db2.gz UVCBMNCTDNBUCF-HICWGWBUSA-N -1 1 286.350 3.447 20 0 CGADMM C[C@H](C(=O)[N-]OC1CCCC1)c1cccc(Cl)c1 ZINC000271759706 191310314 /nfs/dbraw/zinc/31/03/14/191310314.db2.gz MCJMRRTZHSLNPQ-JTQLQIEISA-N -1 1 267.756 3.434 20 0 CGADMM CCc1nc(C)c(NC(=O)c2ccc([O-])cc2F)s1 ZINC000336353610 213203630 /nfs/dbraw/zinc/20/36/30/213203630.db2.gz MJAMHZSQLFZGCQ-UHFFFAOYSA-N -1 1 280.324 3.111 20 0 CGADMM CN(C[C@H]1CCCOC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000107065935 138356770 /nfs/dbraw/zinc/35/67/70/138356770.db2.gz JJPYJFCOWSWDDP-CYBMUJFWSA-N -1 1 299.370 3.044 20 0 CGADMM Cc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000426773954 236312979 /nfs/dbraw/zinc/31/29/79/236312979.db2.gz MBNHCQCAAMPMBW-OAHLLOKOSA-N -1 1 273.307 3.050 20 0 CGADMM Cc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426801859 236315580 /nfs/dbraw/zinc/31/55/80/236315580.db2.gz SVIWJXVFXKOLSG-HNNXBMFYSA-N -1 1 273.307 3.050 20 0 CGADMM O=C(Nc1ccc(F)c(Cl)c1)C(=O)c1ccc([O-])cc1 ZINC000436524526 237118511 /nfs/dbraw/zinc/11/85/11/237118511.db2.gz IZMAIGUGURWJRR-UHFFFAOYSA-N -1 1 293.681 3.006 20 0 CGADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1cc(F)ccc1[O-] ZINC000436541030 237125976 /nfs/dbraw/zinc/12/59/76/237125976.db2.gz VMDKXFOBLCXPQZ-CQSZACIVSA-N -1 1 289.281 3.088 20 0 CGADMM O=C(NC1(Cc2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000436953234 237220770 /nfs/dbraw/zinc/22/07/70/237220770.db2.gz NIJIQIFNMGHCOL-UHFFFAOYSA-N -1 1 285.318 3.036 20 0 CGADMM C[C@@]1(CNC(=O)c2c([O-])cccc2F)C[C@H]1c1ccccc1 ZINC000436959374 237221301 /nfs/dbraw/zinc/22/13/01/237221301.db2.gz GONJNLKLWDLEKQ-UGSOOPFHSA-N -1 1 299.345 3.455 20 0 CGADMM Cc1cccc2c1CN(C(=O)c1cc(F)ccc1[O-])CC2 ZINC000436878391 237202037 /nfs/dbraw/zinc/20/20/37/237202037.db2.gz CGGOVTGADPQSPX-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM O=C(NCC(F)(F)c1ccccc1)c1cc(F)ccc1[O-] ZINC000436931926 237213870 /nfs/dbraw/zinc/21/38/70/237213870.db2.gz NEMQZJJCOIKAGJ-UHFFFAOYSA-N -1 1 295.260 3.053 20 0 CGADMM Cc1ccc([C@@H](C)CNC(=O)c2c([O-])cccc2F)cc1 ZINC000436944660 237217364 /nfs/dbraw/zinc/21/73/64/237217364.db2.gz BZTXFKIQOZVUDB-LBPRGKRZSA-N -1 1 287.334 3.373 20 0 CGADMM CN(C(=O)c1cncc([O-])c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297433723 200188422 /nfs/dbraw/zinc/18/84/22/200188422.db2.gz ZVHVKWJUJPQZPC-SJORKVTESA-N -1 1 296.370 3.196 20 0 CGADMM CC1=C(C(=O)Nc2ccc([O-])c(Cl)c2)CCCO1 ZINC000182872985 189338100 /nfs/dbraw/zinc/33/81/00/189338100.db2.gz CVPRHMXJQLMWNX-UHFFFAOYSA-N -1 1 267.712 3.069 20 0 CGADMM O=S(=O)([N-]C1CCCCC1)c1cc2cc(F)ccc2o1 ZINC000450956692 240170422 /nfs/dbraw/zinc/17/04/22/240170422.db2.gz INESYABGBXQNRB-UHFFFAOYSA-N -1 1 297.351 3.183 20 0 CGADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1 ZINC000476427561 243014023 /nfs/dbraw/zinc/01/40/23/243014023.db2.gz ZPZKFAMJIPUDJF-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=S(=O)([N-]c1cccc2ccc(O)cc21)c1ccccc1 ZINC000003191760 368496589 /nfs/dbraw/zinc/49/65/89/368496589.db2.gz ZZZOMUVRQPTHJY-UHFFFAOYSA-N -1 1 299.351 3.346 20 0 CGADMM CC(=O)c1ccc(NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000019807244 368769085 /nfs/dbraw/zinc/76/90/85/368769085.db2.gz WNUQYISIBYPDMM-UHFFFAOYSA-N -1 1 269.300 3.156 20 0 CGADMM COc1ccc(Cl)cc1NC(=O)c1ccccc1[O-] ZINC000019838644 368770624 /nfs/dbraw/zinc/77/06/24/368770624.db2.gz NPRSPCCLGVQHQP-UHFFFAOYSA-N -1 1 277.707 3.307 20 0 CGADMM O=C(Nc1cnc2ccccc2c1)c1ccccc1[O-] ZINC000033901356 368969806 /nfs/dbraw/zinc/96/98/06/368969806.db2.gz IYHTXROWHYOHGM-UHFFFAOYSA-N -1 1 264.284 3.193 20 0 CGADMM Cc1cc(CN(C)Cc2ccc(C)cc2)oc1C(=O)[O-] ZINC000036812805 369030511 /nfs/dbraw/zinc/03/05/11/369030511.db2.gz CJDFDMGWMNYHNT-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1cc2ccccc2o1 ZINC000109042744 370359479 /nfs/dbraw/zinc/35/94/79/370359479.db2.gz YPJSPQWEHHXKKB-SNVBAGLBSA-N -1 1 282.299 3.024 20 0 CGADMM CCc1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000111667194 370404534 /nfs/dbraw/zinc/40/45/34/370404534.db2.gz ULOWJFSLTJJYSG-UHFFFAOYSA-N -1 1 282.752 3.317 20 0 CGADMM CCN(C(=O)c1cncc([O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000111775730 370406239 /nfs/dbraw/zinc/40/62/39/370406239.db2.gz ZSHMVHVJIFGOHK-NSHDSACASA-N -1 1 288.322 3.150 20 0 CGADMM CCOC(=O)[C@@H](NCc1cccc([O-])c1Cl)[C@H](C)CC ZINC000513137753 245065619 /nfs/dbraw/zinc/06/56/19/245065619.db2.gz AOAXQHKWOGSHGK-YGRLFVJLSA-N -1 1 299.798 3.113 20 0 CGADMM O=C(Nc1ccccc1OCC1CC1)c1ccccc1[O-] ZINC000133694313 371272985 /nfs/dbraw/zinc/27/29/85/371272985.db2.gz QWIBJNCSENSYJJ-UHFFFAOYSA-N -1 1 283.327 3.433 20 0 CGADMM CC[C@H](C)[C@H](C)N(C(=O)c1ncc(C)cc1[O-])C1CC1 ZINC000331931281 204307819 /nfs/dbraw/zinc/30/78/19/204307819.db2.gz GUUHNNVQADKKMD-RYUDHWBXSA-N -1 1 276.380 3.135 20 0 CGADMM Cc1c(NC(=O)c2cncc([O-])c2)cccc1C(F)(F)F ZINC000134300358 371321029 /nfs/dbraw/zinc/32/10/29/371321029.db2.gz OHAQFGMTWVTYDD-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cncc([O-])c1 ZINC000288544161 371738991 /nfs/dbraw/zinc/73/89/91/371738991.db2.gz HSQVJRSEFFUDJB-YPMHNXCESA-N -1 1 276.380 3.074 20 0 CGADMM Cn1ccnc1-c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000154136343 371821197 /nfs/dbraw/zinc/82/11/97/371821197.db2.gz HJEYBSMQHIYKPQ-UHFFFAOYSA-N -1 1 293.326 3.045 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](c2ccccc2)C1 ZINC000154837685 371882884 /nfs/dbraw/zinc/88/28/84/371882884.db2.gz WODFZRZRVBBJIM-CYBMUJFWSA-N -1 1 285.318 3.161 20 0 CGADMM CCN(CC(C)(C)C)C(=O)c1ccc([O-])cc1F ZINC000291106635 372117290 /nfs/dbraw/zinc/11/72/90/372117290.db2.gz BNHLHGDSENBFBE-UHFFFAOYSA-N -1 1 253.317 3.040 20 0 CGADMM [O-]c1cccc(CN[C@H](C2CC2)C(F)(F)F)c1Cl ZINC000293115423 372303109 /nfs/dbraw/zinc/30/31/09/372303109.db2.gz YVAGBJIILJFNEX-LLVKDONJSA-N -1 1 279.689 3.476 20 0 CGADMM COCC(C)(C)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000294112067 372584610 /nfs/dbraw/zinc/58/46/10/372584610.db2.gz NFZWQVCBURHOHA-UHFFFAOYSA-N -1 1 287.359 3.042 20 0 CGADMM Cc1ccc([C@H]([N-]C(=O)C(F)(F)F)C2CC2)cc1 ZINC000299597994 373578990 /nfs/dbraw/zinc/57/89/90/373578990.db2.gz FTVXDSGQUCKRPB-NSHDSACASA-N -1 1 257.255 3.125 20 0 CGADMM Cc1nc(-c2ccc(NCCC(C)C)nc2)[n-]c(=O)c1C ZINC000301181570 373684899 /nfs/dbraw/zinc/68/48/99/373684899.db2.gz PECBDYYQRAHUAR-UHFFFAOYSA-N -1 1 286.379 3.319 20 0 CGADMM C[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)CC12CCC2 ZINC000289492675 197373514 /nfs/dbraw/zinc/37/35/14/197373514.db2.gz RUQNZCOMLVPVOW-SNVBAGLBSA-N -1 1 295.329 3.323 20 0 CGADMM O=C(Nc1ccc(-c2cnco2)cc1)c1ccc([O-])cc1F ZINC000181894006 374188535 /nfs/dbraw/zinc/18/85/35/374188535.db2.gz GCJSNCBTECQYSU-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM O=C(NCC[C@@H]1CCc2ccccc21)c1ccc([O-])cc1F ZINC000452319677 374333550 /nfs/dbraw/zinc/33/35/50/374333550.db2.gz URRRAJUHSDMQIB-ZDUSSCGKSA-N -1 1 299.345 3.381 20 0 CGADMM Cc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1F ZINC000316588739 374334866 /nfs/dbraw/zinc/33/48/66/374334866.db2.gz SXQXIMJQTNKBBO-MRXNPFEDSA-N -1 1 299.345 3.318 20 0 CGADMM COC(=O)c1coc(C(=O)[N-]c2ccccc2SC)c1 ZINC000183684121 374443004 /nfs/dbraw/zinc/44/30/04/374443004.db2.gz QWFSHPYXFPPYBW-UHFFFAOYSA-N -1 1 291.328 3.040 20 0 CGADMM Cc1cc(CN2CCC(C(F)(F)F)CC2)oc1C(=O)[O-] ZINC000088422875 541947290 /nfs/dbraw/zinc/94/72/90/541947290.db2.gz RNIXIZNGENSYMG-UHFFFAOYSA-N -1 1 291.269 3.061 20 0 CGADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H]1CCCOC1 ZINC000332499522 374579037 /nfs/dbraw/zinc/57/90/37/374579037.db2.gz QUHMBVSYFBQBNH-JSGCOSHPSA-N -1 1 299.370 3.090 20 0 CGADMM CC(C)CCc1ccc(NC(=O)c2cncc([O-])c2)nc1 ZINC000456774924 374618633 /nfs/dbraw/zinc/61/86/33/374618633.db2.gz CDCBVQXMJDYGQT-UHFFFAOYSA-N -1 1 285.347 3.023 20 0 CGADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000334494438 374792421 /nfs/dbraw/zinc/79/24/21/374792421.db2.gz LOBNUIUMVHJGPP-SECBINFHSA-N -1 1 277.270 3.161 20 0 CGADMM O=C([N-][C@@H]1CCCc2sccc21)C(F)(F)C(F)F ZINC000186406020 374846405 /nfs/dbraw/zinc/84/64/05/374846405.db2.gz DNEFROCVQJJIAV-SSDOTTSWSA-N -1 1 281.274 3.142 20 0 CGADMM C[C@@H]1CC(C)(C)CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000335196757 375219302 /nfs/dbraw/zinc/21/93/02/375219302.db2.gz NAPNDZKUFBYHKX-SECBINFHSA-N -1 1 277.393 3.017 20 0 CGADMM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(C)o2)c(F)c1F ZINC000335721728 375375386 /nfs/dbraw/zinc/37/53/86/375375386.db2.gz JISMQSNMALFCJG-UHFFFAOYSA-N -1 1 297.232 3.460 20 0 CGADMM Cc1conc1[N-]C(=O)c1cc(-c2ccccc2F)on1 ZINC000123597861 542028694 /nfs/dbraw/zinc/02/86/94/542028694.db2.gz ZVFORLZJWJECIU-UHFFFAOYSA-N -1 1 287.250 3.029 20 0 CGADMM COC(=O)c1c[n-]c(S[C@H](C)CCc2ccccc2)n1 ZINC000193545334 375893048 /nfs/dbraw/zinc/89/30/48/375893048.db2.gz MFMUJCRHICYCIC-LLVKDONJSA-N -1 1 290.388 3.310 20 0 CGADMM CCCCN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338336070 376335981 /nfs/dbraw/zinc/33/59/81/376335981.db2.gz FQAFKSDEHIDDEQ-UHFFFAOYSA-N -1 1 292.766 3.466 20 0 CGADMM CCC(CC)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000541780658 376482770 /nfs/dbraw/zinc/48/27/70/376482770.db2.gz FAPWUMOCEAJTRE-UHFFFAOYSA-N -1 1 266.288 3.482 20 0 CGADMM Cc1ccc(F)c(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000235906922 376653261 /nfs/dbraw/zinc/65/32/61/376653261.db2.gz MCNCIRPUCWSYMX-HNNXBMFYSA-N -1 1 273.307 3.050 20 0 CGADMM O=C(N[C@H](CC1CCC1)c1ccccc1)c1cncc([O-])c1 ZINC000340005730 376891300 /nfs/dbraw/zinc/89/13/00/376891300.db2.gz OCVQEGFYFNINLP-QGZVFWFLSA-N -1 1 296.370 3.449 20 0 CGADMM CC(C)=CCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000560043042 377116038 /nfs/dbraw/zinc/11/60/38/377116038.db2.gz WMTRMSPTPYLUSB-UHFFFAOYSA-N -1 1 291.775 3.114 20 0 CGADMM O=C([O-])CNCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000340684938 377215683 /nfs/dbraw/zinc/21/56/83/377215683.db2.gz YVNZFJAAEKBWQO-UHFFFAOYSA-N -1 1 299.248 3.140 20 0 CGADMM COCC1(c2noc(-c3ccc([O-])cc3F)n2)CCCC1 ZINC000312977913 249083837 /nfs/dbraw/zinc/08/38/37/249083837.db2.gz JZMWIZABCBDZSQ-UHFFFAOYSA-N -1 1 292.310 3.040 20 0 CGADMM CC(C)c1noc([N-][C@@H](C)c2nc3ccccc3[nH]2)n1 ZINC000265491274 190185865 /nfs/dbraw/zinc/18/58/65/190185865.db2.gz CIBANRLWKZIEPX-VIFPVBQESA-N -1 1 271.324 3.242 20 0 CGADMM CCc1nc(SCc2cnccc2C)[n-]c(=O)c1C ZINC000518218220 249277585 /nfs/dbraw/zinc/27/75/85/249277585.db2.gz CNQSRTXFWLBKEJ-UHFFFAOYSA-N -1 1 275.377 3.049 20 0 CGADMM O=C([N-][C@@H]1CCC[C@@H]1Cc1ccccc1)C(F)(F)F ZINC000265678406 190199521 /nfs/dbraw/zinc/19/95/21/190199521.db2.gz IVMMCFOXRBHSNW-VXGBXAGGSA-N -1 1 271.282 3.076 20 0 CGADMM CC(C)CCc1nc(CN2CC[C@@](C)(C(=O)[O-])C2)cs1 ZINC000263074442 377918010 /nfs/dbraw/zinc/91/80/10/377918010.db2.gz GJCORZMWIMHAQO-OAHLLOKOSA-N -1 1 296.436 3.028 20 0 CGADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Cl)cc2F)C1 ZINC000263329020 377927838 /nfs/dbraw/zinc/92/78/38/377927838.db2.gz LDOATIFDWMFEOL-KOLCDFICSA-N -1 1 285.746 3.022 20 0 CGADMM CCCc1nc(CN2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)cs1 ZINC000578908585 378112535 /nfs/dbraw/zinc/11/25/35/378112535.db2.gz FNLYJUQYJWPMBF-DMDPSCGWSA-N -1 1 296.436 3.169 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2c(F)ccc([O-])c2F)[C@@H](C)C1 ZINC000578630155 378087164 /nfs/dbraw/zinc/08/71/64/378087164.db2.gz UAEWLPDVONBELY-YWVKMMECSA-N -1 1 283.318 3.225 20 0 CGADMM Cc1cc([C@@H](C)N2CCc3ccccc3C2)oc1C(=O)[O-] ZINC000578778220 378099002 /nfs/dbraw/zinc/09/90/02/378099002.db2.gz MLEWGOYYBLFUBN-GFCCVEGCSA-N -1 1 285.343 3.406 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CC[C@H]4C[C@H]4C3)n2)cc1F ZINC000579698083 378184497 /nfs/dbraw/zinc/18/44/97/378184497.db2.gz BXGDLOFNBZBBJC-GDPRMGEGSA-N -1 1 274.295 3.485 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2nc(C(C)(C)C)ns2)no1 ZINC000270738058 378395235 /nfs/dbraw/zinc/39/52/35/378395235.db2.gz PRCIZGKXBRZRCD-UHFFFAOYSA-N -1 1 294.380 3.199 20 0 CGADMM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2[O-])CCO1 ZINC000272636646 378681509 /nfs/dbraw/zinc/68/15/09/378681509.db2.gz CPIMPWUMEPHHLW-ZYHUDNBSSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000412764341 296283918 /nfs/dbraw/zinc/28/39/18/296283918.db2.gz LPZMOUAPKUKPBU-SECBINFHSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(Nc1nc(C2CCC2)cs1)c1ccc(O)cc1[O-] ZINC000277694295 379218218 /nfs/dbraw/zinc/21/82/18/379218218.db2.gz LYMGHPWDGCJZCN-UHFFFAOYSA-N -1 1 290.344 3.074 20 0 CGADMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1cccnc1 ZINC000350823289 379591553 /nfs/dbraw/zinc/59/15/53/379591553.db2.gz LHUNTOARRRTDFZ-SECBINFHSA-N -1 1 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288953619 /nfs/dbraw/zinc/95/36/19/288953619.db2.gz VHQBQLSTXRWHSK-UHFFFAOYSA-N -1 1 297.782 3.364 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)CCCc1ccccc1 ZINC000647816480 392808429 /nfs/dbraw/zinc/80/84/29/392808429.db2.gz KFCBXHIJCJTQPZ-NSHDSACASA-N -1 1 287.363 3.021 20 0 CGADMM CC1(C)CCCC[C@H]1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000194017678 392894670 /nfs/dbraw/zinc/89/46/70/392894670.db2.gz XMTOZGQRXQJYMG-JTQLQIEISA-N -1 1 288.351 3.220 20 0 CGADMM CC(C)(C)C1CCC(c2cc([N-]S(C)(=O)=O)n[nH]2)CC1 ZINC000548147018 393180168 /nfs/dbraw/zinc/18/01/68/393180168.db2.gz MWXSULZPBDUODM-UHFFFAOYSA-N -1 1 299.440 3.101 20 0 CGADMM CCc1nnsc1C(=O)[N-]c1ccc(F)cc1SC ZINC000648618496 393146245 /nfs/dbraw/zinc/14/62/45/393146245.db2.gz JPZAFEZJOOKLHZ-UHFFFAOYSA-N -1 1 297.380 3.214 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2ccc([O-])c(F)c2)CC12CCC2 ZINC000646547712 393298806 /nfs/dbraw/zinc/29/88/06/393298806.db2.gz MPZMKIRQAMAOFW-CQSZACIVSA-N -1 1 277.339 3.182 20 0 CGADMM 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COc1cccc(-c2noc(-c3ccc(OC)cc3[O-])n2)c1 ZINC000109037233 287127357 /nfs/dbraw/zinc/12/73/57/287127357.db2.gz CPUSMLLKTWDTEJ-UHFFFAOYSA-N -1 1 298.298 3.126 20 0 CGADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1c([O-])cccc1F ZINC000120681786 287185285 /nfs/dbraw/zinc/18/52/85/287185285.db2.gz OYHRCKOVYDNICI-ZDUSSCGKSA-N -1 1 289.281 3.088 20 0 CGADMM O=C(NCCCc1cccc(F)c1)c1c([O-])cccc1F ZINC000123896235 287226759 /nfs/dbraw/zinc/22/67/59/287226759.db2.gz ZPXQWRUHMCAQNY-UHFFFAOYSA-N -1 1 291.297 3.033 20 0 CGADMM CCCc1cc(=O)[n-]c(SC2CCCCC2)n1 ZINC000005883385 170149765 /nfs/dbraw/zinc/14/97/65/170149765.db2.gz LBCINIXVCSNVIR-UHFFFAOYSA-N -1 1 252.383 3.147 20 0 CGADMM COc1ccc(C(=O)Nc2cccc3ncccc32)c([O-])c1 ZINC000020260187 171116845 /nfs/dbraw/zinc/11/68/45/171116845.db2.gz DRMYIHBBINELMS-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM O=C(/C=C/c1ccc(O)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000127776489 287295951 /nfs/dbraw/zinc/29/59/51/287295951.db2.gz STNJGPYZTRXRNG-FPYGCLRLSA-N -1 1 289.718 3.403 20 0 CGADMM 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0 CGADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccc([O-])c(F)c2)o1 ZINC000681017761 543757827 /nfs/dbraw/zinc/75/78/27/543757827.db2.gz AWMUGOIHJJOCEN-BXKDBHETSA-N -1 1 289.306 3.178 20 0 CGADMM C[C@H]1CCC[C@H](CNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681021284 543758718 /nfs/dbraw/zinc/75/87/18/543758718.db2.gz SJKMOFKOXHLUBR-QWRGUYRKSA-N -1 1 265.328 3.087 20 0 CGADMM CCN(C(=O)c1ccc([O-])c(F)c1)c1ccccc1OC ZINC000681036453 543759665 /nfs/dbraw/zinc/75/96/65/543759665.db2.gz CARBGYLCWFUTEE-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM CC1CCC(C)(NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681037336 543759828 /nfs/dbraw/zinc/75/98/28/543759828.db2.gz BHNLLECTBLLHMJ-UHFFFAOYSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1ccccc1C1(CNC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681038469 543759868 /nfs/dbraw/zinc/75/98/68/543759868.db2.gz LTDNGWLCUMQEGV-UHFFFAOYSA-N -1 1 299.345 3.301 20 0 CGADMM CCOCc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681039887 543759942 /nfs/dbraw/zinc/75/99/42/543759942.db2.gz QURWTMYCTMEJDD-UHFFFAOYSA-N -1 1 289.306 3.320 20 0 CGADMM CC(C)(C)[C@@H](NC(=O)c1ccc([O-])c(F)c1)C(F)(F)F ZINC000681049698 543760109 /nfs/dbraw/zinc/76/01/09/543760109.db2.gz FKOKXRUHUWCVFB-LLVKDONJSA-N -1 1 293.260 3.238 20 0 CGADMM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681048488 543760291 /nfs/dbraw/zinc/76/02/91/543760291.db2.gz IFULUGLCDSVYCD-CQSZACIVSA-N -1 1 288.322 3.150 20 0 CGADMM O=C(NC1(c2cccc(F)c2)CC1)c1ccc([O-])c(F)c1 ZINC000681048513 543760905 /nfs/dbraw/zinc/76/09/05/543760905.db2.gz IYKQYWLXJKBNLU-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)[C@@H](C)c1ccccc1 ZINC000681053305 543761648 /nfs/dbraw/zinc/76/16/48/543761648.db2.gz UQJKXVJNMCIAJM-NEPJUHHUSA-N -1 1 287.334 3.453 20 0 CGADMM Cc1ccccc1C1=CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681067871 543762874 /nfs/dbraw/zinc/76/28/74/543762874.db2.gz LXQBYPGWVWZJST-UHFFFAOYSA-N -1 1 297.329 3.379 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C[C@@H]1C ZINC000681068509 543763437 /nfs/dbraw/zinc/76/34/37/543763437.db2.gz PRYLUWYKCLDDAM-JFGNBEQYSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000091669693 287383156 /nfs/dbraw/zinc/38/31/56/287383156.db2.gz VIZRVBIFOBVECN-GHMZBOCLSA-N -1 1 265.328 3.182 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc1F ZINC000683592993 543927738 /nfs/dbraw/zinc/92/77/38/543927738.db2.gz DYIVZRHPUGQISB-UHFFFAOYSA-N -1 1 298.273 3.183 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(Cl)cn1 ZINC000684319951 543979580 /nfs/dbraw/zinc/97/95/80/543979580.db2.gz IXUXXLGKBNIDKE-QMMMGPOBSA-N -1 1 294.713 3.071 20 0 CGADMM CC1CCC(C)(CNC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000684500299 544008498 /nfs/dbraw/zinc/00/84/98/544008498.db2.gz QQRVERTXIVROBD-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM CC(C)(NC(=O)c1ccc2ccccc2c1[O-])C(F)F ZINC000684339817 543982346 /nfs/dbraw/zinc/98/23/46/543982346.db2.gz GEITWGNLLRBWTI-UHFFFAOYSA-N -1 1 279.286 3.319 20 0 CGADMM CCCc1occc1C(=O)Nc1c([O-])cccc1F ZINC000684976705 544048451 /nfs/dbraw/zinc/04/84/51/544048451.db2.gz ALJJEFYFABQFOJ-UHFFFAOYSA-N -1 1 263.268 3.329 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cccnc2C)n1 ZINC000685564768 544083612 /nfs/dbraw/zinc/08/36/12/544083612.db2.gz JMRNBAJFJGCCIE-UHFFFAOYSA-N -1 1 275.377 3.130 20 0 CGADMM O=C(N[C@@H]1CCCc2sccc21)c1cc(F)ccc1[O-] ZINC000132890289 287412779 /nfs/dbraw/zinc/41/27/79/287412779.db2.gz QUFWTXSIASUJIX-GFCCVEGCSA-N -1 1 291.347 3.400 20 0 CGADMM CCCCc1nc(CN(CCC(=O)[O-])C(C)C)cs1 ZINC000652478597 418972896 /nfs/dbraw/zinc/97/28/96/418972896.db2.gz MFRKHRGZHVNDIA-UHFFFAOYSA-N -1 1 284.425 3.171 20 0 CGADMM C[C@H](c1ccco1)N(C)Cc1ccsc1C(=O)[O-] ZINC000652389399 418959252 /nfs/dbraw/zinc/95/92/52/418959252.db2.gz YQXFUHWLDJZMKQ-SECBINFHSA-N -1 1 265.334 3.232 20 0 CGADMM COc1cc(C(=O)NC2CC3(CCC3)C2)cc(Cl)c1[O-] ZINC000652973948 419008124 /nfs/dbraw/zinc/00/81/24/419008124.db2.gz JVGKWQKGSMTIJI-UHFFFAOYSA-N -1 1 295.766 3.117 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1C ZINC000180672543 287568062 /nfs/dbraw/zinc/56/80/62/287568062.db2.gz MNSJVHWJJDPIKF-BDAKNGLRSA-N -1 1 287.281 3.282 20 0 CGADMM Cc1nc(C)c(CNC(=O)c2cc3ccccc3cc2[O-])o1 ZINC000320745334 265026332 /nfs/dbraw/zinc/02/63/32/265026332.db2.gz UGCIIYFDZNXCBO-UHFFFAOYSA-N -1 1 296.326 3.080 20 0 CGADMM Cc1cnc(S[C@@H](C)C(=O)C2CCCCC2)[n-]c1=O ZINC000521462725 270101874 /nfs/dbraw/zinc/10/18/74/270101874.db2.gz NCOCMRIINLKLOL-JTQLQIEISA-N -1 1 280.393 3.121 20 0 CGADMM CCCCc1nnc([N-]C(=O)c2conc2C(C)C)s1 ZINC000528142627 270155714 /nfs/dbraw/zinc/15/57/14/270155714.db2.gz VQHOHNAYCVPECP-UHFFFAOYSA-N -1 1 294.380 3.244 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2c(n1)CCCC2 ZINC000532759407 270218916 /nfs/dbraw/zinc/21/89/16/270218916.db2.gz DIYZVYORHYZSHQ-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])cc2F)[C@H]1C ZINC000246095217 287692526 /nfs/dbraw/zinc/69/25/26/287692526.db2.gz KGAQDQZSNSZJIP-BFVZDQMLSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)[C@H]2CCCC[C@@H]12 ZINC000248385882 287761640 /nfs/dbraw/zinc/76/16/40/287761640.db2.gz KIUBFCZMSDCPMX-GMXABZIVSA-N -1 1 277.339 3.182 20 0 CGADMM CN(C(=O)c1ccc([O-])cc1F)[C@H]1CCc2ccccc21 ZINC000181098718 276737584 /nfs/dbraw/zinc/73/75/84/276737584.db2.gz WURHDCKVJLZIEV-INIZCTEOSA-N -1 1 285.318 3.291 20 0 CGADMM CO[C@@H]1CCCC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000293085272 277643086 /nfs/dbraw/zinc/64/30/86/277643086.db2.gz DLQHXPUHMAWAIO-GXFFZTMASA-N -1 1 292.310 3.254 20 0 CGADMM C[C@H](CNC(=O)c1cc(Cl)ccc1[O-])CC(F)(F)F ZINC000397044545 288020830 /nfs/dbraw/zinc/02/08/30/288020830.db2.gz NPDYWDFGRJOGEC-ZETCQYMHSA-N -1 1 295.688 3.364 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)CC(C)(C)C1 ZINC000436829706 288034175 /nfs/dbraw/zinc/03/41/75/288034175.db2.gz BMQURLJMKFZMGE-JTQLQIEISA-N -1 1 265.328 3.040 20 0 CGADMM Cc1nc2c(cccc2C(=O)Nc2ccc(F)cc2[O-])o1 ZINC000350704210 279112969 /nfs/dbraw/zinc/11/29/69/279112969.db2.gz WIETXQGXLKPSIQ-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM CC(C)(CC(F)F)C(=O)Nc1cccc(F)c1[O-] ZINC000530005775 288281645 /nfs/dbraw/zinc/28/16/45/288281645.db2.gz NXUCFVVPURYYJY-UHFFFAOYSA-N -1 1 261.243 3.151 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cc[nH]c1C1CCC1 ZINC000530006906 288282002 /nfs/dbraw/zinc/28/20/02/288282002.db2.gz XLVCVMBRYQANLX-UHFFFAOYSA-N -1 1 274.295 3.379 20 0 CGADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530007031 288282537 /nfs/dbraw/zinc/28/25/37/288282537.db2.gz YPTHAOCMADLDKH-ZJUUUORDSA-N -1 1 251.301 3.296 20 0 CGADMM CCCc1nc(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cs1 ZINC000530174751 288293430 /nfs/dbraw/zinc/29/34/30/288293430.db2.gz AKHZMDXUTGGMRD-GHMZBOCLSA-N -1 1 296.436 3.169 20 0 CGADMM O=C(C[C@@H]1C=CCCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000547665117 288970647 /nfs/dbraw/zinc/97/06/47/288970647.db2.gz QQQIDDGNASGYOQ-GFCCVEGCSA-N -1 1 297.358 3.467 20 0 CGADMM CCN(Cc1ccc(C)cc1)C(=O)c1ncc(C)cc1[O-] ZINC000547974693 288983679 /nfs/dbraw/zinc/98/36/79/288983679.db2.gz ZBGLQVLZSQUACN-UHFFFAOYSA-N -1 1 284.359 3.066 20 0 CGADMM C[C@H](N=c1ccc(N2CCCCC2)n[n-]1)c1ccccc1 ZINC000552219337 289172732 /nfs/dbraw/zinc/17/27/32/289172732.db2.gz OXFXWPHFLYYENT-AWEZNQCLSA-N -1 1 282.391 3.062 20 0 CGADMM O=C([O-])C[C@@H](NCc1cccc(F)c1F)c1ccsc1 ZINC000555615313 289352712 /nfs/dbraw/zinc/35/27/12/289352712.db2.gz ODWSXNQRRLHGPL-GFCCVEGCSA-N -1 1 297.326 3.332 20 0 CGADMM Cc1ccc([C@H](NCc2cccc(F)c2F)C(=O)[O-])cc1 ZINC000555614829 289352794 /nfs/dbraw/zinc/35/27/94/289352794.db2.gz WKIQPZBFSIAXFY-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)s[n-]1 ZINC000509640467 294343815 /nfs/dbraw/zinc/34/38/15/294343815.db2.gz PBRMSSUMWAJCAU-MROQNXINSA-N -1 1 295.452 3.438 20 0 CGADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc([O-])cc2F)C1 ZINC000154943231 321753996 /nfs/dbraw/zinc/75/39/96/321753996.db2.gz XRBMRQXEJGKJFN-ZYHUDNBSSA-N -1 1 297.395 3.278 20 0 CGADMM Cc1cccc([C@H](C)S(=O)(=O)c2ccc([O-])cc2)c1 ZINC000172871935 321945418 /nfs/dbraw/zinc/94/54/18/321945418.db2.gz VSMFRJZFJCPJIW-LBPRGKRZSA-N -1 1 276.357 3.236 20 0 CGADMM C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000563886748 322014244 /nfs/dbraw/zinc/01/42/44/322014244.db2.gz XTCUETPCXKZNFB-SUNKGSAMSA-N -1 1 281.783 3.444 20 0 CGADMM CCN(Cc1oncc1C(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000564803068 322043724 /nfs/dbraw/zinc/04/37/24/322043724.db2.gz NPEYHLOBLBCGIG-JTQLQIEISA-N -1 1 292.310 3.095 20 0 CGADMM Cc1cccc(C)c1OCCSc1ncc(C)c(=O)[n-]1 ZINC000565241476 322069184 /nfs/dbraw/zinc/06/91/84/322069184.db2.gz UGIUULJKPUSGHB-UHFFFAOYSA-N -1 1 290.388 3.279 20 0 CGADMM CCc1nc(SC[C@@H](C)C(F)(F)F)[n-]c(=O)c1C ZINC000565243419 322069808 /nfs/dbraw/zinc/06/98/08/322069808.db2.gz YEQZKNUURPXDLY-ZCFIWIBFSA-N -1 1 280.315 3.344 20 0 CGADMM CCN(Cc1c(Cl)cccc1C(=O)[O-])C[C@@H]1CCCO1 ZINC000567117011 322151272 /nfs/dbraw/zinc/15/12/72/322151272.db2.gz SUVBLRUXVGXKFS-NSHDSACASA-N -1 1 297.782 3.039 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2c(C)nsc2C)n1 ZINC000568232395 322199000 /nfs/dbraw/zinc/19/90/00/322199000.db2.gz NWDZXOXMTKJWSK-UHFFFAOYSA-N -1 1 281.406 3.110 20 0 CGADMM CCCN(C[C@H]1CCCCO1)[C@@H](C(=O)[O-])c1ccsc1 ZINC000568639723 322216690 /nfs/dbraw/zinc/21/66/90/322216690.db2.gz SSWMHXBLITXOPP-ZIAGYGMSSA-N -1 1 297.420 3.155 20 0 CGADMM CCN(CCC(=O)[O-])Cc1csc(-c2cccs2)n1 ZINC000569583957 322251273 /nfs/dbraw/zinc/25/12/73/322251273.db2.gz DMDUHDSZMYWGOX-UHFFFAOYSA-N -1 1 296.417 3.168 20 0 CGADMM C[C@H]1SCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1C ZINC000571053435 322288849 /nfs/dbraw/zinc/28/88/49/322288849.db2.gz KXGCYAXDINBSGO-NXEZZACHSA-N -1 1 299.823 3.364 20 0 CGADMM Cc1occc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000232390313 333336194 /nfs/dbraw/zinc/33/61/94/333336194.db2.gz SLYXYWLKIGRHQA-UHFFFAOYSA-N -1 1 260.224 3.150 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2c(F)cc(F)cc2F)no1 ZINC000179338645 335488338 /nfs/dbraw/zinc/48/83/38/335488338.db2.gz FFXXITJZGATPBT-UHFFFAOYSA-N -1 1 284.237 3.468 20 0 CGADMM Cc1ccc(CC[C@H](C)NC(=O)c2cc(F)ccc2[O-])o1 ZINC000436580547 533825466 /nfs/dbraw/zinc/82/54/66/533825466.db2.gz BVDKWFBTMUYIHL-JTQLQIEISA-N -1 1 291.322 3.184 20 0 CGADMM CS[C@@H](C)CCC(=O)Nc1ccc(F)cc1[O-] ZINC000358695236 533905408 /nfs/dbraw/zinc/90/54/08/533905408.db2.gz HLUAAHAPQVZWAW-QMMMGPOBSA-N -1 1 257.330 3.002 20 0 CGADMM Cc1cc(=O)[nH]c(C=Cc2ccc([O-])c(Cl)c2)n1 ZINC000436783006 534015856 /nfs/dbraw/zinc/01/58/56/534015856.db2.gz KHUGAUDZIUSFBA-HWKANZROSA-N -1 1 262.696 3.020 20 0 CGADMM Cc1nc(CNCc2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000426664678 534386799 /nfs/dbraw/zinc/38/67/99/534386799.db2.gz GXAUFRXXWKFGLQ-UHFFFAOYSA-N -1 1 290.750 3.031 20 0 CGADMM O=C([O-])c1cccc(CNCc2ccc(Cl)cc2F)c1 ZINC000426669791 534548662 /nfs/dbraw/zinc/54/86/62/534548662.db2.gz ALKUGSFLHBPGSO-UHFFFAOYSA-N -1 1 293.725 3.467 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccc(CCO)cc2)c([O-])c1 ZINC000436589974 528079972 /nfs/dbraw/zinc/07/99/72/528079972.db2.gz XKNOCSGORIIBDF-UHFFFAOYSA-N -1 1 299.370 3.303 20 0 CGADMM CC(C)c1cccnc1NC(=O)c1ccccc1[O-] ZINC000436613019 528207576 /nfs/dbraw/zinc/20/75/76/528207576.db2.gz ZRJVPJMMPGSSOW-UHFFFAOYSA-N -1 1 256.305 3.163 20 0 CGADMM CCCn1nccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436539481 528896415 /nfs/dbraw/zinc/89/64/15/528896415.db2.gz YMLADJXDODZZAW-UHFFFAOYSA-N -1 1 287.363 3.374 20 0 CGADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C)o2)[nH]n1 ZINC000358523116 528909558 /nfs/dbraw/zinc/90/95/58/528909558.db2.gz CRFPLNGNUWAADO-SECBINFHSA-N -1 1 297.380 3.016 20 0 CGADMM CC1(C)C[C@@H](Sc2nc(C(F)F)cc(=O)[n-]2)CCO1 ZINC000413002999 529141861 /nfs/dbraw/zinc/14/18/61/529141861.db2.gz PEVFFGAWAFHHMW-ZETCQYMHSA-N -1 1 290.335 3.170 20 0 CGADMM CCC(CC)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000450968325 535080040 /nfs/dbraw/zinc/08/00/40/535080040.db2.gz KMNDZHNCKQTPJF-UHFFFAOYSA-N -1 1 285.340 3.039 20 0 CGADMM COc1cc(C)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094032024 536665771 /nfs/dbraw/zinc/66/57/71/536665771.db2.gz BZABWYUXWDFLPC-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(C)ccn2)cc1 ZINC000731779368 572426747 /nfs/dbraw/zinc/42/67/47/572426747.db2.gz DPBQNMNRKIWVCF-NTMALXAHSA-N -1 1 288.372 3.111 20 0 CGADMM O=C([O-])c1ccc(CNCc2csc3ccccc23)o1 ZINC000740132982 572433934 /nfs/dbraw/zinc/43/39/34/572433934.db2.gz QOIDAROBWVZHPR-UHFFFAOYSA-N -1 1 287.340 3.482 20 0 CGADMM CC[C@@H](C)CN(C)C(=O)c1c([O-])cccc1Cl ZINC000732291777 572458865 /nfs/dbraw/zinc/45/88/65/572458865.db2.gz NYBXYVIKWYMETF-SECBINFHSA-N -1 1 255.745 3.164 20 0 CGADMM Cc1cccnc1[C@@H](NCc1occc1C(=O)[O-])C(C)C ZINC000738786369 572640744 /nfs/dbraw/zinc/64/07/44/572640744.db2.gz OSNOCDSKBOOXFS-AWEZNQCLSA-N -1 1 288.347 3.168 20 0 CGADMM C[Si](C)(C)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000735980213 572759185 /nfs/dbraw/zinc/75/91/85/572759185.db2.gz TXHGNKQWRBGVJA-UHFFFAOYSA-N -1 1 282.363 3.171 20 0 CGADMM O=C(OCCC1CCCC1)c1c([O-])cc(F)cc1F ZINC000744879571 572780870 /nfs/dbraw/zinc/78/08/70/572780870.db2.gz CMSAECYOSTXUEX-UHFFFAOYSA-N -1 1 270.275 3.408 20 0 CGADMM C[C@]1([N-]C(=O)C(F)(F)C(F)F)CCCc2ccccc21 ZINC000749366672 572994456 /nfs/dbraw/zinc/99/44/56/572994456.db2.gz GVJSFMTWHFYDET-ZDUSSCGKSA-N -1 1 289.272 3.255 20 0 CGADMM C[C@@H](c1ccco1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000086724972 597344850 /nfs/dbraw/zinc/34/48/50/597344850.db2.gz ZEPQSJZLFGNQRC-NSHDSACASA-N -1 1 259.305 3.171 20 0 CGADMM CCc1ccc([C@@H](C)NCc2cccc(C(=O)[O-])c2)o1 ZINC000820480148 598192493 /nfs/dbraw/zinc/19/24/93/598192493.db2.gz YLGRLXGCWVVLCH-LLVKDONJSA-N -1 1 273.332 3.391 20 0 CGADMM CC(C)[C@H](NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000061680980 598193025 /nfs/dbraw/zinc/19/30/25/598193025.db2.gz XXWFSWIVWSQRCE-AWEZNQCLSA-N -1 1 290.388 3.009 20 0 CGADMM Cc1ccc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1C ZINC000737319980 599420013 /nfs/dbraw/zinc/42/00/13/599420013.db2.gz IDGJVOSKZLRLIA-GFCCVEGCSA-N -1 1 294.362 3.052 20 0 CGADMM Cc1ccc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1C ZINC000737319980 599420015 /nfs/dbraw/zinc/42/00/15/599420015.db2.gz IDGJVOSKZLRLIA-GFCCVEGCSA-N -1 1 294.362 3.052 20 0 CGADMM C[C@@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820698149 599528203 /nfs/dbraw/zinc/52/82/03/599528203.db2.gz QJJYFGOTOQVODO-PWSUYJOCSA-N -1 1 294.362 3.015 20 0 CGADMM C[C@@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820698149 599528204 /nfs/dbraw/zinc/52/82/04/599528204.db2.gz QJJYFGOTOQVODO-PWSUYJOCSA-N -1 1 294.362 3.015 20 0 CGADMM CCN(CC)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000829680127 600817222 /nfs/dbraw/zinc/81/72/22/600817222.db2.gz PZQYDQFRWFDZHG-UHFFFAOYSA-N -1 1 290.388 3.350 20 0 CGADMM Cc1[n-]n(-c2nc(C(F)(F)F)cs2)c(=O)c1C(C)C ZINC000899353437 620649191 /nfs/dbraw/zinc/64/91/91/620649191.db2.gz ZZNCQTAIYMSKBM-MRVPVSSYSA-N -1 1 291.298 3.157 20 0 CGADMM CN(Cc1cc(Cl)cn1C)Cc1cccc(C(=O)[O-])c1 ZINC000830844565 601966292 /nfs/dbraw/zinc/96/62/92/601966292.db2.gz DPNIFYKFCIUPQS-UHFFFAOYSA-N -1 1 292.766 3.009 20 0 CGADMM C[C@H](C(=O)[O-])[C@@H](NC/C(Cl)=C/Cl)c1ccccc1 ZINC000826055018 602046962 /nfs/dbraw/zinc/04/69/62/602046962.db2.gz URTQWZHSAANQKQ-WRMALQLSSA-N -1 1 288.174 3.357 20 0 CGADMM Cc1ccoc1CNCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830615817 604413858 /nfs/dbraw/zinc/41/38/58/604413858.db2.gz CSOBLDSMZIAGMY-LBPRGKRZSA-N -1 1 288.347 3.206 20 0 CGADMM CC(C)(C)c1ccc(CN2CCC[C@H]2C(=O)[O-])s1 ZINC000166275927 604631800 /nfs/dbraw/zinc/63/18/00/604631800.db2.gz PHAVKKPBYQMBEP-NSHDSACASA-N -1 1 267.394 3.095 20 0 CGADMM O=C([O-])c1occc1CNCc1coc2ccccc12 ZINC000833785325 605094803 /nfs/dbraw/zinc/09/48/03/605094803.db2.gz PPPHLWLATPSJLW-UHFFFAOYSA-N -1 1 271.272 3.014 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CN[C@H](CC(C)(C)C)C(=O)[O-])o1 ZINC000833604545 605152864 /nfs/dbraw/zinc/15/28/64/605152864.db2.gz JSUCMAGOABBDJH-RAIGVLPGSA-N -1 1 279.380 3.382 20 0 CGADMM C[C@@H](c1cc(F)ccc1F)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833831598 605909472 /nfs/dbraw/zinc/90/94/72/605909472.db2.gz OOBSFAYCCQAXLJ-VWYCJHECSA-N -1 1 298.333 3.004 20 0 CGADMM Clc1nsc(SC2CCCC2)c1-c1nnn[n-]1 ZINC000826354380 608170729 /nfs/dbraw/zinc/17/07/29/608170729.db2.gz AEDOJAFUZGYRSB-UHFFFAOYSA-N -1 1 287.801 3.011 20 0 CGADMM Clc1nsc(SC2CCCC2)c1-c1nn[n-]n1 ZINC000826354380 608170732 /nfs/dbraw/zinc/17/07/32/608170732.db2.gz AEDOJAFUZGYRSB-UHFFFAOYSA-N -1 1 287.801 3.011 20 0 CGADMM c1cc(-c2nn[n-]n2)sc1CNc1ccc(C2CC2)cc1 ZINC000826515306 608252381 /nfs/dbraw/zinc/25/23/81/608252381.db2.gz URCZITPIPVRIGW-UHFFFAOYSA-N -1 1 297.387 3.418 20 0 CGADMM CN(Cn1c(CCC2CCCC2)n[n-]c1=S)C1CC1 ZINC000049516188 617613388 /nfs/dbraw/zinc/61/33/88/617613388.db2.gz SBYXEBIWIYIQOQ-UHFFFAOYSA-N -1 1 280.441 3.115 20 0 CGADMM CCO[N-]C(=O)[C@H](CC)c1ccc(Br)cc1 ZINC000858261696 617614136 /nfs/dbraw/zinc/61/41/36/617614136.db2.gz ACCIWPJGSLEVLK-LLVKDONJSA-N -1 1 286.169 3.010 20 0 CGADMM CC(C)c1ccccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900092887 620761325 /nfs/dbraw/zinc/76/13/25/620761325.db2.gz QSEJBKMTTSURAF-UHFFFAOYSA-N -1 1 297.358 3.435 20 0 CGADMM C[C@@H](C(=O)[N-]OCCC(F)(F)F)c1ccc(Cl)cc1 ZINC000845960053 618060696 /nfs/dbraw/zinc/06/06/96/618060696.db2.gz HBYSMLIVBCCZNB-MRVPVSSYSA-N -1 1 295.688 3.444 20 0 CGADMM CCc1cccc(C)c1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900304778 620778407 /nfs/dbraw/zinc/77/84/07/620778407.db2.gz HGRKRGUKJBRRQM-UHFFFAOYSA-N -1 1 297.358 3.183 20 0 CGADMM CC1(C)C(C)(C)C1(C)NC(=O)c1c[nH]c2ccccc2c1=O ZINC000900861953 620817276 /nfs/dbraw/zinc/81/72/76/620817276.db2.gz GMENLBXOPLMKEN-UHFFFAOYSA-N -1 1 298.386 3.083 20 0 CGADMM O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1ccc([O-])c(Cl)c1 ZINC000935021034 618719489 /nfs/dbraw/zinc/71/94/89/618719489.db2.gz OXRSTGPUXRSUOT-BXUZGUMPSA-N -1 1 295.766 3.332 20 0 CGADMM C/C(=C(\F)C(=O)Nc1ccc([O-])c(F)c1F)C1CC1 ZINC000909371178 619190377 /nfs/dbraw/zinc/19/03/77/619190377.db2.gz GGNIJFQZEJLXHT-UXBLZVDNSA-N -1 1 271.238 3.262 20 0 CGADMM CC(C)CCN(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895665868 619868394 /nfs/dbraw/zinc/86/83/94/619868394.db2.gz QJZPXDBOUHYJNR-UHFFFAOYSA-N -1 1 287.359 3.369 20 0 CGADMM CC1=C(C)CN(C(=O)c2ccc3ccc(O)cc3c2[O-])CC1 ZINC000897632557 620414590 /nfs/dbraw/zinc/41/45/90/620414590.db2.gz QWRGPEXPGLQZJI-UHFFFAOYSA-N -1 1 297.354 3.433 20 0 CGADMM CC(C)(C)c1ncc(CN2CCC(CC(=O)[O-])CC2)s1 ZINC000901419135 620882034 /nfs/dbraw/zinc/88/20/34/620882034.db2.gz KQLKJXMQQBXOCJ-UHFFFAOYSA-N -1 1 296.436 3.127 20 0 CGADMM CC(C)C(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901620302 620952094 /nfs/dbraw/zinc/95/20/94/620952094.db2.gz ZYGHSVRIGQQNEC-UHFFFAOYSA-N -1 1 288.372 3.166 20 0 CGADMM Cc1cc(CNCc2ccc(C(=O)[O-])cc2F)c(C)s1 ZINC000901760515 621024528 /nfs/dbraw/zinc/02/45/28/621024528.db2.gz WZPRWAYOGAZEAO-UHFFFAOYSA-N -1 1 293.363 3.492 20 0 CGADMM CCOc1ccccc1CNCc1csc(C(=O)[O-])c1 ZINC000902094892 621145554 /nfs/dbraw/zinc/14/55/54/621145554.db2.gz SCTXSDGOGNIPTI-UHFFFAOYSA-N -1 1 291.372 3.135 20 0 CGADMM Cc1oc(CN[C@@H]2CCc3cc(C)ccc32)cc1C(=O)[O-] ZINC000902175680 621184708 /nfs/dbraw/zinc/18/47/08/621184708.db2.gz SSGHBXXETUFVPR-MRXNPFEDSA-N -1 1 285.343 3.372 20 0 CGADMM Cc1cccc([C@H](C)NCc2cc(C(=O)[O-])co2)c1C ZINC000902267756 621233353 /nfs/dbraw/zinc/23/33/53/621233353.db2.gz CSWFGNACJOPNFU-LBPRGKRZSA-N -1 1 273.332 3.445 20 0 CGADMM Cc1nc2cc(NCc3cc(C(=O)[O-])oc3C)ccc2n1C ZINC000902326210 621263551 /nfs/dbraw/zinc/26/35/51/621263551.db2.gz FHNOTTGRNKOVNJ-UHFFFAOYSA-N -1 1 299.330 3.093 20 0 CGADMM C[C@@H]1CCCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])C1 ZINC000903882306 621826319 /nfs/dbraw/zinc/82/63/19/621826319.db2.gz OBHNBRTVHUKACQ-MRVPVSSYSA-N -1 1 291.269 3.229 20 0 CGADMM Cc1nc(CN2CCC[C@H]2CC(=O)[O-])sc1C(C)(C)C ZINC000903901854 621830439 /nfs/dbraw/zinc/83/04/39/621830439.db2.gz RNYQMTBSONPQKQ-NSHDSACASA-N -1 1 296.436 3.188 20 0 CGADMM Cc1nc(CN2CC[C@@H](C(=O)[O-])[C@@H]2C)sc1C(C)(C)C ZINC000903904283 621831344 /nfs/dbraw/zinc/83/13/44/621831344.db2.gz IRYBZKHZQLFTFZ-WDEREUQCSA-N -1 1 296.436 3.044 20 0 CGADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1coc(C(C)(C)C)n1 ZINC000903911657 621832583 /nfs/dbraw/zinc/83/25/83/621832583.db2.gz LJVNSQLJSMHQGZ-QWRGUYRKSA-N -1 1 294.395 3.046 20 0 CGADMM Cc1ccc(CN(Cc2ccoc2)C2CC2)cc1C(=O)[O-] ZINC000903946362 621839719 /nfs/dbraw/zinc/83/97/19/621839719.db2.gz FMKJGGXORHLSNT-UHFFFAOYSA-N -1 1 285.343 3.451 20 0 CGADMM CC[C@@H](NCC(C)=Cc1ccccc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064803 621862318 /nfs/dbraw/zinc/86/23/18/621862318.db2.gz MWXPSHHYMFGDPB-FWLQQBITSA-N -1 1 299.374 3.252 20 0 CGADMM COc1cnc(C=Cc2cccc3c2OC(C)(C)C3)[n-]c1=O ZINC000905076670 622037685 /nfs/dbraw/zinc/03/76/85/622037685.db2.gz KDURFTCTGXEYFC-BQYQJAHWSA-N -1 1 298.342 3.075 20 0 CGADMM O=C(CCC(F)F)Nc1cccc([O-])c1Br ZINC000908708500 622368898 /nfs/dbraw/zinc/36/88/98/622368898.db2.gz WEAAZNJVYLDRRR-UHFFFAOYSA-N -1 1 294.095 3.139 20 0 CGADMM C/C(=C\C(=O)Nc1cccc([O-])c1Br)C1CC1 ZINC000908717117 622369597 /nfs/dbraw/zinc/36/95/97/622369597.db2.gz VDISTGGOHRYPDH-BQYQJAHWSA-N -1 1 296.164 3.450 20 0 CGADMM O=C(CC1CCCC1)Nc1cc([O-])c(F)cc1F ZINC000909973425 622439714 /nfs/dbraw/zinc/43/97/14/622439714.db2.gz ZMUHLCBZDQXVSM-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM Cc1noc(C)c1[C@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909976578 622440285 /nfs/dbraw/zinc/44/02/85/622440285.db2.gz BZPHCSQVDKQBNA-LURJTMIESA-N -1 1 296.273 3.017 20 0 CGADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909986229 622442979 /nfs/dbraw/zinc/44/29/79/622442979.db2.gz DHQQGXWRSNYINL-VHSXEESVSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCCCCC(=O)C1 ZINC000909987209 622443862 /nfs/dbraw/zinc/44/38/62/622443862.db2.gz MAHAZFARLQYFRG-VIFPVBQESA-N -1 1 297.301 3.148 20 0 CGADMM CCOCCC1(C(=O)Nc2cc([O-])c(F)cc2F)CCC1 ZINC000909984039 622445299 /nfs/dbraw/zinc/44/52/99/622445299.db2.gz HUAMNVQQHBZDEB-UHFFFAOYSA-N -1 1 299.317 3.206 20 0 CGADMM CCc1csc([C@@H](C)NC(=O)c2ccc([O-])cc2F)n1 ZINC000910728393 622500346 /nfs/dbraw/zinc/50/03/46/622500346.db2.gz CUWDDZOCJGCSPD-MRVPVSSYSA-N -1 1 294.351 3.041 20 0 CGADMM CCc1csc([C@@H](C)NC(=O)c2ccc([O-])c(F)c2)n1 ZINC000910735408 622501373 /nfs/dbraw/zinc/50/13/73/622501373.db2.gz JVJKYWXIRUSHDY-MRVPVSSYSA-N -1 1 294.351 3.041 20 0 CGADMM CC1(C)CC[C@H](CC(=O)Nc2cc(F)cc(F)c2[O-])OC1 ZINC000910991262 622513820 /nfs/dbraw/zinc/51/38/20/622513820.db2.gz NZRCJEZOEZZXJV-SNVBAGLBSA-N -1 1 299.317 3.204 20 0 CGADMM Cc1nc(C(C)C)oc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910990561 622514480 /nfs/dbraw/zinc/51/44/80/622514480.db2.gz ZAPHCSAHERDHAQ-UHFFFAOYSA-N -1 1 296.273 3.343 20 0 CGADMM O=C([O-])c1coc(CN[C@@H]2CCCc3ccccc32)c1 ZINC000228156844 623044976 /nfs/dbraw/zinc/04/49/76/623044976.db2.gz KAJABETVPIGHTA-OAHLLOKOSA-N -1 1 271.316 3.145 20 0 CGADMM Cc1ccc(COC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000063543490 623333143 /nfs/dbraw/zinc/33/31/43/623333143.db2.gz IFGWJHWLOUNAOU-UHFFFAOYSA-N -1 1 278.254 3.336 20 0 CGADMM COC(=O)c1ccc(/C=C/c2ccc([O-])c(Cl)c2)nc1 ZINC000921269173 624579079 /nfs/dbraw/zinc/57/90/79/624579079.db2.gz KEFIJDSLUNIVQI-GORDUTHDSA-N -1 1 289.718 3.398 20 0 CGADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc[nH]1 ZINC000760722928 626987496 /nfs/dbraw/zinc/98/74/96/626987496.db2.gz AVORANNCMNWRBB-LLVKDONJSA-N -1 1 280.327 3.365 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)C1CCCC1 ZINC000764265725 627201926 /nfs/dbraw/zinc/20/19/26/627201926.db2.gz VYSYVFLBSTVVGU-SECBINFHSA-N -1 1 267.756 3.354 20 0 CGADMM O=C([N-]OCC(F)(F)F)C1(Cc2ccccc2)CCC1 ZINC000766763513 627358894 /nfs/dbraw/zinc/35/88/94/627358894.db2.gz SSILTCZRKMKHAD-UHFFFAOYSA-N -1 1 287.281 3.010 20 0 CGADMM CC/C=C/CCOC(=O)c1c([O-])cc(F)cc1F ZINC000767530176 627415888 /nfs/dbraw/zinc/41/58/88/627415888.db2.gz YEWUYGKPWMQMJN-ONEGZZNKSA-N -1 1 256.248 3.184 20 0 CGADMM C[C@H](CC(F)(F)F)NC(=O)c1c([O-])cccc1Cl ZINC000768576509 627487319 /nfs/dbraw/zinc/48/73/19/627487319.db2.gz NCDURFIMSILWPL-ZCFIWIBFSA-N -1 1 281.661 3.116 20 0 CGADMM CC[C@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000769570779 627567581 /nfs/dbraw/zinc/56/75/81/627567581.db2.gz SQKASNWENXYRCU-JTQLQIEISA-N -1 1 267.756 3.450 20 0 CGADMM CCS[C@H]1CCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769948489 627591691 /nfs/dbraw/zinc/59/16/91/627591691.db2.gz UVTCUNXGABQGFS-PWSUYJOCSA-N -1 1 299.823 3.450 20 0 CGADMM Cc1ccc(C[C@@H](C)C(=O)[N-]Oc2ccccc2)cc1 ZINC000773465743 627887061 /nfs/dbraw/zinc/88/70/61/627887061.db2.gz LGGJMLFUVPDGFG-CQSZACIVSA-N -1 1 269.344 3.284 20 0 CGADMM O=C(OCc1cccc(F)c1)c1ccc([O-])cc1F ZINC000773571929 627898012 /nfs/dbraw/zinc/89/80/12/627898012.db2.gz HLQWMJCUINGRAD-UHFFFAOYSA-N -1 1 264.227 3.027 20 0 CGADMM CC1(NC(=O)c2ccc3ccccc3c2[O-])CC(F)(F)C1 ZINC000874856703 634636936 /nfs/dbraw/zinc/63/69/36/634636936.db2.gz KEPKVIBXZYBFFP-UHFFFAOYSA-N -1 1 291.297 3.463 20 0 CGADMM Cc1nc(SC/C(Cl)=C/Cl)[n-]c(=O)c1C ZINC000776869298 628235509 /nfs/dbraw/zinc/23/55/09/628235509.db2.gz LSDSBUSPMKHNFT-CLTKARDFSA-N -1 1 265.165 3.210 20 0 CGADMM Cc1cccc([C@@H](C)C(=O)[N-]OC2CCCCC2)c1 ZINC000777963670 628316109 /nfs/dbraw/zinc/31/61/09/628316109.db2.gz KSONNNIRGDEDOY-CYBMUJFWSA-N -1 1 261.365 3.479 20 0 CGADMM COc1cc(C=C2SC(=O)[N-]C2=O)cc2ccccc21 ZINC000874929554 634653948 /nfs/dbraw/zinc/65/39/48/634653948.db2.gz HNMFQWBPPMNTTJ-MDWZMJQESA-N -1 1 285.324 3.172 20 0 CGADMM CCCOc1ccc(C=C2SC(=O)[N-]C2=O)c(C)c1 ZINC000874930128 634654974 /nfs/dbraw/zinc/65/49/74/634654974.db2.gz XIXJCDXUELZKIL-WQLSENKSSA-N -1 1 277.345 3.108 20 0 CGADMM CC[C@H](C)[C@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000780244840 628469162 /nfs/dbraw/zinc/46/91/62/628469162.db2.gz XAHAHNIGWZHSMH-RYUDHWBXSA-N -1 1 292.375 3.363 20 0 CGADMM Cc1ccc(C)c(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000789930623 629174744 /nfs/dbraw/zinc/17/47/44/629174744.db2.gz WKYYNPNSVPWGEH-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])c(Cl)n1 ZINC000790047328 629179747 /nfs/dbraw/zinc/17/97/47/629179747.db2.gz JYQLLLKOHVTIME-UHFFFAOYSA-N -1 1 298.129 3.050 20 0 CGADMM CC1(C(=O)Nc2nc(Br)ccc2[O-])CCCC1 ZINC000790046936 629179769 /nfs/dbraw/zinc/17/97/69/629179769.db2.gz QYQCCYJXPAHRFN-UHFFFAOYSA-N -1 1 299.168 3.069 20 0 CGADMM C[C@@H]1CC/C(=C/C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000863476322 629582643 /nfs/dbraw/zinc/58/26/43/629582643.db2.gz ADTJWQRFIUSIJJ-NPRUJURCSA-N -1 1 297.358 3.263 20 0 CGADMM CC(F)(F)C(=O)[N-]Cc1csc(C(F)(F)F)c1 ZINC000863493484 629591992 /nfs/dbraw/zinc/59/19/92/629591992.db2.gz ASEPVSXKJPBLEU-UHFFFAOYSA-N -1 1 273.226 3.038 20 0 CGADMM COC(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(C)cc2)[n-]1 ZINC000796978175 629867791 /nfs/dbraw/zinc/86/77/91/629867791.db2.gz YSPCSSIKEQTCCL-NSHDSACASA-N -1 1 287.315 3.028 20 0 CGADMM O=C(C[C@@H]1CCC(F)(F)C1)Nc1c([O-])cccc1F ZINC000797958297 630008233 /nfs/dbraw/zinc/00/82/33/630008233.db2.gz IWQFULQVKROLRK-QMMMGPOBSA-N -1 1 273.254 3.295 20 0 CGADMM C[C@@H](C(=O)[N-]OCC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000798993567 630132867 /nfs/dbraw/zinc/13/28/67/630132867.db2.gz MHJATJSFCYRBNO-SSDOTTSWSA-N -1 1 297.223 3.122 20 0 CGADMM C[C@H]1CC(C)(C)CN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876396778 634826368 /nfs/dbraw/zinc/82/63/68/634826368.db2.gz PGCMEQYEXIZBCH-JTQLQIEISA-N -1 1 296.798 3.376 20 0 CGADMM C[Si](C)(C)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000809986877 630824357 /nfs/dbraw/zinc/82/43/57/630824357.db2.gz NRFMJMCKGCCPHT-UHFFFAOYSA-N -1 1 264.373 3.089 20 0 CGADMM CCC/C(C)=C/C(=O)Nc1ccc([O-])c(F)c1F ZINC000837087126 634851843 /nfs/dbraw/zinc/85/18/43/634851843.db2.gz AFPBAVNYELRNFM-BQYQJAHWSA-N -1 1 255.264 3.355 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC000816976965 632066389 /nfs/dbraw/zinc/06/63/89/632066389.db2.gz NLFCXVXUZNQCNT-WFASDCNBSA-N -1 1 279.380 3.283 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000822543688 632967207 /nfs/dbraw/zinc/96/72/07/632967207.db2.gz ZEEPFNTUVPLFMA-ILWJIGKKSA-N -1 1 281.302 3.435 20 0 CGADMM O=C(NCC1CCC2(CC2)CC1)c1c(F)ccc([O-])c1F ZINC000871018533 633679893 /nfs/dbraw/zinc/67/98/93/633679893.db2.gz ANCUDVYXJIZLQG-UHFFFAOYSA-N -1 1 295.329 3.371 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871523791 633789451 /nfs/dbraw/zinc/78/94/51/633789451.db2.gz NQOMENMSPUOVTO-BETUJISGSA-N -1 1 291.778 3.013 20 0 CGADMM CC(C)c1c(Cc2ccccc2)[n-]n(C2CCC2)c1=O ZINC000871942256 633921578 /nfs/dbraw/zinc/92/15/78/633921578.db2.gz FKHGQGHUQXKMCM-MRXNPFEDSA-N -1 1 270.376 3.252 20 0 CGADMM CCc1[n-]n(Cc2cccc(C(F)(F)F)c2)c(=O)c1F ZINC000871945413 633923083 /nfs/dbraw/zinc/92/30/83/633923083.db2.gz PDKQZKFMDVGNMZ-NSHDSACASA-N -1 1 288.244 3.152 20 0 CGADMM CCc1[n-]n(-c2ccc(Cl)nc2)c(=O)c1C(C)C ZINC000871955211 633925531 /nfs/dbraw/zinc/92/55/31/633925531.db2.gz XGNHTUSPIGSFML-LBPRGKRZSA-N -1 1 265.744 3.120 20 0 CGADMM COCC1([N@@H+](C)Cc2c(Cl)cccc2C(=O)[O-])CCC1 ZINC000872171150 634076225 /nfs/dbraw/zinc/07/62/25/634076225.db2.gz NPVAIWQGTZGNOL-UHFFFAOYSA-N -1 1 297.782 3.039 20 0 CGADMM COCC1(N(C)Cc2c(Cl)cccc2C(=O)[O-])CCC1 ZINC000872171150 634076231 /nfs/dbraw/zinc/07/62/31/634076231.db2.gz NPVAIWQGTZGNOL-UHFFFAOYSA-N -1 1 297.782 3.039 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)NC1CC2(CCC2)C1 ZINC000873056587 634238566 /nfs/dbraw/zinc/23/85/66/634238566.db2.gz HECGBBJAXZYSQP-UHFFFAOYSA-N -1 1 294.782 3.178 20 0 CGADMM O=C(/C=C\C1CCCC1)NCc1ccc([O-])c(Cl)c1 ZINC000834821553 634248598 /nfs/dbraw/zinc/24/85/98/634248598.db2.gz BBJGFHLWHPBPSA-VURMDHGXSA-N -1 1 279.767 3.408 20 0 CGADMM CC[C@@H](C)[C@@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825563 634249178 /nfs/dbraw/zinc/24/91/78/634249178.db2.gz MRAQSCAKFSAZEP-NXEZZACHSA-N -1 1 269.772 3.344 20 0 CGADMM CC1(C)CC(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000834825481 634249792 /nfs/dbraw/zinc/24/97/92/634249792.db2.gz KXFISCGWLDWGEZ-UHFFFAOYSA-N -1 1 267.756 3.098 20 0 CGADMM CC(C)([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(C)(F)F ZINC000847120747 636344339 /nfs/dbraw/zinc/34/43/39/636344339.db2.gz YIEHHCYOPYEMAZ-UHFFFAOYSA-N -1 1 295.251 3.468 20 0 CGADMM Cc1cnc(SC[C@]2(C)CC2(Cl)Cl)[n-]c1=O ZINC000849902901 636904606 /nfs/dbraw/zinc/90/46/06/636904606.db2.gz GDVUYTHQEHZSIY-VIFPVBQESA-N -1 1 279.192 3.167 20 0 CGADMM CCc1nc(SCc2ccc(Cl)nc2)[n-]c(=O)c1C ZINC000849922013 636909185 /nfs/dbraw/zinc/90/91/85/636909185.db2.gz ZXPOSDXXWSZJKH-UHFFFAOYSA-N -1 1 295.795 3.394 20 0 CGADMM CC1(C)C[C@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676741 637283781 /nfs/dbraw/zinc/28/37/81/637283781.db2.gz UALYWVZLKKATIF-LURJTMIESA-N -1 1 257.692 3.169 20 0 CGADMM CC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCC1 ZINC000885676870 638034240 /nfs/dbraw/zinc/03/42/40/638034240.db2.gz UZACHKLRURUWAW-UHFFFAOYSA-N -1 1 257.692 3.313 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)NC1(C2CC2)CCC1 ZINC000889645121 638087180 /nfs/dbraw/zinc/08/71/80/638087180.db2.gz NGLYXBAJKLPFQJ-UHFFFAOYSA-N -1 1 294.782 3.178 20 0 CGADMM C[C@@]1(CCNC(=O)c2c([O-])cccc2Cl)CC1(F)F ZINC000855807778 638256459 /nfs/dbraw/zinc/25/64/59/638256459.db2.gz VSITXBQLJIXNKO-GFCCVEGCSA-N -1 1 289.709 3.211 20 0 CGADMM CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000924007415 638288077 /nfs/dbraw/zinc/28/80/77/638288077.db2.gz NAFQMRGIJFLVDV-LBPRGKRZSA-N -1 1 291.326 3.127 20 0 CGADMM COc1ccc(C(=O)Nc2nccc(C)c2C2CC2)c([O-])c1 ZINC000857647096 638543731 /nfs/dbraw/zinc/54/37/31/638543731.db2.gz ZSDGDZVAMHPQCV-UHFFFAOYSA-N -1 1 298.342 3.234 20 0 CGADMM C[C@@H]1CC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)[C@@H](C)C1 ZINC000858410507 638706746 /nfs/dbraw/zinc/70/67/46/638706746.db2.gz TTXUBEGHQLMZHU-HRDYMLBCSA-N -1 1 255.749 3.072 20 0 CGADMM C[C@H]1CCCC[C@H]1CCNc1cc(Cl)[n-]c(=O)n1 ZINC000858410828 638707668 /nfs/dbraw/zinc/70/76/68/638707668.db2.gz BCGMTOLOOVSSLJ-UWVGGRQHSA-N -1 1 269.776 3.464 20 0 CGADMM CCC1(CC)[C@H](Nc2cc(Cl)[n-]c(=O)n2)[C@@H](C)[C@H]1OC ZINC000858465339 638725480 /nfs/dbraw/zinc/72/54/80/638725480.db2.gz DNJQMOLLTNDLPV-GGZOMVNGSA-N -1 1 299.802 3.087 20 0 CGADMM O=c1nc(NC[C@@H]2CCC3(CCCCC3)O2)cc(Cl)[n-]1 ZINC000858512647 638751720 /nfs/dbraw/zinc/75/17/20/638751720.db2.gz JTFSNTNZIPTHOX-JTQLQIEISA-N -1 1 297.786 3.129 20 0 CGADMM O=c1nc(N[C@H]2C[C@H](c3ccccc3F)C2)cc(Cl)[n-]1 ZINC000858525865 638755348 /nfs/dbraw/zinc/75/53/48/638755348.db2.gz MPXPEPZTDFIJOM-KYZUINATSA-N -1 1 293.729 3.333 20 0 CGADMM CC(C)C[C@]1(C)CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858559478 638761870 /nfs/dbraw/zinc/76/18/70/638761870.db2.gz JREDWNDSPSXJNF-ZDUSSCGKSA-N -1 1 269.776 3.241 20 0 CGADMM C[C@@H](CCc1ccco1)NC(=O)c1c([O-])cccc1Cl ZINC000049085309 640082717 /nfs/dbraw/zinc/08/27/17/640082717.db2.gz SBACLWFWWYLQMJ-JTQLQIEISA-N -1 1 293.750 3.390 20 0 CGADMM CSc1cc(O)ccc1NC(=O)c1ccccc1[O-] ZINC000191205008 640297056 /nfs/dbraw/zinc/29/70/56/640297056.db2.gz SYCQSFCGYSQKHH-UHFFFAOYSA-N -1 1 275.329 3.072 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccnc2ccccc21 ZINC000193196139 640440823 /nfs/dbraw/zinc/44/08/23/640440823.db2.gz YNJYAJYRJZGCFN-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM O=C(NCC1CCC=CCC1)c1ccc(F)c([O-])c1 ZINC001156434297 805692119 /nfs/dbraw/zinc/69/21/19/805692119.db2.gz GGLCVHYCLVJSBR-UHFFFAOYSA-N -1 1 263.312 3.008 20 0 CGADMM Cc1c2[nH]c(-c3ccccc3C(=O)[O-])nc2ccc1F ZINC001250880191 805793181 /nfs/dbraw/zinc/79/31/81/805793181.db2.gz UILVERNPHZEVJL-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM O=C([O-])c1ccsc1-c1nc2c([nH]1)c(F)c(F)cc2F ZINC001251011030 805827458 /nfs/dbraw/zinc/82/74/58/805827458.db2.gz JEDQGHONZIFAAC-UHFFFAOYSA-N -1 1 298.245 3.407 20 0 CGADMM Cc1ccc2nc(-c3ccccc3OCC(=O)[O-])[nH]c2c1 ZINC001251042627 805835819 /nfs/dbraw/zinc/83/58/19/805835819.db2.gz SCNQFUUYIRAOSM-UHFFFAOYSA-N -1 1 282.299 3.002 20 0 CGADMM COc1cccc2[nH]c(-c3cc(Cl)c([O-])cc3O)nc21 ZINC001251082018 805843943 /nfs/dbraw/zinc/84/39/43/805843943.db2.gz BIZUVHJEJGEJKE-UHFFFAOYSA-N -1 1 290.706 3.303 20 0 CGADMM Cc1c[nH]c(=O)c(-c2nc3c([n-]2)c(F)cc(F)c3F)c1 ZINC001251288315 805876778 /nfs/dbraw/zinc/87/67/78/805876778.db2.gz TYGQPPRMQDIHDR-UHFFFAOYSA-N -1 1 279.221 3.056 20 0 CGADMM Cn1c2cc(F)ccc2nc1-c1c(F)ccc([O-])c1F ZINC001251335551 805885087 /nfs/dbraw/zinc/88/50/87/805885087.db2.gz JEMWFCCLWSSDBE-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM [O-]c1ccc(F)c(-c2nc3c(cccc3F)[nH]2)c1F ZINC001251335786 805885363 /nfs/dbraw/zinc/88/53/63/805885363.db2.gz QCVKGYWYOCDIMN-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM CC[C@@H]1CCC[C@@H]1CNC(=O)c1cccc([O-])c1F ZINC001158376548 805948019 /nfs/dbraw/zinc/94/80/19/805948019.db2.gz OVKQRVIATDGCTC-GHMZBOCLSA-N -1 1 265.328 3.087 20 0 CGADMM CC1(C)C(C)(C)C1(C)NC(=O)c1ncc2ccccc2c1[O-] ZINC001158417981 805953596 /nfs/dbraw/zinc/95/35/96/805953596.db2.gz XGIFYPIFIWJEGA-UHFFFAOYSA-N -1 1 298.386 3.495 20 0 CGADMM [O-]c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)nn1 ZINC001252757721 806108516 /nfs/dbraw/zinc/10/85/16/806108516.db2.gz FROZXVFLEYRKOC-UHFFFAOYSA-N -1 1 274.667 3.113 20 0 CGADMM Cc1cc([O-])c(-c2nnc(C3CC3)o2)cc1Br ZINC001254126585 806346803 /nfs/dbraw/zinc/34/68/03/806346803.db2.gz TXHJETTZTKNNQT-UHFFFAOYSA-N -1 1 295.136 3.391 20 0 CGADMM [O-]c1ccc(-c2nnc(-c3cccc(F)c3)o2)c(F)c1 ZINC001254206512 806363909 /nfs/dbraw/zinc/36/39/09/806363909.db2.gz ZUVAXDQAADGVIZ-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM Cc1ccc(CNC(=O)c2ncccc2[O-])c2ccccc12 ZINC001161915507 806482685 /nfs/dbraw/zinc/48/26/85/806482685.db2.gz ACPPSUSBKMWSQQ-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM O=C(CC(C1CC1)C1CC1)Nc1cc(F)cc(F)c1[O-] ZINC001162293201 806549883 /nfs/dbraw/zinc/54/98/83/806549883.db2.gz ZYKVAARORNCCJV-UHFFFAOYSA-N -1 1 281.302 3.435 20 0 CGADMM CCc1ccc2nc(-c3cccs3)[n-]c(=O)c2c1 ZINC000057772052 798900044 /nfs/dbraw/zinc/90/00/44/798900044.db2.gz CEEPRQVYGJJFOU-UHFFFAOYSA-N -1 1 256.330 3.214 20 0 CGADMM Cc1ccc(CCNC(=O)c2ccc([O-])cc2F)c(C)c1 ZINC000162599552 799081640 /nfs/dbraw/zinc/08/16/40/799081640.db2.gz BWMAQJQDZOVEBL-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM Cc1cc(CNC(=O)c2ccc3ccccc3c2[O-])ccn1 ZINC000391369492 799478276 /nfs/dbraw/zinc/47/82/76/799478276.db2.gz SSSQHISIWURIOQ-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM C[C@@H](CCC1CC1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000398178062 799528530 /nfs/dbraw/zinc/52/85/30/799528530.db2.gz NBQBHTBCDRVUPA-VIFPVBQESA-N -1 1 267.756 3.354 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000405306137 799582391 /nfs/dbraw/zinc/58/23/91/799582391.db2.gz METKOEMYKUWXQK-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CO[C@H]1CC[C@H](C)N(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000687196000 799737602 /nfs/dbraw/zinc/73/76/02/799737602.db2.gz FJNHDOSYTHTYJB-JQWIXIFHSA-N -1 1 297.782 3.038 20 0 CGADMM CS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000707342291 799976968 /nfs/dbraw/zinc/97/69/68/799976968.db2.gz FVKJPCYQEKKSGB-GHMZBOCLSA-N -1 1 299.823 3.402 20 0 CGADMM Cc1oc(CN2CCc3ccsc3[C@@H]2C)cc1C(=O)[O-] ZINC000712340987 800084606 /nfs/dbraw/zinc/08/46/06/800084606.db2.gz KWNYLGGNFXERDM-VIFPVBQESA-N -1 1 291.372 3.467 20 0 CGADMM CC(C)Cc1nnc(-c2cc(Br)ccc2[O-])o1 ZINC001256412721 806889472 /nfs/dbraw/zinc/88/94/72/806889472.db2.gz ORADUSRYIDRWSG-UHFFFAOYSA-N -1 1 297.152 3.403 20 0 CGADMM C[C@H]1C[C@@H]1c1nnc(-c2ccc([O-])cc2Cl)o1 ZINC001256625791 806929755 /nfs/dbraw/zinc/92/97/55/806929755.db2.gz NOKFEYIXHFVSKL-RCOVLWMOSA-N -1 1 250.685 3.219 20 0 CGADMM CC(C)C(C)(C)SCC(=O)c1ccc([O-])cc1O ZINC001116774198 802409427 /nfs/dbraw/zinc/40/94/27/802409427.db2.gz ZEIMHGQITJLOHV-UHFFFAOYSA-N -1 1 268.378 3.448 20 0 CGADMM CCc1oc2ccccc2c1CC(=O)[N-]OC(C)(C)C ZINC001118910957 802617027 /nfs/dbraw/zinc/61/70/27/802617027.db2.gz SGRTUFBEWAMFBT-UHFFFAOYSA-N -1 1 275.348 3.384 20 0 CGADMM Cc1ccc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)cc1Cl ZINC001119065196 802631117 /nfs/dbraw/zinc/63/11/17/802631117.db2.gz FHNMLMDNFQXADD-TVQRCGJNSA-N -1 1 262.740 3.397 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3c(c2)NCCO3)cc1F ZINC001244095174 803182998 /nfs/dbraw/zinc/18/29/98/803182998.db2.gz BPZZGGOGWMZLFC-UHFFFAOYSA-N -1 1 263.243 3.142 20 0 CGADMM COC(=O)c1cccc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244096716 803184120 /nfs/dbraw/zinc/18/41/20/803184120.db2.gz LGTLXVZLCKRATJ-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3c(c2)[C@@H](O)CCO3)cc1F ZINC001244097724 803185144 /nfs/dbraw/zinc/18/51/44/803185144.db2.gz SRGNPRQESPNARM-ZDUSSCGKSA-N -1 1 278.254 3.153 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3cnncc3c2)cc1F ZINC001244097652 803185227 /nfs/dbraw/zinc/18/52/27/803185227.db2.gz XYYNUVGATIHSDA-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOc1cc(C)c(-c2cc(F)c([O-])c(F)c2)cn1 ZINC001244097419 803185425 /nfs/dbraw/zinc/18/54/25/803185425.db2.gz PLHVQZLMDKDTOF-UHFFFAOYSA-N -1 1 265.259 3.440 20 0 CGADMM Cc1c(-c2ccc3c(c2)CC(=O)[N-]C3=O)cccc1C1CC1 ZINC001244131923 803201986 /nfs/dbraw/zinc/20/19/86/803201986.db2.gz HIMABXADPKZIKO-UHFFFAOYSA-N -1 1 291.350 3.352 20 0 CGADMM CCSc1cccc(F)c1[N-]C(=O)c1nccnc1C ZINC001129501420 803236213 /nfs/dbraw/zinc/23/62/13/803236213.db2.gz WLHLAWWGKDMDTO-UHFFFAOYSA-N -1 1 291.351 3.288 20 0 CGADMM CCOc1ccc(C(=O)[O-])cc1-c1ccc2cncn2c1 ZINC001244419744 803360351 /nfs/dbraw/zinc/36/03/51/803360351.db2.gz HXNFEZXFBCJGKU-UHFFFAOYSA-N -1 1 282.299 3.098 20 0 CGADMM Cc1ccnnc1-c1cc(OC(F)(F)F)ccc1[O-] ZINC001244455429 803377219 /nfs/dbraw/zinc/37/72/19/803377219.db2.gz HMLONQBHSDOKCH-UHFFFAOYSA-N -1 1 270.210 3.056 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1cc(F)ccn1 ZINC001244464956 803382157 /nfs/dbraw/zinc/38/21/57/803382157.db2.gz YUJHWWSCWCQTFE-UHFFFAOYSA-N -1 1 273.185 3.492 20 0 CGADMM COc1ncnc(-c2cc(C)c([O-])c(Cl)c2)c1C ZINC001244531244 803421331 /nfs/dbraw/zinc/42/13/31/803421331.db2.gz HOFFTPHYASICLA-UHFFFAOYSA-N -1 1 264.712 3.128 20 0 CGADMM Cc1cc(-c2ccnc(N3CCCC3)n2)cc(Cl)c1[O-] ZINC001244536672 803423627 /nfs/dbraw/zinc/42/36/27/803423627.db2.gz LYZUFWVNVWWWEA-UHFFFAOYSA-N -1 1 289.766 3.411 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccc3nc[nH]c3n2)c1F ZINC001244537986 803424886 /nfs/dbraw/zinc/42/48/86/803424886.db2.gz ICSXRFUGFWWIIH-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccnc(N3CCCC3)n2)c1F ZINC001244537805 803425024 /nfs/dbraw/zinc/42/50/24/803425024.db2.gz FSDCIUVVXZYUGA-UHFFFAOYSA-N -1 1 293.729 3.242 20 0 CGADMM Cc1cc(-c2nccnc2OC(F)F)cc(Cl)c1[O-] ZINC001244538257 803425027 /nfs/dbraw/zinc/42/50/27/803425027.db2.gz LCMWTTVZKQRVTP-UHFFFAOYSA-N -1 1 286.665 3.412 20 0 CGADMM CCc1nccnc1-c1c(Cl)ccc([O-])c1F ZINC001244538034 803425230 /nfs/dbraw/zinc/42/52/30/803425230.db2.gz IPHIRMKSBLTGDK-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM CCc1cc(-c2c(Cl)ccc([O-])c2F)ncn1 ZINC001244540387 803428502 /nfs/dbraw/zinc/42/85/02/803428502.db2.gz NITFUXLQIQWSQD-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM NC(=O)Nc1ccccc1-c1c(Cl)ccc([O-])c1F ZINC001244541361 803429264 /nfs/dbraw/zinc/42/92/64/803429264.db2.gz ONTXIEOXSUZRPU-UHFFFAOYSA-N -1 1 280.686 3.342 20 0 CGADMM COC(=O)c1ccc(-c2cc(Cl)ccc2[O-])nc1C ZINC001245049064 803622057 /nfs/dbraw/zinc/62/20/57/803622057.db2.gz LBHIDLLLCLSRSD-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CCCC=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001136190315 803635523 /nfs/dbraw/zinc/63/55/23/803635523.db2.gz AKLRWFPXPSYXKR-SNAWJCMRSA-N -1 1 271.320 3.077 20 0 CGADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c([O-])c2)s1 ZINC001136410301 803642831 /nfs/dbraw/zinc/64/28/31/803642831.db2.gz TVNKUYCSZINEQF-SECBINFHSA-N -1 1 279.336 3.392 20 0 CGADMM C[C@@H](CN(C)C(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001136598727 803647424 /nfs/dbraw/zinc/64/74/24/803647424.db2.gz MVFXBPSKDCTDHX-LBPRGKRZSA-N -1 1 287.334 3.407 20 0 CGADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001136967046 803663124 /nfs/dbraw/zinc/66/31/24/803663124.db2.gz QXWRWNKNOSHEEG-NXEZZACHSA-N -1 1 253.317 3.086 20 0 CGADMM CC(C)(C)c1nnc([N-]c2ccc(O)c(F)c2F)o1 ZINC001211998035 814965062 /nfs/dbraw/zinc/96/50/62/814965062.db2.gz XWWQOCQZCXKXLG-UHFFFAOYSA-N -1 1 269.251 3.095 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc(O)c(F)c1F ZINC001212007567 814965627 /nfs/dbraw/zinc/96/56/27/814965627.db2.gz NWJVULJBQBPHGH-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM CC(=O)c1cc(Nc2ccc([O-])c(F)c2F)ccc1O ZINC001212010958 814966459 /nfs/dbraw/zinc/96/64/59/814966459.db2.gz JVTQSYWQAQGKPX-UHFFFAOYSA-N -1 1 279.242 3.322 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)[C@]12C[C@H]1CCC2 ZINC001138245381 803878944 /nfs/dbraw/zinc/87/89/44/803878944.db2.gz VVAUBJIOTGWCGC-AMIZOPFISA-N -1 1 296.164 3.283 20 0 CGADMM CC(C)Oc1cncc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245830475 803985197 /nfs/dbraw/zinc/98/51/97/803985197.db2.gz PAPHYYRBPKYNPW-UHFFFAOYSA-N -1 1 282.702 3.429 20 0 CGADMM Cc1cc(-c2c(F)ccc([O-])c2Cl)ccc1C(N)=O ZINC001245831242 803986523 /nfs/dbraw/zinc/98/65/23/803986523.db2.gz BCGFYLJXWCZQEO-UHFFFAOYSA-N -1 1 279.698 3.259 20 0 CGADMM O=c1ccc(-c2c(F)ccc([O-])c2Cl)cn1CC1CC1 ZINC001245835606 803988187 /nfs/dbraw/zinc/98/81/87/803988187.db2.gz UMURFFROKYCMKF-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(OC(F)(F)F)cc2)[n-]1 ZINC001245921452 804049017 /nfs/dbraw/zinc/04/90/17/804049017.db2.gz UJBKSAZRSBNRSP-UHFFFAOYSA-N -1 1 286.253 3.429 20 0 CGADMM CCCc1cc(=O)n(-c2ccc3cccnc3c2)[n-]1 ZINC001245924172 804052379 /nfs/dbraw/zinc/05/23/79/804052379.db2.gz JURJDWCWCCDCMD-UHFFFAOYSA-N -1 1 253.305 3.079 20 0 CGADMM CSc1ccc(-n2[n-]c(CC(C)C)cc2=O)cc1 ZINC001245932828 804063468 /nfs/dbraw/zinc/06/34/68/804063468.db2.gz OQDJGFYLDJAUMB-UHFFFAOYSA-N -1 1 262.378 3.498 20 0 CGADMM O=C([O-])c1cccc(-n2[nH]c(C3CCCCC3)cc2=O)c1 ZINC001245937421 804066935 /nfs/dbraw/zinc/06/69/35/804066935.db2.gz WSSLOMMVPYZCRN-UHFFFAOYSA-N -1 1 286.331 3.324 20 0 CGADMM CSc1ccc(-n2[n-]c(CC3CC3)cc2=O)cc1 ZINC001245953606 804087800 /nfs/dbraw/zinc/08/78/00/804087800.db2.gz RYHHTFGMBPKRSY-UHFFFAOYSA-N -1 1 260.362 3.252 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1cccc(OC(F)(F)F)c1 ZINC001245952587 804088093 /nfs/dbraw/zinc/08/80/93/804088093.db2.gz CWCFSFGJUVHADO-UHFFFAOYSA-N -1 1 298.264 3.429 20 0 CGADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(C)(C)C ZINC001212356854 815010407 /nfs/dbraw/zinc/01/04/07/815010407.db2.gz NMUQIVIXEJIWSR-MRVPVSSYSA-N -1 1 293.791 3.192 20 0 CGADMM O=C(CCCc1cccnc1)Nc1ccc([O-])c(F)c1F ZINC001140657854 804485936 /nfs/dbraw/zinc/48/59/36/804485936.db2.gz ZETRGTJBWCSMJC-UHFFFAOYSA-N -1 1 292.285 3.027 20 0 CGADMM CN(Cc1ccc(Cl)nc1)Cc1ccc([O-])c(F)c1F ZINC001140893290 804545315 /nfs/dbraw/zinc/54/53/15/804545315.db2.gz MVFCURLFUCLJCC-UHFFFAOYSA-N -1 1 298.720 3.351 20 0 CGADMM [O-]c1ccc(CN2CC[C@@H](C(F)(F)F)C2)c(F)c1F ZINC001140894401 804545324 /nfs/dbraw/zinc/54/53/24/804545324.db2.gz WWGPNIFNEKEWPL-MRVPVSSYSA-N -1 1 281.224 3.055 20 0 CGADMM [O-]c1c(F)cc(CN2CC3(C2)CCCC3)cc1F ZINC001140988334 804564772 /nfs/dbraw/zinc/56/47/72/804564772.db2.gz WZRZAKKWDKNDPE-UHFFFAOYSA-N -1 1 253.292 3.046 20 0 CGADMM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001141926514 804679129 /nfs/dbraw/zinc/67/91/29/804679129.db2.gz IBSYWBFXOWXCDG-DZGCQCFKSA-N -1 1 285.343 3.025 20 0 CGADMM Cc1ccc(-c2noc(-c3ncccc3[O-])n2)c(C)c1 ZINC001212480976 815035848 /nfs/dbraw/zinc/03/58/48/815035848.db2.gz SJXSOIZQTMTINA-UHFFFAOYSA-N -1 1 267.288 3.121 20 0 CGADMM CCc1cc(-c2noc(-c3ncccc3[O-])n2)ccc1F ZINC001212480653 815034536 /nfs/dbraw/zinc/03/45/36/815034536.db2.gz BGWDTIGLKXVKME-UHFFFAOYSA-N -1 1 285.278 3.206 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cc(F)cc(F)c1O ZINC001212491092 815040155 /nfs/dbraw/zinc/04/01/55/815040155.db2.gz HULDDNHGZWZOHH-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM C[C@]1(CF)CC(F)(F)CN1Cc1c(F)cc([O-])cc1F ZINC001144544631 805002175 /nfs/dbraw/zinc/00/21/75/805002175.db2.gz AZVVAWZKMXUSAU-GFCCVEGCSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC001144553856 805005250 /nfs/dbraw/zinc/00/52/50/805005250.db2.gz SRYSCGRJEKFBJD-QMMMGPOBSA-N -1 1 295.251 3.445 20 0 CGADMM COc1ccc2c(c1)CN(Cc1cc(F)c([O-])cc1F)C2 ZINC001144665942 805029385 /nfs/dbraw/zinc/02/93/85/805029385.db2.gz DGGPFJDXQKYNLA-UHFFFAOYSA-N -1 1 291.297 3.195 20 0 CGADMM C[C@@H]1CCCC[C@H]1CCNC(=O)c1c([O-])cccc1F ZINC001146709998 805083001 /nfs/dbraw/zinc/08/30/01/805083001.db2.gz LNWKNXIVPQYVEU-NEPJUHHUSA-N -1 1 279.355 3.478 20 0 CGADMM O=C(NCC1=CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148050165 805161120 /nfs/dbraw/zinc/16/11/20/805161120.db2.gz RQVOBGSSKZHQNR-UHFFFAOYSA-N -1 1 285.265 3.251 20 0 CGADMM O=C(NC[C@H]1CCCC12CC2)c1ncc2ccccc2c1[O-] ZINC001150606415 805261560 /nfs/dbraw/zinc/26/15/60/805261560.db2.gz CHKNJAKKTBDTEX-CYBMUJFWSA-N -1 1 296.370 3.251 20 0 CGADMM Cc1ccc(C(=O)Cc2c(F)cc([O-])cc2F)cc1 ZINC001249908745 805299198 /nfs/dbraw/zinc/29/91/98/805299198.db2.gz RZFOTQTVSMHJMS-UHFFFAOYSA-N -1 1 262.255 3.404 20 0 CGADMM O=C(/C=C/c1ccsc1)Nc1cccc(F)c1[O-] ZINC001151780066 805311842 /nfs/dbraw/zinc/31/18/42/805311842.db2.gz SVEKAWRFRGMMHZ-SNAWJCMRSA-N -1 1 263.293 3.245 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc(O)c2F)cc1F ZINC001212552581 815065810 /nfs/dbraw/zinc/06/58/10/815065810.db2.gz YTZZWYRABKRYOE-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM Cc1noc(C)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249958975 805326511 /nfs/dbraw/zinc/32/65/11/805326511.db2.gz RQRZSVLLNWQTDZ-UHFFFAOYSA-N -1 1 258.199 3.158 20 0 CGADMM O=c1cc(Cl)[nH]cc1Nc1cc([O-])c(F)c(F)c1F ZINC001249960335 805327818 /nfs/dbraw/zinc/32/78/18/805327818.db2.gz BWZCGMYIFROWIZ-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM CC(C)Cn1cnc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249961209 805328568 /nfs/dbraw/zinc/32/85/68/805328568.db2.gz KVLQQSRIVWPKIN-UHFFFAOYSA-N -1 1 285.269 3.406 20 0 CGADMM [O-]c1cc(Nc2cc3ccccn3n2)c(F)c(F)c1F ZINC001249961046 805328743 /nfs/dbraw/zinc/32/87/43/805328743.db2.gz CLQAIUZLMBKENU-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM [O-]c1cc(Nc2cccc(O)c2)c(F)c(F)c1F ZINC001249963427 805330011 /nfs/dbraw/zinc/33/00/11/805330011.db2.gz VZSHKGPFVMXTJY-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM COC(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249963246 805331408 /nfs/dbraw/zinc/33/14/08/805331408.db2.gz UBPZOVKGTKGYGU-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM COC(=O)c1cccc(Nc2cc(Cl)c([O-])cc2F)n1 ZINC001250020282 805371818 /nfs/dbraw/zinc/37/18/18/805371818.db2.gz ISXCLBHLGXZUEP-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM Cc1c2cn(-c3cc(Cl)c([O-])cc3F)nc2ccc1N ZINC001250022340 805374154 /nfs/dbraw/zinc/37/41/54/805374154.db2.gz JCLLIUSNLAEQBR-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM COc1ccc(CO)c(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250025896 805376524 /nfs/dbraw/zinc/37/65/24/805376524.db2.gz HKOYCBBQGFAAHR-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM Cc1ccc(O)c(NC(=O)c2c([O-])ccc3ccccc32)n1 ZINC001153499114 805400326 /nfs/dbraw/zinc/40/03/26/805400326.db2.gz ZQQIHZMYRXQMKB-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM CCOc1ccc(Cl)c([N-]c2nonc2C)c1 ZINC001212574619 815074791 /nfs/dbraw/zinc/07/47/91/815074791.db2.gz OOUVBOOTCRNATK-UHFFFAOYSA-N -1 1 253.689 3.174 20 0 CGADMM [O-]c1cc(C[C@@H]2COc3ccccc3O2)c(F)c(F)c1F ZINC001250176940 805463926 /nfs/dbraw/zinc/46/39/26/805463926.db2.gz CMSYVDZKFOSCQO-SECBINFHSA-N -1 1 296.244 3.192 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N(C)C3CC(C)C3)cc2c1 ZINC001154749615 805483619 /nfs/dbraw/zinc/48/36/19/805483619.db2.gz PVOBZCCIQWSUTP-UHFFFAOYSA-N -1 1 299.370 3.425 20 0 CGADMM [O-]c1ccc(F)c(Nc2cc(F)ccn2)c1Cl ZINC001250228335 805504334 /nfs/dbraw/zinc/50/43/34/805504334.db2.gz XIUCPPLMEZLUBN-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM CC(=O)Nc1cncc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250234304 805509784 /nfs/dbraw/zinc/50/97/84/805509784.db2.gz PNCIBWVUCVZPLW-UHFFFAOYSA-N -1 1 295.701 3.282 20 0 CGADMM NC(=O)Nc1cccc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250236202 805511687 /nfs/dbraw/zinc/51/16/87/805511687.db2.gz LICHCAPTOTZRHY-UHFFFAOYSA-N -1 1 295.701 3.419 20 0 CGADMM O=C(Cc1cc(F)c([O-])cc1F)c1ccc(F)cc1F ZINC001250250957 805520879 /nfs/dbraw/zinc/52/08/79/805520879.db2.gz ZWDRTTOWMMQJAM-UHFFFAOYSA-N -1 1 284.208 3.374 20 0 CGADMM COc1cc(Cc2cc(F)c([O-])c(F)c2)cc(OC)c1 ZINC001250298099 805550345 /nfs/dbraw/zinc/55/03/45/805550345.db2.gz BTZQDJBIBKYWHP-UHFFFAOYSA-N -1 1 280.270 3.278 20 0 CGADMM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3ncccc3[O-])o2)cc1 ZINC001257209803 807060897 /nfs/dbraw/zinc/06/08/97/807060897.db2.gz PMUHOUGVTHXNRE-OLZOCXBDSA-N -1 1 293.326 3.417 20 0 CGADMM O=C(Nc1cncc2c1CCCC2)c1cc(F)ccc1[O-] ZINC001166610825 807065193 /nfs/dbraw/zinc/06/51/93/807065193.db2.gz RORYBRDUPULTDX-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM COCCOc1ccccc1Nc1ccnc(Cl)c1[O-] ZINC001212636899 815089681 /nfs/dbraw/zinc/08/96/81/815089681.db2.gz LWOZSDUOEWWCGI-UHFFFAOYSA-N -1 1 294.738 3.209 20 0 CGADMM Cc1cc(F)c(-c2noc(-c3ccncc3[O-])n2)cc1F ZINC001212721366 815113891 /nfs/dbraw/zinc/11/38/91/815113891.db2.gz MIALYSLOJHWVEM-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM CC(C)c1cccc([N-]S(=O)(=O)C2CCCCC2)n1 ZINC001259809374 807688254 /nfs/dbraw/zinc/68/82/54/807688254.db2.gz YXVSPIDUWCCBKC-UHFFFAOYSA-N -1 1 282.409 3.279 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ncccc2Cl)c1C ZINC001260992418 807708963 /nfs/dbraw/zinc/70/89/63/807708963.db2.gz VKPMDMMVIKICED-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM c1n[n-]nc1-c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC001212799025 815141632 /nfs/dbraw/zinc/14/16/32/815141632.db2.gz FPROIQXYTMMUFZ-UHFFFAOYSA-N -1 1 289.298 3.189 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1(CF)CCC1 ZINC001262342933 807849059 /nfs/dbraw/zinc/84/90/59/807849059.db2.gz GHLRYAJFZABNHT-UHFFFAOYSA-N -1 1 275.682 3.263 20 0 CGADMM CCCCCC[C@H](CCCC)[NH2+]CCP(=O)([O-])[O-] ZINC001172518033 808369725 /nfs/dbraw/zinc/36/97/25/808369725.db2.gz WEZBWJCLWKYWAC-ZDUSSCGKSA-N -1 1 279.361 3.283 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc3[nH]cnc32)cc1F ZINC001213033636 815206837 /nfs/dbraw/zinc/20/68/37/815206837.db2.gz QEMOTOZWRCNAPT-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C)cc2)c1 ZINC001173801201 808676752 /nfs/dbraw/zinc/67/67/52/808676752.db2.gz WRPQYISLKAURQA-UHFFFAOYSA-N -1 1 291.372 3.238 20 0 CGADMM CSc1nc(Nc2ccc(-c3ncc[nH]3)cc2)cc(=O)[n-]1 ZINC001213086580 815230266 /nfs/dbraw/zinc/23/02/66/815230266.db2.gz SQMKHVCHSLBHEP-UHFFFAOYSA-N -1 1 299.359 3.038 20 0 CGADMM CC(=O)c1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001173899317 808751715 /nfs/dbraw/zinc/75/17/15/808751715.db2.gz HFQTZVPTXXDZFW-UHFFFAOYSA-N -1 1 262.696 3.387 20 0 CGADMM COCc1ccccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001174103095 808866988 /nfs/dbraw/zinc/86/69/88/808866988.db2.gz DSJUXAXQBPYPPV-UHFFFAOYSA-N -1 1 261.325 3.257 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cccc2cnccc21 ZINC001174135945 808883988 /nfs/dbraw/zinc/88/39/88/808883988.db2.gz SVVJCKGQVLHBEZ-UHFFFAOYSA-N -1 1 299.315 3.161 20 0 CGADMM Cn1ncc2ccc(Nc3cc([O-])c(F)c(F)c3)cc21 ZINC001174340200 808961140 /nfs/dbraw/zinc/96/11/40/808961140.db2.gz BVQFCTKLZQBNIT-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM NC(=O)c1cnoc1[N-]c1cccc2c3ccccc3oc21 ZINC001174854915 809178668 /nfs/dbraw/zinc/17/86/68/809178668.db2.gz BUEHDOBGFKBEDC-UHFFFAOYSA-N -1 1 293.282 3.417 20 0 CGADMM CCOc1cc(C)c(-n2[n-]c(=O)c3ccc(N)cc32)c(C)c1 ZINC001175173043 809298338 /nfs/dbraw/zinc/29/83/38/809298338.db2.gz BXBOKEZXIHLFEX-UHFFFAOYSA-N -1 1 297.358 3.329 20 0 CGADMM CC(=O)c1ccc(Nc2c(F)ccc([O-])c2F)cc1O ZINC001175267908 809333219 /nfs/dbraw/zinc/33/32/19/809333219.db2.gz CDHQCXQPEWGWLN-UHFFFAOYSA-N -1 1 279.242 3.322 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cnc2cccnc2c1 ZINC001175360161 809378506 /nfs/dbraw/zinc/37/85/06/809378506.db2.gz WSVWVHCLLZVXRY-UHFFFAOYSA-N -1 1 272.695 3.127 20 0 CGADMM Cn1ncc2cc(Nc3cc(F)c([O-])cc3F)ccc21 ZINC001175421573 809399508 /nfs/dbraw/zinc/39/95/08/809399508.db2.gz CNKIZSMNPFKXBA-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC001290291423 809405710 /nfs/dbraw/zinc/40/57/10/809405710.db2.gz UQUSNWWVZULSDK-CYBMUJFWSA-N -1 1 297.354 3.346 20 0 CGADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC001297671659 809521336 /nfs/dbraw/zinc/52/13/36/809521336.db2.gz USUPNTPMESNRQE-MSRIBSCDSA-N -1 1 265.328 3.086 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cnn(C2CCC2)c1 ZINC001175759980 809535143 /nfs/dbraw/zinc/53/51/43/809535143.db2.gz HHYSQFPQHXAHIG-UHFFFAOYSA-N -1 1 264.716 3.106 20 0 CGADMM O=C(/C=C\c1ccccc1)Nc1cc([O-])c(F)cc1F ZINC001298974306 809542784 /nfs/dbraw/zinc/54/27/84/809542784.db2.gz PYNABJXUWQKVQE-SREVYHEPSA-N -1 1 275.254 3.322 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H](F)c1ccccc1 ZINC001302484388 809595705 /nfs/dbraw/zinc/59/57/05/809595705.db2.gz BXNIOALSHFILFO-GFCCVEGCSA-N -1 1 263.243 3.181 20 0 CGADMM [O-]c1c(Cl)c(Cl)ccc1NC1=CCOCC1 ZINC001176148304 809636122 /nfs/dbraw/zinc/63/61/22/809636122.db2.gz ZQTPQOGDTPDMAY-UHFFFAOYSA-N -1 1 260.120 3.415 20 0 CGADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)cc(O)c1C ZINC001176269410 809658284 /nfs/dbraw/zinc/65/82/84/809658284.db2.gz ZKLJCUBTBHPJOP-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM Nc1ccnc(Cl)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663243 809737065 /nfs/dbraw/zinc/73/70/65/809737065.db2.gz DGWBELYWICWNAV-UHFFFAOYSA-N -1 1 289.644 3.184 20 0 CGADMM Cc1cncc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176664339 809738931 /nfs/dbraw/zinc/73/89/31/809738931.db2.gz UXQRJCNBUMIPJR-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM Cc1cccc2ncc(Nc3ccc(C(=O)[O-])cc3)n21 ZINC001176711241 809747027 /nfs/dbraw/zinc/74/70/27/809747027.db2.gz RTGJJFRHIXEYFL-UHFFFAOYSA-N -1 1 267.288 3.085 20 0 CGADMM Nc1cc(Cl)ccc1Nc1ccnc(Cl)c1[O-] ZINC001213650558 815317925 /nfs/dbraw/zinc/31/79/25/815317925.db2.gz HLCIJYZCBSOLKC-UHFFFAOYSA-N -1 1 270.119 3.420 20 0 CGADMM CCC[C@@H](C(=O)NCCc1c(F)cc([O-])cc1F)C(C)C ZINC001178785358 809887481 /nfs/dbraw/zinc/88/74/81/809887481.db2.gz SGKOQRAPDOIGIS-GFCCVEGCSA-N -1 1 299.361 3.401 20 0 CGADMM CC[C@@H]1c2ccccc2CN1C(=O)C(=O)c1ccc([O-])cc1 ZINC001180140181 809977634 /nfs/dbraw/zinc/97/76/34/809977634.db2.gz PKXNHUOCAQSSAF-MRXNPFEDSA-N -1 1 295.338 3.068 20 0 CGADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])[C@H]1C[C@@]1(F)Cl ZINC001181669720 810065478 /nfs/dbraw/zinc/06/54/78/810065478.db2.gz VECGYTSDCDTBDD-LDWIPMOCSA-N -1 1 297.635 3.274 20 0 CGADMM CSC[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001183213311 810140367 /nfs/dbraw/zinc/14/03/67/810140367.db2.gz COOPJIAHFOXHMV-ZETCQYMHSA-N -1 1 293.310 3.349 20 0 CGADMM CC[C@H](CC1CCCCC1)C(=O)Nc1c[n-][nH]c1=O ZINC001183562179 810153065 /nfs/dbraw/zinc/15/30/65/810153065.db2.gz IPJYWGKHMPFVKI-LLVKDONJSA-N -1 1 265.357 3.050 20 0 CGADMM C[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c(F)c2)CC(C)(C)C1 ZINC001186234623 810323539 /nfs/dbraw/zinc/32/35/39/810323539.db2.gz WRZOERRGCNHGGC-ZYHUDNBSSA-N -1 1 279.355 3.476 20 0 CGADMM O=C(NCC1CC1)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001186612900 810349925 /nfs/dbraw/zinc/34/99/25/810349925.db2.gz CIZLJJCPIDBDLC-UHFFFAOYSA-N -1 1 275.135 3.231 20 0 CGADMM COC(=O)c1c[n-]c(SCCc2ccc(Cl)cc2)n1 ZINC001189165947 810546085 /nfs/dbraw/zinc/54/60/85/810546085.db2.gz HCZLKJGQEXJPEY-UHFFFAOYSA-N -1 1 296.779 3.185 20 0 CGADMM Cc1ccc(O)c([N-]c2nnc(-c3ccco3)o2)c1 ZINC001214218682 815385770 /nfs/dbraw/zinc/38/57/70/815385770.db2.gz IMXFXOHGQFZJCW-UHFFFAOYSA-N -1 1 257.249 3.087 20 0 CGADMM Cc1cccc(CNC(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001191002337 810662998 /nfs/dbraw/zinc/66/29/98/810662998.db2.gz YAUMDQHZQCXWRP-UHFFFAOYSA-N -1 1 292.285 3.301 20 0 CGADMM O=C(Nc1ccccc1[S-])c1c(O)ccc(F)c1F ZINC001192765233 810819220 /nfs/dbraw/zinc/81/92/20/810819220.db2.gz VRUPLSIGZCPSLB-UHFFFAOYSA-N -1 1 281.283 3.211 20 0 CGADMM C[C@@H](OCC[P@](=O)([O-])O)c1c(Cl)cccc1Cl ZINC001224602306 816831048 /nfs/dbraw/zinc/83/10/48/816831048.db2.gz PXUGJOZOMNOHLV-SSDOTTSWSA-N -1 1 299.090 3.249 20 0 CGADMM [O-]c1c(F)cc(Nc2ccnn2CCF)cc1Cl ZINC001214484229 815416210 /nfs/dbraw/zinc/41/62/10/815416210.db2.gz GIOQZULCTPNBQG-UHFFFAOYSA-N -1 1 273.670 3.094 20 0 CGADMM Cn1cnc([N-]c2c(F)ccc(Cl)c2Cl)n1 ZINC001214503675 815417880 /nfs/dbraw/zinc/41/78/80/815417880.db2.gz SPVUOTPKRZPBTK-UHFFFAOYSA-N -1 1 261.087 3.005 20 0 CGADMM CC[C@H](C)COC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001194766851 811129488 /nfs/dbraw/zinc/12/94/88/811129488.db2.gz STFGXWDELMMKND-VIFPVBQESA-N -1 1 291.303 3.093 20 0 CGADMM C=Cc1ccc(NC(=O)c2c[n-]c(C(F)(F)F)n2)cc1 ZINC001194782787 811132480 /nfs/dbraw/zinc/13/24/80/811132480.db2.gz WICJAIVJOSUUBN-UHFFFAOYSA-N -1 1 281.237 3.324 20 0 CGADMM COc1ccccc1OC(=O)Nc1ccc([O-])c(F)c1F ZINC001195262813 811234464 /nfs/dbraw/zinc/23/44/64/811234464.db2.gz ZKZFIEVFXIIVME-UHFFFAOYSA-N -1 1 295.241 3.290 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(Cl)c(F)c1F ZINC001195487348 811259948 /nfs/dbraw/zinc/25/99/48/811259948.db2.gz UEUWCZGWPIAGHY-UHFFFAOYSA-N -1 1 294.710 3.061 20 0 CGADMM CC(C)(C)c1nc([N-]c2cccc(Cl)c2CO)no1 ZINC001214640852 815436333 /nfs/dbraw/zinc/43/63/33/815436333.db2.gz DDSLWMPCNVALIT-UHFFFAOYSA-N -1 1 281.743 3.256 20 0 CGADMM COc1ccccc1NC(=S)Nc1cccc(F)c1[O-] ZINC001196251889 811327232 /nfs/dbraw/zinc/32/72/32/811327232.db2.gz MGZPDVOFGDBCNU-UHFFFAOYSA-N -1 1 292.335 3.349 20 0 CGADMM CC(=O)c1ccc(F)c([N-]c2noc3cccnc32)c1F ZINC001214753661 815447384 /nfs/dbraw/zinc/44/73/84/815447384.db2.gz CQGMCHYAQAVFLO-UHFFFAOYSA-N -1 1 289.241 3.447 20 0 CGADMM C=CS(=O)(=O)[N-]c1cc(-c2ccccc2)cc(Cl)n1 ZINC001198579194 811520142 /nfs/dbraw/zinc/52/01/42/811520142.db2.gz MDWJAHJELVJEEA-UHFFFAOYSA-N -1 1 294.763 3.287 20 0 CGADMM CC[C@@H](C)CNC(=S)Nc1cc(F)c([O-])cc1F ZINC001200262951 811658222 /nfs/dbraw/zinc/65/82/22/811658222.db2.gz KRUAFTBRJZQUKH-SSDOTTSWSA-N -1 1 274.336 3.003 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(CO)c(F)c2F)cc1F ZINC001215041377 815478909 /nfs/dbraw/zinc/47/89/09/815478909.db2.gz SJGZDFOBFNUNON-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM O=C(Nc1cc(F)c(F)cc1[O-])Nc1ccccc1F ZINC001202002619 811994295 /nfs/dbraw/zinc/99/42/95/811994295.db2.gz ZSCKPGNUSOYLJR-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM COc1cc(-c2noc(-c3ccc(O)cc3[O-])n2)ccc1C ZINC001215300370 815505077 /nfs/dbraw/zinc/50/50/77/815505077.db2.gz WTKQGAMDNMMOOY-UHFFFAOYSA-N -1 1 298.298 3.132 20 0 CGADMM CC(=O)c1ccccc1-c1noc(-c2ccc(O)cc2[O-])n1 ZINC001215300494 815505377 /nfs/dbraw/zinc/50/53/77/815505377.db2.gz ZYAQPCZOTYGBBL-UHFFFAOYSA-N -1 1 296.282 3.017 20 0 CGADMM CC(C)(O)C=CNc1cc(Cl)cc(Cl)c1[O-] ZINC001203219511 812269929 /nfs/dbraw/zinc/26/99/29/812269929.db2.gz CGGLUULBLXLVAC-ONEGZZNKSA-N -1 1 262.136 3.396 20 0 CGADMM Cc1nsc([N-]c2cc(Cl)cnc2OC(C)C)n1 ZINC001203309755 812307144 /nfs/dbraw/zinc/30/71/44/812307144.db2.gz FMBJXCXPIFUJRP-UHFFFAOYSA-N -1 1 284.772 3.426 20 0 CGADMM Cc1ccc(Nc2ccc(F)c(F)c2[O-])c(C)n1 ZINC001203376058 812331853 /nfs/dbraw/zinc/33/18/53/812331853.db2.gz IPXIVEOIETUZQA-UHFFFAOYSA-N -1 1 250.248 3.426 20 0 CGADMM CC(C)c1nnc([N-]c2cn(C)c3ccccc23)o1 ZINC001203414667 812349181 /nfs/dbraw/zinc/34/91/81/812349181.db2.gz NOXWJGFKVHQXST-UHFFFAOYSA-N -1 1 256.309 3.428 20 0 CGADMM O=C1CCc2c(Nc3cc(F)c([O-])cc3F)cccc2N1 ZINC001215575756 815538974 /nfs/dbraw/zinc/53/89/74/815538974.db2.gz FLQNLNVHVOPWEI-UHFFFAOYSA-N -1 1 290.269 3.299 20 0 CGADMM C[C@@H](O)c1ccccc1Nc1cc(F)c([O-])cc1F ZINC001215576182 815540052 /nfs/dbraw/zinc/54/00/52/815540052.db2.gz MYEXPQTZUYNKOJ-MRVPVSSYSA-N -1 1 265.259 3.467 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cccc(Cl)c3)no2)nn1 ZINC001205298982 812939498 /nfs/dbraw/zinc/93/94/98/812939498.db2.gz HNUPRXGYHWYBCA-UHFFFAOYSA-N -1 1 274.667 3.113 20 0 CGADMM C=Cc1cccc([N-]S(=O)(=O)c2cc(N)ccc2C)c1 ZINC001209918824 814199359 /nfs/dbraw/zinc/19/93/59/814199359.db2.gz AJDLKUSTRQLTPQ-UHFFFAOYSA-N -1 1 288.372 3.021 20 0 CGADMM Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc2nccn2c1 ZINC001210005639 814238041 /nfs/dbraw/zinc/23/80/41/814238041.db2.gz MWQAVUVPYSVRQI-UHFFFAOYSA-N -1 1 285.278 3.224 20 0 CGADMM Cc1cc(C)nc(Nc2cccc(CC(=O)[O-])c2)c1 ZINC001210069970 814272670 /nfs/dbraw/zinc/27/26/70/814272670.db2.gz RTFLVWGWPVBIQS-UHFFFAOYSA-N -1 1 256.305 3.069 20 0 CGADMM Cc1ccc(CO)cc1Nc1cc(F)c([O-])cc1F ZINC001210680949 814583927 /nfs/dbraw/zinc/58/39/27/814583927.db2.gz GJDOCLOFKOMPOY-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM CC(C)(C)c1nsc([N-]c2cc(O)ccc2F)n1 ZINC001210799254 814632354 /nfs/dbraw/zinc/63/23/54/814632354.db2.gz UXAZDJNRKNCRNW-UHFFFAOYSA-N -1 1 267.329 3.424 20 0 CGADMM CSc1nc(Nc2ccccc2OC2CC2)cc(=O)[n-]1 ZINC001210834793 814645766 /nfs/dbraw/zinc/64/57/66/814645766.db2.gz IWEXBNAXBKZERY-UHFFFAOYSA-N -1 1 289.360 3.189 20 0 CGADMM Cc1cc(-c2noc(-c3cc(F)ccc3[O-])n2)cnc1C ZINC001215769795 815584670 /nfs/dbraw/zinc/58/46/70/815584670.db2.gz SGXQHQBVYQQCRS-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM CC(C)Oc1cncc(-c2cccc([O-])c2Cl)n1 ZINC001242800331 823136547 /nfs/dbraw/zinc/13/65/47/823136547.db2.gz GFJDUNWZASLPCD-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM CC(C)c1nc(-c2cccc([O-])c2Cl)nc(N(C)C)n1 ZINC001242801683 823137105 /nfs/dbraw/zinc/13/71/05/823137105.db2.gz VVTBGSUFGFZJMQ-UHFFFAOYSA-N -1 1 292.770 3.087 20 0 CGADMM [O-]c1cccc(-c2nnc3ccccc3n2)c1Cl ZINC001242801850 823137165 /nfs/dbraw/zinc/13/71/65/823137165.db2.gz ZKFPEHCPOMXJSK-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM O=c1ccc(-c2cccc([O-])c2Cl)cn1CC1CC1 ZINC001242802050 823137623 /nfs/dbraw/zinc/13/76/23/823137623.db2.gz OJYGIQRVYXOUEY-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM [O-]c1cccc(-c2cc(F)cc(-c3nn[nH]n3)c2)c1Cl ZINC001242803674 823138524 /nfs/dbraw/zinc/13/85/24/823138524.db2.gz XGEBRGXIPPHMNP-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3c2OCCO3)cc1F ZINC001211349851 814883577 /nfs/dbraw/zinc/88/35/77/814883577.db2.gz JDOOLHQKZFHVAA-UHFFFAOYSA-N -1 1 264.227 3.109 20 0 CGADMM Cc1cnc(F)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001211503521 814898353 /nfs/dbraw/zinc/89/83/53/814898353.db2.gz GBZYORVGJXVPCT-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM CC(=O)c1ccc([O-])cc1OC[C@H](C)Oc1ccccc1 ZINC001225619193 817113477 /nfs/dbraw/zinc/11/34/77/817113477.db2.gz NGNMCYHJUZZAFN-LBPRGKRZSA-N -1 1 286.327 3.441 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H]1Cc2ccncc2[C@H]1C ZINC001225619222 817113486 /nfs/dbraw/zinc/11/34/86/817113486.db2.gz OSXLVDJIGPMRDZ-HWPZZCPQSA-N -1 1 283.327 3.097 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H]1CCc2ccc(C)cc21 ZINC001226241957 817308220 /nfs/dbraw/zinc/30/82/20/817308220.db2.gz DZLPVCMAQQYYST-GFCCVEGCSA-N -1 1 288.372 3.149 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H]1CCC=CCCC1 ZINC001226241911 817308422 /nfs/dbraw/zinc/30/84/22/817308422.db2.gz DIBFLHOIBCPYLJ-JTQLQIEISA-N -1 1 266.366 3.042 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H](C)C1CCCC1 ZINC001227171561 817580138 /nfs/dbraw/zinc/58/01/38/817580138.db2.gz FBWPSMZYEXZLQC-NSHDSACASA-N -1 1 278.348 3.179 20 0 CGADMM Cc1ccc2nc(=O)[nH]c(O[C@H](C)C3=CC=C[CH]3)c2c1 ZINC001227351211 817630486 /nfs/dbraw/zinc/63/04/86/817630486.db2.gz PLFNZPCKUZFVAH-LLVKDONJSA-N -1 1 267.308 3.112 20 0 CGADMM CSc1nc(O[C@H]2CCc3cccc(C)c32)cc(=O)[n-]1 ZINC001228090878 817808939 /nfs/dbraw/zinc/80/89/39/817808939.db2.gz PPALPIYGDJWMCJ-NSHDSACASA-N -1 1 288.372 3.279 20 0 CGADMM CSc1nc(O[C@H](C)c2ccc(C)cc2)cc(=O)[n-]1 ZINC001228095274 817811981 /nfs/dbraw/zinc/81/19/81/817811981.db2.gz QNSRPXFPJBILDX-SNVBAGLBSA-N -1 1 276.361 3.353 20 0 CGADMM Cc1cc(-c2cc3nc[nH]c3cc2F)ccc1C(=O)[O-] ZINC001243218024 823297645 /nfs/dbraw/zinc/29/76/45/823297645.db2.gz PUIUFLRSRNLPLL-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)Cc1ccco1 ZINC001228553939 817937235 /nfs/dbraw/zinc/93/72/35/817937235.db2.gz FKCJKZUXRKWEBC-SNVBAGLBSA-N -1 1 290.315 3.294 20 0 CGADMM CC(C)(C)C1CCC(Oc2cnnc(=S)[n-]2)CC1 ZINC001228641547 817961343 /nfs/dbraw/zinc/96/13/43/817961343.db2.gz FVJVHNVCCFXMBG-UHFFFAOYSA-N -1 1 267.398 3.144 20 0 CGADMM S=c1nc2ccccc2c(O[C@H]2C=CCCC2)[n-]1 ZINC001228765057 818003643 /nfs/dbraw/zinc/00/36/43/818003643.db2.gz LTJDDDJQSMQPAH-JTQLQIEISA-N -1 1 258.346 3.406 20 0 CGADMM C[C@H](Oc1cccnc1-c1ncccc1[O-])c1ccccn1 ZINC001231199610 818055720 /nfs/dbraw/zinc/05/57/20/818055720.db2.gz FRTZJJKDDUZXNI-LBPRGKRZSA-N -1 1 293.326 3.384 20 0 CGADMM CN(CCF)Cc1ccccc1-c1ccccc1C(=O)[O-] ZINC001231680449 818157183 /nfs/dbraw/zinc/15/71/83/818157183.db2.gz PTZPYVUXQFPNRM-UHFFFAOYSA-N -1 1 287.334 3.453 20 0 CGADMM C[C@@]1(F)CCN(Cc2ccc(Cl)c([O-])c2)C[C@H]1F ZINC001231733431 818161203 /nfs/dbraw/zinc/16/12/03/818161203.db2.gz UCDFDNGCMOTGGR-CHWSQXEVSA-N -1 1 275.726 3.318 20 0 CGADMM [O-]c1cc(CN2CCOc3ccccc3C2)ccc1Cl ZINC001231732688 818161514 /nfs/dbraw/zinc/16/15/14/818161514.db2.gz AUGOXIUUDFOLNM-UHFFFAOYSA-N -1 1 289.762 3.440 20 0 CGADMM CN(Cc1ccc(Cl)c([O-])c1Cl)CC1(C)COC1 ZINC001232631589 818405408 /nfs/dbraw/zinc/40/54/08/818405408.db2.gz NTARCFJXXURRSC-UHFFFAOYSA-N -1 1 290.190 3.167 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@H](F)C(F)(F)C2)c1F ZINC001232931654 818475304 /nfs/dbraw/zinc/47/53/04/818475304.db2.gz QLWINXUUFDEAAB-JTQLQIEISA-N -1 1 295.251 3.240 20 0 CGADMM CN(Cc1ccccc1)Cc1ccc(F)c([O-])c1F ZINC001232934033 818475494 /nfs/dbraw/zinc/47/54/94/818475494.db2.gz WCRZXYFVTXOIBM-UHFFFAOYSA-N -1 1 263.287 3.302 20 0 CGADMM CCN(Cc1ccncc1)Cc1ccc(F)c([O-])c1F ZINC001232933335 818476181 /nfs/dbraw/zinc/47/61/81/818476181.db2.gz HJKJDOYBSHPQFC-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM CCCOC1CCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232935715 818478318 /nfs/dbraw/zinc/47/83/18/818478318.db2.gz VWGWTIPSJLXFQU-UHFFFAOYSA-N -1 1 285.334 3.061 20 0 CGADMM [S-]c1ccc(CN2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC001233261820 818559792 /nfs/dbraw/zinc/55/97/92/818559792.db2.gz FZIPECROFZXGCV-KRWDZBQOSA-N -1 1 299.439 3.419 20 0 CGADMM CN1Cc2c(cccc2-c2ccc([O-])c(F)c2F)NC1=O ZINC001243341543 823355189 /nfs/dbraw/zinc/35/51/89/823355189.db2.gz STZDULZXCRQTPC-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM CCOc1cccc(-c2ccc([O-])c(F)c2F)n1 ZINC001243338436 823352439 /nfs/dbraw/zinc/35/24/39/823352439.db2.gz JOHWWPGRQIOBMW-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM CCOC(=O)c1ccnc(-c2ccc([O-])c(F)c2F)c1C ZINC001243339148 823352994 /nfs/dbraw/zinc/35/29/94/823352994.db2.gz NTVGVFAGLNTTCW-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM Cn1cnc2ccc(-c3ccc([O-])c(F)c3F)cc21 ZINC001243341647 823355345 /nfs/dbraw/zinc/35/53/45/823355345.db2.gz BGAIIWWZEWAIFB-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@H](C)CC(=O)OCC ZINC001233650606 818669552 /nfs/dbraw/zinc/66/95/52/818669552.db2.gz MVOCHRNEXQNTEL-LLVKDONJSA-N -1 1 294.347 3.096 20 0 CGADMM COC(=O)CCc1cccc(-c2ccc([O-])c(F)c2F)c1 ZINC001243342489 823356682 /nfs/dbraw/zinc/35/66/82/823356682.db2.gz GQCFWFGGQMWVEM-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM [O-]c1ccc(-c2ccc3ncncc3c2)c(F)c1F ZINC001243342616 823357192 /nfs/dbraw/zinc/35/71/92/823357192.db2.gz LMAAARSRIRIOKY-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOC(=O)c1cc(C)c(-c2ccc([O-])c(F)c2F)cn1 ZINC001243343448 823358322 /nfs/dbraw/zinc/35/83/22/823358322.db2.gz BYVHMLRUHFTPPB-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM CC/C=C\CCOC(=O)[C@H](C)Oc1nc2sccc2[n-]1 ZINC001234846511 818931793 /nfs/dbraw/zinc/93/17/93/818931793.db2.gz COIXDVIHPWNWRE-LWTINBJPSA-N -1 1 294.376 3.291 20 0 CGADMM c1cc2[n-]c(O[C@@H]3CCc4cccnc43)nc2s1 ZINC001234847551 818932305 /nfs/dbraw/zinc/93/23/05/818932305.db2.gz KDZXEIVCIJNSGM-SNVBAGLBSA-N -1 1 257.318 3.086 20 0 CGADMM Cn1ccc2c1ccnc2-c1ccc(/C=C/C(=O)[O-])cc1 ZINC001235075641 818995066 /nfs/dbraw/zinc/99/50/66/818995066.db2.gz CBQMKTYPZYSMOX-QPJJXVBHSA-N -1 1 278.311 3.338 20 0 CGADMM CSc1nc(C)cc(-c2c(F)ccc(C)c2[O-])n1 ZINC001236389469 819446406 /nfs/dbraw/zinc/44/64/06/819446406.db2.gz FDOIUQIMVPWWEQ-UHFFFAOYSA-N -1 1 264.325 3.327 20 0 CGADMM Cc1ccc(F)c(-c2nccc3ncccc32)c1[O-] ZINC001236389980 819446427 /nfs/dbraw/zinc/44/64/27/819446427.db2.gz HJAZSAYNKGJNGT-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM CCOC(=O)c1cc(-c2c(F)ccc(C)c2[O-])ncc1C ZINC001236394361 819449150 /nfs/dbraw/zinc/44/91/50/819449150.db2.gz WXWVQWVQRUPVLO-UHFFFAOYSA-N -1 1 289.306 3.387 20 0 CGADMM Oc1cc(C[N@@H+]2CCC3(CC3)C2)ccc1Br ZINC001236682540 819569548 /nfs/dbraw/zinc/56/95/48/819569548.db2.gz BFLAEPOJJYNSBZ-UHFFFAOYSA-N -1 1 282.181 3.141 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc(N2CCCC2)nc1 ZINC001243503184 823421629 /nfs/dbraw/zinc/42/16/29/823421629.db2.gz QTANMCNXCOGMPG-UHFFFAOYSA-N -1 1 276.286 3.333 20 0 CGADMM CCOC(=O)c1cc(-c2cc(F)cc(F)c2[O-])cnc1C ZINC001243503156 823421807 /nfs/dbraw/zinc/42/18/07/823421807.db2.gz BQYUAZGNWKLOKI-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)cc(F)c2[O-])c(F)c1 ZINC001243503489 823422228 /nfs/dbraw/zinc/42/22/28/823422228.db2.gz FXBJIOQXUGPLEH-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COC(=O)c1cc(-c2cc(F)cc(F)c2[O-])ccc1F ZINC001243504289 823422880 /nfs/dbraw/zinc/42/28/80/823422880.db2.gz NWVQDIIXEZSVMZ-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COC(=O)c1cc(OC)cc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243506597 823423819 /nfs/dbraw/zinc/42/38/19/823423819.db2.gz ZGQKWPSPRBKGGZ-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM Cc1ccc(C[N@H+](C)Cc2sc(=O)[nH]c2Cl)cc1 ZINC001237150775 819679595 /nfs/dbraw/zinc/67/95/95/819679595.db2.gz RPULFNGVUGOIKI-UHFFFAOYSA-N -1 1 282.796 3.443 20 0 CGADMM O=C([O-])c1ccc(-c2ccc3[nH]cnc3c2)c(F)c1F ZINC001243515700 823427498 /nfs/dbraw/zinc/42/74/98/823427498.db2.gz WICQXRIUXPADMM-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM COC(=O)c1cc(-c2ccc(Cl)c([O-])c2)cnc1F ZINC001243577964 823451885 /nfs/dbraw/zinc/45/18/85/823451885.db2.gz HUWGEROWTMRESO-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM [O-]c1cc(-c2ccc(N3CCCCC3)nn2)ccc1Cl ZINC001243577442 823452050 /nfs/dbraw/zinc/45/20/50/823452050.db2.gz ZXMOYYARQUTUEM-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM Cc1cn2cc(-c3ccc(Cl)c([O-])c3)cnc2n1 ZINC001243577692 823452084 /nfs/dbraw/zinc/45/20/84/823452084.db2.gz CFPLOPHLOHUYGE-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM [O-]c1cc(-c2cncc(N3CCCCC3)n2)ccc1Cl ZINC001243578916 823452720 /nfs/dbraw/zinc/45/27/20/823452720.db2.gz LYVACJUPHBVYOO-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM [O-]c1cc(-c2ccc(-n3nccn3)cc2)ccc1Cl ZINC001243581403 823454298 /nfs/dbraw/zinc/45/42/98/823454298.db2.gz BOSQVZOEXJNLFJ-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM NC(=O)c1cc(F)c(-c2ccc(Cl)c([O-])c2)cc1F ZINC001243582687 823454989 /nfs/dbraw/zinc/45/49/89/823454989.db2.gz CSJLBWUBDXOLIE-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM O=C([O-])C=Cc1cccc(-c2ccc3nc[nH]c3c2)c1 ZINC001240548111 821134665 /nfs/dbraw/zinc/13/46/65/821134665.db2.gz HKJXCQYIHXJUHA-QPJJXVBHSA-N -1 1 264.284 3.328 20 0 CGADMM CSc1c[nH]c2ncnc(-c3cc(F)ccc3[O-])c12 ZINC001240693808 821249388 /nfs/dbraw/zinc/24/93/88/821249388.db2.gz IMADQGBKAPOWLI-UHFFFAOYSA-N -1 1 275.308 3.143 20 0 CGADMM Cc1ccc2nc(-c3ccc([O-])c(F)c3)ncc2c1 ZINC001240782143 821322467 /nfs/dbraw/zinc/32/24/67/821322467.db2.gz RFAOMARJPITTFC-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM CSc1nc(-c2ccc(C)cc2[O-])ncc1F ZINC001241030772 821506087 /nfs/dbraw/zinc/50/60/87/821506087.db2.gz RXLNUJVWCPUXAD-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM Cn1ccc2cc(-c3c(F)cc([O-])cc3F)ccc2c1=O ZINC001241120659 821575447 /nfs/dbraw/zinc/57/54/47/821575447.db2.gz FHVLHFYIGILTFJ-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM [O-]c1cc(F)c(-c2ncnc3c2SCCC3)c(F)c1 ZINC001241120499 821575980 /nfs/dbraw/zinc/57/59/80/821575980.db2.gz XJPOILROLDTSEI-UHFFFAOYSA-N -1 1 280.299 3.166 20 0 CGADMM O=C1Nc2cc(-c3c(F)cc([O-])cc3F)ccc2C12CC2 ZINC001241121602 821577025 /nfs/dbraw/zinc/57/70/25/821577025.db2.gz NUCAVJWJUANMDA-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM [O-]c1cc(F)c(-c2cccc(N3CCOCC3)c2)c(F)c1 ZINC001241120769 821577302 /nfs/dbraw/zinc/57/73/02/821577302.db2.gz KIUDZZYTPAUSQY-UHFFFAOYSA-N -1 1 291.297 3.174 20 0 CGADMM CCOC(=O)c1cc(-c2c(F)cc([O-])cc2F)cnc1C ZINC001241120732 821577635 /nfs/dbraw/zinc/57/76/35/821577635.db2.gz ISTSNZZRSKTWQL-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM NC(=O)c1cc2cc(-c3c(F)cc([O-])cc3F)ccc2o1 ZINC001241122608 821578403 /nfs/dbraw/zinc/57/84/03/821578403.db2.gz HRBOVYOEQVJZHO-UHFFFAOYSA-N -1 1 289.237 3.183 20 0 CGADMM C[C@H]1C(=O)Nc2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241122495 821579025 /nfs/dbraw/zinc/57/90/25/821579025.db2.gz PWDYZKIZWUXYDE-SSDOTTSWSA-N -1 1 275.254 3.393 20 0 CGADMM [O-]c1cc(F)c(-c2cc(F)cc3nccnc32)c(F)c1 ZINC001241123258 821579949 /nfs/dbraw/zinc/57/99/49/821579949.db2.gz XYWJHIXRKKVXBL-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM Cc1c2[nH]cnc2ccc1-c1ccc(C(=O)[O-])c(F)c1 ZINC001241184553 821621587 /nfs/dbraw/zinc/62/15/87/821621587.db2.gz DVRCREZGMNCQAA-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM COC(=O)c1nc2cc(-c3ccccc3C(C)=O)ccc2[n-]1 ZINC001241205161 821638231 /nfs/dbraw/zinc/63/82/31/821638231.db2.gz XRUJOCUYDIUANW-UHFFFAOYSA-N -1 1 294.310 3.219 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccccc3C(C)=O)cc2[n-]1 ZINC001241205161 821638235 /nfs/dbraw/zinc/63/82/35/821638235.db2.gz XRUJOCUYDIUANW-UHFFFAOYSA-N -1 1 294.310 3.219 20 0 CGADMM CCOc1nc(-c2cc([O-])cc(F)c2)nc2c1CCCC2 ZINC001241266161 821685584 /nfs/dbraw/zinc/68/55/84/821685584.db2.gz GNYGSCJQSQEXLG-UHFFFAOYSA-N -1 1 288.322 3.266 20 0 CGADMM CCCCOc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001241268603 821687956 /nfs/dbraw/zinc/68/79/56/821687956.db2.gz YBDDWLXMSPMGEL-UHFFFAOYSA-N -1 1 295.346 3.108 20 0 CGADMM CCCCOc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001241268603 821687959 /nfs/dbraw/zinc/68/79/59/821687959.db2.gz YBDDWLXMSPMGEL-UHFFFAOYSA-N -1 1 295.346 3.108 20 0 CGADMM Cc1cc(C(F)(F)F)c(-c2c(F)ccc([O-])c2F)nn1 ZINC001241289955 821706688 /nfs/dbraw/zinc/70/66/88/821706688.db2.gz GXUIUHOYXFQGFT-UHFFFAOYSA-N -1 1 290.191 3.455 20 0 CGADMM [O-]c1ccc(F)c(-c2cc(N3CCCCC3)ncn2)c1F ZINC001241291092 821707977 /nfs/dbraw/zinc/70/79/77/821707977.db2.gz ZSBSKMVASBHGRY-UHFFFAOYSA-N -1 1 291.301 3.118 20 0 CGADMM CC(C)(C)c1cccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001241307299 821719735 /nfs/dbraw/zinc/71/97/35/821719735.db2.gz CFZCGBSPEINTGJ-UHFFFAOYSA-N -1 1 293.366 3.464 20 0 CGADMM COc1cc2[nH]cnc2cc1-c1cc(F)cc(C(=O)[O-])c1 ZINC001241828944 822167552 /nfs/dbraw/zinc/16/75/52/822167552.db2.gz OJZJZTNXLCLFJR-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM Cc1ncc(-c2ccc([O-])c(C(F)(F)F)c2)nc1C ZINC001242151173 822895499 /nfs/dbraw/zinc/89/54/99/822895499.db2.gz GMGABOGXVDDNIR-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM COc1cc(C)c(-c2ccc([O-])c(C(F)(F)F)c2)nn1 ZINC001242152968 822896559 /nfs/dbraw/zinc/89/65/59/822896559.db2.gz PGLYRUUUOFADAX-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM COc1c(C)ncnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242158335 822899294 /nfs/dbraw/zinc/89/92/94/822899294.db2.gz YYNMJWYHGDXWAX-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM CCOc1ccc(-c2ccc(F)cc2[O-])c(OCC)n1 ZINC001242219952 822916285 /nfs/dbraw/zinc/91/62/85/822916285.db2.gz XZHLMFKLLANQPL-UHFFFAOYSA-N -1 1 277.295 3.391 20 0 CGADMM Cc1c2[nH]cnc2ccc1-c1cccc(CC(=O)[O-])c1 ZINC001242262559 822929934 /nfs/dbraw/zinc/92/99/34/822929934.db2.gz QUISDPZRYUPIJL-UHFFFAOYSA-N -1 1 266.300 3.165 20 0 CGADMM COC(=O)c1cccc2nc(-c3cccc(C)c3[O-])ncc21 ZINC001242344479 822957882 /nfs/dbraw/zinc/95/78/82/822957882.db2.gz XEWMNPMLGBOAAO-UHFFFAOYSA-N -1 1 294.310 3.097 20 0 CGADMM O=c1cc(-c2cccc(Cl)c2[O-])ccn1-c1ccccn1 ZINC001242366049 822968653 /nfs/dbraw/zinc/96/86/53/822968653.db2.gz ORCHGAHQLBOGIB-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM CC1(C(=O)Nc2ccc(Br)c([O-])c2)CC=CC1 ZINC001342443968 936467183 /nfs/dbraw/zinc/46/71/83/936467183.db2.gz UNXKDNKELRGONT-UHFFFAOYSA-N -1 1 296.164 3.450 20 0 CGADMM Cc1coc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1C ZINC001343163381 936489859 /nfs/dbraw/zinc/48/98/59/936489859.db2.gz QQYWYYAVANFIHT-UHFFFAOYSA-N -1 1 274.251 3.458 20 0 CGADMM O=C(CC(C1CC1)C1CC1)Nc1cc([O-])c(F)cc1F ZINC001350777706 936999573 /nfs/dbraw/zinc/99/95/73/936999573.db2.gz BHIUQJRRZGSMEQ-UHFFFAOYSA-N -1 1 281.302 3.435 20 0 CGADMM CCN(C(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1 ZINC001351848983 937027559 /nfs/dbraw/zinc/02/75/59/937027559.db2.gz QIJHKDFYDVSHQW-UHFFFAOYSA-N -1 1 291.734 3.418 20 0 CGADMM CCc1nc(SCc2cc(C)ns2)[n-]c(=O)c1C ZINC001413933993 937215389 /nfs/dbraw/zinc/21/53/89/937215389.db2.gz VQGCTTZJCMQQCP-UHFFFAOYSA-N -1 1 281.406 3.110 20 0 CGADMM COc1ccc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)o1 ZINC001435750269 937266589 /nfs/dbraw/zinc/26/65/89/937266589.db2.gz QOWNSOAYKXMWKX-UHFFFAOYSA-N -1 1 295.241 3.021 20 0 CGADMM Cc1ccc(CNC(=O)c2ncc3ccccc3c2[O-])cc1 ZINC001440589357 937331710 /nfs/dbraw/zinc/33/17/10/937331710.db2.gz RIZGTRCGQOSATQ-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM C[C@@H](C1CC1)N(C(=O)c1cc(Cl)ccc1[O-])C1CC1 ZINC001442631857 937343487 /nfs/dbraw/zinc/34/34/87/937343487.db2.gz HLDFKDLBOLJOIQ-VIFPVBQESA-N -1 1 279.767 3.449 20 0 CGADMM C[C@@H]1c2ccccc2CCN1C(=O)c1cccc([O-])c1F ZINC001445390127 937357051 /nfs/dbraw/zinc/35/70/51/937357051.db2.gz HQTKJHOINYGTHE-LLVKDONJSA-N -1 1 285.318 3.291 20 0 CGADMM Cc1oc(C=O)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001446465558 937363709 /nfs/dbraw/zinc/36/37/09/937363709.db2.gz CMZANJGIKRQFFX-UHFFFAOYSA-N -1 1 279.679 3.012 20 0 CGADMM CSc1ccc([C@@H](C)NC(=O)c2ccc([O-])cn2)cc1 ZINC001448185478 937373754 /nfs/dbraw/zinc/37/37/54/937373754.db2.gz KILHOOVMDDOPFE-SNVBAGLBSA-N -1 1 288.372 3.000 20 0 CGADMM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1ccc(F)c([O-])c1 ZINC001450586547 937385841 /nfs/dbraw/zinc/38/58/41/937385841.db2.gz KMOORIOTGKATIG-RYUDHWBXSA-N -1 1 295.354 3.361 20 0 CGADMM Cc1csc([C@H](C)C(=O)Nc2ccc([O-])c(F)c2F)n1 ZINC001449452362 937379494 /nfs/dbraw/zinc/37/94/94/937379494.db2.gz ZZUBTAKMJVZESH-SSDOTTSWSA-N -1 1 298.314 3.178 20 0 CGADMM O=C(CCNc1ccccc1)Nc1cc([O-])c(F)cc1F ZINC001450905927 937387601 /nfs/dbraw/zinc/38/76/01/937387601.db2.gz XYHZRRIPWZUMCR-UHFFFAOYSA-N -1 1 292.285 3.111 20 0 CGADMM O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1ccc([O-])c(F)c1 ZINC001452249106 937394797 /nfs/dbraw/zinc/39/47/97/937394797.db2.gz FSFURXROBLUUPC-ZIAGYGMSSA-N -1 1 285.318 3.065 20 0 CGADMM CC1=C(C)C[C@H](C(=O)[N-]Oc2ccc(F)cc2)CC1 ZINC001453026443 937399696 /nfs/dbraw/zinc/39/96/96/937399696.db2.gz AHADXPKYGDXYBH-GFCCVEGCSA-N -1 1 263.312 3.372 20 0 CGADMM Cc1scc(CNC(=O)c2cccc([O-])c2F)c1C ZINC001454613793 937410264 /nfs/dbraw/zinc/41/02/64/937410264.db2.gz FCVUJKVXSPXJIQ-UHFFFAOYSA-N -1 1 279.336 3.140 20 0 CGADMM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(F)c1[O-] ZINC001454756587 937412246 /nfs/dbraw/zinc/41/22/46/937412246.db2.gz LURFNZSPCMZKGD-VIFPVBQESA-N -1 1 293.269 3.076 20 0 CGADMM CCc1occc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001455453024 937417696 /nfs/dbraw/zinc/41/76/96/937417696.db2.gz SPVODBBRBVJIIZ-UHFFFAOYSA-N -1 1 279.723 3.131 20 0 CGADMM O=C(Nc1cccc(-c2ccon2)c1)c1cc(F)ccc1[O-] ZINC001456174107 937426832 /nfs/dbraw/zinc/42/68/32/937426832.db2.gz GPLSGFWVGRVHSU-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)c(C)cc1O ZINC001457780794 937445845 /nfs/dbraw/zinc/44/58/45/937445845.db2.gz XCLUJFLXWVXKTF-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM C[C@H]([N-]C(=O)C(F)F)c1cc(Cl)ccc1OC(F)F ZINC001458498115 937465965 /nfs/dbraw/zinc/46/59/65/937465965.db2.gz GCQLYVZWGKJSOO-YFKPBYRVSA-N -1 1 299.651 3.384 20 0 CGADMM CCC[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC001225765488 932039202 /nfs/dbraw/zinc/03/92/02/932039202.db2.gz LTJYFEUVXITNDA-NSHDSACASA-N -1 1 276.361 3.391 20 0 CGADMM C/C=C/[C@H](Oc1nc(C(=O)OC)c[n-]1)C1CCCCC1 ZINC001230282693 932550642 /nfs/dbraw/zinc/55/06/42/932550642.db2.gz YBENDIJZNZVJFG-MXPWBENCSA-N -1 1 278.352 3.100 20 0 CGADMM Cc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc(C)n1 ZINC001304281608 932848961 /nfs/dbraw/zinc/84/89/61/932848961.db2.gz HCJLHRLEVIYLAM-UHFFFAOYSA-N -1 1 294.713 3.449 20 0 CGADMM O=C(NC/C=C/Cl)c1c([O-])cnc2ccc(Cl)cc21 ZINC001306902668 932892762 /nfs/dbraw/zinc/89/27/62/932892762.db2.gz JVQBTZJUTLTIEO-DAFODLJHSA-N -1 1 297.141 3.076 20 0 CGADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc([O-])cc1F ZINC001464447449 937690789 /nfs/dbraw/zinc/69/07/89/937690789.db2.gz ZWFGJYXEWXHBMX-INIZCTEOSA-N -1 1 285.318 3.257 20 0 CGADMM Cc1ccc(N(C)C(=O)c2ccc([O-])cn2)cc1Cl ZINC001465007193 937697219 /nfs/dbraw/zinc/69/72/19/937697219.db2.gz ATBHSFVGWBJJID-UHFFFAOYSA-N -1 1 276.723 3.026 20 0 CGADMM C[C@H](N(C)C(=O)c1cccc([O-])c1F)C(C)(C)C ZINC001464620620 937693621 /nfs/dbraw/zinc/69/36/21/937693621.db2.gz MWVPCCVBXVGKMM-VIFPVBQESA-N -1 1 253.317 3.038 20 0 CGADMM CC(C)c1csc(CNC(=O)c2cccc([O-])c2F)n1 ZINC001465767463 937703385 /nfs/dbraw/zinc/70/33/85/937703385.db2.gz NXWFHROAQSLYCR-UHFFFAOYSA-N -1 1 294.351 3.041 20 0 CGADMM CCC1(NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CC1 ZINC001468282227 937726617 /nfs/dbraw/zinc/72/66/17/937726617.db2.gz KAKVHQONCAPLQK-UHFFFAOYSA-N -1 1 299.326 3.137 20 0 CGADMM CC(C)Cc1c[nH]c(C(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001469159972 937735975 /nfs/dbraw/zinc/73/59/75/937735975.db2.gz HXBNAJKQFMMFDC-UHFFFAOYSA-N -1 1 294.301 3.449 20 0 CGADMM CC[C@@H](NC(=O)c1ccc(F)c([O-])c1)[C@H]1CC1(C)C ZINC001469142233 937735637 /nfs/dbraw/zinc/73/56/37/937735637.db2.gz KHHWYXUSKGJJLA-ZYHUDNBSSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1ncc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])s1 ZINC001471009449 937760408 /nfs/dbraw/zinc/76/04/08/937760408.db2.gz WYCROXCPSBQEHY-SSDOTTSWSA-N -1 1 296.779 3.302 20 0 CGADMM CCc1ccc(C(=O)Nc2cccc(F)c2[O-])s1 ZINC001471167122 937762167 /nfs/dbraw/zinc/76/21/67/937762167.db2.gz YOPGPKYDOHFPTF-UHFFFAOYSA-N -1 1 265.309 3.408 20 0 CGADMM C[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)C[C@@H]1C ZINC001471235985 937763215 /nfs/dbraw/zinc/76/32/15/937763215.db2.gz PHYPGUDSXUWPLX-MNOVXSKESA-N -1 1 296.798 3.233 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001471891571 937770272 /nfs/dbraw/zinc/77/02/72/937770272.db2.gz NCIHDTFKLAYPPG-PWSUYJOCSA-N -1 1 285.343 3.169 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001471891569 937770346 /nfs/dbraw/zinc/77/03/46/937770346.db2.gz NCIHDTFKLAYPPG-JQWIXIFHSA-N -1 1 285.343 3.169 20 0 CGADMM O=C(NC1CCC=CCC1)c1c([O-])cccc1Cl ZINC001471921533 937770702 /nfs/dbraw/zinc/77/07/02/937770702.db2.gz CJZYIKSFRYFNCK-UHFFFAOYSA-N -1 1 265.740 3.274 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1ccc(F)cc1F ZINC001324444913 934504652 /nfs/dbraw/zinc/50/46/52/934504652.db2.gz UAXQDOHMIOFYBB-VHSXEESVSA-N -1 1 271.307 3.162 20 0 CGADMM CS[C@H]1CC[C@H]([N@@H+](C)Cc2c(F)ccc(O)c2F)C1 ZINC001325010091 934882143 /nfs/dbraw/zinc/88/21/43/934882143.db2.gz FXQBNBSQAZXNEO-UWVGGRQHSA-N -1 1 287.375 3.386 20 0 CGADMM CC1(CC(=O)Nc2ccc(Br)c([O-])c2)CC1 ZINC001325236615 934898053 /nfs/dbraw/zinc/89/80/53/934898053.db2.gz VSUBVPPVQUAXMY-UHFFFAOYSA-N -1 1 284.153 3.283 20 0 CGADMM O=C([O-])CC1CC(N[C@@H](c2ccco2)c2ccccc2)C1 ZINC001331967141 935428050 /nfs/dbraw/zinc/42/80/50/935428050.db2.gz FQFNJBSAJKPNJZ-MKTAYPAQSA-N -1 1 285.343 3.212 20 0 CGADMM C[C@H](CCC[C@H](C)NCc1nc(C(C)(C)C)co1)C(=O)[O-] ZINC001334827952 936117680 /nfs/dbraw/zinc/11/76/80/936117680.db2.gz NHJZVKMTHNTBQR-NEPJUHHUSA-N -1 1 296.411 3.341 20 0 CGADMM Fc1cccc([N-]c2nnc(-c3n[nH]c4c3CCCC4)o2)c1 ZINC001335581715 936153801 /nfs/dbraw/zinc/15/38/01/936153801.db2.gz QXVUJKYDTRNIDB-UHFFFAOYSA-N -1 1 299.309 3.221 20 0 CGADMM CCCn1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC001337197464 936242621 /nfs/dbraw/zinc/24/26/21/936242621.db2.gz LCZVWXMSWDUWEY-UHFFFAOYSA-N -1 1 293.754 3.213 20 0 CGADMM CCOCc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC001338072614 936305520 /nfs/dbraw/zinc/30/55/20/936305520.db2.gz QYDMXHXQJFMGIY-UHFFFAOYSA-N -1 1 289.306 3.320 20 0 CGADMM O=C(NC[C@@H]1CCc2ccccc2C1)c1cc(F)ccc1[O-] ZINC001546264534 937970122 /nfs/dbraw/zinc/97/01/22/937970122.db2.gz ZOCHNVXIJGMNGZ-GFCCVEGCSA-N -1 1 299.345 3.066 20 0 CGADMM CSc1cc(F)ccc1[N-]C(=O)c1nocc1C ZINC001526500698 938055663 /nfs/dbraw/zinc/05/56/63/938055663.db2.gz UBGYEBRBAKWDMF-UHFFFAOYSA-N -1 1 266.297 3.096 20 0 CGADMM CC(C)(F)c1cc([N-]C(=O)c2sccc2F)no1 ZINC001538247236 938116626 /nfs/dbraw/zinc/11/66/26/938116626.db2.gz YSVJJYPKOPAUBK-UHFFFAOYSA-N -1 1 272.276 3.332 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C1CC1)c1cc(F)ccc1[O-] ZINC001540728475 938133366 /nfs/dbraw/zinc/13/33/66/938133366.db2.gz IYBBVFHFUQMUHS-INIZCTEOSA-N -1 1 285.318 3.412 20 0 CGADMM CC(C)C[C@@H]1CCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001542754620 938136834 /nfs/dbraw/zinc/13/68/34/938136834.db2.gz RLAPMQXFTLHDOU-LBPRGKRZSA-N -1 1 265.328 3.182 20 0 CGADMM CC[C@H](Cc1ccccc1)NC(=O)c1cc(F)ccc1[O-] ZINC001542777728 938137032 /nfs/dbraw/zinc/13/70/32/938137032.db2.gz JETKAAMALMWOTN-CQSZACIVSA-N -1 1 287.334 3.282 20 0 CGADMM CCc1ccc(CCNC(=O)c2cc(F)ccc2[O-])cc1 ZINC001544115337 938143505 /nfs/dbraw/zinc/14/35/05/938143505.db2.gz OGAJZJPJOAPQEC-UHFFFAOYSA-N -1 1 287.334 3.066 20 0 CGADMM O=C(NC[C@H]1CC=CCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001544221673 938144002 /nfs/dbraw/zinc/14/40/02/938144002.db2.gz UYJNQMGIBZKLQC-LBPRGKRZSA-N -1 1 297.354 3.337 20 0 CGADMM O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc([O-])cn1 ZINC001544930250 938147833 /nfs/dbraw/zinc/14/78/33/938147833.db2.gz WMJWKGFYWBMXMB-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H]1C ZINC001545336202 938149436 /nfs/dbraw/zinc/14/94/36/938149436.db2.gz RCOLUUMOUNRMKM-RKDXNWHRSA-N -1 1 287.281 3.282 20 0 CGADMM Cc1cccc2ccnc(N[C@@H]3C[C@@H]4C[C@H](C(=O)[O-])C[C@H]34)c12 ZINC001551457059 938182064 /nfs/dbraw/zinc/18/20/64/938182064.db2.gz YYSVIJGFXPJLJG-ZQDZILKHSA-N -1 1 296.370 3.454 20 0 CGADMM CSCCCCCCNC(=O)c1cccc([O-])c1F ZINC001556173514 938202105 /nfs/dbraw/zinc/20/21/05/938202105.db2.gz FUFMXNBXAVPAGG-UHFFFAOYSA-N -1 1 285.384 3.185 20 0 CGADMM C[C@@H](NC(=O)c1ncccc1[O-])c1cc2ccccc2s1 ZINC001556218206 938202541 /nfs/dbraw/zinc/20/25/41/938202541.db2.gz WLPZQJHHYGWARE-SNVBAGLBSA-N -1 1 298.367 3.493 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)c([O-])c1 ZINC001557324071 938209244 /nfs/dbraw/zinc/20/92/44/938209244.db2.gz JHBNFNLJXPLDKV-ABXWRUBCSA-N -1 1 288.391 3.040 20 0 CGADMM O=C(NCCC[C@H]1C=CCC1)c1cc(F)ccc1[O-] ZINC001558198829 938214089 /nfs/dbraw/zinc/21/40/89/938214089.db2.gz XXESFOJWYSMXNA-NSHDSACASA-N -1 1 263.312 3.008 20 0 CGADMM O=C(CC(F)(F)F)Nc1cc(F)c([O-])cc1Cl ZINC001558643825 938216874 /nfs/dbraw/zinc/21/68/74/938216874.db2.gz JCRSBZKJKOSTFC-UHFFFAOYSA-N -1 1 271.597 3.076 20 0 CGADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc(F)c([O-])c1 ZINC001558673425 938216997 /nfs/dbraw/zinc/21/69/97/938216997.db2.gz DJLXEFHQHLATMJ-CQSZACIVSA-N -1 1 289.281 3.088 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])C1(C2CCC2)CCC1 ZINC001558966516 938218618 /nfs/dbraw/zinc/21/86/18/938218618.db2.gz PGABUYQBPSCDGY-UHFFFAOYSA-N -1 1 280.755 3.350 20 0 CGADMM CC(=O)c1c(C)cc(Oc2cc(Cl)nc(=O)[n-]2)cc1C ZINC001559269849 938224139 /nfs/dbraw/zinc/22/41/39/938224139.db2.gz QNEIEBYJUJRADB-UHFFFAOYSA-N -1 1 292.722 3.447 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H]2CC[C@H](C)C2)n1 ZINC001559324157 938225262 /nfs/dbraw/zinc/22/52/62/938225262.db2.gz FBXMRWMCFUZLTE-ONGXEEELSA-N -1 1 252.383 3.415 20 0 CGADMM O=S(=O)([N-]CC1CCCCC1)c1sccc1Cl ZINC001561069883 938293026 /nfs/dbraw/zinc/29/30/26/938293026.db2.gz PACHCIQRSRAALK-UHFFFAOYSA-N -1 1 293.841 3.260 20 0 CGADMM O=C([O-])c1ccc(CN[C@H]2CSc3ccccc32)s1 ZINC001595232386 949357827 /nfs/dbraw/zinc/35/78/27/949357827.db2.gz YGPRDRNMHKBKNQ-NSHDSACASA-N -1 1 291.397 3.383 20 0 CGADMM O=C([O-])C[C@H]1CCCCN1Cc1cccc(F)c1Cl ZINC000166456135 949446101 /nfs/dbraw/zinc/44/61/01/949446101.db2.gz SEFQJELOWPXCCO-LLVKDONJSA-N -1 1 285.746 3.308 20 0 CGADMM CCOc1cccc(Cl)c1CN1CCC[C@H](C(=O)[O-])C1 ZINC001592993074 951379246 /nfs/dbraw/zinc/37/92/46/951379246.db2.gz FFIUHPIOAMJEFG-NSHDSACASA-N -1 1 297.782 3.035 20 0 CGADMM Cc1cc([C@H]2CCCCN2Cc2cccc(C(=O)[O-])c2)n[nH]1 ZINC001594301083 957910014 /nfs/dbraw/zinc/91/00/14/957910014.db2.gz HURWOLPYWVZADA-MRXNPFEDSA-N -1 1 299.374 3.144 20 0 CGADMM Cc1cc([C@H]2CCCCN2Cc2cccc(C(=O)[O-])c2)[nH]n1 ZINC001594301083 957910033 /nfs/dbraw/zinc/91/00/33/957910033.db2.gz HURWOLPYWVZADA-MRXNPFEDSA-N -1 1 299.374 3.144 20 0 CGADMM C[C@H](N[C@@H](C)c1ccccc1)c1ccc(C(=O)[O-])o1 ZINC000232424460 960266289 /nfs/dbraw/zinc/26/62/89/960266289.db2.gz JATZHFFHHWPPOR-QWRGUYRKSA-N -1 1 259.305 3.390 20 0 CGADMM O=C1OCc2ccc(-c3cc(F)c([O-])c(F)c3)cc21 ZINC001244093542 960418711 /nfs/dbraw/zinc/41/87/11/960418711.db2.gz HKJJOOMPFWMWAH-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM CC(C)[C@H]1CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001566883118 960575633 /nfs/dbraw/zinc/57/56/33/960575633.db2.gz FUJCCYOMXAGVPX-LLVKDONJSA-N -1 1 287.281 3.282 20 0 CGADMM O=C(/C=C/c1ccccc1)Nc1ccc([O-])c(F)c1F ZINC001569012952 961661348 /nfs/dbraw/zinc/66/13/48/961661348.db2.gz VIORHOZMXIKSCR-RMKNXTFCSA-N -1 1 275.254 3.322 20 0 CGADMM C[C@H](C(=O)Nc1ccc([O-])c(F)c1F)c1ccco1 ZINC001569010595 961662558 /nfs/dbraw/zinc/66/25/58/961662558.db2.gz GGBRXHVUJSTNFI-ZETCQYMHSA-N -1 1 267.231 3.006 20 0 CGADMM O=C(CCCc1ccccn1)Nc1ccc([O-])c(F)c1F ZINC001569010591 961664271 /nfs/dbraw/zinc/66/42/71/961664271.db2.gz GCUUAUYGKJHXLL-UHFFFAOYSA-N -1 1 292.285 3.027 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1C[C@H]1c1ccco1 ZINC001569012664 961667750 /nfs/dbraw/zinc/66/77/50/961667750.db2.gz IJRWHJJNYUCHSR-HTQZYQBOSA-N -1 1 279.242 3.006 20 0 CGADMM O=C(NCC1CCCCCC1)c1cccc([O-])c1F ZINC001569128745 961694999 /nfs/dbraw/zinc/69/49/99/961694999.db2.gz NHZXPFPPVNRETI-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM CSCC1CCC(NC(=O)c2cccc([O-])c2F)CC1 ZINC001569580312 961798167 /nfs/dbraw/zinc/79/81/67/961798167.db2.gz DAVPNSWUUVXIPI-UHFFFAOYSA-N -1 1 297.395 3.183 20 0 CGADMM CCCc1[nH]ccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001570101362 961908129 /nfs/dbraw/zinc/90/81/29/961908129.db2.gz FXDNSYLTYLDTSA-UHFFFAOYSA-N -1 1 280.274 3.203 20 0 CGADMM CC(C)(C)C[C@H]1CCN(C(=O)c2ccc([O-])cn2)C1(C)C ZINC001570270677 961943285 /nfs/dbraw/zinc/94/32/85/961943285.db2.gz SYPZCNSKROODPL-GFCCVEGCSA-N -1 1 290.407 3.464 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1ccoc1Cl ZINC001583586556 962829024 /nfs/dbraw/zinc/82/90/24/962829024.db2.gz LTPOQVUTSCVDHN-UHFFFAOYSA-N -1 1 268.725 3.302 20 0 CGADMM CC(C)C[C@H]1CCCN1C(=O)c1cccc([O-])c1F ZINC001584536315 962931010 /nfs/dbraw/zinc/93/10/10/962931010.db2.gz YJTPWAPKXXPKKB-LLVKDONJSA-N -1 1 265.328 3.182 20 0 CGADMM O=C(NCc1cccc(Cl)c1F)c1cccc([O-])c1F ZINC001587068627 963169978 /nfs/dbraw/zinc/16/99/78/963169978.db2.gz DGUNAFVLVWBSGB-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM CC(C)(C)c1coc(CN2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC001588746663 963309104 /nfs/dbraw/zinc/30/91/04/963309104.db2.gz JOPOCZLYDKPGBP-GFCCVEGCSA-N -1 1 294.395 3.191 20 0 CGADMM Cc1oc(C(C)(C)C)cc1CN(CC(=O)[O-])CC1CC1 ZINC001605455124 973541911 /nfs/dbraw/zinc/54/19/11/973541911.db2.gz YSUCDOYYIALDBZ-UHFFFAOYSA-N -1 1 279.380 3.182 20 0 CGADMM CC[C@H](Sc1nc(Cc2ccccc2)c(C)[nH]1)C(=O)[O-] ZINC001603592693 973791367 /nfs/dbraw/zinc/79/13/67/973791367.db2.gz KHHAJNAMUHNQTK-ZDUSSCGKSA-N -1 1 290.388 3.264 20 0 CGADMM C[C@H](CC(C)(C)CC(=O)[O-])Nc1cc2c(cn1)CCC2 ZINC001592445380 978112760 /nfs/dbraw/zinc/11/27/60/978112760.db2.gz LPWILMWEDUXZMN-LLVKDONJSA-N -1 1 276.380 3.262 20 0 CGADMM CC[C@@H](Nc1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC001595319062 980505884 /nfs/dbraw/zinc/50/58/84/980505884.db2.gz XYYVWFPOPRTKLT-OAHLLOKOSA-N -1 1 276.380 3.342 20 0 CGADMM CCC1(c2ccccc2)CN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC001595397468 980965548 /nfs/dbraw/zinc/96/55/48/980965548.db2.gz PUKURBDTKZCUID-UHFFFAOYSA-N -1 1 299.370 3.450 20 0 CGADMM CC[C@H](C)[C@@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)[O-] ZINC001594929484 982547152 /nfs/dbraw/zinc/54/71/52/982547152.db2.gz SOWYBHFHPQWLIO-JOYOIKCWSA-N -1 1 278.377 3.463 20 0 CGADMM CCN(Cc1ccc(C(=O)[O-])[nH]1)Cc1cccc(Cl)c1 ZINC001596364437 983848285 /nfs/dbraw/zinc/84/82/85/983848285.db2.gz GEUPDNVNHBMNFH-UHFFFAOYSA-N -1 1 292.766 3.388 20 0 CGADMM CCc1ccc([C@H](C)NCc2ccccc2CC(=O)[O-])o1 ZINC001597513219 988106312 /nfs/dbraw/zinc/10/63/12/988106312.db2.gz NMPLTJPTHNWRAG-LBPRGKRZSA-N -1 1 287.359 3.320 20 0 CGADMM CC(C)[C@H]1CCCN(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001591087712 991610612 /nfs/dbraw/zinc/61/06/12/991610612.db2.gz RIICHGUCKFXOIK-NSHDSACASA-N -1 1 282.409 3.099 20 0 CGADMM C[C@](NCc1cc(F)ccc1F)(C(=O)[O-])c1ccccc1 ZINC001593293019 994681160 /nfs/dbraw/zinc/68/11/60/994681160.db2.gz RSSGIBHBMBLJPO-MRXNPFEDSA-N -1 1 291.297 3.054 20 0 CGADMM COc1cccc(CN[C@H](C)c2cc(C(=O)[O-])co2)c1C ZINC001599672961 994846748 /nfs/dbraw/zinc/84/67/48/994846748.db2.gz CBYDYKRLAHQJML-LLVKDONJSA-N -1 1 289.331 3.146 20 0 CGADMM CO[C@@]1(C)CCCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001599086961 997115550 /nfs/dbraw/zinc/11/55/50/997115550.db2.gz CKRVXUQJIWSSEX-HNNXBMFYSA-N -1 1 297.782 3.039 20 0 CGADMM C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1ncc(C(=O)[O-])s1 ZINC001594213805 998824170 /nfs/dbraw/zinc/82/41/70/998824170.db2.gz GGBUNRXHVVHWGY-MNOVXSKESA-N -1 1 296.436 3.488 20 0 CGADMM CO[C@@H](CN[C@H](C(=O)[O-])c1ccsc1)C1CCCCC1 ZINC001599053738 999207292 /nfs/dbraw/zinc/20/72/92/999207292.db2.gz MRNXLIWHLDYAKH-KBPBESRZSA-N -1 1 297.420 3.059 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCCCC[C@@H]1C ZINC001594372428 999406945 /nfs/dbraw/zinc/40/69/45/999406945.db2.gz XULNJKLCXLWCIP-UWVGGRQHSA-N -1 1 268.382 3.167 20 0 CGADMM CCOc1cc(C(=O)N(C)C2CCC2)cc(Cl)c1[O-] ZINC000273843843 192332196 /nfs/dbraw/zinc/33/21/96/192332196.db2.gz KADBCQOEDUAVIA-UHFFFAOYSA-N -1 1 283.755 3.069 20 0 CGADMM CC(C)(C)c1ccc(NC(=O)c2cncc([O-])c2)c(O)c1 ZINC000337673363 214210483 /nfs/dbraw/zinc/21/04/83/214210483.db2.gz KNAFEFCTCKLPKM-UHFFFAOYSA-N -1 1 286.331 3.043 20 0 CGADMM Cc1cc(CSc2nc(C(F)F)cc(=O)[n-]2)ccn1 ZINC000621995778 349619193 /nfs/dbraw/zinc/61/91/93/349619193.db2.gz HSGVJWGXUSXKDL-UHFFFAOYSA-N -1 1 283.303 3.116 20 0 CGADMM CO[C@@H](C)c1nc(=N[C@@H](C)CCCC(F)(F)F)s[n-]1 ZINC000337943455 214323093 /nfs/dbraw/zinc/32/30/93/214323093.db2.gz DTKMOMDZRDANJX-YUMQZZPRSA-N -1 1 297.346 3.200 20 0 CGADMM CO[C@@H](C)c1nc(=NCC2(C)CCC(C)CC2)s[n-]1 ZINC000337946941 214326106 /nfs/dbraw/zinc/32/61/06/214326106.db2.gz WRWYLDAINMJYGX-CVZZAPKMSA-N -1 1 283.441 3.296 20 0 CGADMM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ncc(C)cc1[O-] ZINC000427465427 529406871 /nfs/dbraw/zinc/40/68/71/529406871.db2.gz HOSPVOLCEJGIGJ-OLZOCXBDSA-N -1 1 276.380 3.136 20 0 CGADMM CC(C)(C)CC(C)(C)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000622293355 349668904 /nfs/dbraw/zinc/66/89/04/349668904.db2.gz JTTQRATWICCFES-UHFFFAOYSA-N -1 1 295.452 3.084 20 0 CGADMM CCC(C)(C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000622294297 349668930 /nfs/dbraw/zinc/66/89/30/349668930.db2.gz PHAWUAQJLPTAJD-UHFFFAOYSA-N -1 1 275.270 3.329 20 0 CGADMM CNc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000622467544 349681679 /nfs/dbraw/zinc/68/16/79/349681679.db2.gz XWXUBBNTZPTLPC-UHFFFAOYSA-N -1 1 294.713 3.479 20 0 CGADMM Cc1csc([C@H](C)NC(=O)c2c([O-])cccc2Cl)n1 ZINC000727858703 571773336 /nfs/dbraw/zinc/77/33/36/571773336.db2.gz GMYLPVGPDOFHHE-QMMMGPOBSA-N -1 1 296.779 3.302 20 0 CGADMM CCc1nc(CNCc2ccc(C)s2)ccc1C(=O)[O-] ZINC000426637769 529740224 /nfs/dbraw/zinc/74/02/24/529740224.db2.gz NBEIYNCNVWZJOH-UHFFFAOYSA-N -1 1 290.388 3.002 20 0 CGADMM Cc1nc(C2CC2)oc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000273925816 192365317 /nfs/dbraw/zinc/36/53/17/192365317.db2.gz VOWCETATQAAQCX-UHFFFAOYSA-N -1 1 292.722 3.472 20 0 CGADMM C[C@H]1c2ccsc2CCN1Cc1occc1C(=O)[O-] ZINC000042771636 344988030 /nfs/dbraw/zinc/98/80/30/344988030.db2.gz ZUHHFPYMAPVTSX-VIFPVBQESA-N -1 1 277.345 3.159 20 0 CGADMM O=S(=O)([N-]C1CCCCC1)c1cc(Cl)ccc1F ZINC000074936737 345488163 /nfs/dbraw/zinc/48/81/63/345488163.db2.gz SNQLUCLISOTNHB-UHFFFAOYSA-N -1 1 291.775 3.090 20 0 CGADMM CCc1nsc([N-]c2cnn(Cc3ccccc3)c2)n1 ZINC000092620680 345847536 /nfs/dbraw/zinc/84/75/36/345847536.db2.gz MROZXDORHQNVNU-UHFFFAOYSA-N -1 1 285.376 3.089 20 0 CGADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1cc(Cl)ccc1Cl ZINC000092940721 345863197 /nfs/dbraw/zinc/86/31/97/345863197.db2.gz RWDHOVWFQZLWJX-LDYMZIIASA-N -1 1 288.174 3.288 20 0 CGADMM CCCCN(C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000211543447 346285987 /nfs/dbraw/zinc/28/59/87/346285987.db2.gz RHHLEKRMQPTNJZ-LBPRGKRZSA-N -1 1 273.735 3.337 20 0 CGADMM CC1(CNC(=O)c2cc3ccccc3cc2[O-])CCC1 ZINC000232863036 346327799 /nfs/dbraw/zinc/32/77/99/346327799.db2.gz RXAWXDBKPSRCSV-UHFFFAOYSA-N -1 1 269.344 3.465 20 0 CGADMM COc1ccncc1NCc1cccc([O-])c1Cl ZINC000339318582 215093903 /nfs/dbraw/zinc/09/39/03/215093903.db2.gz XWTSJBQUSBQVEG-UHFFFAOYSA-N -1 1 264.712 3.061 20 0 CGADMM COC(C)(C)CCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000351888817 219238574 /nfs/dbraw/zinc/23/85/74/219238574.db2.gz TVVFALZHNNJWGG-UHFFFAOYSA-N -1 1 278.324 3.027 20 0 CGADMM O=C(Cc1cccc(Cl)c1)Nc1c([O-])cccc1F ZINC000608365316 348301020 /nfs/dbraw/zinc/30/10/20/348301020.db2.gz GKAXDUGUKCIKSC-UHFFFAOYSA-N -1 1 279.698 3.366 20 0 CGADMM Cc1cc(F)cc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000608365748 348301553 /nfs/dbraw/zinc/30/15/53/348301553.db2.gz QGEIHCVJFHLFRE-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@@H](C(=O)Nc1c([O-])cccc1F)c1ccsc1 ZINC000608366374 348301653 /nfs/dbraw/zinc/30/16/53/348301653.db2.gz TUUYGOSGNAXUPU-MRVPVSSYSA-N -1 1 265.309 3.335 20 0 CGADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ncc2ccccc2c1[O-] ZINC000613237232 348578623 /nfs/dbraw/zinc/57/86/23/348578623.db2.gz XWLHHJNEGPBMJL-WCQYABFASA-N -1 1 284.359 3.344 20 0 CGADMM C[C@H]1CN(C(=O)c2ncc3ccccc3c2[O-])CC(C)(C)C1 ZINC000613444593 348604893 /nfs/dbraw/zinc/60/48/93/348604893.db2.gz XBZTZWPRPCEDCO-GFCCVEGCSA-N -1 1 298.386 3.449 20 0 CGADMM CC[C@H](C)N(CC)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000616983591 348892227 /nfs/dbraw/zinc/89/22/27/348892227.db2.gz QAQJJDDATHRMHC-VIFPVBQESA-N -1 1 285.771 3.315 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000616723403 348872797 /nfs/dbraw/zinc/87/27/97/348872797.db2.gz DLKCELPTHXUQIY-JQWIXIFHSA-N -1 1 299.292 3.426 20 0 CGADMM O=C(N[C@]12C[C@H]1CCC2)c1ccc2ccccc2c1[O-] ZINC000617203169 348931462 /nfs/dbraw/zinc/93/14/62/348931462.db2.gz YNCBGEKNHRIXHE-SJKOYZFVSA-N -1 1 267.328 3.218 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@H](C3CCCCC3)C2)c([O-])c1 ZINC000618186715 349059793 /nfs/dbraw/zinc/05/97/93/349059793.db2.gz RBUFVOJXKXFLOR-AWEZNQCLSA-N -1 1 288.391 3.138 20 0 CGADMM Cc1ncsc1CN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000104449680 186005680 /nfs/dbraw/zinc/00/56/80/186005680.db2.gz OHNJUKJGVNCDDH-UHFFFAOYSA-N -1 1 296.779 3.083 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])CC12CCC2 ZINC000271280264 191045864 /nfs/dbraw/zinc/04/58/64/191045864.db2.gz CHLIAXPFKRXZJK-LLVKDONJSA-N -1 1 277.339 3.184 20 0 CGADMM C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])CC12CCC2 ZINC000271280266 191045987 /nfs/dbraw/zinc/04/59/87/191045987.db2.gz CHLIAXPFKRXZJK-NSHDSACASA-N -1 1 277.339 3.184 20 0 CGADMM CC1(C)CC[C@@H](CO)[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625579256 350184910 /nfs/dbraw/zinc/18/49/10/350184910.db2.gz AODKRPOYWPBDKX-LBPRGKRZSA-N -1 1 283.799 3.029 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1ccc(C(F)F)o1 ZINC000626289060 350292237 /nfs/dbraw/zinc/29/22/37/350292237.db2.gz ANOQVTUYVHZQMN-UHFFFAOYSA-N -1 1 270.235 3.328 20 0 CGADMM CC(C)(C)C(=O)CCCC(=O)Nc1cccc(F)c1[O-] ZINC000628959920 350625685 /nfs/dbraw/zinc/62/56/85/350625685.db2.gz MYQXIVHVRLUNPI-UHFFFAOYSA-N -1 1 281.327 3.255 20 0 CGADMM CCCC1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCC1 ZINC000629376244 350683050 /nfs/dbraw/zinc/68/30/50/350683050.db2.gz SQCLOQBJWRMNTR-UHFFFAOYSA-N -1 1 299.374 3.487 20 0 CGADMM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378469 350684046 /nfs/dbraw/zinc/68/40/46/350684046.db2.gz XNSYJBKLEWKSPZ-NWDGAFQWSA-N -1 1 287.363 3.199 20 0 CGADMM C/C=C/C[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000629870128 350778316 /nfs/dbraw/zinc/77/83/16/350778316.db2.gz DEMUWJGTXMDOHQ-KXMPLOMGSA-N -1 1 295.329 3.489 20 0 CGADMM C/C=C\C[C@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000629871401 350779859 /nfs/dbraw/zinc/77/98/59/350779859.db2.gz JXAGAJWJIVRIKI-DLGQBQFBSA-N -1 1 277.339 3.350 20 0 CGADMM CCC(CC)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630931127 350911785 /nfs/dbraw/zinc/91/17/85/350911785.db2.gz NGXWUASPVWKLRS-UHFFFAOYSA-N -1 1 269.772 3.141 20 0 CGADMM CCOC1CC(CSc2nc(C)c(C3CC3)c(=O)[n-]2)C1 ZINC000631023061 350926454 /nfs/dbraw/zinc/92/64/54/350926454.db2.gz GJLAFGJPJOSLFB-UHFFFAOYSA-N -1 1 294.420 3.275 20 0 CGADMM Cc1nc(SC[C@@H]2CCC[C@@H](O)C2)[n-]c(=O)c1C1CC1 ZINC000631023442 350927118 /nfs/dbraw/zinc/92/71/18/350927118.db2.gz REKGVBRYVAHZLC-ZYHUDNBSSA-N -1 1 294.420 3.011 20 0 CGADMM CC(C)CCN(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630708121 350876451 /nfs/dbraw/zinc/87/64/51/350876451.db2.gz YFQUDBQGARVULP-UHFFFAOYSA-N -1 1 269.772 3.093 20 0 CGADMM CCC[C@@H](C)N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630734999 350880916 /nfs/dbraw/zinc/88/09/16/350880916.db2.gz MHGHWNYBDSQGLQ-SNVBAGLBSA-N -1 1 269.772 3.235 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@@H]1CC=CCC1 ZINC000630837045 350896982 /nfs/dbraw/zinc/89/69/82/350896982.db2.gz OYKQRUALPRTHJN-LLVKDONJSA-N -1 1 279.767 3.061 20 0 CGADMM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631645900 351103619 /nfs/dbraw/zinc/10/36/19/351103619.db2.gz CREZFASKLACIES-IUCAKERBSA-N -1 1 293.335 3.074 20 0 CGADMM C[C@@H](N(C)C(=O)Cc1ccc([O-])c(Cl)c1)C1(C)CC1 ZINC000631692790 351120383 /nfs/dbraw/zinc/12/03/83/351120383.db2.gz VFUCUSCFRFNXPW-SNVBAGLBSA-N -1 1 281.783 3.235 20 0 CGADMM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631814181 351148093 /nfs/dbraw/zinc/14/80/93/351148093.db2.gz FDQRANWPUWKZOH-QMMMGPOBSA-N -1 1 281.324 3.074 20 0 CGADMM CC[C@H]1CCC[C@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631759575 351138473 /nfs/dbraw/zinc/13/84/73/351138473.db2.gz CCHBEWIYQOSCHJ-WCQYABFASA-N -1 1 281.783 3.283 20 0 CGADMM Cc1ccoc1CN(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633182156 351252668 /nfs/dbraw/zinc/25/26/68/351252668.db2.gz OAJYUUOGNFSOGE-UHFFFAOYSA-N -1 1 293.750 3.148 20 0 CGADMM CCN(CC(C)(C)C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633183483 351252847 /nfs/dbraw/zinc/25/28/47/351252847.db2.gz YLTLDRUTPIXENU-UHFFFAOYSA-N -1 1 283.799 3.483 20 0 CGADMM C[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632693536 351210137 /nfs/dbraw/zinc/21/01/37/351210137.db2.gz HLJOAJRVFWABEN-MRVPVSSYSA-N -1 1 293.335 3.074 20 0 CGADMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)C1(C)CCCC1 ZINC000632787419 351216506 /nfs/dbraw/zinc/21/65/06/351216506.db2.gz ZDZXYSFAZSJIEN-UHFFFAOYSA-N -1 1 281.783 3.379 20 0 CGADMM CC1(C2(NC(=O)Cc3ccc([O-])c(Cl)c3)CC2)CC1 ZINC000633353270 351284376 /nfs/dbraw/zinc/28/43/76/351284376.db2.gz ZHEWHTAYOBWCFT-UHFFFAOYSA-N -1 1 279.767 3.037 20 0 CGADMM C[C@H](COc1ccccc1)n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634629159 351551780 /nfs/dbraw/zinc/55/17/80/351551780.db2.gz OBDXVWQMQQPCJG-NFAWXSAZSA-N -1 1 286.375 3.088 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3ccc(F)c(F)c3)c(=O)c2C1 ZINC000634590783 351527975 /nfs/dbraw/zinc/52/79/75/351527975.db2.gz JTWMGSSRSLURLJ-MWLCHTKSSA-N -1 1 278.302 3.099 20 0 CGADMM Cc1c(Cl)cccc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634592398 351528972 /nfs/dbraw/zinc/52/89/72/351528972.db2.gz IJLIERULVRVQMW-OQPBUACISA-N -1 1 262.740 3.397 20 0 CGADMM CSc1ccc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)cc1 ZINC000634594155 351529601 /nfs/dbraw/zinc/52/96/01/351529601.db2.gz MNIGKKSITIGJGM-TVQRCGJNSA-N -1 1 260.362 3.157 20 0 CGADMM CN(C)c1ccccc1Cn1[n-]c2c(c1=O)CCCCCC2 ZINC000634595746 351531930 /nfs/dbraw/zinc/53/19/30/351531930.db2.gz KYILLKYSDZOJLL-HNNXBMFYSA-N -1 1 299.418 3.421 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(C(F)(F)F)cc3)c(=O)c21 ZINC000634595575 351532079 /nfs/dbraw/zinc/53/20/79/351532079.db2.gz GNPGYODITKUBGK-PELKAZGASA-N -1 1 282.265 3.454 20 0 CGADMM CCc1c(C(C)C)[n-]n(Cc2ccccc2N(C)C)c1=O ZINC000634595626 351532217 /nfs/dbraw/zinc/53/22/17/351532217.db2.gz HVYCFEXBDRQEOM-AWEZNQCLSA-N -1 1 287.407 3.133 20 0 CGADMM C[C@H](c1ccccc1)n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634599483 351535636 /nfs/dbraw/zinc/53/56/36/351535636.db2.gz JNQAHHSQIHNTOD-BZPMIXESSA-N -1 1 256.349 3.382 20 0 CGADMM O=c1c2c([n-]n1Cc1ccccc1F)CCCCCC2 ZINC000634607753 351539803 /nfs/dbraw/zinc/53/98/03/351539803.db2.gz HEUBMARMBLKQJV-CYBMUJFWSA-N -1 1 274.339 3.494 20 0 CGADMM COc1ccc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)cc1Cl ZINC000634614976 351543394 /nfs/dbraw/zinc/54/33/94/351543394.db2.gz UEGFSSNSOBLETR-SDBXPKJASA-N -1 1 278.739 3.097 20 0 CGADMM CC(C)=C(C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000636005920 351711827 /nfs/dbraw/zinc/71/18/27/351711827.db2.gz RLHVWHQHQXYZRF-UHFFFAOYSA-N -1 1 255.264 3.355 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)c1nc(C)cs1 ZINC000154866947 188166692 /nfs/dbraw/zinc/16/66/92/188166692.db2.gz LBAHREMRJNTNAP-GFCCVEGCSA-N -1 1 294.351 3.177 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCCS1 ZINC000157720730 188334870 /nfs/dbraw/zinc/33/48/70/188334870.db2.gz MCLWWVPAWSQQRB-NSHDSACASA-N -1 1 271.769 3.270 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2cc(F)cc(F)c2F)on1 ZINC000336413640 213271791 /nfs/dbraw/zinc/27/17/91/213271791.db2.gz KDKVTMHVJWPQOH-UHFFFAOYSA-N -1 1 284.237 3.468 20 0 CGADMM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(F)cc1[O-] ZINC000340330352 215544592 /nfs/dbraw/zinc/54/45/92/215544592.db2.gz YEGNCFSKPPYZJV-NSHDSACASA-N -1 1 283.343 3.311 20 0 CGADMM CCn1c(C(=O)Nc2ccncc2[O-])cc2ccccc21 ZINC000109889404 138362267 /nfs/dbraw/zinc/36/22/67/138362267.db2.gz XGIXDOXZMOILNK-UHFFFAOYSA-N -1 1 281.315 3.014 20 0 CGADMM C[C@@H](N=c1ccc(N2CCC=C(F)C2)n[n-]1)c1ccccc1 ZINC000425242412 236222152 /nfs/dbraw/zinc/22/21/52/236222152.db2.gz CCACUJFKUSQYTB-CYBMUJFWSA-N -1 1 298.365 3.135 20 0 CGADMM O=C([O-])[C@@H](Cc1ccccc1)NCc1cc2ccccc2o1 ZINC000426684793 236306283 /nfs/dbraw/zinc/30/62/83/236306283.db2.gz BXODGKWHQUNATM-MRXNPFEDSA-N -1 1 295.338 3.218 20 0 CGADMM O=C([O-])[C@H](NCc1cc(Cl)ccc1F)c1ccsc1 ZINC000426793695 236314567 /nfs/dbraw/zinc/31/45/67/236314567.db2.gz RCFSJUIGUMYHNN-GFCCVEGCSA-N -1 1 299.754 3.456 20 0 CGADMM O=C(NCC1CCC(F)(F)CC1)c1cc(F)ccc1[O-] ZINC000436508757 237120780 /nfs/dbraw/zinc/12/07/80/237120780.db2.gz DURAKEDJLPRUQC-UHFFFAOYSA-N -1 1 287.281 3.087 20 0 CGADMM O=C(N[C@H]1CCc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000436518751 237118398 /nfs/dbraw/zinc/11/83/98/237118398.db2.gz ZOEISARQSFLWPN-AWEZNQCLSA-N -1 1 287.746 3.463 20 0 CGADMM Cc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC000436663221 237154860 /nfs/dbraw/zinc/15/48/60/237154860.db2.gz GAGSLQNKDWCBII-UHFFFAOYSA-N -1 1 289.718 3.175 20 0 CGADMM C[C@H](CNC(=O)c1cc(F)ccc1[O-])Cc1cccs1 ZINC000436591762 237140148 /nfs/dbraw/zinc/14/01/48/237140148.db2.gz YCUCSFMTLUVCDE-JTQLQIEISA-N -1 1 293.363 3.201 20 0 CGADMM Cc1ccccc1C[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000436942574 237217945 /nfs/dbraw/zinc/21/79/45/237217945.db2.gz CBWSLLTXWVLLDI-GFCCVEGCSA-N -1 1 287.334 3.201 20 0 CGADMM CCc1occc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436877886 237201430 /nfs/dbraw/zinc/20/14/30/237201430.db2.gz IFRKYTAGCZHDPI-UHFFFAOYSA-N -1 1 274.251 3.404 20 0 CGADMM O=C(NCC(F)(F)c1ccccc1)c1c([O-])cccc1F ZINC000436934808 237217228 /nfs/dbraw/zinc/21/72/28/237217228.db2.gz MRLJZZSFFQCJIY-UHFFFAOYSA-N -1 1 295.260 3.053 20 0 CGADMM CC[C@H]1CO[C@@H](C)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000298089965 200331469 /nfs/dbraw/zinc/33/14/69/200331469.db2.gz ROUBJGPZWDOGEI-WFASDCNBSA-N -1 1 299.370 3.185 20 0 CGADMM Cc1ccc(CC(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1 ZINC000342263176 216281984 /nfs/dbraw/zinc/28/19/84/216281984.db2.gz KUTZBVHVRYQPPX-UHFFFAOYSA-N -1 1 297.383 3.050 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1Cc1ccccc1 ZINC000181092450 189288333 /nfs/dbraw/zinc/28/83/33/189288333.db2.gz RBQSQGGGESVJBT-CQSZACIVSA-N -1 1 299.345 3.379 20 0 CGADMM Cc1ccc(C)c(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181823449 189307660 /nfs/dbraw/zinc/30/76/60/189307660.db2.gz RQJGWQJLTUYUSL-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM O=S(=O)([N-]C1CCCCC1)c1sccc1Cl ZINC000450955211 240167219 /nfs/dbraw/zinc/16/72/19/240167219.db2.gz DXFVJUIKZBRJTA-UHFFFAOYSA-N -1 1 279.814 3.013 20 0 CGADMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451173751 240236703 /nfs/dbraw/zinc/23/67/03/240236703.db2.gz UDTSVEAVKAPONU-BXKDBHETSA-N -1 1 297.351 3.039 20 0 CGADMM CC1(C)CC[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000451364015 240285300 /nfs/dbraw/zinc/28/53/00/240285300.db2.gz UTVWCPXPTCHDPF-QMMMGPOBSA-N -1 1 293.841 3.259 20 0 CGADMM O=C([O-])[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000003749222 368518020 /nfs/dbraw/zinc/51/80/20/368518020.db2.gz LLRUYHLJCAKRBE-JTQLQIEISA-N -1 1 288.174 3.290 20 0 CGADMM O=C(c1ncccc1[O-])N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000123937818 370916785 /nfs/dbraw/zinc/91/67/85/370916785.db2.gz LNULVUOPQZBTSS-OAHLLOKOSA-N -1 1 294.354 3.079 20 0 CGADMM CCCC1CCC(N(C)C(=O)c2cncc([O-])c2)CC1 ZINC000330625527 203052599 /nfs/dbraw/zinc/05/25/99/203052599.db2.gz TZQSZJYATYBFBI-UHFFFAOYSA-N -1 1 276.380 3.218 20 0 CGADMM CCOc1ccc(NC(=O)c2ccccc2[O-])cc1OC ZINC000029378664 368895289 /nfs/dbraw/zinc/89/52/89/368895289.db2.gz VSIZTCLVISDZBP-UHFFFAOYSA-N -1 1 287.315 3.052 20 0 CGADMM CCCc1nc(CN2CCCC[C@@H]2CCC(=O)[O-])cs1 ZINC000050924276 369444585 /nfs/dbraw/zinc/44/45/85/369444585.db2.gz HIEIUWZUHBOGOV-CYBMUJFWSA-N -1 1 296.436 3.315 20 0 CGADMM CCc1nc(CC(=O)Nc2ccc([O-])c(Cl)c2)cs1 ZINC000111668282 370404335 /nfs/dbraw/zinc/40/43/35/370404335.db2.gz HTSGFLLGRSXIBD-UHFFFAOYSA-N -1 1 296.779 3.246 20 0 CGADMM CCCCc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000111771679 370406843 /nfs/dbraw/zinc/40/68/43/370406843.db2.gz ZDKVROQBMAASKN-UHFFFAOYSA-N -1 1 270.332 3.382 20 0 CGADMM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cncc([O-])c1 ZINC000111775484 370406901 /nfs/dbraw/zinc/40/69/01/370406901.db2.gz GZNALINWZGYFLA-CYBMUJFWSA-N -1 1 284.359 3.228 20 0 CGADMM CSc1ccc([C@@H](C)NC(=O)c2cncc([O-])c2)cc1 ZINC000111776278 370408297 /nfs/dbraw/zinc/40/82/97/370408297.db2.gz STRUASOOHIICIN-SNVBAGLBSA-N -1 1 288.372 3.000 20 0 CGADMM C[C@H](CC1CCCC1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000114319848 370496729 /nfs/dbraw/zinc/49/67/29/370496729.db2.gz SXTCGOYNUQKLSD-LLVKDONJSA-N -1 1 299.378 3.022 20 0 CGADMM CCC[C@H](CC)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000134059003 371300038 /nfs/dbraw/zinc/30/00/38/371300038.db2.gz CFJPPJBZSHREDL-LBPRGKRZSA-N -1 1 281.377 3.290 20 0 CGADMM CCN(Cc1ccccc1Cl)C(=O)c1ncccc1[O-] ZINC000135392412 371422110 /nfs/dbraw/zinc/42/21/10/371422110.db2.gz NGHISSMCKRNKNN-UHFFFAOYSA-N -1 1 290.750 3.103 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](C2CCCC2)C1 ZINC000421950980 371713341 /nfs/dbraw/zinc/71/33/41/371713341.db2.gz OVPCVVHVCXQWMC-GFCCVEGCSA-N -1 1 277.339 3.184 20 0 CGADMM O=C(NCCc1ccc(Cl)s1)c1ccc([O-])cc1F ZINC000154628323 371863791 /nfs/dbraw/zinc/86/37/91/371863791.db2.gz VLAIVFANRKTCPC-UHFFFAOYSA-N -1 1 299.754 3.219 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc([O-])cc1F ZINC000154883400 371887386 /nfs/dbraw/zinc/88/73/86/371887386.db2.gz GGSOCKOSPMVHLD-WFASDCNBSA-N -1 1 285.318 3.065 20 0 CGADMM O=C([O-])C[C@@H]1CCCN(Cc2ccc(Cl)cc2F)C1 ZINC000162545063 372401840 /nfs/dbraw/zinc/40/18/40/372401840.db2.gz LYYCEMKUIDZKGI-JTQLQIEISA-N -1 1 285.746 3.166 20 0 CGADMM [O-]c1cccc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c1Cl ZINC000293908932 372521254 /nfs/dbraw/zinc/52/12/54/372521254.db2.gz FVRIVTMCQQJJKJ-CVEARBPZSA-N -1 1 293.794 3.189 20 0 CGADMM [O-]c1cccc(C[N@H+]2CCCC3(CCOCC3)C2)c1Cl ZINC000295252608 372717450 /nfs/dbraw/zinc/71/74/50/372717450.db2.gz GBMOQKOCXCNYJA-UHFFFAOYSA-N -1 1 295.810 3.438 20 0 CGADMM CC[C@@]1(C)COCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436710280 372838130 /nfs/dbraw/zinc/83/81/30/372838130.db2.gz RQTCNQQCERUPJL-SFHVURJKSA-N -1 1 299.370 3.187 20 0 CGADMM O=S(=O)([N-]c1ccc2ccoc2c1)c1cccc(F)c1 ZINC000442856207 373105566 /nfs/dbraw/zinc/10/55/66/373105566.db2.gz YIFCDGQNIIKPAY-UHFFFAOYSA-N -1 1 291.303 3.373 20 0 CGADMM CC[C@@H](C)[C@H](NC(=O)c1cc(F)ccc1[O-])C(F)(F)F ZINC000444562706 373201050 /nfs/dbraw/zinc/20/10/50/373201050.db2.gz WDGJEOWRFDYMPQ-HQJQHLMTSA-N -1 1 293.260 3.238 20 0 CGADMM Cc1ccc(F)c(-c2cc(=NC(=O)CC3CCC3)[nH][n-]2)c1 ZINC000444809689 373278764 /nfs/dbraw/zinc/27/87/64/373278764.db2.gz CDNFPAZHBOOGPD-UHFFFAOYSA-N -1 1 287.338 3.075 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2c([O-])cccc2F)[C@H](C)C1 ZINC000300241779 373621371 /nfs/dbraw/zinc/62/13/71/373621371.db2.gz QNPWGFWQJNFHFJ-CKYFFXLPSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc([O-])cc1F ZINC000181234961 374096729 /nfs/dbraw/zinc/09/67/29/374096729.db2.gz UYEYBVDSHTVQJB-WDEREUQCSA-N -1 1 265.328 3.182 20 0 CGADMM CC(C)Cn1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000183301526 374399077 /nfs/dbraw/zinc/39/90/77/374399077.db2.gz YVGOEPCHSUXUAU-UHFFFAOYSA-N -1 1 293.754 3.150 20 0 CGADMM Cc1cccc(CC2CN(C(=O)c3cc(F)ccc3[O-])C2)c1 ZINC000085649230 541938239 /nfs/dbraw/zinc/93/82/39/541938239.db2.gz GHFUNNQQSCVPNO-UHFFFAOYSA-N -1 1 299.345 3.154 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccsc2)c(C)c1 ZINC000334174851 206143316 /nfs/dbraw/zinc/14/33/16/206143316.db2.gz CFVPGQWGHNXISG-UHFFFAOYSA-N -1 1 267.375 3.166 20 0 CGADMM C[C@H]1CC[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000331508743 374538490 /nfs/dbraw/zinc/53/84/90/374538490.db2.gz CLCTXRWEPIUYRD-WCBMZHEXSA-N -1 1 262.284 3.485 20 0 CGADMM CC[C@H](C)[C@@H](C)N(C(=O)c1ncc(C)cc1[O-])C1CC1 ZINC000331931243 374548861 /nfs/dbraw/zinc/54/88/61/374548861.db2.gz GUUHNNVQADKKMD-NWDGAFQWSA-N -1 1 276.380 3.135 20 0 CGADMM CC(C)CCSCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456795099 374627366 /nfs/dbraw/zinc/62/73/66/374627366.db2.gz SQHCMOPYAHHEGK-UHFFFAOYSA-N -1 1 289.347 3.388 20 0 CGADMM CC[C@@H](CN(CC)C(=O)c1cncc([O-])c1)c1ccccc1 ZINC000186435609 374850321 /nfs/dbraw/zinc/85/03/21/374850321.db2.gz LLCRHYRMIVYFAA-AWEZNQCLSA-N -1 1 298.386 3.443 20 0 CGADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000187458815 375025598 /nfs/dbraw/zinc/02/55/98/375025598.db2.gz USVHIHPCEHAJND-JOYOIKCWSA-N -1 1 267.756 3.306 20 0 CGADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000335105128 375134864 /nfs/dbraw/zinc/13/48/64/375134864.db2.gz PVQUWNIVXINJIB-RXMQYKEDSA-N -1 1 267.634 3.183 20 0 CGADMM CC(C)(C)c1csc(CN2CCC(C)(C(=O)[O-])CC2)n1 ZINC000094969413 541991804 /nfs/dbraw/zinc/99/18/04/541991804.db2.gz RXMSIQRVKVVLNJ-UHFFFAOYSA-N -1 1 296.436 3.127 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1occ2c1CCC2 ZINC000335901380 375524844 /nfs/dbraw/zinc/52/48/44/375524844.db2.gz YYIZPUYWRHJGDB-UHFFFAOYSA-N -1 1 277.707 3.380 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]2CCC[C@H]21 ZINC000336147252 375726497 /nfs/dbraw/zinc/72/64/97/375726497.db2.gz HRQKLHIASAONPM-BXKDBHETSA-N -1 1 265.740 3.060 20 0 CGADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000519399626 375836083 /nfs/dbraw/zinc/83/60/83/375836083.db2.gz XPPISNHTCNIVOE-WOPDTQHZSA-N -1 1 294.395 3.076 20 0 CGADMM CO[C@@H](C)c1nc(=N[C@H](C)CCC(C)(C)C)s[n-]1 ZINC000337872442 376245253 /nfs/dbraw/zinc/24/52/53/376245253.db2.gz OMXFVQHJQQNYEE-ZJUUUORDSA-N -1 1 271.430 3.294 20 0 CGADMM Cc1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)cn1 ZINC000340089371 376914347 /nfs/dbraw/zinc/91/43/47/376914347.db2.gz FJTMXUQFPQCRSC-UHFFFAOYSA-N -1 1 251.289 3.014 20 0 CGADMM Cc1ccc(F)c(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340327763 377001778 /nfs/dbraw/zinc/00/17/78/377001778.db2.gz DYFMWNZOGATSLK-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc(F)cc(F)c1 ZINC000340331316 377007778 /nfs/dbraw/zinc/00/77/78/377007778.db2.gz UCEBXTBBOMSZNB-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM O=c1cc(C2CC2)nc(SCCOC2CCCC2)[n-]1 ZINC000559376153 377085099 /nfs/dbraw/zinc/08/50/99/377085099.db2.gz XGEOPRNWZHBHBP-UHFFFAOYSA-N -1 1 280.393 3.111 20 0 CGADMM Cc1ccoc1CN[C@@](C)(CCc1ccccc1)C(=O)[O-] ZINC000340673379 377204789 /nfs/dbraw/zinc/20/47/89/377204789.db2.gz UWEVRMUKHKIQLY-KRWDZBQOSA-N -1 1 287.359 3.154 20 0 CGADMM CCc1ccc(-c2ccc(CN[C@@H](C)C(=O)[O-])o2)cc1 ZINC000340673627 377206861 /nfs/dbraw/zinc/20/68/61/377206861.db2.gz WMHOHCQCZRGNFE-NSHDSACASA-N -1 1 273.332 3.072 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\c3cscn3)n2)c(F)c1 ZINC000562555205 377329597 /nfs/dbraw/zinc/32/95/97/377329597.db2.gz DDBVJTNSSUGCHP-RJRFIUFISA-N -1 1 289.291 3.208 20 0 CGADMM CCN(Cc1c(Cl)cccc1C(=O)[O-])C1CC1 ZINC000563277602 377432380 /nfs/dbraw/zinc/43/23/80/377432380.db2.gz ITLIKJDPZFWGBI-UHFFFAOYSA-N -1 1 253.729 3.023 20 0 CGADMM C[C@H]1CC[C@H](C)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000088707516 249027211 /nfs/dbraw/zinc/02/72/11/249027211.db2.gz IRNIOWSKOCPHQI-UWVGGRQHSA-N -1 1 267.756 3.306 20 0 CGADMM C[C@@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000165674764 542172953 /nfs/dbraw/zinc/17/29/53/542172953.db2.gz MKKSTEJGPHWOEK-CQSZACIVSA-N -1 1 285.746 3.166 20 0 CGADMM Cc1ccoc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000314348287 249095345 /nfs/dbraw/zinc/09/53/45/249095345.db2.gz PKOUKDKULQUHTP-UHFFFAOYSA-N -1 1 281.311 3.377 20 0 CGADMM CCOc1ccc(CN(C)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000573928090 377594896 /nfs/dbraw/zinc/59/48/96/377594896.db2.gz UZRSMOHNBQLNAO-UHFFFAOYSA-N -1 1 289.331 3.009 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000252967242 377671650 /nfs/dbraw/zinc/67/16/50/377671650.db2.gz UEPBFGVMWKXIJR-HOMQSWHASA-N -1 1 267.756 3.354 20 0 CGADMM O=C([O-])c1coc(CN2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000574921709 377724536 /nfs/dbraw/zinc/72/45/36/377724536.db2.gz KXOAAOJVPKGKJY-OAHLLOKOSA-N -1 1 289.306 3.454 20 0 CGADMM CC(C)N(CC(=O)[O-])Cc1ccc(-c2ccc(F)cc2)o1 ZINC000263475569 377941651 /nfs/dbraw/zinc/94/16/51/377941651.db2.gz FHBGLGVHPAXVQX-UHFFFAOYSA-N -1 1 291.322 3.381 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(F)cc1Cl ZINC000263508257 377943045 /nfs/dbraw/zinc/94/30/45/377943045.db2.gz MNWVOAFZVLWHEZ-KOLCDFICSA-N -1 1 285.746 3.164 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCCCC(=O)C1 ZINC000577937038 378023413 /nfs/dbraw/zinc/02/34/13/378023413.db2.gz YYECXZHDHCDQHJ-VIFPVBQESA-N -1 1 297.301 3.148 20 0 CGADMM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000269927798 378283465 /nfs/dbraw/zinc/28/34/65/378283465.db2.gz JXUCKHVPAIQGPI-QMMMGPOBSA-N -1 1 292.310 3.268 20 0 CGADMM Cc1ccc(C(C)(C)C)cc1SCc1nn[n-]n1 ZINC000345306143 378251074 /nfs/dbraw/zinc/25/10/74/378251074.db2.gz FHSRMRBBNILHKN-UHFFFAOYSA-N -1 1 262.382 3.098 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000345334261 378259306 /nfs/dbraw/zinc/25/93/06/378259306.db2.gz QJSJUMGDRGKTNH-DTWKUNHWSA-N -1 1 253.729 3.420 20 0 CGADMM O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1cncc([O-])c1 ZINC000582317568 378303382 /nfs/dbraw/zinc/30/33/82/378303382.db2.gz XSZNJUKDLSMDDB-HOCLYGCPSA-N -1 1 296.370 3.243 20 0 CGADMM CN(Cc1cccc(C(=O)[O-])c1Cl)[C@H]1CC1(C)C ZINC000584534726 378392620 /nfs/dbraw/zinc/39/26/20/378392620.db2.gz BYOVMXSHOHOCHJ-NSHDSACASA-N -1 1 267.756 3.269 20 0 CGADMM CC(C)Cc1nsc([N-]c2cnn(CC3CC3)c2)n1 ZINC000185500921 542239731 /nfs/dbraw/zinc/23/97/31/542239731.db2.gz CRRGNTDLJXMXHL-UHFFFAOYSA-N -1 1 277.397 3.087 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)CC2CC2)c1 ZINC000272156566 378573910 /nfs/dbraw/zinc/57/39/10/378573910.db2.gz BIBOFVICPFLNHS-UHFFFAOYSA-N -1 1 284.153 3.202 20 0 CGADMM CCS[C@H]1CCCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000272296964 378606783 /nfs/dbraw/zinc/60/67/83/378606783.db2.gz VZZLVZOFIIATFQ-LBPRGKRZSA-N -1 1 297.395 3.279 20 0 CGADMM CC(C)c1nc(=NCCc2ccccc2C(F)(F)F)o[n-]1 ZINC000346867038 218041485 /nfs/dbraw/zinc/04/14/85/218041485.db2.gz ICQVFKYJJLAUNM-UHFFFAOYSA-N -1 1 299.296 3.288 20 0 CGADMM Cc1cc(C)c(CNCc2cc(C(=O)[O-])co2)cc1C ZINC000277080170 379062767 /nfs/dbraw/zinc/06/27/67/379062767.db2.gz WJLBLYZQXXDOLD-UHFFFAOYSA-N -1 1 273.332 3.193 20 0 CGADMM [O-]c1ccc(-c2noc(CC[C@@H]3CCCO3)n2)c(Cl)c1 ZINC000278073431 379289411 /nfs/dbraw/zinc/28/94/11/379289411.db2.gz FSJMSSNEWPORGV-JTQLQIEISA-N -1 1 294.738 3.207 20 0 CGADMM O=C([N-]C1(c2c(Cl)cccc2Cl)CC1)C(F)F ZINC000279279024 379416377 /nfs/dbraw/zinc/41/63/77/379416377.db2.gz XLEJPNKBKOPJSW-UHFFFAOYSA-N -1 1 280.101 3.364 20 0 CGADMM CSc1ccccc1CC(=O)Nc1ccc(F)cc1[O-] ZINC000347736442 218338376 /nfs/dbraw/zinc/33/83/76/218338376.db2.gz PADFSGFENCCTBX-UHFFFAOYSA-N -1 1 291.347 3.434 20 0 CGADMM CC(C)[C@@H](C)N(C)C(=O)N=c1[n-]sc2ccccc21 ZINC000640341111 379770131 /nfs/dbraw/zinc/77/01/31/379770131.db2.gz DWVUKFIKLBWTDU-SNVBAGLBSA-N -1 1 277.393 3.226 20 0 CGADMM CC(C)CCC(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000352532658 379845284 /nfs/dbraw/zinc/84/52/84/379845284.db2.gz UXEPUGVOUGLEFV-UHFFFAOYSA-N -1 1 293.317 3.152 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCCC(F)(F)C1 ZINC000282595206 379951390 /nfs/dbraw/zinc/95/13/90/379951390.db2.gz VVQDUYCXADGQAH-MRVPVSSYSA-N -1 1 273.254 3.295 20 0 CGADMM COc1cc(CSc2ncc(C)c(=O)[n-]2)ccc1C ZINC000641488946 380017392 /nfs/dbraw/zinc/01/73/92/380017392.db2.gz YALGLRVUFVJUOE-UHFFFAOYSA-N -1 1 276.361 3.100 20 0 CGADMM CC[C@]1(C)COCCN1Cc1cccc([O-])c1Cl ZINC000352960184 380057118 /nfs/dbraw/zinc/05/71/18/380057118.db2.gz CPBXCBKKOYKRLI-CQSZACIVSA-N -1 1 269.772 3.047 20 0 CGADMM O=C(CSc1nncc2ccccc21)c1ccc([O-])cc1 ZINC000641904756 380120405 /nfs/dbraw/zinc/12/04/05/380120405.db2.gz GAYVFNNSAXKWSV-UHFFFAOYSA-N -1 1 296.351 3.310 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000194780105 542277250 /nfs/dbraw/zinc/27/72/50/542277250.db2.gz PPDKONNWFHCIFA-UHFFFAOYSA-N -1 1 275.308 3.053 20 0 CGADMM CCOc1ccccc1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC000417671054 380664026 /nfs/dbraw/zinc/66/40/26/380664026.db2.gz PYZUOWDRPBWPKU-UHFFFAOYSA-N -1 1 299.370 3.382 20 0 CGADMM C[C@@H]1OCCC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289067827 197226905 /nfs/dbraw/zinc/22/69/05/197226905.db2.gz MBALHPCSSZIJDP-WCBMZHEXSA-N -1 1 294.738 3.378 20 0 CGADMM Cc1ncccc1N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000334909951 207277837 /nfs/dbraw/zinc/27/78/37/207277837.db2.gz NXZGOWZGKMLLRJ-UHFFFAOYSA-N -1 1 284.359 3.496 20 0 CGADMM CCN(C(=O)c1ccc(Br)cc1[O-])C1CCC1 ZINC000335384425 208329325 /nfs/dbraw/zinc/32/93/25/208329325.db2.gz QBUHRUBVAYZVKY-UHFFFAOYSA-N -1 1 298.180 3.169 20 0 CGADMM CCOC1(c2nc(-c3ccc([O-])cc3F)no2)CCCC1 ZINC000288998491 197209348 /nfs/dbraw/zinc/20/93/48/197209348.db2.gz GVCXXLHMJNHNBK-UHFFFAOYSA-N -1 1 292.310 3.387 20 0 CGADMM C[C@H](c1cccs1)N(C)Cc1ccoc1C(=O)[O-] ZINC000049727598 392059037 /nfs/dbraw/zinc/05/90/37/392059037.db2.gz SRAKSIQSENLHCF-SECBINFHSA-N -1 1 265.334 3.232 20 0 CGADMM O=C(Nc1cc(F)c(F)c(F)c1)c1ccccc1[O-] ZINC000061120400 392125501 /nfs/dbraw/zinc/12/55/01/392125501.db2.gz QFXZXEMLWARYLE-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM CN(CC1CCC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000061482300 392127806 /nfs/dbraw/zinc/12/78/06/392127806.db2.gz LFKMELLVGZYBQQ-UHFFFAOYSA-N -1 1 269.344 3.418 20 0 CGADMM CC[C@@H](C)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361794779 392323691 /nfs/dbraw/zinc/32/36/91/392323691.db2.gz BSERXIMIXIPVCU-SNVBAGLBSA-N -1 1 273.336 3.157 20 0 CGADMM COC(=O)c1c[n-]c(SCCCC2CCCC2)n1 ZINC000361996036 392383604 /nfs/dbraw/zinc/38/36/04/392383604.db2.gz MAJSWJXUPOLAGW-UHFFFAOYSA-N -1 1 268.382 3.259 20 0 CGADMM CCCCc1nc(CN2CCC(C)(C(=O)[O-])CC2)cs1 ZINC000647376073 392711754 /nfs/dbraw/zinc/71/17/54/392711754.db2.gz LXFCXXXIKXMKOO-UHFFFAOYSA-N -1 1 296.436 3.172 20 0 CGADMM CSc1ccc(Cl)c(C(=O)Nc2c(C)[n-][nH]c2=O)c1 ZINC000646409395 393280558 /nfs/dbraw/zinc/28/05/58/393280558.db2.gz HSYURDZQMDXIGL-UHFFFAOYSA-N -1 1 297.767 3.051 20 0 CGADMM CCc1cc(=O)[n-]c(SCCc2c(F)cccc2F)n1 ZINC000647120138 393342108 /nfs/dbraw/zinc/34/21/08/393342108.db2.gz CXTKGUYZTMYCBQ-UHFFFAOYSA-N -1 1 296.342 3.358 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2ccc([O-])c(F)c2)CC12CC=CC2 ZINC000649139658 393355154 /nfs/dbraw/zinc/35/51/54/393355154.db2.gz FWRHSDKXWOAFQY-OAHLLOKOSA-N -1 1 289.350 3.348 20 0 CGADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)C1CCC1 ZINC000442672815 393738449 /nfs/dbraw/zinc/73/84/49/393738449.db2.gz RNPPRWYMFKKASP-UHFFFAOYSA-N -1 1 283.755 3.069 20 0 CGADMM O=C(/C=C/c1cscn1)Nc1ccc([O-])c(Cl)c1 ZINC000492494448 393743888 /nfs/dbraw/zinc/74/38/88/393743888.db2.gz ZNTRJGSOFQCIMK-DUXPYHPUSA-N -1 1 280.736 3.154 20 0 CGADMM CC1=C[C@@H](C)CN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436995328 393718019 /nfs/dbraw/zinc/71/80/19/393718019.db2.gz AVMUFHKKKBLOFJ-SECBINFHSA-N -1 1 265.740 3.084 20 0 CGADMM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc([O-])cc1F ZINC000438625453 393728731 /nfs/dbraw/zinc/72/87/31/393728731.db2.gz XWCLPPIBWMMSAC-LLVKDONJSA-N -1 1 293.260 3.238 20 0 CGADMM Cc1ccc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)cn1 ZINC000445459184 393796675 /nfs/dbraw/zinc/79/66/75/393796675.db2.gz YJRZABVMZHLBRU-QPJJXVBHSA-N -1 1 297.289 3.455 20 0 CGADMM CC(C)CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445476723 393798512 /nfs/dbraw/zinc/79/85/12/393798512.db2.gz HMGRFQNVBMRYCG-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccc4c(c3)COC4)n2)cc1F ZINC000445477157 393799062 /nfs/dbraw/zinc/79/90/62/393799062.db2.gz MBEDQXNPFDTICI-UHFFFAOYSA-N -1 1 298.273 3.279 20 0 CGADMM CSc1n[nH]c(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)n1 ZINC000667619227 542898288 /nfs/dbraw/zinc/89/82/88/542898288.db2.gz WNLCZMVDFGRCCE-XYPYZODXSA-N -1 1 294.424 3.072 20 0 CGADMM CC[C@H]1CN(C(=O)c2c([O-])cccc2Cl)CCS1 ZINC000743800695 572684345 /nfs/dbraw/zinc/68/43/45/572684345.db2.gz GOSBKLBMWPIDIT-VIFPVBQESA-N -1 1 285.796 3.013 20 0 CGADMM O=C([N-]c1cnoc1)c1ccc(Oc2ccccc2)o1 ZINC000673989717 543261488 /nfs/dbraw/zinc/26/14/88/543261488.db2.gz LBJKGLHJOYHPLQ-UHFFFAOYSA-N -1 1 270.244 3.312 20 0 CGADMM C[C@H]1CN(Cc2ccc(Cl)c(F)c2)CC[C@H]1C(=O)[O-] ZINC000388614133 397690724 /nfs/dbraw/zinc/69/07/24/397690724.db2.gz HOQXJGRMLSGZAX-GXSJLCMTSA-N -1 1 285.746 3.022 20 0 CGADMM O=C(NC[C@@H]1CCCCC1(F)F)c1ccc([O-])c(F)c1 ZINC000650528309 397864032 /nfs/dbraw/zinc/86/40/32/397864032.db2.gz DMAPMCPWLKTLSA-JTQLQIEISA-N -1 1 287.281 3.087 20 0 CGADMM CC[C@@H](C(=O)[O-])N(C)Cc1c(F)cc(C)cc1Cl ZINC000650804321 397926152 /nfs/dbraw/zinc/92/61/52/397926152.db2.gz ABVIRSSXEJRTPH-LBPRGKRZSA-N -1 1 273.735 3.083 20 0 CGADMM O=C(Cc1cc(F)c(F)cc1F)Nc1c([O-])cccc1F ZINC000676051306 543379325 /nfs/dbraw/zinc/37/93/25/543379325.db2.gz VDAOVHDXOYNWDE-UHFFFAOYSA-N -1 1 299.223 3.130 20 0 CGADMM Cn1ncc2ccc(-c3nc4cccc(F)c4c(=O)[n-]3)cc21 ZINC000676559054 543404601 /nfs/dbraw/zinc/40/46/01/543404601.db2.gz XNEYSWCNNROSPO-UHFFFAOYSA-N -1 1 294.289 3.028 20 0 CGADMM Cc1nc(SCCCOC(C)(C)C)[n-]c(=O)c1C ZINC000679009176 543582048 /nfs/dbraw/zinc/58/20/48/543582048.db2.gz XIUOOKLZWLCJRI-UHFFFAOYSA-N -1 1 270.398 3.096 20 0 CGADMM Cc1ccoc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082193024 165168673 /nfs/dbraw/zinc/16/86/73/165168673.db2.gz IKCMLASLGWHFHJ-UHFFFAOYSA-N -1 1 251.669 3.199 20 0 CGADMM CC(C)(NC(=O)c1ccc(Cl)cc1[O-])c1nccs1 ZINC000116142935 287156145 /nfs/dbraw/zinc/15/61/45/287156145.db2.gz OZLQTLVBXWZBHY-UHFFFAOYSA-N -1 1 296.779 3.167 20 0 CGADMM CC(C)c1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1 ZINC000019263381 170763053 /nfs/dbraw/zinc/76/30/53/170763053.db2.gz PAMVRBZDPSQDEH-UHFFFAOYSA-N -1 1 290.388 3.193 20 0 CGADMM COc1ccc(C(=O)Nc2cccc3cccnc32)c([O-])c1 ZINC000020260149 171116181 /nfs/dbraw/zinc/11/61/81/171116181.db2.gz JGYVJQOZXWXAJH-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM C[C@@H](C1CC1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000035207609 172052522 /nfs/dbraw/zinc/05/25/22/172052522.db2.gz GLLHXEVQKDMDMM-NSHDSACASA-N -1 1 269.344 3.416 20 0 CGADMM CCCN(CC)C(=O)c1cc2ccccc2cc1[O-] ZINC000035221372 172063993 /nfs/dbraw/zinc/06/39/93/172063993.db2.gz QJEKCKBFVPXLML-UHFFFAOYSA-N -1 1 257.333 3.418 20 0 CGADMM CCCN(CCC(=O)[O-])Cc1c(F)cccc1Cl ZINC000077009758 177145092 /nfs/dbraw/zinc/14/50/92/177145092.db2.gz JFLPTJMQYDYVQI-UHFFFAOYSA-N -1 1 273.735 3.166 20 0 CGADMM CCc1c(C)sc2[n-]c([C@@H]3CC(CC)=NO3)nc(=O)c12 ZINC000078807327 177391234 /nfs/dbraw/zinc/39/12/34/177391234.db2.gz LRGHSLHWCSFLEX-JTQLQIEISA-N -1 1 291.376 3.083 20 0 CGADMM [O-]c1cccc(CN[C@H]2CCCC2(F)F)c1Cl ZINC000398191492 416544190 /nfs/dbraw/zinc/54/41/90/416544190.db2.gz ZOVJKEODRFJVQF-JTQLQIEISA-N -1 1 261.699 3.323 20 0 CGADMM C[C@H](C(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC000680218092 543691876 /nfs/dbraw/zinc/69/18/76/543691876.db2.gz WMHGBSGNWDVVBL-JTQLQIEISA-N -1 1 259.280 3.274 20 0 CGADMM CC[C@H]1C[C@H](CC(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679812722 543661337 /nfs/dbraw/zinc/66/13/37/543661337.db2.gz PBYKGDNTDOPLDQ-MNOVXSKESA-N -1 1 281.327 3.065 20 0 CGADMM CC1(NC(=O)c2c([O-])cccc2F)CCC(F)(F)CC1 ZINC000681243744 543776736 /nfs/dbraw/zinc/77/67/36/543776736.db2.gz VPYJJOQSJDQCOR-UHFFFAOYSA-N -1 1 287.281 3.229 20 0 CGADMM O=C(Nc1ccccc1Cl)c1ccc([O-])c(F)c1 ZINC000681014724 543756599 /nfs/dbraw/zinc/75/65/99/543756599.db2.gz JIYSIORTQZYMDZ-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(F)c(F)c1 ZINC000681016613 543756622 /nfs/dbraw/zinc/75/66/22/543756622.db2.gz VOWKAETYUYBRGO-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H]1c1ccccc1 ZINC000681017620 543757686 /nfs/dbraw/zinc/75/76/86/543757686.db2.gz ILAPIMSZUQROFD-CQSZACIVSA-N -1 1 271.291 3.119 20 0 CGADMM CCOc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681018844 543757713 /nfs/dbraw/zinc/75/77/13/543757713.db2.gz FZMUKTTWHJEFLB-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM CC(C)CN(C(=O)c1ccc([O-])c(F)c1)C(C)C ZINC000681037640 543759885 /nfs/dbraw/zinc/75/98/85/543759885.db2.gz MKNQVKXPOWKDAF-UHFFFAOYSA-N -1 1 253.317 3.038 20 0 CGADMM C[C@@H](CCC(C)(C)C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681048063 543760850 /nfs/dbraw/zinc/76/08/50/543760850.db2.gz OQAKMESTPPQPAQ-JTQLQIEISA-N -1 1 267.344 3.476 20 0 CGADMM CC(C)C[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681052802 543761500 /nfs/dbraw/zinc/76/15/00/543761500.db2.gz UPOBMABUJIUVAC-NSHDSACASA-N -1 1 265.328 3.040 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCCC12CCCCC2 ZINC000681059368 543762482 /nfs/dbraw/zinc/76/24/82/543762482.db2.gz OQGQRHZQFFWFPD-UHFFFAOYSA-N -1 1 277.339 3.470 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)CC12CCC2 ZINC000681067454 543763368 /nfs/dbraw/zinc/76/33/68/543763368.db2.gz XQKFMVQZVGMIAJ-LLVKDONJSA-N -1 1 277.339 3.184 20 0 CGADMM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335016895 287372442 /nfs/dbraw/zinc/37/24/42/287372442.db2.gz CHZFDPXAAYCWQL-RKDXNWHRSA-N -1 1 269.291 3.435 20 0 CGADMM O=C(NCC(F)(F)c1ccccc1)c1ccc([O-])c(F)c1 ZINC000682812445 543870919 /nfs/dbraw/zinc/87/09/19/543870919.db2.gz CFMNDLWIFWDRLA-UHFFFAOYSA-N -1 1 295.260 3.053 20 0 CGADMM CCc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)no1 ZINC000683076440 543893573 /nfs/dbraw/zinc/89/35/73/543893573.db2.gz XVOKOTWMSHHXFI-UHFFFAOYSA-N -1 1 281.699 3.240 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc([O-])c(F)c2)[C@H]1C ZINC000684615670 544020138 /nfs/dbraw/zinc/02/01/38/544020138.db2.gz AAFABEXMFQIUNO-MDZLAQPJSA-N -1 1 279.355 3.333 20 0 CGADMM CC1(C)CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684875013 544035091 /nfs/dbraw/zinc/03/50/91/544035091.db2.gz BFBSWPFMBDXINX-UHFFFAOYSA-N -1 1 287.281 3.283 20 0 CGADMM COc1ccc(C)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000132862072 287412052 /nfs/dbraw/zinc/41/20/52/287412052.db2.gz BOJJHBAGVKUBSD-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM CCSCC[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000135394122 287469048 /nfs/dbraw/zinc/46/90/48/287469048.db2.gz DKOBUKZELNUYPQ-VIFPVBQESA-N -1 1 287.812 3.307 20 0 CGADMM Cc1c(Cl)cccc1NC(=O)c1ccc(O)cc1[O-] ZINC000192643756 227243173 /nfs/dbraw/zinc/24/31/73/227243173.db2.gz CKJRKGOSPQFBRJ-UHFFFAOYSA-N -1 1 277.707 3.312 20 0 CGADMM CCN(CC(=O)[O-])Cc1ccc(-c2cccs2)cc1 ZINC000652465252 418971197 /nfs/dbraw/zinc/97/11/97/418971197.db2.gz FCZKKKGYKMHXCV-UHFFFAOYSA-N -1 1 275.373 3.322 20 0 CGADMM CCN(C(=O)c1ccc([O-])c(F)c1)[C@@H](C)C(C)C ZINC000655090553 419021405 /nfs/dbraw/zinc/02/14/05/419021405.db2.gz IGZAXQAHXKNHPQ-JTQLQIEISA-N -1 1 253.317 3.038 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)CCc2ccccc21 ZINC000652884292 418998625 /nfs/dbraw/zinc/99/86/25/418998625.db2.gz DSWVLMCKXQDUPE-LBPRGKRZSA-N -1 1 299.345 3.333 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2ccc3c[nH]nc3c2)[n-]1 ZINC000657258883 419238550 /nfs/dbraw/zinc/23/85/50/419238550.db2.gz XFTRDKGPNGJUDG-UHFFFAOYSA-N -1 1 298.371 3.228 20 0 CGADMM CCCc1cc(NC(=O)c2ccc3ccccc3c2[O-])n[nH]1 ZINC000319118703 262172396 /nfs/dbraw/zinc/17/23/96/262172396.db2.gz HYTXTPKMVHXGEP-UHFFFAOYSA-N -1 1 295.342 3.473 20 0 CGADMM C[C@H](C1CCC1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000325469712 270095036 /nfs/dbraw/zinc/09/50/36/270095036.db2.gz VFFIHRNWWUUVIM-SECBINFHSA-N -1 1 267.756 3.306 20 0 CGADMM CC[C@](C)(C(=O)[O-])N(Cc1nc(C)c(C)s1)CC1CC1 ZINC000521273195 270101626 /nfs/dbraw/zinc/10/16/26/270101626.db2.gz LSHPPJWEIHKSKB-OAHLLOKOSA-N -1 1 296.436 3.225 20 0 CGADMM C[C@@H]1[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)[C@H]1C1CC1 ZINC000528874145 270175134 /nfs/dbraw/zinc/17/51/34/270175134.db2.gz FVORLGHPKPDDSI-HAGUPOPPSA-N -1 1 265.740 3.276 20 0 CGADMM CCCS(=O)(=O)[N-]c1ccc(-c2cccc(C)c2)cn1 ZINC000530156466 270195056 /nfs/dbraw/zinc/19/50/56/270195056.db2.gz FCZBEAWONGASJL-UHFFFAOYSA-N -1 1 290.388 3.209 20 0 CGADMM CC1(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)CCCCC1 ZINC000124847893 276166774 /nfs/dbraw/zinc/16/67/74/276166774.db2.gz KZRVXERXHHYVGS-UHFFFAOYSA-N -1 1 290.289 3.123 20 0 CGADMM CC(C)c1csc2[nH]c(-c3ccc([O-])cn3)nc(=O)c12 ZINC000427448388 278068345 /nfs/dbraw/zinc/06/83/45/278068345.db2.gz IMMRAEQBALODAW-UHFFFAOYSA-N -1 1 287.344 3.288 20 0 CGADMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc2ccccc2c1[O-] ZINC000397688175 288027417 /nfs/dbraw/zinc/02/74/17/288027417.db2.gz XYXOIMCTCMHGFH-CLLJXQQHSA-N -1 1 267.328 3.074 20 0 CGADMM C[C@H]1CSC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000397826178 288031650 /nfs/dbraw/zinc/03/16/50/288031650.db2.gz BBUDGBAYRAACLL-IINYFYTJSA-N -1 1 287.384 3.027 20 0 CGADMM C[C@H]1[C@@H](C)N(C(=O)c2ccc(Cl)cc2[O-])C[C@H]1C ZINC000399559552 288052529 /nfs/dbraw/zinc/05/25/29/288052529.db2.gz LACZQSFERNWPGP-OPRDCNLKSA-N -1 1 267.756 3.162 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCC2(CCC2)C1 ZINC000163119475 280163097 /nfs/dbraw/zinc/16/30/97/280163097.db2.gz ONDGBAJDXKNXBW-UHFFFAOYSA-N -1 1 265.740 3.062 20 0 CGADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530004109 288280809 /nfs/dbraw/zinc/28/08/09/288280809.db2.gz BBYUDGPGBFLEDP-OTYXRUKQSA-N -1 1 251.301 3.152 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCC(F)(F)C1 ZINC000530006426 288282091 /nfs/dbraw/zinc/28/20/91/288282091.db2.gz RVQJXAGLVQDBRI-MRVPVSSYSA-N -1 1 273.254 3.295 20 0 CGADMM CCCc1nc(C)c(C(=O)Nc2cccc(F)c2[O-])o1 ZINC000530007092 288282483 /nfs/dbraw/zinc/28/24/83/288282483.db2.gz ZVRTVAUIKHVJTE-UHFFFAOYSA-N -1 1 278.283 3.033 20 0 CGADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(F)ccc1[O-] ZINC000094153448 288796102 /nfs/dbraw/zinc/79/61/02/288796102.db2.gz DUDJYATYTNETJJ-GYSYKLTISA-N -1 1 277.339 3.325 20 0 CGADMM O=C(Nc1cccc2cc[nH]c21)c1ccccc1[O-] ZINC000548517955 289011989 /nfs/dbraw/zinc/01/19/89/289011989.db2.gz ORIFPGMZSSNPJU-UHFFFAOYSA-N -1 1 252.273 3.126 20 0 CGADMM O=C(c1ncccc1[O-])N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000554549642 289290763 /nfs/dbraw/zinc/29/07/63/289290763.db2.gz LAQDSAPMMBTAGQ-MRXNPFEDSA-N -1 1 294.354 3.155 20 0 CGADMM C[C@H]1CCC[C@H](NC(=O)c2ccc([O-])cc2F)CC1 ZINC000189460385 290508593 /nfs/dbraw/zinc/50/85/93/290508593.db2.gz JODIIJQNKCJXKJ-QWRGUYRKSA-N -1 1 265.328 3.230 20 0 CGADMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccc([O-])cc1F ZINC000154928213 321753444 /nfs/dbraw/zinc/75/34/44/321753444.db2.gz VXRPKKIYCKLOKD-UKRRQHHQSA-N -1 1 277.339 3.230 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccsc2)nc1 ZINC000566358297 322117973 /nfs/dbraw/zinc/11/79/73/322117973.db2.gz GYQUWASJPCTDTL-CQSZACIVSA-N -1 1 288.372 3.178 20 0 CGADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H]1c1ccco1 ZINC000566360333 322118149 /nfs/dbraw/zinc/11/81/49/322118149.db2.gz VVDWWMQXJXBLLH-MNOVXSKESA-N -1 1 275.304 3.469 20 0 CGADMM Cc1cnc(SCCCc2ccccc2)[n-]c1=O ZINC000566497853 322126761 /nfs/dbraw/zinc/12/67/61/322126761.db2.gz MRPUMEDKOWSSMN-UHFFFAOYSA-N -1 1 260.362 3.216 20 0 CGADMM O=c1cc(C(F)F)nc(SCC[C@H]2CCCCO2)[n-]1 ZINC000567968557 322186465 /nfs/dbraw/zinc/18/64/65/322186465.db2.gz OTTBBZLBSLIUHY-MRVPVSSYSA-N -1 1 290.335 3.171 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1cccc(F)c1 ZINC000568772569 322222241 /nfs/dbraw/zinc/22/22/41/322222241.db2.gz XDFYJKKBRCWBAO-UHFFFAOYSA-N -1 1 291.322 3.311 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2c(F)ccc([O-])c2F)[C@H]1C ZINC000571206043 322292808 /nfs/dbraw/zinc/29/28/08/322292808.db2.gz IPOWWLUWNALJEL-VWYCJHECSA-N -1 1 297.345 3.473 20 0 CGADMM CCCCc1nc(CN2CCC[C@](C)(C(=O)[O-])C2)cs1 ZINC000571290255 322295108 /nfs/dbraw/zinc/29/51/08/322295108.db2.gz AJODWDRZJLMXKO-HNNXBMFYSA-N -1 1 296.436 3.172 20 0 CGADMM CCc1nc(SCCCCCF)[n-]c(=O)c1C ZINC000571940776 322312993 /nfs/dbraw/zinc/31/29/93/322312993.db2.gz ZJICGPQVINDXKP-UHFFFAOYSA-N -1 1 258.362 3.285 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H](OC)c2ccccc2)n1 ZINC000572493287 322340266 /nfs/dbraw/zinc/34/02/66/322340266.db2.gz GTUGGSHFKNHVNN-ZDUSSCGKSA-N -1 1 290.388 3.224 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1ccc(F)cn1 ZINC000192265373 335102114 /nfs/dbraw/zinc/10/21/14/335102114.db2.gz VWOJXVASEKCWCM-UHFFFAOYSA-N -1 1 281.674 3.224 20 0 CGADMM C[C@@H]1CN(C(=O)c2cncc([O-])c2)CC[C@H]1c1ccccc1 ZINC000174230123 335150803 /nfs/dbraw/zinc/15/08/03/335150803.db2.gz YMJIVKKLCWFBPS-CXAGYDPISA-N -1 1 296.370 3.053 20 0 CGADMM O=S(=O)(CCC1CCCC1)[N-]c1cccc(C2CC2)n1 ZINC000580619324 335303770 /nfs/dbraw/zinc/30/37/70/335303770.db2.gz QIHRFSAIKLKCOC-UHFFFAOYSA-N -1 1 294.420 3.281 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])co1)Cc1cccc(F)c1 ZINC000577521888 335364497 /nfs/dbraw/zinc/36/44/97/335364497.db2.gz RVTDPKOFGKFTKP-UHFFFAOYSA-N -1 1 277.295 3.139 20 0 CGADMM Cc1cnc(S[C@@H](C)c2nc(C(C)(C)C)no2)[n-]c1=O ZINC000577769463 335399920 /nfs/dbraw/zinc/39/99/20/335399920.db2.gz LYUPIRXJYZVVIG-QMMMGPOBSA-N -1 1 294.380 3.024 20 0 CGADMM CCc1nc(SCC(=O)CCC(C)C)[n-]c(=O)c1C ZINC000578454028 335635570 /nfs/dbraw/zinc/63/55/70/335635570.db2.gz NSHUHYFFPLMZHK-UHFFFAOYSA-N -1 1 282.409 3.150 20 0 CGADMM C[C@@]1(C(=O)[O-])CCN(Cc2csc(C3CCCC3)n2)C1 ZINC000581494723 336089802 /nfs/dbraw/zinc/08/98/02/336089802.db2.gz ZCUFLAIYVKORPE-OAHLLOKOSA-N -1 1 294.420 3.097 20 0 CGADMM CC(C)c1nc2cc(NC(=O)c3cncc([O-])c3)ccc2o1 ZINC000387094939 336185194 /nfs/dbraw/zinc/18/51/94/336185194.db2.gz SLZZAKYSBVUJMY-UHFFFAOYSA-N -1 1 297.314 3.304 20 0 CGADMM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000436956521 534114357 /nfs/dbraw/zinc/11/43/57/534114357.db2.gz MYMPKUYHJBZVOT-MGPLVRAMSA-N -1 1 285.318 3.195 20 0 CGADMM O=C(Nc1cccc2c1OCCC2)c1cc(F)ccc1[O-] ZINC000436581762 534369986 /nfs/dbraw/zinc/36/99/86/534369986.db2.gz GKVDAMZFQFLUKN-UHFFFAOYSA-N -1 1 287.290 3.109 20 0 CGADMM O=C(NCCc1cc2ccccc2o1)c1cc(F)ccc1[O-] ZINC000436537865 534444418 /nfs/dbraw/zinc/44/44/18/534444418.db2.gz PJXSCXBXJKAXOE-UHFFFAOYSA-N -1 1 299.301 3.250 20 0 CGADMM O=C(Nc1cnc2c(c1)CCCC2)c1ccc([O-])cc1F ZINC000436746911 534448599 /nfs/dbraw/zinc/44/85/99/534448599.db2.gz JDMRKVMFZJZSSM-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM O=C(Nc1cnc2c(c1)CCCC2)c1cc(F)ccc1[O-] ZINC000436745555 534448965 /nfs/dbraw/zinc/44/89/65/534448965.db2.gz CRCRKOICFQRAFM-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1c([O-])cccc1F ZINC000436837682 534627595 /nfs/dbraw/zinc/62/75/95/534627595.db2.gz IKQUYIJBYBIDKF-CQSZACIVSA-N -1 1 299.345 3.455 20 0 CGADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000048653047 524870204 /nfs/dbraw/zinc/87/02/04/524870204.db2.gz NYDSBYPAEDKWQP-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000412825661 526725901 /nfs/dbraw/zinc/72/59/01/526725901.db2.gz PQIPTEJLHXINCB-JSGCOSHPSA-N -1 1 279.355 3.476 20 0 CGADMM CCC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436764782 528172320 /nfs/dbraw/zinc/17/23/20/528172320.db2.gz NIBZXJXMLOVEET-INIZCTEOSA-N -1 1 297.354 3.233 20 0 CGADMM CCNc1cc(C)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000437002130 528426388 /nfs/dbraw/zinc/42/63/88/528426388.db2.gz QYRNMMRUFXFROC-UHFFFAOYSA-N -1 1 286.331 3.090 20 0 CGADMM CCC(CC)n1nccc1C(=O)Nc1ccc(F)cc1[O-] ZINC000436812331 528917050 /nfs/dbraw/zinc/91/70/50/528917050.db2.gz MCBKWIMZVLTYGO-UHFFFAOYSA-N -1 1 291.326 3.341 20 0 CGADMM CCS[C@H]1CCC[C@@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000436572168 529228924 /nfs/dbraw/zinc/22/89/24/529228924.db2.gz FQMXZJILKXUTPT-NEPJUHHUSA-N -1 1 297.395 3.325 20 0 CGADMM C[C@@H](c1cc(F)ccc1F)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173878 572403714 /nfs/dbraw/zinc/40/37/14/572403714.db2.gz GOXUAUJOTVGKHE-ISTVAULSSA-N -1 1 298.333 3.004 20 0 CGADMM Fc1ccc(F)c(Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737658756 572566574 /nfs/dbraw/zinc/56/65/74/572566574.db2.gz HZFJCKRBZRNEEA-UHFFFAOYSA-N -1 1 292.220 3.076 20 0 CGADMM Fc1ccc(F)c(Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737658756 572566576 /nfs/dbraw/zinc/56/65/76/572566576.db2.gz HZFJCKRBZRNEEA-UHFFFAOYSA-N -1 1 292.220 3.076 20 0 CGADMM O=C1N[C@@H](c2ccc([O-])c(Cl)c2)Nc2cc(F)ccc21 ZINC000742670378 572605455 /nfs/dbraw/zinc/60/54/55/572605455.db2.gz DCWJBLFHDMXYKG-ZDUSSCGKSA-N -1 1 292.697 3.039 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=C2CCCC2)c1 ZINC000744836328 572778536 /nfs/dbraw/zinc/77/85/36/572778536.db2.gz MKKKGANOFXSBKA-UHFFFAOYSA-N -1 1 288.343 3.181 20 0 CGADMM O=C([O-])CCCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000821517967 597785877 /nfs/dbraw/zinc/78/58/77/597785877.db2.gz JXESKNUJKCJBIW-CYBMUJFWSA-N -1 1 267.756 3.342 20 0 CGADMM Cc1ccccc1Oc1snc(Cl)c1-c1nn[n-]n1 ZINC000826307749 608169217 /nfs/dbraw/zinc/16/92/17/608169217.db2.gz VEEBUOONZDBDKR-UHFFFAOYSA-N -1 1 293.739 3.077 20 0 CGADMM CC(C)[C@H]1CCc2[n-]n([C@@H]3C[C@@H](C)O[C@@H](C)C3)c(=O)c2C1 ZINC000899361409 620665978 /nfs/dbraw/zinc/66/59/78/620665978.db2.gz VMMVERBBDNIYIF-AICCOOGYSA-N -1 1 292.423 3.213 20 0 CGADMM Cc1ccc(Cl)cc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000899362537 620669330 /nfs/dbraw/zinc/66/93/30/620669330.db2.gz WQEKNJQJIDMWGW-RNCFNFMXSA-N -1 1 262.740 3.397 20 0 CGADMM CC(C)(C)c1ncc(CN(CC(=O)[O-])C2CCCC2)s1 ZINC000833450452 604662096 /nfs/dbraw/zinc/66/20/96/604662096.db2.gz CPARGNFCFWLRMY-UHFFFAOYSA-N -1 1 296.436 3.270 20 0 CGADMM O=C([O-])[C@H]1CC12CCN(Cc1cccc(F)c1Cl)CC2 ZINC000405365045 604907296 /nfs/dbraw/zinc/90/72/96/604907296.db2.gz IVTRBESWKYYBMI-LLVKDONJSA-N -1 1 297.757 3.166 20 0 CGADMM C[C@@H]1Cc2ccccc2CN1Cc1ccc(NC(=O)[O-])nc1 ZINC000833839213 605607608 /nfs/dbraw/zinc/60/76/08/605607608.db2.gz SNRVSBDEBLJRFS-GFCCVEGCSA-N -1 1 297.358 3.118 20 0 CGADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])o1 ZINC000833604041 605704123 /nfs/dbraw/zinc/70/41/23/605704123.db2.gz CLQUTGFCDLAIMN-DTWKUNHWSA-N -1 1 291.269 3.141 20 0 CGADMM CCC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821020513 606213026 /nfs/dbraw/zinc/21/30/26/606213026.db2.gz COJZOCFAHXKZPK-CYBMUJFWSA-N -1 1 294.362 3.215 20 0 CGADMM CCC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821020513 606213028 /nfs/dbraw/zinc/21/30/28/606213028.db2.gz COJZOCFAHXKZPK-CYBMUJFWSA-N -1 1 294.362 3.215 20 0 CGADMM Cc1ccc(C(C)C)cc1Oc1cccc(-c2nnn[n-]2)n1 ZINC000826283442 607894860 /nfs/dbraw/zinc/89/48/60/607894860.db2.gz QZRXJRBWIUVBHP-UHFFFAOYSA-N -1 1 295.346 3.486 20 0 CGADMM Cc1ccc(C(C)C)cc1Oc1cccc(-c2nn[n-]n2)n1 ZINC000826283442 607894861 /nfs/dbraw/zinc/89/48/61/607894861.db2.gz QZRXJRBWIUVBHP-UHFFFAOYSA-N -1 1 295.346 3.486 20 0 CGADMM C[C@@H]1CC[C@H](Nc2cc(Cl)[n-]c(=O)n2)C[C@@H]1C ZINC000858482475 617623355 /nfs/dbraw/zinc/62/33/55/617623355.db2.gz ZBJCJBSQCZWKIU-VGMNWLOBSA-N -1 1 255.749 3.072 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@]2(C)C=CCC2)c1 ZINC000924414560 618596038 /nfs/dbraw/zinc/59/60/38/618596038.db2.gz YBNOTVSDJSADTO-KRWDZBQOSA-N -1 1 288.343 3.037 20 0 CGADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc(Cl)ccc1F ZINC000235358917 618771508 /nfs/dbraw/zinc/77/15/08/618771508.db2.gz AEGSGSNDHVZREA-NXEZZACHSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1ccc2c(c1)[C@H]([N-]C(=O)C(F)(F)F)CCC2 ZINC000179371152 618777324 /nfs/dbraw/zinc/77/73/24/618777324.db2.gz SMPHSYBZWULTNB-LLVKDONJSA-N -1 1 257.255 3.051 20 0 CGADMM Cc1oc(CN[C@@H](C)c2cccs2)cc1C(=O)[O-] ZINC000235523940 618806075 /nfs/dbraw/zinc/80/60/75/618806075.db2.gz XRSDZNCLSOBNCQ-QMMMGPOBSA-N -1 1 265.334 3.199 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)nc1 ZINC000160377586 618865936 /nfs/dbraw/zinc/86/59/36/618865936.db2.gz KSJDVMBQEWIRDS-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM Cc1c(NC(=O)c2ccccc2[O-])cccc1N(C)C ZINC000182996909 619041897 /nfs/dbraw/zinc/04/18/97/619041897.db2.gz BQFCIRGPCAHPFA-UHFFFAOYSA-N -1 1 270.332 3.019 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1nccc2ccccc21 ZINC000188356844 619250368 /nfs/dbraw/zinc/25/03/68/619250368.db2.gz DELDLSDIZSSGKA-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM Cc1nc(C2CCC2)sc1CC(=O)[N-]OC1CCCC1 ZINC000901328914 620856217 /nfs/dbraw/zinc/85/62/17/620856217.db2.gz JHWWQGWIJRJAKM-UHFFFAOYSA-N -1 1 294.420 3.252 20 0 CGADMM Cc1csc(C(C)(C)NCc2cc(C(=O)[O-])cs2)n1 ZINC000902143307 621168979 /nfs/dbraw/zinc/16/89/79/621168979.db2.gz HOGBARMZTUEYRE-UHFFFAOYSA-N -1 1 296.417 3.236 20 0 CGADMM Cc1cc(C)cc([C@H](C)NCc2cccc(C(=O)[O-])n2)c1 ZINC000902236782 621207018 /nfs/dbraw/zinc/20/70/18/621207018.db2.gz XUEYVHAGULMNGC-ZDUSSCGKSA-N -1 1 284.359 3.247 20 0 CGADMM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1NCC(F)(F)C(C)(C)C ZINC000902470902 621341262 /nfs/dbraw/zinc/34/12/62/621341262.db2.gz TTZUJQIIOCCVCF-MXWKQRLJSA-N -1 1 277.355 3.147 20 0 CGADMM CC[C@H](NCc1ccc(C(=O)[O-])s1)c1nc(C)cs1 ZINC000903678543 621787091 /nfs/dbraw/zinc/78/70/91/621787091.db2.gz OKXDFRPVHUNNFG-JTQLQIEISA-N -1 1 296.417 3.452 20 0 CGADMM CC[C@H](NCc1ccc(C(=O)[O-])s1)c1c(C)noc1C ZINC000903681146 621787784 /nfs/dbraw/zinc/78/77/84/621787784.db2.gz SOVZHBLJUHRDIV-NSHDSACASA-N -1 1 294.376 3.292 20 0 CGADMM CC(C)c1cnc(CN2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)o1 ZINC000903954008 621842228 /nfs/dbraw/zinc/84/22/28/621842228.db2.gz WRGYEOFVVSNDFI-FUTJPDQTSA-N -1 1 294.395 3.118 20 0 CGADMM CC[C@@H](NCC(C)=Cc1ccccc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064802 621862076 /nfs/dbraw/zinc/86/20/76/621862076.db2.gz MWXPSHHYMFGDPB-BRADTZPFSA-N -1 1 299.374 3.252 20 0 CGADMM COc1cnc(C=Cc2ccccc2C(C)C)[n-]c1=O ZINC000905076477 622037611 /nfs/dbraw/zinc/03/76/11/622037611.db2.gz IGSXMKCFDIFIJG-CMDGGOBGSA-N -1 1 270.332 3.485 20 0 CGADMM CCOc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)c(C)c1 ZINC000905076414 622037651 /nfs/dbraw/zinc/03/76/51/622037651.db2.gz GLEUGBYLRALBNZ-VURMDHGXSA-N -1 1 286.331 3.068 20 0 CGADMM O=C([O-])c1cc(CN[C@H]2CCCc3cccnc32)cs1 ZINC000905747523 622099379 /nfs/dbraw/zinc/09/93/79/622099379.db2.gz BEXPPPVHTJFBDL-LBPRGKRZSA-N -1 1 288.372 3.009 20 0 CGADMM Cc1cc(C)cc([C@@H](C)NCc2ccc(C(=O)[O-])cn2)c1 ZINC000905725474 622100388 /nfs/dbraw/zinc/10/03/88/622100388.db2.gz UJHVECNXEXDRSZ-CYBMUJFWSA-N -1 1 284.359 3.247 20 0 CGADMM Cc1noc(C(C)C)c1[N-]C(=O)c1ncoc1C(C)C ZINC000906274938 622206301 /nfs/dbraw/zinc/20/63/01/622206301.db2.gz BQLQINYSGMUHFR-UHFFFAOYSA-N -1 1 277.324 3.470 20 0 CGADMM CCS[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)C(C)C ZINC000909975529 622440272 /nfs/dbraw/zinc/44/02/72/622440272.db2.gz BDTZQLJNCQFKJP-GFCCVEGCSA-N -1 1 289.347 3.387 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C1=CCCCCC1 ZINC000909985318 622441967 /nfs/dbraw/zinc/44/19/67/622441967.db2.gz IOXLOWMBLKHUPF-UHFFFAOYSA-N -1 1 267.275 3.499 20 0 CGADMM Cc1noc(C2CC2)c1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986084 622443717 /nfs/dbraw/zinc/44/37/17/622443717.db2.gz YWQQTXISPVTAAB-UHFFFAOYSA-N -1 1 294.257 3.097 20 0 CGADMM CCC(C)(C)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909982339 622445199 /nfs/dbraw/zinc/44/51/99/622445199.db2.gz GNCVHHIKKLPPGU-UHFFFAOYSA-N -1 1 257.280 3.435 20 0 CGADMM COCC1(C(=O)Nc2cc([O-])c(F)cc2F)CCCCC1 ZINC000909989021 622445838 /nfs/dbraw/zinc/44/58/38/622445838.db2.gz OHOMJDQMQBLVDI-UHFFFAOYSA-N -1 1 299.317 3.206 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000910981225 622512440 /nfs/dbraw/zinc/51/24/40/622512440.db2.gz DXQZPAFCOZBCRH-GDGBQDQQSA-N -1 1 267.275 3.045 20 0 CGADMM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(F)cc(F)c2[O-])CCO1 ZINC000910983007 622512939 /nfs/dbraw/zinc/51/29/39/622512939.db2.gz OEXYXXPVONAWSN-GXSJLCMTSA-N -1 1 299.317 3.204 20 0 CGADMM CC(=O)[C@@H](C)CCCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910982870 622513166 /nfs/dbraw/zinc/51/31/66/622513166.db2.gz RQPROJLVDPUGLP-VIFPVBQESA-N -1 1 299.317 3.394 20 0 CGADMM CC(C)(C(=O)Nc1cc(F)cc(F)c1[O-])C(C)(F)F ZINC000910985731 622513345 /nfs/dbraw/zinc/51/33/45/622513345.db2.gz BXZRRSKOITVBGH-UHFFFAOYSA-N -1 1 279.233 3.290 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000057307858 622869430 /nfs/dbraw/zinc/86/94/30/622869430.db2.gz KHSAULYWKOQQGE-NXEZZACHSA-N -1 1 267.756 3.354 20 0 CGADMM Cc1ccccc1[C@@H](C)NCc1ccc(C(=O)[O-])o1 ZINC000071380400 625082886 /nfs/dbraw/zinc/08/28/86/625082886.db2.gz VBJZQPIGHJUKEF-LLVKDONJSA-N -1 1 259.305 3.137 20 0 CGADMM CCO[C@H](C(=O)Nc1c([O-])cccc1F)C1CCCC1 ZINC000867006978 626325743 /nfs/dbraw/zinc/32/57/43/626325743.db2.gz SBUJAPOYXYVNMW-AWEZNQCLSA-N -1 1 281.327 3.065 20 0 CGADMM CC[C@@]1(C)CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000759100004 626873924 /nfs/dbraw/zinc/87/39/24/626873924.db2.gz WVGZTDUZRZBPSR-AWEZNQCLSA-N -1 1 267.756 3.308 20 0 CGADMM CC(C)[C@@H](CC(=O)[N-]OCC(F)F)c1ccccc1 ZINC000759339575 626888888 /nfs/dbraw/zinc/88/88/88/626888888.db2.gz NFPZPXFILQEXDE-GFCCVEGCSA-N -1 1 271.307 3.129 20 0 CGADMM O=C(Nc1cc(Cl)c(O)cc1F)c1ccc(F)cc1[O-] ZINC000805258993 627126629 /nfs/dbraw/zinc/12/66/29/627126629.db2.gz NOHCRNWXUHXOJV-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM O=C(OCCc1ccccc1F)c1ccc([O-])cc1F ZINC000763246243 627146958 /nfs/dbraw/zinc/14/69/58/627146958.db2.gz UXGGSGZGBUPPTR-UHFFFAOYSA-N -1 1 278.254 3.070 20 0 CGADMM COC1CCC(N(C)C(=O)c2c([O-])cccc2Cl)CC1 ZINC000769859063 627583997 /nfs/dbraw/zinc/58/39/97/627583997.db2.gz LJIHVYXDVOKDQI-UHFFFAOYSA-N -1 1 297.782 3.075 20 0 CGADMM CC(C)c1nsc([N-]C(=O)c2ccc(Cl)o2)n1 ZINC000874697391 634596641 /nfs/dbraw/zinc/59/66/41/634596641.db2.gz MZEVOIHLAYJZHT-UHFFFAOYSA-N -1 1 271.729 3.160 20 0 CGADMM CC[C@H](CSC)N(C)C(=O)c1c([O-])cccc1Cl ZINC000773974536 627934160 /nfs/dbraw/zinc/93/41/60/627934160.db2.gz SWBNIEZNSHGINE-SECBINFHSA-N -1 1 287.812 3.259 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2csc(-c3cccs3)n2)S1 ZINC000874927314 634653039 /nfs/dbraw/zinc/65/30/39/634653039.db2.gz GTDQNSQAMCQYGL-XBXARRHUSA-N -1 1 294.382 3.196 20 0 CGADMM CCC(CC)CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047293 629179694 /nfs/dbraw/zinc/17/96/94/629179694.db2.gz CATKVSWFZBOANR-UHFFFAOYSA-N -1 1 256.733 3.205 20 0 CGADMM O=C(/C=C\c1ccsc1)Nc1nc(Cl)ccc1[O-] ZINC000790052337 629180435 /nfs/dbraw/zinc/18/04/35/629180435.db2.gz UYOGKJNFXJTNAM-RJRFIUFISA-N -1 1 280.736 3.154 20 0 CGADMM O=C(C[C@H]1C=CCCC1)Nc1nc(Cl)ccc1[O-] ZINC000790052510 629180472 /nfs/dbraw/zinc/18/04/72/629180472.db2.gz XTADMOIUXRHSNC-VIFPVBQESA-N -1 1 266.728 3.126 20 0 CGADMM CCc1ccc([C@H](C)C(=O)[N-]OC[C@H](C)CC)cc1 ZINC000794872854 629592968 /nfs/dbraw/zinc/59/29/68/629592968.db2.gz XNXLXPLCHRPAFM-OLZOCXBDSA-N -1 1 263.381 3.446 20 0 CGADMM Cc1cc(C(F)F)oc1C(=O)[N-]c1nc(C2CC2)no1 ZINC000863877695 629688879 /nfs/dbraw/zinc/68/88/79/629688879.db2.gz HSUQISNPMYRRLR-UHFFFAOYSA-N -1 1 283.234 3.038 20 0 CGADMM CC(C)=CC[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000864529635 629855847 /nfs/dbraw/zinc/85/58/47/629855847.db2.gz ZAXRVIIUZPTABD-AWEZNQCLSA-N -1 1 273.332 3.332 20 0 CGADMM Cc1nocc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000864970546 629972398 /nfs/dbraw/zinc/97/23/98/629972398.db2.gz RZZZILKGRJZGDL-UHFFFAOYSA-N -1 1 292.364 3.135 20 0 CGADMM C[C@H]1CC[C@H](C)N1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394577 634826700 /nfs/dbraw/zinc/82/67/00/634826700.db2.gz XWBRCWJWPCQVNT-UWVGGRQHSA-N -1 1 282.771 3.128 20 0 CGADMM CC(C)C(=O)c1ccc([C@H](C)C(=O)[N-]OC2CCC2)cc1 ZINC000812788619 631308976 /nfs/dbraw/zinc/30/89/76/631308976.db2.gz RLLXYQHEBYSMSQ-LBPRGKRZSA-N -1 1 289.375 3.229 20 0 CGADMM C[C@H](C(=O)[N-]OC1CCC1)c1cccc(Br)c1 ZINC000812791914 631310269 /nfs/dbraw/zinc/31/02/69/631310269.db2.gz DDANBRSWGVVYGB-VIFPVBQESA-N -1 1 298.180 3.153 20 0 CGADMM C[C@@H](C(=O)[N-]OC1CCC1)c1cccc(Br)c1 ZINC000812791913 631310294 /nfs/dbraw/zinc/31/02/94/631310294.db2.gz DDANBRSWGVVYGB-SECBINFHSA-N -1 1 298.180 3.153 20 0 CGADMM O=C(C[C@H]1CCC(F)(F)C1)Nc1ccc([O-])c(F)c1F ZINC000837085487 634852200 /nfs/dbraw/zinc/85/22/00/634852200.db2.gz BRDGJVLVCFQCNI-SSDOTTSWSA-N -1 1 291.244 3.434 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CCCCCCC1 ZINC000820195888 632586657 /nfs/dbraw/zinc/58/66/57/632586657.db2.gz UHWQQCIAUNXKIX-UHFFFAOYSA-N -1 1 284.359 3.347 20 0 CGADMM COc1cnc(C=CC(C)=Cc2ccccc2)[n-]c1=O ZINC000821009275 632711064 /nfs/dbraw/zinc/71/10/64/632711064.db2.gz YRELRASXQDATGX-CDKJVOIVSA-N -1 1 268.316 3.308 20 0 CGADMM O=C(CCc1cccc2ccccc21)[N-]OCC(F)(F)F ZINC000866733376 633237857 /nfs/dbraw/zinc/23/78/57/633237857.db2.gz NVBKVVPSPNRAFF-UHFFFAOYSA-N -1 1 297.276 3.383 20 0 CGADMM C[C@@](Cc1ccccc1)([N-]C(=O)C(F)(F)F)C1CC1 ZINC000837164543 634864422 /nfs/dbraw/zinc/86/44/22/634864422.db2.gz IANFRXSCOOGJJJ-ZDUSSCGKSA-N -1 1 271.282 3.076 20 0 CGADMM O=C([N-]Oc1ccccc1F)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000828984715 633675682 /nfs/dbraw/zinc/67/56/82/633675682.db2.gz GTUIHYPAQIULKM-ZSBIGDGJSA-N -1 1 263.312 3.062 20 0 CGADMM CC1(c2nc(-c3ccc([O-])cc3F)no2)CC(F)(F)C1 ZINC000871842500 633888280 /nfs/dbraw/zinc/88/82/80/633888280.db2.gz IPHHMZZKMOFCMU-UHFFFAOYSA-N -1 1 284.237 3.268 20 0 CGADMM CC1(C)CCc2c([n-]n(Cc3cccc(F)c3)c2=O)C1 ZINC000871945193 633922927 /nfs/dbraw/zinc/92/29/27/633922927.db2.gz KVFDXGRDVNAWDJ-CYBMUJFWSA-N -1 1 274.339 3.350 20 0 CGADMM CCc1[n-]n(-c2cccnc2Cl)c(=O)c1C(C)C ZINC000871952939 633925319 /nfs/dbraw/zinc/92/53/19/633925319.db2.gz VWIOTRIAPXJYKJ-LLVKDONJSA-N -1 1 265.744 3.120 20 0 CGADMM CCc1c(C(C)C)[n-]n(C[C@@H]2CCCC2(F)F)c1=O ZINC000871963696 633930332 /nfs/dbraw/zinc/93/03/32/633930332.db2.gz RNWBOXGJGSWKIP-WDEREUQCSA-N -1 1 272.339 3.302 20 0 CGADMM Cc1cc([C@@H]2CCCN2Cc2cc(C(=O)[O-])cs2)on1 ZINC000872156576 634067430 /nfs/dbraw/zinc/06/74/30/634067430.db2.gz CZHMLBZPRZVRFA-LBPRGKRZSA-N -1 1 292.360 3.080 20 0 CGADMM CCC(F)(F)C(=O)[N-]Cc1cc(F)c(Cl)cc1F ZINC000834719546 634227656 /nfs/dbraw/zinc/22/76/56/634227656.db2.gz IQOHQFIVMSKMFX-UHFFFAOYSA-N -1 1 283.652 3.280 20 0 CGADMM O=C(N[C@H]1CCSC2(CCC2)C1)c1ccc([O-])cc1F ZINC000834735821 634232332 /nfs/dbraw/zinc/23/23/32/634232332.db2.gz YRDFUDZSCBYHPI-JTQLQIEISA-N -1 1 295.379 3.079 20 0 CGADMM O=C(CC1CCSCC1)NCc1ccc([O-])c(Cl)c1 ZINC000834829189 634250620 /nfs/dbraw/zinc/25/06/20/634250620.db2.gz NSPUGFNTFDNYTN-UHFFFAOYSA-N -1 1 299.823 3.195 20 0 CGADMM C[C@H](CC(=O)NCc1ccc([O-])c(Cl)c1)n1cccc1 ZINC000834829724 634250648 /nfs/dbraw/zinc/25/06/48/634250648.db2.gz ZBZGNTCVNWRQCT-LLVKDONJSA-N -1 1 292.766 3.115 20 0 CGADMM CC[C@@H](C)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000834892014 634270031 /nfs/dbraw/zinc/27/00/31/634270031.db2.gz ABBODFJKSZLTEJ-SNVBAGLBSA-N -1 1 288.313 3.384 20 0 CGADMM O=C(OC[C@@H]1CCC(F)(F)C1)c1ccc([O-])cc1F ZINC000837611338 634949382 /nfs/dbraw/zinc/94/93/82/634949382.db2.gz IIPMHGHSCXOLAP-MRVPVSSYSA-N -1 1 274.238 3.124 20 0 CGADMM C[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)C1CCCCC1 ZINC000837612936 634949901 /nfs/dbraw/zinc/94/99/01/634949901.db2.gz QOSNUFFAZDSVJD-JTQLQIEISA-N -1 1 294.322 3.226 20 0 CGADMM CC(C)(C)c1cc(COC(=O)c2ccc([O-])cc2F)no1 ZINC000837613243 634950477 /nfs/dbraw/zinc/95/04/77/634950477.db2.gz SFVSRJCCGHSLEI-UHFFFAOYSA-N -1 1 293.294 3.174 20 0 CGADMM Cc1ccc2c(c1)C(=O)N[C@H](c1cccc([O-])c1Cl)N2 ZINC000877862054 635244163 /nfs/dbraw/zinc/24/41/63/635244163.db2.gz GDCCRKVNBLQENK-CQSZACIVSA-N -1 1 288.734 3.208 20 0 CGADMM COc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1F ZINC000127546728 635715238 /nfs/dbraw/zinc/71/52/38/635715238.db2.gz WUUUJXDGUHPRQN-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM C[C@H](C(=O)[N-]OC1CCCC1)c1ccc(Cl)cc1 ZINC000845915243 636118097 /nfs/dbraw/zinc/11/80/97/636118097.db2.gz PRFQYJDTSFQXIC-JTQLQIEISA-N -1 1 267.756 3.434 20 0 CGADMM O=C([O-])[C@H](c1ccsc1)N1CCc2c(F)cccc2C1 ZINC000846247107 636166399 /nfs/dbraw/zinc/16/63/99/636166399.db2.gz VATDHDVNEUHLNK-AWEZNQCLSA-N -1 1 291.347 3.071 20 0 CGADMM C=C/C=C\CCSc1nc(CC)c(C)c(=O)[n-]1 ZINC000882177226 636279268 /nfs/dbraw/zinc/27/92/68/636279268.db2.gz MJSGNBKXGYQSEW-SREVYHEPSA-N -1 1 250.367 3.277 20 0 CGADMM CCc1cccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000883955414 636888196 /nfs/dbraw/zinc/88/81/96/636888196.db2.gz NGTDMZACGMJCHU-UHFFFAOYSA-N -1 1 299.374 3.429 20 0 CGADMM CSCC[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000134799566 637038169 /nfs/dbraw/zinc/03/81/69/637038169.db2.gz KAHDYENSPPBWHB-NSHDSACASA-N -1 1 289.400 3.417 20 0 CGADMM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676466 637284509 /nfs/dbraw/zinc/28/45/09/637284509.db2.gz OJGPDQJFDAQIKM-IONNQARKSA-N -1 1 299.729 3.129 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCCSC1 ZINC000885678517 637284582 /nfs/dbraw/zinc/28/45/82/637284582.db2.gz RFPDPYUJLZFPOH-SSDOTTSWSA-N -1 1 289.759 3.266 20 0 CGADMM Cc1cccc2c1CCC[C@@H]2[N-]C(=O)C(F)(F)F ZINC000851705892 637468121 /nfs/dbraw/zinc/46/81/21/637468121.db2.gz XXVBXIKYKFYABE-NSHDSACASA-N -1 1 257.255 3.051 20 0 CGADMM C[C@@H](CCc1ccccc1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858310325 638676210 /nfs/dbraw/zinc/67/62/10/638676210.db2.gz UOBFJSBYXKPTQE-JTQLQIEISA-N -1 1 277.755 3.269 20 0 CGADMM C[C@@H](CCC(C)(C)C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858416562 638708911 /nfs/dbraw/zinc/70/89/11/638708911.db2.gz VPOMOAAEGGHLAC-QMMMGPOBSA-N -1 1 257.765 3.462 20 0 CGADMM CCS[C@H]1CCC[C@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858435292 638717300 /nfs/dbraw/zinc/71/73/00/638717300.db2.gz DOEYFMFXBQXDOY-IUCAKERBSA-N -1 1 287.816 3.312 20 0 CGADMM CCC[C@H](C)[C@H]1CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858450419 638722708 /nfs/dbraw/zinc/72/27/08/638722708.db2.gz HENORBDIUNYILU-VHSXEESVSA-N -1 1 269.776 3.241 20 0 CGADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858489248 638739326 /nfs/dbraw/zinc/73/93/26/638739326.db2.gz WZJIGFAHQPOWPR-RNFRBKRXSA-N -1 1 295.692 3.003 20 0 CGADMM O=c1nc(N[C@H]2C[C@H](c3cccc(F)c3)C2)cc(Cl)[n-]1 ZINC000858526354 638755231 /nfs/dbraw/zinc/75/52/31/638755231.db2.gz ZQCNNWYZRVOBIU-HOMQSWHASA-N -1 1 293.729 3.333 20 0 CGADMM C[C@@H]1C[C@@H](C(C)(C)C)CCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858548297 638759564 /nfs/dbraw/zinc/75/95/64/638759564.db2.gz STQFMHKZYFWPMR-ZJUUUORDSA-N -1 1 283.803 3.487 20 0 CGADMM CC1(C)CCC[C@@H](CNc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858564554 638762409 /nfs/dbraw/zinc/76/24/09/638762409.db2.gz PJZYKOVLSQOGFP-SECBINFHSA-N -1 1 269.776 3.464 20 0 CGADMM CC(C)[C@H]1N(c2cc(Cl)[n-]c(=O)n2)CC12CCCC2 ZINC000858565397 638762424 /nfs/dbraw/zinc/76/24/24/638762424.db2.gz OKEYEGJLNAKVTP-GFCCVEGCSA-N -1 1 281.787 3.241 20 0 CGADMM CCC[C@@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCC1 ZINC000858568015 638994986 /nfs/dbraw/zinc/99/49/86/638994986.db2.gz HLLWZVNMJONZFZ-SECBINFHSA-N -1 1 255.749 3.216 20 0 CGADMM C[C@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCC(F)(F)CC1 ZINC000858615466 639003284 /nfs/dbraw/zinc/00/32/84/639003284.db2.gz JUILOTPLAFARIO-ZETCQYMHSA-N -1 1 291.729 3.462 20 0 CGADMM O=C([O-])[C@@]1(F)CCN(Cc2ccc(C3CCCC3)cc2)C1 ZINC000859810492 639223218 /nfs/dbraw/zinc/22/32/18/639223218.db2.gz PIMUJOHFVGVVSA-QGZVFWFLSA-N -1 1 291.366 3.343 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1scnc1C1CC1 ZINC000188375294 640132798 /nfs/dbraw/zinc/13/27/98/640132798.db2.gz AYIGDAQYOKIKDY-UHFFFAOYSA-N -1 1 295.751 3.027 20 0 CGADMM Cc1cc([C@@H](C)NCc2ccc(C(=O)[O-])cn2)c(C)s1 ZINC000094760374 640802478 /nfs/dbraw/zinc/80/24/78/640802478.db2.gz ABXAGAYPITZBIH-SNVBAGLBSA-N -1 1 290.388 3.309 20 0 CGADMM CC(C)CN(C)Cc1cc([O-])c(Cl)c(F)c1F ZINC001250388189 805596456 /nfs/dbraw/zinc/59/64/56/805596456.db2.gz WCGQLRVJWDMABN-UHFFFAOYSA-N -1 1 263.715 3.412 20 0 CGADMM Cc1cc(F)cc2[nH]c(-c3ccc(C(=O)[O-])cc3)nc21 ZINC001250480337 805644005 /nfs/dbraw/zinc/64/40/05/805644005.db2.gz YKCUKSCFQUKOBN-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM [O-]c1c(F)cccc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC001250683484 805755012 /nfs/dbraw/zinc/75/50/12/805755012.db2.gz HOYWWJWETAQNTM-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCC=C(c2ccccc2)C1 ZINC001157422077 805811053 /nfs/dbraw/zinc/81/10/53/805811053.db2.gz RAWHOQLDEQGEAG-UHFFFAOYSA-N -1 1 297.329 3.461 20 0 CGADMM [O-]c1cc(-c2nc3c(cc(F)cc3F)[nH]2)ccc1F ZINC001251477449 805900647 /nfs/dbraw/zinc/90/06/47/805900647.db2.gz MDGFDOWVDBTXHL-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1ccc(C(F)(F)F)cc1[O-] ZINC001158945771 806025481 /nfs/dbraw/zinc/02/54/81/806025481.db2.gz JFHIRWIBKYPTIA-UBHAPETDSA-N -1 1 299.292 3.329 20 0 CGADMM COc1cccc(-c2nnc(-c3ccc(OC)cc3[O-])o2)c1 ZINC001253260402 806200359 /nfs/dbraw/zinc/20/03/59/806200359.db2.gz SXLJXUPNQRBUOV-UHFFFAOYSA-N -1 1 298.298 3.126 20 0 CGADMM C[C@H](C(=O)Nc1cc([O-])c(F)cc1F)c1cccs1 ZINC001160916053 806321882 /nfs/dbraw/zinc/32/18/82/806321882.db2.gz DWJKCVCHBGHROW-ZETCQYMHSA-N -1 1 283.299 3.474 20 0 CGADMM O=C([O-])c1ccc(CN2CCCCC2)c(C(F)(F)F)c1 ZINC000141456446 799044388 /nfs/dbraw/zinc/04/43/88/799044388.db2.gz VJFVAVJGHLAXNK-UHFFFAOYSA-N -1 1 287.281 3.390 20 0 CGADMM Cc1ccc([C@H](C)CNC(=O)c2ccc([O-])cc2F)cc1 ZINC000163890509 799083665 /nfs/dbraw/zinc/08/36/65/799083665.db2.gz QLYQKCORUIYODD-GFCCVEGCSA-N -1 1 287.334 3.373 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1CN1CCOc2ccccc2C1 ZINC000389912284 799466791 /nfs/dbraw/zinc/46/67/91/799466791.db2.gz UCHGVUPPNBBPKY-UHFFFAOYSA-N -1 1 297.354 3.088 20 0 CGADMM Cc1cc(CNCc2cc(C)cc(C)c2)oc1C(=O)[O-] ZINC000693181682 799808288 /nfs/dbraw/zinc/80/82/88/799808288.db2.gz AUAITQXZYVOXQT-UHFFFAOYSA-N -1 1 273.332 3.193 20 0 CGADMM O=C([O-])C[C@H]1CCCN1Cc1csc(C(F)(F)F)c1 ZINC000703282675 799922195 /nfs/dbraw/zinc/92/21/95/799922195.db2.gz CLJLCEWGJGPNBH-SECBINFHSA-N -1 1 293.310 3.206 20 0 CGADMM CCCCCCc1nnc(-c2cnc(SC)[n-]c2=O)o1 ZINC001256378330 806879293 /nfs/dbraw/zinc/87/92/93/806879293.db2.gz SMZALWLPYYYNAY-UHFFFAOYSA-N -1 1 294.380 3.077 20 0 CGADMM O=C(CC1CC(F)(F)C1)Nc1cc([O-])c(F)cc1F ZINC001119581375 802680325 /nfs/dbraw/zinc/68/03/25/802680325.db2.gz FKPULURUEZESJN-UHFFFAOYSA-N -1 1 277.217 3.044 20 0 CGADMM O=C(NCCCc1ccsc1)c1c(F)ccc([O-])c1F ZINC001181455271 810054087 /nfs/dbraw/zinc/05/40/87/810054087.db2.gz QMPSEVCEMBVECN-UHFFFAOYSA-N -1 1 297.326 3.095 20 0 CGADMM C[S@@](=N)(=O)c1ccc(-c2cc(F)c([O-])c(F)c2)cc1 ZINC001244096286 803183538 /nfs/dbraw/zinc/18/35/38/803183538.db2.gz GVEUXZYHVGMKLP-LJQANCHMSA-N -1 1 283.299 3.373 20 0 CGADMM Nc1noc2cc(-c3cc(F)c([O-])c(F)c3)ccc12 ZINC001244097117 803185109 /nfs/dbraw/zinc/18/51/09/803185109.db2.gz MSUIEAIDQYQVSZ-UHFFFAOYSA-N -1 1 262.215 3.061 20 0 CGADMM CN1CCOc2ccc(-c3cc(F)c([O-])c(F)c3)cc21 ZINC001244097942 803186532 /nfs/dbraw/zinc/18/65/32/803186532.db2.gz BCDVGHFTGUTGMW-UHFFFAOYSA-N -1 1 277.270 3.166 20 0 CGADMM Cc1cc(-c2ncnc3scnc32)cc(Cl)c1[O-] ZINC001244530599 803421618 /nfs/dbraw/zinc/42/16/18/803421618.db2.gz OTNWJDSUQUVKBQ-UHFFFAOYSA-N -1 1 277.736 3.421 20 0 CGADMM Cc1nc2ccc(-c3c(Cl)ccc([O-])c3F)nc2n1C ZINC001244537303 803424005 /nfs/dbraw/zinc/42/40/05/803424005.db2.gz BMLCPYZHQZBBBH-UHFFFAOYSA-N -1 1 291.713 3.442 20 0 CGADMM COC(=O)c1ccnc(-c2c(Cl)ccc([O-])c2F)c1C ZINC001244537329 803424459 /nfs/dbraw/zinc/42/44/59/803424459.db2.gz CIEOYHICSQFFCB-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COc1cc(-c2c(Cl)ccc([O-])c2F)ncc1F ZINC001244538518 803426545 /nfs/dbraw/zinc/42/65/45/803426545.db2.gz MHBPSFYECLYGBG-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cncc3cc(CO)oc32)c1F ZINC001244540518 803428021 /nfs/dbraw/zinc/42/80/21/803428021.db2.gz YEIHNQJPSSSVQQ-UHFFFAOYSA-N -1 1 293.681 3.485 20 0 CGADMM COC(=O)c1cnc(-c2c(Cl)ccc([O-])c2F)cc1F ZINC001244541098 803428457 /nfs/dbraw/zinc/42/84/57/803428457.db2.gz YEUQOYYVWFHVHP-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cc(-n3ccnc3)ccn2)c1F ZINC001244541113 803428682 /nfs/dbraw/zinc/42/86/82/803428682.db2.gz YSILIEVQDNSOCJ-UHFFFAOYSA-N -1 1 289.697 3.432 20 0 CGADMM Cn1cc(-c2c(Cl)ccc([O-])c2F)c2cc[nH]c2c1=O ZINC001244542698 803429026 /nfs/dbraw/zinc/42/90/26/803429026.db2.gz OVIVXRNQGZDNON-UHFFFAOYSA-N -1 1 292.697 3.032 20 0 CGADMM COC(=O)c1cncc(-c2c(Cl)ccc([O-])c2F)c1C ZINC001244541334 803429289 /nfs/dbraw/zinc/42/92/89/803429289.db2.gz BFYWGGGOADCKJN-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CN1C(=O)Cc2ccc(-c3c(Cl)ccc([O-])c3F)cc21 ZINC001244542097 803429437 /nfs/dbraw/zinc/42/94/37/803429437.db2.gz JXYKPVPWLOWZRK-UHFFFAOYSA-N -1 1 291.709 3.371 20 0 CGADMM O=C1NCc2c(cccc2-c2c(Cl)ccc([O-])c2F)N1 ZINC001244542690 803429867 /nfs/dbraw/zinc/42/98/67/803429867.db2.gz ONRHSQUWBZAICF-UHFFFAOYSA-N -1 1 292.697 3.487 20 0 CGADMM Cc1c(C(N)=O)cccc1-c1c(Cl)ccc([O-])c1F ZINC001244543814 803430408 /nfs/dbraw/zinc/43/04/08/803430408.db2.gz XWGMXAXHPQAKCA-UHFFFAOYSA-N -1 1 279.698 3.259 20 0 CGADMM O=C(Nc1cccc(O)c1)c1ccc2ccc(O)cc2c1[O-] ZINC001135388711 803592386 /nfs/dbraw/zinc/59/23/86/803592386.db2.gz DJVCYPLPFWTNTA-UHFFFAOYSA-N -1 1 295.294 3.209 20 0 CGADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001135443981 803597755 /nfs/dbraw/zinc/59/77/55/803597755.db2.gz GIZYODKVOQYFAS-JTQLQIEISA-N -1 1 259.280 3.022 20 0 CGADMM O=C(NCCCOC1CCCCC1)c1ccc(F)c([O-])c1 ZINC001135704818 803611162 /nfs/dbraw/zinc/61/11/62/803611162.db2.gz FATNJSNVEVQGMH-UHFFFAOYSA-N -1 1 295.354 3.001 20 0 CGADMM CCOC(=O)Cc1ccc(-c2cc(Cl)ccc2[O-])nc1 ZINC001245049312 803621988 /nfs/dbraw/zinc/62/19/88/803621988.db2.gz NBHLPQHVOMXILU-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1cnc(OCC2CC2)cn1 ZINC001245053196 803624189 /nfs/dbraw/zinc/62/41/89/803624189.db2.gz XGKXPWBNXCANDN-UHFFFAOYSA-N -1 1 276.723 3.291 20 0 CGADMM C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(F)c([O-])c1 ZINC001136152745 803633144 /nfs/dbraw/zinc/63/31/44/803633144.db2.gz HKIXBFRLDPVFAP-SECBINFHSA-N -1 1 291.347 3.352 20 0 CGADMM CC1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCCC1 ZINC001136412978 803642639 /nfs/dbraw/zinc/64/26/39/803642639.db2.gz ZYBUKNYIGGTICB-UHFFFAOYSA-N -1 1 287.281 3.474 20 0 CGADMM Clc1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1Cl ZINC001245097096 803642621 /nfs/dbraw/zinc/64/26/21/803642621.db2.gz DPGBNLQBSNUSNH-UHFFFAOYSA-N -1 1 292.129 3.236 20 0 CGADMM Clc1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1Cl ZINC001245097096 803642622 /nfs/dbraw/zinc/64/26/22/803642622.db2.gz DPGBNLQBSNUSNH-UHFFFAOYSA-N -1 1 292.129 3.236 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@H]2C(C)(C)C)c1 ZINC001137101346 803682600 /nfs/dbraw/zinc/68/26/00/803682600.db2.gz IHSWCTMTUYBWRO-AWEZNQCLSA-N -1 1 289.375 3.164 20 0 CGADMM Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc([O-])cn1 ZINC001138029643 803831630 /nfs/dbraw/zinc/83/16/30/803831630.db2.gz CJOXVHJBZHBWPJ-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1cc(Cl)ccc1F ZINC001138043912 803838353 /nfs/dbraw/zinc/83/83/53/803838353.db2.gz FBAYIKCRUNXLEL-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM [O-]c1ccc(F)c(-c2cncc(OC(F)F)n2)c1Cl ZINC001245830633 803985122 /nfs/dbraw/zinc/98/51/22/803985122.db2.gz QUCJWJCPSYJNBK-UHFFFAOYSA-N -1 1 290.628 3.243 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(-n3ccnn3)cc2)c1Cl ZINC001245832854 803988265 /nfs/dbraw/zinc/98/82/65/803988265.db2.gz OHCGPWWUALVETG-UHFFFAOYSA-N -1 1 289.697 3.432 20 0 CGADMM O=c1cc(CCC2CCCC2)[n-]n1-c1ccnc(F)c1 ZINC001245932082 804060847 /nfs/dbraw/zinc/06/08/47/804060847.db2.gz ODNHYTSLKPIMQC-UHFFFAOYSA-N -1 1 275.327 3.235 20 0 CGADMM Nc1ccc(-c2cc(=O)n(Cc3cccc(F)c3)[n-]2)cc1 ZINC001245935636 804065029 /nfs/dbraw/zinc/06/50/29/804065029.db2.gz FVRZTVNZQIVAFJ-UHFFFAOYSA-N -1 1 283.306 3.025 20 0 CGADMM O=c1cc(CC2CCC2)[n-]n1-c1ccc2cccnc2c1 ZINC001245937102 804066714 /nfs/dbraw/zinc/06/67/14/804066714.db2.gz KJPUBFAAWFUBAV-UHFFFAOYSA-N -1 1 279.343 3.469 20 0 CGADMM CCCCCc1cc(=O)n(-c2cc(OC)cc(OC)c2)[n-]1 ZINC001245942176 804075393 /nfs/dbraw/zinc/07/53/93/804075393.db2.gz ILGOGWZQVOJVOA-UHFFFAOYSA-N -1 1 290.363 3.328 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1cc(F)cc(Cl)c1 ZINC001245953582 804088304 /nfs/dbraw/zinc/08/83/04/804088304.db2.gz RBCUMHTZPLQNLV-UHFFFAOYSA-N -1 1 266.703 3.323 20 0 CGADMM Cc1[nH]c(CN2CCC[C@@H]3CCC[C@@H]32)c(C)c1C(=O)[O-] ZINC001140497670 804448818 /nfs/dbraw/zinc/44/88/18/804448818.db2.gz QGIJQQSKQWVSBQ-JSGCOSHPSA-N -1 1 276.380 3.094 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001140652721 804484501 /nfs/dbraw/zinc/48/45/01/804484501.db2.gz PAAIERSOXPVRAK-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CC(C)(C)c1nnc([N-]c2cc(Cl)ccc2N)o1 ZINC001212427060 815026299 /nfs/dbraw/zinc/02/62/99/815026299.db2.gz DZYRIWSYLUIKIS-UHFFFAOYSA-N -1 1 266.732 3.346 20 0 CGADMM CCc1cccc(N(C)C(=O)c2ccc(F)c([O-])c2)c1 ZINC001141893530 804678086 /nfs/dbraw/zinc/67/80/86/804678086.db2.gz KARFMMHTJOLMPP-UHFFFAOYSA-N -1 1 273.307 3.370 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2cccc3cccnc32)no1 ZINC001212480831 815034508 /nfs/dbraw/zinc/03/45/08/815034508.db2.gz LIFFNYIGSOGHCN-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001212480736 815034761 /nfs/dbraw/zinc/03/47/61/815034761.db2.gz GFFFVZIBCPPOAV-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM O=C(NC[C@H]1CC2CCC1CC2)c1ccc([O-])c(F)c1 ZINC001142971549 804790920 /nfs/dbraw/zinc/79/09/20/804790920.db2.gz JOCHQLKEKAJTNT-GCZXYKMCSA-N -1 1 277.339 3.087 20 0 CGADMM CC1(C)CCCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001248410601 804930694 /nfs/dbraw/zinc/93/06/94/804930694.db2.gz BSSCTADDHKTSHO-UHFFFAOYSA-N -1 1 296.798 3.377 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@H](CF)C(F)(F)C2)cc1F ZINC001144647181 805022051 /nfs/dbraw/zinc/02/20/51/805022051.db2.gz BTVZIRSHNWQQHV-SECBINFHSA-N -1 1 295.251 3.097 20 0 CGADMM COc1ccccc1CN(C)Cc1sccc1C(=O)[O-] ZINC001144670178 805030818 /nfs/dbraw/zinc/03/08/18/805030818.db2.gz GODXHQVZOPZVJH-UHFFFAOYSA-N -1 1 291.372 3.087 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCC(C2CCCCC2)CC1 ZINC001145095045 805063292 /nfs/dbraw/zinc/06/32/92/805063292.db2.gz QTXGZBHUXIYZRE-UHFFFAOYSA-N -1 1 288.391 3.220 20 0 CGADMM Cc1ccc(C[C@H](C)NC(=O)c2ncc(C)cc2[O-])c(C)c1 ZINC001146458222 805068445 /nfs/dbraw/zinc/06/84/45/805068445.db2.gz FKEBLEJEBMGNMP-AWEZNQCLSA-N -1 1 298.386 3.073 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c1 ZINC001146813364 805092348 /nfs/dbraw/zinc/09/23/48/805092348.db2.gz MIYAOKLJLISPAA-JVLSTEMRSA-N -1 1 289.375 3.068 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc2cccnc2c1[O-] ZINC001149314920 805228945 /nfs/dbraw/zinc/22/89/45/805228945.db2.gz PWRFZSMWWGCLNK-VXGBXAGGSA-N -1 1 284.359 3.344 20 0 CGADMM O=C([O-])c1c(F)ccc(CN2CC[C@H]3CCC[C@H]3C2)c1F ZINC001249764706 805238010 /nfs/dbraw/zinc/23/80/10/805238010.db2.gz WQGNCIUEENIIII-MNOVXSKESA-N -1 1 295.329 3.285 20 0 CGADMM Cc1cccc([C@@H](NC(=O)c2cncc([O-])c2)C(C)C)c1 ZINC001150929736 805275435 /nfs/dbraw/zinc/27/54/35/805275435.db2.gz YYIUUFQZGCUMFN-INIZCTEOSA-N -1 1 284.359 3.223 20 0 CGADMM O=C(/C=C/COc1ccccc1)Nc1cccc(F)c1[O-] ZINC001151779390 805312609 /nfs/dbraw/zinc/31/26/09/805312609.db2.gz AOCRNTFKTURHLV-BJMVGYQFSA-N -1 1 287.290 3.105 20 0 CGADMM CN(C)c1cncc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249960360 805326467 /nfs/dbraw/zinc/32/64/67/805326467.db2.gz CZUYJYJTGPSOPQ-UHFFFAOYSA-N -1 1 283.253 3.014 20 0 CGADMM [O-]c1cc(Nc2ccnc(F)c2)c(F)c(F)c1F ZINC001249959171 805327432 /nfs/dbraw/zinc/32/74/32/805327432.db2.gz UBZPLJHWZGMWGC-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM Cn1ncc2ccc(Nc3cc([O-])c(F)c(F)c3F)cc21 ZINC001249963013 805330783 /nfs/dbraw/zinc/33/07/83/805330783.db2.gz PNBYZQHRTRREPD-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM COc1ccc(CO)cc1Nc1cc([O-])c(F)c(F)c1F ZINC001249964381 805333028 /nfs/dbraw/zinc/33/30/28/805333028.db2.gz BZLQUXPDRRBBJW-UHFFFAOYSA-N -1 1 299.248 3.054 20 0 CGADMM [O-]c1ccc(Cl)c(Nc2ccc3nncn3c2)c1Cl ZINC001250008716 805363346 /nfs/dbraw/zinc/36/33/46/805363346.db2.gz YLDXCYWHUBTDBT-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM Cc1ccnc(F)c1Nc1ccc(F)c(F)c1[O-] ZINC001212560528 815069948 /nfs/dbraw/zinc/06/99/48/815069948.db2.gz VIGJOLQSFQOZHZ-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM Nc1ccc2cnn(-c3cc(Cl)c([O-])cc3F)c2c1 ZINC001250022608 805374070 /nfs/dbraw/zinc/37/40/70/805374070.db2.gz OZZYATNSYSYYGG-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM CCOc1cc(Nc2cc(Cl)c([O-])cc2F)no1 ZINC001250023676 805374795 /nfs/dbraw/zinc/37/47/95/805374795.db2.gz VHVUUFATTCPVCL-UHFFFAOYSA-N -1 1 272.663 3.315 20 0 CGADMM CCC[C@@H](C)CCNC(=O)c1cc(F)ccc1[O-] ZINC001153630942 805408077 /nfs/dbraw/zinc/40/80/77/805408077.db2.gz NGTFOZYNUJCHLB-SNVBAGLBSA-N -1 1 253.317 3.087 20 0 CGADMM Cc1cc(F)ccc1[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC001154406123 805455172 /nfs/dbraw/zinc/45/51/72/805455172.db2.gz HFKDDHPAZFHZEI-SNVBAGLBSA-N -1 1 291.297 3.470 20 0 CGADMM CSc1nc(Nc2ccc(Cl)c(O)c2)cc(=O)[n-]1 ZINC001212589338 815078828 /nfs/dbraw/zinc/07/88/28/815078828.db2.gz GJXWZNXVTSEFRD-UHFFFAOYSA-N -1 1 283.740 3.007 20 0 CGADMM CC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1C ZINC001154795067 805488465 /nfs/dbraw/zinc/48/84/65/805488465.db2.gz ZUQUGLXVLYQGRD-NXEZZACHSA-N -1 1 267.756 3.306 20 0 CGADMM CCOc1cnc(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250229019 805504300 /nfs/dbraw/zinc/50/43/00/805504300.db2.gz RUYAITDRFILFQG-UHFFFAOYSA-N -1 1 283.690 3.117 20 0 CGADMM [O-]c1ccc(F)c(Nc2nccnc2Cl)c1Cl ZINC001250228152 805504541 /nfs/dbraw/zinc/50/45/41/805504541.db2.gz NLVOQENWYZYXKL-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM CCn1ncc(Nc2c(F)ccc([O-])c2Cl)c1C ZINC001250228155 805504655 /nfs/dbraw/zinc/50/46/55/805504655.db2.gz NOFPPENVPPLJBF-UHFFFAOYSA-N -1 1 269.707 3.453 20 0 CGADMM [O-]c1ccc(F)c(Nc2noc3cccnc32)c1Cl ZINC001250227998 805505562 /nfs/dbraw/zinc/50/55/62/805505562.db2.gz GQXXVWDSMRNNRX-UHFFFAOYSA-N -1 1 279.658 3.465 20 0 CGADMM [O-]c1ccc(F)c(Nc2cn(CCF)cn2)c1Cl ZINC001250233967 805508332 /nfs/dbraw/zinc/50/83/32/805508332.db2.gz HPXWHQLEORUYHC-UHFFFAOYSA-N -1 1 273.670 3.094 20 0 CGADMM O=C1NCc2c1cccc2Nc1c(F)ccc([O-])c1Cl ZINC001250234737 805509432 /nfs/dbraw/zinc/50/94/32/805509432.db2.gz WIRHQMJEPDRHLZ-UHFFFAOYSA-N -1 1 292.697 3.172 20 0 CGADMM CC(C)CCC[C@@H](C)NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269392 805565012 /nfs/dbraw/zinc/56/50/12/805565012.db2.gz DETJYTGUJKYCGA-LLVKDONJSA-N -1 1 289.379 3.213 20 0 CGADMM CC[C@H]1CCC[C@@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001165800057 807020388 /nfs/dbraw/zinc/02/03/88/807020388.db2.gz HOTRCGRUEBPTNG-GWCFXTLKSA-N -1 1 251.301 3.062 20 0 CGADMM CCCCCC(CCCCC)[NH2+]CCP(=O)([O-])[O-] ZINC001257549694 807195511 /nfs/dbraw/zinc/19/55/11/807195511.db2.gz CFUVMQOMOUVLQY-UHFFFAOYSA-N -1 1 279.361 3.283 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2cccc3occc32)no1 ZINC001212722699 815114997 /nfs/dbraw/zinc/11/49/97/815114997.db2.gz WESKDUGZLBIKKP-UHFFFAOYSA-N -1 1 279.255 3.250 20 0 CGADMM COc1ccc(-c2nnc(Cc3ccccc3C)o2)c([O-])c1 ZINC001258375734 807431522 /nfs/dbraw/zinc/43/15/22/807431522.db2.gz IHYXTGGPFUEXFG-UHFFFAOYSA-N -1 1 296.326 3.350 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cccnc1C1CC1 ZINC001212738083 815119382 /nfs/dbraw/zinc/11/93/82/815119382.db2.gz SPMAQRFVUVXMEO-UHFFFAOYSA-N -1 1 261.712 3.457 20 0 CGADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@H](C)CC1CC1 ZINC001258457479 807462943 /nfs/dbraw/zinc/46/29/43/807462943.db2.gz IDFJLRSMCKWQED-LLVKDONJSA-N -1 1 271.364 3.487 20 0 CGADMM Cc1cc(Cl)nc([N-]S(=O)(=O)C2CCCCC2)c1 ZINC001259808882 807688031 /nfs/dbraw/zinc/68/80/31/807688031.db2.gz KIJYDKKRLJSSLP-UHFFFAOYSA-N -1 1 288.800 3.118 20 0 CGADMM O=S(=O)([N-]c1ccc(C(F)F)cn1)C1CCCCC1 ZINC001259809963 807689121 /nfs/dbraw/zinc/68/91/21/807689121.db2.gz OAUMBIVQNCJZBP-UHFFFAOYSA-N -1 1 290.335 3.094 20 0 CGADMM CC(C)CS(=O)(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001259884447 807691407 /nfs/dbraw/zinc/69/14/07/807691407.db2.gz CGDCOHUCHBEURB-UHFFFAOYSA-N -1 1 298.191 3.097 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1cccc2c(C)ccnc12 ZINC001260741936 807704654 /nfs/dbraw/zinc/70/46/54/807704654.db2.gz TYGMIXPQALQYPC-LLVKDONJSA-N -1 1 278.377 3.083 20 0 CGADMM CCCCCC[C@H](CC)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170587732 807860092 /nfs/dbraw/zinc/86/00/92/807860092.db2.gz RCRZSGSBYBQBGM-JTQLQIEISA-N -1 1 277.372 3.219 20 0 CGADMM c1coc(-c2nnc([N-]c3ccc(-c4ncc[nH]4)cc3)o2)c1 ZINC001213085701 815228615 /nfs/dbraw/zinc/22/86/15/815228615.db2.gz SGEQVGGGONZWGF-UHFFFAOYSA-N -1 1 293.286 3.463 20 0 CGADMM COc1ccc(OC)c([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001173917154 808759225 /nfs/dbraw/zinc/75/92/25/808759225.db2.gz WRTVWAQWOWUBDT-UHFFFAOYSA-N -1 1 277.324 3.128 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cccc(F)c1F ZINC001173945574 808776690 /nfs/dbraw/zinc/77/66/90/808776690.db2.gz DTZAZZWLMDDJRK-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM [O-]c1c(Nc2ccc3c(c2)CCO3)ccc(F)c1F ZINC001174011232 808820828 /nfs/dbraw/zinc/82/08/28/808820828.db2.gz BIYOPSIODYFWGI-UHFFFAOYSA-N -1 1 263.243 3.349 20 0 CGADMM Cc1nnc([N-]c2ccc(C(=O)OC(C)(C)C)cc2)o1 ZINC001174426403 809016236 /nfs/dbraw/zinc/01/62/36/809016236.db2.gz TUECLZZHRCZMNJ-UHFFFAOYSA-N -1 1 275.308 3.077 20 0 CGADMM COc1ccnc(-c2nc(-c3ccc(C)c(C)c3)no2)c1[O-] ZINC001213324093 815265376 /nfs/dbraw/zinc/26/53/76/815265376.db2.gz HZIGKRXEBBLBSS-UHFFFAOYSA-N -1 1 297.314 3.130 20 0 CGADMM Cc1ccc(Nc2cc(F)c([O-])cc2F)cc1N ZINC001174939225 809208997 /nfs/dbraw/zinc/20/89/97/809208997.db2.gz VUOLDZZUPWOUTQ-UHFFFAOYSA-N -1 1 250.248 3.305 20 0 CGADMM COc1cc(Nc2ccnc(Cl)c2[O-])cc(OC)c1 ZINC001175108454 809274860 /nfs/dbraw/zinc/27/48/60/809274860.db2.gz YOKMRDNIUFODNZ-UHFFFAOYSA-N -1 1 280.711 3.201 20 0 CGADMM CC(=O)c1ncccc1Nc1c(F)ccc([O-])c1F ZINC001175266710 809331791 /nfs/dbraw/zinc/33/17/91/809331791.db2.gz XRFKGJONBWSDBE-UHFFFAOYSA-N -1 1 264.231 3.012 20 0 CGADMM O=C(NCc1ccc(Cl)cc1Cl)c1ncccc1[O-] ZINC001289987711 809397899 /nfs/dbraw/zinc/39/78/99/809397899.db2.gz FALDJRPHAJPJJK-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM Cn1ncc2cc(Nc3ccc(F)c(F)c3[O-])ccc21 ZINC001175422484 809399721 /nfs/dbraw/zinc/39/97/21/809399721.db2.gz OAUGOMKVFIJTTB-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM O=C([N-]c1nc2ccccc2s1)c1cc(Cl)no1 ZINC001290283666 809405493 /nfs/dbraw/zinc/40/54/93/809405493.db2.gz XDTOVPDFOQRYJC-UHFFFAOYSA-N -1 1 279.708 3.190 20 0 CGADMM CC(C)CCCCCCNC(=O)c1ccc([O-])cn1 ZINC001290693331 809413223 /nfs/dbraw/zinc/41/32/23/809413223.db2.gz APRXTJHNGHXHPX-UHFFFAOYSA-N -1 1 264.369 3.124 20 0 CGADMM Cc1sccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001290777003 809415822 /nfs/dbraw/zinc/41/58/22/809415822.db2.gz DCBAVZIOABMILA-UHFFFAOYSA-N -1 1 299.355 3.405 20 0 CGADMM CC(C)(C)/C=C/Nc1cc2ccc([O-])cc2oc1=O ZINC001175572025 809455361 /nfs/dbraw/zinc/45/53/61/809455361.db2.gz HAENQFIXAJKFGU-VOTSOKGWSA-N -1 1 259.305 3.470 20 0 CGADMM [O-]c1cc(Nc2cccc3c[nH]nc32)cc(F)c1F ZINC001175639501 809484961 /nfs/dbraw/zinc/48/49/61/809484961.db2.gz LYYGVPIBWHMYHR-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001296729337 809508644 /nfs/dbraw/zinc/50/86/44/809508644.db2.gz OYRBZBPGARSAJD-OLZOCXBDSA-N -1 1 276.380 3.122 20 0 CGADMM C[C@H]1CC[C@@H](CNC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001297382978 809517335 /nfs/dbraw/zinc/51/73/35/809517335.db2.gz YWOSRYKUCLFBKZ-NWDGAFQWSA-N -1 1 284.359 3.106 20 0 CGADMM Cc1coc(C)c1C(=O)Nc1ccc([O-])c(F)c1F ZINC001297821956 809523330 /nfs/dbraw/zinc/52/33/30/809523330.db2.gz VWFBMHVOHXDXBK-UHFFFAOYSA-N -1 1 267.231 3.133 20 0 CGADMM [O-]c1cc(Nc2cnn(C3CCC3)c2)cc(F)c1F ZINC001175758233 809534334 /nfs/dbraw/zinc/53/43/34/809534334.db2.gz CVHBESBSRUQIPY-UHFFFAOYSA-N -1 1 265.263 3.336 20 0 CGADMM CC1(C2CC2)CCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001298722338 809537844 /nfs/dbraw/zinc/53/78/44/809537844.db2.gz MHTBMJWHQGGQSS-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM CC[C@H](NC(=O)c1cccc([O-])c1F)[C@H]1CC1(C)C ZINC001299550190 809551700 /nfs/dbraw/zinc/55/17/00/809551700.db2.gz IBLLFQHHUPRSSJ-MNOVXSKESA-N -1 1 265.328 3.086 20 0 CGADMM C[C@@H]1CCCCN1NC(=O)c1cc2ccccc2cc1[O-] ZINC001300110835 809562273 /nfs/dbraw/zinc/56/22/73/809562273.db2.gz QUEDMEQVHZFHIR-GFCCVEGCSA-N -1 1 284.359 3.065 20 0 CGADMM Cc1nc(Cl)ccc1C(=O)Nc1cccc(F)c1[O-] ZINC001302485907 809595376 /nfs/dbraw/zinc/59/53/76/809595376.db2.gz OAHGWHZIBPAOBT-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM CN(Cc1ccc2cc[nH]c2c1)C(=O)c1ccc([O-])c(F)c1 ZINC001302876222 809602588 /nfs/dbraw/zinc/60/25/88/809602588.db2.gz GIHJRCUOEHDVSH-UHFFFAOYSA-N -1 1 298.317 3.285 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cccc2c1OCC2 ZINC001176076352 809616224 /nfs/dbraw/zinc/61/62/24/809616224.db2.gz NEXNYSZTBFJPSP-UHFFFAOYSA-N -1 1 263.243 3.349 20 0 CGADMM COc1nonc1[N-]c1cc(Cl)cc(Cl)c1 ZINC001176571008 809719393 /nfs/dbraw/zinc/71/93/93/809719393.db2.gz TYWFAPSBNJAUIG-UHFFFAOYSA-N -1 1 260.080 3.129 20 0 CGADMM CCOc1cccnc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663226 809736916 /nfs/dbraw/zinc/73/69/16/809736916.db2.gz CZSXVTWQCUUVOL-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)cn1 ZINC001176661643 809737034 /nfs/dbraw/zinc/73/70/34/809737034.db2.gz BBFBGCDWRHCWQW-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM COc1cncc(Nc2c(F)cc(F)c([O-])c2F)c1C ZINC001176663113 809737492 /nfs/dbraw/zinc/73/74/92/809737492.db2.gz BHMOHVVBLMAROE-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc(F)nc2)c1F ZINC001176663918 809737958 /nfs/dbraw/zinc/73/79/58/809737958.db2.gz OBMOCIPSPBJYOR-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM COc1ccc(N)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176671973 809739393 /nfs/dbraw/zinc/73/93/93/809739393.db2.gz QGPSNXGZQWOWBO-UHFFFAOYSA-N -1 1 284.237 3.144 20 0 CGADMM CC=C(C)C=CC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001178506993 809871460 /nfs/dbraw/zinc/87/14/60/809871460.db2.gz CEPXQKMKMSIPFO-LKIWZNJYSA-N -1 1 283.331 3.039 20 0 CGADMM CCc1cccc(C(=O)Nc2cc(F)c([O-])cc2Cl)n1 ZINC001179659787 809935466 /nfs/dbraw/zinc/93/54/66/809935466.db2.gz DUYHAEZIMCJQEN-UHFFFAOYSA-N -1 1 294.713 3.394 20 0 CGADMM C[C@H]1Oc2ccccc2[C@H]1NCc1ccc([O-])c(F)c1F ZINC001182172505 810096875 /nfs/dbraw/zinc/09/68/75/810096875.db2.gz CQYGVDBIJAIBBU-ABKXIKBNSA-N -1 1 291.297 3.282 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1cc(F)cc(F)c1 ZINC001186234263 810322876 /nfs/dbraw/zinc/32/28/76/810322876.db2.gz UQFSICRJUCIZBI-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001187130853 810387971 /nfs/dbraw/zinc/38/79/71/810387971.db2.gz UVWQDAJJXNZIBH-NXEZZACHSA-N -1 1 299.367 3.285 20 0 CGADMM O=S(=O)(CC1CCCC1)[N-]c1cc(Cl)cs1 ZINC001191494066 810719926 /nfs/dbraw/zinc/71/99/26/810719926.db2.gz SDCZPFJETOUPBN-UHFFFAOYSA-N -1 1 279.814 3.333 20 0 CGADMM CCCC[C@H](C)NC(=O)Nc1cc(F)c([O-])cc1F ZINC001193064734 810849965 /nfs/dbraw/zinc/84/99/65/810849965.db2.gz HHAKMYGGSBMGMS-QMMMGPOBSA-N -1 1 272.295 3.371 20 0 CGADMM Oc1cc(Cl)ccc1[N-]c1nnc(-c2ccco2)o1 ZINC001214399993 815404418 /nfs/dbraw/zinc/40/44/18/815404418.db2.gz LFVBBGOOPFSRMP-UHFFFAOYSA-N -1 1 277.667 3.432 20 0 CGADMM CC(C)c1csc(C(=O)[N-]c2nnc(C(C)(C)C)o2)n1 ZINC001193501117 810897645 /nfs/dbraw/zinc/89/76/45/810897645.db2.gz SOGQPRKTBRLJKE-UHFFFAOYSA-N -1 1 294.380 3.199 20 0 CGADMM CC(C)COC(=O)Nc1ccc(Br)cc1[O-] ZINC001193832525 810964055 /nfs/dbraw/zinc/96/40/55/810964055.db2.gz PLTIESQJCHSANI-UHFFFAOYSA-N -1 1 288.141 3.359 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2ccccc2N)ccc1Cl ZINC001193923678 810980043 /nfs/dbraw/zinc/98/00/43/810980043.db2.gz FMMHFLBBZYVRDM-UHFFFAOYSA-N -1 1 296.779 3.031 20 0 CGADMM [O-]c1c(F)cc(Nc2ncccc2F)cc1Cl ZINC001214480220 815415426 /nfs/dbraw/zinc/41/54/26/815415426.db2.gz PNXVURINCHAIPT-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM CCCCCCOC(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC001194185198 811031069 /nfs/dbraw/zinc/03/10/69/811031069.db2.gz GJSSGZNIKLHMPH-UHFFFAOYSA-N -1 1 295.335 3.308 20 0 CGADMM COC(=O)c1ccc(Nc2cc(F)c([O-])c(Cl)c2)o1 ZINC001214482829 815416190 /nfs/dbraw/zinc/41/61/90/815416190.db2.gz QJBPGNGQXWQGQZ-UHFFFAOYSA-N -1 1 285.658 3.308 20 0 CGADMM Cc1cc(Nc2cc(F)c([O-])c(Cl)c2)cc(=O)o1 ZINC001214484323 815416683 /nfs/dbraw/zinc/41/66/83/815416683.db2.gz HUARLZJMNKDOFU-UHFFFAOYSA-N -1 1 269.659 3.190 20 0 CGADMM [O-]c1c(F)cc(Nc2cnncc2Cl)cc1Cl ZINC001214482628 815416712 /nfs/dbraw/zinc/41/67/12/815416712.db2.gz FLYFZPSPOVLVTI-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM COc1nccc(Nc2cc(F)c([O-])c(Cl)c2)c1F ZINC001214486553 815416796 /nfs/dbraw/zinc/41/67/96/815416796.db2.gz MNJWFOVKDGPIGD-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM Cc1cccc(C(N)=O)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214491608 815417469 /nfs/dbraw/zinc/41/74/69/815417469.db2.gz FTAXVFBIQJNNCG-UHFFFAOYSA-N -1 1 294.713 3.336 20 0 CGADMM NC(=O)c1ccc(F)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214490367 815417604 /nfs/dbraw/zinc/41/76/04/815417604.db2.gz UWQLFVRDSJPJII-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM Cn1cncc1Nc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC001214512134 815418719 /nfs/dbraw/zinc/41/87/19/815418719.db2.gz RQUKPMXWEQAGAK-UHFFFAOYSA-N -1 1 286.118 3.169 20 0 CGADMM CC[C@H](C)COC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001194811402 811143169 /nfs/dbraw/zinc/14/31/69/811143169.db2.gz KYIZVADIHXBLAH-NSHDSACASA-N -1 1 289.335 3.173 20 0 CGADMM CC(C)CCOC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001194882206 811161719 /nfs/dbraw/zinc/16/17/19/811161719.db2.gz PLYOXBDUJCPLQZ-UHFFFAOYSA-N -1 1 259.252 3.265 20 0 CGADMM O=C(Nc1scnc1C1CC1)c1cc([O-])cnc1Cl ZINC001195299639 811239541 /nfs/dbraw/zinc/23/95/41/811239541.db2.gz QGQICRSFGWGNNK-UHFFFAOYSA-N -1 1 295.751 3.027 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(Cl)c(C)c1 ZINC001195485133 811259929 /nfs/dbraw/zinc/25/99/29/811259929.db2.gz YVXJNXLCELHTLM-UHFFFAOYSA-N -1 1 272.757 3.091 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(C)cc(Cl)c1 ZINC001195486999 811260541 /nfs/dbraw/zinc/26/05/41/811260541.db2.gz PDWSZBBYWPTZRM-UHFFFAOYSA-N -1 1 272.757 3.091 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(C2CC2)cc1 ZINC001195491470 811261536 /nfs/dbraw/zinc/26/15/36/811261536.db2.gz ZEIMGFQSMBPRRH-UHFFFAOYSA-N -1 1 264.350 3.007 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc2scnc2c(C)c1 ZINC001195492641 811261614 /nfs/dbraw/zinc/26/16/14/811261614.db2.gz NIMQFRCTIVODTM-UHFFFAOYSA-N -1 1 295.389 3.048 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(C(C)(C)C)ccc1O ZINC001195490059 811261870 /nfs/dbraw/zinc/26/18/70/811261870.db2.gz CDXRKGGOOBVFHX-UHFFFAOYSA-N -1 1 296.392 3.133 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(CC(C)C)cc1 ZINC001195492677 811262108 /nfs/dbraw/zinc/26/21/08/811262108.db2.gz OQSVXCAQBFBNRS-UHFFFAOYSA-N -1 1 280.393 3.328 20 0 CGADMM [O-]c1cc(F)ccc1NC(=S)NCc1ccccc1 ZINC001195624397 811271039 /nfs/dbraw/zinc/27/10/39/811271039.db2.gz YAEKIFSJISUZJL-UHFFFAOYSA-N -1 1 276.336 3.018 20 0 CGADMM Cc1cc(CO)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001214670722 815441303 /nfs/dbraw/zinc/44/13/03/815441303.db2.gz LOBHDTHPPLFGIO-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2occc2c1 ZINC001198816459 811545777 /nfs/dbraw/zinc/54/57/77/811545777.db2.gz KUTBZMGMAJPDHP-UHFFFAOYSA-N -1 1 291.303 3.373 20 0 CGADMM Cc1cccc(S(=O)(=O)Nc2ccccc2[S-])c1F ZINC001200782868 811742997 /nfs/dbraw/zinc/74/29/97/811742997.db2.gz QJXODYGZGSHIAA-UHFFFAOYSA-N -1 1 297.376 3.224 20 0 CGADMM CCOc1ncc(Cl)cc1Nc1ncc(F)cc1[O-] ZINC001201509637 811875050 /nfs/dbraw/zinc/87/50/50/811875050.db2.gz YJGAAMHLSHGPFV-UHFFFAOYSA-N -1 1 283.690 3.117 20 0 CGADMM Cc1c(Cl)cc(NC2=CCOC2)c([O-])c1Cl ZINC001203395776 812340290 /nfs/dbraw/zinc/34/02/90/812340290.db2.gz WCWVLFUAAUCAKK-UHFFFAOYSA-N -1 1 260.120 3.333 20 0 CGADMM O=C([O-])c1ccc(CN2CCc3cc(F)ccc3C2)cc1 ZINC001204156483 812557181 /nfs/dbraw/zinc/55/71/81/812557181.db2.gz FGXKOCJGXXMOCS-UHFFFAOYSA-N -1 1 285.318 3.082 20 0 CGADMM CC(=O)c1cccc(Nc2cc(F)c([O-])cc2F)n1 ZINC001215572806 815538145 /nfs/dbraw/zinc/53/81/45/815538145.db2.gz XFVBNQKCRISIGG-UHFFFAOYSA-N -1 1 264.231 3.012 20 0 CGADMM COc1cc(N)ccc1Nc1cc(F)c([O-])cc1F ZINC001215574012 815538928 /nfs/dbraw/zinc/53/89/28/815538928.db2.gz VDFIDEQVRNHPLG-UHFFFAOYSA-N -1 1 266.247 3.005 20 0 CGADMM [O-]c1cc(F)c(Nc2ccccc2C2=NCCO2)cc1F ZINC001215576929 815540069 /nfs/dbraw/zinc/54/00/69/815540069.db2.gz NTCWIQWRDOELHA-UHFFFAOYSA-N -1 1 290.269 3.191 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cccc4ccoc43)no2)nn1 ZINC001205298772 812939019 /nfs/dbraw/zinc/93/90/19/812939019.db2.gz CNFIYGSWODQDTL-UHFFFAOYSA-N -1 1 280.243 3.206 20 0 CGADMM COc1cc(F)c([N-]c2nnc(C(C)C)o2)cc1OC ZINC001215716338 815563978 /nfs/dbraw/zinc/56/39/78/815563978.db2.gz AWLIPXDMJQMVFJ-UHFFFAOYSA-N -1 1 281.287 3.093 20 0 CGADMM Cc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(O)c1 ZINC001206300650 813279043 /nfs/dbraw/zinc/27/90/43/813279043.db2.gz UUCZSRSHDYOXCG-UHFFFAOYSA-N -1 1 281.315 3.336 20 0 CGADMM C=Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(N)c2)c1 ZINC001209918822 814198836 /nfs/dbraw/zinc/19/88/36/814198836.db2.gz AFUNEMUXXFKEHS-UHFFFAOYSA-N -1 1 288.372 3.021 20 0 CGADMM Nc1ccccc1C(=S)Nc1cccc(Cl)c1[O-] ZINC001210223232 814350546 /nfs/dbraw/zinc/35/05/46/814350546.db2.gz PHSOKQMNDNNWHD-UHFFFAOYSA-N -1 1 278.764 3.415 20 0 CGADMM Cc1ccc(Nc2cc(F)c([O-])cc2F)cc1CO ZINC001210251417 814366480 /nfs/dbraw/zinc/36/64/80/814366480.db2.gz SIRUKJAPUPZGKL-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM Nc1cncc(Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001210439496 814456971 /nfs/dbraw/zinc/45/69/71/814456971.db2.gz FAGLHINGIAVNMN-UHFFFAOYSA-N -1 1 270.119 3.420 20 0 CGADMM COc1ncc(Cl)cc1Nc1c([O-])cc(F)cc1F ZINC001210453022 814465052 /nfs/dbraw/zinc/46/50/52/814465052.db2.gz NJQLSPOHMRFSBX-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM c1coc(-c2nnc([N-]c3ccc4ncncc4c3)o2)c1 ZINC001210454270 814466232 /nfs/dbraw/zinc/46/62/32/814466232.db2.gz PUNRTQDCDNJWGF-UHFFFAOYSA-N -1 1 279.259 3.016 20 0 CGADMM COC(=O)c1cc(Nc2cc([O-])c(F)c(F)c2)ccc1F ZINC001215854925 815615577 /nfs/dbraw/zinc/61/55/77/815615577.db2.gz HUJHJVOIWBXFAO-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM CSc1nc(-c2cccc([O-])c2Cl)ncc1F ZINC001242797809 823135433 /nfs/dbraw/zinc/13/54/33/823135433.db2.gz MZFWQJDICWKKCK-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM CCN(C)c1cc(C)nc(-c2cccc([O-])c2Cl)n1 ZINC001242799081 823135788 /nfs/dbraw/zinc/13/57/88/823135788.db2.gz SNHZAHRYHRXCJO-UHFFFAOYSA-N -1 1 277.755 3.267 20 0 CGADMM Cc1nc2[nH]cnc2cc1-c1cccc([O-])c1Cl ZINC001242800353 823136648 /nfs/dbraw/zinc/13/66/48/823136648.db2.gz GSNLMLTWSJCGPU-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM O=C1C[C@H](c2cccc(-c3cccc([O-])c3Cl)c2)CN1 ZINC001242800803 823137259 /nfs/dbraw/zinc/13/72/59/823137259.db2.gz UCQYXMMLYGIBLU-LBPRGKRZSA-N -1 1 287.746 3.316 20 0 CGADMM [O-]c1cccc(-c2cnc(OC3CCC3)cn2)c1Cl ZINC001242801637 823137439 /nfs/dbraw/zinc/13/74/39/823137439.db2.gz CSHRKSCYDDRFBU-UHFFFAOYSA-N -1 1 276.723 3.434 20 0 CGADMM CSc1ccc(-c2cccc([O-])c2Cl)nn1 ZINC001242801400 823137526 /nfs/dbraw/zinc/13/75/26/823137526.db2.gz QDAPWDVHXKKFJR-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM CN1C(=O)Cc2ccc(-c3cccc([O-])c3Cl)cc21 ZINC001242802042 823137977 /nfs/dbraw/zinc/13/79/77/823137977.db2.gz NVAZDSWJUATNQD-UHFFFAOYSA-N -1 1 273.719 3.232 20 0 CGADMM Cn1cncc1Nc1ccc(Br)cc1[S-] ZINC001211252081 814862154 /nfs/dbraw/zinc/86/21/54/814862154.db2.gz YSCNNOCTQZBNRB-UHFFFAOYSA-N -1 1 284.182 3.215 20 0 CGADMM O=C1OCc2cc(-c3cc(F)c([O-])cc3F)ccc21 ZINC001211340093 814881564 /nfs/dbraw/zinc/88/15/64/814881564.db2.gz SMDCSCVGZABLHD-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM COc1ncnc2ccc(-c3cc(F)c([O-])cc3F)cc21 ZINC001211340680 814882083 /nfs/dbraw/zinc/88/20/83/814882083.db2.gz XRMKBARGNGQYSB-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM [O-]c1cccc(-c2nc(-c3ccccc3F)no2)c1F ZINC001215984524 815651083 /nfs/dbraw/zinc/65/10/83/815651083.db2.gz UKFFVLNTZMODRS-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc(CO)cc1F ZINC001216273164 815763145 /nfs/dbraw/zinc/76/31/45/815763145.db2.gz IWZGNILSFSWOIE-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM Cc1c(O)cccc1Nc1cc([O-])c(F)c(F)c1 ZINC001216321717 815782761 /nfs/dbraw/zinc/78/27/61/815782761.db2.gz JSLXKBBKLUEJLY-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM Cc1nc(-c2noc(-c3cc([O-])cc(F)c3)n2)ccc1F ZINC001216339810 815792101 /nfs/dbraw/zinc/79/21/01/815792101.db2.gz NVYJFDLGVSCQTA-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1ccccc1-c1noc(-c2c(C)cc(O)cc2[O-])n1 ZINC001216986746 815905021 /nfs/dbraw/zinc/90/50/21/815905021.db2.gz MYZHWCURIRSZMR-UHFFFAOYSA-N -1 1 282.299 3.432 20 0 CGADMM COC(=O)c1nc2ccc(-c3cnccc3Cl)cc2[n-]1 ZINC001243043618 823221813 /nfs/dbraw/zinc/22/18/13/823221813.db2.gz IJMJLSRIANCYGL-UHFFFAOYSA-N -1 1 287.706 3.065 20 0 CGADMM COC(=O)c1nc2cc(-c3cnccc3Cl)ccc2[n-]1 ZINC001243043618 823221815 /nfs/dbraw/zinc/22/18/15/823221815.db2.gz IJMJLSRIANCYGL-UHFFFAOYSA-N -1 1 287.706 3.065 20 0 CGADMM C[C@@H](OCCCC[P@](=O)([O-])O)c1cccc(F)c1F ZINC001225018669 816933160 /nfs/dbraw/zinc/93/31/60/816933160.db2.gz DWZNFDDXMBENHO-SECBINFHSA-N -1 1 294.234 3.000 20 0 CGADMM O=[P@]([O-])(O)CCCCO[C@H](c1ccccc1)C1CC1 ZINC001225022299 816934803 /nfs/dbraw/zinc/93/48/03/816934803.db2.gz MIVUNIQYOHYQRV-CQSZACIVSA-N -1 1 284.292 3.112 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001225618688 817114056 /nfs/dbraw/zinc/11/40/56/817114056.db2.gz IJRZWABVVZWZHF-DEZZGGKRSA-N -1 1 260.333 3.408 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CCC[C@@H](C)C1 ZINC001225675230 817137134 /nfs/dbraw/zinc/13/71/34/817137134.db2.gz SUGMURUVWVUGHD-SKDRFNHKSA-N -1 1 264.321 3.258 20 0 CGADMM CCCC(=O)[C@@H](CCC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225678946 817137857 /nfs/dbraw/zinc/13/78/57/817137857.db2.gz MKEUSMUDXQPLSB-CQSZACIVSA-N -1 1 294.347 3.217 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C(C)C)C(F)(F)F ZINC001225679583 817139386 /nfs/dbraw/zinc/13/93/86/817139386.db2.gz QMQUBOASBZOSTL-LBPRGKRZSA-N -1 1 292.253 3.266 20 0 CGADMM CCCOC[C@@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487551 817373993 /nfs/dbraw/zinc/37/39/93/817373993.db2.gz YDKOJTWZVNCQQR-LLVKDONJSA-N -1 1 292.331 3.001 20 0 CGADMM Cc1cc(C(=O)[O-])cc(-c2cc3[nH]ccc3cn2)c1 ZINC001243177883 823274497 /nfs/dbraw/zinc/27/44/97/823274497.db2.gz PBEOVSYVUBCZRT-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CCC[C@@H](CC)Oc1cc([O-])ccc1C(=O)COC ZINC001227169767 817578874 /nfs/dbraw/zinc/57/88/74/817578874.db2.gz ZMDUEQBHWCYPEK-GFCCVEGCSA-N -1 1 266.337 3.179 20 0 CGADMM Cc1ccc(-c2ccc3cncn3c2)cc1C(=O)[O-] ZINC001243196084 823285301 /nfs/dbraw/zinc/28/53/01/823285301.db2.gz ZRZNKPVNGWCPJZ-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM COC(=O)C1CC(Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227641144 817686432 /nfs/dbraw/zinc/68/64/32/817686432.db2.gz KSDQASLJEMYAPN-UHFFFAOYSA-N -1 1 291.130 3.029 20 0 CGADMM CCCCCC1CCC(Oc2nc(C(=O)OC)n[n-]2)CC1 ZINC001228308485 817873027 /nfs/dbraw/zinc/87/30/27/817873027.db2.gz IFXKOGSVLGJBCN-UHFFFAOYSA-N -1 1 295.383 3.109 20 0 CGADMM CCCCCC1CCC(Oc2n[n-]c(C(=O)OC)n2)CC1 ZINC001228308485 817873037 /nfs/dbraw/zinc/87/30/37/817873037.db2.gz IFXKOGSVLGJBCN-UHFFFAOYSA-N -1 1 295.383 3.109 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)COC(C)(C)C ZINC001228560815 817939486 /nfs/dbraw/zinc/93/94/86/817939486.db2.gz TUYFOCYCYYHTRL-SNVBAGLBSA-N -1 1 296.363 3.273 20 0 CGADMM Cc1ccc(Cl)cc1[C@@H](C)Oc1cnnc(=S)[n-]1 ZINC001228643294 817961354 /nfs/dbraw/zinc/96/13/54/817961354.db2.gz ZVDSAAJLIZUWLV-MRVPVSSYSA-N -1 1 281.768 3.262 20 0 CGADMM C[C@@H]1Cc2ccccc2CN1Cc1cc(C(=O)[O-])ccc1F ZINC001231461592 818102284 /nfs/dbraw/zinc/10/22/84/818102284.db2.gz XSZUTNRNNGWOJC-GFCCVEGCSA-N -1 1 299.345 3.471 20 0 CGADMM CCN(Cc1ccc(Cl)c([O-])c1Cl)CC(C)(C)O ZINC001232627204 818405039 /nfs/dbraw/zinc/40/50/39/818405039.db2.gz GPCMAKQSAVMRAT-UHFFFAOYSA-N -1 1 292.206 3.292 20 0 CGADMM COc1ccc2c(c1)CN(Cc1cc([O-])c(F)c(F)c1)C2 ZINC001232973114 818487206 /nfs/dbraw/zinc/48/72/06/818487206.db2.gz NNSOSDNMGKCQQS-UHFFFAOYSA-N -1 1 291.297 3.195 20 0 CGADMM C[C@]1(CF)CC(F)(F)CN1Cc1cc(Cl)ncc1[O-] ZINC001233033014 818505638 /nfs/dbraw/zinc/50/56/38/818505638.db2.gz XUEYCXPWDGMXGA-LLVKDONJSA-N -1 1 294.704 3.010 20 0 CGADMM Cc1nc2c(c(-c3ccc([O-])c(F)c3F)n1)CCCC2 ZINC001243339081 823353337 /nfs/dbraw/zinc/35/33/37/823353337.db2.gz JZBWMIJXZAULIV-UHFFFAOYSA-N -1 1 276.286 3.315 20 0 CGADMM Nc1ccc2cc(-c3ccc([O-])c(F)c3F)ccc2n1 ZINC001243341298 823355047 /nfs/dbraw/zinc/35/50/47/823355047.db2.gz NEXSZVCVNJLLCE-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM Cc1cn2cc(-c3ccc([O-])c(F)c3F)ccc2n1 ZINC001243342443 823357304 /nfs/dbraw/zinc/35/73/04/823357304.db2.gz KFZXTIAKPAHLDQ-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM CSc1ccc(-c2ccc([O-])c(F)c2F)cn1 ZINC001243342164 823358095 /nfs/dbraw/zinc/35/80/95/823358095.db2.gz DGVHOQFENYETJT-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM Cn1c(=O)ccc2ccc(-c3ccc([O-])c(F)c3F)cc21 ZINC001243344625 823360410 /nfs/dbraw/zinc/36/04/10/823360410.db2.gz JDMQVKVEUHHHQO-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM Cc1c(Cl)c(-c2nccc3[nH]cnc32)ccc1C(=O)[O-] ZINC001236108417 819323965 /nfs/dbraw/zinc/32/39/65/819323965.db2.gz MVOMWJICBUULPQ-UHFFFAOYSA-N -1 1 287.706 3.285 20 0 CGADMM CSc1cncc(-c2c(F)ccc(C)c2[O-])n1 ZINC001236392648 819448970 /nfs/dbraw/zinc/44/89/70/819448970.db2.gz QSXRVYAUYIACEP-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM Cn1cnc2ccc(-c3cc(F)cc(F)c3[O-])cc21 ZINC001243502784 823421414 /nfs/dbraw/zinc/42/14/14/823421414.db2.gz ABJHKUXHPFPXDO-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CCOc1ccc(-c2cc(F)cc(F)c2[O-])c(C)n1 ZINC001243504187 823422223 /nfs/dbraw/zinc/42/22/23/823422223.db2.gz JZVLHDYEOQQYEC-UHFFFAOYSA-N -1 1 265.259 3.440 20 0 CGADMM CCCNc1nc(-c2cccc([O-])c2F)ncc1C ZINC001243542472 823436749 /nfs/dbraw/zinc/43/67/49/823436749.db2.gz LKSBTQFTFAUWSA-UHFFFAOYSA-N -1 1 261.300 3.119 20 0 CGADMM [O-]c1cccc(-c2ncc3ccc(F)cc3n2)c1F ZINC001243544810 823437311 /nfs/dbraw/zinc/43/73/11/823437311.db2.gz ZTNOCENONSYSOJ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOc1ncc(F)c(-c2ccc(Cl)c([O-])c2)n1 ZINC001243576185 823451468 /nfs/dbraw/zinc/45/14/68/823451468.db2.gz ISBIDBYZFGGLNK-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM [O-]c1cc(-c2cncc3cc(CO)oc32)ccc1Cl ZINC001243577691 823451946 /nfs/dbraw/zinc/45/19/46/823451946.db2.gz CAMYVMOIKQNZKO-UHFFFAOYSA-N -1 1 275.691 3.346 20 0 CGADMM CC(=O)Nc1ncc(C)cc1-c1ccc(Cl)c([O-])c1 ZINC001243582417 823454089 /nfs/dbraw/zinc/45/40/89/823454089.db2.gz RTDWOTKXXZSUSS-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM CS(=O)(=O)Nc1ccccc1-c1ccc(Cl)c([O-])c1 ZINC001243581361 823454094 /nfs/dbraw/zinc/45/40/94/823454094.db2.gz PQHTXIIXDZCJDG-UHFFFAOYSA-N -1 1 297.763 3.084 20 0 CGADMM O=c1cc(-c2ccc(Cl)c([O-])c2)cnn1CC1CCC1 ZINC001243581547 823454399 /nfs/dbraw/zinc/45/43/99/823454399.db2.gz HZXXRNZUTHTEDR-UHFFFAOYSA-N -1 1 290.750 3.069 20 0 CGADMM COC(=O)c1cnc(C)c(-c2ccc(Cl)c([O-])c2)c1 ZINC001243581607 823454407 /nfs/dbraw/zinc/45/44/07/823454407.db2.gz KEIUSKGYMXGYBD-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM COCCOc1cc(-c2ccc(Cl)c([O-])c2)ccn1 ZINC001243582711 823454791 /nfs/dbraw/zinc/45/47/91/823454791.db2.gz DUBVSIZXTAOFFJ-UHFFFAOYSA-N -1 1 279.723 3.133 20 0 CGADMM COc1cccnc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243608414 823465893 /nfs/dbraw/zinc/46/58/93/823465893.db2.gz ISFOEIJJUSHWRR-UHFFFAOYSA-N -1 1 269.222 3.482 20 0 CGADMM Cc1cc2c(c(-c3cccc4ccccc43)n1)C(=O)[N-]C2=O ZINC001239469523 820318857 /nfs/dbraw/zinc/31/88/57/820318857.db2.gz DTJFFFNSHRIYRJ-UHFFFAOYSA-N -1 1 288.306 3.094 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(C)c(F)c3)ccc2[n-]1 ZINC001239821406 820636598 /nfs/dbraw/zinc/63/65/98/820636598.db2.gz KOPDKDOUIFEJLH-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(C)c(F)c3)cc2[n-]1 ZINC001239821406 820636604 /nfs/dbraw/zinc/63/66/04/820636604.db2.gz KOPDKDOUIFEJLH-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM COCc1ccccc1-c1ccc2[n-]c(C(=O)OC)nc2c1 ZINC001239953131 820733798 /nfs/dbraw/zinc/73/37/98/820733798.db2.gz YWZZRRMIAAYUCS-UHFFFAOYSA-N -1 1 296.326 3.163 20 0 CGADMM COCc1ccccc1-c1ccc2nc(C(=O)OC)[n-]c2c1 ZINC001239953131 820733801 /nfs/dbraw/zinc/73/38/01/820733801.db2.gz YWZZRRMIAAYUCS-UHFFFAOYSA-N -1 1 296.326 3.163 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(C)sc3C)nc2[n-]1 ZINC001240431255 821051655 /nfs/dbraw/zinc/05/16/55/821051655.db2.gz RIMAFPAWSXFTEV-UHFFFAOYSA-N -1 1 287.344 3.090 20 0 CGADMM CCOC(=O)c1ccc(C)c(-c2cc(F)ccc2[O-])n1 ZINC001240694892 821250821 /nfs/dbraw/zinc/25/08/21/821250821.db2.gz ZTXKODHVIUIBIF-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM [O-]c1ccc(F)cc1-c1cc(-c2ccccn2)ncn1 ZINC001240695320 821251574 /nfs/dbraw/zinc/25/15/74/821251574.db2.gz HJQUGFLMMPTUCV-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM Cc1ccc2c(c1)ncnc2-c1ccc([O-])c(F)c1 ZINC001240782938 821320866 /nfs/dbraw/zinc/32/08/66/821320866.db2.gz JZSYLTYDJZJYHM-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM COc1ccc2nc(-c3ccc([O-])c(F)c3)nc(C)c2c1 ZINC001240781712 821321230 /nfs/dbraw/zinc/32/12/30/821321230.db2.gz FOYPBRAJEIWPDQ-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM CC(C)(C)Oc1ccc(-c2ccc([O-])c(F)c2)nn1 ZINC001240782706 821321340 /nfs/dbraw/zinc/32/13/40/821321340.db2.gz DVEDCERASGIPRF-UHFFFAOYSA-N -1 1 262.284 3.166 20 0 CGADMM [O-]c1ccc(-c2nccnc2C(F)(F)F)cc1F ZINC001240782802 821322422 /nfs/dbraw/zinc/32/24/22/821322422.db2.gz JYFBDSCLJBAHPZ-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM CCOc1nc(-c2ccc(C)cc2[O-])nc2c1CCCC2 ZINC001241037628 821512547 /nfs/dbraw/zinc/51/25/47/821512547.db2.gz AAMZKJCEMVCKAW-UHFFFAOYSA-N -1 1 284.359 3.435 20 0 CGADMM [O-]c1cc(F)c(-c2ncnc3sccc32)c(F)c1 ZINC001241116551 821570334 /nfs/dbraw/zinc/57/03/34/821570334.db2.gz BUNSJJVFIVKXIA-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM [O-]c1cc(F)c(-c2nncc3ccccc32)c(F)c1 ZINC001241116851 821571882 /nfs/dbraw/zinc/57/18/82/821571882.db2.gz GDYZZNNJYXZTTK-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(F)c(-c2cc(N3CCCCC3)ncn2)c(F)c1 ZINC001241119017 821574290 /nfs/dbraw/zinc/57/42/90/821574290.db2.gz CJDLBTNNFFPIMA-UHFFFAOYSA-N -1 1 291.301 3.118 20 0 CGADMM Cn1cc(-c2c(F)cc([O-])cc2F)c2ccccc2c1=O ZINC001241120669 821576216 /nfs/dbraw/zinc/57/62/16/821576216.db2.gz FVARCMXAFLIOCR-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3nccnc3c2)c(F)c1 ZINC001241122549 821578263 /nfs/dbraw/zinc/57/82/63/821578263.db2.gz SIFGGUBRPHXOHZ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3nccnc32)c(F)c1 ZINC001241122494 821579030 /nfs/dbraw/zinc/57/90/30/821579030.db2.gz PUNGVGZSMJJGAK-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOc1cccnc1-c1c(F)ccc([O-])c1F ZINC001241289970 821706744 /nfs/dbraw/zinc/70/67/44/821706744.db2.gz HFSOCTDOTMQOSS-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM Cc1cnc(-c2c(F)ccc([O-])c2F)nc1NCC1CC1 ZINC001241290078 821706844 /nfs/dbraw/zinc/70/68/44/821706844.db2.gz HXOGQPMTYJORQX-UHFFFAOYSA-N -1 1 291.301 3.258 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3ncccc3n2)c1F ZINC001241291933 821709245 /nfs/dbraw/zinc/70/92/45/821709245.db2.gz YTAKBNCMVFRLGO-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CC(C)Sc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001241611739 821993122 /nfs/dbraw/zinc/99/31/22/821993122.db2.gz GHOJADXVRMLEDB-UHFFFAOYSA-N -1 1 297.387 3.429 20 0 CGADMM CC(C)Sc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001241611739 821993128 /nfs/dbraw/zinc/99/31/28/821993128.db2.gz GHOJADXVRMLEDB-UHFFFAOYSA-N -1 1 297.387 3.429 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(OC)ccc3C)ccc2[n-]1 ZINC001241673388 822056324 /nfs/dbraw/zinc/05/63/24/822056324.db2.gz JIHSKTNBKZJQTO-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(OC)ccc3C)cc2[n-]1 ZINC001241673388 822056334 /nfs/dbraw/zinc/05/63/34/822056334.db2.gz JIHSKTNBKZJQTO-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM COc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nc1 ZINC001242127003 822886813 /nfs/dbraw/zinc/88/68/13/822886813.db2.gz VAAPRTCGUMQZIH-UHFFFAOYSA-N -1 1 269.222 3.482 20 0 CGADMM COC(=O)c1cccc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242126168 822887091 /nfs/dbraw/zinc/88/70/91/822887091.db2.gz IBSHMPAOJDGQMP-UHFFFAOYSA-N -1 1 297.232 3.260 20 0 CGADMM CC(=O)Nc1ccnc(-c2cc(C(F)(F)F)ccc2[O-])c1 ZINC001242131152 822888979 /nfs/dbraw/zinc/88/89/79/822888979.db2.gz DUMDAMXSZRHFOD-UHFFFAOYSA-N -1 1 296.248 3.431 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1cc2c(nn1)CCC2 ZINC001242133055 822889470 /nfs/dbraw/zinc/88/94/70/822889470.db2.gz CZIXNKJQHOPVQP-UHFFFAOYSA-N -1 1 280.249 3.357 20 0 CGADMM [O-]c1ccc(-c2cnc3[nH]ccc3n2)cc1C(F)(F)F ZINC001242148274 822894252 /nfs/dbraw/zinc/89/42/52/822894252.db2.gz RFTDHVMBFSOTLU-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM Cc1nc2cnc(-c3ccc([O-])c(C(F)(F)F)c3)nc2[nH]1 ZINC001242152670 822895680 /nfs/dbraw/zinc/89/56/80/822895680.db2.gz JEMHVLVFGFLWFX-UHFFFAOYSA-N -1 1 294.236 3.004 20 0 CGADMM CCN(C)c1cc(-c2ccc([O-])c(C(F)(F)F)c2)ncn1 ZINC001242152696 822896087 /nfs/dbraw/zinc/89/60/87/822896087.db2.gz JYZNPXQGRGRKSQ-UHFFFAOYSA-N -1 1 297.280 3.324 20 0 CGADMM COCc1cc(-c2ccc([O-])c(C(F)(F)F)c2)nc(C)n1 ZINC001242151406 822896172 /nfs/dbraw/zinc/89/61/72/822896172.db2.gz MQSDECGKKPVPEK-UHFFFAOYSA-N -1 1 298.264 3.323 20 0 CGADMM Cc1cn2cc(-c3ccc([O-])c(C(F)(F)F)c3)ncc2n1 ZINC001242157186 822899418 /nfs/dbraw/zinc/89/94/18/822899418.db2.gz FYQRGKWIFUFOAE-UHFFFAOYSA-N -1 1 293.248 3.429 20 0 CGADMM COC(=O)c1nc2cccc(-c3ccc(F)cc3[O-])c2o1 ZINC001242222504 822917494 /nfs/dbraw/zinc/91/74/94/822917494.db2.gz WQVHCBUEXSYHNB-UHFFFAOYSA-N -1 1 287.246 3.126 20 0 CGADMM Cc1cc(Cl)cc(-c2ccc(-c3nnn[n-]3)nc2)c1F ZINC001242226348 822918888 /nfs/dbraw/zinc/91/88/88/822918888.db2.gz YZDQITLYHNAFPE-UHFFFAOYSA-N -1 1 289.701 3.030 20 0 CGADMM Cc1cc(Cl)cc(-c2ccc(-c3nn[n-]n3)nc2)c1F ZINC001242226348 822918890 /nfs/dbraw/zinc/91/88/90/822918890.db2.gz YZDQITLYHNAFPE-UHFFFAOYSA-N -1 1 289.701 3.030 20 0 CGADMM COC(=O)c1ccc(OC)c(-c2cccc(F)c2[O-])c1F ZINC001242351568 822961888 /nfs/dbraw/zinc/96/18/88/822961888.db2.gz WVMMNRUCFIAJOO-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM COc1c(F)cc(F)cc1-c1cccc(F)c1[O-] ZINC001242351641 822962107 /nfs/dbraw/zinc/96/21/07/822962107.db2.gz MPZNJNXJPXRPEU-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CNC(=O)c1ccccc1-c1cccc(Cl)c1[O-] ZINC001242366509 822968707 /nfs/dbraw/zinc/96/87/07/822968707.db2.gz NRXAIZLOLJVARS-UHFFFAOYSA-N -1 1 261.708 3.072 20 0 CGADMM CCN(CC)c1ncc(-c2cccc(Cl)c2[O-])cn1 ZINC001242365405 822968731 /nfs/dbraw/zinc/96/87/31/822968731.db2.gz BUBXMZAHTKOLQK-UHFFFAOYSA-N -1 1 277.755 3.349 20 0 CGADMM CN1CCc2c(cccc2-c2cccc(Cl)c2[O-])C1=O ZINC001242367007 822969605 /nfs/dbraw/zinc/96/96/05/822969605.db2.gz GKRWVJBSMWBUAV-UHFFFAOYSA-N -1 1 287.746 3.341 20 0 CGADMM COc1ccc(C(=O)[O-])cc1-c1cc2nc[nH]c2cc1F ZINC001242392037 822979531 /nfs/dbraw/zinc/97/95/31/822979531.db2.gz KWLUXBYJYDGDII-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM Cc1cc2c(c(C3=CCCCCCC3)n1)C(=O)[N-]C2=O ZINC001242502726 823012623 /nfs/dbraw/zinc/01/26/23/823012623.db2.gz BOGJGIOFFVDGAQ-UHFFFAOYSA-N -1 1 270.332 3.011 20 0 CGADMM O=C1Cc2cc(C3=CCCCCCC3)ccc2C(=O)[N-]1 ZINC001242505807 823013647 /nfs/dbraw/zinc/01/36/47/823013647.db2.gz LLPKJSMOYLTTDA-UHFFFAOYSA-N -1 1 269.344 3.237 20 0 CGADMM CCc1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)no1 ZINC001357918677 937183121 /nfs/dbraw/zinc/18/31/21/937183121.db2.gz OTZWYOBQEPLFMT-UHFFFAOYSA-N -1 1 286.665 3.421 20 0 CGADMM Cc1cnc(SCCc2c(F)cccc2F)[n-]c1=O ZINC001434451551 937249012 /nfs/dbraw/zinc/24/90/12/937249012.db2.gz LYNXGOBSHHYWAO-UHFFFAOYSA-N -1 1 282.315 3.104 20 0 CGADMM CC(C)CN(Cc1ccccc1)C(=O)c1ccc([O-])cn1 ZINC001442471918 937343084 /nfs/dbraw/zinc/34/30/84/937343084.db2.gz UMHSJAQKXBPHFV-UHFFFAOYSA-N -1 1 284.359 3.086 20 0 CGADMM Cc1cnc(C(=O)N[C@H]2CCCCC23CCCC3)c([O-])c1 ZINC001450451653 937385720 /nfs/dbraw/zinc/38/57/20/937385720.db2.gz STRPZXSZCOMSLR-AWEZNQCLSA-N -1 1 288.391 3.328 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cccc2c1CCC2 ZINC001451737719 937391965 /nfs/dbraw/zinc/39/19/65/937391965.db2.gz AKFWUYKKERAHGN-UHFFFAOYSA-N -1 1 289.281 3.411 20 0 CGADMM O=C(Nc1ccc2c(c1)CCCCC2)c1ccc([O-])cn1 ZINC001452796120 937398697 /nfs/dbraw/zinc/39/86/97/937398697.db2.gz AABCKTMMVZMJRH-UHFFFAOYSA-N -1 1 282.343 3.308 20 0 CGADMM Cc1cc(NC(=O)c2cccc([O-])c2F)cc(O)c1C ZINC001455269562 937416641 /nfs/dbraw/zinc/41/66/41/937416641.db2.gz GVRZRKAUEFTMMJ-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM O=C(c1cccc([O-])c1F)N1Cc2cccc(Cl)c2C1 ZINC001456823164 937435962 /nfs/dbraw/zinc/43/59/62/937435962.db2.gz BYXIZXBJBQODQX-UHFFFAOYSA-N -1 1 291.709 3.341 20 0 CGADMM O=C(Cc1ccc2cccnc2c1)Nc1ccc(F)cc1[O-] ZINC001457714535 937444765 /nfs/dbraw/zinc/44/47/65/937444765.db2.gz JJAYEIISVRJJST-UHFFFAOYSA-N -1 1 296.301 3.261 20 0 CGADMM O=c1nc(Cl)cc(Oc2ccccc2OC(F)F)[n-]1 ZINC001458170351 937453513 /nfs/dbraw/zinc/45/35/13/937453513.db2.gz UGFGCZDTDOJYKI-UHFFFAOYSA-N -1 1 288.637 3.229 20 0 CGADMM O=c1ccc2c(O[C@H]3CCCC[C@@H]3F)cc([O-])cc2o1 ZINC001229135979 932103573 /nfs/dbraw/zinc/10/35/73/932103573.db2.gz SUERIVQVFMVIIJ-RYUDHWBXSA-N -1 1 278.279 3.158 20 0 CGADMM CCCCOC(=O)[C@@H](C)Oc1cc([O-])ccc1C(=O)CC ZINC001229475331 932156948 /nfs/dbraw/zinc/15/69/48/932156948.db2.gz UUORBLOGRZQVLV-LLVKDONJSA-N -1 1 294.347 3.096 20 0 CGADMM CCC[C@H](CC(=O)OC)Oc1cc([O-])ccc1C(=O)CC ZINC001229474539 932157095 /nfs/dbraw/zinc/15/70/95/932157095.db2.gz HLMCISDYPNEQPX-GFCCVEGCSA-N -1 1 294.347 3.096 20 0 CGADMM CCCOC[C@H](C)Oc1cc([O-])ccc1C(=O)CC ZINC001229474166 932157133 /nfs/dbraw/zinc/15/71/33/932157133.db2.gz BOGDHWIWDPZOKX-NSHDSACASA-N -1 1 266.337 3.179 20 0 CGADMM Cc1nocc1[N-]C(=O)c1occc1COc1ccccc1 ZINC001461256028 937572360 /nfs/dbraw/zinc/57/23/60/937572360.db2.gz WFORHJAURJSYIP-UHFFFAOYSA-N -1 1 298.298 3.407 20 0 CGADMM CC[C@@H](C)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231044182 932664034 /nfs/dbraw/zinc/66/40/34/932664034.db2.gz GWHNUFIJESGTDN-RXMQYKEDSA-N -1 1 260.124 3.442 20 0 CGADMM O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1c([O-])cccc1Cl ZINC001303697659 932831782 /nfs/dbraw/zinc/83/17/82/932831782.db2.gz FUNPPNLKOUMQCU-DCAQKATOSA-N -1 1 279.767 3.212 20 0 CGADMM CC(C)n1cc(Cl)c(NC(=O)c2cc(F)ccc2[O-])n1 ZINC001303791074 932834107 /nfs/dbraw/zinc/83/41/07/932834107.db2.gz LMKWQIHOZZAYGW-UHFFFAOYSA-N -1 1 297.717 3.214 20 0 CGADMM O=S(=O)([N-]CCCCC1CC1)c1sccc1Cl ZINC001309765990 933243337 /nfs/dbraw/zinc/24/33/37/933243337.db2.gz MNVKZGHCEACNDK-UHFFFAOYSA-N -1 1 293.841 3.260 20 0 CGADMM C[C@H](CCc1ccccc1)NC(=O)c1cccc([O-])c1F ZINC001463620695 937678062 /nfs/dbraw/zinc/67/80/62/937678062.db2.gz GPRMZQBVEWSBOS-GFCCVEGCSA-N -1 1 287.334 3.282 20 0 CGADMM CCc1occc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001468747733 937731188 /nfs/dbraw/zinc/73/11/88/937731188.db2.gz KXLWLDDHTPFYTN-UHFFFAOYSA-N -1 1 267.231 3.078 20 0 CGADMM O=C(/C=C\c1cccc(O)c1)Nc1cc([O-])c(F)cc1F ZINC001468747624 937731473 /nfs/dbraw/zinc/73/14/73/937731473.db2.gz JJUZXXDANXZJBJ-PLNGDYQASA-N -1 1 291.253 3.028 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cn1)c1ccc(F)cc1Cl ZINC001468379637 937727434 /nfs/dbraw/zinc/72/74/34/937727434.db2.gz OMGJLVRJDHEPFJ-QMMMGPOBSA-N -1 1 294.713 3.071 20 0 CGADMM C[C@H]1CC/C(=C/C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC001469162336 937736226 /nfs/dbraw/zinc/73/62/26/937736226.db2.gz WFDLAEKPSUNADZ-HXOPTJOXSA-N -1 1 267.275 3.355 20 0 CGADMM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1cc(F)ccc1[O-] ZINC001469183545 937736594 /nfs/dbraw/zinc/73/65/94/937736594.db2.gz HCGPHSFQEULRGF-WCQYABFASA-N -1 1 277.339 3.230 20 0 CGADMM CC1(C)CN(C(=O)c2ccc(F)c([O-])c2)c2ccccc21 ZINC001470882689 937758806 /nfs/dbraw/zinc/75/88/06/937758806.db2.gz FPSOCBSYNANQHK-UHFFFAOYSA-N -1 1 285.318 3.469 20 0 CGADMM C[C@@H](C(=O)Nc1cccc(F)c1[O-])c1ccccc1 ZINC001471166642 937762010 /nfs/dbraw/zinc/76/20/10/937762010.db2.gz OFHHKPVGFQWZAS-SNVBAGLBSA-N -1 1 259.280 3.274 20 0 CGADMM C[C@@H]1CN(C(=O)c2cccc([O-])c2F)Cc2ccccc21 ZINC001471717005 937768678 /nfs/dbraw/zinc/76/86/78/937768678.db2.gz YDSQIAPIVIEMSU-LLVKDONJSA-N -1 1 285.318 3.291 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001324290850 934482781 /nfs/dbraw/zinc/48/27/81/934482781.db2.gz WXOOITIBEDQWAX-UWVGGRQHSA-N -1 1 271.307 3.162 20 0 CGADMM O=C(Nc1cc(F)c(O)cc1Cl)c1ccc(F)c([O-])c1 ZINC001472194774 937773768 /nfs/dbraw/zinc/77/37/68/937773768.db2.gz SBBIBJHCAKXELW-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM O=C(NCC[C@@H]1CCC(F)(F)C1)c1ccc([O-])cc1F ZINC001333569540 935546902 /nfs/dbraw/zinc/54/69/02/935546902.db2.gz RUYYFUUUBFBKRQ-VIFPVBQESA-N -1 1 287.281 3.087 20 0 CGADMM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc(F)s1 ZINC001531687993 938082802 /nfs/dbraw/zinc/08/28/02/938082802.db2.gz SSJLIEDKEARYNP-UHFFFAOYSA-N -1 1 295.320 3.251 20 0 CGADMM Cc1cccc(NC(=O)c2ccc(F)c([O-])c2)c1C ZINC001540600516 938132423 /nfs/dbraw/zinc/13/24/23/938132423.db2.gz QCXBOMUFIOBWHA-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccc([O-])cc2F)o1 ZINC001542102926 938135093 /nfs/dbraw/zinc/13/50/93/938135093.db2.gz VNGIWPFDHHOVEC-TVQRCGJNSA-N -1 1 289.306 3.178 20 0 CGADMM CCCCC1CCC(NC(=O)c2ccc([O-])cn2)CC1 ZINC001542252457 938135395 /nfs/dbraw/zinc/13/53/95/938135395.db2.gz DRVJCKWIZZGMGY-UHFFFAOYSA-N -1 1 276.380 3.266 20 0 CGADMM Cc1ccc(CCNC(=O)c2cccc([O-])c2F)c(C)c1 ZINC001542374141 938135792 /nfs/dbraw/zinc/13/57/92/938135792.db2.gz XQTRHSKCIXHRCK-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)c1cccnc1 ZINC001542941763 938137255 /nfs/dbraw/zinc/13/72/55/938137255.db2.gz CQQRKMFMAHKEIS-UHFFFAOYSA-N -1 1 296.248 3.083 20 0 CGADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(F)ccc1[O-] ZINC001543738746 938141221 /nfs/dbraw/zinc/14/12/21/938141221.db2.gz ZJZPDCXWDFOFHH-OAHLLOKOSA-N -1 1 285.318 3.257 20 0 CGADMM CC(C)[C@H]1CCCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001543750144 938141368 /nfs/dbraw/zinc/14/13/68/938141368.db2.gz CDRWQMWRPCNKTD-LBPRGKRZSA-N -1 1 279.355 3.430 20 0 CGADMM CN(Cc1cccc2ccccc21)C(=O)c1ccc([O-])cn1 ZINC001544462391 938145275 /nfs/dbraw/zinc/14/52/75/938145275.db2.gz CYZCAASJGMQFLN-UHFFFAOYSA-N -1 1 292.338 3.213 20 0 CGADMM CCC1(C)CCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001544690010 938146610 /nfs/dbraw/zinc/14/66/10/938146610.db2.gz UVOYKGXSWDSSRC-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM Cc1cccc2ccnc(N[C@@H]3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]34)c12 ZINC001551457056 938181978 /nfs/dbraw/zinc/18/19/78/938181978.db2.gz YYSVIJGFXPJLJG-BYNSBNAKSA-N -1 1 296.370 3.454 20 0 CGADMM O=C(Cc1ccc(F)c(F)c1)Nc1ccc([O-])c(F)c1F ZINC001556591910 938204531 /nfs/dbraw/zinc/20/45/31/938204531.db2.gz PRCTXGKQVCRQBK-UHFFFAOYSA-N -1 1 299.223 3.130 20 0 CGADMM O=C(/C=C/c1cccc(F)c1)Nc1ccc([O-])c(F)c1F ZINC001556592215 938204642 /nfs/dbraw/zinc/20/46/42/938204642.db2.gz CETGEAPNTDZBHD-QPJJXVBHSA-N -1 1 293.244 3.461 20 0 CGADMM O=C(NCC[C@H]1CCc2ccccc21)c1ccc(F)c([O-])c1 ZINC001556830402 938206061 /nfs/dbraw/zinc/20/60/61/938206061.db2.gz DLPOGMVCHDIYTH-CYBMUJFWSA-N -1 1 299.345 3.381 20 0 CGADMM Cc1coc(C(=O)Nc2cc(F)cc(F)c2[O-])c1C ZINC001557086883 938207765 /nfs/dbraw/zinc/20/77/65/938207765.db2.gz KEVTYWXDPAJCJZ-UHFFFAOYSA-N -1 1 267.231 3.133 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C1(F)CCCCC1 ZINC001557086742 938207860 /nfs/dbraw/zinc/20/78/60/938207860.db2.gz CJVWXJUOYIRDND-UHFFFAOYSA-N -1 1 273.254 3.281 20 0 CGADMM C[C@H]1CCC[C@H](C2CN(C(=O)c3ccc([O-])c(F)c3)C2)C1 ZINC001558020645 938213100 /nfs/dbraw/zinc/21/31/00/938213100.db2.gz SKLLIERLQSKHOQ-RYUDHWBXSA-N -1 1 291.366 3.430 20 0 CGADMM C[C@@H]1CCC[C@@H](C2CN(C(=O)c3ccc([O-])c(F)c3)C2)C1 ZINC001558020647 938213104 /nfs/dbraw/zinc/21/31/04/938213104.db2.gz SKLLIERLQSKHOQ-VXGBXAGGSA-N -1 1 291.366 3.430 20 0 CGADMM [O-]c1ccc(CNCc2noc3ccccc23)c(F)c1F ZINC001561004413 938288809 /nfs/dbraw/zinc/28/88/09/938288809.db2.gz YDHXVQJCWPKCPT-UHFFFAOYSA-N -1 1 290.269 3.101 20 0 CGADMM O=C(NCc1ccccc1)NCc1ccc([O-])c(Cl)c1 ZINC001563431930 938298927 /nfs/dbraw/zinc/29/89/27/938298927.db2.gz ACEARSNVVYYKLB-UHFFFAOYSA-N -1 1 290.750 3.045 20 0 CGADMM Cc1cccc(CN(C)Cc2ccc(C(=O)[O-])cc2F)c1 ZINC000062756364 957610271 /nfs/dbraw/zinc/61/02/71/957610271.db2.gz GQFWFCWDBQLTQV-UHFFFAOYSA-N -1 1 287.334 3.464 20 0 CGADMM Cc1ccc(CNC(=O)Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001185403201 957888292 /nfs/dbraw/zinc/88/82/92/957888292.db2.gz PAIGSHYQXWIGSY-UHFFFAOYSA-N -1 1 292.285 3.301 20 0 CGADMM Cc1cc(C)c(CNC(=O)c2ccc([O-])cc2F)c(C)c1 ZINC000161972191 957900591 /nfs/dbraw/zinc/90/05/91/957900591.db2.gz QRTUKMTUOPFVKR-UHFFFAOYSA-N -1 1 287.334 3.387 20 0 CGADMM Cc1ccccc1[C@H](NCc1ccccc1F)C(=O)[O-] ZINC000212140644 959709757 /nfs/dbraw/zinc/70/97/57/959709757.db2.gz GNGRLXXJVHOFDX-HNNXBMFYSA-N -1 1 273.307 3.050 20 0 CGADMM O=C([O-])c1cc(CN2CC(Cc3cccs3)C2)cs1 ZINC001602257362 960550032 /nfs/dbraw/zinc/55/00/32/960550032.db2.gz VUQILEGCJXPXPH-UHFFFAOYSA-N -1 1 293.413 3.182 20 0 CGADMM Cc1ccc(C(F)(F)C(=O)[N-]N2[C@H](C)CCC[C@H]2C)cc1 ZINC001568875773 961649915 /nfs/dbraw/zinc/64/99/15/961649915.db2.gz VJRUHFRRKJYGLA-CHWSQXEVSA-N -1 1 296.361 3.381 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCC=C(c2ccccc2)C1 ZINC001568855720 961651221 /nfs/dbraw/zinc/65/12/21/961651221.db2.gz UOOWMHIBNYVEIM-UHFFFAOYSA-N -1 1 297.329 3.461 20 0 CGADMM CC(C)C(=O)c1ccc(NC(=O)c2ccc(N)cc2[O-])cc1 ZINC001575400811 962367907 /nfs/dbraw/zinc/36/79/07/962367907.db2.gz FTOCAJZWKORUMQ-UHFFFAOYSA-N -1 1 298.342 3.065 20 0 CGADMM Cc1cc(NC(=O)Cc2ccc([O-])c(Cl)c2)ccc1N ZINC001579628181 962646267 /nfs/dbraw/zinc/64/62/67/962646267.db2.gz KKBIADWEQJCIJQ-UHFFFAOYSA-N -1 1 290.750 3.117 20 0 CGADMM CC(C)(C)CCCCNC(=O)c1cc(F)ccc1[O-] ZINC001585631238 963028574 /nfs/dbraw/zinc/02/85/74/963028574.db2.gz FTQKVCDDMUCEPD-UHFFFAOYSA-N -1 1 267.344 3.478 20 0 CGADMM C/C=C\C[C@@H]1CCCN(C(=O)c2cccc([O-])c2F)C1 ZINC001586498728 963113867 /nfs/dbraw/zinc/11/38/67/963113867.db2.gz HDYFZIQXOKDIRW-ZZKXABKFSA-N -1 1 277.339 3.350 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001587389280 963188974 /nfs/dbraw/zinc/18/89/74/963188974.db2.gz DWBNFZSPEPCLBV-RYUDHWBXSA-N -1 1 289.281 3.413 20 0 CGADMM C/C(=C\CN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1)C(=O)[O-] ZINC001588959003 963330246 /nfs/dbraw/zinc/33/02/46/963330246.db2.gz DHVSHDTUKREILK-BLMSOEDDSA-N -1 1 299.374 3.039 20 0 CGADMM CC(C)=CCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC001589377168 963984111 /nfs/dbraw/zinc/98/41/11/963984111.db2.gz MHYVBKNSNLUXFB-UHFFFAOYSA-N -1 1 294.362 3.183 20 0 CGADMM CC(C)=CCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC001589377168 963984119 /nfs/dbraw/zinc/98/41/19/963984119.db2.gz MHYVBKNSNLUXFB-UHFFFAOYSA-N -1 1 294.362 3.183 20 0 CGADMM CC(C)CCCSc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589597515 964006391 /nfs/dbraw/zinc/00/63/91/964006391.db2.gz IFDMTNNJTIINSH-UHFFFAOYSA-N -1 1 297.815 3.443 20 0 CGADMM CC(C)CCCSc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589597515 964006400 /nfs/dbraw/zinc/00/64/00/964006400.db2.gz IFDMTNNJTIINSH-UHFFFAOYSA-N -1 1 297.815 3.443 20 0 CGADMM CCCCCCN(CC(=O)[O-])Cc1ccc(C)o1 ZINC001589645913 964012464 /nfs/dbraw/zinc/01/24/64/964012464.db2.gz XALWXMKPEYEJQR-UHFFFAOYSA-N -1 1 253.342 3.055 20 0 CGADMM O=C([O-])c1ccccc1CNCc1cscc1Cl ZINC001606522863 974023161 /nfs/dbraw/zinc/02/31/61/974023161.db2.gz MVJOFORYLQFIOD-UHFFFAOYSA-N -1 1 281.764 3.390 20 0 CGADMM CC(C)c1[nH]c(CN[C@@H](C)c2ccccn2)cc1C(=O)[O-] ZINC001591918000 976380202 /nfs/dbraw/zinc/38/02/02/976380202.db2.gz JGZPDLMVJXPAIY-NSHDSACASA-N -1 1 287.363 3.082 20 0 CGADMM CC(C)c1[nH]c(CNCc2ccccc2F)cc1C(=O)[O-] ZINC001591918730 976384998 /nfs/dbraw/zinc/38/49/98/976384998.db2.gz WISFMFFFSXPXAX-UHFFFAOYSA-N -1 1 290.338 3.265 20 0 CGADMM CC[C@@H](c1ccncc1)N(C)Cc1cc(C(=O)[O-])oc1C ZINC001595364301 980792395 /nfs/dbraw/zinc/79/23/95/980792395.db2.gz SKZAYJHGXNUGCN-AWEZNQCLSA-N -1 1 288.347 3.264 20 0 CGADMM CCC[C@](C)(NCc1oncc1C(=O)[O-])c1ccccc1 ZINC001595560109 981446242 /nfs/dbraw/zinc/44/62/42/981446242.db2.gz WVALWPVQUBUZFY-INIZCTEOSA-N -1 1 288.347 3.178 20 0 CGADMM CCC(C)(C)c1ccc(CN2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC001594814825 981941171 /nfs/dbraw/zinc/94/11/71/981941171.db2.gz YBWQZUAEAVSYFD-QGZVFWFLSA-N -1 1 293.382 3.373 20 0 CGADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)[C@H]1C ZINC001594536773 986155827 /nfs/dbraw/zinc/15/58/27/986155827.db2.gz FPBKKYAUYNZVDD-IUCAKERBSA-N -1 1 287.281 3.244 20 0 CGADMM CCOc1cccc(CN[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001597155924 986955959 /nfs/dbraw/zinc/95/59/59/986955959.db2.gz WDFAWMHYALTBBY-LLVKDONJSA-N -1 1 289.331 3.227 20 0 CGADMM CCc1ccc(C)nc1NC1CCC(C(=O)[O-])CC1 ZINC001597514774 988123321 /nfs/dbraw/zinc/12/33/21/988123321.db2.gz SLCZNNCPIZWVRY-UHFFFAOYSA-N -1 1 262.353 3.008 20 0 CGADMM CC(C)(C)c1coc(CN[C@]2(C)CCCC[C@@H]2C(=O)[O-])n1 ZINC001590526565 990135761 /nfs/dbraw/zinc/13/57/61/990135761.db2.gz CUXYTSMKTAUYTG-BDJLRTHQSA-N -1 1 294.395 3.095 20 0 CGADMM C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1cc(C(=O)[O-])co1 ZINC001593230496 994362960 /nfs/dbraw/zinc/36/29/60/994362960.db2.gz DISOXIFLUHMWIX-LKFCYVNXSA-N -1 1 289.306 3.455 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593686780 996124648 /nfs/dbraw/zinc/12/46/48/996124648.db2.gz MVEKXACVPRGOTA-GARJFASQSA-N -1 1 283.318 3.068 20 0 CGADMM C[C@H](c1nc(C(=O)[O-])co1)N1CC(C)(C)CC(C)(C)C1 ZINC001593726148 996288017 /nfs/dbraw/zinc/28/80/17/996288017.db2.gz ZYPGLDAVPZKQOD-SNVBAGLBSA-N -1 1 280.368 3.192 20 0 CGADMM Cc1ccc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c(C)c1 ZINC000589690709 346808208 /nfs/dbraw/zinc/80/82/08/346808208.db2.gz RNDPGEYDWMYPAB-UHFFFAOYSA-N -1 1 297.383 3.429 20 0 CGADMM C[C@H]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436852357 290618495 /nfs/dbraw/zinc/61/84/95/290618495.db2.gz PGXVSVXYNDREJC-GXSJLCMTSA-N -1 1 267.756 3.306 20 0 CGADMM CO[C@H](C)c1nc(=NCC2(C)CCC(C)CC2)s[n-]1 ZINC000337946943 214324946 /nfs/dbraw/zinc/32/49/46/214324946.db2.gz WRWYLDAINMJYGX-IQLKVPPVSA-N -1 1 283.441 3.296 20 0 CGADMM CCc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])n(C)n1 ZINC000436545954 529551809 /nfs/dbraw/zinc/55/18/09/529551809.db2.gz CXBBNOXLEFZOSR-UHFFFAOYSA-N -1 1 287.363 3.064 20 0 CGADMM Cc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000591726490 346934681 /nfs/dbraw/zinc/93/46/81/346934681.db2.gz ODVNWEJGGJRFNU-UHFFFAOYSA-N -1 1 254.264 3.038 20 0 CGADMM CC[C@H](C(=O)[N-]OCC(C)C)c1ccc(F)cc1 ZINC000127903398 187339754 /nfs/dbraw/zinc/33/97/54/187339754.db2.gz WFMJRULSJPUGPF-ZDUSSCGKSA-N -1 1 253.317 3.023 20 0 CGADMM CN(C)c1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC000436897666 529774760 /nfs/dbraw/zinc/77/47/60/529774760.db2.gz STWXOIRLZPBBQK-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ccc(OC)cc2)n1 ZINC000041627748 344972740 /nfs/dbraw/zinc/97/27/40/344972740.db2.gz MSKGQNJOZLEBED-UHFFFAOYSA-N -1 1 290.388 3.023 20 0 CGADMM Cc1cccc([C@@H]2CCN(C(=O)c3ccc([O-])cc3F)C2)c1 ZINC000273249144 192087225 /nfs/dbraw/zinc/08/72/25/192087225.db2.gz OBEKVCDXFNXURT-CQSZACIVSA-N -1 1 299.345 3.469 20 0 CGADMM C[C@H](CN(C)C(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000080023479 345662418 /nfs/dbraw/zinc/66/24/18/345662418.db2.gz XTALJEKSSUHFLL-GFCCVEGCSA-N -1 1 287.334 3.407 20 0 CGADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1ccc(Cl)cc1Cl ZINC000092926703 345863724 /nfs/dbraw/zinc/86/37/24/345863724.db2.gz JMLWJTUHUHBVFE-KWQFWETISA-N -1 1 288.174 3.288 20 0 CGADMM COc1ccc(-c2nc(C3CCSCC3)no2)c([O-])c1 ZINC000350883892 346525451 /nfs/dbraw/zinc/52/54/51/346525451.db2.gz CDQFLXYKJDCUIJ-UHFFFAOYSA-N -1 1 292.360 3.061 20 0 CGADMM CC1(C)CC(NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000395530531 346578339 /nfs/dbraw/zinc/57/83/39/346578339.db2.gz SOAVOPPPTWKNIC-UHFFFAOYSA-N -1 1 298.180 3.073 20 0 CGADMM COC(=O)c1c[n-]c(S[C@H]2C=CCCCCC2)n1 ZINC000588310526 346759585 /nfs/dbraw/zinc/75/95/85/346759585.db2.gz XEAXVNRSGVHWDW-JTQLQIEISA-N -1 1 266.366 3.177 20 0 CGADMM Cc1ccncc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000351895916 219240891 /nfs/dbraw/zinc/24/08/91/219240891.db2.gz DZNIFLIUOWNAGR-UHFFFAOYSA-N -1 1 283.303 3.116 20 0 CGADMM Cn1ccnc1[C@H](NCc1cccc([O-])c1Cl)C1CC1 ZINC000339392939 215142795 /nfs/dbraw/zinc/14/27/95/215142795.db2.gz YADZYZWPGDWGBF-CQSZACIVSA-N -1 1 291.782 3.020 20 0 CGADMM Cc1cnc(C(=O)N2CCC=C(c3ccccc3)C2)c([O-])c1 ZINC000357004258 232878382 /nfs/dbraw/zinc/87/83/82/232878382.db2.gz JTSCANXMWOJYEV-UHFFFAOYSA-N -1 1 294.354 3.025 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc([C@H]2CCCS2)no1 ZINC000128825209 187392325 /nfs/dbraw/zinc/39/23/25/187392325.db2.gz IQFSSCAPNXGWHV-SNVBAGLBSA-N -1 1 266.297 3.149 20 0 CGADMM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c([O-])cccc1F ZINC000608365877 348301578 /nfs/dbraw/zinc/30/15/78/348301578.db2.gz CNTFCHPAAKKRFD-SECBINFHSA-N -1 1 293.269 3.076 20 0 CGADMM CC(=O)c1csc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000608366818 348301610 /nfs/dbraw/zinc/30/16/10/348301610.db2.gz NKEHLMAONYGZNF-UHFFFAOYSA-N -1 1 279.292 3.048 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cccc(F)c1F ZINC000608365261 348301627 /nfs/dbraw/zinc/30/16/27/348301627.db2.gz DLKYFQWLMWVFPM-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000615221259 348724526 /nfs/dbraw/zinc/72/45/26/348724526.db2.gz KAOWVRXKQWGFIU-SECBINFHSA-N -1 1 298.346 3.037 20 0 CGADMM CC(C)=CCC[C@@H](C)CC(=O)Nc1c(C)[n-][nH]c1=O ZINC000615229777 348725219 /nfs/dbraw/zinc/72/52/19/348725219.db2.gz WULZXZONMNLWQH-SNVBAGLBSA-N -1 1 265.357 3.135 20 0 CGADMM COc1cc(C(=O)N2C[C@@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000616729474 348876003 /nfs/dbraw/zinc/87/60/03/348876003.db2.gz KYEZJEICSPVODN-CABZTGNLSA-N -1 1 295.766 3.069 20 0 CGADMM CC(=O)c1ccc(-c2nc3ccc(C)cc3c(=O)[n-]2)cc1 ZINC000339567759 215246887 /nfs/dbraw/zinc/24/68/87/215246887.db2.gz HHAJHSMRGRRJPX-UHFFFAOYSA-N -1 1 278.311 3.101 20 0 CGADMM CCO[C@@H](c1nc(-c2ccc([O-])cc2F)no1)C(C)C ZINC000624576651 350066476 /nfs/dbraw/zinc/06/64/76/350066476.db2.gz KVEUISQBIBJFDC-GFCCVEGCSA-N -1 1 280.299 3.315 20 0 CGADMM CSc1ccc([O-])c(-c2nc([C@@H]3CC[C@H](C)O3)no2)c1 ZINC000624686402 350084355 /nfs/dbraw/zinc/08/43/55/350084355.db2.gz ONOUNTJOBWXLJU-UFBFGSQYSA-N -1 1 292.360 3.404 20 0 CGADMM O=C(CCC1CCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629376083 350683441 /nfs/dbraw/zinc/68/34/41/350683441.db2.gz QXGRMGPEHIZHJW-UHFFFAOYSA-N -1 1 285.347 3.097 20 0 CGADMM C[C@H]1CC[C@H](C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000629379606 350684917 /nfs/dbraw/zinc/68/49/17/350684917.db2.gz GFQSWOAQXIVHOC-JOCQHMNTSA-N -1 1 299.374 3.343 20 0 CGADMM C/C=C\C[C@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000629872930 350781277 /nfs/dbraw/zinc/78/12/77/350781277.db2.gz NXGAHXLLKSLWIW-DLGQBQFBSA-N -1 1 277.339 3.350 20 0 CGADMM C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630435336 350840118 /nfs/dbraw/zinc/84/01/18/350840118.db2.gz LFIPRJSOELSIPQ-ZWNOBZJWSA-N -1 1 281.783 3.283 20 0 CGADMM CO[C@H]1CCC[C@H]1Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024529 350927710 /nfs/dbraw/zinc/92/77/10/350927710.db2.gz VIEJJYRYTRBAMD-WDEREUQCSA-N -1 1 280.393 3.028 20 0 CGADMM Cc1nc(SCCCCF)[n-]c(=O)c1C1CC1 ZINC000631023882 350928023 /nfs/dbraw/zinc/92/80/23/350928023.db2.gz ZEFHYJZYSDBXFH-UHFFFAOYSA-N -1 1 256.346 3.210 20 0 CGADMM C[C@H](N(C)C(=O)Cc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000630692077 350871033 /nfs/dbraw/zinc/87/10/33/350871033.db2.gz OZRRCUCSWRHOJP-JTQLQIEISA-N -1 1 283.799 3.481 20 0 CGADMM CCCN(CC(C)C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630709501 350876574 /nfs/dbraw/zinc/87/65/74/350876574.db2.gz XVECQEDPRXLTIB-UHFFFAOYSA-N -1 1 283.799 3.483 20 0 CGADMM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631645901 351103870 /nfs/dbraw/zinc/10/38/70/351103870.db2.gz CREZFASKLACIES-RKDXNWHRSA-N -1 1 293.335 3.074 20 0 CGADMM [O-]c1ccc(Cc2nc(C3CCC3)no2)cc1Cl ZINC000632034577 351160762 /nfs/dbraw/zinc/16/07/62/351160762.db2.gz XUJCSMDXCZYTDG-UHFFFAOYSA-N -1 1 264.712 3.287 20 0 CGADMM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632039307 351161239 /nfs/dbraw/zinc/16/12/39/351161239.db2.gz ZWRPOBSUJBGJAR-IUCAKERBSA-N -1 1 295.351 3.320 20 0 CGADMM CCCC1(C[N-]S(=O)(=O)c2ccc(C(F)F)o2)CC1 ZINC000632101554 351167708 /nfs/dbraw/zinc/16/77/08/351167708.db2.gz XMBGPCGVVRBWFM-UHFFFAOYSA-N -1 1 293.335 3.076 20 0 CGADMM C[C@H]1CC[C@@H](c2noc(Cc3ccc([O-])c(Cl)c3)n2)O1 ZINC000632176355 351177416 /nfs/dbraw/zinc/17/74/16/351177416.db2.gz QGSMHLYMHCBQDJ-UFBFGSQYSA-N -1 1 294.738 3.259 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CC12CCCCC2 ZINC000632271312 351188923 /nfs/dbraw/zinc/18/89/23/351188923.db2.gz PHTOTDRYNBDSGM-AWEZNQCLSA-N -1 1 293.794 3.427 20 0 CGADMM O=c1c2c([n-]n1Cc1cccc(C(F)(F)F)c1)CCC2 ZINC000634590571 351527750 /nfs/dbraw/zinc/52/77/50/351527750.db2.gz DADXUNOEJTXVII-LLVKDONJSA-N -1 1 282.265 3.204 20 0 CGADMM CCCc1[n-]n(Cc2cccc(F)c2)c(=O)c1CC ZINC000634589542 351527860 /nfs/dbraw/zinc/52/78/60/351527860.db2.gz AXKMGRQEGBBOGU-ZDUSSCGKSA-N -1 1 262.328 3.350 20 0 CGADMM CCc1c(=O)n(Cc2cccc(F)c2)[n-]c1C(C)C ZINC000634589676 351528016 /nfs/dbraw/zinc/52/80/16/351528016.db2.gz FCMBBMYPOIDLHD-ZDUSSCGKSA-N -1 1 262.328 3.206 20 0 CGADMM CCc1[n-]n(-c2ccc(Cl)cn2)c(=O)c1C(C)C ZINC000634593351 351529920 /nfs/dbraw/zinc/52/99/20/351529920.db2.gz MFUKXFMFYQCCID-LBPRGKRZSA-N -1 1 265.744 3.120 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3cc(F)cc(Cl)c3)c(=O)c21 ZINC000634607029 351539755 /nfs/dbraw/zinc/53/97/55/351539755.db2.gz KGRHXKLCDHCFLO-JMCQJSRRSA-N -1 1 266.703 3.228 20 0 CGADMM CCCc1c(C)[n-]n(Cc2ccc(Cl)cc2)c1=O ZINC000634607270 351540144 /nfs/dbraw/zinc/54/01/44/351540144.db2.gz SDGKVIMHGJOVEX-CYBMUJFWSA-N -1 1 264.756 3.474 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3cc(F)cc(Cl)c3)c(=O)c21 ZINC000634607031 351540192 /nfs/dbraw/zinc/54/01/92/351540192.db2.gz KGRHXKLCDHCFLO-KRTXAFLBSA-N -1 1 266.703 3.228 20 0 CGADMM CCCc1[n-]n(-c2ccc3c(cc[nH]c3=O)c2)c(=O)c1CC ZINC000634611221 351540746 /nfs/dbraw/zinc/54/07/46/351540746.db2.gz PYZVSLZEYASBCP-CYBMUJFWSA-N -1 1 297.358 3.057 20 0 CGADMM CCCc1c(C)[n-]n(CCc2ccccc2F)c1=O ZINC000634612352 351541995 /nfs/dbraw/zinc/54/19/95/351541995.db2.gz WLSXSGKSWGSDTM-CYBMUJFWSA-N -1 1 262.328 3.003 20 0 CGADMM C[C@H](n1[n-]c2c(c1=O)CCCCCC2)C(F)(F)F ZINC000634630918 351552845 /nfs/dbraw/zinc/55/28/45/351552845.db2.gz HIOFLWDRKINFLH-IUCAKERBSA-N -1 1 262.275 3.106 20 0 CGADMM CCCc1c(C)[n-]n([C@H]2CCc3c2cccc3F)c1=O ZINC000634632511 351554209 /nfs/dbraw/zinc/55/42/09/351554209.db2.gz SYKKHTWCGIJFCN-ABAIWWIYSA-N -1 1 274.339 3.447 20 0 CGADMM CCCc1c(C)[n-]n(CCCOCc2ccccc2)c1=O ZINC000634635163 351554780 /nfs/dbraw/zinc/55/47/80/351554780.db2.gz XRYHRBVGNPKZKL-INIZCTEOSA-N -1 1 288.391 3.228 20 0 CGADMM Cc1ncc([C@H](C)NCc2cccc(C(=O)[O-])c2)s1 ZINC000635315954 351650455 /nfs/dbraw/zinc/65/04/55/351650455.db2.gz AELKTFKOSXTFNG-VIFPVBQESA-N -1 1 276.361 3.001 20 0 CGADMM C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000154753489 188159552 /nfs/dbraw/zinc/15/95/52/188159552.db2.gz KGAQDQZSNSZJIP-RBZYPMLTSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](c2ccco2)C1 ZINC000369238358 234364140 /nfs/dbraw/zinc/36/41/40/234364140.db2.gz ROHCBPPVCDPKOR-SNVBAGLBSA-N -1 1 291.734 3.268 20 0 CGADMM Cc1ccc(O)c(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)n1 ZINC000292702858 198382119 /nfs/dbraw/zinc/38/21/19/198382119.db2.gz CNGOJBGBNHGHDN-INIZCTEOSA-N -1 1 283.375 3.074 20 0 CGADMM C[C@H]1CC=C(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000411395132 235052970 /nfs/dbraw/zinc/05/29/70/235052970.db2.gz CSZMOHQNJWWXPE-NSHDSACASA-N -1 1 297.358 3.467 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)C3CC(C)(C)C3)[nH][n-]2)s1 ZINC000352738649 219600213 /nfs/dbraw/zinc/60/02/13/219600213.db2.gz JSKUBLLCCLUNCD-UHFFFAOYSA-N -1 1 289.404 3.243 20 0 CGADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1CCC[C@H](F)C1 ZINC000425141063 236216111 /nfs/dbraw/zinc/21/61/11/236216111.db2.gz FXPPTDQORSINJR-UWVGGRQHSA-N -1 1 293.367 3.027 20 0 CGADMM O=C([O-])c1ccc(CNCc2cc(F)c(F)c(F)c2)cc1 ZINC000426715564 236307595 /nfs/dbraw/zinc/30/75/95/236307595.db2.gz RTTOBBUHZSXVTB-UHFFFAOYSA-N -1 1 295.260 3.092 20 0 CGADMM Cc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426801860 236315499 /nfs/dbraw/zinc/31/54/99/236315499.db2.gz SVIWJXVFXKOLSG-OAHLLOKOSA-N -1 1 273.307 3.050 20 0 CGADMM O=C(Nc1ccc2nc[nH]c2c1)c1ccc(Cl)cc1[O-] ZINC000436537668 237123288 /nfs/dbraw/zinc/12/32/88/237123288.db2.gz YOHJSLVMWGLVAI-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM C[C@H]1N(C(=O)c2ccc3ccccc3c2[O-])CCOC1(C)C ZINC000436593830 237140974 /nfs/dbraw/zinc/14/09/74/237140974.db2.gz CMBJLRQSGDTCNC-GFCCVEGCSA-N -1 1 299.370 3.185 20 0 CGADMM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccccc1[O-] ZINC000436697582 237163018 /nfs/dbraw/zinc/16/30/18/237163018.db2.gz JUKDBMRZQQLTQA-ZDUSSCGKSA-N -1 1 283.327 3.148 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1F ZINC000438764344 238207377 /nfs/dbraw/zinc/20/73/77/238207377.db2.gz OFEGJWPEQHONGK-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC1(CSc2nc(C(F)F)cc(=O)[n-]2)CCC1 ZINC000450957919 240170940 /nfs/dbraw/zinc/17/09/40/240170940.db2.gz LTPRTISVOPGQKH-UHFFFAOYSA-N -1 1 260.309 3.402 20 0 CGADMM O=C(CCc1cncs1)Nc1ccc([O-])c(Cl)c1 ZINC000343306692 216725017 /nfs/dbraw/zinc/72/50/17/216725017.db2.gz WXLZKAHJQUEVIB-UHFFFAOYSA-N -1 1 282.752 3.073 20 0 CGADMM CCOc1cc(-c2nc(CC3CC3)no2)cc(Cl)c1[O-] ZINC000276209594 193243112 /nfs/dbraw/zinc/24/31/12/193243112.db2.gz OTELXWXEJZMGLS-UHFFFAOYSA-N -1 1 294.738 3.447 20 0 CGADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000134613083 371354192 /nfs/dbraw/zinc/35/41/92/371354192.db2.gz YPCZXZDIPRNMAB-UHFFFAOYSA-N -1 1 291.372 3.316 20 0 CGADMM CC(C)c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000138934622 371506646 /nfs/dbraw/zinc/50/66/46/371506646.db2.gz FQTUWCRCFDPMFU-UHFFFAOYSA-N -1 1 271.316 3.474 20 0 CGADMM O=C(NC(C1CCC1)C1CCC1)c1c(F)ccc([O-])c1F ZINC000286847621 371561106 /nfs/dbraw/zinc/56/11/06/371561106.db2.gz ZZNWDXVBRGVEKC-UHFFFAOYSA-N -1 1 295.329 3.369 20 0 CGADMM O=C([O-])C[C@@H](NCc1ccccc1F)c1cccs1 ZINC000037088308 541861538 /nfs/dbraw/zinc/86/15/38/541861538.db2.gz AYFBZUZIQRPHMJ-GFCCVEGCSA-N -1 1 279.336 3.193 20 0 CGADMM O=C(NC1(c2cccc(F)c2)CC1)c1ccc([O-])cc1F ZINC000154916773 371890804 /nfs/dbraw/zinc/89/08/04/371890804.db2.gz ZWGUYAGAZOYIPQ-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000290527124 372009847 /nfs/dbraw/zinc/00/98/47/372009847.db2.gz XWSVXPWLLGXZPU-NXEZZACHSA-N -1 1 283.318 3.227 20 0 CGADMM [O-]c1cccc(CNc2cnn(CC(F)F)c2)c1Cl ZINC000293299319 372348875 /nfs/dbraw/zinc/34/88/75/372348875.db2.gz PKDZTCDWPODPST-UHFFFAOYSA-N -1 1 287.697 3.119 20 0 CGADMM O=C([O-])CCC1CCN(Cc2cccc(F)c2F)CC1 ZINC000050926702 541875511 /nfs/dbraw/zinc/87/55/11/541875511.db2.gz JOZMZOZAIMNEDY-UHFFFAOYSA-N -1 1 283.318 3.042 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cn1 ZINC000430980372 372413727 /nfs/dbraw/zinc/41/37/27/372413727.db2.gz DOKFVAPXGKTHOD-UHFFFAOYSA-N -1 1 290.388 3.314 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC(C2CCCCC2)C1 ZINC000294414694 372654398 /nfs/dbraw/zinc/65/43/98/372654398.db2.gz UJHPEEKJCLTZRB-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000148890781 296195017 /nfs/dbraw/zinc/19/50/17/296195017.db2.gz MRVYALUSYQHHQU-HUUCEWRRSA-N -1 1 281.355 3.418 20 0 CGADMM O=S(=O)([N-]c1ccsc1)c1ccc2c(c1)CCC2 ZINC000174253102 373275968 /nfs/dbraw/zinc/27/59/68/373275968.db2.gz UOOIMSMCKIMKSK-UHFFFAOYSA-N -1 1 279.386 3.038 20 0 CGADMM O=C(c1cncc([O-])c1)N1CC2(CCCC2)c2ccccc21 ZINC000176276267 373576612 /nfs/dbraw/zinc/57/66/12/373576612.db2.gz IYPAWNJPGUJJNL-UHFFFAOYSA-N -1 1 294.354 3.259 20 0 CGADMM C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)[C@H]1C(=O)[O-] ZINC000300274774 373624200 /nfs/dbraw/zinc/62/42/00/373624200.db2.gz UKAVNEQULBIIDL-NOZJJQNGSA-N -1 1 285.746 3.164 20 0 CGADMM CC(C)Cc1nsc([N-]c2cnn(C(C)(C)C)c2)n1 ZINC000302295862 373849694 /nfs/dbraw/zinc/84/96/94/373849694.db2.gz OOAVZNQZVNKWLV-UHFFFAOYSA-N -1 1 279.413 3.432 20 0 CGADMM O=C(Nc1ccc2ncccc2c1)c1ccc([O-])cc1F ZINC000181168294 374089119 /nfs/dbraw/zinc/08/91/19/374089119.db2.gz HUOXAQJKAUPYIV-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CC(C)(NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000312207237 374272247 /nfs/dbraw/zinc/27/22/47/374272247.db2.gz ABNUDTGTNQFGAI-UHFFFAOYSA-N -1 1 273.307 3.196 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c([O-])c1 ZINC000331204507 374511874 /nfs/dbraw/zinc/51/18/74/374511874.db2.gz OIFPYPRKKOOABV-UKRRQHHQSA-N -1 1 296.370 3.114 20 0 CGADMM Cn1ccc2c1cccc2C(=O)Nc1c([O-])cccc1F ZINC000089541626 541953112 /nfs/dbraw/zinc/95/31/12/541953112.db2.gz QVEJCGVLLPJXDN-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM CCc1cc(=O)n(-c2ccc(C(F)(F)F)cc2)[n-]1 ZINC000090750031 541963856 /nfs/dbraw/zinc/96/38/56/541963856.db2.gz PZKMHQWKRDRBOH-UHFFFAOYSA-N -1 1 256.227 3.208 20 0 CGADMM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccsc1 ZINC000091780476 541969729 /nfs/dbraw/zinc/96/97/29/541969729.db2.gz VMGRQSWFLKKAHW-SECBINFHSA-N -1 1 265.334 3.232 20 0 CGADMM CCC1(NC(=O)c2ccc3ccccc3c2[O-])CCOCC1 ZINC000332653055 374584718 /nfs/dbraw/zinc/58/47/18/374584718.db2.gz ZSQVEVNUQIOENU-UHFFFAOYSA-N -1 1 299.370 3.234 20 0 CGADMM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1cncc([O-])c1 ZINC000334228635 206222275 /nfs/dbraw/zinc/22/22/75/206222275.db2.gz HCWAFQQIGJFBNY-ZFWWWQNUSA-N -1 1 296.370 3.196 20 0 CGADMM CC[C@@H]1CC[C@H](C)N(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000456817286 374630148 /nfs/dbraw/zinc/63/01/48/374630148.db2.gz IBPYRBXWCLXUCX-VHSXEESVSA-N -1 1 283.318 3.321 20 0 CGADMM CCOCCC1(C(=O)Nc2ccc([O-])c(F)c2F)CCC1 ZINC000456785674 374621832 /nfs/dbraw/zinc/62/18/32/374621832.db2.gz NWPSYHLGGGTCET-UHFFFAOYSA-N -1 1 299.317 3.206 20 0 CGADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1ccc([O-])c(F)c1F ZINC000456784623 374622475 /nfs/dbraw/zinc/62/24/75/374622475.db2.gz MGCWQUSJLFSUBA-XHNCKOQMSA-N -1 1 267.275 3.045 20 0 CGADMM CC[C@H]1C[C@@H](CC(=O)Nc2ccc([O-])c(F)c2F)CCO1 ZINC000456791072 374625298 /nfs/dbraw/zinc/62/52/98/374625298.db2.gz XFLWPELDVKWGFE-UWVGGRQHSA-N -1 1 299.317 3.204 20 0 CGADMM COC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCCC1 ZINC000185403406 374657785 /nfs/dbraw/zinc/65/77/85/374657785.db2.gz LOCPBBBYRVKHKP-UHFFFAOYSA-N -1 1 283.755 3.333 20 0 CGADMM CCc1nc(C)c(C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000334493271 374791649 /nfs/dbraw/zinc/79/16/49/374791649.db2.gz IPLNJZHWPYQWBR-UHFFFAOYSA-N -1 1 280.711 3.157 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ncccc1Cl ZINC000334543909 374841332 /nfs/dbraw/zinc/84/13/32/374841332.db2.gz RPGPERKMEOBUMJ-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM CC(C)(c1nc(-c2ccc([O-])c(F)c2)no1)C(F)F ZINC000335149451 375176286 /nfs/dbraw/zinc/17/62/86/375176286.db2.gz QQFQXWYEISNFAB-UHFFFAOYSA-N -1 1 272.226 3.124 20 0 CGADMM CC(C)(C(=O)Nc1ccc([O-])c(F)c1F)C(C)(F)F ZINC000335213873 375232623 /nfs/dbraw/zinc/23/26/23/375232623.db2.gz CTOMHIPHGMTSSG-UHFFFAOYSA-N -1 1 279.233 3.290 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3C(F)F)n2)c(Cl)c1 ZINC000336158066 375735714 /nfs/dbraw/zinc/73/57/14/375735714.db2.gz KBODUKJYMIZSPY-YUMQZZPRSA-N -1 1 286.665 3.464 20 0 CGADMM CO[C@@H](C)c1nc(=NCC2CCC(C)(C)CC2)s[n-]1 ZINC000336815989 375970911 /nfs/dbraw/zinc/97/09/11/375970911.db2.gz JZYRRDNMIQGDRD-JTQLQIEISA-N -1 1 283.441 3.296 20 0 CGADMM CC1=CCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000535890020 376070135 /nfs/dbraw/zinc/07/01/35/376070135.db2.gz XTSPPQRDWSQXCZ-UHFFFAOYSA-N -1 1 296.374 3.017 20 0 CGADMM CCc1cc(=O)[n-]c(C[N@@H+](C)[C@H](C)C2CCCCC2)n1 ZINC000338354169 376347308 /nfs/dbraw/zinc/34/73/08/376347308.db2.gz IDPWTAOXTXTASW-GFCCVEGCSA-N -1 1 277.412 3.145 20 0 CGADMM Cc1ccc(Cl)c(NC(=O)c2cncc([O-])c2)c1 ZINC000232214629 376579409 /nfs/dbraw/zinc/57/94/09/376579409.db2.gz BMVIQFLSEXMZGE-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM C[C@@H]1CCCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000334337773 206390836 /nfs/dbraw/zinc/39/08/36/206390836.db2.gz WOTRTDDLUBKSFF-SNVBAGLBSA-N -1 1 277.393 3.161 20 0 CGADMM O=C(Nc1csc2ccccc12)c1cncc([O-])c1 ZINC000340007298 376892417 /nfs/dbraw/zinc/89/24/17/376892417.db2.gz MUOZCKVMLVJCFS-UHFFFAOYSA-N -1 1 270.313 3.254 20 0 CGADMM Cc1noc(C)c1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC000340254910 376965911 /nfs/dbraw/zinc/96/59/11/376965911.db2.gz DBYUHIJPXOTVQK-UHFFFAOYSA-N -1 1 289.316 3.260 20 0 CGADMM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340331478 377007668 /nfs/dbraw/zinc/00/76/68/377007668.db2.gz ULPPAKMURZDMBP-SECBINFHSA-N -1 1 293.269 3.076 20 0 CGADMM Cc1ccccc1[C@H]([N-]C(=O)C(F)(F)F)C1CC1 ZINC000264807116 190135803 /nfs/dbraw/zinc/13/58/03/190135803.db2.gz OIRGTFUGDJBHHV-LLVKDONJSA-N -1 1 257.255 3.125 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccco2)cc1F ZINC000574533879 377677911 /nfs/dbraw/zinc/67/79/11/377677911.db2.gz SSLZBUIMBBVBDJ-AWEZNQCLSA-N -1 1 289.306 3.454 20 0 CGADMM Cc1csc([C@@H]2CCCC[N@H+]2CCCCC(=O)[O-])n1 ZINC000262253504 377892127 /nfs/dbraw/zinc/89/21/27/377892127.db2.gz QBTLEJLIJCOQBC-LBPRGKRZSA-N -1 1 282.409 3.233 20 0 CGADMM Cc1csc([C@@H]2CCCCN2CCCCC(=O)[O-])n1 ZINC000262253504 377892132 /nfs/dbraw/zinc/89/21/32/377892132.db2.gz QBTLEJLIJCOQBC-LBPRGKRZSA-N -1 1 282.409 3.233 20 0 CGADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cccc(Cl)c2F)C1 ZINC000263369939 377929510 /nfs/dbraw/zinc/92/95/10/377929510.db2.gz VBSCVAWFNIIPET-GXSJLCMTSA-N -1 1 285.746 3.022 20 0 CGADMM Cc1cc(F)c(CN2CCC[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000263444625 377937337 /nfs/dbraw/zinc/93/73/37/377937337.db2.gz XMYGRCDFFLIBCS-SNVBAGLBSA-N -1 1 285.746 3.084 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])CC1(C)C ZINC000274252145 378797684 /nfs/dbraw/zinc/79/76/84/378797684.db2.gz SYMQKEZTLDIPQK-SNVBAGLBSA-N -1 1 265.328 3.040 20 0 CGADMM O=C([N-]OCCC(F)(F)F)[C@@H]1CCCc2ccccc21 ZINC000275213435 378949776 /nfs/dbraw/zinc/94/97/76/378949776.db2.gz LFPMETAFQOLXOG-GFCCVEGCSA-N -1 1 287.281 3.107 20 0 CGADMM Cc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)no1 ZINC000350815019 379589628 /nfs/dbraw/zinc/58/96/28/379589628.db2.gz MCFGCKBNTGPGQE-UHFFFAOYSA-N -1 1 277.667 3.059 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc(Cl)o3)no2)c(F)c1 ZINC000350903553 379606624 /nfs/dbraw/zinc/60/66/24/379606624.db2.gz BFMHPKKYHGRYMO-UHFFFAOYSA-N -1 1 280.642 3.495 20 0 CGADMM Cc1nc(SCc2ccns2)[n-]c(=O)c1C1CC1 ZINC000641542747 380022757 /nfs/dbraw/zinc/02/27/57/380022757.db2.gz LJILMVXVUVIQJN-UHFFFAOYSA-N -1 1 279.390 3.117 20 0 CGADMM [O-]c1cccc(CN2CCc3ncsc3C2)c1Cl ZINC000353098796 380114727 /nfs/dbraw/zinc/11/47/27/380114727.db2.gz QNYHWWXQYFOLHT-UHFFFAOYSA-N -1 1 280.780 3.060 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H]2CCCCCC2=O)n1 ZINC000641888304 380118969 /nfs/dbraw/zinc/11/89/69/380118969.db2.gz MPORUHNPLYEBGX-LBPRGKRZSA-N -1 1 280.393 3.129 20 0 CGADMM CCc1nc(C)c([N-]S(=O)(=O)CCC(C)(C)C)s1 ZINC000357085394 381024172 /nfs/dbraw/zinc/02/41/72/381024172.db2.gz SRIHGDKVSIGIHG-UHFFFAOYSA-N -1 1 290.454 3.192 20 0 CGADMM CCOCc1nc(=O)c2c3ccccc3sc2[n-]1 ZINC000361408059 381734669 /nfs/dbraw/zinc/73/46/69/381734669.db2.gz KMJWPIDJQSPOIP-UHFFFAOYSA-N -1 1 260.318 3.087 20 0 CGADMM COc1ccc(CSc2nc(C)c(C)c(=O)[n-]2)cc1F ZINC000539617716 288623007 /nfs/dbraw/zinc/62/30/07/288623007.db2.gz RQRFPPBVUFUBAV-UHFFFAOYSA-N -1 1 294.351 3.239 20 0 CGADMM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cncc([O-])c2)C1 ZINC000286219168 542391885 /nfs/dbraw/zinc/39/18/85/542391885.db2.gz CXINJYOJPCGBHE-WBMJQRKESA-N -1 1 282.343 3.011 20 0 CGADMM O=C([O-])c1csc(CN2CCC3(CCCCC3)CC2)n1 ZINC000328440141 542444257 /nfs/dbraw/zinc/44/42/57/542444257.db2.gz ZPHVUDURMYODQT-UHFFFAOYSA-N -1 1 294.420 3.388 20 0 CGADMM CC[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCCO1 ZINC000281528283 195276913 /nfs/dbraw/zinc/27/69/13/195276913.db2.gz MABQMLKQSZBJHR-CQSZACIVSA-N -1 1 299.370 3.187 20 0 CGADMM CO[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@@H](C)C1 ZINC000281674790 195330890 /nfs/dbraw/zinc/33/08/90/195330890.db2.gz DWXDHPDLSIEGLX-GXTWGEPZSA-N -1 1 299.370 3.185 20 0 CGADMM COc1cc(C(=O)N(CC(C)C)C2CC2)cc(Cl)c1[O-] ZINC000358905120 533512708 /nfs/dbraw/zinc/51/27/08/533512708.db2.gz OYCLASIFKNGGHW-UHFFFAOYSA-N -1 1 297.782 3.315 20 0 CGADMM C[C@H]1CN(Cc2ccc(Cl)cc2F)CC[C@@H]1C(=O)[O-] ZINC000394038870 542613530 /nfs/dbraw/zinc/61/35/30/542613530.db2.gz OASRNXSKOFXJQI-CABZTGNLSA-N -1 1 285.746 3.022 20 0 CGADMM Cc1ncc(CNC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000048568255 392002593 /nfs/dbraw/zinc/00/25/93/392002593.db2.gz LJSRWTTUHQIEEI-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM C[C@@H](c1cccs1)N(C)Cc1ccoc1C(=O)[O-] ZINC000049727596 392059003 /nfs/dbraw/zinc/05/90/03/392059003.db2.gz SRAKSIQSENLHCF-VIFPVBQESA-N -1 1 265.334 3.232 20 0 CGADMM CC1(C)CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000063072973 392135011 /nfs/dbraw/zinc/13/50/11/392135011.db2.gz AXEOVBFVOWDDBW-UHFFFAOYSA-N -1 1 298.180 3.169 20 0 CGADMM C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@H](C(=O)[O-])C1 ZINC000086790093 392224814 /nfs/dbraw/zinc/22/48/14/392224814.db2.gz JWPNUVWJDXVWIL-BDAKNGLRSA-N -1 1 288.174 3.461 20 0 CGADMM O=C(NC1CC(c2ccccc2)C1)c1ccc([O-])cc1F ZINC000163160542 392602739 /nfs/dbraw/zinc/60/27/39/392602739.db2.gz MPEZPYOCRKKVBA-UHFFFAOYSA-N -1 1 285.318 3.207 20 0 CGADMM O=C([O-])[C@@H]1CC[C@H](N[C@H](CCc2ccccc2)C(F)F)C1 ZINC000647468642 392731744 /nfs/dbraw/zinc/73/17/44/392731744.db2.gz VDFZBEGTWHQNPQ-HZSPNIEDSA-N -1 1 297.345 3.096 20 0 CGADMM O=c1[n-]c(Sc2ccccc2F)nc2cccnc21 ZINC000491535832 542717437 /nfs/dbraw/zinc/71/74/37/542717437.db2.gz ZNLCJEAZLHJICI-UHFFFAOYSA-N -1 1 273.292 3.021 20 0 CGADMM Cc1cc(F)ccc1CN(C)Cc1ccc(C(=O)[O-])o1 ZINC000522008814 542739966 /nfs/dbraw/zinc/73/99/66/542739966.db2.gz SYQJECBAWNSPMR-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2ccccc2)[n-]1 ZINC000470443864 393245150 /nfs/dbraw/zinc/24/51/50/393245150.db2.gz AZSJAXSYSRPXNW-UHFFFAOYSA-N -1 1 258.346 3.352 20 0 CGADMM CCCCC[C@@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000280773963 393344913 /nfs/dbraw/zinc/34/49/13/393344913.db2.gz MVEMLMLXPPLGBY-SECBINFHSA-N -1 1 271.307 3.369 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000443460966 393758079 /nfs/dbraw/zinc/75/80/79/393758079.db2.gz BOQRVKRQVKFFFA-UHFFFAOYSA-N -1 1 297.326 3.328 20 0 CGADMM CC(C)COCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445444075 393793863 /nfs/dbraw/zinc/79/38/63/393793863.db2.gz DYUFCHBUNGKSJT-UHFFFAOYSA-N -1 1 296.754 3.311 20 0 CGADMM CC(C)[C@H](C)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445481470 393798547 /nfs/dbraw/zinc/79/85/47/393798547.db2.gz PJABPCZIHJNERT-SECBINFHSA-N -1 1 264.300 3.416 20 0 CGADMM CC(C)c1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)on1 ZINC000445478803 393798772 /nfs/dbraw/zinc/79/87/72/393798772.db2.gz IDGYQDLDGVXWEX-UHFFFAOYSA-N -1 1 289.266 3.360 20 0 CGADMM CC[C@@]1(C)C[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483854 393798786 /nfs/dbraw/zinc/79/87/86/393798786.db2.gz VPQAIUAIDHVQAP-OTYXRUKQSA-N -1 1 262.284 3.485 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)[C@@H]1CCC[C@@H](C)C1 ZINC000457006857 394310024 /nfs/dbraw/zinc/31/00/24/394310024.db2.gz PRZPGEATGLFHQV-GRYCIOLGSA-N -1 1 279.355 3.476 20 0 CGADMM CC[C@H](C)CN(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000668564725 543027789 /nfs/dbraw/zinc/02/77/89/543027789.db2.gz SMJCYHTZRJSBGD-NSHDSACASA-N -1 1 272.348 3.059 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000671785023 543190016 /nfs/dbraw/zinc/19/00/16/543190016.db2.gz UDGHSQVPJOEBGW-JGVFFNPUSA-N -1 1 291.244 3.448 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]2C[C@@H]21 ZINC000672135209 543200336 /nfs/dbraw/zinc/20/03/36/543200336.db2.gz WPONBNSXQOAMKV-DOMZBBRYSA-N -1 1 267.328 3.170 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000047215466 397631038 /nfs/dbraw/zinc/63/10/38/397631038.db2.gz GRWRAFGVSCUKLY-UHFFFAOYSA-N -1 1 275.373 3.413 20 0 CGADMM C[C@H]1CN(Cc2cc(F)cc(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000388580355 397690916 /nfs/dbraw/zinc/69/09/16/397690916.db2.gz WCLLLZKRVQYLDD-TVQRCGJNSA-N -1 1 285.746 3.022 20 0 CGADMM CC(C)n1ccnc1SCC(=O)c1ccc([O-])cc1 ZINC000650367316 397830926 /nfs/dbraw/zinc/83/09/26/397830926.db2.gz RIQXVRKFYMNKTI-UHFFFAOYSA-N -1 1 276.361 3.145 20 0 CGADMM CC1(C)CN(C(=O)c2ccccc2[O-])c2ccccc21 ZINC000675114841 543315511 /nfs/dbraw/zinc/31/55/11/543315511.db2.gz JKXFIGATRRIRKO-UHFFFAOYSA-N -1 1 267.328 3.330 20 0 CGADMM CCN(C[C@@H]1CCOC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000677873483 543469779 /nfs/dbraw/zinc/46/97/79/543469779.db2.gz IKDRNQQBBBKDFM-ZDUSSCGKSA-N -1 1 299.370 3.044 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc2ccccn2c1 ZINC000678374600 543519003 /nfs/dbraw/zinc/51/90/03/543519003.db2.gz SPMZTLHPQMRYNO-UHFFFAOYSA-N -1 1 270.263 3.036 20 0 CGADMM O=C(CCOc1cccc(F)c1)Nc1c([O-])cccc1F ZINC000678374284 543519054 /nfs/dbraw/zinc/51/90/54/543519054.db2.gz BBCLJJNPLGFPOL-UHFFFAOYSA-N -1 1 293.269 3.078 20 0 CGADMM CCC1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000048584470 286908260 /nfs/dbraw/zinc/90/82/60/286908260.db2.gz GQHZURIVRVDGKO-UHFFFAOYSA-N -1 1 277.393 3.019 20 0 CGADMM CN(Cc1ccccn1)C(=O)c1ccc2ccccc2c1[O-] ZINC000078395165 287048533 /nfs/dbraw/zinc/04/85/33/287048533.db2.gz QNQJNZKGEQTNBL-UHFFFAOYSA-N -1 1 292.338 3.213 20 0 CGADMM O=C(c1ncccc1[O-])N1CCC[C@@H](c2ccccc2)CC1 ZINC000067179488 165037701 /nfs/dbraw/zinc/03/77/01/165037701.db2.gz PVRZCHVPXJBOFL-OAHLLOKOSA-N -1 1 296.370 3.197 20 0 CGADMM Cc1occc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082192618 165168972 /nfs/dbraw/zinc/16/89/72/165168972.db2.gz MBXYGMQXHDVKNQ-UHFFFAOYSA-N -1 1 251.669 3.199 20 0 CGADMM O=C(NCc1cc(F)ccc1F)c1cc(Cl)ccc1[O-] ZINC000111235183 287133663 /nfs/dbraw/zinc/13/36/63/287133663.db2.gz URYQHHQQGIOMAH-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM O=C(NCCc1cccc(F)c1)c1ccc(Cl)cc1[O-] ZINC000035137479 172004462 /nfs/dbraw/zinc/00/44/62/172004462.db2.gz AMLOGNRQQAUOLS-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM CCCc1nnc([N-]C(=O)c2c(F)cccc2F)s1 ZINC000045905001 175386244 /nfs/dbraw/zinc/38/62/44/175386244.db2.gz OBZGOTPTBARUMX-UHFFFAOYSA-N -1 1 283.303 3.021 20 0 CGADMM CC[C@H](Sc1ncc(C)c(=O)[n-]1)C(=O)c1ccccc1 ZINC000312513281 416533770 /nfs/dbraw/zinc/53/37/70/416533770.db2.gz HDSOLGSDXNAMPF-LBPRGKRZSA-N -1 1 288.372 3.244 20 0 CGADMM CC[C@@H]1CO[C@@H](CC)CN1Cc1cccc([O-])c1Cl ZINC000403847710 416550431 /nfs/dbraw/zinc/55/04/31/416550431.db2.gz RDBFZYLUXVNDBY-OLZOCXBDSA-N -1 1 283.799 3.435 20 0 CGADMM C[C@H](c1ccccc1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681016473 543756887 /nfs/dbraw/zinc/75/68/87/543756887.db2.gz XWHQRZYECHLEKQ-LLVKDONJSA-N -1 1 273.307 3.365 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N(C1CC1)C1CCCCC1 ZINC000681020652 543757945 /nfs/dbraw/zinc/75/79/45/543757945.db2.gz HUIMVFSMIPUEDP-UHFFFAOYSA-N -1 1 277.339 3.469 20 0 CGADMM CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681042679 543759892 /nfs/dbraw/zinc/75/98/92/543759892.db2.gz RTPQVHMHSLUCDC-OCCSQVGLSA-N -1 1 279.355 3.476 20 0 CGADMM O=C(NC1(c2ccccc2F)CC1)c1ccc([O-])c(F)c1 ZINC000681047798 543760338 /nfs/dbraw/zinc/76/03/38/543760338.db2.gz IDMMMTCLSIABGV-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc([O-])c(F)c1 ZINC000681048355 543760707 /nfs/dbraw/zinc/76/07/07/543760707.db2.gz UVUXHLWWSFLDIR-MRXNPFEDSA-N -1 1 299.345 3.282 20 0 CGADMM C[C@H](CNC(=O)c1ccc([O-])c(F)c1)Cc1cccs1 ZINC000681050708 543761610 /nfs/dbraw/zinc/76/16/10/543761610.db2.gz KUMAYUXNUKNTEN-JTQLQIEISA-N -1 1 293.363 3.201 20 0 CGADMM CC(C)CCn1ccc(NC(=O)c2ccc([O-])c(F)c2)n1 ZINC000681056498 543762046 /nfs/dbraw/zinc/76/20/46/543762046.db2.gz KKULIFBAHOZWBS-UHFFFAOYSA-N -1 1 291.326 3.026 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C[C@H](C)C1 ZINC000681057741 543762130 /nfs/dbraw/zinc/76/21/30/543762130.db2.gz BURPHZBRUKZSIG-WDEREUQCSA-N -1 1 265.328 3.040 20 0 CGADMM CC(C)(C)C1=CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681058707 543762152 /nfs/dbraw/zinc/76/21/52/543762152.db2.gz CROCZDGRPGCTRF-UHFFFAOYSA-N -1 1 277.339 3.350 20 0 CGADMM CCCCn1ncc(NC(=O)c2ccc([O-])c(F)c2)c1C ZINC000681059254 543762387 /nfs/dbraw/zinc/76/23/87/543762387.db2.gz YYVBEARTDHPULB-UHFFFAOYSA-N -1 1 291.326 3.089 20 0 CGADMM CC(C)C1CCC(NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681057150 543762556 /nfs/dbraw/zinc/76/25/56/543762556.db2.gz SDUCUZYJEOVXQW-UHFFFAOYSA-N -1 1 279.355 3.476 20 0 CGADMM O=C(NCCCCc1ccccc1)c1c([O-])cccc1F ZINC000681222258 543774424 /nfs/dbraw/zinc/77/44/24/543774424.db2.gz LPAYTXVVUQEESL-UHFFFAOYSA-N -1 1 287.334 3.284 20 0 CGADMM Cc1cnc(C(=O)N2CCCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000681746280 543805535 /nfs/dbraw/zinc/80/55/35/543805535.db2.gz OGEDMYRMPRFYOV-OAHLLOKOSA-N -1 1 296.370 3.463 20 0 CGADMM C[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000682391209 543839854 /nfs/dbraw/zinc/83/98/54/543839854.db2.gz SGAYTFAMSIZWNH-CMPLNLGQSA-N -1 1 265.328 3.230 20 0 CGADMM CC(C)C(CNC(=O)c1ccc([O-])c(F)c1)C(C)C ZINC000683636338 543930553 /nfs/dbraw/zinc/93/05/53/543930553.db2.gz CWQCRANNPWJVRR-UHFFFAOYSA-N -1 1 267.344 3.189 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc([O-])cc2F)[C@@H]1C ZINC000436593277 287397348 /nfs/dbraw/zinc/39/73/48/287397348.db2.gz AKQSJBIHFQKJDA-UTUOFQBUSA-N -1 1 279.355 3.333 20 0 CGADMM O=C(Nc1cccc2ccncc21)c1cc(F)ccc1[O-] ZINC000132906165 287413432 /nfs/dbraw/zinc/41/34/32/287413432.db2.gz DWKYYUKQYOKCEC-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CCCCN(CCOC)Cc1cccc(C(=O)[O-])c1Cl ZINC000652411374 418964177 /nfs/dbraw/zinc/96/41/77/418964177.db2.gz DSJKVELPQATNHD-UHFFFAOYSA-N -1 1 299.798 3.287 20 0 CGADMM C[C@H](CC(F)(F)F)C(=O)Nc1c([O-])cccc1F ZINC000655032601 419016003 /nfs/dbraw/zinc/01/60/03/419016003.db2.gz LQPNSHWKESWXDA-ZCFIWIBFSA-N -1 1 265.206 3.058 20 0 CGADMM C[C@H](CC(C)(C)C)NC(=O)c1ccc([O-])c(F)c1 ZINC000654648752 418993399 /nfs/dbraw/zinc/99/33/99/418993399.db2.gz WMRLJXMCFAFFNE-SECBINFHSA-N -1 1 253.317 3.086 20 0 CGADMM Cc1ccc(CN(C)Cc2ncccc2C(=O)[O-])cc1C ZINC000659797253 418993852 /nfs/dbraw/zinc/99/38/52/418993852.db2.gz DYWKOSXFVWLZCQ-UHFFFAOYSA-N -1 1 284.359 3.029 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1scnc1C1CC1 ZINC000652877062 418997174 /nfs/dbraw/zinc/99/71/74/418997174.db2.gz MUICDISXWHIPKE-UHFFFAOYSA-N -1 1 291.401 3.390 20 0 CGADMM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000665666714 419146183 /nfs/dbraw/zinc/14/61/83/419146183.db2.gz FQIMLTONCHAJHR-WCQYABFASA-N -1 1 279.355 3.476 20 0 CGADMM C[C@@H](C1CC1)N(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000666278176 419205840 /nfs/dbraw/zinc/20/58/40/419205840.db2.gz GINFURQQMOKJDJ-NSHDSACASA-N -1 1 296.370 3.344 20 0 CGADMM O=C([O-])[C@H]1CCc2cc(-c3cc(C(F)(F)F)n[nH]3)ccc21 ZINC000657202877 419230441 /nfs/dbraw/zinc/23/04/41/419230441.db2.gz APKBEMUYJDUCLS-JTQLQIEISA-N -1 1 296.248 3.210 20 0 CGADMM C[C@@H](Cc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1)C(=O)[O-] ZINC000657203403 419230569 /nfs/dbraw/zinc/23/05/69/419230569.db2.gz VJDWLLKKKVMZOS-QMMMGPOBSA-N -1 1 298.264 3.359 20 0 CGADMM CSc1ccc([O-])c(-c2nc(C(C)C)no2)c1 ZINC000663307232 419547156 /nfs/dbraw/zinc/54/71/56/419547156.db2.gz WROJENHINRSHBC-UHFFFAOYSA-N -1 1 250.323 3.288 20 0 CGADMM CCC1CCC(CNC(=O)c2ccc([O-])cc2F)CC1 ZINC000226269066 287634211 /nfs/dbraw/zinc/63/42/11/287634211.db2.gz RYDCVGHVGAUNGC-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM CC(C)(C)c1csc(NC(=O)c2ccc(O)cc2[O-])n1 ZINC000219999144 260083225 /nfs/dbraw/zinc/08/32/25/260083225.db2.gz HAKKCXSAVRFVSN-UHFFFAOYSA-N -1 1 292.360 3.104 20 0 CGADMM Cc1cc([C@@H](C)NC(=O)c2ccc([O-])cc2F)c(C)o1 ZINC000181187249 260573237 /nfs/dbraw/zinc/57/32/37/260573237.db2.gz COUPQPOUCNBINU-SECBINFHSA-N -1 1 277.295 3.232 20 0 CGADMM CN(Cc1cscn1)C(=O)c1cc2ccccc2cc1[O-] ZINC000042462470 270032995 /nfs/dbraw/zinc/03/29/95/270032995.db2.gz OZDHVHITKJLQRX-UHFFFAOYSA-N -1 1 298.367 3.274 20 0 CGADMM O=C(Nc1cccc(OC(F)F)c1)c1ccccc1[O-] ZINC000044580401 270037335 /nfs/dbraw/zinc/03/73/35/270037335.db2.gz SHZKKPKVKOTOMF-UHFFFAOYSA-N -1 1 279.242 3.246 20 0 CGADMM CCCCOCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000045109970 270038064 /nfs/dbraw/zinc/03/80/64/270038064.db2.gz QXYIPVMTLVBAAK-UHFFFAOYSA-N -1 1 287.359 3.092 20 0 CGADMM C[C@H]1Cc2ccccc2N(C(=O)c2ccccc2[O-])C1 ZINC000105378753 270047642 /nfs/dbraw/zinc/04/76/42/270047642.db2.gz QTJIEADRYWLXQU-LBPRGKRZSA-N -1 1 267.328 3.231 20 0 CGADMM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cncc([O-])c3)C2)c1 ZINC000182914625 270054361 /nfs/dbraw/zinc/05/43/61/270054361.db2.gz VRAOUHKWXFYPLB-CQSZACIVSA-N -1 1 296.370 3.034 20 0 CGADMM COc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000228842140 270087930 /nfs/dbraw/zinc/08/79/30/270087930.db2.gz RBKJLIHGBXMNLP-SNVBAGLBSA-N -1 1 289.306 3.031 20 0 CGADMM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000230181777 270088804 /nfs/dbraw/zinc/08/88/04/270088804.db2.gz BRVLCMLCUZIUOL-SNVBAGLBSA-N -1 1 265.328 3.040 20 0 CGADMM O=C(/C=C\c1cccnc1)Nc1ccc([O-])c(Cl)c1 ZINC000255420385 287866512 /nfs/dbraw/zinc/86/65/12/287866512.db2.gz AYIHCHSGOSMUAV-UTCJRWHESA-N -1 1 274.707 3.093 20 0 CGADMM CC(C)=CCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000397778532 288030420 /nfs/dbraw/zinc/03/04/20/288030420.db2.gz YAWOVRUMGVCTNP-UHFFFAOYSA-N -1 1 253.729 3.132 20 0 CGADMM O=C(NCCC[C@@H]1CCOC1)c1cc2ccccc2cc1[O-] ZINC000401379333 288055912 /nfs/dbraw/zinc/05/59/12/288055912.db2.gz ILUZBAGJBAPXGD-CYBMUJFWSA-N -1 1 299.370 3.092 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC000494891876 279007939 /nfs/dbraw/zinc/00/79/39/279007939.db2.gz QXPXHCMZXURCBX-AWEZNQCLSA-N -1 1 282.343 3.073 20 0 CGADMM CCS[C@H]1CCC[C@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000154961936 280059658 /nfs/dbraw/zinc/05/96/58/280059658.db2.gz YNJIXOXAYUXEKG-JQWIXIFHSA-N -1 1 297.395 3.325 20 0 CGADMM Cc1ccc2nc(-c3cc(C)c(O)c(C)c3)[n-]c(=O)c2c1 ZINC000436666754 281023602 /nfs/dbraw/zinc/02/36/02/281023602.db2.gz VXPOTMPLNKLVBR-UHFFFAOYSA-N -1 1 280.327 3.221 20 0 CGADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cc(C(C)(C)C)on1 ZINC000530173066 288292654 /nfs/dbraw/zinc/29/26/54/288292654.db2.gz BQKXXDQAMCAXGS-ZSBIGDGJSA-N -1 1 294.395 3.046 20 0 CGADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1csc(C2CC2)n1 ZINC000530175933 288293884 /nfs/dbraw/zinc/29/38/84/288293884.db2.gz RBINNIASIBGEOS-PEGIJTEDSA-N -1 1 294.420 3.094 20 0 CGADMM O=C(NC1(C2CC2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000553803700 289240046 /nfs/dbraw/zinc/24/00/46/289240046.db2.gz FIXCSQWADSPDJE-UHFFFAOYSA-N -1 1 285.265 3.083 20 0 CGADMM CC(C)c1scnc1NC(=O)c1ccc([O-])cc1F ZINC000582573711 329109758 /nfs/dbraw/zinc/10/97/58/329109758.db2.gz SKFRPJAOHAVDAR-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H]1C ZINC000153755014 321725896 /nfs/dbraw/zinc/72/58/96/321725896.db2.gz SEPXZFMNJPECHI-ZJUUUORDSA-N -1 1 267.756 3.164 20 0 CGADMM C[C@H](c1ccc(F)cc1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405361889 321971321 /nfs/dbraw/zinc/97/13/21/321971321.db2.gz PRHJOBAMMVBLNS-MFKMUULPSA-N -1 1 295.329 3.213 20 0 CGADMM Cc1cnc(SCCO[C@H]2CCCC[C@@H]2C)[n-]c1=O ZINC000567754243 322176337 /nfs/dbraw/zinc/17/63/37/322176337.db2.gz VPESOCXCRMOFPG-JQWIXIFHSA-N -1 1 282.409 3.178 20 0 CGADMM CC[C@H]1CN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CCS1 ZINC000568062861 322191299 /nfs/dbraw/zinc/19/12/99/322191299.db2.gz STKOVIZQOKPYJV-MNOVXSKESA-N -1 1 283.393 3.175 20 0 CGADMM CCc1ccc(CSc2nc(C)c(C)c(=O)[n-]2)nc1 ZINC000568536559 322213752 /nfs/dbraw/zinc/21/37/52/322213752.db2.gz QJEGMWLEWNVRBS-UHFFFAOYSA-N -1 1 275.377 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IEAINCBPUZFPJT-UHFFFAOYSA-N -1 1 287.384 3.125 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1occc1Br ZINC000089399954 523061018 /nfs/dbraw/zinc/06/10/18/523061018.db2.gz NJAAOFSCHNBVAU-UHFFFAOYSA-N -1 1 299.124 3.153 20 0 CGADMM O=S(=O)([N-]c1ccccc1)c1ccc2ncsc2c1 ZINC000359034547 534871757 /nfs/dbraw/zinc/87/17/57/534871757.db2.gz HZXIEBDEYZGXDZ-UHFFFAOYSA-N -1 1 290.369 3.097 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000087777614 526679160 /nfs/dbraw/zinc/67/91/60/526679160.db2.gz KPCCSMCKUHUBQI-ZWNOBZJWSA-N -1 1 279.767 3.450 20 0 CGADMM CC(C)C(C)(C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000440313920 527561468 /nfs/dbraw/zinc/56/14/68/527561468.db2.gz JAPQZYBGRCWZOL-UHFFFAOYSA-N -1 1 287.363 3.403 20 0 CGADMM CC(C)(C)C[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000426829300 527694154 /nfs/dbraw/zinc/69/41/54/527694154.db2.gz ORWLRKNMKKBYJU-CYBMUJFWSA-N -1 1 275.348 3.412 20 0 CGADMM CC1(C)Cc2cc(NC(=O)c3ccc(O)cc3[O-])ccc2O1 ZINC000436629417 527775516 /nfs/dbraw/zinc/77/55/16/527775516.db2.gz JESRGMFVSKRORI-UHFFFAOYSA-N -1 1 299.326 3.064 20 0 CGADMM CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436685341 528870876 /nfs/dbraw/zinc/87/08/76/528870876.db2.gz BHLWZXGODCTKPB-IUODEOHRSA-N -1 1 289.375 3.050 20 0 CGADMM CCC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436764783 528970236 /nfs/dbraw/zinc/97/02/36/528970236.db2.gz NIBZXJXMLOVEET-MRXNPFEDSA-N -1 1 297.354 3.233 20 0 CGADMM Cc1cccc2c1CCN([C@H](C)c1ccc(C(=O)[O-])o1)C2 ZINC000738747879 572390916 /nfs/dbraw/zinc/39/09/16/572390916.db2.gz LIUFJQKSBSLFDC-GFCCVEGCSA-N -1 1 285.343 3.406 20 0 CGADMM CN(CC1CCN(Cc2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000739666341 572422264 /nfs/dbraw/zinc/42/22/64/572422264.db2.gz QSHXRBQEJMFCDS-UHFFFAOYSA-N -1 1 296.798 3.162 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCC(C2CCCCC2)CC1 ZINC000732272912 572457283 /nfs/dbraw/zinc/45/72/83/572457283.db2.gz SGRXBHJCBNTALS-UHFFFAOYSA-N -1 1 288.391 3.220 20 0 CGADMM CCCCOc1cccc(C[N-]C(=O)C(F)(F)F)c1 ZINC000750670382 573160191 /nfs/dbraw/zinc/16/01/91/573160191.db2.gz PGFWAMTXVNFWCF-UHFFFAOYSA-N -1 1 275.270 3.044 20 0 CGADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cccnc1Cl ZINC000820149044 598192477 /nfs/dbraw/zinc/19/24/77/598192477.db2.gz UOPSIIVIYPTLDD-SNVBAGLBSA-N -1 1 290.750 3.284 20 0 CGADMM C[C@H](c1cc(F)ccc1F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405364933 600293619 /nfs/dbraw/zinc/29/36/19/600293619.db2.gz SWVHLQDODITIRQ-ZWNOBZJWSA-N -1 1 295.329 3.213 20 0 CGADMM C/C(=C/CN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1)C(=O)[O-] ZINC000825730307 601049754 /nfs/dbraw/zinc/04/97/54/601049754.db2.gz UKKJAQRJMFWNAX-FGWOKABOSA-N -1 1 289.375 3.398 20 0 CGADMM Cc1[n-]n(-c2cccc(C)c2Cl)c(=O)c1C1CC1 ZINC000899361745 620666409 /nfs/dbraw/zinc/66/64/09/620666409.db2.gz CGAYTGSUIFUKCG-LBPRGKRZSA-N -1 1 262.740 3.397 20 0 CGADMM O=c1c2c([n-]n1C1CCC(F)(F)CC1)CCCCC2 ZINC000899366625 620675956 /nfs/dbraw/zinc/67/59/56/620675956.db2.gz ORBRHKPGXPEWCQ-NSHDSACASA-N -1 1 270.323 3.343 20 0 CGADMM CN(C(=O)[O-])c1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000830519149 604646332 /nfs/dbraw/zinc/64/63/32/604646332.db2.gz MRUVQETZCMOQDZ-UHFFFAOYSA-N -1 1 296.330 3.289 20 0 CGADMM CC(C)Oc1cccc(CNCc2ccoc2C(=O)[O-])c1 ZINC000833507252 605079966 /nfs/dbraw/zinc/07/99/66/605079966.db2.gz DCYUJVYZSPVOHY-UHFFFAOYSA-N -1 1 289.331 3.055 20 0 CGADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])o1 ZINC000833604047 605704181 /nfs/dbraw/zinc/70/41/81/605704181.db2.gz CLQUTGFCDLAIMN-RKDXNWHRSA-N -1 1 291.269 3.141 20 0 CGADMM C[C@H](c1ccc(F)cc1F)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833833619 605893644 /nfs/dbraw/zinc/89/36/44/605893644.db2.gz YVESNSYIULPKJJ-GMTAPVOTSA-N -1 1 298.333 3.004 20 0 CGADMM CCc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)o1 ZINC000087616183 618084082 /nfs/dbraw/zinc/08/40/82/618084082.db2.gz FLZTYGSOWVGLJL-INIZCTEOSA-N -1 1 285.343 3.026 20 0 CGADMM CCCc1ccccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000892153285 618560115 /nfs/dbraw/zinc/56/01/15/618560115.db2.gz NRWVTYFBSUQVBC-UHFFFAOYSA-N -1 1 298.268 3.028 20 0 CGADMM Cc1cc(CN[C@@H](C)c2ccsc2)oc1C(=O)[O-] ZINC000235528243 618806985 /nfs/dbraw/zinc/80/69/85/618806985.db2.gz MGAFPHYYRREUIS-VIFPVBQESA-N -1 1 265.334 3.199 20 0 CGADMM O=C([N-]OCc1ccccc1)c1c(F)c(F)cc(F)c1F ZINC000177480010 618824697 /nfs/dbraw/zinc/82/46/97/618824697.db2.gz PVRIFCJRYIRVCY-UHFFFAOYSA-N -1 1 299.223 3.105 20 0 CGADMM CC1(C)CC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000312731558 619135183 /nfs/dbraw/zinc/13/51/83/619135183.db2.gz WDGURRTZXXEVGS-OAHLLOKOSA-N -1 1 269.344 3.464 20 0 CGADMM O=C(NN=C/C=C\c1ccco1)c1cc(Cl)ccc1[O-] ZINC000254758075 619221500 /nfs/dbraw/zinc/22/15/00/619221500.db2.gz BEHHKLKWABJNHY-MAPOGHOJSA-N -1 1 290.706 3.068 20 0 CGADMM C[C@@H]1CC[C@H](CNC(=O)c2c([O-])cccc2Cl)C1 ZINC000794257472 619741075 /nfs/dbraw/zinc/74/10/75/619741075.db2.gz ACDJSEIEVJCPNW-ZJUUUORDSA-N -1 1 267.756 3.212 20 0 CGADMM Cc1cnc2c(c1)N(C(=O)c1ccc(C(C)C)cc1[O-])CC2 ZINC000888143012 620308281 /nfs/dbraw/zinc/30/82/81/620308281.db2.gz CYZJOEAQNTUOLH-UHFFFAOYSA-N -1 1 296.370 3.422 20 0 CGADMM CCC[C@@H](Nc1ccnc2cc(F)c(OC)cc21)C(=O)[O-] ZINC000263555170 620326354 /nfs/dbraw/zinc/32/63/54/620326354.db2.gz NUTPFSWNYYGPDU-GFCCVEGCSA-N -1 1 292.310 3.048 20 0 CGADMM COc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1O ZINC000785419580 620375429 /nfs/dbraw/zinc/37/54/29/620375429.db2.gz LXQHJUHYKHKDNQ-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM Cc1ccc(SCc2cc(=O)oc3cc([O-])ccc23)nc1 ZINC000192452124 620384084 /nfs/dbraw/zinc/38/40/84/620384084.db2.gz CYRZASRNZJDMKX-UHFFFAOYSA-N -1 1 299.351 3.494 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCCC12CCC2 ZINC000897581490 620403608 /nfs/dbraw/zinc/40/36/08/620403608.db2.gz RPLHZXVNFBNHLQ-UHFFFAOYSA-N -1 1 297.354 3.410 20 0 CGADMM CCc1ccc(CN2CC3(CCC3)[C@](F)(C(=O)[O-])C2)s1 ZINC000901911748 621067962 /nfs/dbraw/zinc/06/79/62/621067962.db2.gz MZIODIMXCLQLKA-OAHLLOKOSA-N -1 1 297.395 3.089 20 0 CGADMM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000902019763 621105200 /nfs/dbraw/zinc/10/52/00/621105200.db2.gz SKZRVYUWKYQMQK-YUTCNCBUSA-N -1 1 279.380 3.334 20 0 CGADMM CCc1ccc(CNCc2ccc(/C=C\C(=O)[O-])o2)s1 ZINC000902132818 621167498 /nfs/dbraw/zinc/16/74/98/621167498.db2.gz RLTIMPZLXHYBQR-YVMONPNESA-N -1 1 291.372 3.291 20 0 CGADMM Cc1ccc2c(c1)CC[C@H]2NCc1cc(C(=O)[O-])co1 ZINC000902172788 621185253 /nfs/dbraw/zinc/18/52/53/621185253.db2.gz DUBPJVRYPYHGAW-OAHLLOKOSA-N -1 1 271.316 3.063 20 0 CGADMM Cc1oc(CN[C@H]2CCc3ccc(F)cc32)cc1C(=O)[O-] ZINC000902236669 621205982 /nfs/dbraw/zinc/20/59/82/621205982.db2.gz UVMVDLFXEQKSAP-HNNXBMFYSA-N -1 1 289.306 3.202 20 0 CGADMM CC(C)(NCc1ccc(/C=C\C(=O)[O-])o1)c1cccs1 ZINC000902257695 621211374 /nfs/dbraw/zinc/21/13/74/621211374.db2.gz BRFGJBBIPJEBBR-FPLPWBNLSA-N -1 1 291.372 3.464 20 0 CGADMM Cc1ccccc1C1(NCc2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC000902273023 621237376 /nfs/dbraw/zinc/23/73/76/621237376.db2.gz ZXVFFBUVHAZNPG-CMDGGOBGSA-N -1 1 297.354 3.465 20 0 CGADMM CC[C@@H](CC(F)(F)F)NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902336258 621270967 /nfs/dbraw/zinc/27/09/67/621270967.db2.gz KWVKHISZADDBLW-UDIARPCQSA-N -1 1 291.269 3.198 20 0 CGADMM CC[C@@H](NCc1cc(C(=O)[O-])no1)c1cc(C)ccc1C ZINC000902382741 621298582 /nfs/dbraw/zinc/29/85/82/621298582.db2.gz UTHLLWRNMPCABP-CQSZACIVSA-N -1 1 288.347 3.231 20 0 CGADMM O=C([O-])c1ccc(CN[C@@H]2CCCc3ccc(F)cc32)o1 ZINC000902446220 621314363 /nfs/dbraw/zinc/31/43/63/621314363.db2.gz STHRBYDZVKZRLI-CQSZACIVSA-N -1 1 289.306 3.284 20 0 CGADMM O=C([O-])c1coc(CN[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000902442856 621322006 /nfs/dbraw/zinc/32/20/06/621322006.db2.gz FMWAYGZTBQKNBG-OAHLLOKOSA-N -1 1 289.306 3.284 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CC(Cc2ccsc2)C1 ZINC000902463852 621337490 /nfs/dbraw/zinc/33/74/90/621337490.db2.gz VAIOVORYAYKYBN-UHFFFAOYSA-N -1 1 291.372 3.022 20 0 CGADMM C[C@H]1CCCN1Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000902529513 621363835 /nfs/dbraw/zinc/36/38/35/621363835.db2.gz JSQLXZCLDCRGAU-VIFPVBQESA-N -1 1 298.180 3.132 20 0 CGADMM C[C@H]1CCCCN1Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903886072 621826844 /nfs/dbraw/zinc/82/68/44/621826844.db2.gz VVGVIPRZKBOEON-QMMMGPOBSA-N -1 1 291.269 3.371 20 0 CGADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1coc(C(C)(C)C)n1 ZINC000903911656 621832839 /nfs/dbraw/zinc/83/28/39/621832839.db2.gz LJVNSQLJSMHQGZ-GHMZBOCLSA-N -1 1 294.395 3.046 20 0 CGADMM CCCCCCN(Cc1ccco1)[C@@H](C)C(=O)[O-] ZINC000903961103 621837831 /nfs/dbraw/zinc/83/78/31/621837831.db2.gz LGBNQXPWXLQJHE-LBPRGKRZSA-N -1 1 253.342 3.135 20 0 CGADMM O=C([O-])c1csc(CN[C@H]2CCCc3cccnc32)c1 ZINC000905747439 622099307 /nfs/dbraw/zinc/09/93/07/622099307.db2.gz AERIRUABBGNSRB-ZDUSSCGKSA-N -1 1 288.372 3.009 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cc(C(F)(F)F)ccc2F)S1 ZINC000149340863 622290021 /nfs/dbraw/zinc/29/00/21/622290021.db2.gz QGFKWGOVAPJFTK-XBXARRHUSA-N -1 1 291.225 3.168 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000909988535 622446916 /nfs/dbraw/zinc/44/69/16/622446916.db2.gz ORUIPVLFGHSILP-DJLDLDEBSA-N -1 1 267.275 3.045 20 0 CGADMM CC(C)CCO[C@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984145 622513128 /nfs/dbraw/zinc/51/31/28/622513128.db2.gz MMKJSWDYBYBMBC-SECBINFHSA-N -1 1 287.306 3.060 20 0 CGADMM CS[C@H](C)CCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910983412 622513225 /nfs/dbraw/zinc/51/32/25/622513225.db2.gz QMHFHOCBECRUBM-SSDOTTSWSA-N -1 1 275.320 3.141 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@]12C[C@H]1CCCC2 ZINC000910989942 622513860 /nfs/dbraw/zinc/51/38/60/622513860.db2.gz FKEHGUJTVQWKBX-XLKFXECMSA-N -1 1 267.275 3.189 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)S2 ZINC000910990741 622513893 /nfs/dbraw/zinc/51/38/93/622513893.db2.gz JXXUFKNYCCMHIP-RSMPGPOFSA-N -1 1 299.342 3.283 20 0 CGADMM CC(C)(C(=O)Nc1cc(F)cc(F)c1[O-])[C@@H]1CCCCO1 ZINC000910990122 622514168 /nfs/dbraw/zinc/51/41/68/622514168.db2.gz HTXVZSAAXAPPRW-LBPRGKRZSA-N -1 1 299.317 3.204 20 0 CGADMM CC[C@H]1CCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769978150 625582035 /nfs/dbraw/zinc/58/20/35/625582035.db2.gz SUSAIZWQAHSPAF-GXSJLCMTSA-N -1 1 267.756 3.354 20 0 CGADMM CC1(c2nc(-c3ccc([O-])c(F)c3)no2)CC=CC1 ZINC000924004890 623891574 /nfs/dbraw/zinc/89/15/74/623891574.db2.gz BXHMPBVPRWCRPS-UHFFFAOYSA-N -1 1 260.268 3.189 20 0 CGADMM CCc1nc(SCCOC2CCCCC2)[n-]c(=O)c1C ZINC000917843306 624315255 /nfs/dbraw/zinc/31/52/55/624315255.db2.gz NUSBBOKZEZVYEI-UHFFFAOYSA-N -1 1 296.436 3.494 20 0 CGADMM CCCCN(CC)C(=O)c1c([O-])cccc1Cl ZINC000920432987 624502705 /nfs/dbraw/zinc/50/27/05/624502705.db2.gz HBGFCNNBRHUJLX-UHFFFAOYSA-N -1 1 255.745 3.308 20 0 CGADMM O=S(=O)(/C=C/c1ccccc1)[N-]c1ccc(Cl)cn1 ZINC000068300360 624702360 /nfs/dbraw/zinc/70/23/60/624702360.db2.gz AKCGUVSIDFKNBJ-CMDGGOBGSA-N -1 1 294.763 3.148 20 0 CGADMM CON(Cc1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000180833301 624777503 /nfs/dbraw/zinc/77/75/03/624777503.db2.gz MEWLPQHIGDMVBL-UHFFFAOYSA-N -1 1 291.734 3.249 20 0 CGADMM CC[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccc(OC)cc1 ZINC000071381098 625084441 /nfs/dbraw/zinc/08/44/41/625084441.db2.gz LIHLSWKJNMMBOJ-CQSZACIVSA-N -1 1 289.331 3.227 20 0 CGADMM O=C(NNc1c(F)cccc1Cl)c1cc(F)ccc1[O-] ZINC000184242321 625214504 /nfs/dbraw/zinc/21/45/04/625214504.db2.gz FZCCBAYWXXOGNX-UHFFFAOYSA-N -1 1 298.676 3.081 20 0 CGADMM Cc1cccc(F)c1NNC(=O)c1cc(Cl)ccc1[O-] ZINC000184325983 625223436 /nfs/dbraw/zinc/22/34/36/625223436.db2.gz OFCAXKUIWJFLRP-UHFFFAOYSA-N -1 1 294.713 3.250 20 0 CGADMM CC(C)c1ccc(C(=O)N2C[C@@H](C)Cn3nccc32)c([O-])c1 ZINC000922204819 625983556 /nfs/dbraw/zinc/98/35/56/625983556.db2.gz GBLIBINTLIAAIM-GFCCVEGCSA-N -1 1 299.374 3.009 20 0 CGADMM CCCOc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000756286025 626689150 /nfs/dbraw/zinc/68/91/50/626689150.db2.gz TYVXIAQQSSGIBG-UHFFFAOYSA-N -1 1 289.331 3.056 20 0 CGADMM Cc1sc(Cl)nc1C(=O)Nc1c([O-])cccc1F ZINC000762871347 627129890 /nfs/dbraw/zinc/12/98/90/627129890.db2.gz OUNIZHFKEDBOOE-UHFFFAOYSA-N -1 1 286.715 3.202 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)C1CCCC1 ZINC000764265727 627202011 /nfs/dbraw/zinc/20/20/11/627202011.db2.gz VYSYVFLBSTVVGU-VIFPVBQESA-N -1 1 267.756 3.354 20 0 CGADMM O=C(NC1CCC2(CC2)CC1)c1c([O-])cccc1Cl ZINC000765640839 627264678 /nfs/dbraw/zinc/26/46/78/627264678.db2.gz IIEMIFURBIZAJZ-UHFFFAOYSA-N -1 1 279.767 3.498 20 0 CGADMM C[C@@H](CC(=O)[N-]OCC(F)(F)F)CC(C)(C)C ZINC000766772093 627360130 /nfs/dbraw/zinc/36/01/30/627360130.db2.gz VSWJQYMRCZSMQV-QMMMGPOBSA-N -1 1 255.280 3.059 20 0 CGADMM C[C@H]1SCCN(C(=O)c2c([O-])cccc2Cl)[C@H]1C ZINC000769880443 627586882 /nfs/dbraw/zinc/58/68/82/627586882.db2.gz DZOJEKQBEHALGD-DTWKUNHWSA-N -1 1 285.796 3.012 20 0 CGADMM C[C@@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)C1CC1 ZINC000771221081 627691468 /nfs/dbraw/zinc/69/14/68/627691468.db2.gz BKLXHIORLQBHBC-QMMMGPOBSA-N -1 1 262.284 3.170 20 0 CGADMM O=C(OCc1ccc(F)cc1)c1ccc([O-])cc1F ZINC000773564540 627897141 /nfs/dbraw/zinc/89/71/41/627897141.db2.gz GABMJDORVNNFLW-UHFFFAOYSA-N -1 1 264.227 3.027 20 0 CGADMM C/C=C(/C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000778447678 628351192 /nfs/dbraw/zinc/35/11/92/628351192.db2.gz CFYYEODCFJIAME-YWEYNIOJSA-N -1 1 284.153 3.368 20 0 CGADMM CC1(C)C[C@@H](NC(=O)c2c([O-])cccc2Cl)C(C)(C)O1 ZINC000778462088 628351827 /nfs/dbraw/zinc/35/18/27/628351827.db2.gz VVJULCAWWHDETL-LLVKDONJSA-N -1 1 297.782 3.122 20 0 CGADMM Cc1cnc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)c1 ZINC000779887929 628440299 /nfs/dbraw/zinc/44/02/99/628440299.db2.gz CDEXIBPZKSSAJO-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM O=C([N-]C1(c2cccc(C(F)(F)F)c2)CC1)C(F)F ZINC000787301513 629008046 /nfs/dbraw/zinc/00/80/46/629008046.db2.gz HODSDUPEJBLZJV-UHFFFAOYSA-N -1 1 279.208 3.076 20 0 CGADMM CC/C(C)=C(\C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000790042770 629179184 /nfs/dbraw/zinc/17/91/84/629179184.db2.gz LMHBYCBMMQQLAL-BQYQJAHWSA-N -1 1 299.168 3.235 20 0 CGADMM CC(C)C(C)(C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047291 629179889 /nfs/dbraw/zinc/17/98/89/629179889.db2.gz BWSMTWOAWHARJQ-UHFFFAOYSA-N -1 1 256.733 3.061 20 0 CGADMM CC1(C)CC[C@H](C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000790057491 629181027 /nfs/dbraw/zinc/18/10/27/629181027.db2.gz XUPVNOLXERERFY-QMMMGPOBSA-N -1 1 268.744 3.205 20 0 CGADMM CC[C@@H](OC(=O)c1ccc(C(=O)OC)[n-]1)c1ccccc1 ZINC000796343275 629769220 /nfs/dbraw/zinc/76/92/20/629769220.db2.gz BCVCYVJVBJJALC-CQSZACIVSA-N -1 1 287.315 3.109 20 0 CGADMM Cc1ccc(N(C)C(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000798288027 630043802 /nfs/dbraw/zinc/04/38/02/630043802.db2.gz UQZOXJXFZWHLIA-UHFFFAOYSA-N -1 1 277.270 3.255 20 0 CGADMM Cc1nc(SCOC2CCCC2)[n-]c(=O)c1C1CC1 ZINC000865373442 630082657 /nfs/dbraw/zinc/08/26/57/630082657.db2.gz UYSFUQQWROLIIK-UHFFFAOYSA-N -1 1 280.393 3.377 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2nc(Cl)ccc2[O-])nc1 ZINC000811397207 631062165 /nfs/dbraw/zinc/06/21/65/631062165.db2.gz XTBDKUGZLRGQMC-UHFFFAOYSA-N -1 1 291.738 3.211 20 0 CGADMM C[C@H]1CC/C(=C\C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000837086819 634851879 /nfs/dbraw/zinc/85/18/79/634851879.db2.gz TYFFYSBKMPBHNP-INTFFVIUSA-N -1 1 267.275 3.355 20 0 CGADMM CC(C(=O)Nc1ccc([O-])c(F)c1F)=C1CCCC1 ZINC000837086476 634851958 /nfs/dbraw/zinc/85/19/58/634851958.db2.gz NUCAKOCSEBBGJO-UHFFFAOYSA-N -1 1 267.275 3.499 20 0 CGADMM CC[C@@H](C)[C@H](C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000819967216 632551688 /nfs/dbraw/zinc/55/16/88/632551688.db2.gz CRLXHDCOXPIFMI-ZJUUUORDSA-N -1 1 276.336 3.073 20 0 CGADMM C[C@]1(C2CCCCC2)CCN1c1cc(Cl)[n-]c(=O)n1 ZINC000866298136 633069672 /nfs/dbraw/zinc/06/96/72/633069672.db2.gz TXPWWKCHWWOTQE-CQSZACIVSA-N -1 1 281.787 3.385 20 0 CGADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000827447839 633491815 /nfs/dbraw/zinc/49/18/15/633491815.db2.gz MFCFAVDWQVNSQE-DBIOUOCHSA-N -1 1 263.312 3.152 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)OCC[C@@H]1CCCCO1 ZINC000869734606 633502117 /nfs/dbraw/zinc/50/21/17/633502117.db2.gz ICHPEOSJXOOWSS-LBPRGKRZSA-N -1 1 298.766 3.091 20 0 CGADMM Cc1sccc1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000870689659 633626641 /nfs/dbraw/zinc/62/66/41/633626641.db2.gz UKYVHTCZQUITAY-UHFFFAOYSA-N -1 1 291.376 3.236 20 0 CGADMM O=c1c2c([n-]n1C[C@H]1CCCC1(F)F)CCCCC2 ZINC000871962464 633929587 /nfs/dbraw/zinc/92/95/87/633929587.db2.gz CEDGEMJOXILGNR-MNOVXSKESA-N -1 1 270.323 3.200 20 0 CGADMM CCCc1c(C)[n-]n([C@H]2CCOC3(CCCC3)C2)c1=O ZINC000871963305 633930982 /nfs/dbraw/zinc/93/09/82/633930982.db2.gz GDJYXDAKMFKDSX-KBPBESRZSA-N -1 1 278.396 3.113 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000873054086 634237824 /nfs/dbraw/zinc/23/78/24/634237824.db2.gz RLDYRWXMAGZHSO-SDDRHHMPSA-N -1 1 294.782 3.033 20 0 CGADMM O=C(/C=C/C1CCCC1)NCc1ccc([O-])c(Cl)c1 ZINC000834821552 634247208 /nfs/dbraw/zinc/24/72/08/634247208.db2.gz BBJGFHLWHPBPSA-SOFGYWHQSA-N -1 1 279.767 3.408 20 0 CGADMM O=C(CCCC1CC1)NCc1ccc([O-])c(Cl)c1 ZINC000834823140 634247796 /nfs/dbraw/zinc/24/77/96/634247796.db2.gz UHIVHCUKTLYXOH-UHFFFAOYSA-N -1 1 267.756 3.242 20 0 CGADMM CC(C)=C(C)CC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834823165 634248220 /nfs/dbraw/zinc/24/82/20/634248220.db2.gz UWHGEUAPRGIQQJ-UHFFFAOYSA-N -1 1 267.756 3.408 20 0 CGADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCc1ccc([O-])c(Cl)c1 ZINC000834821525 634248229 /nfs/dbraw/zinc/24/82/29/634248229.db2.gz AHVRSCGDJVGEGF-WOPDTQHZSA-N -1 1 279.767 3.098 20 0 CGADMM CCC1(C(=O)NCc2ccc([O-])c(Cl)c2)CCC1 ZINC000834828970 634250499 /nfs/dbraw/zinc/25/04/99/634250499.db2.gz GAEVUEWMFKVVGV-UHFFFAOYSA-N -1 1 267.756 3.242 20 0 CGADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)C1CCCCC1 ZINC000837612938 634950122 /nfs/dbraw/zinc/95/01/22/634950122.db2.gz QOSNUFFAZDSVJD-SNVBAGLBSA-N -1 1 294.322 3.226 20 0 CGADMM C[C@@H](CNC(=O)c1c([O-])cccc1Cl)CC(F)F ZINC000843959634 635800709 /nfs/dbraw/zinc/80/07/09/635800709.db2.gz JJMDQGAETSQQIO-SSDOTTSWSA-N -1 1 277.698 3.067 20 0 CGADMM CC1(C)C[C@@H](NC(=O)c2c([O-])cccc2Cl)CCS1 ZINC000888802860 635937838 /nfs/dbraw/zinc/93/78/38/635937838.db2.gz LPSBSKMTWNSKFI-VIFPVBQESA-N -1 1 299.823 3.450 20 0 CGADMM CC(C)C[C@H](C(=O)[O-])N(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000846233645 636164099 /nfs/dbraw/zinc/16/40/99/636164099.db2.gz SKZRVYUWKYQMQK-KWCYVHTRSA-N -1 1 279.380 3.334 20 0 CGADMM CCc1nc(SCCCOC(F)(F)F)[n-]c(=O)c1C ZINC000882176815 636279085 /nfs/dbraw/zinc/27/90/85/636279085.db2.gz AFNOOUCALOWMRS-UHFFFAOYSA-N -1 1 296.314 3.072 20 0 CGADMM CCC(F)(F)COC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000884603720 637093906 /nfs/dbraw/zinc/09/39/06/637093906.db2.gz PPDZJVUGBIPOHK-UHFFFAOYSA-N -1 1 278.682 3.177 20 0 CGADMM CC(C)(CC(=O)NCCc1c(F)cc([O-])cc1F)C1CC1 ZINC000886268042 637473325 /nfs/dbraw/zinc/47/33/25/637473325.db2.gz AQMIQIKPVZDENM-UHFFFAOYSA-N -1 1 297.345 3.155 20 0 CGADMM CC1(C)C[C@H](n2[n-]c3c(c2=O)CCCCC3)C(C)(C)O1 ZINC000887296382 637792278 /nfs/dbraw/zinc/79/22/78/637792278.db2.gz AOCWWCQTTFTBCV-YPMHNXCESA-N -1 1 278.396 3.111 20 0 CGADMM C[C@]12CN(C(=O)c3ccc([O-])c(F)c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000887883573 637918348 /nfs/dbraw/zinc/91/83/48/637918348.db2.gz SNTORVWJBBQPEF-YRZLHWLASA-N -1 1 289.350 3.040 20 0 CGADMM C[C@H]1C[C@@H](C(=O)Nc2cc(F)c([O-])cc2Cl)CCC1=O ZINC000885675834 638036000 /nfs/dbraw/zinc/03/60/00/638036000.db2.gz CCFCKMRVZXTJJK-YUMQZZPRSA-N -1 1 299.729 3.129 20 0 CGADMM O=C(CCC1CC1)Nc1cc(F)c([O-])cc1Cl ZINC000885675838 638036394 /nfs/dbraw/zinc/03/63/94/638036394.db2.gz CDWHGUUPLZMYOQ-UHFFFAOYSA-N -1 1 257.692 3.313 20 0 CGADMM O=C(/C=C/C1CC1)Nc1cc(F)c([O-])cc1Cl ZINC000885676739 638038541 /nfs/dbraw/zinc/03/85/41/638038541.db2.gz TZMBUCJOPRXNHT-ONEGZZNKSA-N -1 1 255.676 3.089 20 0 CGADMM CCC[C@H](C(=O)[N-]OCC1CCC1)c1ccccc1 ZINC000856343113 638344315 /nfs/dbraw/zinc/34/43/15/638344315.db2.gz VJMXFWZZVQPDLW-HNNXBMFYSA-N -1 1 261.365 3.418 20 0 CGADMM CC(C)Cc1cccc([C@@H](C)C(=O)[N-]OC(C)C)c1 ZINC000857523177 638512672 /nfs/dbraw/zinc/51/26/72/638512672.db2.gz ZZHNDOYSCIQUGV-CYBMUJFWSA-N -1 1 263.381 3.445 20 0 CGADMM C[C@@H]1CCC[C@H](Nc2cc(Cl)[n-]c(=O)n2)[C@H]1C ZINC000858312278 638678104 /nfs/dbraw/zinc/67/81/04/638678104.db2.gz SKOATLVOWBVNQK-VGMNWLOBSA-N -1 1 255.749 3.072 20 0 CGADMM O=c1nc(N2CCC3(CCCCC3)CC2)cc(Cl)[n-]1 ZINC000858385672 638699702 /nfs/dbraw/zinc/69/97/02/638699702.db2.gz XUOFLBJXCCNJSK-UHFFFAOYSA-N -1 1 281.787 3.386 20 0 CGADMM CCC1(CNc2cc(Cl)[n-]c(=O)n2)CCCC1 ZINC000858445218 638721673 /nfs/dbraw/zinc/72/16/73/638721673.db2.gz CPWMLUBISVBOLT-UHFFFAOYSA-N -1 1 255.749 3.218 20 0 CGADMM CCC[C@H](C)[C@@H]1CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858450417 638722487 /nfs/dbraw/zinc/72/24/87/638722487.db2.gz HENORBDIUNYILU-UWVGGRQHSA-N -1 1 269.776 3.241 20 0 CGADMM O=c1cc(CN2Cc3ccccc3C2)c2ccc([O-])cc2o1 ZINC000155495764 639937346 /nfs/dbraw/zinc/93/73/46/639937346.db2.gz NUCMVYBCYCLSDK-UHFFFAOYSA-N -1 1 293.322 3.014 20 0 CGADMM O=C([N-]OCc1ccccc1)C1(Cc2ccccc2F)CC1 ZINC000189912330 640212587 /nfs/dbraw/zinc/21/25/87/640212587.db2.gz JPEDBSUDQFQZGL-UHFFFAOYSA-N -1 1 299.345 3.396 20 0 CGADMM [O-]c1c(Br)cccc1CNc1ccncc1F ZINC000192150529 640352461 /nfs/dbraw/zinc/35/24/61/640352461.db2.gz DICWOJFXXTYZPM-UHFFFAOYSA-N -1 1 297.127 3.301 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2c(c1)COC2 ZINC000082193126 640564895 /nfs/dbraw/zinc/56/48/95/640564895.db2.gz LPTGFMCFQLLRNC-UHFFFAOYSA-N -1 1 289.718 3.328 20 0 CGADMM Cc1ccc2ccc(C(=O)N3C[C@H](C)CC34CC4)c([O-])c2n1 ZINC001155658935 805601511 /nfs/dbraw/zinc/60/15/11/805601511.db2.gz WILVVTUJQDPLHO-LLVKDONJSA-N -1 1 296.370 3.263 20 0 CGADMM CCc1cc(-c2nc3c([n-]2)c(F)c(F)c(F)c3F)on1 ZINC001250445542 805622875 /nfs/dbraw/zinc/62/28/75/805622875.db2.gz KEJZCGSNJGQXIS-UHFFFAOYSA-N -1 1 285.200 3.337 20 0 CGADMM Cc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC001250497701 805654170 /nfs/dbraw/zinc/65/41/70/805654170.db2.gz KQPCRKRLHDYRIV-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM CC(=O)c1ccc2[nH]c(-c3c([O-])cccc3F)nc2c1 ZINC001250674054 805753249 /nfs/dbraw/zinc/75/32/49/805753249.db2.gz JEXACSUXOZNTTJ-UHFFFAOYSA-N -1 1 270.263 3.277 20 0 CGADMM Cc1[nH]c(-c2nc3c(cc(F)cc3C)[nH]2)c(C)c1C(=O)[O-] ZINC001250876287 805790916 /nfs/dbraw/zinc/79/09/16/805790916.db2.gz DTFQMLWSNPANFX-UHFFFAOYSA-N -1 1 287.294 3.321 20 0 CGADMM COc1ccc2nc(-c3c([O-])cc(F)cc3F)[nH]c2c1 ZINC001250885869 805792289 /nfs/dbraw/zinc/79/22/89/805792289.db2.gz NSZRMIXGSCITIM-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM [O-]c1ccc(-c2nc3c(ccc(F)c3F)[nH]2)c(F)c1F ZINC001250912844 805797256 /nfs/dbraw/zinc/79/72/56/805797256.db2.gz OPPTUJGMRDTQPI-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM [O-]c1ccc(F)c(F)c1-c1nc2cc(F)c(F)cc2[nH]1 ZINC001251319266 805881182 /nfs/dbraw/zinc/88/11/82/805881182.db2.gz XGGHMFSPAIKJLO-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM COc1ccc2nc(-c3ccc(C(=O)[O-])cc3C)[nH]c2c1 ZINC001251710448 805922211 /nfs/dbraw/zinc/92/22/11/805922211.db2.gz CIGVRAMNKCJLCI-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM Cc1occc1C(=O)Nc1cccc([O-])c1Br ZINC001158825343 806009906 /nfs/dbraw/zinc/00/99/06/806009906.db2.gz MRZOHPFMVKVUON-UHFFFAOYSA-N -1 1 296.120 3.308 20 0 CGADMM Nc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001159465667 806107703 /nfs/dbraw/zinc/10/77/03/806107703.db2.gz ZCDZTTSJHFLWQF-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM O=C([O-])c1cc(F)c(Nc2cccc3[nH]ncc32)c(F)c1 ZINC001159575311 806123587 /nfs/dbraw/zinc/12/35/87/806123587.db2.gz WERSWCVRBXHPKU-UHFFFAOYSA-N -1 1 289.241 3.283 20 0 CGADMM Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc2c[nH]nc2c1 ZINC001159662918 806143938 /nfs/dbraw/zinc/14/39/38/806143938.db2.gz LLWLYZZMVZEEGF-UHFFFAOYSA-N -1 1 285.278 3.452 20 0 CGADMM CCCS(=O)(=O)[N-]c1ccc2ccc(Cl)cc2n1 ZINC001253608792 806272118 /nfs/dbraw/zinc/27/21/18/806272118.db2.gz MKWRWNWBASAHHJ-UHFFFAOYSA-N -1 1 284.768 3.040 20 0 CGADMM COc1cccc([O-])c1-c1nnc(-c2cccc(C)c2)o1 ZINC001253620948 806273148 /nfs/dbraw/zinc/27/31/48/806273148.db2.gz MVEAUTVGZIBZIB-UHFFFAOYSA-N -1 1 282.299 3.426 20 0 CGADMM CCCCS(=O)(=O)[N-]c1ccc2ccc(Cl)cc2n1 ZINC001253776423 806308108 /nfs/dbraw/zinc/30/81/08/806308108.db2.gz QOCSRXBQEFNVQR-UHFFFAOYSA-N -1 1 298.795 3.430 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc2c(o1)CCCC2 ZINC001161045450 806341851 /nfs/dbraw/zinc/34/18/51/806341851.db2.gz DLJNDZPOZKMREP-UHFFFAOYSA-N -1 1 275.279 3.255 20 0 CGADMM C[C@H](CC(C)(C)C)NC(=O)c1ncc2ccccc2c1[O-] ZINC001161120691 806350940 /nfs/dbraw/zinc/35/09/40/806350940.db2.gz AYUGGSQVZDUERV-LLVKDONJSA-N -1 1 286.375 3.495 20 0 CGADMM [O-]c1cccnc1-c1nnc(Cc2ccc(Cl)cc2)o1 ZINC001254223547 806371890 /nfs/dbraw/zinc/37/18/90/806371890.db2.gz XHFJCCFKTAHPQD-UHFFFAOYSA-N -1 1 287.706 3.081 20 0 CGADMM CC1(C)CCC[C@@H](CNC(=O)c2ccc([O-])cc2F)C1 ZINC001161932028 806485514 /nfs/dbraw/zinc/48/55/14/806485514.db2.gz FJJTXJLEGIPTTE-LLVKDONJSA-N -1 1 279.355 3.478 20 0 CGADMM CCOc1ccc(NC(=O)c2cc(F)ccc2[O-])c(F)c1 ZINC001162211792 806528334 /nfs/dbraw/zinc/52/83/34/806528334.db2.gz GWDALSKYLYMESH-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1onc2ccccc21 ZINC001162296185 806550764 /nfs/dbraw/zinc/55/07/64/806550764.db2.gz UCZRLLOCQFRPPH-UHFFFAOYSA-N -1 1 290.225 3.064 20 0 CGADMM COc1ccccc1CN(C)Cc1ccccc1C(=O)[O-] ZINC000048894561 798892992 /nfs/dbraw/zinc/89/29/92/798892992.db2.gz GDBBGJCPZWXRAI-UHFFFAOYSA-N -1 1 285.343 3.025 20 0 CGADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(Cl)cc1F ZINC000235360306 799144304 /nfs/dbraw/zinc/14/43/04/799144304.db2.gz GYOFZZCBPZLVCQ-NXEZZACHSA-N -1 1 285.746 3.164 20 0 CGADMM CCn1ccc(NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000314487200 799233390 /nfs/dbraw/zinc/23/33/90/799233390.db2.gz CAGGCMZOQOKWBP-UHFFFAOYSA-N -1 1 281.315 3.014 20 0 CGADMM CCC[C@@H](NC(=O)c1c([O-])cccc1F)C1CCC1 ZINC000325197013 799248489 /nfs/dbraw/zinc/24/84/89/799248489.db2.gz GPXUSPDTMYIEDK-GFCCVEGCSA-N -1 1 265.328 3.230 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(F)CC1 ZINC000689847664 799769809 /nfs/dbraw/zinc/76/98/09/799769809.db2.gz LJBWEPZSMFEGOF-UHFFFAOYSA-N -1 1 273.307 3.120 20 0 CGADMM Cc1oc(CNCc2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000693183696 799808571 /nfs/dbraw/zinc/80/85/71/799808571.db2.gz GOEGULNWGIXOSU-UHFFFAOYSA-N -1 1 273.332 3.193 20 0 CGADMM CC(C)c1cnc(CN2CCCC[C@@H]2CCC(=O)[O-])o1 ZINC000700771476 799879896 /nfs/dbraw/zinc/87/98/96/799879896.db2.gz DPSFPIFIJCXJIT-GFCCVEGCSA-N -1 1 280.368 3.017 20 0 CGADMM O=C([O-])[C@H]1CCCCN1Cc1ccsc1C(F)(F)F ZINC000704327014 799935799 /nfs/dbraw/zinc/93/57/99/799935799.db2.gz OPEFQSKCLRWSES-SECBINFHSA-N -1 1 293.310 3.206 20 0 CGADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000717217948 800197482 /nfs/dbraw/zinc/19/74/82/800197482.db2.gz FBWRUJSUYKOYMV-APHKKCJPSA-N -1 1 265.740 3.276 20 0 CGADMM COc1cc(F)cc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC001117592428 802470896 /nfs/dbraw/zinc/47/08/96/802470896.db2.gz RNIXYZLMVCMEQB-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)C(F)F ZINC001288270699 809357150 /nfs/dbraw/zinc/35/71/50/809357150.db2.gz HGCPVGYIJCACSZ-ZCFIWIBFSA-N -1 1 283.652 3.202 20 0 CGADMM O=C([N-]c1cc(F)ccc1F)c1ocnc1C(F)F ZINC001124358370 803016577 /nfs/dbraw/zinc/01/65/77/803016577.db2.gz XWIXAOWZDRDOLU-UHFFFAOYSA-N -1 1 274.173 3.143 20 0 CGADMM O=C([N-]c1c(F)cc(F)cc1F)c1ncoc1C1CC1 ZINC001126616933 803104444 /nfs/dbraw/zinc/10/44/44/803104444.db2.gz ZFPSBJKEQVZNAN-UHFFFAOYSA-N -1 1 282.221 3.222 20 0 CGADMM CC(C)Cn1ccc(-c2cc(F)c([O-])c(F)c2)cc1=O ZINC001244096631 803183647 /nfs/dbraw/zinc/18/36/47/803183647.db2.gz OPFNAUMHUJTXJP-UHFFFAOYSA-N -1 1 279.286 3.155 20 0 CGADMM Cc1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1O ZINC001210195746 814332631 /nfs/dbraw/zinc/33/26/31/814332631.db2.gz LLJRQMHRAGARAT-UHFFFAOYSA-N -1 1 281.315 3.336 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1ncnn2cccc12 ZINC001244465034 803382816 /nfs/dbraw/zinc/38/28/16/803382816.db2.gz XJEGRUQBQRVRSN-UHFFFAOYSA-N -1 1 295.220 3.001 20 0 CGADMM CCOc1cncc(-c2cc(C)c([O-])c(Cl)c2)n1 ZINC001244529900 803421713 /nfs/dbraw/zinc/42/17/13/803421713.db2.gz GIGCXFAMQCDUSE-UHFFFAOYSA-N -1 1 264.712 3.210 20 0 CGADMM COc1cc(OC)nc(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244531951 803422549 /nfs/dbraw/zinc/42/25/49/803422549.db2.gz QSOJPMTVNJBGPC-UHFFFAOYSA-N -1 1 279.723 3.433 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccc3c(n2)COC3)c1F ZINC001244537588 803424769 /nfs/dbraw/zinc/42/47/69/803424769.db2.gz BKWKKRRZBMWIAO-UHFFFAOYSA-N -1 1 265.671 3.277 20 0 CGADMM Cc1cc(-c2nnc3ccccc3n2)cc(Cl)c1[O-] ZINC001244537845 803424791 /nfs/dbraw/zinc/42/47/91/803424791.db2.gz GUENRCUMWJELCI-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM Cc1ncc(-c2c(Cl)ccc([O-])c2F)nc1C ZINC001244538969 803427123 /nfs/dbraw/zinc/42/71/23/803427123.db2.gz SSDUEKKVBWEPGI-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM CCc1nnc2ccc(-c3c(Cl)ccc([O-])c3F)cn21 ZINC001244540537 803427710 /nfs/dbraw/zinc/42/77/10/803427710.db2.gz AGNCJSPJGVHBLL-UHFFFAOYSA-N -1 1 291.713 3.457 20 0 CGADMM Cc1cc(-c2c(Cl)ccc([O-])c2F)ccc1C(N)=O ZINC001244542092 803429446 /nfs/dbraw/zinc/42/94/46/803429446.db2.gz IDZKDQGFNCNIFI-UHFFFAOYSA-N -1 1 279.698 3.259 20 0 CGADMM [O-]c1c(Cl)ccc(-c2cccc3cncn32)c1F ZINC001244632368 803474961 /nfs/dbraw/zinc/47/49/61/803474961.db2.gz MZOLLEHIKGDWBL-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM Nc1ccc(F)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001211833442 814945642 /nfs/dbraw/zinc/94/56/42/814945642.db2.gz YYVKZBBOQGROJU-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM Cc1cc(-c2cccn3cncc23)cc(C)c1C(=O)[O-] ZINC001244948335 803588137 /nfs/dbraw/zinc/58/81/37/803588137.db2.gz JSDWQBCXZMNXOS-UHFFFAOYSA-N -1 1 266.300 3.316 20 0 CGADMM C[C@H](NC(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001135609814 803606659 /nfs/dbraw/zinc/60/66/59/803606659.db2.gz OIBMZPARJSPAJO-JTQLQIEISA-N -1 1 259.280 3.022 20 0 CGADMM CC1(c2ccnc(-c3cc(Cl)ccc3[O-])c2)OCCO1 ZINC001245048659 803621162 /nfs/dbraw/zinc/62/11/62/803621162.db2.gz LRFKMTCYGHFFRP-UHFFFAOYSA-N -1 1 291.734 3.327 20 0 CGADMM COC(=O)[C@@H](C)c1ccc(-c2cc(Cl)ccc2[O-])nc1 ZINC001245050833 803622998 /nfs/dbraw/zinc/62/29/98/803622998.db2.gz NAHJIOSCUGVGDI-VIFPVBQESA-N -1 1 291.734 3.384 20 0 CGADMM CC1(c2cccc(-c3cc(Cl)ccc3[O-])n2)OCCO1 ZINC001245052703 803624155 /nfs/dbraw/zinc/62/41/55/803624155.db2.gz SBQLVRLMCIWPSB-UHFFFAOYSA-N -1 1 291.734 3.327 20 0 CGADMM Cc1nc(NC(=O)Cc2ccc([O-])c(Cl)c2)sc1C ZINC001136658695 803649463 /nfs/dbraw/zinc/64/94/63/803649463.db2.gz GLBWUOXQWIREOS-UHFFFAOYSA-N -1 1 296.779 3.300 20 0 CGADMM Cc1cccc2c1CCN(C(=O)c1ccc(F)c([O-])c1)C2 ZINC001136701758 803650352 /nfs/dbraw/zinc/65/03/52/803650352.db2.gz LOOFSCJHIDDYAM-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1ccc(F)c([O-])c1 ZINC001136722786 803650674 /nfs/dbraw/zinc/65/06/74/803650674.db2.gz LJRVKDPBVNBMAI-AWEZNQCLSA-N -1 1 289.281 3.088 20 0 CGADMM CC[C@@H]1CCCCCN1C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001136870715 803657515 /nfs/dbraw/zinc/65/75/15/803657515.db2.gz KUHHRSANEGVMMF-CQSZACIVSA-N -1 1 289.375 3.308 20 0 CGADMM Cc1cnc(C(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c([O-])c1 ZINC001137191682 803695503 /nfs/dbraw/zinc/69/55/03/803695503.db2.gz MYHKJQWVPDKZJM-RYUDHWBXSA-N -1 1 276.380 3.040 20 0 CGADMM O=C([O-])c1cc(Cl)cc(Nc2ccc3nccn3c2)c1 ZINC001211958473 814962078 /nfs/dbraw/zinc/96/20/78/814962078.db2.gz SFGVGRCEKTWDRG-UHFFFAOYSA-N -1 1 287.706 3.430 20 0 CGADMM Clc1cc([N-]c2nonc2C2CC2)cc(Cl)n1 ZINC001212092011 814975674 /nfs/dbraw/zinc/97/56/74/814975674.db2.gz CHLQMGYODNRNNW-UHFFFAOYSA-N -1 1 271.107 3.392 20 0 CGADMM COC(=O)c1cnc(-c2c(F)ccc([O-])c2Cl)c(F)c1 ZINC001245826157 803980628 /nfs/dbraw/zinc/98/06/28/803980628.db2.gz FJGKJQKNPIAJEE-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM Cc1nc2ccc(-c3c(F)ccc([O-])c3Cl)nc2n1C ZINC001245826115 803981757 /nfs/dbraw/zinc/98/17/57/803981757.db2.gz CNKWUVNISGMNQJ-UHFFFAOYSA-N -1 1 291.713 3.442 20 0 CGADMM COCc1ccc(-c2c(F)ccc([O-])c2Cl)nc1 ZINC001245830826 803983935 /nfs/dbraw/zinc/98/39/35/803983935.db2.gz UZVGTSRUUKWTBX-UHFFFAOYSA-N -1 1 267.687 3.393 20 0 CGADMM CSc1ccc(-c2c(F)ccc([O-])c2Cl)nn1 ZINC001245830874 803984619 /nfs/dbraw/zinc/98/46/19/803984619.db2.gz XHUSXJIESRPSKN-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM Cc1nc2c(ccn2C)c(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245830519 803985184 /nfs/dbraw/zinc/98/51/84/803985184.db2.gz PFZMTQMLYAUTLW-UHFFFAOYSA-N -1 1 291.713 3.442 20 0 CGADMM Cc1cn2cc(-c3c(F)ccc([O-])c3Cl)ncc2n1 ZINC001245832057 803985928 /nfs/dbraw/zinc/98/59/28/803985928.db2.gz UUABJNVHWFVUEF-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM COc1ccnc(F)c1-c1c(F)ccc([O-])c1Cl ZINC001245834367 803987768 /nfs/dbraw/zinc/98/77/68/803987768.db2.gz GJYXXUPNLJCQIQ-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM Cc1ccc(O)c(-n2[n-]c(-c3cccc(F)c3)cc2=O)c1 ZINC001245919748 804049070 /nfs/dbraw/zinc/04/90/70/804049070.db2.gz CHADOJJSEZTVEQ-UHFFFAOYSA-N -1 1 284.290 3.398 20 0 CGADMM CC(=O)Nc1ccc(-n2[n-]c(CC3CCCC3)cc2=O)cc1 ZINC001245933214 804063554 /nfs/dbraw/zinc/06/35/54/804063554.db2.gz YFERXWJJJRRGDT-UHFFFAOYSA-N -1 1 299.374 3.269 20 0 CGADMM Cc1ccccc1-c1cc(=O)n(-c2ccccc2C(=O)[O-])[nH]1 ZINC001245935250 804065270 /nfs/dbraw/zinc/06/52/70/804065270.db2.gz DXPGZSAXZUFKLP-UHFFFAOYSA-N -1 1 294.310 3.252 20 0 CGADMM C[C@@H]1CCC[C@H]1n1[n-]c(-c2ccc(N)cc2)cc1=O ZINC001245936377 804066562 /nfs/dbraw/zinc/06/65/62/804066562.db2.gz JWPCYHISBSBKHW-QMTHXVAHSA-N -1 1 257.337 3.199 20 0 CGADMM C[C@H]1CCC[C@H]1n1[n-]c(-c2ccc(N)cc2)cc1=O ZINC001245936375 804067724 /nfs/dbraw/zinc/06/77/24/804067724.db2.gz JWPCYHISBSBKHW-IINYFYTJSA-N -1 1 257.337 3.199 20 0 CGADMM CCCCCc1cc(=O)n(-c2cccc(N(C)C)c2)[n-]1 ZINC001245943308 804076831 /nfs/dbraw/zinc/07/68/31/804076831.db2.gz UAFIUNQTOWELGR-UHFFFAOYSA-N -1 1 273.380 3.377 20 0 CGADMM Cc1[nH]c(CN2Cc3ccccc3[C@H](C)C2)c(C)c1C(=O)[O-] ZINC001140493548 804446451 /nfs/dbraw/zinc/44/64/51/804446451.db2.gz CNFIPIZTACXZHK-LLVKDONJSA-N -1 1 298.386 3.449 20 0 CGADMM CCOc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1C ZINC001140567688 804461895 /nfs/dbraw/zinc/46/18/95/804461895.db2.gz QMWNYCVAYGGCCD-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM Cc1cc([C@@H]2CCCN2Cc2ccc([O-])c(F)c2F)no1 ZINC001140890086 804541708 /nfs/dbraw/zinc/54/17/08/804541708.db2.gz UOOYFYRZKALUSP-LBPRGKRZSA-N -1 1 294.301 3.304 20 0 CGADMM [O-]c1ccc(CN2CCC[C@H]2c2cccnc2)c(F)c1F ZINC001140889642 804541855 /nfs/dbraw/zinc/54/18/55/804541855.db2.gz IVXLUJFBXYLEPM-ZDUSSCGKSA-N -1 1 290.313 3.403 20 0 CGADMM C[C@@H]1c2cccn2CCN1Cc1ccc([O-])c(F)c1F ZINC001140893191 804545214 /nfs/dbraw/zinc/54/52/14/804545214.db2.gz KEWVKQLLDWUFRO-SNVBAGLBSA-N -1 1 278.302 3.049 20 0 CGADMM C[C@@H]1Cc2cccc(C(=O)Nc3c([O-])cccc3F)c2O1 ZINC001165751279 807017915 /nfs/dbraw/zinc/01/79/15/807017915.db2.gz JRRQVNGJZWCECU-SECBINFHSA-N -1 1 287.290 3.107 20 0 CGADMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1ccc(F)c([O-])c1 ZINC001141461368 804642329 /nfs/dbraw/zinc/64/23/29/804642329.db2.gz UFGUJPWORMMPGH-HNNXBMFYSA-N -1 1 299.345 3.455 20 0 CGADMM CC(C)CC1(C)CCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001141751434 804667953 /nfs/dbraw/zinc/66/79/53/804667953.db2.gz RJMSPARQGSOXOJ-UHFFFAOYSA-N -1 1 276.380 3.076 20 0 CGADMM CC(C)CC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001142710065 804760713 /nfs/dbraw/zinc/76/07/13/804760713.db2.gz IPBDTTUUKQKYOY-UHFFFAOYSA-N -1 1 261.243 3.396 20 0 CGADMM CSCCCNC(=S)Nc1cccc([O-])c1Cl ZINC001247874673 804849066 /nfs/dbraw/zinc/84/90/66/804849066.db2.gz AWEVGWGJLIDLDI-UHFFFAOYSA-N -1 1 290.841 3.085 20 0 CGADMM [O-]c1cc(F)c(CN2CCc3sccc3C2)c(F)c1 ZINC001144545029 805000178 /nfs/dbraw/zinc/00/01/78/805000178.db2.gz PEQCIRALOYGDAW-UHFFFAOYSA-N -1 1 281.327 3.290 20 0 CGADMM [O-]c1cc(F)c(CN2Cc3cnc(Cl)cc3C2)c(F)c1 ZINC001144567618 805005928 /nfs/dbraw/zinc/00/59/28/805005928.db2.gz VDKGSPYOEDWQMO-UHFFFAOYSA-N -1 1 296.704 3.235 20 0 CGADMM CN(Cc1ccccc1)Cc1cc(F)c([O-])cc1F ZINC001144646954 805021867 /nfs/dbraw/zinc/02/18/67/805021867.db2.gz RVZXINNXDNXFHA-UHFFFAOYSA-N -1 1 263.287 3.302 20 0 CGADMM O=C1CCN(Cc2cc(F)c([O-])cc2F)[C@H]2CCCC[C@H]12 ZINC001144646963 805022697 /nfs/dbraw/zinc/02/26/97/805022697.db2.gz SHAWHOJHUVZUGV-FZMZJTMJSA-N -1 1 295.329 3.004 20 0 CGADMM C[C@H](CNC(=O)c1ccc(F)c([O-])c1)Cc1cccs1 ZINC001148445344 805183621 /nfs/dbraw/zinc/18/36/21/805183621.db2.gz ZSDLKCFAYWOGPV-JTQLQIEISA-N -1 1 293.363 3.201 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C2(CC2)C1 ZINC001148800584 805211073 /nfs/dbraw/zinc/21/10/73/805211073.db2.gz IKRVKLOTKDXGKH-SECBINFHSA-N -1 1 299.292 3.426 20 0 CGADMM O=C(Nc1c[nH]cn1)c1cccc(-c2ccccc2)c1[O-] ZINC001148861500 805213467 /nfs/dbraw/zinc/21/34/67/805213467.db2.gz RRYQYOOXWFPGEL-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM CC[C@@H](NC(=O)c1ccc2cccnc2c1[O-])C(F)(F)F ZINC001149328270 805228801 /nfs/dbraw/zinc/22/88/01/805228801.db2.gz GDJHXVJRMDEUOQ-SNVBAGLBSA-N -1 1 298.264 3.011 20 0 CGADMM C[C@@H]1CCCN(Cc2ccc(F)c(C(=O)[O-])c2F)[C@@H]1C ZINC001249774429 805241858 /nfs/dbraw/zinc/24/18/58/805241858.db2.gz WLNZELCLJVZSGB-NXEZZACHSA-N -1 1 283.318 3.283 20 0 CGADMM Cc1ncc(Nc2cc([O-])c(F)c(F)c2F)c(Cl)n1 ZINC001249959522 805326658 /nfs/dbraw/zinc/32/66/58/805326658.db2.gz VYKLSNOFGUCOLL-UHFFFAOYSA-N -1 1 289.644 3.305 20 0 CGADMM Cc1ccnc(F)c1Nc1ccnc(Cl)c1[O-] ZINC001212556577 815067514 /nfs/dbraw/zinc/06/75/14/815067514.db2.gz HIRGOAUYDBCLNX-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1c(O)cccc1F ZINC001249994848 805352225 /nfs/dbraw/zinc/35/22/25/805352225.db2.gz SGJOQTOZOSVVAE-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM [O-]c1c(F)cc(F)cc1COCc1ccccc1 ZINC001249999681 805356915 /nfs/dbraw/zinc/35/69/15/805356915.db2.gz MZQHTLLXYAGEIP-UHFFFAOYSA-N -1 1 250.244 3.387 20 0 CGADMM NC(=O)c1cccc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250022556 805373975 /nfs/dbraw/zinc/37/39/75/805373975.db2.gz MQXWBMHMULUPOB-UHFFFAOYSA-N -1 1 280.686 3.027 20 0 CGADMM [O-]c1cc(F)c(Nc2nonc2C2CC2)cc1Cl ZINC001250023573 805374918 /nfs/dbraw/zinc/37/49/18/805374918.db2.gz PUSWNFPBHPMYBN-UHFFFAOYSA-N -1 1 269.663 3.189 20 0 CGADMM Nc1cccc(O)c1Nc1cc(Cl)c([O-])cc1F ZINC001250026217 805376124 /nfs/dbraw/zinc/37/61/24/805376124.db2.gz OPSHUHMGQHHNGP-UHFFFAOYSA-N -1 1 268.675 3.216 20 0 CGADMM CSc1c(Cl)cccc1[N-]c1nnc(C)o1 ZINC001250158047 805451404 /nfs/dbraw/zinc/45/14/04/805451404.db2.gz UXLVZALOAHSELQ-UHFFFAOYSA-N -1 1 255.730 3.497 20 0 CGADMM Cc1ccc(N)c2nn(-c3ccc(Cl)c([O-])c3)cc21 ZINC001212591462 815079801 /nfs/dbraw/zinc/07/98/01/815079801.db2.gz NOPJRGLZMONLNU-UHFFFAOYSA-N -1 1 273.723 3.275 20 0 CGADMM [O-]c1ccc(F)c(Nc2cnncc2Cl)c1Cl ZINC001250228656 805504385 /nfs/dbraw/zinc/50/43/85/805504385.db2.gz JCRGVJIVNFTEMG-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM Nc1cn(-c2c(F)ccc([O-])c2Cl)c2cccnc12 ZINC001250230041 805506292 /nfs/dbraw/zinc/50/62/92/805506292.db2.gz RXZJMFGIWGTRCB-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM O=C1Cc2ccc(Nc3c(F)ccc([O-])c3Cl)cc2N1 ZINC001250232613 805508124 /nfs/dbraw/zinc/50/81/24/805508124.db2.gz SKHKGJKMNNATID-UHFFFAOYSA-N -1 1 292.697 3.423 20 0 CGADMM CNC(=O)c1ccccc1Nc1c(F)ccc([O-])c1Cl ZINC001250233337 805508145 /nfs/dbraw/zinc/50/81/45/805508145.db2.gz MQAWWDXYYAQMIF-UHFFFAOYSA-N -1 1 294.713 3.288 20 0 CGADMM NC(=O)c1cccc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250234536 805509586 /nfs/dbraw/zinc/50/95/86/805509586.db2.gz RBJACIJFGHLGLP-UHFFFAOYSA-N -1 1 280.686 3.027 20 0 CGADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@@H]1CCCSC1 ZINC001257667601 807209382 /nfs/dbraw/zinc/20/93/82/807209382.db2.gz HUCDXGHPVDBMCE-GFCCVEGCSA-N -1 1 289.404 3.194 20 0 CGADMM CC(C)(C)Cc1nnc(-c2cc([O-])cc(F)c2F)o1 ZINC001257903446 807248355 /nfs/dbraw/zinc/24/83/55/807248355.db2.gz LFTRIXSPFGGLFY-UHFFFAOYSA-N -1 1 268.263 3.309 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC001260743534 807704645 /nfs/dbraw/zinc/70/46/45/807704645.db2.gz PBSOBTGKUAZJIQ-SNVBAGLBSA-N -1 1 289.372 3.153 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)NC1(C(F)(F)F)CC1 ZINC001262323535 807846941 /nfs/dbraw/zinc/84/69/41/807846941.db2.gz NSYPOSJRTINRAZ-UHFFFAOYSA-N -1 1 294.660 3.262 20 0 CGADMM CO/C(=C\c1ccccc1)C(=O)Nc1cccc(F)c1[O-] ZINC001171637979 808109326 /nfs/dbraw/zinc/10/93/26/808109326.db2.gz REQHSTQLNLPPDV-UVTDQMKNSA-N -1 1 287.290 3.157 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccccc1F ZINC001173845114 808706940 /nfs/dbraw/zinc/70/69/40/808706940.db2.gz IHYXEKKGMLRBJZ-UHFFFAOYSA-N -1 1 271.247 3.381 20 0 CGADMM COc1ncc(Nc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001174035608 808832930 /nfs/dbraw/zinc/83/29/30/808832930.db2.gz FXYUXGLGMLVSJD-UHFFFAOYSA-N -1 1 286.118 3.241 20 0 CGADMM Cc1nnc([N-]c2ccc(C(=O)Nc3ccccc3)cc2)o1 ZINC001174159706 808894520 /nfs/dbraw/zinc/89/45/20/808894520.db2.gz KOZVCWRXIUQUEK-UHFFFAOYSA-N -1 1 294.314 3.374 20 0 CGADMM Cn1nc(C(F)(F)F)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001174325632 808952102 /nfs/dbraw/zinc/95/21/02/808952102.db2.gz HBWBSMQURCDWCF-UHFFFAOYSA-N -1 1 293.195 3.166 20 0 CGADMM Nc1ccc(Nc2cc(F)c([O-])c(F)c2)c(F)c1 ZINC001174482601 809038046 /nfs/dbraw/zinc/03/80/46/809038046.db2.gz VGNJOZNPDCTCIL-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc2cn[nH]c2c1 ZINC001174498754 809046651 /nfs/dbraw/zinc/04/66/51/809046651.db2.gz QZXHCRKHYIDOMR-UHFFFAOYSA-N -1 1 293.282 3.119 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc2c[nH]nc2c1 ZINC001174498754 809046656 /nfs/dbraw/zinc/04/66/56/809046656.db2.gz QZXHCRKHYIDOMR-UHFFFAOYSA-N -1 1 293.282 3.119 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cnn([C@H]2CCCCO2)c1 ZINC001174608391 809101479 /nfs/dbraw/zinc/10/14/79/809101479.db2.gz QVTYCYZRVWJZHR-GFCCVEGCSA-N -1 1 295.289 3.310 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cc(F)ccc1O ZINC001174625919 809108470 /nfs/dbraw/zinc/10/84/70/809108470.db2.gz MGVUKXAKHRUNFO-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM CC(C)Oc1ccc([N-]c2nnc(-c3ccco3)o2)cn1 ZINC001174761579 809157419 /nfs/dbraw/zinc/15/74/19/809157419.db2.gz MOKKLYBANYPUFW-UHFFFAOYSA-N -1 1 286.291 3.255 20 0 CGADMM Cc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1N ZINC001174937147 809207803 /nfs/dbraw/zinc/20/78/03/809207803.db2.gz YRBCWOBWYUKKNS-UHFFFAOYSA-N -1 1 250.248 3.305 20 0 CGADMM COc1cc(Nc2cc(C(=O)[O-])ccc2C)ncc1C ZINC001174982752 809225756 /nfs/dbraw/zinc/22/57/56/809225756.db2.gz WYADNQVJRANRKW-UHFFFAOYSA-N -1 1 272.304 3.149 20 0 CGADMM CC(=O)c1cccnc1Nc1c(F)ccc([O-])c1F ZINC001175263173 809329006 /nfs/dbraw/zinc/32/90/06/809329006.db2.gz PKKSCOYKJDFSHA-UHFFFAOYSA-N -1 1 264.231 3.012 20 0 CGADMM Cc1ccc([C@@H](NC(=O)c2ncc(C)cc2[O-])C2CC2)cc1 ZINC001290484679 809408996 /nfs/dbraw/zinc/40/89/96/809408996.db2.gz SAUHOZUOAKDDKJ-MRXNPFEDSA-N -1 1 296.370 3.285 20 0 CGADMM Cn1ncc2cccc(Nc3cc([O-])c(F)c(F)c3)c21 ZINC001175445730 809409143 /nfs/dbraw/zinc/40/91/43/809409143.db2.gz AVVFYSHIMJINEW-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM Cc1cc(C)c(CNC(=O)c2cccc([O-])c2F)c(C)c1 ZINC001290744818 809415003 /nfs/dbraw/zinc/41/50/03/809415003.db2.gz YREBIPIXSPNBIV-UHFFFAOYSA-N -1 1 287.334 3.387 20 0 CGADMM CC(C)(C)CCCNC(=O)c1ccc(F)c([O-])c1 ZINC001293777119 809455396 /nfs/dbraw/zinc/45/53/96/809455396.db2.gz NDBKNAXUXVCCCM-UHFFFAOYSA-N -1 1 253.317 3.087 20 0 CGADMM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1c([O-])cccc1F ZINC001294139756 809461663 /nfs/dbraw/zinc/46/16/63/809461663.db2.gz PUSUJOQDTZKGGS-AAEUAGOBSA-N -1 1 277.339 3.230 20 0 CGADMM C[C@@H]1CC[C@H](CNC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001297382977 809517048 /nfs/dbraw/zinc/51/70/48/809517048.db2.gz YWOSRYKUCLFBKZ-NEPJUHHUSA-N -1 1 284.359 3.106 20 0 CGADMM CCSCc1ccc(NC(=O)c2ccc([O-])cn2)cc1 ZINC001298038417 809527065 /nfs/dbraw/zinc/52/70/65/809527065.db2.gz CEKXKPUAAVJZKG-UHFFFAOYSA-N -1 1 288.372 3.293 20 0 CGADMM CCOc1ccc(Nc2cc([O-])c(F)c(F)c2)cn1 ZINC001175744049 809528887 /nfs/dbraw/zinc/52/88/87/809528887.db2.gz LWINLVJWQMWJGR-UHFFFAOYSA-N -1 1 266.247 3.208 20 0 CGADMM Cc1cc(C)c(NC2=CCCCC2)c(S(=O)(=O)[O-])c1 ZINC001175754564 809532543 /nfs/dbraw/zinc/53/25/43/809532543.db2.gz FMUDHEJUODFZFW-UHFFFAOYSA-N -1 1 281.377 3.420 20 0 CGADMM CSc1cc(C(=O)Nc2cc([O-])c(F)cc2F)ccn1 ZINC001298973470 809542763 /nfs/dbraw/zinc/54/27/63/809542763.db2.gz KOGRBNNKDAMELY-UHFFFAOYSA-N -1 1 296.298 3.040 20 0 CGADMM O=C(Nc1ccccc1-c1ncco1)c1ccccc1[O-] ZINC001301155640 809580041 /nfs/dbraw/zinc/58/00/41/809580041.db2.gz CWNZVDBATJEGMB-UHFFFAOYSA-N -1 1 280.283 3.300 20 0 CGADMM O=C(Nc1cccc(NC2CCCC2)c1)c1ccc([O-])cn1 ZINC001301561660 809585419 /nfs/dbraw/zinc/58/54/19/809585419.db2.gz QKGIFAGIEQFJHS-UHFFFAOYSA-N -1 1 297.358 3.394 20 0 CGADMM Cc1ccc(F)cc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001303297303 809607999 /nfs/dbraw/zinc/60/79/99/809607999.db2.gz WKAYWXHQJWISHI-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM Cc1ccc(-c2noc(-c3cnc(C(F)(F)F)[n-]3)n2)cc1 ZINC001213590067 815307393 /nfs/dbraw/zinc/30/73/93/815307393.db2.gz WZDJKNICJKCLAV-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM Cc1ccc(-c2noc(-c3c[n-]c(C(F)(F)F)n3)n2)cc1 ZINC001213590067 815307398 /nfs/dbraw/zinc/30/73/98/815307398.db2.gz WZDJKNICJKCLAV-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM O=C1Cc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2N1 ZINC001176671415 809739514 /nfs/dbraw/zinc/73/95/14/809739514.db2.gz COQDZCIPHIFZBE-UHFFFAOYSA-N -1 1 294.232 3.048 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc3ncncc3c2)c1F ZINC001176670173 809739720 /nfs/dbraw/zinc/73/97/20/809739720.db2.gz AUSWXPWJQWEHCZ-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM CC(=O)c1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1O ZINC001176672901 809741224 /nfs/dbraw/zinc/74/12/24/809741224.db2.gz NNCWFDDMODFQIP-UHFFFAOYSA-N -1 1 297.232 3.461 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1ccc(CF)cc1 ZINC001176993932 809773268 /nfs/dbraw/zinc/77/32/68/809773268.db2.gz JTXANRVFPJFUKP-UHFFFAOYSA-N -1 1 293.725 3.445 20 0 CGADMM COC(=O)Cc1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001213718446 815325157 /nfs/dbraw/zinc/32/51/57/815325157.db2.gz DSLRMXBWWYTHON-UHFFFAOYSA-N -1 1 293.269 3.130 20 0 CGADMM CC(C)(CNC(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC001179378135 809918341 /nfs/dbraw/zinc/91/83/41/809918341.db2.gz QHVSZFPVYLMKOZ-UHFFFAOYSA-N -1 1 267.756 3.212 20 0 CGADMM O=c1ccc2c([N-]c3nnc(-c4ccco4)o3)cccc2[nH]1 ZINC001213967840 815352601 /nfs/dbraw/zinc/35/26/01/815352601.db2.gz PLQOVXAKPHXLJK-UHFFFAOYSA-N -1 1 294.270 3.327 20 0 CGADMM CC1(CC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)CCC1 ZINC001185094014 810234205 /nfs/dbraw/zinc/23/42/05/810234205.db2.gz BEGFUAKWIFDFHK-UHFFFAOYSA-N -1 1 285.347 3.097 20 0 CGADMM Cc1cc2c(cccc2NC(=O)c2ccc([O-])cc2F)nn1 ZINC001186328742 810329509 /nfs/dbraw/zinc/32/95/09/810329509.db2.gz HDYBOIOMWDAINO-UHFFFAOYSA-N -1 1 297.289 3.035 20 0 CGADMM O=C(Nc1nccs1)Nc1cc([O-])c(Cl)cc1F ZINC001189376668 810565540 /nfs/dbraw/zinc/56/55/40/810565540.db2.gz NEVOHJDAPCXNBZ-UHFFFAOYSA-N -1 1 287.703 3.285 20 0 CGADMM COc1cc([O-])c(C(=O)Nc2cc(C)cs2)c(OC)c1 ZINC001190110798 810608551 /nfs/dbraw/zinc/60/85/51/810608551.db2.gz YCVZCDUULKHQTL-UHFFFAOYSA-N -1 1 293.344 3.032 20 0 CGADMM Cc1cccc(CNC(=O)Nc2cc(F)c([O-])c(F)c2)c1 ZINC001190994776 810661949 /nfs/dbraw/zinc/66/19/49/810661949.db2.gz KWUVCPLKADRKIB-UHFFFAOYSA-N -1 1 292.285 3.301 20 0 CGADMM O=C(NCCCc1ccccc1)Nc1c([O-])cccc1F ZINC001191199546 810688222 /nfs/dbraw/zinc/68/82/22/810688222.db2.gz AGGHIDTWXZDZNJ-UHFFFAOYSA-N -1 1 288.322 3.286 20 0 CGADMM O=S(=O)(CC1CCCC1)[N-]c1ccc(Cl)s1 ZINC001191489510 810719716 /nfs/dbraw/zinc/71/97/16/810719716.db2.gz QXHGAPWZBJUDFD-UHFFFAOYSA-N -1 1 279.814 3.333 20 0 CGADMM Cc1cnc(C)c(NC(=O)c2ccc(C(C)(C)C)cc2[O-])n1 ZINC001192313696 810785966 /nfs/dbraw/zinc/78/59/66/810785966.db2.gz HIMKOKJBCVXDRF-UHFFFAOYSA-N -1 1 299.374 3.349 20 0 CGADMM Nc1ccc2[nH]c(=S)n(-c3ccc(Cl)cc3[O-])c2c1 ZINC001214411588 815406175 /nfs/dbraw/zinc/40/61/75/815406175.db2.gz AETZATPVQHCPOJ-UHFFFAOYSA-N -1 1 291.763 3.255 20 0 CGADMM [O-]c1c(F)cc(Nc2cnccc2F)cc1Cl ZINC001214486660 815416085 /nfs/dbraw/zinc/41/60/85/815416085.db2.gz SINXSGSDBZRWBB-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM CCOc1cc(Nc2cc(F)c([O-])c(Cl)c2)no1 ZINC001214484317 815416425 /nfs/dbraw/zinc/41/64/25/815416425.db2.gz HRNCENUVNPQAMB-UHFFFAOYSA-N -1 1 272.663 3.315 20 0 CGADMM Cc1cncnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214486431 815416621 /nfs/dbraw/zinc/41/66/21/815416621.db2.gz HPVQJEFKIVLARY-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM CCC[C@@H](C)[C@@H](OCCCC[P@](=O)([O-])O)C(C)C ZINC001225019476 816933676 /nfs/dbraw/zinc/93/36/76/816933676.db2.gz XAMBTKVWQPBFDY-OLZOCXBDSA-N -1 1 280.345 3.422 20 0 CGADMM Cc1ccc(F)cc1NC(=O)c1c[n-]c(C(F)(F)F)n1 ZINC001194771069 811131182 /nfs/dbraw/zinc/13/11/82/811131182.db2.gz ZXXVSOVPCPMMPT-UHFFFAOYSA-N -1 1 287.216 3.128 20 0 CGADMM CC(C)CCOC(=O)Nc1cc(F)c([O-])cc1F ZINC001194879945 811161418 /nfs/dbraw/zinc/16/14/18/811161418.db2.gz JRPJTRYWLLCOBZ-UHFFFAOYSA-N -1 1 259.252 3.265 20 0 CGADMM [O-]c1ccc(NC(=S)NCc2ccccc2)c(F)c1F ZINC001195624183 811271403 /nfs/dbraw/zinc/27/14/03/811271403.db2.gz QCZCTCGJNHTNSL-UHFFFAOYSA-N -1 1 294.326 3.157 20 0 CGADMM [O-]c1cc(F)c(F)cc1NC(=S)NCc1ccccc1 ZINC001195630947 811271574 /nfs/dbraw/zinc/27/15/74/811271574.db2.gz CUILGRJPPNJQJH-UHFFFAOYSA-N -1 1 294.326 3.157 20 0 CGADMM O=C([N-]c1cnoc1)c1c(Cl)cc(Cl)nc1Cl ZINC001195909106 811300824 /nfs/dbraw/zinc/30/08/24/811300824.db2.gz LFMMGOBFDSVRRC-UHFFFAOYSA-N -1 1 292.509 3.282 20 0 CGADMM CC[C@H](C)NC(=S)Nc1cccc([O-])c1Cl ZINC001200482374 811702536 /nfs/dbraw/zinc/70/25/36/811702536.db2.gz MQCQLTDPSZUMMJ-ZETCQYMHSA-N -1 1 258.774 3.131 20 0 CGADMM CC[C@H](C)NC(=S)Nc1cccc(C(F)(F)F)c1[O-] ZINC001200497038 811707164 /nfs/dbraw/zinc/70/71/64/811707164.db2.gz QRRFULFUZPPALR-ZETCQYMHSA-N -1 1 292.326 3.496 20 0 CGADMM [O-]c1cc(F)c(NC(=S)Nc2ccccc2)c(F)c1 ZINC001200842489 811754496 /nfs/dbraw/zinc/75/44/96/811754496.db2.gz VFOPIFVYYMFHSQ-UHFFFAOYSA-N -1 1 280.299 3.479 20 0 CGADMM O=C(Nc1cccc([O-])c1Cl)NC1CCCCC1 ZINC001202614845 812136052 /nfs/dbraw/zinc/13/60/52/812136052.db2.gz BDXNQCZINLCYTB-UHFFFAOYSA-N -1 1 268.744 3.500 20 0 CGADMM COc1ccc(C)cc1NC(=O)Nc1c([O-])cccc1F ZINC001202866294 812189707 /nfs/dbraw/zinc/18/97/07/812189707.db2.gz OEWTZAXRRSMFJA-UHFFFAOYSA-N -1 1 290.294 3.492 20 0 CGADMM CCCOc1ccc([N-]c2nnc(C)o2)c(F)c1 ZINC001215486753 815524186 /nfs/dbraw/zinc/52/41/86/815524186.db2.gz SRXOWTARNURJMU-UHFFFAOYSA-N -1 1 251.261 3.050 20 0 CGADMM [O-]c1ccc(Cl)c(Nc2cnc3ccnn3c2)c1Cl ZINC001204814089 812744996 /nfs/dbraw/zinc/74/49/96/812744996.db2.gz QHSYHMLSOKYILJ-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM COCC[C@@H](NCc1ccc([O-])c(F)c1F)c1ccco1 ZINC001204960632 812798102 /nfs/dbraw/zinc/79/81/02/812798102.db2.gz DUNDQWMLRUJRMQ-LLVKDONJSA-N -1 1 297.301 3.131 20 0 CGADMM COc1cncc(Nc2cc([O-])c(F)c(F)c2)c1C ZINC001215734096 815568069 /nfs/dbraw/zinc/56/80/69/815568069.db2.gz FHUAKWAAQBINCD-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM CN(C)Cc1cccc(-c2ccsc2C(=O)[O-])c1F ZINC001205615190 813024724 /nfs/dbraw/zinc/02/47/24/813024724.db2.gz UMIVSPXJOUIJTE-UHFFFAOYSA-N -1 1 279.336 3.314 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc2c(c1)OCC2 ZINC001206678916 813398978 /nfs/dbraw/zinc/39/89/78/813398978.db2.gz ZAWUHMSJMFOBIJ-UHFFFAOYSA-N -1 1 263.243 3.349 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3c(c2)NCCO3)cc1F ZINC001209798051 814145288 /nfs/dbraw/zinc/14/52/88/814145288.db2.gz NBGCOEHSPBCOOJ-UHFFFAOYSA-N -1 1 278.258 3.218 20 0 CGADMM COc1c(F)ccc([N-]c2nonc2C2CC2)c1Cl ZINC001209801735 814147850 /nfs/dbraw/zinc/14/78/50/814147850.db2.gz URAVMBZYVLIZHK-UHFFFAOYSA-N -1 1 283.690 3.492 20 0 CGADMM [O-]c1c(Cl)c(Cl)ccc1Nc1ccnnc1 ZINC001209960236 814213712 /nfs/dbraw/zinc/21/37/12/814213712.db2.gz BNATXZYOZXZAOE-UHFFFAOYSA-N -1 1 256.092 3.233 20 0 CGADMM CN(C)c1ccccc1Nc1ccnc(Cl)c1[O-] ZINC001209988903 814232733 /nfs/dbraw/zinc/23/27/33/814232733.db2.gz CEOFXLUJVIWYGM-UHFFFAOYSA-N -1 1 263.728 3.250 20 0 CGADMM Cc1ccc2nc(N)n(-c3cc(C(=O)[O-])cc(F)c3C)c2c1 ZINC001210005219 814238825 /nfs/dbraw/zinc/23/88/25/814238825.db2.gz BSVRNJTWEDCHGZ-UHFFFAOYSA-N -1 1 299.305 3.062 20 0 CGADMM COc1cc(Nc2cc(C(=O)[O-])cc(F)c2C)ncc1C ZINC001210007565 814240518 /nfs/dbraw/zinc/24/05/18/814240518.db2.gz UULJYXWAGATUBZ-UHFFFAOYSA-N -1 1 290.294 3.288 20 0 CGADMM Cc1nonc1[N-]c1cccnc1OC1CCCCC1 ZINC001210027664 814251815 /nfs/dbraw/zinc/25/18/15/814251815.db2.gz NENBMQYBGCCTMX-UHFFFAOYSA-N -1 1 274.324 3.228 20 0 CGADMM COc1c(F)cccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001210399264 814445755 /nfs/dbraw/zinc/44/57/55/814445755.db2.gz PAQKXTGMWOVMME-UHFFFAOYSA-N -1 1 265.288 3.258 20 0 CGADMM COc1cc(F)c(F)cc1[N-]c1noc(C(C)(C)C)n1 ZINC001210547304 814518425 /nfs/dbraw/zinc/51/84/25/814518425.db2.gz PKVXDZPSSVXTNM-UHFFFAOYSA-N -1 1 283.278 3.398 20 0 CGADMM C[C@@H](O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001210648780 814572319 /nfs/dbraw/zinc/57/23/19/814572319.db2.gz HXGSXUPMJNSYOO-MRVPVSSYSA-N -1 1 265.259 3.467 20 0 CGADMM COc1cc(Nc2ccc(F)c(F)c2[O-])cc(C)n1 ZINC001210781225 814627442 /nfs/dbraw/zinc/62/74/42/814627442.db2.gz ZQHCPEAKWKMEOI-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM CC=C(C)Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001210795722 814630177 /nfs/dbraw/zinc/63/01/77/814630177.db2.gz GLHVNHXHFKXICU-XCVCLJGOSA-N -1 1 277.345 3.422 20 0 CGADMM Cc1nonc1[N-]c1cncc(-c2ccccc2)c1 ZINC001211021526 814708458 /nfs/dbraw/zinc/70/84/58/814708458.db2.gz CBTFKOHJNBFDKZ-UHFFFAOYSA-N -1 1 252.277 3.184 20 0 CGADMM COc1ncc(-c2cccc([O-])c2Cl)cc1F ZINC001242801147 823137136 /nfs/dbraw/zinc/13/71/36/823137136.db2.gz YCHPQRHHPIVVJJ-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM CN1Cc2cc(-c3cccc([O-])c3Cl)ccc2C1=O ZINC001242801320 823137239 /nfs/dbraw/zinc/13/72/39/823137239.db2.gz YHPTYONXMYQZRH-UHFFFAOYSA-N -1 1 273.719 3.298 20 0 CGADMM O=c1cnc(-c2cccc([O-])c2Cl)cn1-c1ccccc1 ZINC001242802291 823137970 /nfs/dbraw/zinc/13/79/70/823137970.db2.gz VMPBBICMNYNPJA-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM [O-]c1cccc(-c2cnc3c(c2)CCCN3)c1Cl ZINC001242802511 823138004 /nfs/dbraw/zinc/13/80/04/823138004.db2.gz AYAWCCWHQRWMRW-UHFFFAOYSA-N -1 1 260.724 3.108 20 0 CGADMM [O-]c1cc(F)c(-c2cccc(N3CCOCC3)c2)cc1F ZINC001211350123 814883724 /nfs/dbraw/zinc/88/37/24/814883724.db2.gz MLVUNVBFHZPGMK-UHFFFAOYSA-N -1 1 291.297 3.174 20 0 CGADMM [O-]c1cc(F)c(-c2cnc3ccncc3c2)cc1F ZINC001211353111 814884696 /nfs/dbraw/zinc/88/46/96/814884696.db2.gz UKDPQQDNLOTKSD-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(F)c(-c2ccnc3ncccc32)cc1F ZINC001211359783 814886724 /nfs/dbraw/zinc/88/67/24/814886724.db2.gz LVLVFBWCBBUVMT-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cccc(CO)c1F ZINC001211443577 814892928 /nfs/dbraw/zinc/89/29/28/814892928.db2.gz SGHHIXHPUBTNRA-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM COc1cc(Nc2cc(C)cc(C(=O)[O-])c2)ncc1C ZINC001211543069 814905116 /nfs/dbraw/zinc/90/51/16/814905116.db2.gz WFSCZMCFBCHQFN-UHFFFAOYSA-N -1 1 272.304 3.149 20 0 CGADMM Fc1ccc(C2CC2)c(F)c1[N-]c1cnns1 ZINC001215991755 815654305 /nfs/dbraw/zinc/65/43/05/815654305.db2.gz YYLCCIOQZPJYHY-UHFFFAOYSA-N -1 1 253.277 3.437 20 0 CGADMM Cc1c(F)cncc1Nc1c([O-])cc(F)cc1F ZINC001216193409 815731808 /nfs/dbraw/zinc/73/18/08/815731808.db2.gz WOFYJSLLLHEMFY-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM [O-]c1cc(F)c(F)c(-c2nc(-c3ccccc3)no2)c1 ZINC001216923868 815901206 /nfs/dbraw/zinc/90/12/06/815901206.db2.gz RTRZNWNCRKEPBE-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM Cc1cc(-c2noc(-c3c(C)cc(O)cc3[O-])n2)cnc1C ZINC001216987211 815905566 /nfs/dbraw/zinc/90/55/66/815905566.db2.gz VCXFBIVUGDNVJM-UHFFFAOYSA-N -1 1 297.314 3.135 20 0 CGADMM Cc1nc2cc(-c3ccccc3C(=O)[O-])ccc2[nH]1 ZINC001242878266 823161972 /nfs/dbraw/zinc/16/19/72/823161972.db2.gz HAAWJECSHMUFTL-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM COCc1cc(OC)ccc1-c1cc(F)c([O-])cc1F ZINC001222083177 816343155 /nfs/dbraw/zinc/34/31/55/816343155.db2.gz RSRXSFNJNIUYDU-UHFFFAOYSA-N -1 1 280.270 3.492 20 0 CGADMM Cc1ccc([C@@H](C)OCCCC[P@](=O)([O-])O)cc1 ZINC001225018750 816932980 /nfs/dbraw/zinc/93/29/80/816932980.db2.gz HEQMWVKHANZWJX-GFCCVEGCSA-N -1 1 272.281 3.031 20 0 CGADMM O=c1cc(O[C@@H]2C[C@H]3C[C@H]3C2)nc(-c2ccccc2)[n-]1 ZINC001226185520 817294083 /nfs/dbraw/zinc/29/40/83/817294083.db2.gz XZOQHLUOCJBIPY-CLLJXQQHSA-N -1 1 268.316 3.027 20 0 CGADMM CCC[C@@H]1CCCC[C@H]1Oc1nc(=O)[n-]cc1C(C)=O ZINC001226238276 817306525 /nfs/dbraw/zinc/30/65/25/817306525.db2.gz QRTVATALAUPZEA-DGCLKSJQSA-N -1 1 278.352 3.123 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H]3C=CCCC3)c12 ZINC001226483152 817372092 /nfs/dbraw/zinc/37/20/92/817372092.db2.gz AONCTPVPLDENMD-LBPRGKRZSA-N -1 1 272.300 3.295 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(OC3CCSCC3)c12 ZINC001226489503 817374010 /nfs/dbraw/zinc/37/40/10/817374010.db2.gz LAVFHHLVLXJXQG-UHFFFAOYSA-N -1 1 292.356 3.081 20 0 CGADMM COc1ccc([C@H](C)Oc2[n-]c(=S)ncc2F)c(F)c1 ZINC001227387196 817637259 /nfs/dbraw/zinc/63/72/59/817637259.db2.gz UWCLRRXSGRYYCA-ZETCQYMHSA-N -1 1 298.314 3.192 20 0 CGADMM COC(=O)[C@H]1C[C@@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227641140 817685790 /nfs/dbraw/zinc/68/57/90/817685790.db2.gz KSDQASLJEMYAPN-KNVOCYPGSA-N -1 1 291.130 3.029 20 0 CGADMM [O-]c1cc(Cl)c(OC[C@@H]2CCCO2)cc1Cl ZINC001227641896 817687346 /nfs/dbraw/zinc/68/73/46/817687346.db2.gz TZNCAWXQOZUIQV-ZETCQYMHSA-N -1 1 263.120 3.257 20 0 CGADMM CC[C@@H](CC(=O)OC)Oc1cc(Cl)c([O-])cc1Cl ZINC001227642158 817687038 /nfs/dbraw/zinc/68/70/38/817687038.db2.gz VZYNVJPBDGXOOA-ZETCQYMHSA-N -1 1 293.146 3.420 20 0 CGADMM C[C@H]1CC[C@@H](Oc2[n-]c(=S)nc3cnccc32)C1 ZINC001227881695 817742545 /nfs/dbraw/zinc/74/25/45/817742545.db2.gz NQJKPPWLUFIVNU-DTWKUNHWSA-N -1 1 261.350 3.255 20 0 CGADMM C[C@H](Oc1[n-]c(=S)nc2cnccc21)c1nccs1 ZINC001227886065 817743995 /nfs/dbraw/zinc/74/39/95/817743995.db2.gz QASIGBVORZPPOW-ZETCQYMHSA-N -1 1 290.373 3.284 20 0 CGADMM O=C(c1ccccc1)c1ccc([O-])cc1O[C@H]1CCCOC1 ZINC001228182156 817834470 /nfs/dbraw/zinc/83/44/70/817834470.db2.gz BUMOWUNPLOWUGK-HNNXBMFYSA-N -1 1 298.338 3.181 20 0 CGADMM CCCCCC[C@@H](CCC)Oc1nc(C(=O)OC)n[n-]1 ZINC001228312609 817871979 /nfs/dbraw/zinc/87/19/79/817871979.db2.gz UQMDTEJDKTWQOM-LLVKDONJSA-N -1 1 283.372 3.109 20 0 CGADMM CCCCCC[C@@H](CCC)Oc1n[n-]c(C(=O)OC)n1 ZINC001228312609 817871983 /nfs/dbraw/zinc/87/19/83/817871983.db2.gz UQMDTEJDKTWQOM-LLVKDONJSA-N -1 1 283.372 3.109 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)C(F)(F)F ZINC001228554267 817936897 /nfs/dbraw/zinc/93/68/97/817936897.db2.gz JSENWHQOXRDLOA-LURJTMIESA-N -1 1 278.226 3.020 20 0 CGADMM CCCCC[C@@H](Oc1cnnc(=S)[n-]1)C(C)C ZINC001228641231 817961181 /nfs/dbraw/zinc/96/11/81/817961181.db2.gz ALDKOZSVUMUHFI-SNVBAGLBSA-N -1 1 255.387 3.144 20 0 CGADMM Cc1ccc(Cl)cc1[C@H](C)Oc1cnnc(=S)[n-]1 ZINC001228643302 817962658 /nfs/dbraw/zinc/96/26/58/817962658.db2.gz ZVDSAAJLIZUWLV-QMMMGPOBSA-N -1 1 281.768 3.262 20 0 CGADMM C[C@@]1(F)CCCN(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231733098 818160964 /nfs/dbraw/zinc/16/09/64/818160964.db2.gz MNYDNUCLLHPXTE-CYBMUJFWSA-N -1 1 257.736 3.370 20 0 CGADMM Cc1noc([C@@H]2CCCN2Cc2ccc(Cl)c([O-])c2)n1 ZINC001231736367 818163785 /nfs/dbraw/zinc/16/37/85/818163785.db2.gz IBISZGKTEDFPDY-LBPRGKRZSA-N -1 1 293.754 3.074 20 0 CGADMM C[C@@H]1CCN(Cc2cc([O-])c(F)c(F)c2)CC1(F)F ZINC001232970994 818488602 /nfs/dbraw/zinc/48/86/02/818488602.db2.gz PXOFDCQMXMLBFQ-MRVPVSSYSA-N -1 1 277.261 3.148 20 0 CGADMM Cc1ccc(CN(C)Cc2cc([O-])c(F)c(F)c2)cn1 ZINC001232974499 818490705 /nfs/dbraw/zinc/49/07/05/818490705.db2.gz VNRYOFYZGOQFHJ-UHFFFAOYSA-N -1 1 278.302 3.006 20 0 CGADMM Cn1ccc2ncc(-c3ccc([O-])c(F)c3F)cc21 ZINC001243340517 823353941 /nfs/dbraw/zinc/35/39/41/823353941.db2.gz CEAFNWARHPEMIO-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM [O-]c1ccc(-c2ccc3nsnc3c2)c(F)c1F ZINC001243341952 823355653 /nfs/dbraw/zinc/35/56/53/823355653.db2.gz FXKKVTKGPBEICS-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM CCOc1cncc(-c2ccc([O-])c(F)c2F)c1 ZINC001243342582 823356853 /nfs/dbraw/zinc/35/68/53/823356853.db2.gz JHUSEWZBUFXJLA-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM CSc1ncc(-c2ccc([O-])c(F)c2F)c(C)n1 ZINC001243343640 823359669 /nfs/dbraw/zinc/35/96/69/823359669.db2.gz KUFZHKQGGUSDHB-UHFFFAOYSA-N -1 1 268.288 3.158 20 0 CGADMM CCCC[C@H](C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234038639 818765388 /nfs/dbraw/zinc/76/53/88/818765388.db2.gz DCENFWKFVXYDKC-JTQLQIEISA-N -1 1 276.336 3.307 20 0 CGADMM CCCC[C@H](C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234038639 818765393 /nfs/dbraw/zinc/76/53/93/818765393.db2.gz DCENFWKFVXYDKC-JTQLQIEISA-N -1 1 276.336 3.307 20 0 CGADMM CCCC/C=C/[C@H](C)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234606875 818889787 /nfs/dbraw/zinc/88/97/87/818889787.db2.gz QGLCQYJSABOEKW-JARNTUPDSA-N -1 1 297.326 3.227 20 0 CGADMM COC(=O)c1cccc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243502874 823421797 /nfs/dbraw/zinc/42/17/97/823421797.db2.gz ATWSVHZHVILLEI-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM O=C1Nc2cc(-c3cc(F)cc(F)c3[O-])ccc2C12CC2 ZINC001243503409 823422371 /nfs/dbraw/zinc/42/23/71/823422371.db2.gz BSDXJNRFXZOBKS-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM COc1cc(F)c(-c2cc(F)cc(F)c2[O-])c(OC)c1 ZINC001243503761 823422740 /nfs/dbraw/zinc/42/27/40/823422740.db2.gz HHGWYKLELAXUIF-UHFFFAOYSA-N -1 1 284.233 3.494 20 0 CGADMM COc1cnc(C)c(-c2cc(F)cc(F)c2[O-])c1 ZINC001243504714 823423024 /nfs/dbraw/zinc/42/30/24/823423024.db2.gz ONYHENKBSBJFNL-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM O=C1CSc2cc(-c3cc(F)cc(F)c3[O-])ccc2N1 ZINC001243505030 823423169 /nfs/dbraw/zinc/42/31/69/823423169.db2.gz FTGVCZLCBGXRNT-UHFFFAOYSA-N -1 1 293.294 3.382 20 0 CGADMM COc1ccc(-c2cc(F)cc(F)c2[O-])c(OC)c1F ZINC001243505058 823423174 /nfs/dbraw/zinc/42/31/74/823423174.db2.gz APMXYTHWBSUJKS-UHFFFAOYSA-N -1 1 284.233 3.494 20 0 CGADMM CC(C)n1cccc(-c2cc(F)cc(F)c2[O-])c1=O ZINC001243505812 823424171 /nfs/dbraw/zinc/42/41/71/823424171.db2.gz VVCXEJHJKSLUPS-UHFFFAOYSA-N -1 1 265.259 3.080 20 0 CGADMM COc1cccc2cnc(-c3cccc([O-])c3F)nc21 ZINC001243543623 823436481 /nfs/dbraw/zinc/43/64/81/823436481.db2.gz VHIBBXKHZSCNEG-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM [O-]c1cc(F)c(CN2CCC3(CC3)C2)cc1Cl ZINC001238145679 819942276 /nfs/dbraw/zinc/94/22/76/819942276.db2.gz FDXNTAQGYKLKOJ-UHFFFAOYSA-N -1 1 255.720 3.171 20 0 CGADMM NC(=O)c1ccc2cc(-c3ccc(Cl)c([O-])c3)ccc2n1 ZINC001243581075 823453430 /nfs/dbraw/zinc/45/34/30/823453430.db2.gz AMDNGMVBGNTVKW-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM [O-]c1cc(-c2ccnc(N3CCCC3)n2)ccc1Cl ZINC001243575998 823451011 /nfs/dbraw/zinc/45/10/11/823451011.db2.gz DDNZTOHODMSBNA-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM O=C1Cc2c(cccc2-c2ccc(Cl)c([O-])c2)N1 ZINC001243577841 823452023 /nfs/dbraw/zinc/45/20/23/823452023.db2.gz GSJJHLIRFOOHSN-UHFFFAOYSA-N -1 1 259.692 3.207 20 0 CGADMM COc1nc(C)nc(-c2ccc(Cl)c([O-])c2)c1C ZINC001243579139 823452921 /nfs/dbraw/zinc/45/29/21/823452921.db2.gz PNDTVQBELHZWQM-UHFFFAOYSA-N -1 1 264.712 3.128 20 0 CGADMM CCOC(=O)c1cc(-c2ccc(Cl)c([O-])c2)ccn1 ZINC001243581209 823454253 /nfs/dbraw/zinc/45/42/53/823454253.db2.gz MLRDGEDGXUTSOI-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM Cc1c(-c2ccc(Cl)c([O-])c2)ccc2c1NC(=O)CO2 ZINC001243581949 823454360 /nfs/dbraw/zinc/45/43/60/823454360.db2.gz OFFKNQFEUIJILM-UHFFFAOYSA-N -1 1 289.718 3.352 20 0 CGADMM Cc1cc(-c2ccc(Cl)c([O-])c2)ccc1C(N)=O ZINC001243583484 823455016 /nfs/dbraw/zinc/45/50/16/823455016.db2.gz PFHCCKNCJIWHHA-UHFFFAOYSA-N -1 1 261.708 3.120 20 0 CGADMM Cc1cc(C(N)=O)ccc1-c1ccc(Cl)c([O-])c1 ZINC001243582994 823455070 /nfs/dbraw/zinc/45/50/70/823455070.db2.gz GRCCUMYEMZZKKC-UHFFFAOYSA-N -1 1 261.708 3.120 20 0 CGADMM Nc1noc2cc(-c3ccc(Cl)c([O-])c3)ccc12 ZINC001243584421 823455370 /nfs/dbraw/zinc/45/53/70/823455370.db2.gz RKIDYQUFHBSUQI-UHFFFAOYSA-N -1 1 260.680 3.436 20 0 CGADMM COCCOc1ccc(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243584909 823456055 /nfs/dbraw/zinc/45/60/55/823456055.db2.gz ZFAISXWXXPRSFH-UHFFFAOYSA-N -1 1 279.723 3.133 20 0 CGADMM O=c1c(-c2ccc(Cl)c([O-])c2)cccn1CC1CC1 ZINC001243584670 823456221 /nfs/dbraw/zinc/45/62/21/823456221.db2.gz VRSXBBQYLXICNZ-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM Cc1nc(-c2ccc(C(F)(F)F)cc2[O-])nc2nc[nH]c21 ZINC001243609903 823466308 /nfs/dbraw/zinc/46/63/08/823466308.db2.gz XDDBWEATIQMIDD-UHFFFAOYSA-N -1 1 294.236 3.004 20 0 CGADMM CCOc1cc(-c2cc(F)ccc2[O-])nc(SC)n1 ZINC001240693364 821248840 /nfs/dbraw/zinc/24/88/40/821248840.db2.gz PEDMRAIOLUWCLA-UHFFFAOYSA-N -1 1 280.324 3.109 20 0 CGADMM CC(C)(C)NC(=O)c1cccnc1-c1cc(F)ccc1[O-] ZINC001240693858 821249044 /nfs/dbraw/zinc/24/90/44/821249044.db2.gz JWXKCQYODSWEPC-UHFFFAOYSA-N -1 1 288.322 3.122 20 0 CGADMM Cc1nc2ccccc2c(-c2cc(F)ccc2[O-])n1 ZINC001240693263 821250019 /nfs/dbraw/zinc/25/00/19/821250019.db2.gz JZHCXIYBSUZZTF-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM Cc1cc(-c2cc(F)ccc2[O-])nc(C(F)(F)F)n1 ZINC001240694830 821251057 /nfs/dbraw/zinc/25/10/57/821251057.db2.gz XPSVGZSURLQCBI-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(C2CC2)nc2[nH]ccc21 ZINC001240696566 821251930 /nfs/dbraw/zinc/25/19/30/821251930.db2.gz RTPWEWYKEDQYOD-UHFFFAOYSA-N -1 1 269.279 3.299 20 0 CGADMM [O-]c1ccc(F)cc1-c1ncccc1C1CCOCC1 ZINC001240696201 821252027 /nfs/dbraw/zinc/25/20/27/821252027.db2.gz GUJNJKQNXODHSI-UHFFFAOYSA-N -1 1 273.307 3.487 20 0 CGADMM COC(=O)c1ccc(OC)c(-c2ccc([O-])c(F)c2)c1F ZINC001240786056 821324303 /nfs/dbraw/zinc/32/43/03/821324303.db2.gz JPNDJGHIXNKSDO-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM Cc1c2[nH]cnc2ccc1-c1ccc(C(=O)[O-])s1 ZINC001240848679 821370238 /nfs/dbraw/zinc/37/02/38/821370238.db2.gz VYSDEHPDRWKKDD-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM CCCCc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1 ZINC001241054606 821525384 /nfs/dbraw/zinc/52/53/84/821525384.db2.gz XNFSIRWHRPJDMN-UHFFFAOYSA-N -1 1 290.299 3.499 20 0 CGADMM CCCCc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1 ZINC001241054606 821525388 /nfs/dbraw/zinc/52/53/88/821525388.db2.gz XNFSIRWHRPJDMN-UHFFFAOYSA-N -1 1 290.299 3.499 20 0 CGADMM CC(C)c1ccc(-c2c(F)cc([O-])cc2F)nn1 ZINC001241117469 821571975 /nfs/dbraw/zinc/57/19/75/821571975.db2.gz PUPGEGBSQSIFMW-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM CC1(C)OC(=O)c2c1ccnc2-c1c(F)cc([O-])cc1F ZINC001241117791 821572781 /nfs/dbraw/zinc/57/27/81/821572781.db2.gz YLFVRRTUPROJKM-UHFFFAOYSA-N -1 1 291.253 3.138 20 0 CGADMM COc1cc(C)cc(-c2c(F)cc([O-])cc2F)n1 ZINC001241119174 821574277 /nfs/dbraw/zinc/57/42/77/821574277.db2.gz YVSCOVRLSVPODY-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COc1c(C)nc(C2CC2)nc1-c1c(F)cc([O-])cc1F ZINC001241118777 821574431 /nfs/dbraw/zinc/57/44/31/821574431.db2.gz GGSRXRQWMYGSMP-UHFFFAOYSA-N -1 1 292.285 3.322 20 0 CGADMM O=c1ccc2cc(-c3c(F)cc([O-])cc3F)ccc2o1 ZINC001241120842 821577052 /nfs/dbraw/zinc/57/70/52/821577052.db2.gz OGYYERMTUCVGLJ-UHFFFAOYSA-N -1 1 274.222 3.444 20 0 CGADMM [O-]c1cc(F)c(-c2cnc3[nH]ccc3c2F)c(F)c1 ZINC001241121051 821577217 /nfs/dbraw/zinc/57/72/17/821577217.db2.gz ZVDVSGHWAFCMOJ-UHFFFAOYSA-N -1 1 264.206 3.304 20 0 CGADMM COc1ccc(F)c(-c2c(F)cc([O-])cc2F)c1 ZINC001241122278 821578750 /nfs/dbraw/zinc/57/87/50/821578750.db2.gz KWHXFLRAIZQUTH-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM Cc1cc(C(N)=O)cc(C)c1-c1c(F)cc([O-])cc1F ZINC001241123190 821580229 /nfs/dbraw/zinc/58/02/29/821580229.db2.gz UOAAOIYWZLABBA-UHFFFAOYSA-N -1 1 277.270 3.053 20 0 CGADMM COc1ccc(-c2c(F)cc([O-])cc2F)c(OC)c1OC ZINC001241124552 821581333 /nfs/dbraw/zinc/58/13/33/821581333.db2.gz IBFCKMFNDIJBPU-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM Nc1cc(C(F)(F)F)cnc1-c1c(F)ccc([O-])c1F ZINC001241290512 821706172 /nfs/dbraw/zinc/70/61/72/821706172.db2.gz UFMDWORXDIVWKT-UHFFFAOYSA-N -1 1 290.191 3.333 20 0 CGADMM CC(C)c1nccc(-c2c(F)ccc([O-])c2F)n1 ZINC001241289088 821706294 /nfs/dbraw/zinc/70/62/94/821706294.db2.gz KERCHTDLERZDPV-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM CCOC(=O)c1cc(C)cc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291201 821707657 /nfs/dbraw/zinc/70/76/57/821707657.db2.gz JARJWZMECHQWKC-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(C(F)(F)F)nn2)c1F ZINC001241290799 821708509 /nfs/dbraw/zinc/70/85/09/821708509.db2.gz FCBOEGJVTHIZHF-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM CC(C)c1cccc(-c2ccc([P@@](=O)([O-])O)cc2)c1 ZINC001241741299 822117593 /nfs/dbraw/zinc/11/75/93/822117593.db2.gz WALRHECIZQOGIB-UHFFFAOYSA-N -1 1 276.272 3.280 20 0 CGADMM CC(C)c1cccc(-c2ccc([P@](=O)([O-])O)cc2)c1 ZINC001241741299 822117599 /nfs/dbraw/zinc/11/75/99/822117599.db2.gz WALRHECIZQOGIB-UHFFFAOYSA-N -1 1 276.272 3.280 20 0 CGADMM [O-]c1ccc(-c2ccnc(F)n2)cc1C(F)(F)F ZINC001242153346 822896694 /nfs/dbraw/zinc/89/66/94/822896694.db2.gz VIEGRLZEIDJBCF-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ncnn2cccc12 ZINC001242141893 822891606 /nfs/dbraw/zinc/89/16/06/822891606.db2.gz XAVCZGBUITVMOK-UHFFFAOYSA-N -1 1 279.221 3.121 20 0 CGADMM CC(C)n1nc(-c2ccc([O-])c(C(F)(F)F)c2)ccc1=O ZINC001242167730 822900880 /nfs/dbraw/zinc/90/08/80/822900880.db2.gz CJNKDTOQGGHYBY-UHFFFAOYSA-N -1 1 298.264 3.216 20 0 CGADMM O=c1c(-c2ccc(F)cc2[O-])cccn1-c1ccccc1F ZINC001242219473 822915493 /nfs/dbraw/zinc/91/54/93/822915493.db2.gz GNGWZNCRQYGADS-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM Cc1cccc(-c2ncc3cc(F)ccc3n2)c1[O-] ZINC001242344464 822957948 /nfs/dbraw/zinc/95/79/48/822957948.db2.gz MSJAVOVRLJKLAV-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM [O-]c1c(F)cccc1-c1cncnc1C(F)(F)F ZINC001242350235 822960762 /nfs/dbraw/zinc/96/07/62/822960762.db2.gz DZKWKGQNMOUWEK-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM COc1ccc2nccc(-c3cccc(F)c3[O-])c2n1 ZINC001242351474 822961438 /nfs/dbraw/zinc/96/14/38/822961438.db2.gz WHFVLEWMRDRQCZ-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM COc1ccc(-c2cccc(F)c2[O-])c(F)c1F ZINC001242351707 822961815 /nfs/dbraw/zinc/96/18/15/822961815.db2.gz PKMHSQGQTJGFFF-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COc1cc(F)c(-c2cccc(F)c2[O-])cc1OC ZINC001242353313 822962468 /nfs/dbraw/zinc/96/24/68/822962468.db2.gz MBXXOGOCMKPTNS-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM O=C1NCCN1c1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242364304 822968036 /nfs/dbraw/zinc/96/80/36/822968036.db2.gz GWKVPFKCAZJNFB-UHFFFAOYSA-N -1 1 288.734 3.242 20 0 CGADMM Cc1c(C(N)=O)cccc1-c1cccc(Cl)c1[O-] ZINC001242366293 822968719 /nfs/dbraw/zinc/96/87/19/822968719.db2.gz IZJAUXREUMVORO-UHFFFAOYSA-N -1 1 261.708 3.120 20 0 CGADMM CS(=O)(=O)Oc1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001242365320 822968913 /nfs/dbraw/zinc/96/89/13/822968913.db2.gz AAERAAURIODHQD-UHFFFAOYSA-N -1 1 298.747 3.051 20 0 CGADMM O=c1ccc(-c2cccc(Cl)c2[O-])cn1-c1cccnc1 ZINC001242366681 822969090 /nfs/dbraw/zinc/96/90/90/822969090.db2.gz BCBJOMVESLRIBE-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM CC(=O)Nc1ncc(-c2cccc(Cl)c2[O-])cc1C ZINC001242367537 822969290 /nfs/dbraw/zinc/96/92/90/822969290.db2.gz PJVWIHFZYHKMTQ-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCC[C@H](F)C1 ZINC001339541211 936376302 /nfs/dbraw/zinc/37/63/02/936376302.db2.gz ZXWLRHWMYDDKJN-YUMQZZPRSA-N -1 1 273.254 3.137 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1ncc(Cl)s1 ZINC001344348738 936530801 /nfs/dbraw/zinc/53/08/01/936530801.db2.gz UPHRIKGSRYESSY-UHFFFAOYSA-N -1 1 289.143 3.408 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1noc2c1CCCCC2 ZINC001347306092 936878813 /nfs/dbraw/zinc/87/88/13/936878813.db2.gz HPXJZLLMMAGHHN-UHFFFAOYSA-N -1 1 289.335 3.307 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC001362658307 937230757 /nfs/dbraw/zinc/23/07/57/937230757.db2.gz PVJAIPQHHHTFPZ-UHFFFAOYSA-N -1 1 299.252 3.003 20 0 CGADMM Cc1cnc(SC[C@@H]2CC3(CO2)CCCCC3)[n-]c1=O ZINC001364281546 937233232 /nfs/dbraw/zinc/23/32/32/937233232.db2.gz HIKMNHKMKWPGTI-LBPRGKRZSA-N -1 1 294.420 3.322 20 0 CGADMM Cc1nc(SC[C@H]2CCCC[C@@H]2O)[n-]c(=O)c1C1CC1 ZINC001421434774 937246911 /nfs/dbraw/zinc/24/69/11/937246911.db2.gz BPHYBLDDTKTTDZ-NEPJUHHUSA-N -1 1 294.420 3.011 20 0 CGADMM O=C(NCCCCc1ccccc1)c1cc(F)ccc1[O-] ZINC001440760988 937333508 /nfs/dbraw/zinc/33/35/08/937333508.db2.gz ZIQXAYAWNBDRAA-UHFFFAOYSA-N -1 1 287.334 3.284 20 0 CGADMM CC(C)CCC[C@H](C)NC(=O)c1cccc([O-])c1F ZINC001440949761 937335298 /nfs/dbraw/zinc/33/52/98/937335298.db2.gz TVGIDXNBTBKDQZ-NSHDSACASA-N -1 1 267.344 3.476 20 0 CGADMM O=C(NC1(c2ccccc2)CCC1)c1ccc(F)c([O-])c1 ZINC001441141401 937336933 /nfs/dbraw/zinc/33/69/33/937336933.db2.gz SIORWRGRPWSDAG-UHFFFAOYSA-N -1 1 285.318 3.341 20 0 CGADMM Cc1cccc(C)c1CNC(=O)c1cc(F)ccc1[O-] ZINC001446585770 937363890 /nfs/dbraw/zinc/36/38/90/937363890.db2.gz VDFHZHNPPXLBRK-UHFFFAOYSA-N -1 1 273.307 3.078 20 0 CGADMM CC(C)C[C@@H](C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001546031179 937390484 /nfs/dbraw/zinc/39/04/84/937390484.db2.gz YPHPXDFLLXNFBQ-LLVKDONJSA-N -1 1 287.359 3.415 20 0 CGADMM Cc1ccc(CNC(=O)c2ccc([O-])cn2)c2ccccc12 ZINC001451528257 937391241 /nfs/dbraw/zinc/39/12/41/937391241.db2.gz KNFSRJRYTRIFJH-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM CCc1ccc(C(=O)Nc2ncccc2SC)c([O-])c1 ZINC001452822757 937398684 /nfs/dbraw/zinc/39/86/84/937398684.db2.gz PQICEGHDOKDCQU-UHFFFAOYSA-N -1 1 288.372 3.324 20 0 CGADMM O=C(CCF)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001453771834 937404858 /nfs/dbraw/zinc/40/48/58/937404858.db2.gz PUFSWWLEYUAHAH-UHFFFAOYSA-N -1 1 267.687 3.497 20 0 CGADMM Cc1ccc2c(c1)CN(C(=O)c1ccc([O-])c(F)c1)CC2 ZINC001452978075 937400048 /nfs/dbraw/zinc/40/00/48/937400048.db2.gz PDRCGFLUXXMPJR-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM C[C@@H]1C[C@H](C)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001455901761 937422681 /nfs/dbraw/zinc/42/26/81/937422681.db2.gz JVELJONGAMNCLM-VXGBXAGGSA-N -1 1 295.810 3.483 20 0 CGADMM CCCC[C@@](C)(F)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001457762191 937445394 /nfs/dbraw/zinc/44/53/94/937445394.db2.gz KRFIEKULWPCWLA-GFCCVEGCSA-N -1 1 274.723 3.298 20 0 CGADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001457762315 937445609 /nfs/dbraw/zinc/44/56/09/937445609.db2.gz LMRFJIYZTGJSDR-KYXWUPHJSA-N -1 1 280.755 3.061 20 0 CGADMM C[C@H]1CC[C@H](Oc2cc([O-])cc3oc(=O)ccc23)CC1 ZINC001229136246 932103565 /nfs/dbraw/zinc/10/35/65/932103565.db2.gz VDEYWFFBBJRRJR-UMSPYCQHSA-N -1 1 274.316 3.456 20 0 CGADMM CC(=O)[C@H](C)Oc1cc([O-])ccc1C(=O)Cc1ccccc1 ZINC001229260313 932124551 /nfs/dbraw/zinc/12/45/51/932124551.db2.gz QIVCFPSAOSHVBR-ZDUSSCGKSA-N -1 1 298.338 3.174 20 0 CGADMM C[C@H](Oc1nc2c(cc(Cl)nc2Cl)[n-]1)C1CC1 ZINC001231044566 932664982 /nfs/dbraw/zinc/66/49/82/932664982.db2.gz KRCHZJAFCLQGBF-YFKPBYRVSA-N -1 1 272.135 3.442 20 0 CGADMM [O-]c1c(F)cc(-c2ccc(N3CCCC3)nc2)cc1F ZINC001244094106 932706974 /nfs/dbraw/zinc/70/69/74/932706974.db2.gz OIKPTIJTOVJHGH-UHFFFAOYSA-N -1 1 276.286 3.333 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCc2ccsc2C1 ZINC001337433419 932837961 /nfs/dbraw/zinc/83/79/61/932837961.db2.gz DYHDOVWJLAPDOC-UHFFFAOYSA-N -1 1 293.775 3.306 20 0 CGADMM O=C(Nc1n[nH]cc1-c1ccccc1)c1ccccc1[O-] ZINC001304746656 932855765 /nfs/dbraw/zinc/85/57/65/932855765.db2.gz GBXZGCQTKBBNKN-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM Cc1cnc(Cl)cc1C(=O)Nc1ccc(F)cc1[O-] ZINC001306800092 932887215 /nfs/dbraw/zinc/88/72/15/932887215.db2.gz VPBPFOJNFIBOBU-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM COc1nscc1CN(C)Cc1cccc([O-])c1Cl ZINC001462602605 937653218 /nfs/dbraw/zinc/65/32/18/937653218.db2.gz IJFWTYQHLQZKIT-UHFFFAOYSA-N -1 1 298.795 3.143 20 0 CGADMM C[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001313237204 933436203 /nfs/dbraw/zinc/43/62/03/933436203.db2.gz SCEWUNOOBLSRLY-MNOVXSKESA-N -1 1 296.798 3.376 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H]2CCC[C@H](C)C2)c1 ZINC001464465662 937691369 /nfs/dbraw/zinc/69/13/69/937691369.db2.gz CZWRUCQWJMQDOU-WCQYABFASA-N -1 1 289.375 3.069 20 0 CGADMM CCCn1ccc2cc(NC(=O)c3ccc([O-])cn3)ccc21 ZINC001464571513 937692858 /nfs/dbraw/zinc/69/28/58/937692858.db2.gz XBTQUAZAHSOWPO-UHFFFAOYSA-N -1 1 295.342 3.404 20 0 CGADMM O=C(N[C@H](CC1CC1)c1ccccc1)c1ncccc1[O-] ZINC001465217924 937698968 /nfs/dbraw/zinc/69/89/68/937698968.db2.gz AISIOWPQUNVFJK-CQSZACIVSA-N -1 1 282.343 3.058 20 0 CGADMM CCC(CC)(CC)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001465242806 937699408 /nfs/dbraw/zinc/69/94/08/937699408.db2.gz QHRHHRNGQFNZST-UHFFFAOYSA-N -1 1 277.364 3.212 20 0 CGADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1ccc(Cl)cn1 ZINC001466939077 937713743 /nfs/dbraw/zinc/71/37/43/937713743.db2.gz FDZMNYKVNJHQEO-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2c([O-])cccc2F)[C@H]1C ZINC001467612684 937719643 /nfs/dbraw/zinc/71/96/43/937719643.db2.gz PSZGBDUNYDJCJS-WOPDTQHZSA-N -1 1 279.355 3.333 20 0 CGADMM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc([O-])cn2)C1 ZINC001467869006 937723101 /nfs/dbraw/zinc/72/31/01/937723101.db2.gz HNMJTAZNAUMCCY-LRDDRELGSA-N -1 1 282.343 3.011 20 0 CGADMM CC[C@@H](NC(=O)c1cc(C)cc(C=O)c1[O-])C1CCCC1 ZINC001468000896 937723746 /nfs/dbraw/zinc/72/37/46/937723746.db2.gz YKNWHQCXDPFQOW-OAHLLOKOSA-N -1 1 289.375 3.212 20 0 CGADMM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC001468927323 937733419 /nfs/dbraw/zinc/73/34/19/937733419.db2.gz HWKIAYVMJFSSED-PWSUYJOCSA-N -1 1 279.355 3.476 20 0 CGADMM CC1(C)CCC[C@H](CNC(=O)c2c([O-])cccc2F)C1 ZINC001469045755 937734815 /nfs/dbraw/zinc/73/48/15/937734815.db2.gz PJWDLLGXPAHCAV-NSHDSACASA-N -1 1 279.355 3.478 20 0 CGADMM CCOc1ccc(NC(=O)c2ccccc2[O-])c(F)c1 ZINC001469137727 937735657 /nfs/dbraw/zinc/73/56/57/937735657.db2.gz QACPWMOKWLHQHP-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM CC1(C)CC(CNC(=O)c2ccc([O-])cn2)CC(C)(C)C1 ZINC001469933291 937745792 /nfs/dbraw/zinc/74/57/92/937745792.db2.gz LCOFWFDVOWXHOT-UHFFFAOYSA-N -1 1 290.407 3.370 20 0 CGADMM Cc1cc[nH]c1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001322536644 934313076 /nfs/dbraw/zinc/31/30/76/934313076.db2.gz HHVOOVITDIELNH-UHFFFAOYSA-N -1 1 295.136 3.044 20 0 CGADMM CC(F)(F)c1c(F)cccc1NC(=O)c1ccc([O-])cn1 ZINC001471331930 937764139 /nfs/dbraw/zinc/76/41/39/937764139.db2.gz FTQCQWZBZNHJER-UHFFFAOYSA-N -1 1 296.248 3.290 20 0 CGADMM C[C@H]1CC/C(=C\C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001472042026 937771932 /nfs/dbraw/zinc/77/19/32/937771932.db2.gz YMPVNLKXFGJZJE-VUBLIPMDSA-N -1 1 295.329 3.076 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CC2(C1)CCCC2 ZINC001331012545 935341639 /nfs/dbraw/zinc/34/16/39/935341639.db2.gz FLHLTNYBVDCDQM-UHFFFAOYSA-N -1 1 294.782 3.131 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1C[C@H]1C(F)(F)F ZINC001333557988 935546021 /nfs/dbraw/zinc/54/60/21/935546021.db2.gz IXFJXGXWPNZJCG-RFZPGFLSSA-N -1 1 297.635 3.322 20 0 CGADMM CC[C@](C)(C(=O)[O-])N(Cc1nc(C)sc1C)CC1CC1 ZINC001333572412 935547552 /nfs/dbraw/zinc/54/75/52/935547552.db2.gz ZPAGBCSTJQNZCK-OAHLLOKOSA-N -1 1 296.436 3.225 20 0 CGADMM CC(F)(F)C1(C(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC001334199226 936090939 /nfs/dbraw/zinc/09/09/39/936090939.db2.gz SKGXURMMKSJVEI-UHFFFAOYSA-N -1 1 277.217 3.044 20 0 CGADMM [O-]c1ccc(CNc2cccc3c2OCC3)c(F)c1F ZINC001474628428 937871480 /nfs/dbraw/zinc/87/14/80/937871480.db2.gz FULLXSWSFVEVTN-UHFFFAOYSA-N -1 1 277.270 3.217 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001538540775 938118697 /nfs/dbraw/zinc/11/86/97/938118697.db2.gz DTLKCPNJYSFGQB-WCQYABFASA-N -1 1 277.339 3.184 20 0 CGADMM Cc1ccc(NC(=O)c2ccc(F)c([O-])c2)c(F)c1 ZINC001539134821 938123064 /nfs/dbraw/zinc/12/30/64/938123064.db2.gz IOXJZOCBAOFZFV-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2ncc3ccccc3c2[O-])[C@H]1C ZINC001540362258 938130545 /nfs/dbraw/zinc/13/05/45/938130545.db2.gz ZTKGZXKSGZLOLT-XUJVJEKNSA-N -1 1 298.386 3.495 20 0 CGADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc([O-])c1F ZINC001540667104 938132904 /nfs/dbraw/zinc/13/29/04/938132904.db2.gz AWZXMXOOQSNOHQ-CMPLNLGQSA-N -1 1 265.328 3.182 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc([O-])cc2F)o1 ZINC001542102927 938135158 /nfs/dbraw/zinc/13/51/58/938135158.db2.gz VNGIWPFDHHOVEC-ZANVPECISA-N -1 1 289.306 3.178 20 0 CGADMM CC1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCCC1 ZINC001542335128 938135755 /nfs/dbraw/zinc/13/57/55/938135755.db2.gz SXWMAJSSUBKUHT-UHFFFAOYSA-N -1 1 287.281 3.474 20 0 CGADMM O=C(Nc1nc2c(s1)CCCC2)c1cccc([O-])c1F ZINC001543375791 938139055 /nfs/dbraw/zinc/13/90/55/938139055.db2.gz LSQQGWFKEZFMBO-UHFFFAOYSA-N -1 1 292.335 3.119 20 0 CGADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cccc([O-])c1F ZINC001543738756 938141352 /nfs/dbraw/zinc/14/13/52/938141352.db2.gz ZRLFZGVSTRSWHP-CQSZACIVSA-N -1 1 285.318 3.257 20 0 CGADMM CCC[C@@H]1SCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001543815962 938141725 /nfs/dbraw/zinc/14/17/25/938141725.db2.gz DUKPCDHJLMQASW-AWEZNQCLSA-N -1 1 299.823 3.290 20 0 CGADMM CCc1cc(O)ccc1NC(=O)c1c(F)ccc([O-])c1F ZINC001556187385 938202417 /nfs/dbraw/zinc/20/24/17/938202417.db2.gz ZSWCGPVKGIKWLW-UHFFFAOYSA-N -1 1 293.269 3.191 20 0 CGADMM CC[C@H](C)c1ncc(NC(=O)c2ccc([O-])c(F)c2)cn1 ZINC001556352608 938203211 /nfs/dbraw/zinc/20/32/11/938203211.db2.gz SZLYBFWLCPHDOP-VIFPVBQESA-N -1 1 289.310 3.087 20 0 CGADMM Cc1cnc(C(=O)NCC(C2CCC2)C2CCC2)c([O-])c1 ZINC001557642527 938211392 /nfs/dbraw/zinc/21/13/92/938211392.db2.gz WHZXJHKCUISHCF-UHFFFAOYSA-N -1 1 288.391 3.042 20 0 CGADMM C[C@H](NC(=O)c1cccc([O-])c1F)[C@]12C[C@H]1CCCC2 ZINC001557927985 938212471 /nfs/dbraw/zinc/21/24/71/938212471.db2.gz WVZKSJZXHPEYAG-USBNGQNGSA-N -1 1 277.339 3.230 20 0 CGADMM CCC1(CC)CCCN1C(=O)c1cccc([O-])c1F ZINC001558213592 938214162 /nfs/dbraw/zinc/21/41/62/938214162.db2.gz DLFHRPPIRICKPE-UHFFFAOYSA-N -1 1 265.328 3.326 20 0 CGADMM O=C(Nc1ccc(C(F)F)cc1)C(=O)c1ccc([O-])cc1 ZINC001558614277 938216770 /nfs/dbraw/zinc/21/67/70/938216770.db2.gz GQWQBEAXYAFJDN-UHFFFAOYSA-N -1 1 291.253 3.151 20 0 CGADMM CCC[C@@](C)(NC(=O)c1ncccc1[O-])c1ccccc1 ZINC001558779929 938217786 /nfs/dbraw/zinc/21/77/86/938217786.db2.gz BQYJHXCKUCAVCL-QGZVFWFLSA-N -1 1 284.359 3.233 20 0 CGADMM Cc1ccc(C)c(Oc2cc(Cl)nc(=O)[n-]2)c1 ZINC001559052146 938219461 /nfs/dbraw/zinc/21/94/61/938219461.db2.gz IEFLLFCBCQIYSE-UHFFFAOYSA-N -1 1 250.685 3.245 20 0 CGADMM CC1(C)C([N-]S(=O)(=O)c2cc3ccccc3o2)C1(C)C ZINC001561345460 938294207 /nfs/dbraw/zinc/29/42/07/938294207.db2.gz NLRWDACMHSASLO-UHFFFAOYSA-N -1 1 293.388 3.146 20 0 CGADMM Cc1cccc(CNCc2cccc(C(=O)[O-])c2)c1F ZINC001594403227 958865848 /nfs/dbraw/zinc/86/58/48/958865848.db2.gz HBAYLXYIYVFASV-UHFFFAOYSA-N -1 1 273.307 3.122 20 0 CGADMM CCOc1ccc2nc(SC/C(C)=C\C(=O)[O-])[nH]c2c1 ZINC000212721880 959715119 /nfs/dbraw/zinc/71/51/19/959715119.db2.gz XMBRSKFVAUEMCE-TWGQIWQCSA-N -1 1 292.360 3.085 20 0 CGADMM Cc1noc(C)c1[C@@H](C)NCc1cc(C(=O)[O-])sc1C ZINC000235192572 960395699 /nfs/dbraw/zinc/39/56/99/960395699.db2.gz WDPRULKEYSMGLS-SSDOTTSWSA-N -1 1 294.376 3.210 20 0 CGADMM Cc1ccc([C@H](C)NCc2occc2C(=O)[O-])cc1 ZINC000235517807 960448561 /nfs/dbraw/zinc/44/85/61/960448561.db2.gz CNRYJVAOFITWTK-NSHDSACASA-N -1 1 259.305 3.137 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(F)c([O-])c2)CC1(C)C ZINC001567393513 960593738 /nfs/dbraw/zinc/59/37/38/960593738.db2.gz VICFMYLOTHCTCU-SNVBAGLBSA-N -1 1 265.328 3.040 20 0 CGADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC001565660365 960798764 /nfs/dbraw/zinc/79/87/64/960798764.db2.gz VDMDFHWEZWURLR-NEPJUHHUSA-N -1 1 279.355 3.476 20 0 CGADMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cccc([O-])c1F ZINC001566146758 960895425 /nfs/dbraw/zinc/89/54/25/960895425.db2.gz DWQPINCGLZVNFS-OLZOCXBDSA-N -1 1 277.339 3.230 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(C2CCC2)C2CCC2)c1 ZINC001569885628 961859676 /nfs/dbraw/zinc/85/96/76/961859676.db2.gz XLWAEBZSZXNQBS-UHFFFAOYSA-N -1 1 287.359 3.060 20 0 CGADMM CCc1ccc(C(=O)Nc2cc([C@H]3C[C@H]3C)[nH]n2)c([O-])c1 ZINC001570719345 962055214 /nfs/dbraw/zinc/05/52/14/962055214.db2.gz UEDDPEUKEZOGSA-SKDRFNHKSA-N -1 1 285.347 3.053 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])cn1)c1cc(C)ccc1C ZINC001587393209 962764024 /nfs/dbraw/zinc/76/40/24/962764024.db2.gz CGMNJVXRRJBYON-OAHLLOKOSA-N -1 1 284.359 3.285 20 0 CGADMM CC(C)[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1ccccn1 ZINC001586268721 963087772 /nfs/dbraw/zinc/08/77/72/963087772.db2.gz XNDCNACHPFIJIS-OAHLLOKOSA-N -1 1 288.322 3.053 20 0 CGADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)c([O-])c1 ZINC001586712010 963127566 /nfs/dbraw/zinc/12/75/66/963127566.db2.gz KYZBSNNVDBGGBW-SUNKGSAMSA-N -1 1 277.339 3.325 20 0 CGADMM Cc1ccccc1CN(C)C(=O)c1ccc(F)c([O-])c1 ZINC001586801342 963139278 /nfs/dbraw/zinc/13/92/78/963139278.db2.gz FDGDFZUIYLANEV-UHFFFAOYSA-N -1 1 273.307 3.112 20 0 CGADMM CCc1ncoc1C(=O)[N-]c1cccc(F)c1SC ZINC001587163404 963174598 /nfs/dbraw/zinc/17/45/98/963174598.db2.gz KNGOYSIUARWHIB-UHFFFAOYSA-N -1 1 280.324 3.350 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cn1)c1c(F)cccc1Cl ZINC001587646734 963207270 /nfs/dbraw/zinc/20/72/70/963207270.db2.gz FTQWPJMFYJXMPP-QMMMGPOBSA-N -1 1 294.713 3.071 20 0 CGADMM CC(C)(C)[C@H](CC(=O)[O-])[NH2+]Cc1cccc([O-])c1Cl ZINC001589710267 964016149 /nfs/dbraw/zinc/01/61/49/964016149.db2.gz KSYWEVFJBUGSPQ-NSHDSACASA-N -1 1 285.771 3.025 20 0 CGADMM CC(C)c1[nH]c(CN[C@@H](C)c2cncs2)cc1C(=O)[O-] ZINC001591916117 976362488 /nfs/dbraw/zinc/36/24/88/976362488.db2.gz IVCOZWUHOQHUGB-VIFPVBQESA-N -1 1 293.392 3.144 20 0 CGADMM CC(F)(F)CN[C@H]1CCC[C@@H](CCCC(=O)[O-])C1 ZINC001592944271 980020329 /nfs/dbraw/zinc/02/03/29/980020329.db2.gz WKRLOLWTEGMJOD-QWRGUYRKSA-N -1 1 263.328 3.045 20 0 CGADMM CCC1(CC)CCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595375085 980891068 /nfs/dbraw/zinc/89/10/68/980891068.db2.gz PRYXEZSKPKOSHJ-JTQLQIEISA-N -1 1 282.409 3.414 20 0 CGADMM CC/C=C/CN[C@@H](C(=O)[O-])c1ccccc1Br ZINC001595521356 981340114 /nfs/dbraw/zinc/34/01/14/981340114.db2.gz ULKQVPGEWZWTPB-MJRJWQSSSA-N -1 1 298.180 3.131 20 0 CGADMM CCC[C@H](NCc1cc(C(=O)[O-])c(C)[nH]1)c1ccccn1 ZINC001595601162 981586677 /nfs/dbraw/zinc/58/66/77/981586677.db2.gz VUYXVPGNDXZEMH-AWEZNQCLSA-N -1 1 287.363 3.047 20 0 CGADMM Cc1[nH]c(CN[C@@H](c2ccccn2)C2CCC2)cc1C(=O)[O-] ZINC001599964732 985879268 /nfs/dbraw/zinc/87/92/68/985879268.db2.gz TVFXCECRTVPSLZ-MRXNPFEDSA-N -1 1 299.374 3.047 20 0 CGADMM CC[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccccc1F ZINC001597291809 987382452 /nfs/dbraw/zinc/38/24/52/987382452.db2.gz ZITZHJSXXOHJIT-HUUCEWRRSA-N -1 1 288.322 3.087 20 0 CGADMM CCc1ccc(C)nc1N[C@@H]1CC[C@H](CC(=O)[O-])[C@H]1C ZINC001597514364 988119816 /nfs/dbraw/zinc/11/98/16/988119816.db2.gz LWJMWUHUTCPTHH-MRVWCRGKSA-N -1 1 276.380 3.254 20 0 CGADMM C[C@H](NCc1ccsc1)c1ccccc1OCC(=O)[O-] ZINC001593310034 994770818 /nfs/dbraw/zinc/77/08/18/994770818.db2.gz FLJJBECFDMPRMT-NSHDSACASA-N -1 1 291.372 3.062 20 0 CGADMM C[C@H](c1cccc(O)c1)N(C)Cc1csc(C(=O)[O-])c1 ZINC001593704082 996183047 /nfs/dbraw/zinc/18/30/47/996183047.db2.gz ZFFLSLNXFRTAJY-SNVBAGLBSA-N -1 1 291.372 3.345 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](C)C2(CCC2)C1 ZINC001593731707 996304179 /nfs/dbraw/zinc/30/41/79/996304179.db2.gz HYAKKVLNAGXPLS-MNOVXSKESA-N -1 1 294.420 3.414 20 0 CGADMM COc1ccc([C@@H](C)N[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001599510647 997292648 /nfs/dbraw/zinc/29/26/48/997292648.db2.gz SMCVURNWVIALBF-MNOVXSKESA-N -1 1 289.331 3.398 20 0 CGADMM CC1=C(c2ccco2)CN(Cc2cncc(C(=O)[O-])c2)CC1 ZINC001594109967 998201379 /nfs/dbraw/zinc/20/13/79/998201379.db2.gz OZXJPBDVMOCMIN-UHFFFAOYSA-N -1 1 298.342 3.052 20 0 CGADMM C[C@@H]1C[C@H](N[C@@H](CCC(=O)[O-])c2ccccc2)c2nccn21 ZINC001594261750 999011981 /nfs/dbraw/zinc/01/19/81/999011981.db2.gz QMBRBLHRADLKCO-SNPRPXQTSA-N -1 1 299.374 3.085 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2cncc(Cl)c2)[n-]1 ZINC000621995107 349619283 /nfs/dbraw/zinc/61/92/83/349619283.db2.gz UTDONPSYWSRYMX-UHFFFAOYSA-N -1 1 293.779 3.400 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H](C)CCCC(F)(F)F)s[n-]1 ZINC000337943441 214323085 /nfs/dbraw/zinc/32/30/85/214323085.db2.gz DTKMOMDZRDANJX-HTQZYQBOSA-N -1 1 297.346 3.200 20 0 CGADMM CC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(C)cc1 ZINC000436859879 529468160 /nfs/dbraw/zinc/46/81/60/529468160.db2.gz MNKRLURHRBNVLC-INIZCTEOSA-N -1 1 297.354 3.151 20 0 CGADMM C/C(=C/c1ccccc1Cl)C(=O)[N-]O[C@H]1CCCCO1 ZINC000125879627 187203841 /nfs/dbraw/zinc/20/38/41/187203841.db2.gz UJKFPRNPOHTYHW-BMSUMIBZSA-N -1 1 295.766 3.318 20 0 CGADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1cscn1 ZINC000622748863 349699040 /nfs/dbraw/zinc/69/90/40/349699040.db2.gz MZJBUFOHIVBPKY-SNVBAGLBSA-N -1 1 298.367 3.493 20 0 CGADMM CCc1cc(NC(=O)c2ccc3ccccc3c2[O-])n(C)n1 ZINC000436545694 529552146 /nfs/dbraw/zinc/55/21/46/529552146.db2.gz SFWSSRSBXWYQPB-UHFFFAOYSA-N -1 1 295.342 3.094 20 0 CGADMM CCCOc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000350830751 219065510 /nfs/dbraw/zinc/06/55/10/219065510.db2.gz LKSDQQKMFWNQCJ-UHFFFAOYSA-N -1 1 297.401 3.338 20 0 CGADMM CCc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)cc1 ZINC000426781325 529655557 /nfs/dbraw/zinc/65/55/57/529655557.db2.gz BGKKBVRJCRURPH-HNNXBMFYSA-N -1 1 287.359 3.456 20 0 CGADMM CN(Cc1ccoc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436763544 530012602 /nfs/dbraw/zinc/01/26/02/530012602.db2.gz KYWWBZBHKNNFPX-UHFFFAOYSA-N -1 1 299.248 3.276 20 0 CGADMM C[C@H](c1cccs1)N(C)Cc1occc1C(=O)[O-] ZINC000042326300 344981749 /nfs/dbraw/zinc/98/17/49/344981749.db2.gz NFOQFTIQRJPLAY-SECBINFHSA-N -1 1 265.334 3.232 20 0 CGADMM O=C([N-]c1cnoc1)c1csc(-c2ccccc2)n1 ZINC000623942027 349922827 /nfs/dbraw/zinc/92/28/27/349922827.db2.gz RDWBLUOWEHLWIL-UHFFFAOYSA-N -1 1 271.301 3.050 20 0 CGADMM CCO[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000067519466 345324236 /nfs/dbraw/zinc/32/42/36/345324236.db2.gz OFVSQVAGSJMDQD-OAHLLOKOSA-N -1 1 299.370 3.187 20 0 CGADMM O=C(NC[C@H]1CCCCS1)c1ccc(Cl)cc1[O-] ZINC000158287791 232235857 /nfs/dbraw/zinc/23/58/57/232235857.db2.gz AHJCPLIBMPRKJL-SNVBAGLBSA-N -1 1 285.796 3.061 20 0 CGADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1cccnc1 ZINC000172176017 232271873 /nfs/dbraw/zinc/27/18/73/232271873.db2.gz XPVDZVRAHHAGKH-LBPRGKRZSA-N -1 1 292.338 3.431 20 0 CGADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174659476 232304549 /nfs/dbraw/zinc/30/45/49/232304549.db2.gz LWHCSZKAJMYZNO-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174651474 232304956 /nfs/dbraw/zinc/30/49/56/232304956.db2.gz WSHOHIPEFOILFH-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=C([O-])[C@@H](NCc1ccccc1Cl)c1cccc(F)c1 ZINC000211536616 346286077 /nfs/dbraw/zinc/28/60/77/346286077.db2.gz KJLIVCOQYWIRJN-AWEZNQCLSA-N -1 1 293.725 3.395 20 0 CGADMM CC1(CNC(=O)c2c([O-])cccc2F)CCCCC1 ZINC000232906993 346329004 /nfs/dbraw/zinc/32/90/04/346329004.db2.gz ODWCICHNKFXGFV-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM CCC1(CNC(=O)c2c([O-])cccc2F)CCCC1 ZINC000232924602 346329074 /nfs/dbraw/zinc/32/90/74/346329074.db2.gz KNANAJUWUYERFE-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM O=C(NCC1CCCCCC1)c1cc(F)ccc1[O-] ZINC000389566175 346573009 /nfs/dbraw/zinc/57/30/09/346573009.db2.gz ZATMZZJXESBZBX-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM COc1ccc(NCc2cccc([O-])c2Cl)c(C)n1 ZINC000339318214 215092952 /nfs/dbraw/zinc/09/29/52/215092952.db2.gz BSKPWPPASKOJSR-UHFFFAOYSA-N -1 1 278.739 3.370 20 0 CGADMM O=c1cc(C(F)(F)F)nc(S[C@H]2C=CCCC2)[n-]1 ZINC000605447845 348155994 /nfs/dbraw/zinc/15/59/94/348155994.db2.gz RMWVAUYUOIQPIY-ZETCQYMHSA-N -1 1 276.283 3.402 20 0 CGADMM CC(C)Cc1nc(C(=O)Nc2c([O-])cccc2F)cs1 ZINC000608367493 348302468 /nfs/dbraw/zinc/30/24/68/348302468.db2.gz SCKSVVCFRORVQD-UHFFFAOYSA-N -1 1 294.351 3.439 20 0 CGADMM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000612760409 348544698 /nfs/dbraw/zinc/54/46/98/348544698.db2.gz VMNKFZCNVKRHJE-BXKDBHETSA-N -1 1 283.755 3.188 20 0 CGADMM O=c1c2c([n-]n1CCc1ccccc1)CCCCC2 ZINC000614190074 348657408 /nfs/dbraw/zinc/65/74/08/348657408.db2.gz RIFSVMPGMMTUIY-CQSZACIVSA-N -1 1 256.349 3.008 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000616452642 348820819 /nfs/dbraw/zinc/82/08/19/348820819.db2.gz CHWCYRUTDDYBFZ-WFASDCNBSA-N -1 1 296.370 3.345 20 0 CGADMM CN(CCC(C)(C)C)C(=O)c1ncc2ccccc2c1[O-] ZINC000616473525 348823893 /nfs/dbraw/zinc/82/38/93/348823893.db2.gz WGYIQWIXRLDVOE-UHFFFAOYSA-N -1 1 286.375 3.449 20 0 CGADMM O=C(N[C@]12C[C@H]1CCC2)c1ccc(C(F)(F)F)c([O-])c1 ZINC000617213793 348935599 /nfs/dbraw/zinc/93/55/99/348935599.db2.gz LYROGONPGQFFLC-NOZJJQNGSA-N -1 1 285.265 3.083 20 0 CGADMM CCc1nn(C)cc1[N-]c1nc2cc(F)ccc2o1 ZINC000358459327 233135878 /nfs/dbraw/zinc/13/58/78/233135878.db2.gz UEDCASHWUFMPRO-UHFFFAOYSA-N -1 1 260.272 3.006 20 0 CGADMM O=C(c1ncccc1[O-])N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000617919892 349024525 /nfs/dbraw/zinc/02/45/25/349024525.db2.gz SZVLHKUCSLAXBI-HNNXBMFYSA-N -1 1 298.342 3.138 20 0 CGADMM CC[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000618871939 349171768 /nfs/dbraw/zinc/17/17/68/349171768.db2.gz QWNAGKGAWWFZNI-LLVKDONJSA-N -1 1 287.281 3.329 20 0 CGADMM C[C@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)C(F)(F)F ZINC000624577340 350066589 /nfs/dbraw/zinc/06/65/89/350066589.db2.gz XQKMJQMREUCCHM-ZCFIWIBFSA-N -1 1 290.216 3.322 20 0 CGADMM Oc1ccc(Cl)c(CN2CCC(n3ccnc3)CC2)c1 ZINC000625215669 350141690 /nfs/dbraw/zinc/14/16/90/350141690.db2.gz GAZAPKUSPHZUND-UHFFFAOYSA-N -1 1 291.782 3.079 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCC1(F)F ZINC000290971789 197874647 /nfs/dbraw/zinc/87/46/47/197874647.db2.gz QVWQOZWNQNOVBZ-QMMMGPOBSA-N -1 1 289.709 3.163 20 0 CGADMM CCCCCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629372350 350681545 /nfs/dbraw/zinc/68/15/45/350681545.db2.gz BNGFOGHHCOYABB-UHFFFAOYSA-N -1 1 273.336 3.097 20 0 CGADMM C/C=C/C[C@H]1CCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000629375538 350683253 /nfs/dbraw/zinc/68/32/53/350683253.db2.gz HYSOINAYBDIGOM-VUDBWIFFSA-N -1 1 280.393 3.020 20 0 CGADMM C[C@@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CCCC1 ZINC000629376515 350683529 /nfs/dbraw/zinc/68/35/29/350683529.db2.gz XIFJAGHCYRXBQE-GFCCVEGCSA-N -1 1 299.374 3.343 20 0 CGADMM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000629378879 350684811 /nfs/dbraw/zinc/68/48/11/350684811.db2.gz XQDYVYNNWWNNGN-QWHCGFSZSA-N -1 1 299.374 3.343 20 0 CGADMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC000630636522 350865706 /nfs/dbraw/zinc/86/57/06/350865706.db2.gz ORTDQYRMRNNMKC-UHFFFAOYSA-N -1 1 281.783 3.379 20 0 CGADMM CN(CC1CCCC1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630854077 350900016 /nfs/dbraw/zinc/90/00/16/350900016.db2.gz YCFLOLVLWVWSFT-UHFFFAOYSA-N -1 1 281.783 3.237 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630923700 350910644 /nfs/dbraw/zinc/91/06/44/350910644.db2.gz IZYKNVRVCBDMCX-GHMZBOCLSA-N -1 1 281.783 3.378 20 0 CGADMM Cc1nc(SC[C@H]2CC[C@@H](C)O2)[n-]c(=O)c1C1CC1 ZINC000631022864 350926632 /nfs/dbraw/zinc/92/66/32/350926632.db2.gz BLWKGNFQVUBAGW-LDYMZIIASA-N -1 1 280.393 3.028 20 0 CGADMM Cc1nc(SC2CCCC2)[n-]c(=O)c1C1CC1 ZINC000631023919 350927932 /nfs/dbraw/zinc/92/79/32/350927932.db2.gz HQCMMMCWLCPXOM-UHFFFAOYSA-N -1 1 250.367 3.403 20 0 CGADMM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632094174 351167290 /nfs/dbraw/zinc/16/72/90/351167290.db2.gz OSWUZOHDURFWLE-BDAKNGLRSA-N -1 1 293.335 3.074 20 0 CGADMM C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C[C@@H]1C ZINC000632229252 351181466 /nfs/dbraw/zinc/18/14/66/351181466.db2.gz XKWXVFFSAWOFLO-MNOVXSKESA-N -1 1 281.783 3.093 20 0 CGADMM C[C@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C[C@H]1C ZINC000632229254 351181500 /nfs/dbraw/zinc/18/15/00/351181500.db2.gz XKWXVFFSAWOFLO-WDEREUQCSA-N -1 1 281.783 3.093 20 0 CGADMM CC[C@H]1CCC[C@@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631759573 351138455 /nfs/dbraw/zinc/13/84/55/351138455.db2.gz CCHBEWIYQOSCHJ-AAEUAGOBSA-N -1 1 281.783 3.283 20 0 CGADMM CCN(C(=O)Cc1ccc([O-])c(Cl)c1)[C@H](C)C(C)C ZINC000633132255 351245678 /nfs/dbraw/zinc/24/56/78/351245678.db2.gz KHZLZUFBEXULDL-LLVKDONJSA-N -1 1 283.799 3.481 20 0 CGADMM Cc1ccc(Cn2[n-]c3c(c2=O)C[C@@H](C)CC3)cc1 ZINC000634589242 351527253 /nfs/dbraw/zinc/52/72/53/351527253.db2.gz SJYNTUDQZMJWHG-JSGCOSHPSA-N -1 1 256.349 3.129 20 0 CGADMM Cc1[n-]n(-c2ccc(F)c(Cl)c2)c(=O)c1C1CC1 ZINC000634596329 351532035 /nfs/dbraw/zinc/53/20/35/351532035.db2.gz CLAKQHAGLBHGOY-LBPRGKRZSA-N -1 1 266.703 3.228 20 0 CGADMM CCc1c(=O)n(-c2ccc(C)cn2)[n-]c1-c1cccc(C)c1 ZINC000634598792 351535698 /nfs/dbraw/zinc/53/56/98/351535698.db2.gz SHVLOXXALIYANS-HNNXBMFYSA-N -1 1 293.370 3.476 20 0 CGADMM CCCc1cc(=O)n(-c2cc(F)cc(Cl)c2)[n-]1 ZINC000634607508 351540025 /nfs/dbraw/zinc/54/00/25/351540025.db2.gz ZPLABYVIHTYWDL-UHFFFAOYSA-N -1 1 254.692 3.372 20 0 CGADMM CCc1c(C)[n-]n(-c2nc3ccccc3cc2C)c1=O ZINC000634615387 351545114 /nfs/dbraw/zinc/54/51/14/351545114.db2.gz GMJGWIOAUXTLEH-CYBMUJFWSA-N -1 1 267.332 3.292 20 0 CGADMM CCCc1[n-]n(-c2ccc3n[nH]cc3c2)c(=O)c1CC ZINC000634620971 351547041 /nfs/dbraw/zinc/54/70/41/351547041.db2.gz VTLDDRIPYARBSL-GFCCVEGCSA-N -1 1 270.336 3.092 20 0 CGADMM C[C@H](n1[n-]c2c(c1=O)CCCc1ccccc1-2)C(F)(F)F ZINC000634630633 351552865 /nfs/dbraw/zinc/55/28/65/351552865.db2.gz AWWNQMRJVJIIIH-CABZTGNLSA-N -1 1 296.292 3.136 20 0 CGADMM CCCc1c(C)[n-]n([C@@H]2CCc3c2cccc3F)c1=O ZINC000634632514 351554243 /nfs/dbraw/zinc/55/42/43/351554243.db2.gz SYKKHTWCGIJFCN-XHDPSFHLSA-N -1 1 274.339 3.447 20 0 CGADMM CCc1c(=O)n(-c2cccc(C(=O)[O-])c2C)[nH]c1C(C)C ZINC000634633173 351554374 /nfs/dbraw/zinc/55/43/74/351554374.db2.gz MKIJBMGAKPNTRF-NSHDSACASA-N -1 1 288.347 3.078 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000369222782 234362578 /nfs/dbraw/zinc/36/25/78/234362578.db2.gz BMXBWHHZIFXSJO-NWDGAFQWSA-N -1 1 288.734 3.183 20 0 CGADMM COc1ccc(F)cc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000295178349 199388784 /nfs/dbraw/zinc/38/87/84/199388784.db2.gz ICHJKBWSWZSURR-UHFFFAOYSA-N -1 1 285.340 3.034 20 0 CGADMM CCOc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340328496 215540748 /nfs/dbraw/zinc/54/07/48/215540748.db2.gz APBCPSAVWQOOAB-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(F)cc2[O-])CCO1 ZINC000272889393 191961167 /nfs/dbraw/zinc/96/11/67/191961167.db2.gz WONKGDXOJNYAGO-CMPLNLGQSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@H](SCc1ccccc1)C(=O)Nc1ccncc1[O-] ZINC000109890828 138361948 /nfs/dbraw/zinc/36/19/48/138361948.db2.gz AIMDRELASQEQPW-NSHDSACASA-N -1 1 288.372 3.048 20 0 CGADMM O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccccc1[O-] ZINC000129549675 138397299 /nfs/dbraw/zinc/39/72/99/138397299.db2.gz PTDOZOQYRRXBRT-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM C[C@H]1C[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436749439 291117792 /nfs/dbraw/zinc/11/77/92/291117792.db2.gz AXPHTWBGLYPDGO-IUCAKERBSA-N -1 1 287.281 3.282 20 0 CGADMM Cc1cnc(C(=O)N2CCC(CCC(C)C)CC2)c([O-])c1 ZINC000427747406 236344281 /nfs/dbraw/zinc/34/42/81/236344281.db2.gz JUFFNVAFFJKVMW-UHFFFAOYSA-N -1 1 290.407 3.384 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)[C@H]2CCC[C@H]21 ZINC000294722322 199150871 /nfs/dbraw/zinc/15/08/71/199150871.db2.gz LFNHWGPDDHLDQK-OCCSQVGLSA-N -1 1 277.339 3.182 20 0 CGADMM O=C(C[C@H]1C=CCCC1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000429018989 236461585 /nfs/dbraw/zinc/46/15/85/236461585.db2.gz IRLHLVZHDXVJSO-NSHDSACASA-N -1 1 287.388 3.245 20 0 CGADMM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])nn1C(C)C ZINC000336202055 213021418 /nfs/dbraw/zinc/02/14/18/213021418.db2.gz LVYJEMLMGZJUPK-UHFFFAOYSA-N -1 1 293.754 3.384 20 0 CGADMM O=C(N[C@H]1CCc2c1cccc2F)c1cc(F)ccc1[O-] ZINC000436536209 237121823 /nfs/dbraw/zinc/12/18/23/237121823.db2.gz AHPDHOPSLZEPLU-AWEZNQCLSA-N -1 1 289.281 3.088 20 0 CGADMM CO[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436586590 237138637 /nfs/dbraw/zinc/13/86/37/237138637.db2.gz BQZQMNGHPWZVEB-NVXWUHKLSA-N -1 1 299.370 3.233 20 0 CGADMM O=C(Nc1cc(Cl)ccc1O)c1cc(F)ccc1[O-] ZINC000436601164 237140424 /nfs/dbraw/zinc/14/04/24/237140424.db2.gz IBQPITYOIVGVRK-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM CN(C(=O)c1ccc(Br)cc1[O-])[C@H]1CC1(C)C ZINC000436816925 237184996 /nfs/dbraw/zinc/18/49/96/237184996.db2.gz UUFMBUHSYGWGTD-NSHDSACASA-N -1 1 298.180 3.025 20 0 CGADMM Cc1cc([C@@H](C)NC(=O)c2c([O-])cccc2F)ccc1F ZINC000436885492 237202569 /nfs/dbraw/zinc/20/25/69/237202569.db2.gz OPAWOLHAAZYIBM-SNVBAGLBSA-N -1 1 291.297 3.470 20 0 CGADMM Cc1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000182861884 189337485 /nfs/dbraw/zinc/33/74/85/189337485.db2.gz CGAISPSGELYXJL-UHFFFAOYSA-N -1 1 268.725 3.063 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCC(C)(F)F)n1 ZINC000450629344 240007101 /nfs/dbraw/zinc/00/71/01/240007101.db2.gz NYOZAYDSKRIJMH-UHFFFAOYSA-N -1 1 262.325 3.272 20 0 CGADMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC000451104948 240220140 /nfs/dbraw/zinc/22/01/40/240220140.db2.gz BJEHXAWJXUXDOV-SFYZADRCSA-N -1 1 281.830 3.114 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1sccc1F ZINC000335570747 212280027 /nfs/dbraw/zinc/28/00/27/212280027.db2.gz ZOKFHQHBWJOPFA-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM Cc1nc(-c2ccc(N[C@H]3CC[C@H](C)C3)nc2)[n-]c(=O)c1C ZINC000302546783 201477691 /nfs/dbraw/zinc/47/76/91/201477691.db2.gz PGBHRXYCSXNBDH-HZMBPMFUSA-N -1 1 298.390 3.462 20 0 CGADMM CCOc1cc(C[N@@H+](CCOC)C2CC2)cc(Cl)c1O ZINC000459300593 242061429 /nfs/dbraw/zinc/06/14/29/242061429.db2.gz LWGCUJVSZUQXNR-UHFFFAOYSA-N -1 1 299.798 3.055 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2)cc(C)c1F ZINC000460425074 242268644 /nfs/dbraw/zinc/26/86/44/242268644.db2.gz LODTZWBEZFSNLF-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Cc1ccsc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000461112403 242301509 /nfs/dbraw/zinc/30/15/09/242301509.db2.gz NBJPPGBEEGAFSJ-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C)ccc2C)c1 ZINC000121633502 370881514 /nfs/dbraw/zinc/88/15/14/370881514.db2.gz GJYDAUPHCIUREJ-UHFFFAOYSA-N -1 1 298.342 3.220 20 0 CGADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000476280866 243004551 /nfs/dbraw/zinc/00/45/51/243004551.db2.gz WYGJFZOQGCESKK-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(C)cc2C)c([O-])c1 ZINC000019836815 368769894 /nfs/dbraw/zinc/76/98/94/368769894.db2.gz SEHCDCZQEFKGQX-UHFFFAOYSA-N -1 1 271.316 3.270 20 0 CGADMM O=C(/C=C/C1CCCC1)Nc1ccc([O-])c(F)c1F ZINC000493265447 244129004 /nfs/dbraw/zinc/12/90/04/244129004.db2.gz GWOGLUJYWKTRRB-VMPITWQZSA-N -1 1 267.275 3.355 20 0 CGADMM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1cncc([O-])c1 ZINC000109041416 370359245 /nfs/dbraw/zinc/35/92/45/370359245.db2.gz IULPKFUVJGRKJM-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cncc([O-])c1 ZINC000109042710 370360010 /nfs/dbraw/zinc/36/00/10/370360010.db2.gz FCTGPEQDSFGJKL-UHFFFAOYSA-N -1 1 295.298 3.058 20 0 CGADMM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000111776051 370406277 /nfs/dbraw/zinc/40/62/77/370406277.db2.gz VLCHVAYWGRPOCN-KBPBESRZSA-N -1 1 276.380 3.122 20 0 CGADMM CCC[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000111776124 370406304 /nfs/dbraw/zinc/40/63/04/370406304.db2.gz DMEAKFZUSKRFTD-HNNXBMFYSA-N -1 1 270.332 3.058 20 0 CGADMM O=C(c1cncc([O-])c1)N(Cc1ccccc1)CC1CCC1 ZINC000117982656 370604135 /nfs/dbraw/zinc/60/41/35/370604135.db2.gz OHHKASKDFNLQES-UHFFFAOYSA-N -1 1 296.370 3.230 20 0 CGADMM COc1cc(C(=O)N2[C@@H](C)CC[C@@H]2C)cc(Cl)c1[O-] ZINC000135174192 371398706 /nfs/dbraw/zinc/39/87/06/371398706.db2.gz UMXBGUSXPWWGDL-IUCAKERBSA-N -1 1 283.755 3.067 20 0 CGADMM O=C(N[C@H]1CCCc2sccc21)c1ccc([O-])cc1F ZINC000137413071 371498102 /nfs/dbraw/zinc/49/81/02/371498102.db2.gz IWEGOIMHOJHEEO-ZDUSSCGKSA-N -1 1 291.347 3.400 20 0 CGADMM CC[C@@H]1C[C@H](NC(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000421660611 371597445 /nfs/dbraw/zinc/59/74/45/371597445.db2.gz CSQVMXBVRGIGCX-HUUCEWRRSA-N -1 1 299.370 3.233 20 0 CGADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc([O-])cc1F ZINC000154783720 371878797 /nfs/dbraw/zinc/87/87/97/371878797.db2.gz LFZFLENXPRQWFK-YGRLFVJLSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1cc(=O)[n-]c([C@H](C)Oc2ccc3c(c2)CCCC3=O)n1 ZINC000157091708 372006187 /nfs/dbraw/zinc/00/61/87/372006187.db2.gz MZVMVCGKMKOAHR-NSHDSACASA-N -1 1 298.342 3.150 20 0 CGADMM C[C@H](N=c1ccc(N2CCC=C(F)C2)n[n-]1)c1ccccc1 ZINC000425242413 372118617 /nfs/dbraw/zinc/11/86/17/372118617.db2.gz CCACUJFKUSQYTB-ZDUSSCGKSA-N -1 1 298.365 3.135 20 0 CGADMM CCOC1(C)CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000294167874 372602117 /nfs/dbraw/zinc/60/21/17/372602117.db2.gz WITWZRRNBDBQCK-UHFFFAOYSA-N -1 1 297.782 3.077 20 0 CGADMM CCOc1cc(C(=O)[N-]c2nc(C3CCC3)cs2)on1 ZINC000295594889 372842118 /nfs/dbraw/zinc/84/21/18/372842118.db2.gz MSOWYUAGBKPMQD-UHFFFAOYSA-N -1 1 293.348 3.050 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@H](C)[C@H](C)O1 ZINC000438420043 372953509 /nfs/dbraw/zinc/95/35/09/372953509.db2.gz VQKBDVGXRVKLJI-UPJWGTAASA-N -1 1 299.370 3.183 20 0 CGADMM C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)[C@H]1C(=O)[O-] ZINC000300274415 373623641 /nfs/dbraw/zinc/62/36/41/373623641.db2.gz SNPBVDUHMGSCCH-NOZJJQNGSA-N -1 1 285.746 3.164 20 0 CGADMM O=C(Cc1csc2ccccc12)[N-]O[C@H]1CCCCO1 ZINC000299724967 373605616 /nfs/dbraw/zinc/60/56/16/373605616.db2.gz ZUAAQCSQZDLQHE-HNNXBMFYSA-N -1 1 291.372 3.018 20 0 CGADMM CC[C@@]1(C)CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289532381 197392792 /nfs/dbraw/zinc/39/27/92/197392792.db2.gz HSRYEFCRBSYLJE-HNNXBMFYSA-N -1 1 283.318 3.323 20 0 CGADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1ccc([O-])c(Cl)c1 ZINC000450288651 374041560 /nfs/dbraw/zinc/04/15/60/374041560.db2.gz ACBKBTNSCJMJHM-ATZCPNFKSA-N -1 1 265.740 3.420 20 0 CGADMM CCOc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000181855905 374183971 /nfs/dbraw/zinc/18/39/71/374183971.db2.gz NMTPYBSLZOCIGZ-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM [O-]c1ccc(-c2nc(C3Cc4ccccc4C3)no2)c(F)c1 ZINC000318260897 374341397 /nfs/dbraw/zinc/34/13/97/374341397.db2.gz CIHNOHXJDBMMMW-UHFFFAOYSA-N -1 1 296.301 3.464 20 0 CGADMM Cc1cccc([C@H]2CCN(C(=O)c3ncc(C)cc3[O-])C2)c1 ZINC000331170809 374510741 /nfs/dbraw/zinc/51/07/41/374510741.db2.gz FNZITVPTRBRZKW-HNNXBMFYSA-N -1 1 296.370 3.034 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(Cl)c(F)c2)c1=O ZINC000091947036 541970752 /nfs/dbraw/zinc/97/07/52/541970752.db2.gz FTTJYRYAULIRFN-SECBINFHSA-N -1 1 254.692 3.228 20 0 CGADMM CCOc1cc(C(=O)N[C@H]2CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000333973837 374633080 /nfs/dbraw/zinc/63/30/80/374633080.db2.gz KANBJIUMAMTZCF-CABZTGNLSA-N -1 1 297.782 3.363 20 0 CGADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456786297 374624083 /nfs/dbraw/zinc/62/40/83/374624083.db2.gz OJKQULPDJQGQAX-RKDXNWHRSA-N -1 1 269.291 3.435 20 0 CGADMM NC(=O)c1cc(NC(=O)c2ccccc2[O-])ccc1Cl ZINC000334447566 374758395 /nfs/dbraw/zinc/75/83/95/374758395.db2.gz MQBGOKXGGBFNPL-UHFFFAOYSA-N -1 1 290.706 3.181 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CC=CCC1 ZINC000334398131 374715487 /nfs/dbraw/zinc/71/54/87/374715487.db2.gz LTUYCTDGAATWIQ-GFCCVEGCSA-N -1 1 283.331 3.077 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc(F)ccc1Cl ZINC000334602043 374897040 /nfs/dbraw/zinc/89/70/40/374897040.db2.gz IYUKRHOZJPARPF-NXEZZACHSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(F)ccc1Cl ZINC000334602043 374897051 /nfs/dbraw/zinc/89/70/51/374897051.db2.gz IYUKRHOZJPARPF-NXEZZACHSA-N -1 1 285.746 3.164 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H](C)c2ccccc2)n1 ZINC000187583402 375048927 /nfs/dbraw/zinc/04/89/27/375048927.db2.gz VLMRGLNZRYVHFU-VIFPVBQESA-N -1 1 262.334 3.050 20 0 CGADMM CC1(C)CC[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335214840 375234069 /nfs/dbraw/zinc/23/40/69/375234069.db2.gz GQCKSIRKPQYSNB-MRVPVSSYSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(F)cc2Cl)C[C@H]1C(=O)[O-] ZINC000335424072 375281477 /nfs/dbraw/zinc/28/14/77/375281477.db2.gz LWIWDCOXNLDJST-BXKDBHETSA-N -1 1 285.746 3.022 20 0 CGADMM CCOc1cc(C(=O)N2[C@@H](C)C[C@@H]2C)cc(Cl)c1[O-] ZINC000335839794 375472755 /nfs/dbraw/zinc/47/27/55/375472755.db2.gz FFGPGLQJMWHFMU-IUCAKERBSA-N -1 1 283.755 3.067 20 0 CGADMM C[C@H]1C[C@H](C)N1C(=O)c1cc2ccccc2cc1[O-] ZINC000336157524 375734311 /nfs/dbraw/zinc/73/43/11/375734311.db2.gz CTJDTUGPICFRGM-QWRGUYRKSA-N -1 1 255.317 3.168 20 0 CGADMM COc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000336170873 375747136 /nfs/dbraw/zinc/74/71/36/375747136.db2.gz IBBKZKVIFHUAFA-NXEZZACHSA-N -1 1 297.782 3.315 20 0 CGADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])c1cccs1 ZINC000336629663 375891409 /nfs/dbraw/zinc/89/14/09/375891409.db2.gz ZVTPPJNDSFLNHZ-QMMMGPOBSA-N -1 1 265.309 3.335 20 0 CGADMM O=C(N[C@H]1CCCCC12CCCC2)c1cncc([O-])c1 ZINC000336834409 375996598 /nfs/dbraw/zinc/99/65/98/375996598.db2.gz RASBPXOMLHWNQG-AWEZNQCLSA-N -1 1 274.364 3.020 20 0 CGADMM Cc1nc(SCc2cccc(F)c2F)[n-]c(=O)c1C ZINC000538517946 376246601 /nfs/dbraw/zinc/24/66/01/376246601.db2.gz DNUYRQDYLIEXEB-UHFFFAOYSA-N -1 1 282.315 3.370 20 0 CGADMM Cc1cccc(C)c1CC(=O)Nc1ccc(F)cc1[O-] ZINC000540804930 376397635 /nfs/dbraw/zinc/39/76/35/376397635.db2.gz DNXCAWYTCDSKIG-UHFFFAOYSA-N -1 1 273.307 3.329 20 0 CGADMM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2sccc2F)CC1 ZINC000338965760 376606930 /nfs/dbraw/zinc/60/69/30/376606930.db2.gz SACXBRDBUCZLBE-VHSXEESVSA-N -1 1 291.413 3.134 20 0 CGADMM Cc1c(=O)[n-]c(SCc2ccno2)nc1-c1ccccc1 ZINC000545227385 376800444 /nfs/dbraw/zinc/80/04/44/376800444.db2.gz TZKJCTADHHPJDG-UHFFFAOYSA-N -1 1 299.355 3.438 20 0 CGADMM CCSc1ccc(C(=O)Nc2ccc(F)cc2[O-])cn1 ZINC000340326733 377001743 /nfs/dbraw/zinc/00/17/43/377001743.db2.gz BEAZOKVRSQHJGU-UHFFFAOYSA-N -1 1 292.335 3.291 20 0 CGADMM CC(C)CCSCC(=O)Nc1ccc(F)cc1[O-] ZINC000340329472 377005653 /nfs/dbraw/zinc/00/56/53/377005653.db2.gz GODXEAIDZSCADX-UHFFFAOYSA-N -1 1 271.357 3.249 20 0 CGADMM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cc(F)ccc1[O-] ZINC000094074953 249039274 /nfs/dbraw/zinc/03/92/74/249039274.db2.gz JHNHZEBXCBGITG-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C(NCc1ccc(Cl)s1)c1c([O-])cccc1F ZINC000184968572 249056162 /nfs/dbraw/zinc/05/61/62/249056162.db2.gz MFGDPMVTZMKWEW-UHFFFAOYSA-N -1 1 285.727 3.176 20 0 CGADMM CCc1nc(SC2CC(OC(C)C)C2)[n-]c(=O)c1C ZINC000563439163 321998112 /nfs/dbraw/zinc/99/81/12/321998112.db2.gz KVCLTUUDKONLNI-UHFFFAOYSA-N -1 1 282.409 3.101 20 0 CGADMM O=C([O-])c1ccc(-c2nc(CN3CCCCC3)co2)cc1 ZINC000573807845 377579016 /nfs/dbraw/zinc/57/90/16/377579016.db2.gz CJOBYRLMVZDKMA-UHFFFAOYSA-N -1 1 286.331 3.026 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cccc(Cl)c1F ZINC000263455014 377939415 /nfs/dbraw/zinc/93/94/15/377939415.db2.gz APZVZQGYZFAKHI-KOLCDFICSA-N -1 1 285.746 3.164 20 0 CGADMM O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc(Cl)cc1[O-] ZINC000565008387 322054306 /nfs/dbraw/zinc/05/43/06/322054306.db2.gz YDWWZCRDUFGNLG-NXEZZACHSA-N -1 1 271.719 3.056 20 0 CGADMM Cc1ccc2nc(-c3n[nH]c4cc(C(=O)[O-])ccc43)[nH]c2c1 ZINC000345441426 378284218 /nfs/dbraw/zinc/28/42/18/378284218.db2.gz OXQYLBFFKOMKLQ-UHFFFAOYSA-N -1 1 292.298 3.113 20 0 CGADMM C[C@H]1CC[C@H](Sc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000580100232 378225685 /nfs/dbraw/zinc/22/56/85/378225685.db2.gz RVHDZMQEPHVDJN-BQBZGAKWSA-N -1 1 260.309 3.401 20 0 CGADMM C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc([O-])cc1F ZINC000275082661 378935256 /nfs/dbraw/zinc/93/52/56/378935256.db2.gz FQNDCFOXNONVSC-UWVGGRQHSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1ncoc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000349493108 379291978 /nfs/dbraw/zinc/29/19/78/379291978.db2.gz OMBKYCVXWMNRQP-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM CC[C@@H]1CC[C@H](c2nc(-c3ccc([O-])cc3F)no2)O1 ZINC000278263687 379330184 /nfs/dbraw/zinc/33/01/84/379330184.db2.gz UZVNFAMELAIGNL-BXKDBHETSA-N -1 1 278.283 3.211 20 0 CGADMM CC(C)[C@H]1CN(C(=O)c2cncc([O-])c2)c2ccccc21 ZINC000278114677 379295360 /nfs/dbraw/zinc/29/53/60/379295360.db2.gz AIYQCNSNKBOLBY-OAHLLOKOSA-N -1 1 282.343 3.187 20 0 CGADMM [O-]c1ccc(-c2noc(C[C@H]3C=CCC3)n2)cc1F ZINC000278188310 379313557 /nfs/dbraw/zinc/31/35/57/379313557.db2.gz OVOICUIKZUWXBR-VIFPVBQESA-N -1 1 260.268 3.090 20 0 CGADMM Cc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)o1 ZINC000350805653 379587226 /nfs/dbraw/zinc/58/72/26/379587226.db2.gz ONRHCVLCHCAIPJ-UHFFFAOYSA-N -1 1 260.224 3.150 20 0 CGADMM Cc1ncccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350819079 379589886 /nfs/dbraw/zinc/58/98/86/379589886.db2.gz YPALKMBSMIPNEX-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CC(F)(F)C(=O)[N-][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000377404642 379673400 /nfs/dbraw/zinc/67/34/00/379673400.db2.gz ZTKUGOMQMXTQNP-SSDOTTSWSA-N -1 1 296.100 3.198 20 0 CGADMM CC[C@@H](CN=c1nc([C@H](C)OC)[n-]s1)CC(F)(F)F ZINC000402696716 379972119 /nfs/dbraw/zinc/97/21/19/379972119.db2.gz QVMCAWGLRMVFMK-JGVFFNPUSA-N -1 1 297.346 3.058 20 0 CGADMM C[C@H](c1ccc(F)cc1F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405361890 379984531 /nfs/dbraw/zinc/98/45/31/379984531.db2.gz PRHJOBAMMVBLNS-ZWNOBZJWSA-N -1 1 295.329 3.213 20 0 CGADMM CC[C@@H](C)[C@@H](NC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000408514862 380014797 /nfs/dbraw/zinc/01/47/97/380014797.db2.gz SYYQMNPQVFPJON-RDDDGLTNSA-N -1 1 293.260 3.238 20 0 CGADMM c1nc2ccc(CN=c3nc(C4CCCC4)[n-]s3)cc2[nH]1 ZINC000641663020 380040935 /nfs/dbraw/zinc/04/09/35/380040935.db2.gz LSNZWWKZEDURIQ-UHFFFAOYSA-N -1 1 299.403 3.106 20 0 CGADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)[C@@H](C)[C@@H](C)O1 ZINC000353101243 380116780 /nfs/dbraw/zinc/11/67/80/380116780.db2.gz XBFBIZZMMTUVSU-OUAUKWLOSA-N -1 1 269.772 3.043 20 0 CGADMM CCN(CC(C)(C)C)C(=O)c1ccc([O-])c(F)c1 ZINC000643328099 380278232 /nfs/dbraw/zinc/27/82/32/380278232.db2.gz KINZVUFXHXXWHO-UHFFFAOYSA-N -1 1 253.317 3.040 20 0 CGADMM Cc1cnc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000417559438 380638364 /nfs/dbraw/zinc/63/83/64/380638364.db2.gz IEYJCUSBOHLRCN-SMDDNHRTSA-N -1 1 290.388 3.003 20 0 CGADMM [O-]c1cccnc1CN[C@H](CCc1ccccc1)C(F)F ZINC000355318236 380639689 /nfs/dbraw/zinc/63/96/89/380639689.db2.gz QBMSKMUXNGTGOM-CYBMUJFWSA-N -1 1 292.329 3.143 20 0 CGADMM [O-]c1cccc(CNc2cnn(CC3CC3)c2)c1Cl ZINC000645170614 380603002 /nfs/dbraw/zinc/60/30/02/380603002.db2.gz XEMJWDXCINOYNO-UHFFFAOYSA-N -1 1 277.755 3.264 20 0 CGADMM O=C([O-])[C@H](CC1CC1)NCc1ccc(-c2ccccc2)o1 ZINC000417598736 380647234 /nfs/dbraw/zinc/64/72/34/380647234.db2.gz CIORYXGCUMWYAR-HNNXBMFYSA-N -1 1 285.343 3.290 20 0 CGADMM O=C([O-])[C@H]1C[C@@H](NCc2ccc(Cl)o2)c2ccccc21 ZINC000417637567 380659696 /nfs/dbraw/zinc/65/96/96/380659696.db2.gz ZCIUEQJNAKPJCJ-QWHCGFSZSA-N -1 1 291.734 3.336 20 0 CGADMM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cncc([O-])c3)C2)cc1 ZINC000279262701 194357543 /nfs/dbraw/zinc/35/75/43/194357543.db2.gz MLAKMRIPWYQTGF-CZUORRHYSA-N -1 1 296.370 3.114 20 0 CGADMM O=C(NC1(C(F)(F)F)CC1)c1cc2ccccc2cc1[O-] ZINC000229111555 542299703 /nfs/dbraw/zinc/29/97/03/542299703.db2.gz XCRXHGQSLIJRET-UHFFFAOYSA-N -1 1 295.260 3.370 20 0 CGADMM [O-]c1ccc(-c2nc([C@H]3CCCS3)no2)c(F)c1 ZINC000230229221 542303535 /nfs/dbraw/zinc/30/35/35/542303535.db2.gz OJGNOKKGFVDAED-SNVBAGLBSA-N -1 1 266.297 3.149 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccsc1 ZINC000235190284 542311399 /nfs/dbraw/zinc/31/13/99/542311399.db2.gz SJHNVWIPCXHLEW-MRVPVSSYSA-N -1 1 265.309 3.084 20 0 CGADMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc(F)ccc3[O-])C2)C1 ZINC000368079086 382365159 /nfs/dbraw/zinc/36/51/59/382365159.db2.gz NIKMLVVMUGWGCH-BDJLRTHQSA-N -1 1 277.339 3.184 20 0 CGADMM CSc1ccc(CNC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436550749 532956734 /nfs/dbraw/zinc/95/67/34/532956734.db2.gz UEQWBVFMJVELCX-UHFFFAOYSA-N -1 1 291.347 3.183 20 0 CGADMM COc1ccc(S(=O)(=O)[N-]c2ccsc2)c(C)c1C ZINC000438775676 533072173 /nfs/dbraw/zinc/07/21/73/533072173.db2.gz HDGMMCDQFYZIJD-UHFFFAOYSA-N -1 1 297.401 3.174 20 0 CGADMM COc1cc(SC)ccc1NC(=O)c1ccccc1[O-] ZINC000192699301 533107596 /nfs/dbraw/zinc/10/75/96/533107596.db2.gz NOQAZXIHNWISTI-UHFFFAOYSA-N -1 1 289.356 3.375 20 0 CGADMM C[C@@H]1CCCN1C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000282577853 296404583 /nfs/dbraw/zinc/40/45/83/296404583.db2.gz WTDIFTGTJYCFGK-SECBINFHSA-N -1 1 290.750 3.218 20 0 CGADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000288110685 197005913 /nfs/dbraw/zinc/00/59/13/197005913.db2.gz IZYFGMLTWMVZJA-DOMZBBRYSA-N -1 1 289.375 3.002 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000335943367 542473121 /nfs/dbraw/zinc/47/31/21/542473121.db2.gz OCYVAGNUQHPLHD-HTQZYQBOSA-N -1 1 291.244 3.448 20 0 CGADMM O=C([O-])c1ccc2c(c1)CN(C[C@@H]1CCC(F)(F)C1)C2 ZINC000394172149 542613468 /nfs/dbraw/zinc/61/34/68/542613468.db2.gz WQQLEXNTCATVIS-SNVBAGLBSA-N -1 1 281.302 3.136 20 0 CGADMM O=C(c1ccccc1[O-])N1CCc2ccc(Cl)cc21 ZINC000058723097 392116330 /nfs/dbraw/zinc/11/63/30/392116330.db2.gz RJKFRSPMLLPPTF-UHFFFAOYSA-N -1 1 273.719 3.249 20 0 CGADMM CCCOc1ccc(NC(=O)c2cncc([O-])c2)c(C)c1 ZINC000109955490 392374449 /nfs/dbraw/zinc/37/44/49/392374449.db2.gz GBFYNCRXJYPWMU-UHFFFAOYSA-N -1 1 286.331 3.137 20 0 CGADMM COc1cc(C(=O)NCC2(C)CCCC2)cc(Cl)c1[O-] ZINC000153793035 392530727 /nfs/dbraw/zinc/53/07/27/392530727.db2.gz KTWCKGCLHMHXCR-UHFFFAOYSA-N -1 1 297.782 3.364 20 0 CGADMM C[C@H](C(=O)[N-]OC/C=C/Cl)c1cccc(Cl)c1 ZINC000291858066 392494905 /nfs/dbraw/zinc/49/49/05/392494905.db2.gz ORBJDRFFOWOBOJ-SWTNXBIASA-N -1 1 274.147 3.244 20 0 CGADMM Cc1nc(-c2ccc(N(C)CC3CCC3)nc2)[n-]c(=O)c1C ZINC000301407918 392590061 /nfs/dbraw/zinc/59/00/61/392590061.db2.gz VZRDLWKFBMBACS-UHFFFAOYSA-N -1 1 298.390 3.097 20 0 CGADMM CCCC[C@H](CC)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505725590 392690510 /nfs/dbraw/zinc/69/05/10/392690510.db2.gz LMYRFUNMROIWKW-NSHDSACASA-N -1 1 293.363 3.334 20 0 CGADMM CO[C@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000334493131 392730198 /nfs/dbraw/zinc/73/01/98/392730198.db2.gz DYJKETQIZXPJDG-KOLCDFICSA-N -1 1 283.755 3.189 20 0 CGADMM CCc1nc(SCC2(C)CCC2)[n-]c(=O)c1C ZINC000519835387 392897065 /nfs/dbraw/zinc/89/70/65/392897065.db2.gz XLHOWLAJEBUKRL-UHFFFAOYSA-N -1 1 252.383 3.335 20 0 CGADMM CCC1(N=c2nc(C(F)(F)F)[n-]s2)CCCC1 ZINC000382584977 392919813 /nfs/dbraw/zinc/91/98/13/392919813.db2.gz ZPURSACNLBGULZ-UHFFFAOYSA-N -1 1 265.304 3.114 20 0 CGADMM CCn1ncc2ccc(NC(=O)c3ccccc3[O-])cc21 ZINC000195362875 392965538 /nfs/dbraw/zinc/96/55/38/392965538.db2.gz BYHJDNRCONNARH-UHFFFAOYSA-N -1 1 281.315 3.014 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@H]2CCC[C@@H](C)C2)n1 ZINC000432667286 393625978 /nfs/dbraw/zinc/62/59/78/393625978.db2.gz LQOUPVLORZRBJR-ZJUUUORDSA-N -1 1 268.382 3.115 20 0 CGADMM Cc1ccc(/C=C\C(=O)Nc2ccc([O-])c(Cl)c2)nc1 ZINC000492429943 393733929 /nfs/dbraw/zinc/73/39/29/393733929.db2.gz WWUNMHXRBJTJET-ALCCZGGFSA-N -1 1 288.734 3.401 20 0 CGADMM Cc1cc(-c2noc(-c3cc(F)ccc3[O-])n2)c(C)o1 ZINC000445857702 393831506 /nfs/dbraw/zinc/83/15/06/393831506.db2.gz OYMPEXPDMDXMPE-UHFFFAOYSA-N -1 1 274.251 3.458 20 0 CGADMM Cc1c2cc(C)ccc2sc1C(=O)Nc1ccncc1[O-] ZINC000446224041 393855079 /nfs/dbraw/zinc/85/50/79/393855079.db2.gz DHZPZFNJFKJVRJ-UHFFFAOYSA-N -1 1 298.367 3.293 20 0 CGADMM O=C(NCC1CCCCCC1)c1c[nH]c2ccccc2c1=O ZINC000452790622 394120963 /nfs/dbraw/zinc/12/09/63/394120963.db2.gz FUQUMNNIFFLNGI-UHFFFAOYSA-N -1 1 298.386 3.228 20 0 CGADMM C[C@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])[C@H]1C ZINC000669137607 543088942 /nfs/dbraw/zinc/08/89/42/543088942.db2.gz AUNZSJHRBNQHHQ-RYUDHWBXSA-N -1 1 284.359 3.201 20 0 CGADMM CC1(C)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000670246426 543145100 /nfs/dbraw/zinc/14/51/00/543145100.db2.gz DLFXRICSIPWKPV-UHFFFAOYSA-N -1 1 290.750 3.076 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]2C[C@H]21 ZINC000672135211 543200496 /nfs/dbraw/zinc/20/04/96/543200496.db2.gz WPONBNSXQOAMKV-SWLSCSKDSA-N -1 1 267.328 3.170 20 0 CGADMM O=C(NC(C1CCC1)C1CCC1)c1ccc([O-])c(F)c1 ZINC000672303858 543207774 /nfs/dbraw/zinc/20/77/74/543207774.db2.gz FQLWEUNLIXPPTR-UHFFFAOYSA-N -1 1 277.339 3.230 20 0 CGADMM Cc1cccc(C(=O)Nc2c([O-])cccc2F)c1F ZINC000675523703 543345619 /nfs/dbraw/zinc/34/56/19/543345619.db2.gz NXKDDUBDMBRIIT-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000039296085 286890049 /nfs/dbraw/zinc/89/00/49/286890049.db2.gz PLRJCPQRWGSGJV-UHFFFAOYSA-N -1 1 288.221 3.132 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](C)S1 ZINC000070387753 286989226 /nfs/dbraw/zinc/98/92/26/286989226.db2.gz WSGJPHNTHZKSEE-IUCAKERBSA-N -1 1 285.796 3.012 20 0 CGADMM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1ccc(F)cc1 ZINC000074842488 287019110 /nfs/dbraw/zinc/01/91/10/287019110.db2.gz XLJBNQQBMFDOES-UHFFFAOYSA-N -1 1 290.319 3.108 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000080923354 287069007 /nfs/dbraw/zinc/06/90/07/287069007.db2.gz CEGWVUJPDGJZLS-UHFFFAOYSA-N -1 1 279.336 3.189 20 0 CGADMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084937055 287081640 /nfs/dbraw/zinc/08/16/40/287081640.db2.gz MQJLBSYAUBGCJV-MNOVXSKESA-N -1 1 281.377 3.146 20 0 CGADMM CCN(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CCCCC1 ZINC000079403492 165147035 /nfs/dbraw/zinc/14/70/35/165147035.db2.gz HOWZHRIBPFMCQR-UHFFFAOYSA-N -1 1 299.374 3.130 20 0 CGADMM CCC[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000089944510 165220850 /nfs/dbraw/zinc/22/08/50/165220850.db2.gz LHGUIWCLLZRGSZ-OAHLLOKOSA-N -1 1 299.370 3.187 20 0 CGADMM C[C@H]1CC(C(=O)Nc2ccc([O-])c(Cl)c2)C[C@H](C)O1 ZINC000094069370 287121348 /nfs/dbraw/zinc/12/13/48/287121348.db2.gz RTGJLXJFWPYOMT-IUCAKERBSA-N -1 1 283.755 3.188 20 0 CGADMM CCc1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000112333681 287140241 /nfs/dbraw/zinc/14/02/41/287140241.db2.gz CURVMVAMZDWTHW-UHFFFAOYSA-N -1 1 275.373 3.358 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2cc(Cl)ccc2[O-])o1 ZINC000006993474 170260954 /nfs/dbraw/zinc/26/09/54/170260954.db2.gz MCSQOXJWXCDXPG-UHFFFAOYSA-N -1 1 279.723 3.219 20 0 CGADMM Cc1ccc(C[C@@H](C)NC(=O)c2c([O-])cccc2F)s1 ZINC000125597768 287247210 /nfs/dbraw/zinc/24/72/10/287247210.db2.gz KGONSYKZXNUEAJ-SECBINFHSA-N -1 1 293.363 3.262 20 0 CGADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000035161616 172021599 /nfs/dbraw/zinc/02/15/99/172021599.db2.gz KTDMZFITOKUNFB-SNVBAGLBSA-N -1 1 255.317 3.074 20 0 CGADMM CCC[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000035238999 172077546 /nfs/dbraw/zinc/07/75/46/172077546.db2.gz OPGZOEZPGASBDC-SECBINFHSA-N -1 1 255.745 3.306 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000037251208 173063285 /nfs/dbraw/zinc/06/32/85/173063285.db2.gz OQESTSZUFLCJMX-KOLCDFICSA-N -1 1 267.756 3.354 20 0 CGADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])c1cccs1 ZINC000128632057 287315078 /nfs/dbraw/zinc/31/50/78/287315078.db2.gz GEKRLWMVSPCLEZ-NSHDSACASA-N -1 1 279.336 3.474 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000048652088 416457189 /nfs/dbraw/zinc/45/71/89/416457189.db2.gz ZKVMGXNTCVHMTE-UHFFFAOYSA-N -1 1 281.764 3.449 20 0 CGADMM CCCOc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000129895046 287340784 /nfs/dbraw/zinc/34/07/84/287340784.db2.gz CKFQWNQBCVJFMQ-UHFFFAOYSA-N -1 1 287.315 3.139 20 0 CGADMM C[C@H]1c2ccsc2CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681014935 543756399 /nfs/dbraw/zinc/75/63/99/543756399.db2.gz ACDCBCDVVZTWNQ-VIFPVBQESA-N -1 1 291.347 3.352 20 0 CGADMM O=C(NCCc1cccc(Cl)c1)c1ccc([O-])c(F)c1 ZINC000681016655 543756583 /nfs/dbraw/zinc/75/65/83/543756583.db2.gz XWBWHSNBNDGSIH-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM CC1CCC(CNC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681021168 543758209 /nfs/dbraw/zinc/75/82/09/543758209.db2.gz PWSHZNVKMKWQGF-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM COc1ccc(Cl)c(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681022401 543758410 /nfs/dbraw/zinc/75/84/10/543758410.db2.gz GORQJEHKKGHZCB-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM C[C@@H](CCNC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000681037767 543759956 /nfs/dbraw/zinc/75/99/56/543759956.db2.gz LOHXNCWDVYTACA-LBPRGKRZSA-N -1 1 287.334 3.455 20 0 CGADMM O=C(N[C@@H]1CCCc2sccc21)c1ccc([O-])c(F)c1 ZINC000681086624 543764026 /nfs/dbraw/zinc/76/40/26/543764026.db2.gz QNMRGCKXCKJQPR-GFCCVEGCSA-N -1 1 291.347 3.400 20 0 CGADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([O-])cc1F)CC2 ZINC000681517486 543793030 /nfs/dbraw/zinc/79/30/30/543793030.db2.gz HXBDWOUDCBMZNN-INIZCTEOSA-N -1 1 285.318 3.257 20 0 CGADMM CCc1ccc(C(=O)N2CCc3ccc(C)cc32)c([O-])c1 ZINC000682481956 543849137 /nfs/dbraw/zinc/84/91/37/543849137.db2.gz AZDHESJDBQBLPC-UHFFFAOYSA-N -1 1 281.355 3.466 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)[C@H]1C ZINC000131448061 287380426 /nfs/dbraw/zinc/38/04/26/287380426.db2.gz OFRFYAOMBCDBQT-IUCAKERBSA-N -1 1 298.180 3.025 20 0 CGADMM [O-]c1ccc(-c2noc(C3(C(F)(F)F)CC3)n2)c(F)c1 ZINC000683592108 543927986 /nfs/dbraw/zinc/92/79/86/543927986.db2.gz LXQVRRUCDOIQBH-UHFFFAOYSA-N -1 1 288.200 3.175 20 0 CGADMM O=C(NC[C@H]1CC=CCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871938 544034887 /nfs/dbraw/zinc/03/48/87/544034887.db2.gz NXBKWIDQHZMHNJ-JTQLQIEISA-N -1 1 299.292 3.497 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc(O)ccc1Cl ZINC000685743364 544096021 /nfs/dbraw/zinc/09/60/21/544096021.db2.gz XOFICCZPYRMCOR-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM O=C([O-])c1ccoc1CN(CCC(F)(F)F)CC1CC1 ZINC000652440503 418968651 /nfs/dbraw/zinc/96/86/51/418968651.db2.gz YYEVMGFGVCEEDL-UHFFFAOYSA-N -1 1 291.269 3.142 20 0 CGADMM CO[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CCCC1 ZINC000664849246 419014033 /nfs/dbraw/zinc/01/40/33/419014033.db2.gz GDCLUDLRYSESCZ-CYBMUJFWSA-N -1 1 292.310 3.459 20 0 CGADMM O=C([O-])[C@H]1CN([C@@H]2C[C@@H]2c2ccccc2)Cc2ccccc21 ZINC000659790287 418991881 /nfs/dbraw/zinc/99/18/81/418991881.db2.gz YWZZFFWIIKYNJT-FGTMMUONSA-N -1 1 293.366 3.227 20 0 CGADMM C[C@H]1CCCC[C@@]1(C)NC(=O)c1ccc([O-])c(F)c1 ZINC000654671444 418995106 /nfs/dbraw/zinc/99/51/06/418995106.db2.gz VFXJXCBDMDTMQX-ZUZCIYMTSA-N -1 1 265.328 3.230 20 0 CGADMM CCCCN(CC)C(=O)c1ncc2ccccc2c1[O-] ZINC000665170433 419070833 /nfs/dbraw/zinc/07/08/33/419070833.db2.gz ULMFABAIPZFQCQ-UHFFFAOYSA-N -1 1 272.348 3.203 20 0 CGADMM Cc1cc2cc(CN(CC(=O)[O-])C3CCC3)oc2cc1C ZINC000656100940 419141193 /nfs/dbraw/zinc/14/11/93/419141193.db2.gz GKKIBKQBBPOJTQ-UHFFFAOYSA-N -1 1 287.359 3.489 20 0 CGADMM O=C([O-])CN(Cc1cc2cc(F)ccc2o1)C1CCC1 ZINC000656101555 419141370 /nfs/dbraw/zinc/14/13/70/419141370.db2.gz OKXHXTKYPWEFJM-UHFFFAOYSA-N -1 1 277.295 3.011 20 0 CGADMM CCN(C(=O)c1ncc2ccccc2c1[O-])C1CCCC1 ZINC000666560149 419225980 /nfs/dbraw/zinc/22/59/80/419225980.db2.gz XFVGQIDOYNNMTI-UHFFFAOYSA-N -1 1 284.359 3.345 20 0 CGADMM CC[C@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C1CC1 ZINC000657172801 419229577 /nfs/dbraw/zinc/22/95/77/419229577.db2.gz IRGBXLPERBDWFI-LBPRGKRZSA-N -1 1 297.351 3.039 20 0 CGADMM C[C@H](C(=O)[O-])c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000657203417 419230766 /nfs/dbraw/zinc/23/07/66/419230766.db2.gz WCHQADSGAALDCK-YFKPBYRVSA-N -1 1 290.266 3.345 20 0 CGADMM O=c1cc(C(F)F)nc(SCc2cc(C3CC3)no2)[n-]1 ZINC000657259471 419238545 /nfs/dbraw/zinc/23/85/45/419238545.db2.gz GFONQNBTEPRGOZ-UHFFFAOYSA-N -1 1 299.302 3.278 20 0 CGADMM CCc1nc(SCc2cc(C)ccn2)[n-]c(=O)c1C ZINC000657263781 419239673 /nfs/dbraw/zinc/23/96/73/419239673.db2.gz IOIQUPBPNIWICQ-UHFFFAOYSA-N -1 1 275.377 3.049 20 0 CGADMM CSc1ccc([O-])c(-c2nc(C3CCOCC3)no2)c1 ZINC000663305258 419547030 /nfs/dbraw/zinc/54/70/30/419547030.db2.gz MYXRPUDKQNWGKA-UHFFFAOYSA-N -1 1 292.360 3.058 20 0 CGADMM CCC(CC)CN(CC)C(=O)c1ccc([O-])cc1F ZINC000226268630 287634291 /nfs/dbraw/zinc/63/42/91/287634291.db2.gz FMBVIFCQXJPNQG-UHFFFAOYSA-N -1 1 267.344 3.430 20 0 CGADMM Cc1cccnc1/C=C/C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184016036 270057035 /nfs/dbraw/zinc/05/70/35/270057035.db2.gz JCAYXNGBPQVYKQ-FNORWQNLSA-N -1 1 288.734 3.401 20 0 CGADMM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000227354581 270087176 /nfs/dbraw/zinc/08/71/76/270087176.db2.gz ODWWRVSQKRPOTJ-GHMZBOCLSA-N -1 1 299.823 3.450 20 0 CGADMM CSCCCCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000229596761 270088677 /nfs/dbraw/zinc/08/86/77/270088677.db2.gz YKJHAEBANXQRRC-UHFFFAOYSA-N -1 1 287.812 3.309 20 0 CGADMM O=C(NC(C1CCC1)C1CCC1)c1c([O-])cccc1F ZINC000325450609 270094965 /nfs/dbraw/zinc/09/49/65/270094965.db2.gz PTMWAIBJBUFCJH-UHFFFAOYSA-N -1 1 277.339 3.230 20 0 CGADMM CCc1nc(SC[C@H](CC(C)C)OC)[n-]c(=O)c1C ZINC000519786622 270097979 /nfs/dbraw/zinc/09/79/79/270097979.db2.gz YPNGRELHINFQBZ-NSHDSACASA-N -1 1 284.425 3.206 20 0 CGADMM CC(C)c1ccc([C@H](C)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1 ZINC000530170018 270195355 /nfs/dbraw/zinc/19/53/55/270195355.db2.gz NSXXTYLQARMYFL-WWGRRREGSA-N -1 1 291.391 3.045 20 0 CGADMM CC(C)OC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000530684044 270202121 /nfs/dbraw/zinc/20/21/21/270202121.db2.gz FLRMDIHUCBYADJ-UHFFFAOYSA-N -1 1 297.782 3.075 20 0 CGADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])CC(F)(F)F ZINC000396989942 288019794 /nfs/dbraw/zinc/01/97/94/288019794.db2.gz BNEZHHCQKHQCAK-SSDOTTSWSA-N -1 1 295.688 3.364 20 0 CGADMM CC1(C)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000180614350 278256496 /nfs/dbraw/zinc/25/64/96/278256496.db2.gz LNASMMTUPHGWJV-UHFFFAOYSA-N -1 1 287.281 3.283 20 0 CGADMM C[C@H]1CCCN(Cc2cc3cc(F)ccc3o2)[C@@H]1C(=O)[O-] ZINC000334575930 278342899 /nfs/dbraw/zinc/34/28/99/278342899.db2.gz CEUXJPHYTSXVIV-BONVTDFDSA-N -1 1 291.322 3.257 20 0 CGADMM C[C@@H]1CCC[C@H](OCC(=O)Nc2cccc(F)c2[O-])C1 ZINC000530004552 288281112 /nfs/dbraw/zinc/28/11/12/288281112.db2.gz BTSPKNOYPOMOFE-MNOVXSKESA-N -1 1 281.327 3.065 20 0 CGADMM CC(C)(C)c1ccc(C(=O)Nc2cccc(F)c2[O-])nc1 ZINC000530005749 288281604 /nfs/dbraw/zinc/28/16/04/288281604.db2.gz NHWDPMBELGUWSQ-UHFFFAOYSA-N -1 1 288.322 3.476 20 0 CGADMM C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000530006376 288282143 /nfs/dbraw/zinc/28/21/43/288282143.db2.gz RSAWQAODCRVFRE-NXEZZACHSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@@H](CN(C)Cc1nc(C(=O)[O-])cs1)C1CCCCC1 ZINC000530174162 288293079 /nfs/dbraw/zinc/29/30/79/288293079.db2.gz VQTZZCHYBPKQQV-NSHDSACASA-N -1 1 296.436 3.490 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000548299217 288998884 /nfs/dbraw/zinc/99/88/84/288998884.db2.gz OFVCEAOUQYPWIO-MJBXVCDLSA-N -1 1 288.391 3.136 20 0 CGADMM O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)c1cncc([O-])c1 ZINC000562744554 289731854 /nfs/dbraw/zinc/73/18/54/289731854.db2.gz YPYAIBMXGFJOME-YOEHRIQHSA-N -1 1 296.370 3.101 20 0 CGADMM CCC(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000428377830 528531376 /nfs/dbraw/zinc/53/13/76/528531376.db2.gz TUCUONSQAMVFBW-UHFFFAOYSA-N -1 1 293.791 3.194 20 0 CGADMM O=C(Nc1ccsc1Cl)c1ccc(O)cc1[O-] ZINC000186966624 327706720 /nfs/dbraw/zinc/70/67/20/327706720.db2.gz PHVCIJIIJIRLCG-UHFFFAOYSA-N -1 1 269.709 3.065 20 0 CGADMM CCC[C@@]1(NC(=O)c2cc3ccccc3cc2[O-])CCOC1 ZINC000378762011 327756712 /nfs/dbraw/zinc/75/67/12/327756712.db2.gz KDJKFWSHJQMJFE-GOSISDBHSA-N -1 1 299.370 3.234 20 0 CGADMM Cc1nc(S[C@@H](C)c2ccccc2)[n-]c(=O)c1C ZINC000005155235 327912692 /nfs/dbraw/zinc/91/26/92/327912692.db2.gz KDMGEHJIWWUNHJ-NSHDSACASA-N -1 1 260.362 3.240 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1cc(C(C)(C)C)on1 ZINC000566573266 322130102 /nfs/dbraw/zinc/13/01/02/322130102.db2.gz VLLPCBFBPMDKOB-MDZLAQPJSA-N -1 1 294.395 3.046 20 0 CGADMM CCCCOCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000567795901 322178267 /nfs/dbraw/zinc/17/82/67/322178267.db2.gz RNAJFQYVPLBCDH-UHFFFAOYSA-N -1 1 278.324 3.029 20 0 CGADMM O=c1cc(C2CC2)nc(SCCCC2CCOCC2)[n-]1 ZINC000568353964 322205334 /nfs/dbraw/zinc/20/53/34/322205334.db2.gz KJQYXACIWXMUMV-UHFFFAOYSA-N -1 1 294.420 3.359 20 0 CGADMM O=c1cc(C2CC2)nc(SCC[C@@H]2CCCCO2)[n-]1 ZINC000570507711 322275064 /nfs/dbraw/zinc/27/50/64/322275064.db2.gz NZJQCXYMJULAAM-NSHDSACASA-N -1 1 280.393 3.111 20 0 CGADMM O=C(NC1(CF)CCC1)c1cc2ccccc2cc1[O-] ZINC000574810667 322457582 /nfs/dbraw/zinc/45/75/82/322457582.db2.gz BXWUEFYIGUVWCT-UHFFFAOYSA-N -1 1 273.307 3.167 20 0 CGADMM [O-]c1ccc(-c2noc(C34CCC(CC3)C4)n2)cc1F ZINC000583242646 329392143 /nfs/dbraw/zinc/39/21/43/329392143.db2.gz ZCOPQZUSILNZFQ-UHFFFAOYSA-N -1 1 274.295 3.413 20 0 CGADMM Cc1cnc(SC[C@H]2CCCC2(F)F)[n-]c1=O ZINC000576718743 335239943 /nfs/dbraw/zinc/23/99/43/335239943.db2.gz HGWRXPSEVCZDRU-MRVPVSSYSA-N -1 1 260.309 3.018 20 0 CGADMM Cc1cnc(SC[C@@H]2CCCC2(F)F)[n-]c1=O ZINC000576718744 335239969 /nfs/dbraw/zinc/23/99/69/335239969.db2.gz HGWRXPSEVCZDRU-QMMMGPOBSA-N -1 1 260.309 3.018 20 0 CGADMM Cc1cc(=O)[n-]c([C@H](C)[N@@H+]2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000192592587 335280379 /nfs/dbraw/zinc/28/03/79/335280379.db2.gz ADXCVBUIVHHJRN-YOEHRIQHSA-N -1 1 287.407 3.374 20 0 CGADMM Cc1ccsc1CCNC(=O)c1c(F)ccc([O-])c1F ZINC000577442959 335352575 /nfs/dbraw/zinc/35/25/75/335352575.db2.gz GJMUMGMGRRZMNZ-UHFFFAOYSA-N -1 1 297.326 3.013 20 0 CGADMM CCC(C)(C)OCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000351222134 335583549 /nfs/dbraw/zinc/58/35/49/335583549.db2.gz MAWFNTPSRVXLME-UHFFFAOYSA-N -1 1 280.299 3.287 20 0 CGADMM C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000194635914 336035192 /nfs/dbraw/zinc/03/51/92/336035192.db2.gz XJFFAROAORQYCM-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM C[C@H](c1ccccc1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000383850567 336118359 /nfs/dbraw/zinc/11/83/59/336118359.db2.gz QEGPUEYCYJQKIN-LLVKDONJSA-N -1 1 259.305 3.171 20 0 CGADMM Cc1cnc(SCc2ccn(C3CCCC3)n2)[n-]c1=O ZINC000581835651 336150334 /nfs/dbraw/zinc/15/03/34/336150334.db2.gz GKTAHDNPJMZPOZ-UHFFFAOYSA-N -1 1 290.392 3.095 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(F)cc1F ZINC000163579984 533742123 /nfs/dbraw/zinc/74/21/23/533742123.db2.gz CEWCUSMOYVCMIH-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])o1 ZINC000424422859 533744877 /nfs/dbraw/zinc/74/48/77/533744877.db2.gz UDVBMCYHPHGCLF-ZSEWYUTFSA-N -1 1 277.364 3.088 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc([O-])cc2F)[C@H]1C ZINC000436593273 533856029 /nfs/dbraw/zinc/85/60/29/533856029.db2.gz AKQSJBIHFQKJDA-GRYCIOLGSA-N -1 1 279.355 3.333 20 0 CGADMM CSc1ccc(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])s1 ZINC000424420803 534205569 /nfs/dbraw/zinc/20/55/69/534205569.db2.gz QYKGTUBABNULRA-BXKDBHETSA-N -1 1 285.434 3.155 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000436507174 534230680 /nfs/dbraw/zinc/23/06/80/534230680.db2.gz VNQPLUDPUVZLOP-JTQLQIEISA-N -1 1 293.363 3.190 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CCCSC3)n2)c(F)c1 ZINC000333037119 534452506 /nfs/dbraw/zinc/45/25/06/534452506.db2.gz IUCJYQRCWAXYPB-MRVPVSSYSA-N -1 1 280.324 3.192 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCCc2occc2C1 ZINC000367369854 534659793 /nfs/dbraw/zinc/65/97/93/534659793.db2.gz IJLHQPGFBUSIDT-UHFFFAOYSA-N -1 1 291.734 3.227 20 0 CGADMM O=C(Nc1ccc(C2CCC2)cn1)c1ccccc1[O-] ZINC000436731598 534825503 /nfs/dbraw/zinc/82/55/03/534825503.db2.gz PYCOOARTNNGBQZ-UHFFFAOYSA-N -1 1 268.316 3.307 20 0 CGADMM CC(C)(C)C[C@H]1CCN(C(=O)c2ncccc2[O-])C1(C)C ZINC000414000315 526271830 /nfs/dbraw/zinc/27/18/30/526271830.db2.gz ZKTVFFDELCQELF-GFCCVEGCSA-N -1 1 290.407 3.464 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000111598476 526881540 /nfs/dbraw/zinc/88/15/40/526881540.db2.gz AOHYJWMUQGJHGI-OAHLLOKOSA-N -1 1 296.370 3.197 20 0 CGADMM CO[C@H](C)c1nc(=NC(C)(C)CC(C)(C)C)s[n-]1 ZINC000509540340 536497834 /nfs/dbraw/zinc/49/78/34/536497834.db2.gz MORZMWYTYZZGMG-SECBINFHSA-N -1 1 271.430 3.294 20 0 CGADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361386614 528882004 /nfs/dbraw/zinc/88/20/04/528882004.db2.gz MWGBQZIQLQHCJH-CXAGYDPISA-N -1 1 299.374 3.403 20 0 CGADMM CC[C@H](C)n1ncc(C(=O)Nc2ccc(F)cc2[O-])c1C ZINC000358605848 529291128 /nfs/dbraw/zinc/29/11/28/529291128.db2.gz BAUMEJQHAVEGAQ-VIFPVBQESA-N -1 1 291.326 3.260 20 0 CGADMM CC1(/C=C\C(=O)Nc2ccc([O-])c(Cl)c2)CCOCC1 ZINC000493645813 535272605 /nfs/dbraw/zinc/27/26/05/535272605.db2.gz HIHQWYDWVPLYBS-PLNGDYQASA-N -1 1 295.766 3.357 20 0 CGADMM C[C@@H](COC(=O)c1c([O-])cc(F)cc1F)C(F)(F)F ZINC000748261926 572971176 /nfs/dbraw/zinc/97/11/76/572971176.db2.gz MMRNGTPOSRAPFL-YFKPBYRVSA-N -1 1 284.180 3.026 20 0 CGADMM Cc1cc(C)c(CNCc2ccc(C(=O)[O-])o2)cc1C ZINC000738354601 572372340 /nfs/dbraw/zinc/37/23/40/572372340.db2.gz DOTXCCUHFBVDFZ-UHFFFAOYSA-N -1 1 273.332 3.193 20 0 CGADMM C[C@H](c1cc(F)ccc1F)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173877 572403657 /nfs/dbraw/zinc/40/36/57/572403657.db2.gz GOXUAUJOTVGKHE-GPCCPHFNSA-N -1 1 298.333 3.004 20 0 CGADMM CC[C@@H](c1ccc(Cl)cc1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739278892 572540422 /nfs/dbraw/zinc/54/04/22/572540422.db2.gz ONMAQEUGUDUDCZ-OLZOCXBDSA-N -1 1 282.771 3.133 20 0 CGADMM O=C(NCCCC(F)(F)F)c1c([O-])cccc1Cl ZINC000743814444 572686063 /nfs/dbraw/zinc/68/60/63/572686063.db2.gz JPSUTBHQPQNYKY-UHFFFAOYSA-N -1 1 281.661 3.118 20 0 CGADMM CC/C=C(\C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744550084 572763241 /nfs/dbraw/zinc/76/32/41/572763241.db2.gz XNTXFGDENHXEJP-VZUCSPMQSA-N -1 1 276.332 3.037 20 0 CGADMM C[C@@H]1Cc2ccccc2CN1Cc1ccc(F)cc1C(=O)[O-] ZINC000736823877 572819582 /nfs/dbraw/zinc/81/95/82/572819582.db2.gz FACNBIZUKHNTQH-GFCCVEGCSA-N -1 1 299.345 3.471 20 0 CGADMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000211388284 600747256 /nfs/dbraw/zinc/74/72/56/600747256.db2.gz WKVSVSQURSGBLW-ABAIWWIYSA-N -1 1 273.307 3.302 20 0 CGADMM O=C([O-])[C@H](c1ccccc1F)N1CC[C@H](c2ccco2)C1 ZINC000833173260 601008492 /nfs/dbraw/zinc/00/84/92/601008492.db2.gz PUJOVPNUKDRVKX-NHYWBVRUSA-N -1 1 289.306 3.034 20 0 CGADMM C/C(=C/CN(C)[C@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000088630687 601051917 /nfs/dbraw/zinc/05/19/17/601051917.db2.gz MAICGKBRFGOZSA-HIJJYWJESA-N -1 1 267.756 3.364 20 0 CGADMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000050508371 601511026 /nfs/dbraw/zinc/51/10/26/601511026.db2.gz WOBRHNUPFMISKH-BMIGLBTASA-N -1 1 291.297 3.441 20 0 CGADMM C[C@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000050508369 601511393 /nfs/dbraw/zinc/51/13/93/601511393.db2.gz WOBRHNUPFMISKH-BONVTDFDSA-N -1 1 291.297 3.441 20 0 CGADMM Cc1[n-]n(-c2cccc(C(F)(F)F)n2)c(=O)c1C(C)C ZINC000899352574 620650042 /nfs/dbraw/zinc/65/00/42/620650042.db2.gz LPDHVBRPBHQYPK-LLVKDONJSA-N -1 1 285.269 3.095 20 0 CGADMM O=C([O-])c1sccc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000088431498 601804179 /nfs/dbraw/zinc/80/41/79/601804179.db2.gz JMSOEJQWRSZPAN-SECBINFHSA-N -1 1 293.310 3.221 20 0 CGADMM CCc1[n-]n(-c2cc(Cl)ccc2C)c(=O)c1F ZINC000899362551 620669520 /nfs/dbraw/zinc/66/95/20/620669520.db2.gz WZDMUWFWUQAQCR-NSHDSACASA-N -1 1 254.692 3.099 20 0 CGADMM CCc1c(C(C)C)[n-]n(C2CCC(F)(F)CC2)c1=O ZINC000899365683 620674057 /nfs/dbraw/zinc/67/40/57/620674057.db2.gz AJVBBJNPFYPETM-LLVKDONJSA-N -1 1 272.339 3.445 20 0 CGADMM CN(CC(=O)[O-])Cc1ccc(-c2ccc(F)cc2)s1 ZINC000833691771 604540893 /nfs/dbraw/zinc/54/08/93/604540893.db2.gz ABABYQFQFZUNLX-UHFFFAOYSA-N -1 1 279.336 3.071 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1cscc1Cl)CC2 ZINC000833771952 604651302 /nfs/dbraw/zinc/65/13/02/604651302.db2.gz VPKAULOQXVDKBE-JTQLQIEISA-N -1 1 285.796 3.088 20 0 CGADMM CC(C)(C)c1ccc(CN(CC(=O)[O-])C2CC2)s1 ZINC000166278379 604756030 /nfs/dbraw/zinc/75/60/30/604756030.db2.gz ASFKLIKBOPSMND-UHFFFAOYSA-N -1 1 267.394 3.095 20 0 CGADMM O=C([O-])Nc1ccc(CN2CCC[C@@H]2c2ccco2)cn1 ZINC000834260502 605595833 /nfs/dbraw/zinc/59/58/33/605595833.db2.gz RTVUQYDUXMXATA-GFCCVEGCSA-N -1 1 287.319 3.102 20 0 CGADMM CCc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821492162 606410775 /nfs/dbraw/zinc/41/07/75/606410775.db2.gz IQWOPJJZESWELW-UHFFFAOYSA-N -1 1 285.376 3.103 20 0 CGADMM C[C@H](C(=O)[N-]OC1CCC1)c1ccc(Cl)cc1 ZINC000846239333 618080369 /nfs/dbraw/zinc/08/03/69/618080369.db2.gz WHTHNDWSVGRDIH-VIFPVBQESA-N -1 1 253.729 3.044 20 0 CGADMM O=C(OCc1cccc(F)c1)c1c([O-])cc(F)cc1F ZINC000063543367 617616503 /nfs/dbraw/zinc/61/65/03/617616503.db2.gz MDYYECDBOZYBLZ-UHFFFAOYSA-N -1 1 282.217 3.167 20 0 CGADMM O=C(OCc1ccccc1F)c1c([O-])cc(F)cc1F ZINC000063543400 617616958 /nfs/dbraw/zinc/61/69/58/617616958.db2.gz ZNQHQIKYVOAGHU-UHFFFAOYSA-N -1 1 282.217 3.167 20 0 CGADMM CC[C@H](CC(=O)NCc1n[n-]c(=S)n1C(C)C)C(C)C ZINC000066640436 618863219 /nfs/dbraw/zinc/86/32/19/618863219.db2.gz BYCTXACOSARUML-LLVKDONJSA-N -1 1 298.456 3.210 20 0 CGADMM C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc2ccccc2c1[O-] ZINC000318067782 619259026 /nfs/dbraw/zinc/25/90/26/619259026.db2.gz JVJDMWJKXSGJQZ-STQMWFEESA-N -1 1 298.386 3.453 20 0 CGADMM c1nn(C2CCC2)cc1[N-]c1nnc(-c2ccccn2)s1 ZINC000897106190 620145407 /nfs/dbraw/zinc/14/54/07/620145407.db2.gz NFKSMJYGZLODAQ-UHFFFAOYSA-N -1 1 298.375 3.265 20 0 CGADMM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2)Cc2ccccc2O1 ZINC000263405505 620316858 /nfs/dbraw/zinc/31/68/58/620316858.db2.gz JPKGFMNZNRHBSV-ZDUSSCGKSA-N -1 1 297.354 3.168 20 0 CGADMM C[C@H]([NH2+]Cc1cccc2c1OCC2)c1cccc(O)c1F ZINC000927089866 620573356 /nfs/dbraw/zinc/57/33/56/620573356.db2.gz ITGIREVAEFQRPC-NSHDSACASA-N -1 1 287.334 3.317 20 0 CGADMM C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1cccc(O)c1F ZINC000927089862 620573413 /nfs/dbraw/zinc/57/34/13/620573413.db2.gz ITGIREVAEFQRPC-LLVKDONJSA-N -1 1 287.334 3.317 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CCCC2(CC2)C1 ZINC000898577148 620597385 /nfs/dbraw/zinc/59/73/85/620597385.db2.gz WJYOMYCJGOVUGW-LLVKDONJSA-N -1 1 263.312 3.206 20 0 CGADMM O=C([O-])[C@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000901415295 620880867 /nfs/dbraw/zinc/88/08/67/620880867.db2.gz GWPUSISKYKGQNP-QMMMGPOBSA-N -1 1 293.310 3.064 20 0 CGADMM CCc1oc(CN2CCC(C(F)F)CC2)cc1C(=O)[O-] ZINC000901434403 620886877 /nfs/dbraw/zinc/88/68/77/620886877.db2.gz UYZJRGXWFODZDK-UHFFFAOYSA-N -1 1 287.306 3.017 20 0 CGADMM O=C([O-])[C@@]1(F)CCN(Cc2cccc(C3CCCC3)c2)C1 ZINC000901520051 620925653 /nfs/dbraw/zinc/92/56/53/620925653.db2.gz UXMUZJJLHQBKEE-QGZVFWFLSA-N -1 1 291.366 3.343 20 0 CGADMM CC[C@H](CSc1nc(-c2ccccc2)cc(=O)[n-]1)OC ZINC000901615067 620954804 /nfs/dbraw/zinc/95/48/04/620954804.db2.gz CAVRATOTRSPQRP-GFCCVEGCSA-N -1 1 290.388 3.366 20 0 CGADMM O=C([O-])c1occc1CN[C@@H]1CCSc2ccccc21 ZINC000902068801 621124251 /nfs/dbraw/zinc/12/42/51/621124251.db2.gz FEKXYYWNENZXKC-GFCCVEGCSA-N -1 1 289.356 3.305 20 0 CGADMM CCN(Cc1ccc(/C=C/C(=O)[O-])o1)Cc1cccs1 ZINC000902072797 621125793 /nfs/dbraw/zinc/12/57/93/621125793.db2.gz GXMMUYZXVZWUQW-BQYQJAHWSA-N -1 1 291.372 3.461 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(F)c(C)c1 ZINC000902082427 621129863 /nfs/dbraw/zinc/12/98/63/621129863.db2.gz CDANLHUKWQWVQR-UHFFFAOYSA-N -1 1 277.295 3.024 20 0 CGADMM CC[C@@H](NCc1csc(C(=O)[O-])c1)c1c(C)noc1C ZINC000902426494 621313605 /nfs/dbraw/zinc/31/36/05/621313605.db2.gz YNNYVIKSNYWVSZ-LLVKDONJSA-N -1 1 294.376 3.292 20 0 CGADMM O=C([O-])CCCN(Cc1nc2ccccc2s1)C1CC1 ZINC000903419979 621750431 /nfs/dbraw/zinc/75/04/31/621750431.db2.gz CDKKCXYQORHSGQ-UHFFFAOYSA-N -1 1 290.388 3.126 20 0 CGADMM CCCCc1nc(CN2C[C@@H](C)[C@H](CC(=O)[O-])C2)cs1 ZINC000903631060 621781334 /nfs/dbraw/zinc/78/13/34/621781334.db2.gz KRUUSVAWBGJRDY-VXGBXAGGSA-N -1 1 296.436 3.028 20 0 CGADMM Cc1ccc(CN(C)Cc2cncc(C(=O)[O-])c2)cc1C ZINC000903907259 621831718 /nfs/dbraw/zinc/83/17/18/621831718.db2.gz JYFFFVNOGXPTLT-UHFFFAOYSA-N -1 1 284.359 3.029 20 0 CGADMM Cc1cc(F)ccc1[C@H](C)NCc1cccc(C(=O)[O-])n1 ZINC000905730410 622101793 /nfs/dbraw/zinc/10/17/93/622101793.db2.gz XJELFEDBGPPUGG-NSHDSACASA-N -1 1 288.322 3.078 20 0 CGADMM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908709004 622369024 /nfs/dbraw/zinc/36/90/24/622369024.db2.gz FRRUUVQBLGMOGX-DTWKUNHWSA-N -1 1 298.180 3.385 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@]12C[C@H]1CCCC2 ZINC000909971565 622440442 /nfs/dbraw/zinc/44/04/42/622440442.db2.gz GDKGYBPSLFWTQU-XLKFXECMSA-N -1 1 267.275 3.189 20 0 CGADMM CC[C@H](C)[C@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985511 622440828 /nfs/dbraw/zinc/44/08/28/622440828.db2.gz KCCKPEMFVWLWBK-YUMQZZPRSA-N -1 1 257.280 3.291 20 0 CGADMM CC(=O)CC(C)(C)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909986086 622442983 /nfs/dbraw/zinc/44/29/83/622442983.db2.gz YXXWVTHOABTACC-UHFFFAOYSA-N -1 1 285.290 3.004 20 0 CGADMM CC(C)(C)C(=O)CCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909987181 622443065 /nfs/dbraw/zinc/44/30/65/622443065.db2.gz KUEFSPAEOUMEGW-UHFFFAOYSA-N -1 1 299.317 3.394 20 0 CGADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909980684 622443168 /nfs/dbraw/zinc/44/31/68/622443168.db2.gz CWPLEXRGHHVFIC-LKFCYVNXSA-N -1 1 299.317 3.204 20 0 CGADMM CCc1csc([C@@H](C)NC(=O)c2c([O-])cccc2F)n1 ZINC000910737828 622501368 /nfs/dbraw/zinc/50/13/68/622501368.db2.gz VZACGVYTMWEXPY-MRVPVSSYSA-N -1 1 294.351 3.041 20 0 CGADMM CCc1csc([C@H](C)NC(=O)c2c([O-])cccc2F)n1 ZINC000910737829 622501487 /nfs/dbraw/zinc/50/14/87/622501487.db2.gz VZACGVYTMWEXPY-QMMMGPOBSA-N -1 1 294.351 3.041 20 0 CGADMM CSCCCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910980979 622512324 /nfs/dbraw/zinc/51/23/24/622512324.db2.gz APQDBHWISHTIAU-UHFFFAOYSA-N -1 1 275.320 3.142 20 0 CGADMM C[C@H](C(=O)Nc1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000910983900 622513240 /nfs/dbraw/zinc/51/32/40/622513240.db2.gz YBRRFFDKWVDUSZ-SSDOTTSWSA-N -1 1 257.280 3.291 20 0 CGADMM CCCCC[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000228836041 623080808 /nfs/dbraw/zinc/08/08/08/623080808.db2.gz KYOQWHMBQNMLKD-SNVBAGLBSA-N -1 1 253.317 3.230 20 0 CGADMM COC[C@H](CSc1nc(C(F)F)cc(=O)[n-]1)C(C)C ZINC000917745282 624309375 /nfs/dbraw/zinc/30/93/75/624309375.db2.gz CSMXUBZAKFHVHN-MRVPVSSYSA-N -1 1 292.351 3.131 20 0 CGADMM CCc1nc(SC[C@H](COC)C(C)C)[n-]c(=O)c1C ZINC000917843561 624314356 /nfs/dbraw/zinc/31/43/56/624314356.db2.gz RUOCBIPPQAOPJA-NSHDSACASA-N -1 1 284.425 3.064 20 0 CGADMM Cc1nc(S[C@H](C)c2ncccn2)[n-]c(=O)c1C1CC1 ZINC000918463720 624348172 /nfs/dbraw/zinc/34/81/72/624348172.db2.gz SCSHWXDCXRCJMN-SECBINFHSA-N -1 1 288.376 3.011 20 0 CGADMM CC(C)CCN(C)C(=O)c1c([O-])cccc1Cl ZINC000920457962 624498294 /nfs/dbraw/zinc/49/82/94/624498294.db2.gz KTBFINSMBYKUQK-UHFFFAOYSA-N -1 1 255.745 3.164 20 0 CGADMM O=C(NNc1c(F)cccc1Cl)c1ccc([O-])cc1F ZINC000184239533 625214398 /nfs/dbraw/zinc/21/43/98/625214398.db2.gz DAWDMQMOBWCEIS-UHFFFAOYSA-N -1 1 298.676 3.081 20 0 CGADMM CC(C)Cc1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000115662195 625802373 /nfs/dbraw/zinc/80/23/73/625802373.db2.gz NAIJXDWIEXOOAB-WQLSENKSSA-N -1 1 261.346 3.209 20 0 CGADMM CC1(C(=O)Nc2cccc([O-])c2Br)CC=CC1 ZINC000821375352 625819097 /nfs/dbraw/zinc/81/90/97/625819097.db2.gz RMWHHACKOISWDG-UHFFFAOYSA-N -1 1 296.164 3.450 20 0 CGADMM CCOCCCCCC(=O)Nc1c([O-])cccc1F ZINC000867006229 626330684 /nfs/dbraw/zinc/33/06/84/626330684.db2.gz FGIAXRPIOKCORU-UHFFFAOYSA-N -1 1 269.316 3.067 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CNCc2ccccc2C(=O)[O-])o1 ZINC000874042637 634508169 /nfs/dbraw/zinc/50/81/69/634508169.db2.gz CUUFOIMPVGLYHW-NHYWBVRUSA-N -1 1 285.343 3.391 20 0 CGADMM O=C([N-]C1(Cc2ccccc2)CCCC1)C(F)(F)F ZINC000756514354 626711466 /nfs/dbraw/zinc/71/14/66/626711466.db2.gz FWNJYCSUJSDGPI-UHFFFAOYSA-N -1 1 271.282 3.220 20 0 CGADMM CCc1ccc([C@@H](C)CC(=O)[N-]OCC(F)F)cc1 ZINC000759322037 626887258 /nfs/dbraw/zinc/88/72/58/626887258.db2.gz GXLXJCCJTGAIHN-JTQLQIEISA-N -1 1 271.307 3.056 20 0 CGADMM O=C(OC/C(Cl)=C\Cl)c1cc(-c2ccco2)n[nH]1 ZINC000763920199 627185092 /nfs/dbraw/zinc/18/50/92/627185092.db2.gz KIAGATKKNJOPCS-FNORWQNLSA-N -1 1 287.102 3.146 20 0 CGADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)cnc1Cl ZINC000768215439 627468990 /nfs/dbraw/zinc/46/89/90/627468990.db2.gz CATQZFBBEIXQRE-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM Cc1cnc([C@H](C)OC(=O)c2cc(F)cc(Cl)c2[O-])o1 ZINC000771004138 627672712 /nfs/dbraw/zinc/67/27/12/627672712.db2.gz RUTLEHNWAAQLRT-ZETCQYMHSA-N -1 1 299.685 3.399 20 0 CGADMM Cc1noc(C2CC2)c1C(=O)[N-]c1nc(C(C)C)ns1 ZINC000874695918 634595011 /nfs/dbraw/zinc/59/50/11/634595011.db2.gz QKTSNJNWOAIRJW-UHFFFAOYSA-N -1 1 292.364 3.088 20 0 CGADMM O=C(OCc1ccccc1F)c1ccc([O-])cc1F ZINC000773571193 627898263 /nfs/dbraw/zinc/89/82/63/627898263.db2.gz QOAFSNHDGYBIQB-UHFFFAOYSA-N -1 1 264.227 3.027 20 0 CGADMM CSCCCCCNC(=O)c1c([O-])cccc1Cl ZINC000775920085 628147947 /nfs/dbraw/zinc/14/79/47/628147947.db2.gz UPOXXTHSNMOPJV-UHFFFAOYSA-N -1 1 287.812 3.309 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CC[C@H](C)C2)c1 ZINC000776409836 628206792 /nfs/dbraw/zinc/20/67/92/628206792.db2.gz CDVPAKJASHLORY-NHYWBVRUSA-N -1 1 290.359 3.117 20 0 CGADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc[nH]1 ZINC000776486683 628213304 /nfs/dbraw/zinc/21/33/04/628213304.db2.gz AIPQPIYIQOQUIS-MRVPVSSYSA-N -1 1 298.264 3.230 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2ccccc2OC2CCCC2)S1 ZINC000874926952 634652886 /nfs/dbraw/zinc/65/28/86/634652886.db2.gz CGTIGDMZLOFXLR-LCYFTJDESA-N -1 1 289.356 3.332 20 0 CGADMM O=C(OCc1c(F)cccc1F)c1ccc([O-])cc1F ZINC000780087565 628455180 /nfs/dbraw/zinc/45/51/80/628455180.db2.gz IFSLYGDILZZECS-UHFFFAOYSA-N -1 1 282.217 3.167 20 0 CGADMM CC(C)c1noc([N-][C@@H]2CCCc3cn(C(C)C)nc32)n1 ZINC000785838146 628890852 /nfs/dbraw/zinc/89/08/52/628890852.db2.gz WGNUOYDAJMDZDF-GFCCVEGCSA-N -1 1 289.383 3.460 20 0 CGADMM CCc1cccc(CC(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000790047031 629179594 /nfs/dbraw/zinc/17/95/94/629179594.db2.gz AJCMVHMKSSFNEA-UHFFFAOYSA-N -1 1 290.750 3.184 20 0 CGADMM O=C(Nc1c([O-])cccc1F)C(F)(F)Cc1ccccc1 ZINC000793736936 629499245 /nfs/dbraw/zinc/49/92/45/629499245.db2.gz VJRYYCAOZSUTPY-UHFFFAOYSA-N -1 1 295.260 3.348 20 0 CGADMM CC(C)SCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000863323846 629533484 /nfs/dbraw/zinc/53/34/84/629533484.db2.gz KSMWQSQDPZJQMS-UHFFFAOYSA-N -1 1 256.396 3.251 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1C(F)(F)F ZINC000875926533 634753005 /nfs/dbraw/zinc/75/30/05/634753005.db2.gz GCJLZSHFHBHNID-JTQLQIEISA-N -1 1 293.672 3.213 20 0 CGADMM CCc1nnc([N-]C(=O)c2nc(C(C)(C)C)cs2)s1 ZINC000864968585 629969651 /nfs/dbraw/zinc/96/96/51/629969651.db2.gz GHCYOGDZZCDDMP-UHFFFAOYSA-N -1 1 296.421 3.107 20 0 CGADMM Cc1conc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000864969171 629971089 /nfs/dbraw/zinc/97/10/89/629971089.db2.gz KLPZKJXYDXKCSH-UHFFFAOYSA-N -1 1 292.364 3.135 20 0 CGADMM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Cl)c2)[C@@H](C)[C@H]1C ZINC000876396312 634826712 /nfs/dbraw/zinc/82/67/12/634826712.db2.gz CHPRNSORJDBOMU-VWYCJHECSA-N -1 1 296.798 3.232 20 0 CGADMM CC[C@@]1(C)CCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876396027 634826900 /nfs/dbraw/zinc/82/69/00/634826900.db2.gz UTPYPKRXYYOBBV-HNNXBMFYSA-N -1 1 296.798 3.377 20 0 CGADMM O=C(N[C@H](C1CC1)C(F)(F)F)c1c([O-])cccc1Cl ZINC000813835636 631469272 /nfs/dbraw/zinc/46/92/72/631469272.db2.gz UCDASBBIMQZIBF-SNVBAGLBSA-N -1 1 293.672 3.116 20 0 CGADMM CCC[C@@H](C(=O)[N-]OCCC1CC1)c1ccccc1 ZINC000817383429 632135122 /nfs/dbraw/zinc/13/51/22/632135122.db2.gz MXDZALOXXZVCCE-OAHLLOKOSA-N -1 1 261.365 3.418 20 0 CGADMM CC(C)[C@@H]1C[C@H](C(=O)Nc2cc([O-])c(F)cc2F)CCO1 ZINC000822542796 632967221 /nfs/dbraw/zinc/96/72/21/632967221.db2.gz IBBZATNXJYFVBY-OTYXRUKQSA-N -1 1 299.317 3.060 20 0 CGADMM CO[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000826928437 633443985 /nfs/dbraw/zinc/44/39/85/633443985.db2.gz OMZWPTKPOCPUCQ-ZWNOBZJWSA-N -1 1 291.734 3.172 20 0 CGADMM O=C(C[C@@H]1CC=CCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000827599136 633502379 /nfs/dbraw/zinc/50/23/79/633502379.db2.gz VYPNPLFEWDSKCU-CYBMUJFWSA-N -1 1 297.358 3.263 20 0 CGADMM O=C(N[C@]12C[C@H]1CCCC2)c1c([O-])cccc1Cl ZINC000870535471 633600065 /nfs/dbraw/zinc/60/00/65/633600065.db2.gz MENAFIHIRCTGTF-YMTOWFKASA-N -1 1 265.740 3.108 20 0 CGADMM CCc1nc(SC2CC(CF)(CF)C2)[n-]c(=O)c1C ZINC000871675721 633820663 /nfs/dbraw/zinc/82/06/63/633820663.db2.gz JGANWRNTUDKHDE-UHFFFAOYSA-N -1 1 288.363 3.233 20 0 CGADMM CC[C@H](C)N(OC)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000830475320 633865779 /nfs/dbraw/zinc/86/57/79/633865779.db2.gz SSSNHEGASIYCCP-QMMMGPOBSA-N -1 1 291.269 3.213 20 0 CGADMM CCc1[n-]n(-c2ccccc2C(F)(F)F)c(=O)c1F ZINC000871940377 633921458 /nfs/dbraw/zinc/92/14/58/633921458.db2.gz SLGIJLKSHSHOOP-JTQLQIEISA-N -1 1 274.217 3.156 20 0 CGADMM CC[C@@H](C)[C@H]([N-]C(=O)C(F)(F)CC)C(F)(F)F ZINC000834544284 634179701 /nfs/dbraw/zinc/17/97/01/634179701.db2.gz SZXZWVMKGYSKFW-RQJHMYQMSA-N -1 1 261.234 3.125 20 0 CGADMM C[C@@H](C(=O)NCc1ccc([O-])c(Cl)c1)C1CCC1 ZINC000834822104 634248514 /nfs/dbraw/zinc/24/85/14/634248514.db2.gz KTWGEONJECGQKX-SECBINFHSA-N -1 1 267.756 3.098 20 0 CGADMM CC(=O)CCC(C)(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834829016 634250937 /nfs/dbraw/zinc/25/09/37/634250937.db2.gz ICOXVXHHANCYCC-UHFFFAOYSA-N -1 1 297.782 3.057 20 0 CGADMM CC(C)(C)C1=N/C(=C/c2cccc([O-])c2Cl)C(=O)O1 ZINC000840730873 635043910 /nfs/dbraw/zinc/04/39/10/635043910.db2.gz ZFAIZBCZZAAEBN-VQHVLOKHSA-N -1 1 279.723 3.388 20 0 CGADMM CCCO[N-]C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000844080930 635815963 /nfs/dbraw/zinc/81/59/63/635815963.db2.gz SOLSKYDYWCEDDX-LBPRGKRZSA-N -1 1 287.359 3.410 20 0 CGADMM COc1ccc(C(=O)Nc2cnc(Cl)c(C)c2)c([O-])c1 ZINC000129910962 636393346 /nfs/dbraw/zinc/39/33/46/636393346.db2.gz WLMINPRXGLPTTE-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM CC(C)[C@H]1CCc2[n-]n(C3CCSCC3)c(=O)c2C1 ZINC000887292829 637790148 /nfs/dbraw/zinc/79/01/48/637790148.db2.gz HRLIUGUGLPHIFP-WCQYABFASA-N -1 1 280.437 3.153 20 0 CGADMM O=c1c2c([n-]n1[C@@H]1CCCSC1)CCCCCC2 ZINC000887299292 637793502 /nfs/dbraw/zinc/79/35/02/637793502.db2.gz VRTLJUPKSCANOA-VXGBXAGGSA-N -1 1 266.410 3.051 20 0 CGADMM CC[C@H](C)c1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000854634632 638078838 /nfs/dbraw/zinc/07/88/38/638078838.db2.gz FWOBEIYDVNOUTE-VIFPVBQESA-N -1 1 273.336 3.190 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)NC1CCC=CCC1 ZINC000889645831 638087156 /nfs/dbraw/zinc/08/71/56/638087156.db2.gz YFYFPHFITORBLP-UHFFFAOYSA-N -1 1 294.782 3.344 20 0 CGADMM Cc1ccc(CC[C@@H](C)Nc2cc(Cl)[n-]c(=O)n2)o1 ZINC000858426243 638713805 /nfs/dbraw/zinc/71/38/05/638713805.db2.gz SOVFIIQGSVXITI-MRVPVSSYSA-N -1 1 281.743 3.170 20 0 CGADMM C[C@@H]1CCN(c2cc(Cl)[n-]c(=O)n2)[C@@H]2CCCC[C@@H]12 ZINC000858436501 638717658 /nfs/dbraw/zinc/71/76/58/638717658.db2.gz ILNUDEOPAZQBJX-OUAUKWLOSA-N -1 1 281.787 3.241 20 0 CGADMM C[C@@H]1CC(C)(C)CC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858435675 638717798 /nfs/dbraw/zinc/71/77/98/638717798.db2.gz OKHNKUVOWDJVPH-RKDXNWHRSA-N -1 1 269.776 3.462 20 0 CGADMM CC(C)(C)C1CC(Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858555051 638760910 /nfs/dbraw/zinc/76/09/10/638760910.db2.gz YSXYDLLGXJAQAT-UHFFFAOYSA-N -1 1 255.749 3.072 20 0 CGADMM O=c1nc(NC2CCC3(CC3(F)F)CC2)cc(Cl)[n-]1 ZINC000858627610 639003736 /nfs/dbraw/zinc/00/37/36/639003736.db2.gz FEBLPVVKWQWKNB-UHFFFAOYSA-N -1 1 289.713 3.216 20 0 CGADMM CC1(C)CCN1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000933298709 639437446 /nfs/dbraw/zinc/43/74/46/639437446.db2.gz HGOBTDSHPUXXTI-UHFFFAOYSA-N -1 1 299.326 3.089 20 0 CGADMM CCC[C@H](C(=O)[N-]OCCCOC)c1cccc(Cl)c1 ZINC000861695389 639608175 /nfs/dbraw/zinc/60/81/75/639608175.db2.gz RGIMRGLIXJXXQK-AWEZNQCLSA-N -1 1 299.798 3.308 20 0 CGADMM COc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1F ZINC000090370065 640676998 /nfs/dbraw/zinc/67/69/98/640676998.db2.gz OKHSYCBKNHFDIB-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CN(C)c1ccc2[nH]c(-c3cccc(F)c3[O-])nc2c1 ZINC001250683972 805754632 /nfs/dbraw/zinc/75/46/32/805754632.db2.gz VADSDCXSIVOCPB-UHFFFAOYSA-N -1 1 271.295 3.141 20 0 CGADMM CCOc1ccc2nc(-c3c([O-])cccc3F)n(C)c2c1 ZINC001250673962 805753875 /nfs/dbraw/zinc/75/38/75/805753875.db2.gz HTKGCYAEWWGNOO-UHFFFAOYSA-N -1 1 286.306 3.484 20 0 CGADMM CCOc1ccc2[nH]c(-c3cccc(F)c3[O-])nc2c1 ZINC001250683470 805754517 /nfs/dbraw/zinc/75/45/17/805754517.db2.gz GQTWMPMBCFWHPG-UHFFFAOYSA-N -1 1 272.279 3.473 20 0 CGADMM CC(=O)c1ccc2[nH]c(-c3cc(F)c(F)cc3[O-])nc2c1 ZINC001250967656 805812851 /nfs/dbraw/zinc/81/28/51/805812851.db2.gz YYTNRBGKKKNPJQ-UHFFFAOYSA-N -1 1 288.253 3.416 20 0 CGADMM Cn1c2ccccc2nc1-c1c(F)cc([O-])cc1F ZINC001251007917 805825142 /nfs/dbraw/zinc/82/51/42/805825142.db2.gz SDIJWPDDFPRJGN-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CN(C)c1ccc2nc(-c3cc([O-])c(F)c(F)c3)[nH]c2c1 ZINC001251240226 805870423 /nfs/dbraw/zinc/87/04/23/805870423.db2.gz YJQYYLPOFDEXEN-UHFFFAOYSA-N -1 1 289.285 3.280 20 0 CGADMM CC(=O)c1ccc2[nH]c(-c3c(F)ccc([O-])c3F)nc2c1 ZINC001251335374 805885236 /nfs/dbraw/zinc/88/52/36/805885236.db2.gz DVLWXBVAMMABRC-UHFFFAOYSA-N -1 1 288.253 3.416 20 0 CGADMM CN(C)c1ccc2nc(-c3ccc(F)cc3C(=O)[O-])[nH]c2c1 ZINC001251725198 805926409 /nfs/dbraw/zinc/92/64/09/805926409.db2.gz WUPFOJITRMRFJP-UHFFFAOYSA-N -1 1 299.305 3.133 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C)c(F)c2)cc1 ZINC001252184367 806030009 /nfs/dbraw/zinc/03/00/09/806030009.db2.gz QXUXKSAXTPVNHH-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Cc1ccc(-c2nnc(-c3ccc(O)cc3[O-])o2)cc1 ZINC001252608516 806085360 /nfs/dbraw/zinc/08/53/60/806085360.db2.gz ZUTPKNPBVPCEIW-UHFFFAOYSA-N -1 1 268.272 3.123 20 0 CGADMM CCCS(=O)(=O)[N-]c1cccc(F)c1OCC(C)C ZINC001253710815 806282694 /nfs/dbraw/zinc/28/26/94/806282694.db2.gz ONFWMHNACSWHKW-UHFFFAOYSA-N -1 1 289.372 3.012 20 0 CGADMM Cc1cnccc1/C=C/C(=O)Nc1cc([O-])c(F)cc1F ZINC001160917887 806320761 /nfs/dbraw/zinc/32/07/61/806320761.db2.gz VOTVROSESJSZGO-NSCUHMNNSA-N -1 1 290.269 3.026 20 0 CGADMM [O-]c1ccc(Br)cc1-c1nnc(C2CC2)o1 ZINC001254048921 806333206 /nfs/dbraw/zinc/33/32/06/806333206.db2.gz OXGLVBSTSCZFCU-UHFFFAOYSA-N -1 1 281.109 3.082 20 0 CGADMM C[C@@H](CC(C)(C)C)NC(=O)c1cccc([O-])c1F ZINC001161121796 806350272 /nfs/dbraw/zinc/35/02/72/806350272.db2.gz WCWFRUDGTIPCMW-VIFPVBQESA-N -1 1 253.317 3.086 20 0 CGADMM O=C(Nc1c[n-][nH]c1=O)c1cc2cc(Cl)ccc2s1 ZINC001161391105 806373221 /nfs/dbraw/zinc/37/32/21/806373221.db2.gz CFRMTCKOEBXDKX-UHFFFAOYSA-N -1 1 293.735 3.236 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cn1 ZINC001254717668 806486375 /nfs/dbraw/zinc/48/63/75/806486375.db2.gz FVDGFLFJWNZAIB-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2cnc(C)cc2C)cc1 ZINC001255022708 806528320 /nfs/dbraw/zinc/52/83/20/806528320.db2.gz KUEZSYAAGQEPDF-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000128627484 799020025 /nfs/dbraw/zinc/02/00/25/799020025.db2.gz GSACRBWLCHRCRY-MFKMUULPSA-N -1 1 265.328 3.230 20 0 CGADMM CC(Cl)(Cl)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182862811 799114576 /nfs/dbraw/zinc/11/45/76/799114576.db2.gz JUKYLGMAPBAMIA-UHFFFAOYSA-N -1 1 268.527 3.178 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)cc1 ZINC000311823435 799225763 /nfs/dbraw/zinc/22/57/63/799225763.db2.gz ITJFIYQSOLWJDY-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM O=c1[nH]c2ccc(NCc3cccc([O-])c3Cl)cc2[nH]1 ZINC000381434401 799379885 /nfs/dbraw/zinc/37/98/85/799379885.db2.gz VGYUKULRFVMMSW-UHFFFAOYSA-N -1 1 289.722 3.240 20 0 CGADMM COc1ccccc1CN(C)Cc1cc(C(=O)[O-])cs1 ZINC000711481429 800063659 /nfs/dbraw/zinc/06/36/59/800063659.db2.gz UQSYUQBVDSULFA-UHFFFAOYSA-N -1 1 291.372 3.087 20 0 CGADMM CCCCCc1nnc(-c2cccc([O-])c2F)o1 ZINC001256137565 806832466 /nfs/dbraw/zinc/83/24/66/806832466.db2.gz ZYAKJHWAWIZFCR-UHFFFAOYSA-N -1 1 250.273 3.314 20 0 CGADMM CCCc1ccccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000823012085 800465481 /nfs/dbraw/zinc/46/54/81/800465481.db2.gz ZXLXWQKPZAEXTM-UHFFFAOYSA-N -1 1 297.358 3.264 20 0 CGADMM Cc1cc([C@H](C)NC(=O)c2ccc([O-])c(F)c2)c(C)o1 ZINC001116635808 802388953 /nfs/dbraw/zinc/38/89/53/802388953.db2.gz LSWXRIYXGLYBKG-VIFPVBQESA-N -1 1 277.295 3.232 20 0 CGADMM Cc1cn2cc(-c3cc(F)c([O-])c(F)c3)ccc2n1 ZINC001244094525 803182795 /nfs/dbraw/zinc/18/27/95/803182795.db2.gz UKSRZKDGROASMM-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM COc1cc(-c2cc(F)c([O-])c(F)c2)ccc1F ZINC001244096075 803183771 /nfs/dbraw/zinc/18/37/71/803183771.db2.gz IZYCJAPTACOIAB-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COC(=O)CCc1cccc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244096290 803184380 /nfs/dbraw/zinc/18/43/80/803184380.db2.gz GVUNPIVYKIWSGG-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM COc1cc(C)c(-c2cc(F)c([O-])c(F)c2)c(C)n1 ZINC001244097710 803185301 /nfs/dbraw/zinc/18/53/01/803185301.db2.gz SQNDKOJBQRMKPD-UHFFFAOYSA-N -1 1 265.259 3.358 20 0 CGADMM O=C1Cc2cc(-c3c(F)cccc3C3CC3)ccc2C(=O)[N-]1 ZINC001244121927 803197777 /nfs/dbraw/zinc/19/77/77/803197777.db2.gz ALFYYZNFASPNIF-UHFFFAOYSA-N -1 1 295.313 3.183 20 0 CGADMM COC(=O)c1ccc2cnc(-c3cc(C)ccc3[O-])nc2c1 ZINC001244401790 803350562 /nfs/dbraw/zinc/35/05/62/803350562.db2.gz JJNGYTHKFZFXCB-UHFFFAOYSA-N -1 1 294.310 3.097 20 0 CGADMM CN(C)c1cccc(-c2ccc(OC(F)(F)F)cc2[O-])n1 ZINC001244464517 803380932 /nfs/dbraw/zinc/38/09/32/803380932.db2.gz QPVJEFFKOOBWKA-UHFFFAOYSA-N -1 1 298.264 3.419 20 0 CGADMM Cc1cnnc(-c2ccc(OC(F)(F)F)cc2[O-])c1 ZINC001244464035 803381515 /nfs/dbraw/zinc/38/15/15/803381515.db2.gz NVALPBCITDMWLE-UHFFFAOYSA-N -1 1 270.210 3.056 20 0 CGADMM CCc1nccnc1-c1ccc(OC(F)(F)F)cc1[O-] ZINC001244465006 803382880 /nfs/dbraw/zinc/38/28/80/803382880.db2.gz TVCRDFJUUDGCAU-UHFFFAOYSA-N -1 1 284.237 3.310 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1ccc2nccn2n1 ZINC001244465120 803382899 /nfs/dbraw/zinc/38/28/99/803382899.db2.gz AJWQNPQECUPSGM-UHFFFAOYSA-N -1 1 295.220 3.001 20 0 CGADMM Clc1nc2ccccc2nc1[N-]c1nccs1 ZINC001210989853 814701226 /nfs/dbraw/zinc/70/12/26/814701226.db2.gz RMLZNHXMZIAEPD-UHFFFAOYSA-N -1 1 262.725 3.483 20 0 CGADMM COc1cc(C)nc(-c2cc(C)c([O-])c(Cl)c2)n1 ZINC001244530931 803421948 /nfs/dbraw/zinc/42/19/48/803421948.db2.gz DNTQHHYQTQUDBD-UHFFFAOYSA-N -1 1 264.712 3.128 20 0 CGADMM COC(=O)c1cc(-c2c(Cl)ccc([O-])c2F)ncc1F ZINC001244538004 803424878 /nfs/dbraw/zinc/42/48/78/803424878.db2.gz ILQOQAUPWWTYCQ-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM Cn1ccc2ncnc(-c3c(Cl)ccc([O-])c3F)c21 ZINC001244537430 803424989 /nfs/dbraw/zinc/42/49/89/803424989.db2.gz FDWGVWODFJFJGV-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM COc1cc(-c2c(Cl)ccc([O-])c2F)cnc1OC ZINC001244539854 803427822 /nfs/dbraw/zinc/42/78/22/803427822.db2.gz KPNBVIVJVOFZGL-UHFFFAOYSA-N -1 1 283.686 3.264 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccnc3c2CCN3)c1F ZINC001244540313 803428405 /nfs/dbraw/zinc/42/84/05/803428405.db2.gz DJCQHVQPPSLIJM-UHFFFAOYSA-N -1 1 264.687 3.215 20 0 CGADMM Cc1cnc(-c2cc(C(=O)[O-])c(Cl)cc2F)cc1N ZINC001244610553 803463524 /nfs/dbraw/zinc/46/35/24/803463524.db2.gz IRVYUVJQFIHWEE-UHFFFAOYSA-N -1 1 280.686 3.130 20 0 CGADMM CCOC(=O)Cc1ccnc(-c2cc(Cl)ccc2[O-])c1 ZINC001245050618 803623254 /nfs/dbraw/zinc/62/32/54/803623254.db2.gz KHPBPLRHUDBVGJ-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM Cc1ccc(CNC(=O)c2cc(C)cc(C=O)c2[O-])c(C)c1 ZINC001136181318 803635121 /nfs/dbraw/zinc/63/51/21/803635121.db2.gz JAUPQEJOMHUPPY-UHFFFAOYSA-N -1 1 297.354 3.060 20 0 CGADMM COc1c(F)cc(NC(=O)c2ccc(F)c([O-])c2)cc1F ZINC001136336958 803639987 /nfs/dbraw/zinc/63/99/87/803639987.db2.gz ODZKJEZRDKAXJO-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM Cc1cccc2c1CC[C@H]2NC(=O)c1cc(F)ccc1[O-] ZINC001136713836 803649945 /nfs/dbraw/zinc/64/99/45/803649945.db2.gz SGDXSNSWWSEUQW-OAHLLOKOSA-N -1 1 285.318 3.257 20 0 CGADMM CC[C@H]1CCCCCN1C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001136870714 803657190 /nfs/dbraw/zinc/65/71/90/803657190.db2.gz KUHHRSANEGVMMF-AWEZNQCLSA-N -1 1 289.375 3.308 20 0 CGADMM Cc1cc2nc[nH]c2cc1-c1cc(CC(=O)[O-])ccc1F ZINC001245316270 803698463 /nfs/dbraw/zinc/69/84/63/803698463.db2.gz KBUWPKDVKHHFBE-UHFFFAOYSA-N -1 1 284.290 3.305 20 0 CGADMM COc1c(F)cc(F)cc1NC(=O)c1cccc([O-])c1F ZINC001137276868 803706412 /nfs/dbraw/zinc/70/64/12/803706412.db2.gz ZRAPQSLJAMZJSZ-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc(O)c(F)c1F ZINC001212013853 814966623 /nfs/dbraw/zinc/96/66/23/814966623.db2.gz MIMOKNANZYVHQC-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM Cc1ccc(C)c([C@@H](C)NC(=O)c2ncc(C)cc2[O-])c1 ZINC001137948351 803805058 /nfs/dbraw/zinc/80/50/58/803805058.db2.gz NOTXGKIUOWNOQN-CYBMUJFWSA-N -1 1 284.359 3.203 20 0 CGADMM CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001212094184 814975431 /nfs/dbraw/zinc/97/54/31/814975431.db2.gz YSOQFSJWLWQCST-HIFRSBDPSA-N -1 1 293.388 3.146 20 0 CGADMM CCOc1ncc(F)c(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245826099 803981695 /nfs/dbraw/zinc/98/16/95/803981695.db2.gz BRASKWOHOCDVHT-UHFFFAOYSA-N -1 1 286.665 3.180 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3nc[nH]c3n2)c1Cl ZINC001245828291 803982973 /nfs/dbraw/zinc/98/29/73/803982973.db2.gz RYYJQCHFGYACSF-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM O=C1COc2cccc(-c3c(F)ccc([O-])c3Cl)c2N1 ZINC001245835016 803987804 /nfs/dbraw/zinc/98/78/04/803987804.db2.gz LIWCUKJXTKHPLO-UHFFFAOYSA-N -1 1 293.681 3.183 20 0 CGADMM COC(=O)c1ncc(-c2c(F)ccc([O-])c2Cl)cc1C ZINC001245833270 803988152 /nfs/dbraw/zinc/98/81/52/803988152.db2.gz XEHQCJSKMBAOTR-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CCCCc1cc(=O)n(C(=S)c2ccc(F)cc2)[n-]1 ZINC001245927100 804053983 /nfs/dbraw/zinc/05/39/83/804053983.db2.gz PSKMBBXMETYMHK-UHFFFAOYSA-N -1 1 278.352 3.294 20 0 CGADMM C[C@@H]1CCC[C@@H]1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001138944116 804078645 /nfs/dbraw/zinc/07/86/45/804078645.db2.gz SVNPOYUMJHWREE-VXGBXAGGSA-N -1 1 284.359 3.106 20 0 CGADMM Cc1[nH]c(CN2Cc3ccccc3C[C@H]2C)c(C)c1C(=O)[O-] ZINC001140496494 804446505 /nfs/dbraw/zinc/44/65/05/804446505.db2.gz IYOWFCVHPIMOCB-LLVKDONJSA-N -1 1 298.386 3.277 20 0 CGADMM [O-]c1ccc(CN2CCC[C@H]2C(F)(F)F)c(F)c1F ZINC001140888363 804543069 /nfs/dbraw/zinc/54/30/69/804543069.db2.gz QNEHBZGEPSKWDF-VIFPVBQESA-N -1 1 281.224 3.197 20 0 CGADMM CC1(C)CN(Cc2ccc([O-])c(F)c2F)CC(C)(C)O1 ZINC001140892588 804543661 /nfs/dbraw/zinc/54/36/61/804543661.db2.gz STRGDEIKOMQAGC-UHFFFAOYSA-N -1 1 285.334 3.060 20 0 CGADMM CCc1cccc(-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212480811 815035281 /nfs/dbraw/zinc/03/52/81/815035281.db2.gz JYIQKVIZJPIZPN-UHFFFAOYSA-N -1 1 267.288 3.067 20 0 CGADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142541581 804735392 /nfs/dbraw/zinc/73/53/92/804735392.db2.gz CGIXSHPREDTZBP-SCZZXKLOSA-N -1 1 269.291 3.435 20 0 CGADMM CC(C)(C)CNC(=S)Nc1cc(F)c([O-])c(F)c1 ZINC001247973898 804862430 /nfs/dbraw/zinc/86/24/30/804862430.db2.gz PDNYQOUSJRYHFY-UHFFFAOYSA-N -1 1 274.336 3.003 20 0 CGADMM CC1(C)C[C@@]1(C)CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001248171501 804889890 /nfs/dbraw/zinc/88/98/90/804889890.db2.gz RPJKTCRLXVMCRQ-HNNXBMFYSA-N -1 1 296.798 3.281 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@H]2c2ccncc2)c(F)c1 ZINC001144554820 805003995 /nfs/dbraw/zinc/00/39/95/805003995.db2.gz IRVDXCBCEQJUAK-MRXNPFEDSA-N -1 1 290.313 3.403 20 0 CGADMM CN(CCOc1ccccc1)Cc1c(F)cc([O-])cc1F ZINC001144554564 805005456 /nfs/dbraw/zinc/00/54/56/805005456.db2.gz AGKQQECQBHVKSQ-UHFFFAOYSA-N -1 1 293.313 3.181 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@H]2c2nccs2)cc1F ZINC001144657848 805025669 /nfs/dbraw/zinc/02/56/69/805025669.db2.gz KTBTVAJYBRFXOR-GFCCVEGCSA-N -1 1 296.342 3.464 20 0 CGADMM CC(C)OC1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144666461 805028153 /nfs/dbraw/zinc/02/81/53/805028153.db2.gz JKMGXLWEKVUJLM-UHFFFAOYSA-N -1 1 285.334 3.060 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H](C(F)(F)F)C2)cc1F ZINC001144665490 805029449 /nfs/dbraw/zinc/02/94/49/805029449.db2.gz BDHVWRNZYUYQAN-VIFPVBQESA-N -1 1 295.251 3.445 20 0 CGADMM CC1(C)C[C@H]1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001145043264 805062372 /nfs/dbraw/zinc/06/23/72/805062372.db2.gz WDXFYGQUJGCPHO-VIFPVBQESA-N -1 1 287.281 3.187 20 0 CGADMM C[C@H]1CCCC[C@@H]1CCNC(=O)c1cc(F)ccc1[O-] ZINC001146709336 805082272 /nfs/dbraw/zinc/08/22/72/805082272.db2.gz JVXRBOFGHYCWMQ-NWDGAFQWSA-N -1 1 279.355 3.478 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@@H](CC(C)C)C2)c1 ZINC001148547246 805194204 /nfs/dbraw/zinc/19/42/04/805194204.db2.gz ITDULIBVXAPDQW-ZDUSSCGKSA-N -1 1 289.375 3.021 20 0 CGADMM CC(C)Cc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC001150113141 805253659 /nfs/dbraw/zinc/25/36/59/805253659.db2.gz YCLWNDXXFBULPY-UHFFFAOYSA-N -1 1 270.332 3.238 20 0 CGADMM C[C@]1(CNC(=O)c2cc(Cl)ccc2[O-])C[C@H]2C[C@H]2C1 ZINC001150780639 805269278 /nfs/dbraw/zinc/26/92/78/805269278.db2.gz IPZZOSSVORGTGO-RTUWITSCSA-N -1 1 279.767 3.212 20 0 CGADMM [O-]c1cc(Nc2ncc3ccccc3n2)c(F)c(F)c1F ZINC001249958054 805324076 /nfs/dbraw/zinc/32/40/76/805324076.db2.gz HVWQTOQLBWKJFF-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM [O-]c1cc(Nc2noc3cccnc32)c(F)c(F)c1F ZINC001249958150 805324634 /nfs/dbraw/zinc/32/46/34/805324634.db2.gz JAQQXHDXWHIQTO-UHFFFAOYSA-N -1 1 281.193 3.089 20 0 CGADMM [O-]c1cc(Nc2noc3cnccc32)c(F)c(F)c1F ZINC001249960548 805326330 /nfs/dbraw/zinc/32/63/30/805326330.db2.gz NDVXXRLWUKCZGS-UHFFFAOYSA-N -1 1 281.193 3.089 20 0 CGADMM Nc1cc(F)c(F)cc1Nc1cc([O-])c(F)c(F)c1F ZINC001249963562 805331099 /nfs/dbraw/zinc/33/10/99/805331099.db2.gz ZUMXYRKLMJXZRG-UHFFFAOYSA-N -1 1 290.191 3.414 20 0 CGADMM COc1cc(CO)cc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249966538 805332563 /nfs/dbraw/zinc/33/25/63/805332563.db2.gz HNYOXSOZIYWQTB-UHFFFAOYSA-N -1 1 299.248 3.054 20 0 CGADMM C[C@H]1CCC[C@H](C2CN(C(=O)c3cc(F)ccc3[O-])C2)C1 ZINC001152403183 805348107 /nfs/dbraw/zinc/34/81/07/805348107.db2.gz TWCSDACFVKELSS-RYUDHWBXSA-N -1 1 291.366 3.430 20 0 CGADMM Nc1cccc2cn(-c3cc(Cl)c([O-])cc3F)nc21 ZINC001250022656 805373007 /nfs/dbraw/zinc/37/30/07/805373007.db2.gz RABSKVWBNRGCMW-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM C[C@H](NC(=O)c1c([O-])ccc2ccccc21)c1ccncc1 ZINC001153499112 805400047 /nfs/dbraw/zinc/40/00/47/805400047.db2.gz ZPGQPMXSZOAFPD-LBPRGKRZSA-N -1 1 292.338 3.431 20 0 CGADMM Cc1noc(C)c1Cc1cc([O-])c(F)c(F)c1F ZINC001250071674 805403394 /nfs/dbraw/zinc/40/33/94/805403394.db2.gz HYXOGWHXKHVTFN-UHFFFAOYSA-N -1 1 257.211 3.005 20 0 CGADMM COC(=O)c1ccc(Cc2ccc([O-])c(F)c2F)cc1 ZINC001250128191 805432273 /nfs/dbraw/zinc/43/22/73/805432273.db2.gz WNCWTMSNXXRWRK-UHFFFAOYSA-N -1 1 278.254 3.048 20 0 CGADMM Cc1cnc(C(=O)N[C@]2(C)C[C@H](C)CC(C)(C)C2)c([O-])c1 ZINC001154203902 805439429 /nfs/dbraw/zinc/43/94/29/805439429.db2.gz XFBLPNRNOVSPAH-SJKOYZFVSA-N -1 1 290.407 3.430 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N[C@H]3CC34CCC4)cc2c1 ZINC001154757867 805483131 /nfs/dbraw/zinc/48/31/31/805483131.db2.gz WNTDLNXEMSENLQ-INIZCTEOSA-N -1 1 297.354 3.226 20 0 CGADMM CC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])[C@H]1C ZINC001154795070 805487834 /nfs/dbraw/zinc/48/78/34/805487834.db2.gz ZUQUGLXVLYQGRD-VHSXEESVSA-N -1 1 267.756 3.306 20 0 CGADMM Nc1nc(Cl)cc2ncn(-c3ccc(Cl)c([O-])c3)c21 ZINC001212591625 815079797 /nfs/dbraw/zinc/07/97/97/815079797.db2.gz WHLGQCOWBHMXGN-UHFFFAOYSA-N -1 1 295.129 3.015 20 0 CGADMM Cc1ncc(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250228465 805504991 /nfs/dbraw/zinc/50/49/91/805504991.db2.gz BYCBADWQFHIEQM-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM CCn1cc(Nc2c(F)ccc([O-])c2Cl)c(C)n1 ZINC001250227969 805505196 /nfs/dbraw/zinc/50/51/96/805505196.db2.gz FDVMPDPAKHJGIX-UHFFFAOYSA-N -1 1 269.707 3.453 20 0 CGADMM O=C(Cc1cc(F)c([O-])c(F)c1)c1cccc(F)c1 ZINC001250235856 805511123 /nfs/dbraw/zinc/51/11/23/805511123.db2.gz FKOSNBYGGQITCH-UHFFFAOYSA-N -1 1 266.218 3.235 20 0 CGADMM NC(=O)c1cccc(Nc2c(F)ccc([O-])c2Cl)c1F ZINC001250237906 805513813 /nfs/dbraw/zinc/51/38/13/805513813.db2.gz RHFYDXJIHPEIAY-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM O=C(Cc1c(Cl)ccc([O-])c1F)Oc1ccccc1 ZINC001250259962 805529001 /nfs/dbraw/zinc/52/90/01/805529001.db2.gz FRQWCVVEKHABMZ-UHFFFAOYSA-N -1 1 280.682 3.333 20 0 CGADMM [O-]c1ccc(CCOCc2ccccc2)c(F)c1F ZINC001250295538 805548032 /nfs/dbraw/zinc/54/80/32/805548032.db2.gz GNSQRDISROUWLU-UHFFFAOYSA-N -1 1 264.271 3.430 20 0 CGADMM COCCOc1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001212639349 815090756 /nfs/dbraw/zinc/09/07/56/815090756.db2.gz HRNIEIKLROSACC-UHFFFAOYSA-N -1 1 295.285 3.439 20 0 CGADMM CCc1cc(-c2noc(-c3ccncc3[O-])n2)ccc1F ZINC001212721420 815114092 /nfs/dbraw/zinc/11/40/92/815114092.db2.gz POAZQFRHJIGUPV-UHFFFAOYSA-N -1 1 285.278 3.206 20 0 CGADMM C=Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259091107 807673805 /nfs/dbraw/zinc/67/38/05/807673805.db2.gz QJDQLEMLIKEIAR-UHFFFAOYSA-N -1 1 295.310 3.409 20 0 CGADMM C=Cc1cccc([N-]S(=O)(=O)c2cccc(OC)c2)c1 ZINC001259189759 807676641 /nfs/dbraw/zinc/67/66/41/807676641.db2.gz AVTIHHXOSPKFLB-UHFFFAOYSA-N -1 1 289.356 3.139 20 0 CGADMM O=S(=O)([N-]c1cccc(F)c1OC1CCCC1)C1CC1 ZINC001259276453 807677507 /nfs/dbraw/zinc/67/75/07/807677507.db2.gz LMWDKGYQFXLNIN-UHFFFAOYSA-N -1 1 299.367 3.051 20 0 CGADMM O=S(=O)(CC1CCCCC1)[N-][C@H]1CCCCC1(F)F ZINC001259621563 807683716 /nfs/dbraw/zinc/68/37/16/807683716.db2.gz KQJRFDKNMGOSFT-LBPRGKRZSA-N -1 1 295.395 3.064 20 0 CGADMM CC[C@@H]([N-]S(=O)(=O)C(F)F)c1cccc2ccccc21 ZINC001259961365 807695424 /nfs/dbraw/zinc/69/54/24/807695424.db2.gz GYCGTOPBKBAJMV-CYBMUJFWSA-N -1 1 299.342 3.433 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1cc(F)ccc1C(F)(F)F ZINC001260739237 807702142 /nfs/dbraw/zinc/70/21/42/807702142.db2.gz GJCVTVFMOAELNS-ZETCQYMHSA-N -1 1 299.289 3.385 20 0 CGADMM CN(C(=O)c1ccccc1[O-])c1cccc2cc[nH]c21 ZINC001170662374 807869930 /nfs/dbraw/zinc/86/99/30/807869930.db2.gz CRTORPNWCUJIEW-UHFFFAOYSA-N -1 1 266.300 3.150 20 0 CGADMM Cc1cnc(F)cc1Nc1c([O-])cc(F)cc1F ZINC001212850872 815156744 /nfs/dbraw/zinc/15/67/44/815156744.db2.gz NMFUTMOBEJYFGA-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM COC1CCC(=Nc2c([O-])cc(F)cc2F)CC1 ZINC001212879930 815172789 /nfs/dbraw/zinc/17/27/89/815172789.db2.gz MSUGXCYXPHBQNL-SNVBAGLBSA-N -1 1 255.264 3.165 20 0 CGADMM CO[C@@H]1CC=C(Nc2c([O-])cc(F)cc2F)CC1 ZINC001212879930 815172791 /nfs/dbraw/zinc/17/27/91/815172791.db2.gz MSUGXCYXPHBQNL-SNVBAGLBSA-N -1 1 255.264 3.165 20 0 CGADMM O=C(Cn1ccc2ccccc21)Nc1cccc(F)c1[O-] ZINC001171632640 808109570 /nfs/dbraw/zinc/10/95/70/808109570.db2.gz JEMKPHQEYDDVAK-UHFFFAOYSA-N -1 1 284.290 3.125 20 0 CGADMM CCSc1cccnc1C(=O)Nc1cccc(F)c1[O-] ZINC001171636707 808109721 /nfs/dbraw/zinc/10/97/21/808109721.db2.gz JDXRKOOXMMVXQD-UHFFFAOYSA-N -1 1 292.335 3.291 20 0 CGADMM COc1ccc(OC)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001173919058 808759801 /nfs/dbraw/zinc/75/98/01/808759801.db2.gz QOMPUSZCKNZOQT-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM CN(C)C(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174086371 808854831 /nfs/dbraw/zinc/85/48/31/808854831.db2.gz GAMKXNHPOASPTE-UHFFFAOYSA-N -1 1 292.285 3.116 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cccc2n[nH]cc21 ZINC001174343969 808964232 /nfs/dbraw/zinc/96/42/32/808964232.db2.gz HTECBRALPMZUSI-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cnc2[nH]ccc2c1 ZINC001174397867 808996010 /nfs/dbraw/zinc/99/60/10/808996010.db2.gz ICLFXSLCNAXVDV-UHFFFAOYSA-N -1 1 261.231 3.242 20 0 CGADMM COc1cc(Nc2cnc3cccc(C)n23)ccc1C(=O)[O-] ZINC001174682588 809128806 /nfs/dbraw/zinc/12/88/06/809128806.db2.gz DDRBRLVJBPDHLD-UHFFFAOYSA-N -1 1 297.314 3.093 20 0 CGADMM CCO[C@@H](C)n1cc(Nc2c([O-])cc(F)cc2F)cn1 ZINC001174697293 809134303 /nfs/dbraw/zinc/13/43/03/809134303.db2.gz SVXAGIIDSROPBH-QMMMGPOBSA-N -1 1 283.278 3.166 20 0 CGADMM C=CNc1cc(Br)c([O-])c(Br)c1 ZINC001174782758 809162236 /nfs/dbraw/zinc/16/22/36/809162236.db2.gz KPICMEDULYRWOO-UHFFFAOYSA-N -1 1 292.958 3.473 20 0 CGADMM O=c1ccn(-c2ccc(Nc3cccc(O)c3)cc2)[n-]1 ZINC001174895793 809194622 /nfs/dbraw/zinc/19/46/22/809194622.db2.gz RHTDDJGJLZQWBU-UHFFFAOYSA-N -1 1 267.288 3.027 20 0 CGADMM CN(C)c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001174961855 809217299 /nfs/dbraw/zinc/21/72/99/809217299.db2.gz CJYKSLDPDAFYKK-UHFFFAOYSA-N -1 1 264.275 3.480 20 0 CGADMM CN(C)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174963874 809219083 /nfs/dbraw/zinc/21/90/83/809219083.db2.gz XGWFSZWTZPYWTJ-UHFFFAOYSA-N -1 1 264.275 3.480 20 0 CGADMM CC[C@@H]([N-]C(=O)C(F)(F)Cc1ccccc1)C(F)(F)F ZINC001289949303 809397730 /nfs/dbraw/zinc/39/77/30/809397730.db2.gz LBVSNGMDKHUGDG-SNVBAGLBSA-N -1 1 295.251 3.322 20 0 CGADMM Cc1ccc2n[nH]cc2c1Nc1ccnc(Cl)c1[O-] ZINC001175523316 809441305 /nfs/dbraw/zinc/44/13/05/809441305.db2.gz GQXOXIURTHKKDS-UHFFFAOYSA-N -1 1 274.711 3.369 20 0 CGADMM CC(C)N(C(=O)c1cccc([O-])c1F)C1CCCC1 ZINC001293074353 809442677 /nfs/dbraw/zinc/44/26/77/809442677.db2.gz ASGPLPIROMOTTO-UHFFFAOYSA-N -1 1 265.328 3.325 20 0 CGADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1c([O-])cccc1F ZINC001294139758 809461785 /nfs/dbraw/zinc/46/17/85/809461785.db2.gz PUSUJOQDTZKGGS-WCQYABFASA-N -1 1 277.339 3.230 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCCc2ccccc2CC1 ZINC001298011775 809526338 /nfs/dbraw/zinc/52/63/38/809526338.db2.gz YCJULRVZBXMMRI-UHFFFAOYSA-N -1 1 299.345 3.162 20 0 CGADMM Cc1ccc2c(c1)CN(C(=O)c1ccc([O-])cn1)C(C)(C)C2 ZINC001298426941 809533042 /nfs/dbraw/zinc/53/30/42/809533042.db2.gz RAPPLKWRBMKFEV-UHFFFAOYSA-N -1 1 296.370 3.073 20 0 CGADMM COCCOc1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001175790028 809543170 /nfs/dbraw/zinc/54/31/70/809543170.db2.gz IWSRFGISIHCMFH-UHFFFAOYSA-N -1 1 295.285 3.439 20 0 CGADMM Cc1oc(C)c(C(=O)Nc2cc(F)cc(F)c2[O-])c1C ZINC001299581190 809552180 /nfs/dbraw/zinc/55/21/80/809552180.db2.gz NSROTYCWSPDZIB-UHFFFAOYSA-N -1 1 281.258 3.441 20 0 CGADMM CC[C@H](CCc1ccccc1)NC(=O)c1ncc(C)cc1[O-] ZINC001300850368 809574733 /nfs/dbraw/zinc/57/47/33/809574733.db2.gz YVBVYFZVLPMSBI-OAHLLOKOSA-N -1 1 298.386 3.237 20 0 CGADMM CC1(C)CN(C(=O)c2ccc(F)c([O-])c2)[C@H]1c1ccco1 ZINC001302247025 809591643 /nfs/dbraw/zinc/59/16/43/809591643.db2.gz KKXKZLKPFJKAQP-AWEZNQCLSA-N -1 1 289.306 3.348 20 0 CGADMM C[C@H]1CC[C@H](CC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001303298464 809608390 /nfs/dbraw/zinc/60/83/90/809608390.db2.gz BMPZFKMLXLZZDB-QWRGUYRKSA-N -1 1 281.783 3.488 20 0 CGADMM Cc1noc(C)c1[N-]c1nc(Cl)cnc1Cl ZINC001176179554 809641466 /nfs/dbraw/zinc/64/14/66/809641466.db2.gz XWOCCHJFNRPLRZ-UHFFFAOYSA-N -1 1 259.096 3.132 20 0 CGADMM O=C(NCC1(CC2CC2)CC1)c1ccc(Cl)cc1[O-] ZINC001176276078 809659327 /nfs/dbraw/zinc/65/93/27/809659327.db2.gz HYHWGMRVIALFGD-UHFFFAOYSA-N -1 1 279.767 3.356 20 0 CGADMM CN(C)c1ncc(Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001176332107 809671254 /nfs/dbraw/zinc/67/12/54/809671254.db2.gz JOQIHZHYOYJEAY-UHFFFAOYSA-N -1 1 299.161 3.299 20 0 CGADMM Cc1cc(Nc2csc(C(=O)[O-])c2)c2ccccc2n1 ZINC001176435400 809696087 /nfs/dbraw/zinc/69/60/87/809696087.db2.gz DZUZJVLYNLKTJT-UHFFFAOYSA-N -1 1 284.340 3.468 20 0 CGADMM COc1ccc(O)cc1Nc1c([O-])cc(F)cc1F ZINC001176577829 809721469 /nfs/dbraw/zinc/72/14/69/809721469.db2.gz KURPMRFJKARSOU-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc[nH]c2=S)c1F ZINC001176663216 809737505 /nfs/dbraw/zinc/73/75/05/809737505.db2.gz DUZBEPBKNWQMPM-UHFFFAOYSA-N -1 1 272.251 3.237 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc3nccnc3c2)c1F ZINC001176669637 809738219 /nfs/dbraw/zinc/73/82/19/809738219.db2.gz JHSKNVJAVZKTPI-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccc(CO)c2F)c1F ZINC001176673740 809740887 /nfs/dbraw/zinc/74/08/87/809740887.db2.gz YXAIFBGBESKFNY-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM Nc1ccc2c(c1)CCCN2c1c(F)cc(F)c([O-])c1F ZINC001176674822 809741251 /nfs/dbraw/zinc/74/12/51/809741251.db2.gz XDBHFILNPUKGKF-UHFFFAOYSA-N -1 1 294.276 3.476 20 0 CGADMM COC1(CNC(=O)c2c([O-])cccc2F)CCCCCC1 ZINC001180171707 809980810 /nfs/dbraw/zinc/98/08/10/809980810.db2.gz WBUKJYQVFSLNQO-UHFFFAOYSA-N -1 1 295.354 3.001 20 0 CGADMM Cc1nn(C)c(C)c1[N-]c1nc2cccc(F)c2o1 ZINC001184491757 810202905 /nfs/dbraw/zinc/20/29/05/810202905.db2.gz VBXVDKBYOZIHGL-UHFFFAOYSA-N -1 1 260.272 3.061 20 0 CGADMM CCc1nccc(C)c1NC(=O)c1ccc([O-])c(F)c1 ZINC001186209020 810321170 /nfs/dbraw/zinc/32/11/70/810321170.db2.gz MZYQNYLQHPPCJE-UHFFFAOYSA-N -1 1 274.295 3.049 20 0 CGADMM O=C(Nc1ccccc1-c1ncc[nH]1)c1ccc([O-])c(F)c1 ZINC001186226020 810321372 /nfs/dbraw/zinc/32/13/72/810321372.db2.gz JZZOGHPVHWYGSB-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C(Nc1ccccc1-c1cc[nH]n1)c1ccc([O-])c(F)c1 ZINC001186225460 810321564 /nfs/dbraw/zinc/32/15/64/810321564.db2.gz FWWKYOQIOKGMDM-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1ccc([O-])c(F)c1)C2(C)C ZINC001186242621 810323178 /nfs/dbraw/zinc/32/31/78/810323178.db2.gz LOQVUBHWXPGQBO-PQFRYHKHSA-N -1 1 291.366 3.332 20 0 CGADMM Cc1c(O)ccc(NC(=O)c2ncc(C(F)(F)F)[n-]2)c1C ZINC001188288876 810473924 /nfs/dbraw/zinc/47/39/24/810473924.db2.gz OJRIPFOJWVVAGH-UHFFFAOYSA-N -1 1 299.252 3.003 20 0 CGADMM Cc1c(O)ccc(NC(=O)c2nc(C(F)(F)F)c[n-]2)c1C ZINC001188288876 810473928 /nfs/dbraw/zinc/47/39/28/810473928.db2.gz OJRIPFOJWVVAGH-UHFFFAOYSA-N -1 1 299.252 3.003 20 0 CGADMM Cc1nc(S[C@@H]2CCC(C)(C)C2)[n-]c(=O)c1C ZINC001189060854 810540478 /nfs/dbraw/zinc/54/04/78/810540478.db2.gz FNKNWLIKJPGJLG-SNVBAGLBSA-N -1 1 252.383 3.470 20 0 CGADMM Cc1nc(SCCCC2CCC2)[n-]c(=O)c1C ZINC001189061299 810540567 /nfs/dbraw/zinc/54/05/67/810540567.db2.gz MZJFPIAGVZSPBI-UHFFFAOYSA-N -1 1 252.383 3.471 20 0 CGADMM Cc1cccc(CNC(=O)Nc2c([O-])cccc2F)c1 ZINC001190994852 810661886 /nfs/dbraw/zinc/66/18/86/810661886.db2.gz OCAVHLFPRZHOJH-UHFFFAOYSA-N -1 1 274.295 3.161 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc([O-])cc(F)c1F ZINC001192651715 810812965 /nfs/dbraw/zinc/81/29/65/810812965.db2.gz KRAHOMSZCNPNIY-DTORHVGOSA-N -1 1 269.291 3.074 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)OC1CCCC1 ZINC001193555604 810907059 /nfs/dbraw/zinc/90/70/59/810907059.db2.gz CSESJFRFAHJCFT-UHFFFAOYSA-N -1 1 257.236 3.162 20 0 CGADMM [O-]c1c(F)cc(Nc2cccc(CO)c2)cc1Cl ZINC001214490441 815417420 /nfs/dbraw/zinc/41/74/20/815417420.db2.gz VUNXSFYFHMOAKB-UHFFFAOYSA-N -1 1 267.687 3.421 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(Cl)cc1C ZINC001195449497 811255992 /nfs/dbraw/zinc/25/59/92/811255992.db2.gz YBXQLHCISOCWKG-UHFFFAOYSA-N -1 1 272.757 3.091 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc2oc(C)cc2c1 ZINC001195490063 811262363 /nfs/dbraw/zinc/26/23/63/811262363.db2.gz CHNQQRNSODSBFE-UHFFFAOYSA-N -1 1 278.333 3.184 20 0 CGADMM CCCCNC(=S)Nc1cc([O-])c(Cl)cc1F ZINC001200457388 811693621 /nfs/dbraw/zinc/69/36/21/811693621.db2.gz QEDXOVNAXINAOT-UHFFFAOYSA-N -1 1 276.764 3.271 20 0 CGADMM [O-]c1c(Br)c(F)ccc1Nc1cncc(O)c1 ZINC001201642653 811930052 /nfs/dbraw/zinc/93/00/52/811930052.db2.gz YFXGUHRNSMPGDO-UHFFFAOYSA-N -1 1 299.099 3.138 20 0 CGADMM O=C(Nc1ccc(F)cc1)Nc1cc(F)cc(F)c1[O-] ZINC001202358364 812074162 /nfs/dbraw/zinc/07/41/62/812074162.db2.gz NZULFYQLSRTDOW-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM O=C(Nc1ccc(F)cc1)Nc1c(F)cc([O-])cc1F ZINC001202357148 812074327 /nfs/dbraw/zinc/07/43/27/812074327.db2.gz KXCCFBDWXVLIJV-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM Cc1coc([N-]c2c(F)cc(C3OCCO3)cc2F)n1 ZINC001215428805 815519077 /nfs/dbraw/zinc/51/90/77/815519077.db2.gz NSYMWKWUNBXYEJ-UHFFFAOYSA-N -1 1 282.246 3.050 20 0 CGADMM Cc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(C)n1 ZINC001203379638 812333341 /nfs/dbraw/zinc/33/33/41/812333341.db2.gz DRJFUBSWURHKJI-UHFFFAOYSA-N -1 1 280.331 3.333 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3nsnc3c2)cc1F ZINC001215572106 815537822 /nfs/dbraw/zinc/53/78/22/815537822.db2.gz YXZIPMMIYDBPIW-UHFFFAOYSA-N -1 1 279.271 3.419 20 0 CGADMM COc1cc(C)cc(F)c1[N-]c1nonc1C1CC1 ZINC001215707351 815563124 /nfs/dbraw/zinc/56/31/24/815563124.db2.gz BYDNWRLQPNRZRE-UHFFFAOYSA-N -1 1 263.272 3.147 20 0 CGADMM Cc1ccc(Nc2ccnc(Cl)c2[O-])c(O)c1 ZINC001206268602 813265158 /nfs/dbraw/zinc/26/51/58/813265158.db2.gz WIHDAUKJKQQFSR-UHFFFAOYSA-N -1 1 250.685 3.198 20 0 CGADMM Cc1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1O ZINC001210188700 814328642 /nfs/dbraw/zinc/32/86/42/814328642.db2.gz QDMCDENNXNWDQC-UHFFFAOYSA-N -1 1 283.283 3.256 20 0 CGADMM COc1ccccc1-c1noc(-c2ccc(F)c([O-])c2)n1 ZINC001215842711 815612192 /nfs/dbraw/zinc/61/21/92/815612192.db2.gz QIZCZKVEWWTZAJ-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc2ocnc2c1 ZINC001210574531 814536989 /nfs/dbraw/zinc/53/69/89/814536989.db2.gz YSCVIOCHGMAQLK-UHFFFAOYSA-N -1 1 261.668 3.325 20 0 CGADMM c1cnn(-c2ccccc2[N-]c2nnc(-c3ccco3)o2)c1 ZINC001210730199 814600912 /nfs/dbraw/zinc/60/09/12/814600912.db2.gz ALYPYEAWJFRIRH-UHFFFAOYSA-N -1 1 293.286 3.259 20 0 CGADMM CCN(C)c1nc(-c2cccc([O-])c2Cl)ncc1C ZINC001242798237 823135870 /nfs/dbraw/zinc/13/58/70/823135870.db2.gz JVLYETKRWDUXJS-UHFFFAOYSA-N -1 1 277.755 3.267 20 0 CGADMM CC(C)OC(=O)c1ccc(-c2cccc([O-])c2Cl)nn1 ZINC001242798286 823135886 /nfs/dbraw/zinc/13/58/86/823135886.db2.gz PXDJZDXKWFNQJM-UHFFFAOYSA-N -1 1 292.722 3.068 20 0 CGADMM CC(C)Oc1cnc(-c2cccc([O-])c2Cl)cn1 ZINC001242800496 823136429 /nfs/dbraw/zinc/13/64/29/823136429.db2.gz IDJUMLHDJFRVBW-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM O=C1C=CC(=O)N1c1ccccc1-c1cccc([O-])c1Cl ZINC001242800488 823136458 /nfs/dbraw/zinc/13/64/58/823136458.db2.gz JAQNVLHFLGUZEJ-UHFFFAOYSA-N -1 1 299.713 3.142 20 0 CGADMM [O-]c1cccc(-c2cccc(-c3nc[nH]n3)c2)c1Cl ZINC001242800519 823136501 /nfs/dbraw/zinc/13/65/01/823136501.db2.gz JQZXCODUDQUOAT-UHFFFAOYSA-N -1 1 271.707 3.498 20 0 CGADMM Cc1cc(C(N)=O)ccc1-c1cccc([O-])c1Cl ZINC001242801581 823137213 /nfs/dbraw/zinc/13/72/13/823137213.db2.gz AXZIGVMHVKHRDS-UHFFFAOYSA-N -1 1 261.708 3.120 20 0 CGADMM Cc1nnc2cc(-c3cccc([O-])c3Cl)ccn12 ZINC001242800828 823137306 /nfs/dbraw/zinc/13/73/06/823137306.db2.gz PORYPGMCNNZHPO-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM COC(=O)c1cc(F)ncc1-c1cccc([O-])c1Cl ZINC001242802989 823137676 /nfs/dbraw/zinc/13/76/76/823137676.db2.gz UTSCOFUBFJRPBJ-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM COC(=O)c1nccc(-c2cccc([O-])c2Cl)c1C ZINC001242802437 823137968 /nfs/dbraw/zinc/13/79/68/823137968.db2.gz HNGCCVZIQOGQFJ-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM COc1cnccc1Nc1c([S-])cccc1Cl ZINC001211265715 814867393 /nfs/dbraw/zinc/86/73/93/814867393.db2.gz SEYYNEZSVBCKIO-UHFFFAOYSA-N -1 1 266.753 3.198 20 0 CGADMM COc1ccc(-c2cc(F)c([O-])cc2F)c(F)c1 ZINC001211340565 814881928 /nfs/dbraw/zinc/88/19/28/814881928.db2.gz WSBXCLBURXNADZ-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM C[C@@H]1C(=O)Nc2cc(-c3cc(F)c([O-])cc3F)ccc21 ZINC001211339824 814882184 /nfs/dbraw/zinc/88/21/84/814882184.db2.gz PTERNFNSLNOTHL-ZETCQYMHSA-N -1 1 275.254 3.393 20 0 CGADMM O=c1ccc2cc(-c3cc(F)c([O-])cc3F)ccc2o1 ZINC001211350136 814883195 /nfs/dbraw/zinc/88/31/95/814883195.db2.gz NFBRPZTYMMDHLM-UHFFFAOYSA-N -1 1 274.222 3.444 20 0 CGADMM Cc1cc(-c2cc(F)c([O-])cc2F)cn2ccnc12 ZINC001211349806 814883392 /nfs/dbraw/zinc/88/33/92/814883392.db2.gz GTTQADUHEOSMPO-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM Nc1c(F)c(F)c(F)cc1Nc1ccnc(Cl)c1[O-] ZINC001216010750 815660732 /nfs/dbraw/zinc/66/07/32/815660732.db2.gz NGCOKFNBGOWIDU-UHFFFAOYSA-N -1 1 289.644 3.184 20 0 CGADMM COCn1cc(Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001216575646 815861124 /nfs/dbraw/zinc/86/11/24/815861124.db2.gz SFJWXDBRGZUCKH-UHFFFAOYSA-N -1 1 288.134 3.243 20 0 CGADMM Cc1cccc2ncc(Nc3cccc(C(=O)[O-])c3C)n21 ZINC001216659382 815887740 /nfs/dbraw/zinc/88/77/40/815887740.db2.gz PRTYBKCGXFMJKD-UHFFFAOYSA-N -1 1 281.315 3.393 20 0 CGADMM CC(C)(C)OC(=O)n1ccc([N-]c2ncc(F)s2)n1 ZINC001216670985 815890098 /nfs/dbraw/zinc/89/00/98/815890098.db2.gz KLRBZVMKFCOVRN-UHFFFAOYSA-N -1 1 284.316 3.006 20 0 CGADMM COc1c(C(=O)[O-])cccc1-c1cc2[nH]ccc2c(C)n1 ZINC001242922072 823172515 /nfs/dbraw/zinc/17/25/15/823172515.db2.gz UAKMFBUXMMQIHD-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM COc1c(C(=O)[O-])cccc1-c1cc2nc[nH]c2cc1F ZINC001242924316 823173494 /nfs/dbraw/zinc/17/34/94/823173494.db2.gz RASVKKKPZWGZPZ-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM O=c1ccc(-c2cc(F)c([O-])cc2F)cn1C1CCC1 ZINC001222083152 816342796 /nfs/dbraw/zinc/34/27/96/816342796.db2.gz QEUNLXYWVJCBHZ-UHFFFAOYSA-N -1 1 277.270 3.224 20 0 CGADMM CC/C=C(\C)[C@H](CC)OCCCC[P@](=O)([O-])O ZINC001225018618 816933140 /nfs/dbraw/zinc/93/31/40/816933140.db2.gz CIUSYSSOXKRCMW-OBIHZWKSSA-N -1 1 264.302 3.096 20 0 CGADMM CC[C@H](C)CC[C@@H](C)OCCCC[P@](=O)([O-])O ZINC001225018683 816933251 /nfs/dbraw/zinc/93/32/51/816933251.db2.gz FJJXWXCTTMXWEM-NWDGAFQWSA-N -1 1 266.318 3.176 20 0 CGADMM CCCCC[C@H](CC)OCCCC[P@](=O)([O-])O ZINC001225022732 816933879 /nfs/dbraw/zinc/93/38/79/816933879.db2.gz RBPUAIXLWRFQFA-LBPRGKRZSA-N -1 1 266.318 3.320 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H](C)C(F)(F)F)c12 ZINC001226490234 817374587 /nfs/dbraw/zinc/37/45/87/817374587.db2.gz PXWBGJGGBIDIRK-SSDOTTSWSA-N -1 1 288.221 3.137 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H](C)c3cccnc3)c12 ZINC001226490198 817375144 /nfs/dbraw/zinc/37/51/44/817375144.db2.gz OSZUYTCRIKEDQH-NSHDSACASA-N -1 1 297.310 3.342 20 0 CGADMM CCC[C@H](Oc1cnc[n-]c1=O)c1ccc(OC)cc1 ZINC001227051200 817544322 /nfs/dbraw/zinc/54/43/22/817544322.db2.gz IQCRZYVJSLRZCF-ZDUSSCGKSA-N -1 1 274.320 3.111 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cc(C)cnc3F)cc2[n-]1 ZINC001243167673 823271011 /nfs/dbraw/zinc/27/10/11/823271011.db2.gz VCNSSFOEMVYJBI-UHFFFAOYSA-N -1 1 299.305 3.249 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cc(C)cnc3F)ccc2[n-]1 ZINC001243167673 823271016 /nfs/dbraw/zinc/27/10/16/823271016.db2.gz VCNSSFOEMVYJBI-UHFFFAOYSA-N -1 1 299.305 3.249 20 0 CGADMM COc1ccccc1[C@H](C)Oc1[n-]c(=O)nc(C)c1Cl ZINC001227117698 817564000 /nfs/dbraw/zinc/56/40/00/817564000.db2.gz YQBDTDRJAVKXBL-VIFPVBQESA-N -1 1 294.738 3.293 20 0 CGADMM O=c1ncc(Br)c(O[C@H]2CCC=CCCC2)[n-]1 ZINC001227138500 817570098 /nfs/dbraw/zinc/57/00/98/817570098.db2.gz QLGLLZCYJPRPSC-VIFPVBQESA-N -1 1 299.168 3.212 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@H]1CCC=CCCC1 ZINC001227169010 817578024 /nfs/dbraw/zinc/57/80/24/817578024.db2.gz OQMSNLLAVWQQQG-AWEZNQCLSA-N -1 1 290.359 3.489 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1cccc(F)c1F ZINC001227385614 817636948 /nfs/dbraw/zinc/63/69/48/817636948.db2.gz KKDIQSGVBHUIPU-ZCFIWIBFSA-N -1 1 286.278 3.323 20 0 CGADMM Fc1cnc(=S)[n-]c1O[C@@H]1CCC=CCCC1 ZINC001227384430 817637522 /nfs/dbraw/zinc/63/75/22/817637522.db2.gz ZIFMYWWMJNFIAL-SECBINFHSA-N -1 1 254.330 3.172 20 0 CGADMM Cc1ccc(-c2cccn3cncc23)cc1C(=O)[O-] ZINC001243194238 823284164 /nfs/dbraw/zinc/28/41/64/823284164.db2.gz BSOICPLRYXVOAP-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM S=c1nc2cnccc2c(O[C@H]2C=CCCC2)[n-]1 ZINC001227881138 817742435 /nfs/dbraw/zinc/74/24/35/817742435.db2.gz KKGAZNAJXFXPNU-VIFPVBQESA-N -1 1 259.334 3.175 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)nc2cnccc21)c1nccs1 ZINC001227886058 817743549 /nfs/dbraw/zinc/74/35/49/817743549.db2.gz QASIGBVORZPPOW-SSDOTTSWSA-N -1 1 290.373 3.284 20 0 CGADMM CC1(C)C[C@@H](Oc2[n-]c(=S)nc3cnccc32)CCO1 ZINC001227885145 817743937 /nfs/dbraw/zinc/74/39/37/817743937.db2.gz KZJMLHFMFJVOBX-VIFPVBQESA-N -1 1 291.376 3.024 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1OC1CCC(OC)CC1 ZINC001228554417 817936736 /nfs/dbraw/zinc/93/67/36/817936736.db2.gz IOIKYJUXQZRZKX-UHFFFAOYSA-N -1 1 294.347 3.027 20 0 CGADMM S=c1nc2ccccc2c(O[C@@H]2CCc3cccnc32)[n-]1 ZINC001228766328 818002865 /nfs/dbraw/zinc/00/28/65/818002865.db2.gz QQNBISPEJBLOIQ-CYBMUJFWSA-N -1 1 295.367 3.380 20 0 CGADMM [O-]c1cccnc1-c1ncccc1OC1CC(F)(F)C1 ZINC001231199643 818055694 /nfs/dbraw/zinc/05/56/94/818055694.db2.gz GHDKBYMRGXHCAX-UHFFFAOYSA-N -1 1 278.258 3.026 20 0 CGADMM [O-]c1cccc(CN2CCC(F)(F)[C@@H](F)C2)c1Cl ZINC001232784274 818439760 /nfs/dbraw/zinc/43/97/60/818439760.db2.gz JKDZVBAIHMLDFU-JTQLQIEISA-N -1 1 279.689 3.225 20 0 CGADMM C[C@@H]1CN(Cc2cc([O-])c(F)c(F)c2)CCC1(F)F ZINC001232971240 818487566 /nfs/dbraw/zinc/48/75/66/818487566.db2.gz YYUXPVALIBVXHC-MRVPVSSYSA-N -1 1 277.261 3.148 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC001233035282 818504132 /nfs/dbraw/zinc/50/41/32/818504132.db2.gz CSVBKPXLGCTASZ-SECBINFHSA-N -1 1 294.704 3.215 20 0 CGADMM [O-]c1ccc(-c2ccc(N3CCCCC3)nn2)c(F)c1F ZINC001243339644 823352692 /nfs/dbraw/zinc/35/26/92/823352692.db2.gz RHWRNEHEATVCDZ-UHFFFAOYSA-N -1 1 291.301 3.118 20 0 CGADMM [O-]c1ccc(-c2ncc(F)c3cc[nH]c32)c(F)c1F ZINC001243340268 823353982 /nfs/dbraw/zinc/35/39/82/823353982.db2.gz RZSNKOYSRLJVRL-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM [O-]c1ccc(-c2cccc3cnncc32)c(F)c1F ZINC001243341503 823356092 /nfs/dbraw/zinc/35/60/92/823356092.db2.gz RQLMNRBGMOXAEF-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1cccc(-c2ccc([O-])c(F)c2F)c1F ZINC001243342544 823356977 /nfs/dbraw/zinc/35/69/77/823356977.db2.gz HYKBUDXVGRISCE-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CC(C)n1ccc(-c2ccc([O-])c(F)c2F)cc1=O ZINC001243342895 823358065 /nfs/dbraw/zinc/35/80/65/823358065.db2.gz OJUAWTCNPCDOHC-UHFFFAOYSA-N -1 1 265.259 3.080 20 0 CGADMM Cc1nc2c(ncc(-c3ccc([O-])c(F)c3F)c2C)[nH]1 ZINC001243343662 823358351 /nfs/dbraw/zinc/35/83/51/823358351.db2.gz LUQXJNPLFWYHMV-UHFFFAOYSA-N -1 1 275.258 3.226 20 0 CGADMM CCC[C@H](CC)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234040293 818764558 /nfs/dbraw/zinc/76/45/58/818764558.db2.gz XVLPEOOOKDZDTH-JTQLQIEISA-N -1 1 276.336 3.307 20 0 CGADMM CCC[C@H](CC)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234040293 818764564 /nfs/dbraw/zinc/76/45/64/818764564.db2.gz XVLPEOOOKDZDTH-JTQLQIEISA-N -1 1 276.336 3.307 20 0 CGADMM COC(=O)c1cccc2[n-]c(O[C@@H](C)c3ccccc3)nc21 ZINC001234039788 818764764 /nfs/dbraw/zinc/76/47/64/818764764.db2.gz RRVYVVHBOXPPFI-NSHDSACASA-N -1 1 296.326 3.490 20 0 CGADMM COC(=O)c1cccc2nc(O[C@@H](C)c3ccccc3)[n-]c21 ZINC001234039788 818764769 /nfs/dbraw/zinc/76/47/69/818764769.db2.gz RRVYVVHBOXPPFI-NSHDSACASA-N -1 1 296.326 3.490 20 0 CGADMM CCCC[C@@H](C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234038640 818764935 /nfs/dbraw/zinc/76/49/35/818764935.db2.gz DCENFWKFVXYDKC-SNVBAGLBSA-N -1 1 276.336 3.307 20 0 CGADMM CCCC[C@@H](C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234038640 818764943 /nfs/dbraw/zinc/76/49/43/818764943.db2.gz DCENFWKFVXYDKC-SNVBAGLBSA-N -1 1 276.336 3.307 20 0 CGADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@@H](CC(C)C)C(C)C ZINC001234609658 818891585 /nfs/dbraw/zinc/89/15/85/818891585.db2.gz PAUXVGQFUQUFGD-LBPRGKRZSA-N -1 1 299.342 3.162 20 0 CGADMM Cc1c(Cl)c(-c2nccc3c2CCN3)ccc1C(=O)[O-] ZINC001236115241 819326362 /nfs/dbraw/zinc/32/63/62/819326362.db2.gz ZSXIMYXGQMYLER-UHFFFAOYSA-N -1 1 288.734 3.377 20 0 CGADMM CCOC(=O)c1ccc(C)c(-c2c(F)ccc(C)c2[O-])n1 ZINC001236390282 819446502 /nfs/dbraw/zinc/44/65/02/819446502.db2.gz IJQCONKBDLGRDA-UHFFFAOYSA-N -1 1 289.306 3.387 20 0 CGADMM Cc1ccc(F)c(-c2ccc3ccc(N)nc3n2)c1[O-] ZINC001236402824 819451918 /nfs/dbraw/zinc/45/19/18/819451918.db2.gz OADDHXPLBYAXCF-UHFFFAOYSA-N -1 1 269.279 3.032 20 0 CGADMM O=C([O-])c1ccc(-c2cc3nc[nH]c3cc2F)c(F)c1F ZINC001243513672 823426858 /nfs/dbraw/zinc/42/68/58/823426858.db2.gz IYYHXXXHYUNCTD-UHFFFAOYSA-N -1 1 292.216 3.345 20 0 CGADMM CC1(c2ccnc(-c3ccc(Cl)c([O-])c3)c2)OCCO1 ZINC001243578207 823452155 /nfs/dbraw/zinc/45/21/55/823452155.db2.gz DMLYIHZAKISPFX-UHFFFAOYSA-N -1 1 291.734 3.327 20 0 CGADMM [O-]c1cc(-c2ncc(C(F)F)cn2)ccc1Cl ZINC001243577882 823452187 /nfs/dbraw/zinc/45/21/87/823452187.db2.gz BHBKWLUXYSAVSA-UHFFFAOYSA-N -1 1 256.639 3.440 20 0 CGADMM Cc1cc(C(=O)N(C)C)ncc1-c1ccc(Cl)c([O-])c1 ZINC001243581144 823453994 /nfs/dbraw/zinc/45/39/94/823453994.db2.gz DYGGYCSHDGTUDM-UHFFFAOYSA-N -1 1 290.750 3.118 20 0 CGADMM O=c1cc(-c2ccc(Cl)c([O-])c2)ccn1-c1cccnc1 ZINC001243581875 823454003 /nfs/dbraw/zinc/45/40/03/823454003.db2.gz KYWQCSRTJVCBFS-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM COc1ccc(-c2ccc(Cl)c([O-])c2)nc1F ZINC001243581235 823454039 /nfs/dbraw/zinc/45/40/39/823454039.db2.gz NAROZDLUJQBBGM-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM COC(=O)COc1ccc(-c2ccc(Cl)c([O-])c2)cc1 ZINC001243582651 823454936 /nfs/dbraw/zinc/45/49/36/823454936.db2.gz BTFWWMVDEKBYTR-UHFFFAOYSA-N -1 1 292.718 3.264 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(F)c(F)c3)ccc2[n-]1 ZINC001239584802 820433260 /nfs/dbraw/zinc/43/32/60/820433260.db2.gz ZHWLNIUPNBMVFR-UHFFFAOYSA-N -1 1 288.253 3.295 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(F)c(F)c3)cc2[n-]1 ZINC001239584802 820433265 /nfs/dbraw/zinc/43/32/65/820433265.db2.gz ZHWLNIUPNBMVFR-UHFFFAOYSA-N -1 1 288.253 3.295 20 0 CGADMM CCOC(=O)c1cnc(-c2cc(F)ccc2[O-])c(C)c1 ZINC001240693521 821248600 /nfs/dbraw/zinc/24/86/00/821248600.db2.gz SXDMBFSASVDDIX-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM CSc1cc(-c2cc(F)ccc2[O-])ncc1F ZINC001240693265 821248775 /nfs/dbraw/zinc/24/87/75/821248775.db2.gz KCTKIUBTARUMKA-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM CSc1ccnc(-c2cc(F)ccc2[O-])c1F ZINC001240693584 821249255 /nfs/dbraw/zinc/24/92/55/821249255.db2.gz GRBAJZNZNRASBY-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM [O-]c1ccc(F)cc1-c1cnc2cc(F)c(F)cc2n1 ZINC001240696008 821252874 /nfs/dbraw/zinc/25/28/74/821252874.db2.gz WDEYUBCGEURJCR-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccnc(C)c3)ccc2[n-]1 ZINC001240719458 821274283 /nfs/dbraw/zinc/27/42/83/821274283.db2.gz MHNXGRZNHRYPIE-UHFFFAOYSA-N -1 1 281.315 3.110 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccnc(C)c3)cc2[n-]1 ZINC001240719458 821274289 /nfs/dbraw/zinc/27/42/89/821274289.db2.gz MHNXGRZNHRYPIE-UHFFFAOYSA-N -1 1 281.315 3.110 20 0 CGADMM [O-]c1ccc(-c2nncc3ccc(F)cc32)cc1F ZINC001240781604 821320784 /nfs/dbraw/zinc/32/07/84/821320784.db2.gz BPFXQQMVUDVOQB-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Cc1cc(-c2ccc([O-])c(F)c2)nc(C(F)(F)F)n1 ZINC001240782901 821322230 /nfs/dbraw/zinc/32/22/30/821322230.db2.gz JGNMCZMPPPPDRN-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM Cc1nc(C2CC2)nc(-c2ccc([O-])c(F)c2)c1F ZINC001240782798 821322361 /nfs/dbraw/zinc/32/23/61/821322361.db2.gz JSFSLYCDTVGVQJ-UHFFFAOYSA-N -1 1 262.259 3.313 20 0 CGADMM Cc1nc2ncc(-c3ccc(C(=O)[O-])s3)c(C)c2[nH]1 ZINC001240849379 821369555 /nfs/dbraw/zinc/36/95/55/821369555.db2.gz PPPMAOHIJARHQT-UHFFFAOYSA-N -1 1 273.317 3.001 20 0 CGADMM CN(C)Cc1cc(-c2ccc(CC(=O)[O-])cc2)ccc1F ZINC001240977693 821461334 /nfs/dbraw/zinc/46/13/34/821461334.db2.gz PAHUGRKZWUBACW-UHFFFAOYSA-N -1 1 287.334 3.181 20 0 CGADMM CCCc1nccnc1-c1c(F)cc([O-])cc1F ZINC001241118414 821573388 /nfs/dbraw/zinc/57/33/88/821573388.db2.gz DPRWORXEHJBNGW-UHFFFAOYSA-N -1 1 250.248 3.080 20 0 CGADMM Cn1cnc2cccc(-c3c(F)cc([O-])cc3F)c21 ZINC001241125045 821581664 /nfs/dbraw/zinc/58/16/64/821581664.db2.gz QOVPVMUQRBTXTI-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM [O-]c1cc(F)cc(-c2nccc(-c3cccnc3F)n2)c1 ZINC001241262763 821682730 /nfs/dbraw/zinc/68/27/30/821682730.db2.gz SWRLWZNXDVWLMO-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM COc1cccc2ncnc(-c3c(F)ccc([O-])c3F)c21 ZINC001241290209 821706074 /nfs/dbraw/zinc/70/60/74/821706074.db2.gz MUDXVQGBERWBCJ-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM COc1cccc2cnc(-c3c(F)ccc([O-])c3F)nc21 ZINC001241289220 821706953 /nfs/dbraw/zinc/70/69/53/821706953.db2.gz NKCQCGPXXVHQHW-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM Cc1cc(-c2c(F)ccc([O-])c2F)nc(-c2ccncc2)n1 ZINC001241290855 821708190 /nfs/dbraw/zinc/70/81/90/821708190.db2.gz WAJUHTJMUYYOLN-UHFFFAOYSA-N -1 1 299.280 3.498 20 0 CGADMM O=C1Cc2cc(/C=C/c3ccc(Cl)cc3)ccc2C(=O)[N-]1 ZINC001241588596 821974459 /nfs/dbraw/zinc/97/44/59/821974459.db2.gz YZKAEWDNLNPIEI-OWOJBTEDSA-N -1 1 297.741 3.323 20 0 CGADMM CCCc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1 ZINC001241691082 822072215 /nfs/dbraw/zinc/07/22/15/822072215.db2.gz TUDKACWFTNXGLP-UHFFFAOYSA-N -1 1 279.339 3.119 20 0 CGADMM [O-]c1ccc(-c2ncnc3[nH]ccc32)cc1C(F)(F)F ZINC001242148397 822894651 /nfs/dbraw/zinc/89/46/51/822894651.db2.gz WWIJTMXIRNTDKU-UHFFFAOYSA-N -1 1 279.221 3.301 20 0 CGADMM Cc1cncc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151003 822895152 /nfs/dbraw/zinc/89/51/52/822895152.db2.gz CJHMELHRPKPECA-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM COc1ncc(F)c(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151614 822895861 /nfs/dbraw/zinc/89/58/61/822895861.db2.gz RTZIPKUNMHBMEU-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM CCc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ncn1 ZINC001242157621 822899090 /nfs/dbraw/zinc/89/90/90/822899090.db2.gz JYWSZDDIELBYIO-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM CCOc1nccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242157497 822899369 /nfs/dbraw/zinc/89/93/69/822899369.db2.gz GEZDMHOVFNDWCB-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM COc1ncc2cc[nH]c2c1-c1cccc(F)c1[O-] ZINC001242351550 822962045 /nfs/dbraw/zinc/96/20/45/822962045.db2.gz ZKOXFIIZGRWPOF-UHFFFAOYSA-N -1 1 258.252 3.083 20 0 CGADMM [O-]c1c(F)cccc1-c1cccnc1OC(F)F ZINC001242353213 822962575 /nfs/dbraw/zinc/96/25/75/822962575.db2.gz WYFTXWRQCCPYEF-UHFFFAOYSA-N -1 1 255.195 3.195 20 0 CGADMM COC(=O)c1c(F)c(-c2cccc(F)c2[O-])ccc1OC ZINC001242353900 822963092 /nfs/dbraw/zinc/96/30/92/822963092.db2.gz SEVWNLYWXPEEPF-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM COC(=O)Cc1ccccc1-c1cccc(Cl)c1[O-] ZINC001242364286 822968040 /nfs/dbraw/zinc/96/80/40/822968040.db2.gz GFYARRPXZBAZLQ-UHFFFAOYSA-N -1 1 276.719 3.428 20 0 CGADMM NC(=O)Nc1ccccc1-c1cccc(Cl)c1[O-] ZINC001242364854 822968102 /nfs/dbraw/zinc/96/81/02/822968102.db2.gz SKNSCGSGSDAFPZ-UHFFFAOYSA-N -1 1 262.696 3.203 20 0 CGADMM COC(=O)Cc1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001242364298 822968316 /nfs/dbraw/zinc/96/83/16/822968316.db2.gz GSWWQBJKMXPJNT-UHFFFAOYSA-N -1 1 276.719 3.428 20 0 CGADMM COC(=O)c1cc(C)c(-c2cccc(Cl)c2[O-])cn1 ZINC001242366226 822969001 /nfs/dbraw/zinc/96/90/01/822969001.db2.gz HIZHEELPTJPDQU-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CNC(=O)c1ccc(-c2cccc(Cl)c2[O-])cc1F ZINC001242368208 822970092 /nfs/dbraw/zinc/97/00/92/822970092.db2.gz YLTKAZHGIIKQBH-UHFFFAOYSA-N -1 1 279.698 3.211 20 0 CGADMM NC(=O)c1cc(-c2cccc(Cl)c2[O-])cc2cc[nH]c21 ZINC001242367934 822970340 /nfs/dbraw/zinc/97/03/40/822970340.db2.gz RBJWJKAJOMTOOG-UHFFFAOYSA-N -1 1 286.718 3.293 20 0 CGADMM O=C(C[C@H]1C=CCC1)Nc1cc(F)c([O-])cc1Cl ZINC001342541261 936469785 /nfs/dbraw/zinc/46/97/85/936469785.db2.gz OXAOXOCZMMSSLK-QMMMGPOBSA-N -1 1 269.703 3.480 20 0 CGADMM O=C(NCCCCC1CC1)c1c([O-])cccc1Cl ZINC001171668383 928219855 /nfs/dbraw/zinc/21/98/55/928219855.db2.gz FDXDCUAZTRNKGG-UHFFFAOYSA-N -1 1 267.756 3.356 20 0 CGADMM CC(C)c1ccc(C2(C(=O)Nc3c[n-][nH]c3=O)CCC2)cc1 ZINC001434433059 937248743 /nfs/dbraw/zinc/24/87/43/937248743.db2.gz KWVFTISRYTZXFL-UHFFFAOYSA-N -1 1 299.374 3.299 20 0 CGADMM Cc1noc(C)c1[N-]C(=O)c1c(F)ccc(F)c1Cl ZINC001434895268 937250241 /nfs/dbraw/zinc/25/02/41/937250241.db2.gz BJJUVMJMOLTFRA-UHFFFAOYSA-N -1 1 286.665 3.475 20 0 CGADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1coc(C=O)c1 ZINC001447366712 937368484 /nfs/dbraw/zinc/36/84/84/937368484.db2.gz YIOSPRXCACBESK-UHFFFAOYSA-N -1 1 296.282 3.308 20 0 CGADMM COc1cc(Cl)c(F)cc1NC(=O)c1ccccc1[O-] ZINC001456276946 937428389 /nfs/dbraw/zinc/42/83/89/937428389.db2.gz IJPHTXJGLFWXGU-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CC[C@H]1c2ccccc2CN1C(=O)c1ncc(C)cc1[O-] ZINC001457009896 937437373 /nfs/dbraw/zinc/43/73/73/937437373.db2.gz QDXRUFXSLQESNO-AWEZNQCLSA-N -1 1 282.343 3.203 20 0 CGADMM CCC(CC)[C@@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001460819795 937546896 /nfs/dbraw/zinc/54/68/96/937546896.db2.gz UHNCUEYZLNIPAB-SNVBAGLBSA-N -1 1 291.395 3.072 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1Cc2ccc(Cl)cc21 ZINC001165758456 931995529 /nfs/dbraw/zinc/99/55/29/931995529.db2.gz ICMKNTYBSYRGJT-LLVKDONJSA-N -1 1 291.709 3.463 20 0 CGADMM C[C@@H]1c2ccccc2CCN1C(=O)c1ccc([O-])cc1F ZINC000164477293 932003939 /nfs/dbraw/zinc/00/39/39/932003939.db2.gz BCWXUBNMQJUOJZ-LLVKDONJSA-N -1 1 285.318 3.291 20 0 CGADMM C[C@H](Oc1ccc(F)cc1CN(C)C)C1=CC=C[CH]1 ZINC001229859013 932495492 /nfs/dbraw/zinc/49/54/92/932495492.db2.gz VJYFFFARPLASSY-LBPRGKRZSA-N -1 1 260.332 3.355 20 0 CGADMM COc1c(O[C@H](c2ccccc2)C(C)C)nc(C)[n-]c1=O ZINC001230020646 932523909 /nfs/dbraw/zinc/52/39/09/932523909.db2.gz GNQNNIQRAHIIKE-ZDUSSCGKSA-N -1 1 288.347 3.275 20 0 CGADMM COC(=O)c1c[n-]c(O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 ZINC001230281917 932551296 /nfs/dbraw/zinc/55/12/96/932551296.db2.gz LBFPTMMSEABUJB-WZRBSPASSA-N -1 1 280.368 3.036 20 0 CGADMM Cc1ccnc(NC(=O)c2cccc([O-])c2F)c1C1CC1 ZINC001303668843 932832234 /nfs/dbraw/zinc/83/22/34/932832234.db2.gz BGSRUJSTHKJHJP-UHFFFAOYSA-N -1 1 286.306 3.364 20 0 CGADMM O=C(Cc1cccs1)Nc1cc(F)c([O-])cc1Cl ZINC001304283806 932848601 /nfs/dbraw/zinc/84/86/01/932848601.db2.gz FYYMKYWQUAAYHO-UHFFFAOYSA-N -1 1 285.727 3.427 20 0 CGADMM [O-]c1ccc(CN2CCC(c3ccon3)CC2)c(F)c1F ZINC001462448758 937641587 /nfs/dbraw/zinc/64/15/87/937641587.db2.gz OJLSUEJXYMAPFI-UHFFFAOYSA-N -1 1 294.301 3.038 20 0 CGADMM CC[C@H]1CCCN(Cc2ncc(Br)cc2[O-])C1 ZINC001308617976 933143463 /nfs/dbraw/zinc/14/34/63/933143463.db2.gz DEGWORNGEYKQQR-JTQLQIEISA-N -1 1 299.212 3.172 20 0 CGADMM CCC1(C)CCN(C(=O)c2cc(C)cc(C=O)c2[O-])CC1 ZINC001464620898 937693740 /nfs/dbraw/zinc/69/37/40/937693740.db2.gz SQVYPKFRBCSHJS-UHFFFAOYSA-N -1 1 289.375 3.165 20 0 CGADMM CSc1ccc([C@H](C)NC(=O)c2ccc([O-])cn2)cc1 ZINC001467539246 937719036 /nfs/dbraw/zinc/71/90/36/937719036.db2.gz KILHOOVMDDOPFE-JTQLQIEISA-N -1 1 288.372 3.000 20 0 CGADMM C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(F)c([O-])c1 ZINC001467907949 937723162 /nfs/dbraw/zinc/72/31/62/937723162.db2.gz MWUCDKYGUGGJOW-UWVGGRQHSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1cccc([O-])c1F ZINC001468446728 937728201 /nfs/dbraw/zinc/72/82/01/937728201.db2.gz OUASBQSLXRYOAE-HNNXBMFYSA-N -1 1 299.345 3.455 20 0 CGADMM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC001468927322 937733425 /nfs/dbraw/zinc/73/34/25/937733425.db2.gz HWKIAYVMJFSSED-JQWIXIFHSA-N -1 1 279.355 3.476 20 0 CGADMM CCN(Cc1ccccc1F)C(=O)c1ccc([O-])c(F)c1 ZINC001321213740 934163171 /nfs/dbraw/zinc/16/31/71/934163171.db2.gz QUQIATKGGVCZNM-UHFFFAOYSA-N -1 1 291.297 3.333 20 0 CGADMM CC1CC(CNC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001470439310 937753176 /nfs/dbraw/zinc/75/31/76/937753176.db2.gz DNMCVNSOOOIODD-UHFFFAOYSA-N -1 1 285.343 3.027 20 0 CGADMM C[C@H]1CC/C(=C/C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001472042024 937771949 /nfs/dbraw/zinc/77/19/49/937771949.db2.gz YMPVNLKXFGJZJE-QBQSQJOESA-N -1 1 295.329 3.076 20 0 CGADMM C[C@@H]1CC=CC[C@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001472322084 937775208 /nfs/dbraw/zinc/77/52/08/937775208.db2.gz MTPLBMHDZIENEO-BXUZGUMPSA-N -1 1 282.343 3.025 20 0 CGADMM CCOc1cc(C(=O)NC/C=C/C2CC2)cc(Cl)c1[O-] ZINC001325055196 934884855 /nfs/dbraw/zinc/88/48/55/934884855.db2.gz QOELXZSZUCZRBB-ONEGZZNKSA-N -1 1 295.766 3.140 20 0 CGADMM CCOc1cc(C(=O)NC/C=C\C2CC2)cc(Cl)c1[O-] ZINC001325055194 934884919 /nfs/dbraw/zinc/88/49/19/934884919.db2.gz QOELXZSZUCZRBB-ARJAWSKDSA-N -1 1 295.766 3.140 20 0 CGADMM CC(C)(C)c1ncsc1C(=O)[N-]c1c(F)ccnc1F ZINC001326411816 934977847 /nfs/dbraw/zinc/97/78/47/934977847.db2.gz AZAYMYFHVRUVCB-UHFFFAOYSA-N -1 1 297.330 3.366 20 0 CGADMM O=C(NCC[C@H]1CCC(F)(F)C1)c1ccc([O-])cc1F ZINC001333569539 935546871 /nfs/dbraw/zinc/54/68/71/935546871.db2.gz RUYYFUUUBFBKRQ-SECBINFHSA-N -1 1 287.281 3.087 20 0 CGADMM CCCN(Cc1ccc([O-])c(F)c1F)CC(F)F ZINC001474345913 937853681 /nfs/dbraw/zinc/85/36/81/937853681.db2.gz XJLJSWGHTYIMCS-UHFFFAOYSA-N -1 1 265.250 3.148 20 0 CGADMM CC(C)CC1(NC(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC001479212209 937917486 /nfs/dbraw/zinc/91/74/86/937917486.db2.gz DERTWLYXEICDSU-UHFFFAOYSA-N -1 1 296.798 3.424 20 0 CGADMM CCC[C@@](C)(CC)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001525142878 938047808 /nfs/dbraw/zinc/04/78/08/938047808.db2.gz PSHCEJCCXFMJKZ-MRXNPFEDSA-N -1 1 291.395 3.216 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NC2CCCCCCC2)c1 ZINC001540310706 938129885 /nfs/dbraw/zinc/12/98/85/938129885.db2.gz AILZDSUIGUEHIM-UHFFFAOYSA-N -1 1 289.375 3.356 20 0 CGADMM CCCC[C@H](CC)CNC(=O)c1cccc([O-])c1F ZINC001540679068 938133106 /nfs/dbraw/zinc/13/31/06/938133106.db2.gz NHZFVTCQBJAURU-NSHDSACASA-N -1 1 267.344 3.478 20 0 CGADMM Cc1cnc(C(=O)NC(C)(C)Cc2ccccc2C)c([O-])c1 ZINC001542777552 938136986 /nfs/dbraw/zinc/13/69/86/938136986.db2.gz CSZFPLFKURUHHV-UHFFFAOYSA-N -1 1 298.386 3.155 20 0 CGADMM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001556356922 938203456 /nfs/dbraw/zinc/20/34/56/938203456.db2.gz MVXFHPVHDJODLR-LBPRGKRZSA-N -1 1 279.355 3.430 20 0 CGADMM CC(C)c1ocnc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001556919630 938206521 /nfs/dbraw/zinc/20/65/21/938206521.db2.gz JCFRUUPKKDHCJJ-UHFFFAOYSA-N -1 1 282.246 3.034 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1Cc2ccc(Cl)cc2C1 ZINC001556969616 938206822 /nfs/dbraw/zinc/20/68/22/938206822.db2.gz YNLHAGXPQUYVCH-UHFFFAOYSA-N -1 1 291.709 3.341 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cc2ccsc2[nH]1 ZINC001557086564 938207725 /nfs/dbraw/zinc/20/77/25/938207725.db2.gz VVGMGZQPAWJAQH-UHFFFAOYSA-N -1 1 294.282 3.466 20 0 CGADMM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1cncc([O-])c1 ZINC001557950546 938212608 /nfs/dbraw/zinc/21/26/08/938212608.db2.gz QXGSKIXDTZZTLQ-GOSISDBHSA-N -1 1 298.386 3.174 20 0 CGADMM CC(C)[C@](C)(Cc1ccccc1)NC(=O)c1cncc([O-])c1 ZINC001557950547 938212617 /nfs/dbraw/zinc/21/26/17/938212617.db2.gz QXGSKIXDTZZTLQ-SFHVURJKSA-N -1 1 298.386 3.174 20 0 CGADMM O=C(CCc1ccccc1)Nc1cccc(F)c1[O-] ZINC001557955820 938212741 /nfs/dbraw/zinc/21/27/41/938212741.db2.gz FPMUAAZMFXYTMH-UHFFFAOYSA-N -1 1 259.280 3.103 20 0 CGADMM Cc1ccc(C(=O)NCc2ccc([O-])c(Cl)c2)c(F)c1 ZINC001558208717 938214083 /nfs/dbraw/zinc/21/40/83/938214083.db2.gz ILRCXAXEDONQCL-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM CCc1cccc(NC(=O)c2cccc([O-])c2F)c1O ZINC001558636025 938216849 /nfs/dbraw/zinc/21/68/49/938216849.db2.gz UKXSJYOHFWVWSX-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM C/C(Cl)=C/C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001558644671 938216939 /nfs/dbraw/zinc/21/69/39/938216939.db2.gz UAQQIIQZQZGWOG-DJWKRKHSSA-N -1 1 264.083 3.266 20 0 CGADMM O=C([O-])c1ccc(CN2CC(Cc3ccsc3)C2)s1 ZINC001595227400 949315191 /nfs/dbraw/zinc/31/51/91/949315191.db2.gz DVEYYMJWFNYHKO-UHFFFAOYSA-N -1 1 293.413 3.182 20 0 CGADMM C[N@H+](Cc1cccc([O-])c1Cl)C1(C(=O)[O-])CCCCC1 ZINC000381081475 971737250 /nfs/dbraw/zinc/73/72/50/971737250.db2.gz UTRPQAQWAOHHAE-UHFFFAOYSA-N -1 1 297.782 3.265 20 0 CGADMM C[N@@H+](Cc1cccc([O-])c1Cl)C1(C(=O)[O-])CCCCC1 ZINC000381081475 971737255 /nfs/dbraw/zinc/73/72/55/971737255.db2.gz UTRPQAQWAOHHAE-UHFFFAOYSA-N -1 1 297.782 3.265 20 0 CGADMM CCC[C@H]1CCCC[C@H]1NC(=O)c1ncc(C)cc1[O-] ZINC001565580491 960789800 /nfs/dbraw/zinc/78/98/00/960789800.db2.gz YWYFVXPNAXTJJB-QWHCGFSZSA-N -1 1 276.380 3.184 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1cccc2oc(C)nc21 ZINC001569019730 961663722 /nfs/dbraw/zinc/66/37/22/961663722.db2.gz ILRSMTHKZCFIAP-UHFFFAOYSA-N -1 1 298.298 3.103 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)c1ccsc1 ZINC001569379060 961757715 /nfs/dbraw/zinc/75/77/15/961757715.db2.gz MEKVWAXJURHTPF-UHFFFAOYSA-N -1 1 298.161 3.469 20 0 CGADMM CC(C)Cc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001574238717 962289594 /nfs/dbraw/zinc/28/95/94/962289594.db2.gz PXNNEQNPUFCMMX-UHFFFAOYSA-N -1 1 294.362 3.204 20 0 CGADMM CC(C)Cc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001574238717 962289611 /nfs/dbraw/zinc/28/96/11/962289611.db2.gz PXNNEQNPUFCMMX-UHFFFAOYSA-N -1 1 294.362 3.204 20 0 CGADMM CC(C)CCCSCc1ccc(-c2nnn[n-]2)o1 ZINC001574194876 962296978 /nfs/dbraw/zinc/29/69/78/962296978.db2.gz DSSSDJPRABJHRS-UHFFFAOYSA-N -1 1 266.370 3.129 20 0 CGADMM CC(C)CCCSCc1ccc(-c2nn[n-]n2)o1 ZINC001574194876 962296989 /nfs/dbraw/zinc/29/69/89/962296989.db2.gz DSSSDJPRABJHRS-UHFFFAOYSA-N -1 1 266.370 3.129 20 0 CGADMM C[C@@H]1c2ccccc2C[N@@H+]1CCOc1ccccc1C(=O)[O-] ZINC001574286593 962298155 /nfs/dbraw/zinc/29/81/55/962298155.db2.gz QOCIUCINDLCCQK-CYBMUJFWSA-N -1 1 297.354 3.340 20 0 CGADMM C[C@@H]1c2ccccc2CN1CCOc1ccccc1C(=O)[O-] ZINC001574286593 962298163 /nfs/dbraw/zinc/29/81/63/962298163.db2.gz QOCIUCINDLCCQK-CYBMUJFWSA-N -1 1 297.354 3.340 20 0 CGADMM CCOCc1cccc(NC(=O)c2cccc([O-])c2F)c1 ZINC001584356039 962913681 /nfs/dbraw/zinc/91/36/81/962913681.db2.gz AVIRYDFQBZLYIL-UHFFFAOYSA-N -1 1 289.306 3.320 20 0 CGADMM Cc1nocc1[N-]C(=O)c1cc2cc(F)ccc2o1 ZINC001585126542 962986529 /nfs/dbraw/zinc/98/65/29/962986529.db2.gz IPTJMASKPITVIN-UHFFFAOYSA-N -1 1 260.224 3.121 20 0 CGADMM C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001585572350 963028184 /nfs/dbraw/zinc/02/81/84/963028184.db2.gz NXRGOOSCMCMLEB-LDYMZIIASA-N -1 1 287.281 3.329 20 0 CGADMM C/C=C/C[C@H]1CCCN(C(=O)c2cccc([O-])c2F)C1 ZINC001586498726 963109293 /nfs/dbraw/zinc/10/92/93/963109293.db2.gz HDYFZIQXOKDIRW-JDGPPOGSSA-N -1 1 277.339 3.350 20 0 CGADMM CCCCC[C@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001588283523 963262702 /nfs/dbraw/zinc/26/27/02/963262702.db2.gz ZGOHMCXSKAWCGX-JTQLQIEISA-N -1 1 253.317 3.230 20 0 CGADMM Cc1ccc2nc(SCc3ncccc3C(=O)[O-])[nH]c2c1 ZINC000314131253 963716010 /nfs/dbraw/zinc/71/60/10/963716010.db2.gz HSDPNFZTHZUTTD-UHFFFAOYSA-N -1 1 299.355 3.257 20 0 CGADMM CCOc1cccc(Cl)c1CN(CC(=O)[O-])C(C)C ZINC001603875421 974375651 /nfs/dbraw/zinc/37/56/51/974375651.db2.gz CZXXBOFOZBSKHE-UHFFFAOYSA-N -1 1 285.771 3.034 20 0 CGADMM CC[C@@H]1CCCCN1[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595452054 981112982 /nfs/dbraw/zinc/11/29/82/981112982.db2.gz YRDRQGUGADYZPP-VHSXEESVSA-N -1 1 268.382 3.167 20 0 CGADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2F)CCC1(F)F ZINC001594538399 986167763 /nfs/dbraw/zinc/16/77/63/986167763.db2.gz NPKUGPVPEJOQOL-VIFPVBQESA-N -1 1 287.281 3.001 20 0 CGADMM CCc1[nH]c(CNc2nccc(C)c2C2CC2)cc1C(=O)[O-] ZINC001597398574 987653077 /nfs/dbraw/zinc/65/30/77/987653077.db2.gz NXGBECGKAYZZOJ-UHFFFAOYSA-N -1 1 299.374 3.468 20 0 CGADMM CCc1nc(C)c(CN[C@@H](C)c2cc(C(=O)[O-])cs2)o1 ZINC001597660977 988729438 /nfs/dbraw/zinc/72/94/38/988729438.db2.gz JMPRALIDDQYHBF-VIFPVBQESA-N -1 1 294.376 3.156 20 0 CGADMM CCc1noc(C)c1CN[C@H](C)c1cc(C(=O)[O-])cs1 ZINC001597745805 989113315 /nfs/dbraw/zinc/11/33/15/989113315.db2.gz HYIHWCXMVLOPBT-MRVPVSSYSA-N -1 1 294.376 3.156 20 0 CGADMM CC(C)[C@H]1CCCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591086753 991603906 /nfs/dbraw/zinc/60/39/06/991603906.db2.gz DQSHUOYNHJKFDW-QWRGUYRKSA-N -1 1 282.409 3.270 20 0 CGADMM CC(C)C[C@H]1CCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591211064 992050167 /nfs/dbraw/zinc/05/01/67/992050167.db2.gz ONALDXSKRMUKFP-WDEREUQCSA-N -1 1 282.409 3.270 20 0 CGADMM C[C@H](NC/C=C\c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593258216 994538848 /nfs/dbraw/zinc/53/88/48/994538848.db2.gz XTDAXJLOFDPJEC-JECSTDCCSA-N -1 1 271.316 3.342 20 0 CGADMM CC(C)n1cc([C@H](C)NCc2csc(C(=O)[O-])c2)cn1 ZINC001593311047 994776854 /nfs/dbraw/zinc/77/68/54/994776854.db2.gz AYIJAEJAXODEHC-JTQLQIEISA-N -1 1 293.392 3.075 20 0 CGADMM C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593696871 996152537 /nfs/dbraw/zinc/15/25/37/996152537.db2.gz ANVWRGPSXVVEBB-HOSYDEDBSA-N -1 1 283.318 3.068 20 0 CGADMM CCCC[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)C(C)C ZINC000621443178 349526871 /nfs/dbraw/zinc/52/68/71/349526871.db2.gz AUDVPVQDNLTNNQ-MRVPVSSYSA-N -1 1 292.305 3.224 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651586350 398256248 /nfs/dbraw/zinc/25/62/48/398256248.db2.gz YPTFWNVXHIAOJZ-OUAUKWLOSA-N -1 1 261.296 3.072 20 0 CGADMM Cc1cc(Cl)cc(NC(=O)c2cc(F)ccc2[O-])c1O ZINC000622467979 349681819 /nfs/dbraw/zinc/68/18/19/349681819.db2.gz PEOSXDUSRHWMOW-UHFFFAOYSA-N -1 1 295.697 3.451 20 0 CGADMM CC[C@@]1(C)CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000175258881 529523413 /nfs/dbraw/zinc/52/34/13/529523413.db2.gz VIHZANVKSRZQHY-HNNXBMFYSA-N -1 1 265.328 3.184 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2C)c1 ZINC000176399341 529548325 /nfs/dbraw/zinc/54/83/25/529548325.db2.gz XFMMYSOQGUWPBR-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM CCc1ccc(C(=O)Nc2cc(Cl)ccn2)c([O-])c1 ZINC000436822791 529609433 /nfs/dbraw/zinc/60/94/33/529609433.db2.gz XDEXIZPXLGFHGI-UHFFFAOYSA-N -1 1 276.723 3.255 20 0 CGADMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CC1 ZINC000351304580 219091190 /nfs/dbraw/zinc/09/11/90/219091190.db2.gz PFYNQFOATPPLAU-UHFFFAOYSA-N -1 1 285.347 3.157 20 0 CGADMM CN(CC[C@@H]1CCCO1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436794277 529931043 /nfs/dbraw/zinc/93/10/43/529931043.db2.gz UYYLFUKKPHKLDZ-AWEZNQCLSA-N -1 1 299.370 3.187 20 0 CGADMM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000069602544 345382484 /nfs/dbraw/zinc/38/24/84/345382484.db2.gz ZBOCOECIPQPHPF-JTQLQIEISA-N -1 1 291.363 3.068 20 0 CGADMM CCN(Cc1ccoc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000102287477 345915165 /nfs/dbraw/zinc/91/51/65/345915165.db2.gz ZOOHITDXSSIBOU-UHFFFAOYSA-N -1 1 279.723 3.301 20 0 CGADMM O=C(NCCC1CCCCC1)c1cc(F)ccc1[O-] ZINC000128617339 346042604 /nfs/dbraw/zinc/04/26/04/346042604.db2.gz PGHSEXRXCJLFKJ-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM Cc1occc1CN(C)Cc1cc(C(=O)[O-])sc1C ZINC000155963211 346156384 /nfs/dbraw/zinc/15/63/84/346156384.db2.gz UUIIXTWVZSRTSB-UHFFFAOYSA-N -1 1 279.361 3.288 20 0 CGADMM CC1(c2noc(-c3cc(F)ccc3[O-])n2)CCCC1 ZINC000312976817 346478221 /nfs/dbraw/zinc/47/82/21/346478221.db2.gz JDWWYQZBDOESMB-UHFFFAOYSA-N -1 1 262.284 3.413 20 0 CGADMM O=C(N[C@@H]1CCCC12CCCCC2)c1cncc([O-])c1 ZINC000312968014 346478493 /nfs/dbraw/zinc/47/84/93/346478493.db2.gz AHHQBLQXOWCYIX-CQSZACIVSA-N -1 1 274.364 3.020 20 0 CGADMM Cc1cc(CNC(=O)c2cc3ccccc3cc2[O-])ccn1 ZINC000391355807 346575303 /nfs/dbraw/zinc/57/53/03/346575303.db2.gz MCMDWVVTDVQGCM-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM CCS[C@H](C(=O)Nc1cccc(F)c1[O-])C(C)C ZINC000600446869 347800494 /nfs/dbraw/zinc/80/04/94/347800494.db2.gz UZKPQZSUIMKOIU-LBPRGKRZSA-N -1 1 271.357 3.248 20 0 CGADMM [O-]c1cccc(CNc2cccc3c2OCO3)c1Cl ZINC000339341744 215106515 /nfs/dbraw/zinc/10/65/15/215106515.db2.gz FSQNCMGQZMRCMQ-UHFFFAOYSA-N -1 1 277.707 3.386 20 0 CGADMM Cc1cccc(C(=O)Nc2c([O-])cccc2F)c1C ZINC000605438286 348155972 /nfs/dbraw/zinc/15/59/72/348155972.db2.gz SFSFTZCXZAUUIS-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CC(C)CCc1noc(-c2cc(F)ccc2[O-])n1 ZINC000128812607 187391434 /nfs/dbraw/zinc/39/14/34/187391434.db2.gz LQJNTFJDUIMDCW-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM C[C@H](C(=O)Nc1c([O-])cccc1F)n1cnc2ccccc21 ZINC000608367030 348301063 /nfs/dbraw/zinc/30/10/63/348301063.db2.gz RSVPWKHTWUOPIM-SNVBAGLBSA-N -1 1 299.305 3.081 20 0 CGADMM C[C@@H]1CCC[C@@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000608366787 348301406 /nfs/dbraw/zinc/30/14/06/348301406.db2.gz YYJVQRYDQXUJHE-NXEZZACHSA-N -1 1 251.301 3.296 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@]12CCc1ccccc12 ZINC000608367541 348302218 /nfs/dbraw/zinc/30/22/18/348302218.db2.gz VOYUSTRFLIWQFM-ACJLOTCBSA-N -1 1 297.329 3.374 20 0 CGADMM O=c1nc(CN2C3CCCC2CCC3)[n-]c2ccsc21 ZINC000608565021 348319090 /nfs/dbraw/zinc/31/90/90/348319090.db2.gz MOXABYLMPUAFTD-UHFFFAOYSA-N -1 1 289.404 3.304 20 0 CGADMM CCc1c(C)[n-]n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000614189467 348657299 /nfs/dbraw/zinc/65/72/99/348657299.db2.gz LXDUHJNVAFRIDF-LBPRGKRZSA-N -1 1 284.281 3.450 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CC(C2CCCC2)C1 ZINC000614275399 348664096 /nfs/dbraw/zinc/66/40/96/348664096.db2.gz JIBGSXHDJKERSO-UHFFFAOYSA-N -1 1 296.370 3.203 20 0 CGADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000613512138 348614038 /nfs/dbraw/zinc/61/40/38/348614038.db2.gz OOMQLNUCLFNUBH-GXTWGEPZSA-N -1 1 297.395 3.325 20 0 CGADMM CC1(C)CN(C(=O)c2ncc3ccccc3c2[O-])[C@@H]1C1CC1 ZINC000615036823 348710696 /nfs/dbraw/zinc/71/06/96/348710696.db2.gz BYCUUNVMZGZFIX-MRXNPFEDSA-N -1 1 296.370 3.201 20 0 CGADMM O=C(Nc1cncc2c1CCCC2)c1ccc([O-])cc1F ZINC000617100933 348918485 /nfs/dbraw/zinc/91/84/85/348918485.db2.gz KXLKIFDHLDRSNA-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c([O-])c1 ZINC000358897255 233211483 /nfs/dbraw/zinc/21/14/83/233211483.db2.gz CSIYYKVDIWLTOS-NSHDSACASA-N -1 1 288.322 3.068 20 0 CGADMM CC1(C)C[C@]1(C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000620076130 349320031 /nfs/dbraw/zinc/32/00/31/349320031.db2.gz KGSOXKUVISODQC-ZDUSSCGKSA-N -1 1 287.281 3.329 20 0 CGADMM C[C@H]1C[C@H](CNC(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000271284541 191050245 /nfs/dbraw/zinc/05/02/45/191050245.db2.gz ATXLYTOHADPUNH-QWHCGFSZSA-N -1 1 299.370 3.090 20 0 CGADMM CC1(C)CCC(C)(C)N(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000628533584 350568470 /nfs/dbraw/zinc/56/84/70/350568470.db2.gz JHTXSKSNAXJUSX-UHFFFAOYSA-N -1 1 289.375 3.002 20 0 CGADMM CCOc1cc(C(=O)N(C2CC2)C2CC2)cc(Cl)c1[O-] ZINC000628817931 350606708 /nfs/dbraw/zinc/60/67/08/350606708.db2.gz CVCGANCKOHZKOZ-UHFFFAOYSA-N -1 1 295.766 3.211 20 0 CGADMM CO[C@@H](CSc1ncc(C)c(=O)[n-]1)c1ccc(F)cc1 ZINC000629180337 350663846 /nfs/dbraw/zinc/66/38/46/350663846.db2.gz MPJAQHRCHVIKQG-LBPRGKRZSA-N -1 1 294.351 3.110 20 0 CGADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C1CCOCC1 ZINC000629184138 350665365 /nfs/dbraw/zinc/66/53/65/350665365.db2.gz YGMJAHJPHFEPCO-SSDOTTSWSA-N -1 1 290.335 3.027 20 0 CGADMM CCc1nc(SC2CC(C)(C)C2)[n-]c(=O)c1C ZINC000631017098 350925407 /nfs/dbraw/zinc/92/54/07/350925407.db2.gz HVYANSBLUIXVNX-UHFFFAOYSA-N -1 1 252.383 3.334 20 0 CGADMM Cc1nc(S[C@H](C)c2csnn2)[n-]c(=O)c1C1CC1 ZINC000631022848 350926771 /nfs/dbraw/zinc/92/67/71/350926771.db2.gz AWWORNJKQBCWHJ-SSDOTTSWSA-N -1 1 294.405 3.073 20 0 CGADMM Cc1nc(SC[C@@H]2C[C@@H]2C)[n-]c(=O)c1C1CC1 ZINC000631023880 350927559 /nfs/dbraw/zinc/92/75/59/350927559.db2.gz ZDDAOHCZJIPNLN-XVKPBYJWSA-N -1 1 250.367 3.116 20 0 CGADMM CCCCN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000630696697 350873832 /nfs/dbraw/zinc/87/38/32/350873832.db2.gz JSLNHRWLXBWROS-UHFFFAOYSA-N -1 1 281.783 3.379 20 0 CGADMM CC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCCC1 ZINC000630831578 350896641 /nfs/dbraw/zinc/89/66/41/350896641.db2.gz LVRHUDFEUPALBZ-UHFFFAOYSA-N -1 1 267.756 3.037 20 0 CGADMM C[C@@H]1CCCCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631309600 351022595 /nfs/dbraw/zinc/02/25/95/351022595.db2.gz OYRVXNZRWYFVAK-LLVKDONJSA-N -1 1 281.783 3.379 20 0 CGADMM C[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@@H]1C ZINC000631470594 351046065 /nfs/dbraw/zinc/04/60/65/351046065.db2.gz QZMQFSIDMUDJJU-GHMZBOCLSA-N -1 1 281.783 3.235 20 0 CGADMM O=S(=O)([N-]C1CCCCCC1)c1ccc(C(F)F)o1 ZINC000631642061 351102936 /nfs/dbraw/zinc/10/29/36/351102936.db2.gz BENABLTUQXLGKG-UHFFFAOYSA-N -1 1 293.335 3.218 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000632029011 351159382 /nfs/dbraw/zinc/15/93/82/351159382.db2.gz ZHVFOMIEIHHMEL-NWDGAFQWSA-N -1 1 295.766 3.047 20 0 CGADMM CCC1([N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCC1 ZINC000632391930 351196583 /nfs/dbraw/zinc/19/65/83/351196583.db2.gz RQVZOOJXCJYJCN-UHFFFAOYSA-N -1 1 293.335 3.218 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC[C@@H]1CC=CCC1 ZINC000633683207 351346012 /nfs/dbraw/zinc/34/60/12/351346012.db2.gz CMOTUMLGBSJLAL-GFCCVEGCSA-N -1 1 293.794 3.451 20 0 CGADMM CC(C)(C(=O)Nc1cccc(F)c1[O-])[C@H]1CCCCO1 ZINC000633688252 351346902 /nfs/dbraw/zinc/34/69/02/351346902.db2.gz PYORYUWLDLQBOM-GFCCVEGCSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3cccc(Br)c3)c(=O)c21 ZINC000634585603 351525302 /nfs/dbraw/zinc/52/53/02/351525302.db2.gz LJFKZFHGNHSLLP-PRHODGIISA-N -1 1 293.164 3.198 20 0 CGADMM CCc1[n-]n(-c2ncccc2Cl)c(=O)c1C(C)C ZINC000634594932 351531285 /nfs/dbraw/zinc/53/12/85/351531285.db2.gz LIJVMQAQPRVEDM-NSHDSACASA-N -1 1 265.744 3.120 20 0 CGADMM CCc1c(=O)n(Cc2ccc(F)cc2F)[n-]c1C(C)C ZINC000634601435 351536476 /nfs/dbraw/zinc/53/64/76/351536476.db2.gz MRRKFHMTLGNROU-GFCCVEGCSA-N -1 1 280.318 3.345 20 0 CGADMM Cc1cccc(Cn2[n-]c3c(c2=O)C[C@@H](C)CC3)c1 ZINC000634604343 351538222 /nfs/dbraw/zinc/53/82/22/351538222.db2.gz CKKDJOPBGUYKBQ-JSGCOSHPSA-N -1 1 256.349 3.129 20 0 CGADMM O=c1c2c([n-]n1Cc1ccccc1F)CCCCC2 ZINC000634608010 351540039 /nfs/dbraw/zinc/54/00/39/351540039.db2.gz ODUABOQHAONTKV-LBPRGKRZSA-N -1 1 260.312 3.104 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3cccc(F)c3Cl)c(=O)c21 ZINC000634611358 351541422 /nfs/dbraw/zinc/54/14/22/351541422.db2.gz STNBFIPYNHZHJU-RDDDGLTNSA-N -1 1 266.703 3.228 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccccc3OC(F)(F)F)c(=O)c21 ZINC000634614379 351543983 /nfs/dbraw/zinc/54/39/83/351543983.db2.gz AYVKVVIIICNCPQ-UFBFGSQYSA-N -1 1 298.264 3.334 20 0 CGADMM Cc1cc2ccccc2nc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000634615847 351544944 /nfs/dbraw/zinc/54/49/44/351544944.db2.gz SWNTVVWINOWCRU-BONVTDFDSA-N -1 1 279.343 3.292 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc([O-])cc2F)[C@@H]2CCCC[C@H]12 ZINC000123721209 187106384 /nfs/dbraw/zinc/10/63/84/187106384.db2.gz KIUBFCZMSDCPMX-JVLSTEMRSA-N -1 1 277.339 3.182 20 0 CGADMM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cncc([O-])c1 ZINC000340005620 215424538 /nfs/dbraw/zinc/42/45/38/215424538.db2.gz MGQGHFHKJFIGDF-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM CCCC(CCC)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000156244442 188251142 /nfs/dbraw/zinc/25/11/42/188251142.db2.gz CGKDJAWSWRFODK-UHFFFAOYSA-N -1 1 287.367 3.022 20 0 CGADMM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cncc([O-])c1 ZINC000292513399 198316825 /nfs/dbraw/zinc/31/68/25/198316825.db2.gz BDRPMGANOXPZBW-IGCXYCKISA-N -1 1 296.370 3.194 20 0 CGADMM C[C@@H]1C[C@H](Sc2nc(C3CC3)cc(=O)[n-]2)C[C@H](C)O1 ZINC000328698730 202019419 /nfs/dbraw/zinc/01/94/19/202019419.db2.gz LYASGMRTXSKTBZ-JZYVYDRUSA-N -1 1 280.393 3.108 20 0 CGADMM C[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1(C)C ZINC000273799639 192312828 /nfs/dbraw/zinc/31/28/28/192312828.db2.gz ZPSNBVQKYKBFRF-JTQLQIEISA-N -1 1 291.420 3.265 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC000109889587 138362040 /nfs/dbraw/zinc/36/20/40/138362040.db2.gz OEUXKZIUWDYYNP-UHFFFAOYSA-N -1 1 256.305 3.163 20 0 CGADMM C[C@@H](N=c1ccc(N2CCC[C@@H]2C)n[n-]1)c1ccccc1 ZINC000425230332 236221196 /nfs/dbraw/zinc/22/11/96/236221196.db2.gz LSQLUOLZNUZDRW-UONOGXRCSA-N -1 1 282.391 3.060 20 0 CGADMM Cc1ccc([C@H](NCc2cc(C)ccc2F)C(=O)[O-])cc1 ZINC000426711676 236307168 /nfs/dbraw/zinc/30/71/68/236307168.db2.gz QLCBMJCVRQMJHS-INIZCTEOSA-N -1 1 287.334 3.358 20 0 CGADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccon1 ZINC000436762255 237178131 /nfs/dbraw/zinc/17/81/31/237178131.db2.gz BINCKSFQLVPHRI-SNVBAGLBSA-N -1 1 282.299 3.024 20 0 CGADMM O=C(N[C@H](Cc1ccccc1)C1CC1)c1c([O-])cccc1F ZINC000436952807 237220384 /nfs/dbraw/zinc/22/03/84/237220384.db2.gz YZOWZIHWHQOPBG-OAHLLOKOSA-N -1 1 299.345 3.282 20 0 CGADMM O=C(NCCC1Cc2ccccc2C1)c1c([O-])cccc1F ZINC000436986940 237225865 /nfs/dbraw/zinc/22/58/65/237225865.db2.gz HWWCMTNKHJHMCT-UHFFFAOYSA-N -1 1 299.345 3.066 20 0 CGADMM CCc1occc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000436876313 237201827 /nfs/dbraw/zinc/20/18/27/237201827.db2.gz YENVKDMBKWNYCR-UHFFFAOYSA-N -1 1 274.251 3.404 20 0 CGADMM CCC[C@@H](OC)c1nc(-c2ccc([O-])cc2F)no1 ZINC000297109812 200087869 /nfs/dbraw/zinc/08/78/69/200087869.db2.gz YBCGURHLBCNZBK-LLVKDONJSA-N -1 1 266.272 3.069 20 0 CGADMM Cc1ccccc1CN(C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459298509 242059506 /nfs/dbraw/zinc/05/95/06/242059506.db2.gz OXGUIRXNFRIIMZ-UHFFFAOYSA-N -1 1 283.375 3.000 20 0 CGADMM C[C@]1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C[C@H]2C[C@H]2C1 ZINC000335511666 212198461 /nfs/dbraw/zinc/19/84/61/212198461.db2.gz HDCLQQKAKDUGGE-PBKGOJFUSA-N -1 1 297.358 3.157 20 0 CGADMM CC(=O)c1ccc(NC(=O)c2cccc(C)c2[O-])cc1 ZINC000019807242 368767601 /nfs/dbraw/zinc/76/76/01/368767601.db2.gz YMBLXLKQPGNODO-UHFFFAOYSA-N -1 1 269.300 3.156 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1Cc2ccccc2C1 ZINC000034777838 368978368 /nfs/dbraw/zinc/97/83/68/368978368.db2.gz MVBZRPMSQHRIEN-UHFFFAOYSA-N -1 1 273.719 3.202 20 0 CGADMM CC[C@H](C)N(CC(=O)[O-])Cc1cc(-c2ccccc2)no1 ZINC000037599205 369092064 /nfs/dbraw/zinc/09/20/64/369092064.db2.gz GDQCAIMNJNAZIC-LBPRGKRZSA-N -1 1 288.347 3.027 20 0 CGADMM O=C([O-])C[C@H]1CCCN1Cc1c(Cl)cccc1Cl ZINC000042163888 369203162 /nfs/dbraw/zinc/20/31/62/369203162.db2.gz ZWOGKJXXENTYRQ-SECBINFHSA-N -1 1 288.174 3.433 20 0 CGADMM C[C@@H](CN(C)Cc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000042705646 369229242 /nfs/dbraw/zinc/22/92/42/369229242.db2.gz JFTGOBZUWSDMKP-VIFPVBQESA-N -1 1 296.417 3.024 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1F ZINC000048652473 369363207 /nfs/dbraw/zinc/36/32/07/369363207.db2.gz OUMPQCKSMUBRPH-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM CCOc1cc(-c2nc(CC)no2)cc(Cl)c1[O-] ZINC000276185062 193236489 /nfs/dbraw/zinc/23/64/89/193236489.db2.gz KVRXYOFMYCBFMX-UHFFFAOYSA-N -1 1 268.700 3.057 20 0 CGADMM Cc1nc(-c2ccc(N[C@H]3CC[C@H]3C)nc2)[n-]c(=O)c1C ZINC000343808345 216925113 /nfs/dbraw/zinc/92/51/13/216925113.db2.gz NXOPPZMWSKUDIN-RNCFNFMXSA-N -1 1 284.363 3.071 20 0 CGADMM O=C([O-])[C@@H](NCc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000062708748 369629032 /nfs/dbraw/zinc/62/90/32/369629032.db2.gz YBIGDJRXDRZZSF-AWEZNQCLSA-N -1 1 295.260 3.019 20 0 CGADMM C[C@@H]1CC[C@H](C)N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000072897120 369843687 /nfs/dbraw/zinc/84/36/87/369843687.db2.gz KCMIXBSQKZJUBK-ZJUUUORDSA-N -1 1 277.393 3.017 20 0 CGADMM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cncc([O-])c1 ZINC000111772408 370407169 /nfs/dbraw/zinc/40/71/69/370407169.db2.gz XFZAOGWTCAVLDS-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM CC(C)(C)[C@@H]1CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000513328678 245072454 /nfs/dbraw/zinc/07/24/54/245072454.db2.gz CPZJOIWPQMQGMZ-ZDUSSCGKSA-N -1 1 283.799 3.293 20 0 CGADMM CCOc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1F ZINC000134852648 371368681 /nfs/dbraw/zinc/36/86/81/371368681.db2.gz ZRKMUIWGUANJSX-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421904744 371704610 /nfs/dbraw/zinc/70/46/10/371704610.db2.gz ZLBLJSQDJPYGOO-YIZRAAEISA-N -1 1 267.275 3.045 20 0 CGADMM CO[C@@H](C)c1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000154855115 371884958 /nfs/dbraw/zinc/88/49/58/371884958.db2.gz CHQOJGIDLDXDRI-JTQLQIEISA-N -1 1 289.306 3.491 20 0 CGADMM CC(C)C(C)(C)CNC(=O)c1c(F)ccc([O-])c1F ZINC000289992620 371872117 /nfs/dbraw/zinc/87/21/17/371872117.db2.gz CHYVQGCNRODWPW-UHFFFAOYSA-N -1 1 271.307 3.082 20 0 CGADMM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccccc1[O-] ZINC000155237013 371916695 /nfs/dbraw/zinc/91/66/95/371916695.db2.gz GMYIGUZCKNGBJB-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])o1 ZINC000424422857 372085668 /nfs/dbraw/zinc/08/56/68/372085668.db2.gz UDVBMCYHPHGCLF-WJNVRWDZSA-N -1 1 277.364 3.088 20 0 CGADMM CCC1(C)CN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000291039387 372100427 /nfs/dbraw/zinc/10/04/27/372100427.db2.gz HYGNCTYIXBPUAO-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2c(F)ccc([O-])c2F)CC12CCC2 ZINC000293541042 372406492 /nfs/dbraw/zinc/40/64/92/372406492.db2.gz AWNZYRHOWOQUQG-CQSZACIVSA-N -1 1 295.329 3.321 20 0 CGADMM CC(C)c1nc(=NC[C@H](c2ccccc2)C2CC2)o[n-]1 ZINC000431496470 372479962 /nfs/dbraw/zinc/47/99/62/372479962.db2.gz NQOYYUYYTCUOLC-CQSZACIVSA-N -1 1 271.364 3.221 20 0 CGADMM Cc1noc([C@H]2CCCN2Cc2cccc([O-])c2Cl)n1 ZINC000293894812 372516613 /nfs/dbraw/zinc/51/66/13/372516613.db2.gz KQQDKZWMFNQHHZ-LLVKDONJSA-N -1 1 293.754 3.074 20 0 CGADMM [O-]c1cccc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c1Cl ZINC000293908952 372521671 /nfs/dbraw/zinc/52/16/71/372521671.db2.gz FVRIVTMCQQJJKJ-JKSUJKDBSA-N -1 1 293.794 3.189 20 0 CGADMM CSCC1CCC(NC(=O)c2ccc([O-])cc2F)CC1 ZINC000295357869 372749490 /nfs/dbraw/zinc/74/94/90/372749490.db2.gz COZKBCSXOAWEQF-UHFFFAOYSA-N -1 1 297.395 3.183 20 0 CGADMM C[C@H]1CN(Cc2cccc([O-])c2Cl)CC(C)(C)O1 ZINC000295506396 372807028 /nfs/dbraw/zinc/80/70/28/372807028.db2.gz YVNUJGQRZYHCNM-JTQLQIEISA-N -1 1 269.772 3.045 20 0 CGADMM O=C(CCC1CCOCC1)Nc1ccc([O-])c(Cl)c1 ZINC000173380075 373132377 /nfs/dbraw/zinc/13/23/77/373132377.db2.gz XPISMEQFALXOTA-UHFFFAOYSA-N -1 1 283.755 3.191 20 0 CGADMM COc1cc(C)c(NC(=O)c2cc(F)ccc2[O-])cc1C ZINC000444618581 373215142 /nfs/dbraw/zinc/21/51/42/373215142.db2.gz KKYQCCOHLIZVDU-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])cc2F)C[C@H]1C ZINC000300418736 373634304 /nfs/dbraw/zinc/63/43/04/373634304.db2.gz BDTKZMOYZWOHGR-GMTAPVOTSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1nc(-c2ccc(N[C@H]3CCC[C@H]3C)nc2)[n-]c(=O)c1C ZINC000301392190 373769492 /nfs/dbraw/zinc/76/94/92/373769492.db2.gz BIRABBCEGRZVDH-YGRLFVJLSA-N -1 1 298.390 3.462 20 0 CGADMM CCOc1cc(C(=O)N[C@H]2CCC[C@H]2C)cc(Cl)c1[O-] ZINC000333973839 205890530 /nfs/dbraw/zinc/89/05/30/205890530.db2.gz KANBJIUMAMTZCF-SKDRFNHKSA-N -1 1 297.782 3.363 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCCCCC1 ZINC000019837513 296209613 /nfs/dbraw/zinc/20/96/13/296209613.db2.gz UXVSKAMYMNNZDQ-UHFFFAOYSA-N -1 1 253.729 3.062 20 0 CGADMM Cc1cc(C)cc(N(C)C(=O)c2ccc([O-])cc2F)c1 ZINC000181899324 374188157 /nfs/dbraw/zinc/18/81/57/374188157.db2.gz ZQBFGNWJKQNGPP-UHFFFAOYSA-N -1 1 273.307 3.425 20 0 CGADMM CC1(C)C(C(=O)Nc2c([O-])cccc2F)C1(C)C ZINC000074824866 541905951 /nfs/dbraw/zinc/90/59/51/541905951.db2.gz PXJVNGHQHGCUMW-UHFFFAOYSA-N -1 1 251.301 3.152 20 0 CGADMM CN(C)c1ccc(NCc2cccc([O-])c2Cl)cn1 ZINC000328194494 374360563 /nfs/dbraw/zinc/36/05/63/374360563.db2.gz DQHXCWIGDGTTPN-UHFFFAOYSA-N -1 1 277.755 3.119 20 0 CGADMM [O-]c1cccc(CNc2ccc(CCO)cc2)c1Cl ZINC000328438144 374365378 /nfs/dbraw/zinc/36/53/78/374365378.db2.gz CRSHMMRVUGRAGI-UHFFFAOYSA-N -1 1 277.751 3.193 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c([O-])c1 ZINC000329613191 374414935 /nfs/dbraw/zinc/41/49/35/374414935.db2.gz DUURWFACVUFHJN-KRWDZBQOSA-N -1 1 286.375 3.058 20 0 CGADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1ccc([O-])cc1F ZINC000456328188 374514613 /nfs/dbraw/zinc/51/46/13/374514613.db2.gz JJXQARVCHDLINO-UKRRQHHQSA-N -1 1 279.355 3.284 20 0 CGADMM C[C@@H]1CC[C@H](CC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000456781873 374622252 /nfs/dbraw/zinc/62/22/52/374622252.db2.gz JXHVOXLVWZVIOL-BDAKNGLRSA-N -1 1 269.291 3.435 20 0 CGADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456780256 374622363 /nfs/dbraw/zinc/62/23/63/374622363.db2.gz IQYVUCMANRPVGN-HTQZYQBOSA-N -1 1 257.280 3.291 20 0 CGADMM CC[C@H](C)c1cc(C(=O)Nc2ccc([O-])c(F)c2F)on1 ZINC000456786355 374623213 /nfs/dbraw/zinc/62/32/13/374623213.db2.gz OPQMFFRETFGWON-ZETCQYMHSA-N -1 1 296.273 3.424 20 0 CGADMM CCCC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463696087 374846866 /nfs/dbraw/zinc/84/68/66/374846866.db2.gz GZWRMLDJYIOJBN-UHFFFAOYSA-N -1 1 293.791 3.336 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H]1C1CC1 ZINC000334665419 374952712 /nfs/dbraw/zinc/95/27/12/374952712.db2.gz GOHMXHNJFGCXSF-OAHLLOKOSA-N -1 1 267.328 3.170 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc3ccccc3n2)n1 ZINC000188095131 375155025 /nfs/dbraw/zinc/15/50/25/375155025.db2.gz PCDWILHJOYMFEV-UHFFFAOYSA-N -1 1 297.383 3.173 20 0 CGADMM COc1cc(C(=O)N[C@@]2(C)CC=CCC2)cc(Cl)c1[O-] ZINC000335145131 375172087 /nfs/dbraw/zinc/17/20/87/375172087.db2.gz AJCFNWVRRAABBQ-HNNXBMFYSA-N -1 1 295.766 3.283 20 0 CGADMM C[N@@H+](Cc1nc(=O)c2sccc2[n-]1)[C@H]1CCC(C)(C)C1 ZINC000335707284 375363347 /nfs/dbraw/zinc/36/33/47/375363347.db2.gz XDBPVCMNQLKRLW-JTQLQIEISA-N -1 1 291.420 3.407 20 0 CGADMM COc1c(C)ccc(NC(=O)c2ccc([O-])cc2F)c1C ZINC000335827378 375463036 /nfs/dbraw/zinc/46/30/36/375463036.db2.gz UUUACTIOKJJSML-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM COc1cc(C(=O)N(C)C2CCCC2)cc(Cl)c1[O-] ZINC000335810195 375449031 /nfs/dbraw/zinc/44/90/31/375449031.db2.gz DXNWEQBRIIGXLZ-UHFFFAOYSA-N -1 1 283.755 3.069 20 0 CGADMM Oc1cc(F)cc(C[NH+]2CCC(c3nccs3)CC2)c1 ZINC000336566172 375836783 /nfs/dbraw/zinc/83/67/83/375836783.db2.gz YGJKGZIHNFTUQK-UHFFFAOYSA-N -1 1 292.379 3.367 20 0 CGADMM O=C(N[C@@H]1CCCCC12CCCC2)c1cncc([O-])c1 ZINC000336834410 375996773 /nfs/dbraw/zinc/99/67/73/375996773.db2.gz RASBPXOMLHWNQG-CQSZACIVSA-N -1 1 274.364 3.020 20 0 CGADMM O=C(Nc1ccc2ncsc2c1)c1cc(F)ccc1[O-] ZINC000227117589 376382477 /nfs/dbraw/zinc/38/24/77/376382477.db2.gz DDLUBCFVDOANPW-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM O=C([O-])c1coc(CNCc2cccc(C(F)(F)F)c2)c1 ZINC000228153989 376430726 /nfs/dbraw/zinc/43/07/26/376430726.db2.gz DXGOPCKYOTUXFX-UHFFFAOYSA-N -1 1 299.248 3.286 20 0 CGADMM O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)c1cncc([O-])c1 ZINC000339815638 376856487 /nfs/dbraw/zinc/85/64/87/376856487.db2.gz TXEBTKHIKOZDFE-IAGOWNOFSA-N -1 1 296.370 3.243 20 0 CGADMM Cc1ccccc1[C@@H](NC(=O)c1cncc([O-])c1)C(C)C ZINC000339934449 376875274 /nfs/dbraw/zinc/87/52/74/376875274.db2.gz RHIPQHHOLZQAAB-INIZCTEOSA-N -1 1 284.359 3.223 20 0 CGADMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340329375 377005359 /nfs/dbraw/zinc/00/53/59/377005359.db2.gz BPCLZALWXRXRAD-LLVKDONJSA-N -1 1 289.306 3.246 20 0 CGADMM CC(C)OCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278181522 193854561 /nfs/dbraw/zinc/85/45/61/193854561.db2.gz OGQZUNDKMLLHKI-UHFFFAOYSA-N -1 1 282.727 3.063 20 0 CGADMM O=C(NCC[C@@H]1CCCCO1)c1ccc2ccccc2c1[O-] ZINC000182813582 249055184 /nfs/dbraw/zinc/05/51/84/249055184.db2.gz YUPCXWYKXQWLJQ-AWEZNQCLSA-N -1 1 299.370 3.234 20 0 CGADMM C[C@@H]1CC[C@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1 ZINC000516586115 249238718 /nfs/dbraw/zinc/23/87/18/249238718.db2.gz HLGHMOAZSSWILT-SCZZXKLOSA-N -1 1 250.367 3.340 20 0 CGADMM CCC[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000518546710 249282755 /nfs/dbraw/zinc/28/27/55/249282755.db2.gz NNQNQDMHPDPZPK-GFCCVEGCSA-N -1 1 265.353 3.298 20 0 CGADMM Cc1cnc(SC[C@@H]2CCCCC2(F)F)[n-]c1=O ZINC000519001159 249290888 /nfs/dbraw/zinc/29/08/88/249290888.db2.gz RNHVOKVCCLIBFT-VIFPVBQESA-N -1 1 274.336 3.408 20 0 CGADMM O=C([O-])CC[C@@H]1CCCCN1Cc1nc(C2CC2)cs1 ZINC000574630052 377686576 /nfs/dbraw/zinc/68/65/76/377686576.db2.gz FVWAMZPSXAWHCG-LBPRGKRZSA-N -1 1 294.420 3.240 20 0 CGADMM Cc1ccccc1OCCN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000579961915 378212045 /nfs/dbraw/zinc/21/20/45/378212045.db2.gz RDVGNGJNPHEHFF-KRWDZBQOSA-N -1 1 299.370 3.132 20 0 CGADMM CC(C)(C)SCC(=O)Nc1ccc(F)cc1[O-] ZINC000269054710 378182077 /nfs/dbraw/zinc/18/20/77/378182077.db2.gz OQUFSQVYUPTNGS-UHFFFAOYSA-N -1 1 257.330 3.002 20 0 CGADMM Cc1cnc(SC[C@@H]2CCC3(CCCCC3)O2)[n-]c1=O ZINC000580097493 378225626 /nfs/dbraw/zinc/22/56/26/378225626.db2.gz PGDFBSXGPGVUFE-LBPRGKRZSA-N -1 1 294.420 3.465 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H]1C ZINC000271982678 378536504 /nfs/dbraw/zinc/53/65/04/378536504.db2.gz JWDWONYRJYLMCD-IUCAKERBSA-N -1 1 287.281 3.139 20 0 CGADMM CC[C@H]1C[C@H](c2nc(-c3ccc([O-])cc3F)no2)CCO1 ZINC000278228076 379320904 /nfs/dbraw/zinc/32/09/04/379320904.db2.gz RMKDUHDWQHAJSR-KOLCDFICSA-N -1 1 292.310 3.254 20 0 CGADMM Cc1ccc(C)c(NC(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000349798411 379389517 /nfs/dbraw/zinc/38/95/17/379389517.db2.gz DYJDFYZVZQYKRT-UHFFFAOYSA-N -1 1 287.388 3.008 20 0 CGADMM Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000350825019 379591984 /nfs/dbraw/zinc/59/19/84/379591984.db2.gz SFMBDPJZRXNPSC-UHFFFAOYSA-N -1 1 260.224 3.150 20 0 CGADMM [O-]c1ccc(-c2nc(-c3nccc4[nH]ccc43)no2)c(F)c1 ZINC000350568451 379561726 /nfs/dbraw/zinc/56/17/26/379561726.db2.gz XXUUVDHAHGBYRK-UHFFFAOYSA-N -1 1 296.261 3.125 20 0 CGADMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)co1 ZINC000350611894 379573362 /nfs/dbraw/zinc/57/33/62/379573362.db2.gz PEEJDOOZFHKKME-UHFFFAOYSA-N -1 1 260.224 3.150 20 0 CGADMM C[C@@H]1CC[N@H+](Cc2c(F)ccc(O)c2F)C[C@H]1C ZINC000351618898 379731262 /nfs/dbraw/zinc/73/12/62/379731262.db2.gz CCLUESWEVSACQL-NXEZZACHSA-N -1 1 255.308 3.148 20 0 CGADMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3c(F)ccc([O-])c3F)C2)C1 ZINC000377825552 379745660 /nfs/dbraw/zinc/74/56/60/379745660.db2.gz CRIHHZLNSAZGHO-QLJPJBMISA-N -1 1 295.329 3.323 20 0 CGADMM CC(C)(C)CC(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000352533020 379844604 /nfs/dbraw/zinc/84/46/04/379844604.db2.gz XFMFBFQEDGPDQN-UHFFFAOYSA-N -1 1 293.317 3.152 20 0 CGADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])C(F)(F)F ZINC000389532956 379901046 /nfs/dbraw/zinc/90/10/46/379901046.db2.gz XPNHXGMUPPMAJM-QMMMGPOBSA-N -1 1 283.249 3.226 20 0 CGADMM CCC(C)(C)[C@H]1CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000408370036 380007957 /nfs/dbraw/zinc/00/79/57/380007957.db2.gz GBDKNPDDXVGVCK-CYBMUJFWSA-N -1 1 276.380 3.136 20 0 CGADMM Cc1nc(SCCc2ccccn2)[n-]c(=O)c1C1CC1 ZINC000641543323 380023561 /nfs/dbraw/zinc/02/35/61/380023561.db2.gz PZBUDWAXEXTONW-UHFFFAOYSA-N -1 1 287.388 3.098 20 0 CGADMM CC(C)CCC[C@@H](C)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000354023741 380283340 /nfs/dbraw/zinc/28/33/40/380283340.db2.gz FNGPFRJVRBVIMW-LLVKDONJSA-N -1 1 295.452 3.084 20 0 CGADMM CC(C)=CCSC[C@H](NCc1ccc(C)s1)C(=O)[O-] ZINC000417604347 380647423 /nfs/dbraw/zinc/64/74/23/380647423.db2.gz BKZGLBHZMBWBHW-ZDUSSCGKSA-N -1 1 299.461 3.299 20 0 CGADMM CC(C)c1ncncc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000357370227 381130071 /nfs/dbraw/zinc/13/00/71/381130071.db2.gz HHWUCVZBWFXGKB-UHFFFAOYSA-N -1 1 291.738 3.211 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@@H]2c2cccs2)c([O-])c1 ZINC000334844629 207174316 /nfs/dbraw/zinc/17/43/16/207174316.db2.gz DKMMNISRGFWCHE-LLVKDONJSA-N -1 1 288.372 3.134 20 0 CGADMM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc(F)ccc3[O-])C2)C1 ZINC000368079087 382365407 /nfs/dbraw/zinc/36/54/07/382365407.db2.gz NIKMLVVMUGWGCH-BZNIZROVSA-N -1 1 277.339 3.184 20 0 CGADMM COc1cc(NC(=O)c2cc(F)ccc2[O-])c(C)cc1C ZINC000436931034 533016802 /nfs/dbraw/zinc/01/68/02/533016802.db2.gz YPWRKQHGCMJKKS-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1)c1c(F)ccc([O-])c1F ZINC000335351120 208254936 /nfs/dbraw/zinc/25/49/36/208254936.db2.gz DILHDIKDHIYKSJ-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM CC(C)C[C@H](C)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000312165625 542432940 /nfs/dbraw/zinc/43/29/40/542432940.db2.gz CEHWVGNRQZKDKL-BBRMVZONSA-N -1 1 275.392 3.353 20 0 CGADMM O=C([N-][C@@H](CC1CC1)c1ccccc1)C(F)(F)F ZINC000742114749 572553373 /nfs/dbraw/zinc/55/33/73/572553373.db2.gz UPNMUPVCAOYEEE-NSHDSACASA-N -1 1 257.255 3.206 20 0 CGADMM C[C@@H](CC(F)F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000413656537 533491507 /nfs/dbraw/zinc/49/15/07/533491507.db2.gz OMSXEQNMGUHWCK-LURJTMIESA-N -1 1 263.671 3.275 20 0 CGADMM C[C@@H]1CN(Cc2c(F)cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000388629246 542605482 /nfs/dbraw/zinc/60/54/82/542605482.db2.gz KENVCWWMXRKMDT-ZJUUUORDSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])CCS1 ZINC000191945009 130335666 /nfs/dbraw/zinc/33/56/66/130335666.db2.gz WFYCXSJOCXICKW-VIFPVBQESA-N -1 1 285.796 3.013 20 0 CGADMM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1ccccc1 ZINC000048654456 392007412 /nfs/dbraw/zinc/00/74/12/392007412.db2.gz ONXPNAJCSLNRCO-UHFFFAOYSA-N -1 1 299.298 3.089 20 0 CGADMM C[C@H](c1cccs1)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000049727584 392058972 /nfs/dbraw/zinc/05/89/72/392058972.db2.gz RLIBCKRSCWYGJL-SECBINFHSA-N -1 1 265.334 3.232 20 0 CGADMM CCSc1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1 ZINC000446134649 542669142 /nfs/dbraw/zinc/66/91/42/542669142.db2.gz CDBMDMJDKDCLRP-UHFFFAOYSA-N -1 1 283.356 3.097 20 0 CGADMM O=C(Nc1ccc(C2CCC2)cn1)c1ccc([O-])c(F)c1 ZINC000647487621 392739097 /nfs/dbraw/zinc/73/90/97/392739097.db2.gz AIBVYZOKUFUAND-UHFFFAOYSA-N 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UZKIQNNEHHWBQA-MRVPVSSYSA-N -1 1 262.284 3.485 20 0 CGADMM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000360884750 393606018 /nfs/dbraw/zinc/60/60/18/393606018.db2.gz LTZYSFAJFSLMGH-NXEZZACHSA-N -1 1 291.363 3.068 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccco3)n2)c(Cl)c1 ZINC000445450922 393795541 /nfs/dbraw/zinc/79/55/41/393795541.db2.gz YIWBLIQJPUJFPK-UHFFFAOYSA-N -1 1 262.652 3.356 20 0 CGADMM CS[C@@H](C)CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445460078 393796530 /nfs/dbraw/zinc/79/65/30/393796530.db2.gz MRYNRXBANYUSSN-QMMMGPOBSA-N -1 1 282.340 3.265 20 0 CGADMM [O-]c1ccc(-c2noc(C[C@@H]3C=CCC3)n2)c(F)c1 ZINC000445455504 393796916 /nfs/dbraw/zinc/79/69/16/393796916.db2.gz KVIJCNKXMCFGQA-SECBINFHSA-N -1 1 260.268 3.090 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C/C3CCC3)n2)cc1F ZINC000445481090 393799203 /nfs/dbraw/zinc/79/92/03/393799203.db2.gz OFNKVBJEEKPFBN-QPJJXVBHSA-N -1 1 260.268 3.395 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc3cc[nH]c3n2)no1 ZINC000445582750 393807977 /nfs/dbraw/zinc/80/79/77/393807977.db2.gz JYPKCKFFRVEFHP-UHFFFAOYSA-N -1 1 296.261 3.125 20 0 CGADMM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000457297260 394342882 /nfs/dbraw/zinc/34/28/82/394342882.db2.gz SFGXLIUVIAIEIF-HIFRSBDPSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N(CC1CC1)CC1CC1 ZINC000668814676 543065097 /nfs/dbraw/zinc/06/50/97/543065097.db2.gz RCBIQPQYHOUPDZ-UHFFFAOYSA-N -1 1 296.370 3.203 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1sccc1Cl ZINC000671784896 543189684 /nfs/dbraw/zinc/18/96/84/543189684.db2.gz DVEDVRWDAPRKEK-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cc3ccccn3n2)c([O-])c1 ZINC000672188876 543203148 /nfs/dbraw/zinc/20/31/48/543203148.db2.gz SVBSVUCBNYFSNU-UHFFFAOYSA-N -1 1 295.342 3.416 20 0 CGADMM CC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C1CCCCC1 ZINC000672836035 543228665 /nfs/dbraw/zinc/22/86/65/543228665.db2.gz BOSWODOVNDGSOK-HNNXBMFYSA-N -1 1 289.375 3.050 20 0 CGADMM Cc1cc2ccc(C(=O)Nc3ccc(F)cc3[O-])cn2c1 ZINC000673009150 543232305 /nfs/dbraw/zinc/23/23/05/543232305.db2.gz GVQSJSVZEKSJHY-UHFFFAOYSA-N -1 1 284.290 3.345 20 0 CGADMM CCc1c(C)[n-]n(Cc2ccccc2Cl)c1=O ZINC000110442998 397654403 /nfs/dbraw/zinc/65/44/03/397654403.db2.gz ZCRZHBALBIDHTD-LLVKDONJSA-N -1 1 250.729 3.084 20 0 CGADMM O=C(CC1CCSCC1)Nc1c([O-])cccc1F ZINC000675600740 543348204 /nfs/dbraw/zinc/34/82/04/543348204.db2.gz KZZGFMJEHTUFFW-UHFFFAOYSA-N -1 1 269.341 3.003 20 0 CGADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])c(C)s1 ZINC000676055767 543380226 /nfs/dbraw/zinc/38/02/26/543380226.db2.gz NNLJKBRMPWWEKK-UHFFFAOYSA-N -1 1 265.309 3.462 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc(F)c(F)cc1F ZINC000676624587 543407329 /nfs/dbraw/zinc/40/73/29/543407329.db2.gz FHIULCCYCQOYIY-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM COc1cc(-c2nc3cccc(F)c3c(=O)[n-]2)ccc1C ZINC000677234502 543440479 /nfs/dbraw/zinc/44/04/79/543440479.db2.gz ZVXGENCOVXLPQT-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM C[C@@H]1COC(C)(C)CN1Cc1cccc([O-])c1Cl ZINC000353191415 297115681 /nfs/dbraw/zinc/11/56/81/297115681.db2.gz KDFCEIXJKJBJNL-SNVBAGLBSA-N -1 1 269.772 3.045 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1F ZINC000048653463 286908604 /nfs/dbraw/zinc/90/86/04/286908604.db2.gz MMZAXTWCDCHPTD-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CCOC[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000081467786 287073401 /nfs/dbraw/zinc/07/34/01/287073401.db2.gz BANUCSUFUJIARH-CYBMUJFWSA-N -1 1 299.370 3.044 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2c(F)cccc2F)no1 ZINC000082339051 287078911 /nfs/dbraw/zinc/07/89/11/287078911.db2.gz CPXOYWVNFHTTQU-UHFFFAOYSA-N -1 1 266.247 3.329 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000082192692 165168832 /nfs/dbraw/zinc/16/88/32/165168832.db2.gz JBIODBVRDNYDSJ-UHFFFAOYSA-N -1 1 251.669 3.199 20 0 CGADMM O=C(Nc1c[nH]nc1-c1ccccc1)c1cc(F)ccc1[O-] ZINC000179904976 165647025 /nfs/dbraw/zinc/64/70/25/165647025.db2.gz CDMLKUNEMVYERX-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C(NCc1ccc(F)cc1)c1ccc(Cl)cc1[O-] ZINC000007345403 170278551 /nfs/dbraw/zinc/27/85/51/170278551.db2.gz JAIOGFWKRJDYKR-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCCCCCC1 ZINC000020266266 171122795 /nfs/dbraw/zinc/12/27/95/171122795.db2.gz RPQSMSIFQBNTIL-UHFFFAOYSA-N -1 1 267.756 3.452 20 0 CGADMM CCC(CC)NC(=O)c1ccc2ccccc2c1[O-] ZINC000021816442 171332312 /nfs/dbraw/zinc/33/23/12/171332312.db2.gz PDSQETVJUXERHT-UHFFFAOYSA-N -1 1 257.333 3.464 20 0 CGADMM CCC(CC)Sc1cccc(F)c1-c1nn[n-]n1 ZINC000736348922 572783915 /nfs/dbraw/zinc/78/39/15/572783915.db2.gz DDCKXVQWZVLXCV-UHFFFAOYSA-N -1 1 266.345 3.287 20 0 CGADMM CC1(C(=O)[O-])CCN(Cc2ccsc2Cl)CC1 ZINC000308351869 416529986 /nfs/dbraw/zinc/52/99/86/416529986.db2.gz CJPNKNZHRBJQCH-UHFFFAOYSA-N -1 1 273.785 3.088 20 0 CGADMM COC[C@@H](C)Cc1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000404247489 416551733 /nfs/dbraw/zinc/55/17/33/416551733.db2.gz HMNKSFSNIZBOQN-NSHDSACASA-N -1 1 298.342 3.420 20 0 CGADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)[nH]1 ZINC000679644665 543653180 /nfs/dbraw/zinc/65/31/80/543653180.db2.gz RTLTVUMJXYQHAA-UHFFFAOYSA-N -1 1 264.712 3.243 20 0 CGADMM COc1cc(C)c(NC(=O)c2ccc([O-])c(F)c2)cc1F ZINC000681361579 543782737 /nfs/dbraw/zinc/78/27/37/543782737.db2.gz WULWLMBCVCSNQZ-UHFFFAOYSA-N -1 1 293.269 3.240 20 0 CGADMM O=C(NCc1ccc(Cl)cc1)c1ccc([O-])c(F)c1 ZINC000681014726 543756516 /nfs/dbraw/zinc/75/65/16/543756516.db2.gz JLKLZGZBKWDJKQ-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM CN(Cc1cccc(Cl)c1)C(=O)c1ccc([O-])c(F)c1 ZINC000681016539 543756611 /nfs/dbraw/zinc/75/66/11/543756611.db2.gz QXECVCFAEYBCMZ-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM CN(Cc1ccc(F)cc1F)C(=O)c1ccc([O-])c(F)c1 ZINC000681014887 543756681 /nfs/dbraw/zinc/75/66/81/543756681.db2.gz SAEUOXGYCAYCFB-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)c(C)c1 ZINC000681016107 543756958 /nfs/dbraw/zinc/75/69/58/543756958.db2.gz XCRJJJCMQAYEQJ-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681043143 543759284 /nfs/dbraw/zinc/75/92/84/543759284.db2.gz XVIDHXBRPWJPBA-AAEUAGOBSA-N -1 1 279.355 3.476 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCCc2ccccc2C1 ZINC000681043359 543759748 /nfs/dbraw/zinc/75/97/48/543759748.db2.gz MRUHCXFAUDDDDD-UHFFFAOYSA-N -1 1 285.318 3.120 20 0 CGADMM CC(C)[C@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681046915 543760127 /nfs/dbraw/zinc/76/01/27/543760127.db2.gz GMMBBMZCVZKOIK-CYBMUJFWSA-N -1 1 265.328 3.182 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000681049176 543760559 /nfs/dbraw/zinc/76/05/59/543760559.db2.gz CBXCUYOOSAWDER-ZBEGNZNMSA-N -1 1 285.318 3.365 20 0 CGADMM CC(C)(CNC(=O)c1ccc([O-])c(F)c1)c1cccs1 ZINC000681046120 543760574 /nfs/dbraw/zinc/76/05/74/543760574.db2.gz CRMCDVZJTLUYSW-UHFFFAOYSA-N -1 1 293.363 3.300 20 0 CGADMM CCN(C(=O)c1ccc([O-])c(F)c1)[C@H](C)c1cccnc1 ZINC000681047092 543760643 /nfs/dbraw/zinc/76/06/43/543760643.db2.gz UFIGWPMMLFOCGQ-LLVKDONJSA-N -1 1 288.322 3.150 20 0 CGADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681053588 543761311 /nfs/dbraw/zinc/76/13/11/543761311.db2.gz UVETUGWKGOQGNE-MFKMUULPSA-N -1 1 279.355 3.476 20 0 CGADMM Cc1cnc(C(=O)N2CCCC[C@H]2c2ccccc2)c([O-])c1 ZINC000681746279 543805602 /nfs/dbraw/zinc/80/56/02/543805602.db2.gz OGEDMYRMPRFYOV-HNNXBMFYSA-N -1 1 296.370 3.463 20 0 CGADMM CC(C)N(CC1CCC1)C(=O)c1ccc([O-])c(F)c1 ZINC000683514402 543918792 /nfs/dbraw/zinc/91/87/92/543918792.db2.gz DPRFHHSPIBKNKD-UHFFFAOYSA-N -1 1 265.328 3.182 20 0 CGADMM CCC(=O)c1cccc(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000131993901 287394589 /nfs/dbraw/zinc/39/45/89/287394589.db2.gz ABUROFDXJMMPFG-UHFFFAOYSA-N -1 1 299.326 3.246 20 0 CGADMM O=C([O-])[C@H](NCc1ccc(F)cc1)c1cc(F)ccc1F ZINC000683173427 543901030 /nfs/dbraw/zinc/90/10/30/543901030.db2.gz HPIPCGCRKWAQQP-CQSZACIVSA-N -1 1 295.260 3.019 20 0 CGADMM CC(C)(CC(=O)Nc1c([O-])cccc1F)C(F)(F)F ZINC000684577263 544016102 /nfs/dbraw/zinc/01/61/02/544016102.db2.gz OYYZPNDXSLUSIC-UHFFFAOYSA-N -1 1 279.233 3.448 20 0 CGADMM Cc1ccc2c(c1)N(C(=O)c1c(F)ccc([O-])c1F)CC2 ZINC000685427451 544067964 /nfs/dbraw/zinc/06/79/64/544067964.db2.gz UZAAWLAGIPNFOA-UHFFFAOYSA-N -1 1 289.281 3.182 20 0 CGADMM O=C(NCC1CCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870927 544034894 /nfs/dbraw/zinc/03/48/94/544034894.db2.gz RXZXOVSLOMJGJD-UHFFFAOYSA-N -1 1 287.281 3.331 20 0 CGADMM C[C@@H](C1CC1)N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871398 544035042 /nfs/dbraw/zinc/03/50/42/544035042.db2.gz IRZOMIWANUUPMP-QMMMGPOBSA-N -1 1 287.281 3.282 20 0 CGADMM Cc1ncccc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000685575382 544086077 /nfs/dbraw/zinc/08/60/77/544086077.db2.gz OUGLESUWOBSOJA-UHFFFAOYSA-N -1 1 283.303 3.116 20 0 CGADMM C[C@@H]1Cc2ccccc2N1C(=O)c1cc(F)ccc1[O-] ZINC000132862944 287412058 /nfs/dbraw/zinc/41/20/58/287412058.db2.gz AFDIVEPBXLVVFZ-SNVBAGLBSA-N -1 1 271.291 3.123 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1coc(-c2ccccc2)n1 ZINC000133019062 287415373 /nfs/dbraw/zinc/41/53/73/287415373.db2.gz PLURDBPNIQUFCX-UHFFFAOYSA-N -1 1 297.314 3.453 20 0 CGADMM O=C(N[C@H]1CCc2ccccc21)c1c(F)ccc([O-])c1F ZINC000336396811 226969851 /nfs/dbraw/zinc/96/98/51/226969851.db2.gz RVDLOAUTLCMBCW-LBPRGKRZSA-N -1 1 289.281 3.088 20 0 CGADMM CC(C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000134964583 287457198 /nfs/dbraw/zinc/45/71/98/287457198.db2.gz DYLOCIGVBFRMQF-SNVBAGLBSA-N -1 1 267.756 3.164 20 0 CGADMM CO[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CCCC1 ZINC000664849249 419014373 /nfs/dbraw/zinc/01/43/73/419014373.db2.gz GDCLUDLRYSESCZ-ZDUSSCGKSA-N -1 1 292.310 3.459 20 0 CGADMM CCS(=O)(=O)[N-]c1cc(-c2cocc2C)ccc1OC ZINC000665199227 419078281 /nfs/dbraw/zinc/07/82/81/419078281.db2.gz ZUUFUPNYRCRVMQ-UHFFFAOYSA-N -1 1 295.360 3.025 20 0 CGADMM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000665666715 419145907 /nfs/dbraw/zinc/14/59/07/419145907.db2.gz FQIMLTONCHAJHR-YPMHNXCESA-N -1 1 279.355 3.476 20 0 CGADMM CCc1ccc(CN[C@H](C(=O)[O-])[C@@H](C)c2ccccc2)o1 ZINC000656569403 419184175 /nfs/dbraw/zinc/18/41/75/419184175.db2.gz PSVSZZACACEYEZ-LRDDRELGSA-N -1 1 287.359 3.189 20 0 CGADMM O=C([O-])C12CC(C1)CN2Cc1ccc(Cl)c(Cl)c1 ZINC000656759504 419210674 /nfs/dbraw/zinc/21/06/74/419210674.db2.gz HGPFUTJRCQSWSW-UHFFFAOYSA-N -1 1 286.158 3.042 20 0 CGADMM CCC[C@H](NCc1cccc(C(=O)[O-])c1)c1ccccn1 ZINC000666574325 419226725 /nfs/dbraw/zinc/22/67/25/419226725.db2.gz KVAVHHZZEWIBDD-HNNXBMFYSA-N -1 1 284.359 3.411 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CNCc2cccc(C(=O)[O-])c2)o1 ZINC000666573415 419226944 /nfs/dbraw/zinc/22/69/44/419226944.db2.gz MVZZDENIBGSXQL-XHDPSFHLSA-N -1 1 285.343 3.391 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CNCc2cccc(C(=O)[O-])c2)o1 ZINC000666573414 419227132 /nfs/dbraw/zinc/22/71/32/419227132.db2.gz MVZZDENIBGSXQL-NHYWBVRUSA-N -1 1 285.343 3.391 20 0 CGADMM Cc1cc(F)c(CN2CCC[C@@H](CC(=O)[O-])C2)c(Cl)c1 ZINC000666580528 419227487 /nfs/dbraw/zinc/22/74/87/419227487.db2.gz LSCNKHLECJUYTD-NSHDSACASA-N -1 1 299.773 3.474 20 0 CGADMM CC12CC(C1)CN2[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000663315563 419551901 /nfs/dbraw/zinc/55/19/01/419551901.db2.gz JTXQNIDMGGUWJW-YEMQSEFVSA-N -1 1 283.730 3.089 20 0 CGADMM CC(C)CCO[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182864784 260063796 /nfs/dbraw/zinc/06/37/96/260063796.db2.gz WKSRGKSMJPZWFR-JTQLQIEISA-N -1 1 285.771 3.435 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cnc(C)s2)n1 ZINC000193861432 270080256 /nfs/dbraw/zinc/08/02/56/270080256.db2.gz CDGFVZKJBYYKGD-UHFFFAOYSA-N -1 1 281.406 3.192 20 0 CGADMM C[C@@H]1[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)[C@H]1C1CC1 ZINC000528874159 270174987 /nfs/dbraw/zinc/17/49/87/270174987.db2.gz FVORLGHPKPDDSI-YLJLNXRRSA-N -1 1 265.740 3.276 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2ccc([O-])cc2F)CC1(C)C ZINC000294009787 280061276 /nfs/dbraw/zinc/06/12/76/280061276.db2.gz SLSKFMJGPDIITE-ZDUSSCGKSA-N -1 1 265.328 3.038 20 0 CGADMM CC(C)[C@H](O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539054 288260768 /nfs/dbraw/zinc/26/07/68/288260768.db2.gz OMEVAFZYHPWPSM-ZDUSSCGKSA-N -1 1 293.750 3.154 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCOC1 ZINC000529539789 288260979 /nfs/dbraw/zinc/26/09/79/288260979.db2.gz UIJIMIFYNPGFLA-SECBINFHSA-N -1 1 291.734 3.174 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)C1(O)CCC1 ZINC000529539416 288261075 /nfs/dbraw/zinc/26/10/75/288261075.db2.gz RWMHUPSXWZWZNN-UHFFFAOYSA-N -1 1 291.734 3.052 20 0 CGADMM C[C@@H]1CC(F)(F)CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000530013071 288285039 /nfs/dbraw/zinc/28/50/39/288285039.db2.gz HJQLGYDBMONNGE-MRVPVSSYSA-N -1 1 289.709 3.305 20 0 CGADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1cccc(F)c1[O-] ZINC000530006500 288282194 /nfs/dbraw/zinc/28/21/94/288282194.db2.gz SRELPIZGSLLZNT-ZJUUUORDSA-N -1 1 251.301 3.296 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C1(C(F)F)CCCC1 ZINC000530006518 288282198 /nfs/dbraw/zinc/28/21/98/288282198.db2.gz UFOLKUHSWRBCEC-UHFFFAOYSA-N -1 1 273.254 3.295 20 0 CGADMM CC[C@@H]1C[C@@H](CC(=O)Nc2cccc(F)c2[O-])CCO1 ZINC000530007187 288282541 /nfs/dbraw/zinc/28/25/41/288282541.db2.gz ZNVPSRBOXCJHSU-WDEREUQCSA-N -1 1 281.327 3.065 20 0 CGADMM CCCc1nc(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cs1 ZINC000530174753 288293576 /nfs/dbraw/zinc/29/35/76/288293576.db2.gz AKHZMDXUTGGMRD-ZSBIGDGJSA-N -1 1 296.436 3.169 20 0 CGADMM CCc1ccc(OCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532012436 288349930 /nfs/dbraw/zinc/34/99/30/288349930.db2.gz AXWDGDYOBCKAQD-UHFFFAOYSA-N -1 1 289.306 3.111 20 0 CGADMM CCCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000551502170 289117514 /nfs/dbraw/zinc/11/75/14/289117514.db2.gz FYBYRKMLTUBGPY-UHFFFAOYSA-N -1 1 293.791 3.336 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCc2scnc2C)n1 ZINC000172292595 321939021 /nfs/dbraw/zinc/93/90/21/321939021.db2.gz MAXVJGXCSIJEMO-UHFFFAOYSA-N -1 1 295.433 3.234 20 0 CGADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@H](C)S1 ZINC000564338187 322028191 /nfs/dbraw/zinc/02/81/91/322028191.db2.gz XJFMKYMZNMWEMS-UWVGGRQHSA-N -1 1 299.823 3.364 20 0 CGADMM Cc1cc(CN(C)Cc2ccoc2C(=O)[O-])ccc1F ZINC000566802428 322138660 /nfs/dbraw/zinc/13/86/60/322138660.db2.gz HECHHTMASZRIPY-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM Cc1cccnc1CN1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000566807657 322139238 /nfs/dbraw/zinc/13/92/38/322139238.db2.gz FXYNEAKKAUREQR-DLBZAZTESA-N -1 1 296.370 3.180 20 0 CGADMM O=C([O-])[C@H](c1ccsc1)N1CCc2cc(F)ccc2C1 ZINC000571172055 322292082 /nfs/dbraw/zinc/29/20/82/322292082.db2.gz KAIOPHHNRCXKEV-AWEZNQCLSA-N -1 1 291.347 3.071 20 0 CGADMM CN(Cc1ccc(F)cc1Cl)CC1(CC(=O)[O-])CC1 ZINC000571291813 322295007 /nfs/dbraw/zinc/29/50/07/322295007.db2.gz VSMIXEOUKLHJPB-UHFFFAOYSA-N -1 1 285.746 3.166 20 0 CGADMM O=C([O-])CCN(Cc1cccc(F)c1F)[C@@H]1C=CCCC1 ZINC000582909456 329287014 /nfs/dbraw/zinc/28/70/14/329287014.db2.gz MLWQKQHSHUKTPF-CYBMUJFWSA-N -1 1 295.329 3.350 20 0 CGADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C)cc2)[n-]c1=O ZINC000347453654 335379490 /nfs/dbraw/zinc/37/94/90/335379490.db2.gz VMBXVZQHDYCTQU-XFXZXTDPSA-N -1 1 298.342 3.228 20 0 CGADMM O=C(NCC1CC(F)(F)C1)c1ccc2ccccc2c1[O-] ZINC000383146678 336105060 /nfs/dbraw/zinc/10/50/60/336105060.db2.gz GOOUPCCAEPHLKU-UHFFFAOYSA-N -1 1 291.297 3.321 20 0 CGADMM CC[C@H]1CO[C@H](C)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000387183363 336187376 /nfs/dbraw/zinc/18/73/76/336187376.db2.gz XIVBOYRBRUIAMY-OCCSQVGLSA-N -1 1 299.370 3.185 20 0 CGADMM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cncc([O-])c1 ZINC000387307549 336191242 /nfs/dbraw/zinc/19/12/42/336191242.db2.gz QVCKXUORFIRTRA-UHFFFAOYSA-N -1 1 298.386 3.357 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)[C@@H](C)c1ccccc1 ZINC000436609583 533741927 /nfs/dbraw/zinc/74/19/27/533741927.db2.gz SGQUDZYCYJJQJV-NEPJUHHUSA-N -1 1 287.334 3.453 20 0 CGADMM C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000152791807 533894664 /nfs/dbraw/zinc/89/46/64/533894664.db2.gz KTVYUDVPQOITAV-LDYMZIIASA-N -1 1 298.180 3.073 20 0 CGADMM C[C@H](CN(C)C(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000436947016 534015940 /nfs/dbraw/zinc/01/59/40/534015940.db2.gz QGTDJTJZMMWZSS-GFCCVEGCSA-N -1 1 287.334 3.407 20 0 CGADMM CC1(C)CN(C(=O)c2ccc(Cl)cc2[O-])CCS1 ZINC000081927647 520453167 /nfs/dbraw/zinc/45/31/67/520453167.db2.gz SFGYTBUICJQLIQ-UHFFFAOYSA-N -1 1 285.796 3.013 20 0 CGADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000436898436 534554880 /nfs/dbraw/zinc/55/48/80/534554880.db2.gz AVRDOFHMNYPZPA-MRVPVSSYSA-N -1 1 289.709 3.211 20 0 CGADMM Cc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000358987163 534625576 /nfs/dbraw/zinc/62/55/76/534625576.db2.gz WMQFAVDEBGJCBS-UHFFFAOYSA-N -1 1 293.326 3.343 20 0 CGADMM CO[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CC[C@@H]1C ZINC000187832331 523734997 /nfs/dbraw/zinc/73/49/97/523734997.db2.gz DGOWAQSMKBWLQO-YVEFUNNKSA-N -1 1 299.370 3.042 20 0 CGADMM O=C(Nc1cc(F)cc(Cl)c1O)c1ccc(F)cc1[O-] ZINC000436907155 534820428 /nfs/dbraw/zinc/82/04/28/534820428.db2.gz RPCTWRHTCKKQHW-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1cncc([O-])c1 ZINC000111571361 525985823 /nfs/dbraw/zinc/98/58/23/525985823.db2.gz KAMLGSDYWUUQRT-LLVKDONJSA-N -1 1 296.326 3.333 20 0 CGADMM C[C@@H](c1ccco1)N(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000094038366 526127112 /nfs/dbraw/zinc/12/71/12/526127112.db2.gz SVCHQGLJNOGUKP-JTQLQIEISA-N -1 1 289.306 3.490 20 0 CGADMM CC(C)(CN=c1[n-]c(C(F)(F)F)cs1)OCC1CC1 ZINC000413517578 527089447 /nfs/dbraw/zinc/08/94/47/527089447.db2.gz SJVQEQLUDLQWLE-UHFFFAOYSA-N -1 1 294.342 3.201 20 0 CGADMM CC[C@H]1CC[C@H](NC(=O)c2ccc([O-])cc2F)CC1 ZINC000436896896 529257035 /nfs/dbraw/zinc/25/70/35/529257035.db2.gz URYPQVLJNSNIIL-XYPYZODXSA-N -1 1 265.328 3.230 20 0 CGADMM CC[C@H](CC(F)F)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000411575448 529318408 /nfs/dbraw/zinc/31/84/08/529318408.db2.gz XDWLSRCDQYFGQY-MRVPVSSYSA-N -1 1 299.346 3.180 20 0 CGADMM CC[C@@H](C)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436877856 529337793 /nfs/dbraw/zinc/33/77/93/529337793.db2.gz HZIDJZUGDPEKAQ-MRVPVSSYSA-N -1 1 250.273 3.170 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H](C)CCC=C(C)C)s[n-]1 ZINC000450681215 536498879 /nfs/dbraw/zinc/49/88/79/536498879.db2.gz ZXGJTJJZCFAJHH-WDEREUQCSA-N -1 1 269.414 3.214 20 0 CGADMM CC/C=C\COC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000727044349 571706792 /nfs/dbraw/zinc/70/67/92/571706792.db2.gz SOHJGLVVJCVGRG-PLNGDYQASA-N -1 1 260.293 3.101 20 0 CGADMM c1cc(NCC2CCCCCCC2)nc(-c2nnn[n-]2)c1 ZINC000738412958 571726808 /nfs/dbraw/zinc/72/68/08/571726808.db2.gz KDSINLXTXKVQHE-UHFFFAOYSA-N -1 1 286.383 3.034 20 0 CGADMM c1cc(NCC2CCCCCCC2)nc(-c2nn[n-]n2)c1 ZINC000738412958 571726813 /nfs/dbraw/zinc/72/68/13/571726813.db2.gz KDSINLXTXKVQHE-UHFFFAOYSA-N -1 1 286.383 3.034 20 0 CGADMM C[C@H](NC(=O)c1ncccc1[O-])c1csc2ccccc21 ZINC000730035022 571943380 /nfs/dbraw/zinc/94/33/80/571943380.db2.gz GHUBQGALYKQQEH-JTQLQIEISA-N -1 1 298.367 3.493 20 0 CGADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1C[C@@H](C)CCC[C@@H]1C ZINC000738287123 572369578 /nfs/dbraw/zinc/36/95/78/572369578.db2.gz AIUUMJGGWQUSPP-UWVGGRQHSA-N -1 1 299.802 3.011 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN(C)[C@H](C)c1cccc(O)c1 ZINC000738957136 572397737 /nfs/dbraw/zinc/39/77/37/572397737.db2.gz HZPYMLFKVZLHOW-SNVBAGLBSA-N -1 1 289.331 3.185 20 0 CGADMM CC[C@H](c1ccc(F)cc1F)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739278985 572407346 /nfs/dbraw/zinc/40/73/46/572407346.db2.gz PHUNYLQAJXZRTH-IINYFYTJSA-N -1 1 298.333 3.005 20 0 CGADMM C[C@H](c1cc(F)ccc1F)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173880 572504310 /nfs/dbraw/zinc/50/43/10/572504310.db2.gz GOXUAUJOTVGKHE-RULNRJAQSA-N -1 1 298.333 3.004 20 0 CGADMM Fc1cccc(F)c1Oc1cccc(F)c1-c1nnn[n-]1 ZINC000737659205 572575379 /nfs/dbraw/zinc/57/53/79/572575379.db2.gz ATDZYKPUGNHPOR-UHFFFAOYSA-N -1 1 292.220 3.076 20 0 CGADMM Fc1cccc(F)c1Oc1cccc(F)c1-c1nn[n-]n1 ZINC000737659205 572575384 /nfs/dbraw/zinc/57/53/84/572575384.db2.gz ATDZYKPUGNHPOR-UHFFFAOYSA-N -1 1 292.220 3.076 20 0 CGADMM CS[C@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000735332035 572715180 /nfs/dbraw/zinc/71/51/80/572715180.db2.gz VTDZCMNWZSLSIL-ZJUUUORDSA-N -1 1 299.823 3.450 20 0 CGADMM CC/C=C(/C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744550085 572763076 /nfs/dbraw/zinc/76/30/76/572763076.db2.gz XNTXFGDENHXEJP-WZUFQYTHSA-N -1 1 276.332 3.037 20 0 CGADMM C/C(=C\CSc1nc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC000736121055 572769443 /nfs/dbraw/zinc/76/94/43/572769443.db2.gz IWVZHPGFYMUXBI-QPJJXVBHSA-N -1 1 282.752 3.339 20 0 CGADMM CCCC[C@H]1CCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000736441685 572792102 /nfs/dbraw/zinc/79/21/02/572792102.db2.gz SSZDLRAENNVHGU-NWDGAFQWSA-N -1 1 286.383 3.033 20 0 CGADMM CCCC[C@H]1CCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000736441685 572792105 /nfs/dbraw/zinc/79/21/05/572792105.db2.gz SSZDLRAENNVHGU-NWDGAFQWSA-N -1 1 286.383 3.033 20 0 CGADMM O=C(OCC1CCCC1)c1c([O-])cc(F)cc1F ZINC000749278718 572991530 /nfs/dbraw/zinc/99/15/30/572991530.db2.gz KTVMKKPPAQDQEE-UHFFFAOYSA-N -1 1 256.248 3.017 20 0 CGADMM O=C([O-])c1ccc2c(c1)CN(c1ccnc3ccccc31)C2 ZINC000316943933 600227860 /nfs/dbraw/zinc/22/78/60/600227860.db2.gz BOWDWXBZIOBKNG-UHFFFAOYSA-N -1 1 290.322 3.453 20 0 CGADMM C/C(=C/CN1CCC[C@@H]1c1ccc(F)c(F)c1)C(=O)[O-] ZINC000825741205 601167181 /nfs/dbraw/zinc/16/71/81/601167181.db2.gz JXJOSSREBZWNMN-LBIZBFCRSA-N -1 1 281.302 3.133 20 0 CGADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])co2)[C@@H]1c1ccccc1 ZINC000828455661 601178722 /nfs/dbraw/zinc/17/87/22/601178722.db2.gz DVCVUHIOUFPTFB-ABAIWWIYSA-N -1 1 271.316 3.171 20 0 CGADMM Cc1cccc2c1CCN(Cc1ccc(C(=O)[O-])c(F)c1)C2 ZINC000832973462 601629704 /nfs/dbraw/zinc/62/97/04/601629704.db2.gz AZCGCEICOLRZJX-UHFFFAOYSA-N -1 1 299.345 3.391 20 0 CGADMM CCC(CC)(CC(=O)[O-])NCc1ncc(C(C)(C)C)o1 ZINC000828805042 601634662 /nfs/dbraw/zinc/63/46/62/601634662.db2.gz ZQBKTZRCINAIAW-UHFFFAOYSA-N -1 1 282.384 3.095 20 0 CGADMM C[C@H](C(=O)[O-])[C@H](NC/C(Cl)=C/Cl)c1ccccc1 ZINC000826055017 602046808 /nfs/dbraw/zinc/04/68/08/602046808.db2.gz URTQWZHSAANQKQ-LOXDNXAJSA-N -1 1 288.174 3.357 20 0 CGADMM C[C@H](c1ccc(F)cc1F)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173055 602789169 /nfs/dbraw/zinc/78/91/69/602789169.db2.gz DZAQAYJPGKKHBO-RULNRJAQSA-N -1 1 298.333 3.004 20 0 CGADMM C[C@@H]1CC(n2[n-]c3c(c2=O)CCCCCC3)C[C@@H](C)O1 ZINC000899361004 620668234 /nfs/dbraw/zinc/66/82/34/620668234.db2.gz RMEXMMKSTHVZMK-BZPMIXESSA-N -1 1 278.396 3.111 20 0 CGADMM O=C([O-])c1ccc(CN2CCC(C(F)F)CC2)cc1F ZINC000307869346 604393230 /nfs/dbraw/zinc/39/32/30/604393230.db2.gz KARNWNIRUJDKQH-UHFFFAOYSA-N -1 1 287.281 3.001 20 0 CGADMM CN(Cc1ccc(-c2ccccc2F)o1)C(C)(C)C(=O)[O-] ZINC000833694230 604627632 /nfs/dbraw/zinc/62/76/32/604627632.db2.gz LJJQWCOLYVFELX-UHFFFAOYSA-N -1 1 291.322 3.381 20 0 CGADMM Cc1nc([C@H](C)N[C@@H](CNC(=O)[O-])CC(C)C)c(C)s1 ZINC000830710072 605502214 /nfs/dbraw/zinc/50/22/14/605502214.db2.gz YHJXZQXNPTWRII-JOYOIKCWSA-N -1 1 299.440 3.093 20 0 CGADMM Cc1occc1CN[C@H]1C[C@H](NC(=O)[O-])c2ccccc21 ZINC000833939174 605793578 /nfs/dbraw/zinc/79/35/78/605793578.db2.gz ROGYOTUZYYHNMD-GJZGRUSLSA-N -1 1 286.331 3.131 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CN2CCCCC[C@@H]2C(=O)[O-])o1 ZINC000086814477 605928616 /nfs/dbraw/zinc/92/86/16/605928616.db2.gz RJELWSDGZMMOOW-KWCYVHTRSA-N -1 1 277.364 3.232 20 0 CGADMM Cc1ccc(CN[C@@H](C)c2nc(C(=O)[O-])c(C)s2)s1 ZINC000900075463 620755944 /nfs/dbraw/zinc/75/59/44/620755944.db2.gz UWFFBXFZSBLDRQ-QMMMGPOBSA-N -1 1 296.417 3.370 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@]12CCO[C@H]1CCCC2 ZINC000935020639 618719682 /nfs/dbraw/zinc/71/96/82/618719682.db2.gz GVOZXPMODBDCHF-ZFWWWQNUSA-N -1 1 295.766 3.333 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc2ccccc2c1[O-] ZINC000318067766 619259021 /nfs/dbraw/zinc/25/90/21/619259021.db2.gz JVJDMWJKXSGJQZ-BETUJISGSA-N -1 1 298.386 3.453 20 0 CGADMM C[C@H]1CC[C@@H](CNC(=O)c2c([O-])cccc2Cl)C1 ZINC000794257470 619740928 /nfs/dbraw/zinc/74/09/28/619740928.db2.gz ACDJSEIEVJCPNW-VHSXEESVSA-N -1 1 267.756 3.212 20 0 CGADMM CCCc1nsc([N-]c2cnn(C3CCC3)c2)n1 ZINC000897108244 620144556 /nfs/dbraw/zinc/14/45/56/620144556.db2.gz XHRYJYWRIDMCRI-UHFFFAOYSA-N -1 1 263.370 3.156 20 0 CGADMM Cc1cccc(CO[N-]C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)n1 ZINC000898931576 620610575 /nfs/dbraw/zinc/61/05/75/620610575.db2.gz VBJQRTVVMLVHOD-AEFFLSMTSA-N -1 1 296.370 3.132 20 0 CGADMM O=C([O-])c1cc(CN(C2CC2)[C@@H]2CCc3ccccc32)on1 ZINC000901425201 620883156 /nfs/dbraw/zinc/88/31/56/620883156.db2.gz XAKYFACKAVJSJZ-MRXNPFEDSA-N -1 1 298.342 3.025 20 0 CGADMM O=C([O-])CC[C@H]1CCCN(Cc2ccc(Cl)o2)C1 ZINC000901552578 620936567 /nfs/dbraw/zinc/93/65/67/620936567.db2.gz DANHYCLQEOOSRY-SNVBAGLBSA-N -1 1 271.744 3.010 20 0 CGADMM Cc1cc(CN(C)[C@@H](Cc2ccccc2)C(=O)[O-])c(C)o1 ZINC000902005232 621095659 /nfs/dbraw/zinc/09/56/59/621095659.db2.gz CPCUNYLDKNXHEY-INIZCTEOSA-N -1 1 287.359 3.024 20 0 CGADMM CSc1ccc(CN2CCCCC[C@@H]2C(=O)[O-])s1 ZINC000902039457 621111521 /nfs/dbraw/zinc/11/15/21/621111521.db2.gz UPASOTSSGFYAEC-LLVKDONJSA-N -1 1 285.434 3.299 20 0 CGADMM CCN(Cc1ccc(/C=C\C(=O)[O-])o1)Cc1cccs1 ZINC000902072798 621125477 /nfs/dbraw/zinc/12/54/77/621125477.db2.gz GXMMUYZXVZWUQW-FPLPWBNLSA-N -1 1 291.372 3.461 20 0 CGADMM O=C([O-])c1cccc(C[N@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000902509402 621349615 /nfs/dbraw/zinc/34/96/15/621349615.db2.gz DFSBEIUMAKKMGG-AWEZNQCLSA-N -1 1 288.372 3.178 20 0 CGADMM O=C([O-])c1cccc(CN2CCC[C@H]2c2ccsc2)n1 ZINC000902509402 621349621 /nfs/dbraw/zinc/34/96/21/621349621.db2.gz DFSBEIUMAKKMGG-AWEZNQCLSA-N -1 1 288.372 3.178 20 0 CGADMM CC(C)(/C=C/Cl)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000921510974 625523010 /nfs/dbraw/zinc/52/30/10/625523010.db2.gz YXZIXTIPFFRALE-AATRIKPKSA-N -1 1 299.726 3.027 20 0 CGADMM CC(C)=CCN[C@@H](C(=O)[O-])c1ccccc1Br ZINC000905400165 622066799 /nfs/dbraw/zinc/06/67/99/622066799.db2.gz IUFQSNJRCLQLLC-GFCCVEGCSA-N -1 1 298.180 3.131 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(C2CC2)CCC1 ZINC000906102683 622150250 /nfs/dbraw/zinc/15/02/50/622150250.db2.gz LSPDIMFEMCMWCQ-UHFFFAOYSA-N -1 1 297.358 3.301 20 0 CGADMM CC1(C)C[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908708790 622368862 /nfs/dbraw/zinc/36/88/62/622368862.db2.gz AUJBMOMUYQTULX-ZETCQYMHSA-N -1 1 284.153 3.139 20 0 CGADMM CCC/C(C)=C\C(=O)Nc1cc([O-])c(F)cc1F ZINC000909977100 622440405 /nfs/dbraw/zinc/44/04/05/622440405.db2.gz FESLBPGRAJQRAV-YVMONPNESA-N -1 1 255.264 3.355 20 0 CGADMM O=C(CC1CCSCC1)Nc1cc([O-])c(F)cc1F ZINC000909984256 622441295 /nfs/dbraw/zinc/44/12/95/622441295.db2.gz LCDRUAWCMXWBGD-UHFFFAOYSA-N -1 1 287.331 3.142 20 0 CGADMM C[C@@H]1CCCC[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988052 622444799 /nfs/dbraw/zinc/44/47/99/622444799.db2.gz SLWKTQWRXSRDEK-BDAKNGLRSA-N -1 1 269.291 3.435 20 0 CGADMM CCOCCC1(C(=O)Nc2cc(F)cc(F)c2[O-])CCC1 ZINC000910981546 622512626 /nfs/dbraw/zinc/51/26/26/622512626.db2.gz HUFJPVLTCBXKQM-UHFFFAOYSA-N -1 1 299.317 3.206 20 0 CGADMM O=C(CCCC1CC1)Nc1cc(F)cc(F)c1[O-] ZINC000910987305 622513545 /nfs/dbraw/zinc/51/35/45/622513545.db2.gz KLQAIDACWINBRA-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C1CCC=CCC1 ZINC000910989769 622514418 /nfs/dbraw/zinc/51/44/18/622514418.db2.gz DPEMOPZQOLVJIG-UHFFFAOYSA-N -1 1 267.275 3.355 20 0 CGADMM CC(C)Cc1cccc([C@@H](C)C(=O)[N-]OCC(F)F)c1 ZINC000803107658 622786734 /nfs/dbraw/zinc/78/67/34/622786734.db2.gz WUIZRSLURGZNDP-LLVKDONJSA-N -1 1 285.334 3.302 20 0 CGADMM Cc1oc(CN[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000232424422 623387664 /nfs/dbraw/zinc/38/76/64/623387664.db2.gz GPWHKWAHOOTPGX-SNVBAGLBSA-N -1 1 259.305 3.137 20 0 CGADMM Cc1sc(Cl)nc1C(=O)Nc1ccc(F)cc1[O-] ZINC000762898798 623852774 /nfs/dbraw/zinc/85/27/74/623852774.db2.gz ORHQTBSZIWFJCL-UHFFFAOYSA-N -1 1 286.715 3.202 20 0 CGADMM O=c1cc(C(F)F)nc(SCCCc2cccnc2)[n-]1 ZINC000917746805 624309343 /nfs/dbraw/zinc/30/93/43/624309343.db2.gz PDISVBKPDXNACJ-UHFFFAOYSA-N -1 1 297.330 3.240 20 0 CGADMM CC(C)(C)c1nc(CN2CCCC[C@H]2CCC(=O)[O-])co1 ZINC000923247192 626138964 /nfs/dbraw/zinc/13/89/64/626138964.db2.gz CRHIFPBROIKWBA-ZDUSSCGKSA-N -1 1 294.395 3.191 20 0 CGADMM Cc1cccc2c1CCN(C(=O)c1cc(F)ccc1[O-])C2 ZINC000751061527 626376099 /nfs/dbraw/zinc/37/60/99/626376099.db2.gz WHMXRZZEFWHXIH-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM O=C([O-])[C@H](NC/C=C\c1ccccc1)c1cccs1 ZINC000756336836 626693008 /nfs/dbraw/zinc/69/30/08/626693008.db2.gz APJSAFGOOVNSJH-SMGNDMQFSA-N -1 1 273.357 3.177 20 0 CGADMM O=C(NCC12CCC(CC1)C2)c1c([O-])cccc1Cl ZINC000757919099 626814313 /nfs/dbraw/zinc/81/43/13/626814313.db2.gz JFQWLVJSYTVXMS-UHFFFAOYSA-N -1 1 279.767 3.356 20 0 CGADMM CCC[C@H](C)c1noc(-c2cc(NC(C)=O)ccc2[O-])n1 ZINC000761841680 627065373 /nfs/dbraw/zinc/06/53/73/627065373.db2.gz GYXMEHDWQBNGCU-VIFPVBQESA-N -1 1 289.335 3.304 20 0 CGADMM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000768257684 627470618 /nfs/dbraw/zinc/47/06/18/627470618.db2.gz JCOSOQOJMJANEX-JTQLQIEISA-N -1 1 291.297 3.488 20 0 CGADMM CC[C@@H](C)[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000769733407 627575144 /nfs/dbraw/zinc/57/51/44/627575144.db2.gz YCSNSJFUIZMVBR-BDAKNGLRSA-N -1 1 255.745 3.210 20 0 CGADMM CC[C@H](C)[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000769733409 627574932 /nfs/dbraw/zinc/57/49/32/627574932.db2.gz YCSNSJFUIZMVBR-IUCAKERBSA-N -1 1 255.745 3.210 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H]1C1CCC1 ZINC000769758967 627576577 /nfs/dbraw/zinc/57/65/77/627576577.db2.gz DYRFMSMDLDOYPD-GFCCVEGCSA-N -1 1 279.767 3.450 20 0 CGADMM Cc1ccccc1OCCOC(=O)c1ccc([O-])cc1F ZINC000773570538 627897762 /nfs/dbraw/zinc/89/77/62/627897762.db2.gz QXJZPWLRGGNCTJ-UHFFFAOYSA-N -1 1 290.290 3.076 20 0 CGADMM CCn1ncc(NC(=O)c2ccc(C(C)C)cc2[O-])c1C ZINC000874816459 634626145 /nfs/dbraw/zinc/62/61/45/634626145.db2.gz FYGFQMHYWVHEPH-UHFFFAOYSA-N -1 1 287.363 3.293 20 0 CGADMM CC(C)(C)c1csc(NC([O-])=NO[C@H]2CCCCO2)n1 ZINC000775383738 628087995 /nfs/dbraw/zinc/08/79/95/628087995.db2.gz IDOFXUIAEOVYBG-JTQLQIEISA-N -1 1 299.396 3.020 20 0 CGADMM CC(C)(C)c1csc(NC(=O)[N-]O[C@H]2CCCCO2)n1 ZINC000775383738 628088001 /nfs/dbraw/zinc/08/80/01/628088001.db2.gz IDOFXUIAEOVYBG-JTQLQIEISA-N -1 1 299.396 3.020 20 0 CGADMM CC(C)(C)c1ccc(C=C2SC(=O)[N-]C2=O)s1 ZINC000874927880 634653006 /nfs/dbraw/zinc/65/30/06/634653006.db2.gz IDWRDKOZALSGKZ-VURMDHGXSA-N -1 1 267.375 3.370 20 0 CGADMM C/C(=C\C(C)(C)C)C(=O)Nc1cccc(F)c1[O-] ZINC000863010268 629460445 /nfs/dbraw/zinc/46/04/45/629460445.db2.gz QWOPTDVXDFJYNP-CMDGGOBGSA-N -1 1 251.301 3.462 20 0 CGADMM CSCCO[N-]C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC000794187958 629520239 /nfs/dbraw/zinc/52/02/39/629520239.db2.gz MDWIONZKJKIOBA-AWEZNQCLSA-N -1 1 281.421 3.227 20 0 CGADMM C[C@H](O)CCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000795497078 629683762 /nfs/dbraw/zinc/68/37/62/629683762.db2.gz ACYNZBBZOLWNJZ-ZETCQYMHSA-N -1 1 293.146 3.017 20 0 CGADMM O=C([N-]CCc1csc(C2CCCC2)n1)C(F)(F)F ZINC000864367375 629819556 /nfs/dbraw/zinc/81/95/56/629819556.db2.gz VNQPTOWQBAPRHZ-UHFFFAOYSA-N -1 1 292.326 3.022 20 0 CGADMM O=C(C[C@@H]1CCC(F)(F)C1)Nc1ccc(F)cc1[O-] ZINC000797958814 630008104 /nfs/dbraw/zinc/00/81/04/630008104.db2.gz SYYSGWREMFVCJL-QMMMGPOBSA-N -1 1 273.254 3.295 20 0 CGADMM O=C(C[C@H]1CCC(F)(F)C1)Nc1nc(Cl)ccc1[O-] ZINC000798000494 630013761 /nfs/dbraw/zinc/01/37/61/630013761.db2.gz WQNCNAXXFCZJFP-SSDOTTSWSA-N -1 1 290.697 3.205 20 0 CGADMM CCc1cc(=O)[n-]c(SCC2CC3(CCC3)C2)n1 ZINC000865363855 630075600 /nfs/dbraw/zinc/07/56/00/630075600.db2.gz VRNRZXACVQRAPB-UHFFFAOYSA-N -1 1 264.394 3.417 20 0 CGADMM CCc1nc(SC[C@H]2CCC(C)(C)CO2)[n-]c(=O)c1C ZINC000865370512 630080711 /nfs/dbraw/zinc/08/07/11/630080711.db2.gz MLQFVDUAGNGQJX-LLVKDONJSA-N -1 1 296.436 3.350 20 0 CGADMM COc1ccccc1CO[N-]C(=O)[C@@H](C)c1ccccc1 ZINC000799092295 630140921 /nfs/dbraw/zinc/14/09/21/630140921.db2.gz JPGXKCPRZBILPC-ZDUSSCGKSA-N -1 1 285.343 3.047 20 0 CGADMM O=C([N-][C@H]1CCCC1(F)F)C(F)(F)c1ccccc1F ZINC000807853434 630600982 /nfs/dbraw/zinc/60/09/82/630600982.db2.gz IEZXNLHVEGXMMH-JTQLQIEISA-N -1 1 293.235 3.222 20 0 CGADMM CC1(C)C[C@@]1(C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876399700 634825672 /nfs/dbraw/zinc/82/56/72/634825672.db2.gz STLKWUQGYCHYET-CQSZACIVSA-N -1 1 282.771 3.033 20 0 CGADMM CCCCN(CC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876392677 634826690 /nfs/dbraw/zinc/82/66/90/634826690.db2.gz BSHFJOAMWSWRJI-UHFFFAOYSA-N -1 1 284.787 3.377 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)NC1(C2CCC2)CC1 ZINC000876399047 634827633 /nfs/dbraw/zinc/82/76/33/634827633.db2.gz LZDKLJZRCJIBQW-UHFFFAOYSA-N -1 1 294.782 3.178 20 0 CGADMM CCc1ccc([C@H](C)C(=O)[N-]OC/C=C\Cl)cc1 ZINC000812401686 631245730 /nfs/dbraw/zinc/24/57/30/631245730.db2.gz NJUPBKFNQGIFQU-NJHLSQGMSA-N -1 1 267.756 3.153 20 0 CGADMM O=C(NOCCC1CC1)c1cc2ccccc2cc1[O-] ZINC000817425924 632151788 /nfs/dbraw/zinc/15/17/88/632151788.db2.gz PDGHGCLIBMOWEM-UHFFFAOYSA-N -1 1 271.316 3.007 20 0 CGADMM CCc1ccc([C@H](C)C(=O)[N-]OCCC2CC2)cc1 ZINC000817442202 632159106 /nfs/dbraw/zinc/15/91/06/632159106.db2.gz YACNRVNBURGVOW-LBPRGKRZSA-N -1 1 261.365 3.200 20 0 CGADMM CC=C(C=CC(=O)n1[n-]c(=O)c2ccc(OC)cc21)CC ZINC000819946638 632544262 /nfs/dbraw/zinc/54/42/62/632544262.db2.gz REIZMBBWGGMRNC-XJYLAGHESA-N -1 1 286.331 3.303 20 0 CGADMM CC(=CC(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1Cl ZINC000820403615 632619775 /nfs/dbraw/zinc/61/97/75/632619775.db2.gz WYAAPVHBXHLSFM-FPLPWBNLSA-N -1 1 291.738 3.119 20 0 CGADMM COC1(CCOC(=O)Cc2ccc([O-])c(Cl)c2)CCC1 ZINC000869734112 633502345 /nfs/dbraw/zinc/50/23/45/633502345.db2.gz CCDRGGOYHHRKIW-UHFFFAOYSA-N -1 1 298.766 3.091 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871520371 633787222 /nfs/dbraw/zinc/78/72/22/633787222.db2.gz FTIRMKCIJTVTRZ-PHIMTYICSA-N -1 1 277.751 3.084 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)NC1CCCCC1 ZINC000871626807 633806173 /nfs/dbraw/zinc/80/61/73/633806173.db2.gz VSHODWHNLSNDOP-UHFFFAOYSA-N -1 1 282.771 3.178 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)NCC1CCCC1 ZINC000871751041 633851306 /nfs/dbraw/zinc/85/13/06/633851306.db2.gz OEVWKJJSNOTHKW-UHFFFAOYSA-N -1 1 282.771 3.035 20 0 CGADMM CN(C)c1ccccc1Cn1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871947626 633923233 /nfs/dbraw/zinc/92/32/33/633923233.db2.gz GWIHLCAAHIUGPG-AWEZNQCLSA-N -1 1 299.418 3.277 20 0 CGADMM CCc1[n-]n([C@H](C)c2ccc(Cl)cc2)c(=O)c1F ZINC000871949694 633923777 /nfs/dbraw/zinc/92/37/77/633923777.db2.gz JRHHDIOVZPTQNS-PRHODGIISA-N -1 1 268.719 3.347 20 0 CGADMM CCc1[n-]n(-c2ccccc2OC(F)(F)F)c(=O)c1F ZINC000871959669 633928501 /nfs/dbraw/zinc/92/85/01/633928501.db2.gz OKEUGZUWCWZQCV-JTQLQIEISA-N -1 1 290.216 3.036 20 0 CGADMM O=C([O-])C[C@@H]1CCCCN1Cc1cc(C(F)(F)F)co1 ZINC000872159884 634070337 /nfs/dbraw/zinc/07/03/37/634070337.db2.gz RVZLFLIFCJFFNU-JTQLQIEISA-N -1 1 291.269 3.128 20 0 CGADMM O=C([O-])C[C@H]1CCCCN1Cc1cc(C(F)(F)F)co1 ZINC000872159885 634070925 /nfs/dbraw/zinc/07/09/25/634070925.db2.gz RVZLFLIFCJFFNU-SNVBAGLBSA-N -1 1 291.269 3.128 20 0 CGADMM CCC[C@H](C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872801866 634211091 /nfs/dbraw/zinc/21/10/91/634211091.db2.gz VGXOFWXEIPXWLJ-VIFPVBQESA-N -1 1 270.760 3.033 20 0 CGADMM CCC1(CNC(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000872921567 634222332 /nfs/dbraw/zinc/22/23/32/634222332.db2.gz OEHLZGCQJXVPDH-UHFFFAOYSA-N -1 1 282.771 3.035 20 0 CGADMM CC[C@@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000873069648 634240320 /nfs/dbraw/zinc/24/03/20/634240320.db2.gz NBBQWMNHMBVIND-GFCCVEGCSA-N -1 1 282.771 3.033 20 0 CGADMM CCC(CC)CC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834829224 634250831 /nfs/dbraw/zinc/25/08/31/634250831.db2.gz OZEFRQVKXVWFDU-UHFFFAOYSA-N -1 1 269.772 3.488 20 0 CGADMM Cc1cc(CN(CCc2ccccc2)CC(=O)[O-])cs1 ZINC000840994971 635099843 /nfs/dbraw/zinc/09/98/43/635099843.db2.gz GJZDJMWRZNWAHH-UHFFFAOYSA-N -1 1 289.400 3.186 20 0 CGADMM O=C(CC[C@H]1CCc2ccccc21)[N-]OCC(F)(F)F ZINC000879194176 635722642 /nfs/dbraw/zinc/72/26/42/635722642.db2.gz OHUZURGMHBTNAR-LLVKDONJSA-N -1 1 287.281 3.107 20 0 CGADMM Cc1nc(S[C@@H](C)c2ccc(F)nc2)[n-]c(=O)c1C ZINC000882152087 636270459 /nfs/dbraw/zinc/27/04/59/636270459.db2.gz JZOMNYLWRMPFHW-VIFPVBQESA-N -1 1 279.340 3.186 20 0 CGADMM CCC[C@@H](C)CC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000882575286 636359173 /nfs/dbraw/zinc/35/91/73/636359173.db2.gz CMVGBUJISUKITB-SECBINFHSA-N -1 1 295.351 3.322 20 0 CGADMM O=S(=O)([N-][C@H]1C=CCC1)c1cc(Cl)sc1Cl ZINC000849430189 636822476 /nfs/dbraw/zinc/82/24/76/636822476.db2.gz CCSGIQJHFVXNLM-LURJTMIESA-N -1 1 298.216 3.052 20 0 CGADMM CC[C@H](C)[C@H](C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266334 637472139 /nfs/dbraw/zinc/47/21/39/637472139.db2.gz HZRYTZAICKKUHM-UWVGGRQHSA-N -1 1 285.334 3.011 20 0 CGADMM CCCC(C)(C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886270005 637474949 /nfs/dbraw/zinc/47/49/49/637474949.db2.gz OFVHJBNNQQVJGO-UHFFFAOYSA-N -1 1 285.334 3.155 20 0 CGADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)[N-]Oc1ccccc1 ZINC000854535522 638067839 /nfs/dbraw/zinc/06/78/39/638067839.db2.gz ALYWSMWFURICSN-JSGCOSHPSA-N -1 1 281.302 3.312 20 0 CGADMM CC(C)(C)[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000112826148 638126614 /nfs/dbraw/zinc/12/66/14/638126614.db2.gz UXSPAZNGBSXXNG-JTQLQIEISA-N -1 1 259.271 3.452 20 0 CGADMM CC1(C)[C@H](CNC(=O)c2c([O-])cccc2Cl)C1(F)F ZINC000856068515 638293062 /nfs/dbraw/zinc/29/30/62/638293062.db2.gz QCGLPUCJYMDAPH-VIFPVBQESA-N -1 1 289.709 3.067 20 0 CGADMM CC(C)Cc1cccc([C@H](C)C(=O)[N-]OC(C)C)c1 ZINC000857523178 638513339 /nfs/dbraw/zinc/51/33/39/638513339.db2.gz ZZHNDOYSCIQUGV-ZDUSSCGKSA-N -1 1 263.381 3.445 20 0 CGADMM CCS[C@@H]1CCCC[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858437857 638718434 /nfs/dbraw/zinc/71/84/34/638718434.db2.gz OCTZEEQCPZCNRX-DTWKUNHWSA-N -1 1 287.816 3.312 20 0 CGADMM CCO[C@H]1C[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C1(CC)CC ZINC000858437584 638718597 /nfs/dbraw/zinc/71/85/97/638718597.db2.gz GCROVMTXKWDRNB-ZJUUUORDSA-N -1 1 299.802 3.231 20 0 CGADMM CC(C)CC1(CNc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858443341 638720770 /nfs/dbraw/zinc/72/07/70/638720770.db2.gz ROXJIEGEJLLTJR-UHFFFAOYSA-N -1 1 255.749 3.074 20 0 CGADMM O=c1nc(NCC2CCC(F)(F)CC2)cc(Cl)[n-]1 ZINC000858531003 638756884 /nfs/dbraw/zinc/75/68/84/638756884.db2.gz VVMZYKSTHSKYPU-UHFFFAOYSA-N -1 1 277.702 3.073 20 0 CGADMM CC[C@H]1CCC[C@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858558379 638761809 /nfs/dbraw/zinc/76/18/09/638761809.db2.gz PKFNPMJHJQERLU-IUCAKERBSA-N -1 1 255.749 3.074 20 0 CGADMM C[C@]1(CCNc2cc(Cl)[n-]c(=O)n2)CC1(Cl)Cl ZINC000858563008 638762623 /nfs/dbraw/zinc/76/26/23/638762623.db2.gz OUZWIUIJYBQBMJ-VIFPVBQESA-N -1 1 296.585 3.222 20 0 CGADMM O=c1nc(NC[C@@H]2CC3CCC2CC3)cc(Cl)[n-]1 ZINC000858596877 639000012 /nfs/dbraw/zinc/00/00/12/639000012.db2.gz PUPQMFZLRBKYLW-RTBKNWGFSA-N -1 1 267.760 3.074 20 0 CGADMM C[C@H]1C[C@H](CNc2cc(Cl)[n-]c(=O)n2)C[C@@H](C)C1 ZINC000858622895 639003980 /nfs/dbraw/zinc/00/39/80/639003980.db2.gz BYEGACZHTGYHOU-MYJAWHEDSA-N -1 1 269.776 3.320 20 0 CGADMM CC(C)(C)CC(C)(C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000931316884 639134599 /nfs/dbraw/zinc/13/45/99/639134599.db2.gz HAQSRFNBLCRUFF-LLVKDONJSA-N -1 1 257.374 3.023 20 0 CGADMM CCc1cc(C)c(C(=O)Nc2nc(Cl)ccc2[O-])o1 ZINC000188371049 640133471 /nfs/dbraw/zinc/13/34/71/640133471.db2.gz CDHXVTOTYDWYGI-UHFFFAOYSA-N -1 1 280.711 3.157 20 0 CGADMM C=CCC(CC=C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000189852140 640210084 /nfs/dbraw/zinc/21/00/84/640210084.db2.gz GRIPNCMAMBULCT-UHFFFAOYSA-N -1 1 266.728 3.148 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(Cl)nc2C)c([O-])c1 ZINC000192466875 640372403 /nfs/dbraw/zinc/37/24/03/640372403.db2.gz QZVBIGHKQNJZEC-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM COc1ccc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001250531869 805681065 /nfs/dbraw/zinc/68/10/65/805681065.db2.gz MJBFWJCLXHNHND-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM COc1cccc2c1nc(-c1c([O-])cccc1F)n2C ZINC001250673961 805752883 /nfs/dbraw/zinc/75/28/83/805752883.db2.gz HPEJKDJMQHCJFC-UHFFFAOYSA-N -1 1 272.279 3.094 20 0 CGADMM COCCn1c2ccccc2nc1-c1cccc(F)c1[O-] ZINC001250683800 805754790 /nfs/dbraw/zinc/75/47/90/805754790.db2.gz QRPXMXXTRWQMBS-UHFFFAOYSA-N -1 1 286.306 3.194 20 0 CGADMM [O-]c1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC001250871545 805791723 /nfs/dbraw/zinc/79/17/23/805791723.db2.gz CFSWHXSWCRAHQP-UHFFFAOYSA-N -1 1 288.690 3.318 20 0 CGADMM [O-]c1ccc(Cl)c(NC[C@@H](O)C(F)(F)F)c1Cl ZINC001250980722 805815502 /nfs/dbraw/zinc/81/55/02/805815502.db2.gz DMLCTIALTWXHCF-ZCFIWIBFSA-N -1 1 290.068 3.034 20 0 CGADMM Cn1c(-c2c(F)ccc([O-])c2F)nc2cccc(F)c21 ZINC001251335605 805885120 /nfs/dbraw/zinc/88/51/20/805885120.db2.gz LQIMNVHIPUVJOL-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM [O-]c1ccc(F)c(-c2nc3cc(F)ccc3[nH]2)c1F ZINC001251335874 805885565 /nfs/dbraw/zinc/88/55/65/805885565.db2.gz TWIIMPMSBXHLGK-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM CCOc1ccc2[nH]c(-c3ccc(F)c([O-])c3)nc2c1 ZINC001251477158 805900305 /nfs/dbraw/zinc/90/03/05/805900305.db2.gz HXDOUOAXVKIRHL-UHFFFAOYSA-N -1 1 272.279 3.473 20 0 CGADMM CC(C)n1nccc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001157899380 805900928 /nfs/dbraw/zinc/90/09/28/805900928.db2.gz FUINVTWQPSLNJR-UHFFFAOYSA-N -1 1 297.717 3.214 20 0 CGADMM COc1ccc2nc(-c3ccc(F)cc3C(=O)[O-])[nH]c2c1 ZINC001251724850 805924658 /nfs/dbraw/zinc/92/46/58/805924658.db2.gz PQUMSOZGEBHKAN-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM O=C([O-])c1ccccc1Nc1cccc2[nH]ncc21 ZINC001159574356 806124025 /nfs/dbraw/zinc/12/40/25/806124025.db2.gz DETQADKYBLFJTF-UHFFFAOYSA-N -1 1 253.261 3.005 20 0 CGADMM CCCS(=O)(=O)[N-]c1cc(-c2cccc(F)c2)ccn1 ZINC001253608472 806272319 /nfs/dbraw/zinc/27/23/19/806272319.db2.gz HDOSTCJEXASTOC-UHFFFAOYSA-N -1 1 294.351 3.039 20 0 CGADMM CCCCS(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC001253782914 806309797 /nfs/dbraw/zinc/30/97/97/806309797.db2.gz YAVNPFPLNHTCJC-UHFFFAOYSA-N -1 1 290.388 3.290 20 0 CGADMM CCCCS(=O)(=O)[N-]c1cc(F)ccc1C(F)(F)F ZINC001253854986 806315666 /nfs/dbraw/zinc/31/56/66/806315666.db2.gz IMJLRWOYCOOKHC-UHFFFAOYSA-N -1 1 299.289 3.386 20 0 CGADMM [O-]c1ccc(OC(F)(F)F)cc1-c1nnc(C2CC2)o1 ZINC001254120085 806345598 /nfs/dbraw/zinc/34/55/98/806345598.db2.gz INYIGGHNBZKJEO-UHFFFAOYSA-N -1 1 286.209 3.218 20 0 CGADMM CCON(Cc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC001161094193 806347103 /nfs/dbraw/zinc/34/71/03/806347103.db2.gz MTGSJSRIBOFYIE-UHFFFAOYSA-N -1 1 289.306 3.125 20 0 CGADMM [O-]c1cc(-c2nnc(-c3cccc(F)c3)o2)ccc1F ZINC001254205374 806363325 /nfs/dbraw/zinc/36/33/25/806363325.db2.gz AZWPOUDUXOPTNG-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CC(C)CNc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC001161653008 806412632 /nfs/dbraw/zinc/41/26/32/806412632.db2.gz NUJNTMDPFKZLGT-JTQLQIEISA-N -1 1 288.313 3.494 20 0 CGADMM [O-]c1cnccc1-c1nnc([C@@H]2C[C@H]2c2ccccc2)o1 ZINC001254629962 806464768 /nfs/dbraw/zinc/46/47/68/806464768.db2.gz PBUYGZCDOKJZIO-QWHCGFSZSA-N -1 1 279.299 3.108 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(O)c2C)cc1 ZINC001255081306 806537239 /nfs/dbraw/zinc/53/72/39/806537239.db2.gz UILHKXKXVRSTII-UHFFFAOYSA-N -1 1 291.372 3.064 20 0 CGADMM O=C(/C=C\c1ccccc1F)Nc1cc(F)cc(F)c1[O-] ZINC001162295202 806550823 /nfs/dbraw/zinc/55/08/23/806550823.db2.gz CSCCRAIUZMJMGP-WAYWQWQTSA-N -1 1 293.244 3.461 20 0 CGADMM CCc1cc(NC(=O)c2ccc3ccccc3c2[O-])nn1C ZINC001162458092 806588725 /nfs/dbraw/zinc/58/87/25/806588725.db2.gz OJJOBAQSZHUKCW-UHFFFAOYSA-N -1 1 295.342 3.094 20 0 CGADMM CC[C@H]1CCCC[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000128628184 799020139 /nfs/dbraw/zinc/02/01/39/799020139.db2.gz GSACRBWLCHRCRY-GXFFZTMASA-N -1 1 265.328 3.230 20 0 CGADMM Cc1ccoc1CN[C@H](CCCc1ccccc1)C(=O)[O-] ZINC001255792833 806754333 /nfs/dbraw/zinc/75/43/33/806754333.db2.gz FCAYBQLZRJKRAY-OAHLLOKOSA-N -1 1 287.359 3.154 20 0 CGADMM Cc1ccoc1CN[C@@H](CCCc1ccccc1)C(=O)[O-] ZINC001255792832 806753588 /nfs/dbraw/zinc/75/35/88/806753588.db2.gz FCAYBQLZRJKRAY-HNNXBMFYSA-N -1 1 287.359 3.154 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1C2CCCC1CCC2 ZINC000707238391 799975325 /nfs/dbraw/zinc/97/53/25/799975325.db2.gz YONPJAPLRQRILI-UHFFFAOYSA-N -1 1 263.312 3.079 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000822413200 800461737 /nfs/dbraw/zinc/46/17/37/800461737.db2.gz VDMRXOACKMSYDF-LLVKDONJSA-N -1 1 285.343 3.123 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1cc(Br)co1 ZINC001120772400 802775729 /nfs/dbraw/zinc/77/57/29/802775729.db2.gz KOQISFQGWCKCAF-UHFFFAOYSA-N -1 1 299.124 3.406 20 0 CGADMM COC(=O)c1cc(-c2c([O-])cccc2Cl)ncc1C ZINC001244030954 803151060 /nfs/dbraw/zinc/15/10/60/803151060.db2.gz LIAKNHHEJGUWEZ-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CSc1ccc(-c2cc(F)c([O-])c(F)c2)cn1 ZINC001244095035 803182570 /nfs/dbraw/zinc/18/25/70/803182570.db2.gz ZNEGSILZNFBNEY-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM [O-]c1c(F)cc(-c2cccc(-c3nc[nH]n3)c2)cc1F ZINC001244095572 803184425 /nfs/dbraw/zinc/18/44/25/803184425.db2.gz AQGSRLYWGSOYEK-UHFFFAOYSA-N -1 1 273.242 3.123 20 0 CGADMM CC(=O)Nc1ccc(-c2cc(F)c([O-])c(F)c2)cc1F ZINC001244097730 803185134 /nfs/dbraw/zinc/18/51/34/803185134.db2.gz YZCXIKOAOVWRAP-UHFFFAOYSA-N -1 1 281.233 3.435 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3ccnnc3c2)cc1F ZINC001244097893 803185155 /nfs/dbraw/zinc/18/51/55/803185155.db2.gz TWCXHRRSIAPESN-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM O=C1CCc2cc(-c3cc(F)c([O-])c(F)c3)ccc2N1 ZINC001244097334 803185473 /nfs/dbraw/zinc/18/54/73/803185473.db2.gz UMEQJAYSROTEPR-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM CCOC(=O)Cc1cccc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244097727 803185506 /nfs/dbraw/zinc/18/55/06/803185506.db2.gz YYIZJOFBLZHPNC-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cnc(C)cc3C)ccc2[n-]1 ZINC001244147143 803208952 /nfs/dbraw/zinc/20/89/52/803208952.db2.gz PGBRIBVMXPNALW-UHFFFAOYSA-N -1 1 295.342 3.418 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cnc(C)cc3C)cc2[n-]1 ZINC001244147143 803208957 /nfs/dbraw/zinc/20/89/57/803208957.db2.gz PGBRIBVMXPNALW-UHFFFAOYSA-N -1 1 295.342 3.418 20 0 CGADMM COc1cc(C(=O)[O-])cc(-c2cc3nc[nH]c3cc2F)c1 ZINC001244175330 803225994 /nfs/dbraw/zinc/22/59/94/803225994.db2.gz KNLQHEYWFFVEBY-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM c1cc2cc(-c3ccc(-c4nnn[n-]4)nc3)ccc2s1 ZINC001244299010 803284332 /nfs/dbraw/zinc/28/43/32/803284332.db2.gz LOOGAEDMWDWCHV-UHFFFAOYSA-N -1 1 279.328 3.143 20 0 CGADMM c1cc2cc(-c3ccc(-c4nn[n-]n4)nc3)ccc2s1 ZINC001244299010 803284336 /nfs/dbraw/zinc/28/43/36/803284336.db2.gz LOOGAEDMWDWCHV-UHFFFAOYSA-N -1 1 279.328 3.143 20 0 CGADMM COc1cccnc1-c1ccc(OC(F)(F)F)cc1[O-] ZINC001244463073 803381670 /nfs/dbraw/zinc/38/16/70/803381670.db2.gz FIUKUZDYTQWGPO-UHFFFAOYSA-N -1 1 285.221 3.361 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1ncnc2[nH]ccc21 ZINC001244464523 803381798 /nfs/dbraw/zinc/38/17/98/803381798.db2.gz QUKZLVYZGDUROL-UHFFFAOYSA-N -1 1 295.220 3.181 20 0 CGADMM COc1ccnc(F)c1-c1ccc(Cl)cc1[O-] ZINC001244475402 803390501 /nfs/dbraw/zinc/39/05/01/803390501.db2.gz GXFAGSBMTDXHGX-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM [O-]c1c(F)cc(-c2cc3[nH]cnc3cn2)cc1Cl ZINC001244500641 803406553 /nfs/dbraw/zinc/40/65/53/803406553.db2.gz OTKKADDHMVJRHT-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM CCNC(=O)c1ccc(-c2cc(C)c([O-])c(Cl)c2)nc1 ZINC001244536012 803424475 /nfs/dbraw/zinc/42/44/75/803424475.db2.gz GGKBYZYYTHLVPI-UHFFFAOYSA-N -1 1 290.750 3.166 20 0 CGADMM CSc1ccnc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244537895 803424831 /nfs/dbraw/zinc/42/48/31/803424831.db2.gz HCWPDRMPMOSZQR-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM CCc1ccnc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244537567 803424928 /nfs/dbraw/zinc/42/49/28/803424928.db2.gz ATSYVFGNSPUXDG-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM CCOc1nc(-c2c(Cl)ccc([O-])c2F)ncc1OC ZINC001244537609 803425749 /nfs/dbraw/zinc/42/57/49/803425749.db2.gz CAFALVKQWYWUHS-UHFFFAOYSA-N -1 1 298.701 3.049 20 0 CGADMM CCOc1ccc(-c2c(Cl)ccc([O-])c2F)nn1 ZINC001244539206 803426774 /nfs/dbraw/zinc/42/67/74/803426774.db2.gz YYXLLCXJSSWYSK-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM Cc1cc(-c2ccc(OC(F)F)nn2)cc(Cl)c1[O-] ZINC001244539592 803427142 /nfs/dbraw/zinc/42/71/42/803427142.db2.gz YGCMOELEDCWITA-UHFFFAOYSA-N -1 1 286.665 3.412 20 0 CGADMM O=C1CCc2cc(-c3c(Cl)ccc([O-])c3F)cnc2N1 ZINC001244541676 803429534 /nfs/dbraw/zinc/42/95/34/803429534.db2.gz PXWSZIRGGRHMKX-UHFFFAOYSA-N -1 1 292.697 3.131 20 0 CGADMM Cc1cc(C(N)=O)ccc1-c1c(Cl)ccc([O-])c1F ZINC001244541965 803429861 /nfs/dbraw/zinc/42/98/61/803429861.db2.gz KHDZLCYOBNRTDN-UHFFFAOYSA-N -1 1 279.698 3.259 20 0 CGADMM Cc1cc(-c2cn(C(C)C)c(=O)cn2)cc(Cl)c1[O-] ZINC001244553120 803434771 /nfs/dbraw/zinc/43/47/71/803434771.db2.gz DDOXONZFDVCTIH-UHFFFAOYSA-N -1 1 278.739 3.159 20 0 CGADMM Cc1c(N)ccnc1-c1ccc(Cl)c([O-])c1F ZINC001244631412 803473916 /nfs/dbraw/zinc/47/39/16/803473916.db2.gz XZHFXAZKPKKEGN-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM Nc1ccc(F)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001211835000 814946768 /nfs/dbraw/zinc/94/67/68/814946768.db2.gz OCGVFKHGZVLHCP-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM CC(C)(F)c1cc([N-]C(=O)c2csc(Cl)n2)no1 ZINC001135372744 803590527 /nfs/dbraw/zinc/59/05/27/803590527.db2.gz CTJVDMNMGVWLJK-UHFFFAOYSA-N -1 1 289.719 3.241 20 0 CGADMM O=C1Cc2cc(-c3cccc(C4CCC4)c3)ccc2C(=O)[N-]1 ZINC001244981682 803603180 /nfs/dbraw/zinc/60/31/80/803603180.db2.gz UFLMEQNYJWZZPW-UHFFFAOYSA-N -1 1 291.350 3.434 20 0 CGADMM O=C(N[C@H](c1cccs1)C1CC1)c1ccc(F)c([O-])c1 ZINC001136054956 803627021 /nfs/dbraw/zinc/62/70/21/803627021.db2.gz LYRUDTRPWKXHCX-AWEZNQCLSA-N -1 1 291.347 3.474 20 0 CGADMM CCN(C(=O)c1cccc([O-])c1F)c1ccccc1OC ZINC001136433502 803643158 /nfs/dbraw/zinc/64/31/58/803643158.db2.gz NPIKIPNYIPJZIE-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM Fc1cc([S-])ccc1C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245425462 803733538 /nfs/dbraw/zinc/73/35/38/803733538.db2.gz KQUNCEKTGADEJY-CYBMUJFWSA-N -1 1 293.407 3.383 20 0 CGADMM O=c1c(-c2c([O-])cccc2F)cccn1Cc1ccccc1 ZINC001245653843 803884624 /nfs/dbraw/zinc/88/46/24/803884624.db2.gz GBOBPNRMEZTNFY-UHFFFAOYSA-N -1 1 295.313 3.408 20 0 CGADMM COC(=O)c1cccc(F)c1-c1c([O-])cccc1F ZINC001245654708 803886870 /nfs/dbraw/zinc/88/68/70/803886870.db2.gz HAPYUKOORHJAAK-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM Oc1cccnc1C[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001138396034 803913253 /nfs/dbraw/zinc/91/32/53/803913253.db2.gz GMSNCZNFPCFOCO-OAHLLOKOSA-N -1 1 290.313 3.403 20 0 CGADMM [O-]c1ccc(F)c(-c2cc3nccnc3cn2)c1Cl ZINC001245828334 803982285 /nfs/dbraw/zinc/98/22/85/803982285.db2.gz SQHXQSBBISKVBH-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3[nH]cc(F)c32)c1Cl ZINC001245828248 803983386 /nfs/dbraw/zinc/98/33/86/803983386.db2.gz RHJSCTIEHQPQFH-UHFFFAOYSA-N -1 1 281.649 3.214 20 0 CGADMM COc1ccc(-c2c(F)ccc([O-])c2Cl)nc1OC ZINC001245830025 803983975 /nfs/dbraw/zinc/98/39/75/803983975.db2.gz GDJZPDCTNHADHZ-UHFFFAOYSA-N -1 1 283.686 3.264 20 0 CGADMM [O-]c1ccc(F)c(-c2cc(-c3nnco3)ccn2)c1Cl ZINC001245830168 803984062 /nfs/dbraw/zinc/98/40/62/803984062.db2.gz JWGOSFHVFVUSPP-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM [O-]c1ccc(F)c(-c2nncc3cnccc32)c1Cl ZINC001245830781 803984774 /nfs/dbraw/zinc/98/47/74/803984774.db2.gz YPSHSJVMSZOWDJ-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM C[C@@H](c1cccc(O)c1)n1[n-]c(-c2ccc(N)cc2)cc1=O ZINC001245935522 804065364 /nfs/dbraw/zinc/06/53/64/804065364.db2.gz CCZYIXIIHOLGBX-NSHDSACASA-N -1 1 295.342 3.153 20 0 CGADMM Cc1cc(Cl)ccc1-n1[n-]c(CC2CC2)cc1=O ZINC001245953523 804087566 /nfs/dbraw/zinc/08/75/66/804087566.db2.gz PJNXREQTCPVAQM-UHFFFAOYSA-N -1 1 262.740 3.492 20 0 CGADMM O=C([O-])c1ccccc1CN1CCc2ccc(F)cc2C1 ZINC001140503996 804449029 /nfs/dbraw/zinc/44/90/29/804449029.db2.gz RZHPZALKWKXOPD-UHFFFAOYSA-N -1 1 285.318 3.082 20 0 CGADMM O=C(/C=C/c1ccsc1)Nc1ccc([O-])c(F)c1F ZINC001140657884 804486144 /nfs/dbraw/zinc/48/61/44/804486144.db2.gz ZWQOCIUQSVNEDO-DAFODLJHSA-N -1 1 281.283 3.384 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N=NC3)c1 ZINC001256959002 807015869 /nfs/dbraw/zinc/01/58/69/807015869.db2.gz VUALGYGJAFLUSO-UHFFFAOYSA-N -1 1 287.344 3.393 20 0 CGADMM CC(C)OC1CCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001140893976 804544967 /nfs/dbraw/zinc/54/49/67/804544967.db2.gz MGWKTXMQDHMDRQ-UHFFFAOYSA-N -1 1 285.334 3.060 20 0 CGADMM [O-]c1c(F)cc(CN2CC(c3ccccc3)C2)cc1F ZINC001140991108 804564249 /nfs/dbraw/zinc/56/42/49/804564249.db2.gz XRXVWIWMOTYYIB-UHFFFAOYSA-N -1 1 275.298 3.270 20 0 CGADMM CCc1cccc(N(C)C(=O)c2ccc(OC)cc2[O-])c1 ZINC001141893956 804678109 /nfs/dbraw/zinc/67/81/09/804678109.db2.gz SJIKVDNIIPKHBB-UHFFFAOYSA-N -1 1 285.343 3.240 20 0 CGADMM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001142065693 804692912 /nfs/dbraw/zinc/69/29/12/804692912.db2.gz LNPTZTVVGSFKIQ-DGCLKSJQSA-N -1 1 279.355 3.476 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001142545393 804736481 /nfs/dbraw/zinc/73/64/81/804736481.db2.gz AUDAHIPYMJXSEE-OWUUHHOZSA-N -1 1 281.302 3.435 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2cccc3c2CCCC3)no1 ZINC001212481039 815036463 /nfs/dbraw/zinc/03/64/63/815036463.db2.gz WZZGBRPUQAFRPU-UHFFFAOYSA-N -1 1 293.326 3.383 20 0 CGADMM CSCCC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001144054187 804930625 /nfs/dbraw/zinc/93/06/25/804930625.db2.gz BLYDZEDOGDHGLF-UHFFFAOYSA-N -1 1 279.283 3.103 20 0 CGADMM CN(Cc1ccc(F)cc1)Cc1c(F)cc([O-])cc1F ZINC001144541425 805000304 /nfs/dbraw/zinc/00/03/04/805000304.db2.gz FOUOMTQSRBGEFQ-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM Cc1ncccc1CN(C)Cc1c(F)cc([O-])cc1F ZINC001144562114 805006650 /nfs/dbraw/zinc/00/66/50/805006650.db2.gz ZBCNCSLXPFCWDV-UHFFFAOYSA-N -1 1 278.302 3.006 20 0 CGADMM Cc1ccc(C[C@@H](C)NC(=O)c2ncc(C)cc2[O-])c(C)c1 ZINC001146458228 805067985 /nfs/dbraw/zinc/06/79/85/805067985.db2.gz FKEBLEJEBMGNMP-CQSZACIVSA-N -1 1 298.386 3.073 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1c[nH]c2cc(=O)ccc-2c1 ZINC001146493140 805069161 /nfs/dbraw/zinc/06/91/61/805069161.db2.gz ZPKRBWZJUDSXPB-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001146550973 805074097 /nfs/dbraw/zinc/07/40/97/805074097.db2.gz MYNLVQZISGWKKG-HUUCEWRRSA-N -1 1 277.339 3.452 20 0 CGADMM O=C(NCCCCCCc1ccccc1)c1ncccc1[O-] ZINC001147560304 805138829 /nfs/dbraw/zinc/13/88/29/805138829.db2.gz ZABKRFRSZLSZII-UHFFFAOYSA-N -1 1 298.386 3.320 20 0 CGADMM CC(C)OCCNC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148861474 805213107 /nfs/dbraw/zinc/21/31/07/805213107.db2.gz RFNRPVRZAFDWGY-UHFFFAOYSA-N -1 1 299.370 3.214 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249759892 805235772 /nfs/dbraw/zinc/23/57/72/805235772.db2.gz MKKLJWSTFCURES-AOOOYVTPSA-N -1 1 283.318 3.426 20 0 CGADMM COc1nccc(C)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249959586 805327670 /nfs/dbraw/zinc/32/76/70/805327670.db2.gz YIOGDZBVGQNDCF-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM Nc1cccc2c1CCCN2c1cc([O-])c(F)c(F)c1F ZINC001249965888 805333273 /nfs/dbraw/zinc/33/32/73/805333273.db2.gz QNYZWUXWJPSBJT-UHFFFAOYSA-N -1 1 294.276 3.476 20 0 CGADMM Cc1cccc(C)c1NC(=O)Cc1cc(F)cc(F)c1[O-] ZINC001250008288 805363486 /nfs/dbraw/zinc/36/34/86/805363486.db2.gz XMCYITGTMQPQFJ-UHFFFAOYSA-N -1 1 291.297 3.468 20 0 CGADMM [O-]c1cc(F)c(Nc2cc(F)ccn2)cc1Cl ZINC001250020968 805372435 /nfs/dbraw/zinc/37/24/35/805372435.db2.gz VIQWMKHXQKXPPR-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM [O-]c1cc(F)c(Nc2ccccc2CO)cc1Cl ZINC001250022548 805373345 /nfs/dbraw/zinc/37/33/45/805373345.db2.gz MGYPFJXVMCSOFK-UHFFFAOYSA-N -1 1 267.687 3.421 20 0 CGADMM Cc1c2cc(N)ccc2nn1-c1cc(Cl)c([O-])cc1F ZINC001250023964 805374449 /nfs/dbraw/zinc/37/44/49/805374449.db2.gz KLMSLGCBEPUWQI-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC12CCC(CC1)C2 ZINC001153096670 805382948 /nfs/dbraw/zinc/38/29/48/805382948.db2.gz QFSOSFADECXPMA-UHFFFAOYSA-N -1 1 293.794 3.285 20 0 CGADMM CC(C)(C)n1cc(Nc2cc3ccc([O-])cc3oc2=O)cn1 ZINC001212569542 815072099 /nfs/dbraw/zinc/07/20/99/815072099.db2.gz JKWGAKBFUDCOTR-UHFFFAOYSA-N -1 1 299.330 3.194 20 0 CGADMM Cc1cnc(C)c(NC(=O)c2c([O-])ccc3ccccc32)n1 ZINC001153498326 805400229 /nfs/dbraw/zinc/40/02/29/805400229.db2.gz PTISMAVOMAHWGG-UHFFFAOYSA-N -1 1 293.326 3.205 20 0 CGADMM O=C(c1c([O-])ccc2ccccc21)N1CCc2[nH]ccc2C1 ZINC001153506047 805400319 /nfs/dbraw/zinc/40/03/19/805400319.db2.gz QVJDSTFMQUZVPB-UHFFFAOYSA-N -1 1 292.338 3.072 20 0 CGADMM Cc1nc2cccc(C(=O)Nc3ccccc3[S-])c2[nH]1 ZINC001153608014 805405618 /nfs/dbraw/zinc/40/56/18/805405618.db2.gz FGZPKWIPUKQFDJ-UHFFFAOYSA-N -1 1 283.356 3.412 20 0 CGADMM Cn1ncc2cc(Nc3c(F)ccc([O-])c3Cl)cnc21 ZINC001250228981 805504713 /nfs/dbraw/zinc/50/47/13/805504713.db2.gz RDVOREZHTQCEKS-UHFFFAOYSA-N -1 1 292.701 3.210 20 0 CGADMM O=C(Cc1c(F)cc([O-])cc1F)c1cccc(F)c1 ZINC001250235680 805510736 /nfs/dbraw/zinc/51/07/36/805510736.db2.gz XRSASJZTVSFODC-UHFFFAOYSA-N -1 1 266.218 3.235 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2C[C@H]2CC(C)(C)C)c1 ZINC001165397037 807001499 /nfs/dbraw/zinc/00/14/99/807001499.db2.gz MIDNYKRMIQFSIJ-SMDDNHRTSA-N -1 1 289.375 3.068 20 0 CGADMM COC(=O)c1cc([N-]c2nnc(-c3ccco3)o2)ccc1C ZINC001212623461 815087348 /nfs/dbraw/zinc/08/73/48/815087348.db2.gz JADRAQYKOIOZAQ-UHFFFAOYSA-N -1 1 299.286 3.168 20 0 CGADMM O=C(c1ccc(O)cc1[O-])N(c1ccccc1)C1CCC1 ZINC001168808826 807519576 /nfs/dbraw/zinc/51/95/76/807519576.db2.gz OBKSORGNXLREJG-UHFFFAOYSA-N -1 1 283.327 3.297 20 0 CGADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC001259516391 807679928 /nfs/dbraw/zinc/67/99/28/807679928.db2.gz OVIUXYITMDITMY-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Cc1csc([N-]S(=O)(=O)CC2CCCCC2)c1 ZINC001259614153 807682192 /nfs/dbraw/zinc/68/21/92/807682192.db2.gz QLBYKTSZBGURIS-UHFFFAOYSA-N -1 1 273.423 3.379 20 0 CGADMM Cc1ccc(F)c(S(=O)(=O)Nc2ccccc2[S-])c1 ZINC001259637249 807683057 /nfs/dbraw/zinc/68/30/57/807683057.db2.gz NBVRATGSDVNUAV-UHFFFAOYSA-N -1 1 297.376 3.224 20 0 CGADMM Cc1csc([N-]S(=O)(=O)Cc2cccc(C)c2)c1 ZINC001259743213 807684886 /nfs/dbraw/zinc/68/48/86/807684886.db2.gz BAHKSPFMWWNPGT-UHFFFAOYSA-N -1 1 281.402 3.307 20 0 CGADMM CCC/C=C/C(=O)Nc1ccc(Br)c([O-])c1 ZINC001261732528 807779585 /nfs/dbraw/zinc/77/95/85/807779585.db2.gz WJXYLHMPYHQQPY-SNAWJCMRSA-N -1 1 284.153 3.450 20 0 CGADMM CCC[C@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC001262646459 807885509 /nfs/dbraw/zinc/88/55/09/807885509.db2.gz CLTUSJGGZOSZOL-ZDUSSCGKSA-N -1 1 284.359 3.345 20 0 CGADMM CCC[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001262646759 807885934 /nfs/dbraw/zinc/88/59/34/807885934.db2.gz LIKHRQRLUZYAPB-GFCCVEGCSA-N -1 1 281.783 3.379 20 0 CGADMM CCCc1nnc([N-]C(=O)c2nc(C3CC3)cs2)s1 ZINC001263711020 807995256 /nfs/dbraw/zinc/99/52/56/807995256.db2.gz OQPPUDJYOFMYCK-UHFFFAOYSA-N -1 1 294.405 3.077 20 0 CGADMM Cc1ccc2sc(NC(=O)c3cncc([O-])c3)nc2c1C ZINC001171550937 808092604 /nfs/dbraw/zinc/09/26/04/808092604.db2.gz GTJXKKYISCUIPC-UHFFFAOYSA-N -1 1 299.355 3.266 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCOc2ccccc21 ZINC001171632974 808109369 /nfs/dbraw/zinc/10/93/69/808109369.db2.gz ZHQHZOZSLGZFKL-LLVKDONJSA-N -1 1 287.290 3.036 20 0 CGADMM [O-]c1cc(Nc2ccc(CCO)cc2)c(F)cc1Cl ZINC001212929823 815187136 /nfs/dbraw/zinc/18/71/36/815187136.db2.gz PHBWPAZTJSLWRW-UHFFFAOYSA-N -1 1 281.714 3.463 20 0 CGADMM [O-]c1cc(Nc2cccc3[nH]cnc32)cc(F)c1F ZINC001213032743 815207333 /nfs/dbraw/zinc/20/73/33/815207333.db2.gz WAYXSGGFFYZBFY-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM CN1CCOc2cc(Nc3cc([O-])c(F)c(F)c3)ccc21 ZINC001213044562 815211115 /nfs/dbraw/zinc/21/11/15/815211115.db2.gz NVZFYWVBSGITQO-UHFFFAOYSA-N -1 1 292.285 3.243 20 0 CGADMM COc1cccc(OC)c1[N-]c1nnc(C(C)(C)C)o1 ZINC001173922024 808762553 /nfs/dbraw/zinc/76/25/53/808762553.db2.gz KPFPKWFQYYOFOJ-UHFFFAOYSA-N -1 1 277.324 3.128 20 0 CGADMM CCCn1cc(Nc2cc([O-])c(F)c(F)c2)cn1 ZINC001174220775 808909016 /nfs/dbraw/zinc/90/90/16/808909016.db2.gz WNSXBZQLOVPVFE-UHFFFAOYSA-N -1 1 253.252 3.021 20 0 CGADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cncnc1 ZINC001174386606 808987297 /nfs/dbraw/zinc/98/72/97/808987297.db2.gz GOMMBFGIBZYDDU-UHFFFAOYSA-N -1 1 256.092 3.233 20 0 CGADMM CCOc1ncccc1Nc1ccc(F)c(F)c1[O-] ZINC001174457481 809020759 /nfs/dbraw/zinc/02/07/59/809020759.db2.gz AXOYRXXCVPVTHW-UHFFFAOYSA-N -1 1 266.247 3.208 20 0 CGADMM Cc1n[nH]cc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001174474264 809030627 /nfs/dbraw/zinc/03/06/27/809030627.db2.gz XIBPMEYJBFFUES-UHFFFAOYSA-N -1 1 258.108 3.474 20 0 CGADMM Cc1cccc2c1nc(N)n2-c1cccc(/C=C/C(=O)[O-])c1 ZINC001174494938 809041740 /nfs/dbraw/zinc/04/17/40/809041740.db2.gz KRPIEORKAGASOK-CMDGGOBGSA-N -1 1 293.326 3.014 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccc2cc[nH]c2c1 ZINC001174747609 809150783 /nfs/dbraw/zinc/15/07/83/809150783.db2.gz HDVBPPICFIGCGW-UHFFFAOYSA-N -1 1 287.304 3.094 20 0 CGADMM CC(=O)c1cccc(O)c1Nc1c(F)ccc([O-])c1F ZINC001175268500 809333140 /nfs/dbraw/zinc/33/31/40/809333140.db2.gz QXGVFVGCJKBPHT-UHFFFAOYSA-N -1 1 279.242 3.322 20 0 CGADMM CCc1ccccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001290552464 809409821 /nfs/dbraw/zinc/40/98/21/809409821.db2.gz NHKVFPRSLXLVJQ-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM CCCCN(C(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001294414284 809468181 /nfs/dbraw/zinc/46/81/81/809468181.db2.gz JOPDJZYVEFNLFN-UHFFFAOYSA-N -1 1 297.354 3.408 20 0 CGADMM C[C@@H](NC(=O)c1cccc([O-])c1F)c1ccc(Cl)cn1 ZINC001296508794 809504763 /nfs/dbraw/zinc/50/47/63/809504763.db2.gz FQGFUUWIGYBZIM-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cscc2C)c1 ZINC001175766159 809537702 /nfs/dbraw/zinc/53/77/02/809537702.db2.gz ZFASOADOXYCUQP-UHFFFAOYSA-N -1 1 297.401 3.299 20 0 CGADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001299585296 809552346 /nfs/dbraw/zinc/55/23/46/809552346.db2.gz CELVYAJIGGVQCU-RKDXNWHRSA-N -1 1 269.291 3.291 20 0 CGADMM CC(C)(C)c1nnc([N-]c2ccc(F)cn2)s1 ZINC001175846661 809555214 /nfs/dbraw/zinc/55/52/14/809555214.db2.gz LNYWUMABFUPYRG-UHFFFAOYSA-N -1 1 252.318 3.113 20 0 CGADMM c1nc([N-]c2cc(Cc3ccccc3)no2)cs1 ZINC001175938596 809576019 /nfs/dbraw/zinc/57/60/19/809576019.db2.gz ZAKRLDXRODWMAX-UHFFFAOYSA-N -1 1 257.318 3.466 20 0 CGADMM CCOc1cc(Nc2ccnc(Cl)c2[O-])c(F)cn1 ZINC001176602184 809728118 /nfs/dbraw/zinc/72/81/18/809728118.db2.gz PPUQZCWWNLMDEL-UHFFFAOYSA-N -1 1 283.690 3.117 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc3c(c2)OCO3)c1F ZINC001176669480 809737875 /nfs/dbraw/zinc/73/78/75/809737875.db2.gz IFHVZWRBNPJATJ-UHFFFAOYSA-N -1 1 283.205 3.282 20 0 CGADMM Cn1ccc2cc(Nc3c(F)cc(F)c([O-])c3F)cnc21 ZINC001176663970 809738863 /nfs/dbraw/zinc/73/88/63/809738863.db2.gz PVISWBHXAPUXQZ-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM Cc1sccc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176993940 809773621 /nfs/dbraw/zinc/77/36/21/809773621.db2.gz JZXJYWQHMIZAKO-UHFFFAOYSA-N -1 1 281.764 3.346 20 0 CGADMM CC(C)CCCC(=O)NCCc1c(F)cc([O-])cc1F ZINC001178785549 809887731 /nfs/dbraw/zinc/88/77/31/809887731.db2.gz WOVCLEPBAWOUCZ-UHFFFAOYSA-N -1 1 285.334 3.155 20 0 CGADMM C[C@@H]1CCC[C@@H](C(=O)NCCc2c(F)cc([O-])cc2F)C1 ZINC001178784955 809888058 /nfs/dbraw/zinc/88/80/58/809888058.db2.gz MBIMBABCADJLCA-GHMZBOCLSA-N -1 1 297.345 3.155 20 0 CGADMM C[C@H]1CCCC[C@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178784681 809888185 /nfs/dbraw/zinc/88/81/85/809888185.db2.gz BMUMIAGOMVGESF-CMPLNLGQSA-N -1 1 297.345 3.155 20 0 CGADMM COc1cccc(NCc2cccc([O-])c2Cl)n1 ZINC001179135635 809906497 /nfs/dbraw/zinc/90/64/97/809906497.db2.gz YZAGNACHHVYEKR-UHFFFAOYSA-N -1 1 264.712 3.061 20 0 CGADMM CCC1(CC)C[C@@H]1C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001181881495 810079473 /nfs/dbraw/zinc/07/94/73/810079473.db2.gz MXSJHAUBMIBLFJ-CYBMUJFWSA-N -1 1 299.374 3.343 20 0 CGADMM CCON(CC)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001184151939 810179369 /nfs/dbraw/zinc/17/93/69/810179369.db2.gz ALQAXLLWLDHGMT-UHFFFAOYSA-N -1 1 294.738 3.007 20 0 CGADMM CC(=O)c1cccc(NC(=O)c2ccc([O-])c(F)c2)c1C ZINC001186226008 810321113 /nfs/dbraw/zinc/32/11/13/810321113.db2.gz JPWICCBCYXDSDN-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM O=C(Nc1cc(O)cc(Cl)c1)c1ccc([O-])cc1F ZINC001186329690 810328648 /nfs/dbraw/zinc/32/86/48/810328648.db2.gz UPJGJKVLGULFQG-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM Cc1ccc(CNC(=O)c2ccc([O-])cc2F)c(F)c1F ZINC001186337576 810329706 /nfs/dbraw/zinc/32/97/06/810329706.db2.gz MPOBIXLSZIXGOH-UHFFFAOYSA-N -1 1 295.260 3.048 20 0 CGADMM COc1cccc(CSc2ncc(C)c(=O)[n-]2)c1Cl ZINC001189399094 810567727 /nfs/dbraw/zinc/56/77/27/810567727.db2.gz APZLOAZGKFLLKP-UHFFFAOYSA-N -1 1 296.779 3.445 20 0 CGADMM Cc1cc2ccccc2cc1[N-]S(=O)(=O)c1ccncc1 ZINC001190898134 810656124 /nfs/dbraw/zinc/65/61/24/810656124.db2.gz PMGMZXJKGRRLMX-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CCCCCCNC(=O)Nc1ccc([O-])c(F)c1F ZINC001191972567 810760684 /nfs/dbraw/zinc/76/06/84/810760684.db2.gz KTJWYSISQYVFIA-UHFFFAOYSA-N -1 1 272.295 3.372 20 0 CGADMM Cc1cnc(Cl)c(NC(=O)c2cc([O-])cc(F)c2F)c1 ZINC001192652247 810813239 /nfs/dbraw/zinc/81/32/39/810813239.db2.gz XFUSQRCVCHBNPN-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)OC1CCCC1 ZINC001193531365 810904706 /nfs/dbraw/zinc/90/47/06/810904706.db2.gz PQNIXWYWZVXPAX-UHFFFAOYSA-N -1 1 287.319 3.069 20 0 CGADMM O=C(Nc1c(F)cc([O-])cc1F)OC1CCCC1 ZINC001193566563 810910061 /nfs/dbraw/zinc/91/00/61/810910061.db2.gz HUEFUGQQIBEWIJ-UHFFFAOYSA-N -1 1 257.236 3.162 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)OC2CCCCC2)c1 ZINC001193629129 810922589 /nfs/dbraw/zinc/92/25/89/810922589.db2.gz GUPQKXZVPMJAIQ-UHFFFAOYSA-N -1 1 293.319 3.060 20 0 CGADMM Cc1cnc(C)c(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214479842 815415071 /nfs/dbraw/zinc/41/50/71/815415071.db2.gz FYZBKRXFRHGHEN-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM CC(C)c1nnc(Nc2cc(F)c([O-])c(Cl)c2)o1 ZINC001214480456 815415439 /nfs/dbraw/zinc/41/54/39/815415439.db2.gz QZQVWMVMTYQBCJ-UHFFFAOYSA-N -1 1 271.679 3.435 20 0 CGADMM Cc1cnc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214479659 815415472 /nfs/dbraw/zinc/41/54/72/815415472.db2.gz CPENMRKWXLFDSE-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM Nc1cccc2c1CCN2c1cc(F)c([O-])c(Cl)c1 ZINC001214494184 815417588 /nfs/dbraw/zinc/41/75/88/815417588.db2.gz KTXOUJRXCFLXGB-UHFFFAOYSA-N -1 1 278.714 3.461 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc2cccccc-2c1 ZINC001195458784 811256293 /nfs/dbraw/zinc/25/62/93/811256293.db2.gz VEEBXOHGBVMEMA-UHFFFAOYSA-N -1 1 274.345 3.234 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1c(CC)cccc1CC ZINC001195486937 811260003 /nfs/dbraw/zinc/26/00/03/811260003.db2.gz OAFRSJMUGDHNKO-UHFFFAOYSA-N -1 1 280.393 3.254 20 0 CGADMM CCCCCNC(=S)Nc1cc(F)cc(F)c1[O-] ZINC001200059030 811633408 /nfs/dbraw/zinc/63/34/08/811633408.db2.gz ITQZRQGAVHJACX-UHFFFAOYSA-N -1 1 274.336 3.147 20 0 CGADMM O=C(Nc1ccccc1)Nc1ccc([O-])c(F)c1F ZINC001201955321 811982924 /nfs/dbraw/zinc/98/29/24/811982924.db2.gz KTWNQKBPBNKLKQ-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM COc1ccc(NC(=O)Nc2cc(F)c(F)cc2[O-])cc1 ZINC001202392823 812083394 /nfs/dbraw/zinc/08/33/94/812083394.db2.gz ONVMDUVOFYDMNZ-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM O=C(NCc1ccccc1)Nc1cccc([O-])c1Cl ZINC001202634101 812142291 /nfs/dbraw/zinc/14/22/91/812142291.db2.gz YEOOXUGAOUUFMV-UHFFFAOYSA-N -1 1 276.723 3.367 20 0 CGADMM CSc1nc(Nc2ccn(C(C)C)c2)cc(=O)[n-]1 ZINC001203160428 812256631 /nfs/dbraw/zinc/25/66/31/812256631.db2.gz WJLRIFPFLNDBTO-UHFFFAOYSA-N -1 1 264.354 3.030 20 0 CGADMM Cc1cnc(C)c(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001203664045 812423051 /nfs/dbraw/zinc/42/30/51/812423051.db2.gz VNLFCNSBDXVSMR-UHFFFAOYSA-N -1 1 250.248 3.426 20 0 CGADMM COC(=O)c1cccc(F)c1Nc1cc(F)c([O-])cc1F ZINC001215573714 815538520 /nfs/dbraw/zinc/53/85/20/815538520.db2.gz OPXWULUHCDHGAC-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM CC(=O)N(C)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001215573779 815538891 /nfs/dbraw/zinc/53/88/91/815538891.db2.gz PZIWLZGTYCSBGH-UHFFFAOYSA-N -1 1 292.285 3.397 20 0 CGADMM CC(=O)Oc1ccc(F)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001215576514 815539393 /nfs/dbraw/zinc/53/93/93/815539393.db2.gz BJPSVDSELQNDDP-UHFFFAOYSA-N -1 1 297.232 3.478 20 0 CGADMM Cc1nn(C)c2ccc(Nc3ccnc(Cl)c3[O-])cc12 ZINC001204859471 812756271 /nfs/dbraw/zinc/75/62/71/812756271.db2.gz XECXRLSWAZZVIL-UHFFFAOYSA-N -1 1 288.738 3.379 20 0 CGADMM CSc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)c(C)c1 ZINC001206101806 813200821 /nfs/dbraw/zinc/20/08/21/813200821.db2.gz XRGDZUJMJGHSSL-UHFFFAOYSA-N -1 1 294.312 3.187 20 0 CGADMM CSc1ccc(-c2ccc([P@](=O)([O-])O)cc2)c(C)c1 ZINC001206101806 813200823 /nfs/dbraw/zinc/20/08/23/813200823.db2.gz XRGDZUJMJGHSSL-UHFFFAOYSA-N -1 1 294.312 3.187 20 0 CGADMM Cn1ccc(Nc2c(Cl)ccc([O-])c2Cl)cc1=O ZINC001206114494 813204070 /nfs/dbraw/zinc/20/40/70/813204070.db2.gz LCLIDQOGRPSLGF-UHFFFAOYSA-N -1 1 285.130 3.141 20 0 CGADMM O=C([O-])c1cc(-c2cc(N3CCCC3)ccn2)cs1 ZINC001206256699 813258187 /nfs/dbraw/zinc/25/81/87/813258187.db2.gz GUQGASPUGCIFGX-UHFFFAOYSA-N -1 1 274.345 3.109 20 0 CGADMM COC(=O)c1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001206775987 813434857 /nfs/dbraw/zinc/43/48/57/813434857.db2.gz URCGFBBVYWHRMZ-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM COc1cc(F)cc(-c2cc(F)c([O-])cc2F)c1 ZINC001206775602 813435332 /nfs/dbraw/zinc/43/53/32/813435332.db2.gz CPQVWKOABJMZDH-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CSc1nc(Nc2cnc(SC)c(C)c2)cc(=O)[n-]1 ZINC001215827210 815606783 /nfs/dbraw/zinc/60/67/83/815606783.db2.gz KEBVGRZETSPNKU-UHFFFAOYSA-N -1 1 294.405 3.073 20 0 CGADMM COc1cc(F)c(F)cc1[N-]c1nnc(C(C)C)o1 ZINC001210547566 814518820 /nfs/dbraw/zinc/51/88/20/814518820.db2.gz WMDSMCGNVXMCAP-UHFFFAOYSA-N -1 1 269.251 3.223 20 0 CGADMM CCOC(=O)c1sc(SC)nc1[N-]c1cnoc1C ZINC001210582957 814540295 /nfs/dbraw/zinc/54/02/95/814540295.db2.gz AAGVBIHQEQWEGP-UHFFFAOYSA-N -1 1 299.377 3.082 20 0 CGADMM CCOc1cncc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001210662625 814575914 /nfs/dbraw/zinc/57/59/14/814575914.db2.gz HTMRARMAHMTENQ-UHFFFAOYSA-N -1 1 298.298 3.036 20 0 CGADMM CCOC(=O)c1ccnc(-c2cccc([O-])c2Cl)c1 ZINC001242797433 823135414 /nfs/dbraw/zinc/13/54/14/823135414.db2.gz BAGCTWPYPSSWOJ-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM CCc1[nH]nc2ncc(Nc3ccnc(Cl)c3[O-])cc21 ZINC001210887551 814664973 /nfs/dbraw/zinc/66/49/73/814664973.db2.gz NWPKMYGYLHQLMG-UHFFFAOYSA-N -1 1 289.726 3.018 20 0 CGADMM [O-]c1c(Cl)cc(Nc2cncnc2)cc1Cl ZINC001210922953 814676406 /nfs/dbraw/zinc/67/64/06/814676406.db2.gz FROGDVSBZLLMIE-UHFFFAOYSA-N -1 1 256.092 3.233 20 0 CGADMM Cc1nnc([N-]c2cc3c(nc(C)n3C(C)C)c(F)c2)o1 ZINC001210923365 814676518 /nfs/dbraw/zinc/67/65/18/814676518.db2.gz CREPIMKHSOVBAV-UHFFFAOYSA-N -1 1 289.314 3.500 20 0 CGADMM [O-]c1c(Cl)cc(Nc2ccc(CO)nc2)cc1Cl ZINC001210926786 814678014 /nfs/dbraw/zinc/67/80/14/814678014.db2.gz OBCIMRBNJOPZDG-UHFFFAOYSA-N -1 1 285.130 3.330 20 0 CGADMM COC(=O)c1cc(-c2cccc([O-])c2Cl)ncc1F ZINC001242797413 823135172 /nfs/dbraw/zinc/13/51/72/823135172.db2.gz IITIFWUCXHJXDL-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM Cc1nc2cccnc2c(-c2cccc([O-])c2Cl)n1 ZINC001242800017 823136539 /nfs/dbraw/zinc/13/65/39/823136539.db2.gz BINRUERJSNLZQY-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM CCOC(=O)c1ccncc1-c1cccc([O-])c1Cl ZINC001242803258 823138348 /nfs/dbraw/zinc/13/83/48/823138348.db2.gz XNKCQZSBYUJMAS-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM Cc1coc([N-]c2cc(Br)cnc2F)n1 ZINC001211264532 814866065 /nfs/dbraw/zinc/86/60/65/814866065.db2.gz KAWSDPVKGFMRDJ-UHFFFAOYSA-N -1 1 272.077 3.023 20 0 CGADMM COc1nccc(SC)c1Nc1ccnc(Cl)c1[O-] ZINC001215929852 815634555 /nfs/dbraw/zinc/63/45/55/815634555.db2.gz SHDBSVCFVRJXLY-UHFFFAOYSA-N -1 1 297.767 3.310 20 0 CGADMM [O-]c1cc(F)cnc1Nc1cc(C2CC2)cnc1F ZINC001215954943 815640814 /nfs/dbraw/zinc/64/08/14/815640814.db2.gz YQJHOXCCILVNTI-UHFFFAOYSA-N -1 1 263.247 3.081 20 0 CGADMM CC(=O)c1ccccc1-c1noc(-c2cccc([O-])c2F)n1 ZINC001215984802 815651056 /nfs/dbraw/zinc/65/10/56/815651056.db2.gz ZRHUULSGGHATBQ-UHFFFAOYSA-N -1 1 298.273 3.451 20 0 CGADMM CN(C)c1ccccc1-c1noc(-c2cccc([O-])c2F)n1 ZINC001215989218 815653415 /nfs/dbraw/zinc/65/34/15/815653415.db2.gz VFXMLPKJIBRSSU-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM CSc1nc(Nc2cc(Cl)ccc2O)cc(=O)[n-]1 ZINC001216398091 815811319 /nfs/dbraw/zinc/81/13/19/815811319.db2.gz LJCLKAJCUZKSDK-UHFFFAOYSA-N -1 1 283.740 3.007 20 0 CGADMM CCOc1ccc(Cl)cc1[N-]c1nnc(C)o1 ZINC001216447020 815831945 /nfs/dbraw/zinc/83/19/45/815831945.db2.gz KZEVFVUTOYXGMA-UHFFFAOYSA-N -1 1 253.689 3.174 20 0 CGADMM CCCOc1ccc([N-]c2nnc(-c3ccco3)o2)cn1 ZINC001216584056 815864370 /nfs/dbraw/zinc/86/43/70/815864370.db2.gz IJFXKZRXIKPULS-UHFFFAOYSA-N -1 1 286.291 3.257 20 0 CGADMM [S-]c1cccc(-c2cc(-n3ccnc3)ccn2)c1 ZINC001242865072 823157806 /nfs/dbraw/zinc/15/78/06/823157806.db2.gz SZSJIXXJKPTUIJ-UHFFFAOYSA-N -1 1 253.330 3.223 20 0 CGADMM Cc1cc(-c2noc(-c3c(C)cc(O)cc3[O-])n2)cc(C)n1 ZINC001216987535 815904989 /nfs/dbraw/zinc/90/49/89/815904989.db2.gz WDMQOLNECUVASN-UHFFFAOYSA-N -1 1 297.314 3.135 20 0 CGADMM Cc1c2[nH]cnc2ccc1-c1ccccc1C(=O)[O-] ZINC001242878333 823161831 /nfs/dbraw/zinc/16/18/31/823161831.db2.gz KTQWCXCNZXVKOV-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CSc1nc2ncnc(-c3ccc(F)c([O-])c3)c2s1 ZINC001243053359 823229374 /nfs/dbraw/zinc/22/93/74/823229374.db2.gz BZGIYEQJDXAAIJ-UHFFFAOYSA-N -1 1 293.348 3.320 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H](C)c1ccc(C)nc1 ZINC001225616961 817114336 /nfs/dbraw/zinc/11/43/36/817114336.db2.gz RPIWUGIXRXBSIE-GFCCVEGCSA-N -1 1 271.316 3.438 20 0 CGADMM CCCC[C@@H](CCC)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226237183 817305767 /nfs/dbraw/zinc/30/57/67/817305767.db2.gz HJOYDNIMILONFM-LLVKDONJSA-N -1 1 266.341 3.123 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3CCCC[C@@H]3F)c12 ZINC001226487125 817372671 /nfs/dbraw/zinc/37/26/71/817372671.db2.gz VHWFALNYUOKBDT-NWDGAFQWSA-N -1 1 292.306 3.467 20 0 CGADMM CCC(CC)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226488259 817373690 /nfs/dbraw/zinc/37/36/90/817373690.db2.gz GGRYXAFNGPOKLA-UHFFFAOYSA-N -1 1 262.305 3.374 20 0 CGADMM COc1ccc(CC(=O)c2ccc([O-])cc2OC2CC2)cc1 ZINC001226544675 817392349 /nfs/dbraw/zinc/39/23/49/817392349.db2.gz UTHCDRRCGZNYHS-UHFFFAOYSA-N -1 1 298.338 3.367 20 0 CGADMM O=c1[n-]cncc1OC1c2ccccc2Oc2ccccc21 ZINC001227049870 817542833 /nfs/dbraw/zinc/54/28/33/817542833.db2.gz XLMOFDBMLGLKJU-UHFFFAOYSA-N -1 1 292.294 3.456 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H](C)CC(C)C ZINC001227169766 817578819 /nfs/dbraw/zinc/57/88/19/817578819.db2.gz ZMBOYHBQQJDBCE-NSHDSACASA-N -1 1 266.337 3.035 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1c(F)cccc1F ZINC001227385362 817636614 /nfs/dbraw/zinc/63/66/14/817636614.db2.gz KNCFZNIUJWIHLQ-ZCFIWIBFSA-N -1 1 286.278 3.323 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1cccc(F)c1 ZINC001227383216 817637212 /nfs/dbraw/zinc/63/72/12/817637212.db2.gz KLTSMZULVXIDTE-SSDOTTSWSA-N -1 1 268.288 3.184 20 0 CGADMM C[C@H](Oc1[n-]c(=O)nc2c1COC2)c1csc(Cl)c1 ZINC001227691296 817695372 /nfs/dbraw/zinc/69/53/72/817695372.db2.gz SRMBNMYPVMMFHO-LURJTMIESA-N -1 1 298.751 3.067 20 0 CGADMM Cc1ccccc1[C@H](C)Oc1[n-]c(=O)nc2c1CO[C@@H]2C ZINC001227709645 817699786 /nfs/dbraw/zinc/69/97/86/817699786.db2.gz FAOUOWJZLZSYME-WDEREUQCSA-N -1 1 286.331 3.222 20 0 CGADMM Cc1ccc([C@@H](C)Oc2[n-]c(=O)nc3c2CO[C@@H]3C)cc1 ZINC001227717086 817701846 /nfs/dbraw/zinc/70/18/46/817701846.db2.gz XCUQWAJTXDKLPQ-GHMZBOCLSA-N -1 1 286.331 3.222 20 0 CGADMM C[C@H](Oc1cccnc1-c1ncccc1[O-])C1CCC1 ZINC001231199583 818055862 /nfs/dbraw/zinc/05/58/62/818055862.db2.gz FERYRTAWQUYJAM-NSHDSACASA-N -1 1 270.332 3.417 20 0 CGADMM Cc1cnc2c(c1)CN(Cc1ccc(Cl)c([O-])c1)CC2 ZINC001231735902 818163527 /nfs/dbraw/zinc/16/35/27/818163527.db2.gz VOUCKNCFCFYGHW-UHFFFAOYSA-N -1 1 288.778 3.307 20 0 CGADMM CN(Cc1cccc([O-])c1Cl)C1CC(F)(F)C1 ZINC001232784953 818439290 /nfs/dbraw/zinc/43/92/90/818439290.db2.gz ZZRFXUFSHJELDU-UHFFFAOYSA-N -1 1 261.699 3.275 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@H]2c2cccnc2)c1F ZINC001232931959 818476082 /nfs/dbraw/zinc/47/60/82/818476082.db2.gz URVJUTXQLHNYIF-AWEZNQCLSA-N -1 1 290.313 3.403 20 0 CGADMM [O-]c1c(F)ccc(CN2Cc3cccc(F)c3C2)c1F ZINC001232934280 818476084 /nfs/dbraw/zinc/47/60/84/818476084.db2.gz DNCMTNLKFWFHSY-UHFFFAOYSA-N -1 1 279.261 3.325 20 0 CGADMM [O-]c1c(F)ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1F ZINC001232935569 818477404 /nfs/dbraw/zinc/47/74/04/818477404.db2.gz UCUKKLNCMTZBRA-NSHDSACASA-N -1 1 290.313 3.055 20 0 CGADMM COc1ccccc1CN(C)Cc1ccc(F)c([O-])c1F ZINC001232936188 818478099 /nfs/dbraw/zinc/47/80/99/818478099.db2.gz RFXYEJRQZDDLBZ-UHFFFAOYSA-N -1 1 293.313 3.311 20 0 CGADMM [O-]c1cc(CN2Cc3cccc(F)c3C2)cc(F)c1F ZINC001232972901 818488512 /nfs/dbraw/zinc/48/85/12/818488512.db2.gz FMCNFBJVTTVKOZ-UHFFFAOYSA-N -1 1 279.261 3.325 20 0 CGADMM O=C1CCN(Cc2ccc([S-])cc2)[C@@H]2CCCC[C@@H]12 ZINC001233258367 818557419 /nfs/dbraw/zinc/55/74/19/818557419.db2.gz CANAPQYJWRGTLB-HUUCEWRRSA-N -1 1 275.417 3.309 20 0 CGADMM [S-]c1ccc(CN2CCC[C@@H]2c2cnccn2)cc1 ZINC001233261461 818558533 /nfs/dbraw/zinc/55/85/33/818558533.db2.gz QBZOQXMZXQXASU-OAHLLOKOSA-N -1 1 271.389 3.102 20 0 CGADMM Cc1nc(C)c(C)c(-c2ccc([O-])c(F)c2F)n1 ZINC001243338643 823352412 /nfs/dbraw/zinc/35/24/12/823352412.db2.gz HDDWWBQOCDYSEB-UHFFFAOYSA-N -1 1 250.248 3.053 20 0 CGADMM [O-]c1ccc(-c2cccc(OC(F)F)n2)c(F)c1F ZINC001243341925 823354923 /nfs/dbraw/zinc/35/49/23/823354923.db2.gz VOYZDMGPQIHADA-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM COC(=O)c1cc(F)ccc1-c1ccc([O-])c(F)c1F ZINC001243341731 823356508 /nfs/dbraw/zinc/35/65/08/823356508.db2.gz CKDQBMGVLWUFEV-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COC(=O)CCc1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243342731 823356666 /nfs/dbraw/zinc/35/66/66/823356666.db2.gz RGWPHSUQTBSCCZ-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM [O-]c1ccc(-c2ccc(-c3nc[nH]n3)cc2)c(F)c1F ZINC001243342107 823357134 /nfs/dbraw/zinc/35/71/34/823357134.db2.gz CGJNTGCPQYUOJS-UHFFFAOYSA-N -1 1 273.242 3.123 20 0 CGADMM CC(=O)Oc1cccc(-c2ccc([O-])c(F)c2F)c1 ZINC001243343088 823358772 /nfs/dbraw/zinc/35/87/72/823358772.db2.gz WFJSGGWUHPUGBL-UHFFFAOYSA-N -1 1 264.227 3.263 20 0 CGADMM [O-]c1ccc(-c2ccc3cncnc3c2)c(F)c1F ZINC001243343233 823359040 /nfs/dbraw/zinc/35/90/40/823359040.db2.gz XWFIBRVHJKJGIY-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1ccc(-c2ccc([O-])c(F)c2F)c(OC)c1OC ZINC001243343726 823359510 /nfs/dbraw/zinc/35/95/10/823359510.db2.gz OXDIQNJBMIPWND-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM COC(=O)c1cccc2[n-]c(O[C@H]3CCCC[C@@H]3F)nc21 ZINC001234043582 818765928 /nfs/dbraw/zinc/76/59/28/818765928.db2.gz DNDHIFQKRRJQDB-JQWIXIFHSA-N -1 1 292.310 3.009 20 0 CGADMM COC(=O)c1cccc2nc(O[C@H]3CCCC[C@@H]3F)[n-]c21 ZINC001234043582 818765936 /nfs/dbraw/zinc/76/59/36/818765936.db2.gz DNDHIFQKRRJQDB-JQWIXIFHSA-N -1 1 292.310 3.009 20 0 CGADMM CC[C@H]1OC(=O)C(Oc2c([O-])cc(Cl)cc2F)=C1C ZINC001234447001 818857798 /nfs/dbraw/zinc/85/77/98/818857798.db2.gz IANBYRHAYJEVMP-SNVBAGLBSA-N -1 1 286.686 3.173 20 0 CGADMM O=C([O-])c1c(Cl)ccc(-c2ccc3[nH]nnc3c2)c1F ZINC001236159873 819350282 /nfs/dbraw/zinc/35/02/82/819350282.db2.gz YCQJJNCNQQLKJV-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM O=C([O-])c1c(Cl)ccc(-c2ccc3nn[nH]c3c2)c1F ZINC001236159873 819350289 /nfs/dbraw/zinc/35/02/89/819350289.db2.gz YCQJJNCNQQLKJV-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM CSc1c[nH]c2ncnc(-c3c(F)ccc(C)c3[O-])c12 ZINC001236393971 819448553 /nfs/dbraw/zinc/44/85/53/819448553.db2.gz ZIPBSLJNXUESJZ-UHFFFAOYSA-N -1 1 289.335 3.452 20 0 CGADMM Cc1ccc(F)c(-c2ccc(OC(C)(C)C)nn2)c1[O-] ZINC001236393214 819448657 /nfs/dbraw/zinc/44/86/57/819448657.db2.gz SSLWWRCVRWEENN-UHFFFAOYSA-N -1 1 276.311 3.474 20 0 CGADMM O=C1OCc2c1cccc2-c1cc(F)cc(F)c1[O-] ZINC001243502202 823421539 /nfs/dbraw/zinc/42/15/39/823421539.db2.gz GXWBJCPRVUVBTL-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM COC(=O)c1ccc(F)cc1-c1cc(F)cc(F)c1[O-] ZINC001243502268 823421712 /nfs/dbraw/zinc/42/17/12/823421712.db2.gz JNXJECGLNVPJRL-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM C[S@](=O)c1ccccc1-c1cc(F)cc(F)c1[O-] ZINC001243502660 823421886 /nfs/dbraw/zinc/42/18/86/823421886.db2.gz MWVJOGOXAOIIRU-SFHVURJKSA-N -1 1 268.284 3.075 20 0 CGADMM COCc1cccc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243503118 823421913 /nfs/dbraw/zinc/42/19/13/823421913.db2.gz AEPQRRZESJWPDM-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cc2[nH]cnc2cc1F ZINC001243504370 823422278 /nfs/dbraw/zinc/42/22/78/823422278.db2.gz LTJGAMMSDLQSBF-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM CC(C)(C)c1ncncc1-c1cc(F)cc(F)c1[O-] ZINC001243505709 823423570 /nfs/dbraw/zinc/42/35/70/823423570.db2.gz VEOCKKMDSIZBQD-UHFFFAOYSA-N -1 1 264.275 3.425 20 0 CGADMM [O-]c1cccc(-c2ncc(-c3cccnc3)cn2)c1F ZINC001243546114 823439064 /nfs/dbraw/zinc/43/90/64/823439064.db2.gz JDQQGQBEMZVFGN-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM [O-]c1cc(-c2ncnc3sncc32)ccc1Cl ZINC001243578893 823453067 /nfs/dbraw/zinc/45/30/67/823453067.db2.gz LDUGTRNSUUTAKM-UHFFFAOYSA-N -1 1 263.709 3.112 20 0 CGADMM Cc1cc(-c2ccc(Cl)c([O-])c2)c2ncnn2c1 ZINC001243577742 823452332 /nfs/dbraw/zinc/45/23/32/823452332.db2.gz DDMWTLWQDGBKDY-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM Nc1ccc2ccc(-c3ccc(Cl)c([O-])c3)nc2n1 ZINC001243579342 823452935 /nfs/dbraw/zinc/45/29/35/823452935.db2.gz QVAJFEGOSSKLJF-UHFFFAOYSA-N -1 1 271.707 3.238 20 0 CGADMM CNC(=O)c1ccccc1-c1ccc(Cl)c([O-])c1 ZINC001243581781 823454194 /nfs/dbraw/zinc/45/41/94/823454194.db2.gz UNZGBSPBVWBPGB-UHFFFAOYSA-N -1 1 261.708 3.072 20 0 CGADMM Cn1cnc2ccnc(-c3ccc(C(F)(F)F)cc3[O-])c21 ZINC001243606914 823465123 /nfs/dbraw/zinc/46/51/23/823465123.db2.gz LBLLUYZGGOILGR-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM COc1cc2[nH]cnc2cc1-c1ccc(C(=O)[O-])cc1F ZINC001239262436 820244890 /nfs/dbraw/zinc/24/48/90/820244890.db2.gz SCCUAFCQTQAWNH-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccc(OC)cc3)ccc2[n-]1 ZINC001239485710 820336731 /nfs/dbraw/zinc/33/67/31/820336731.db2.gz NRMRWPGPVQCOSV-UHFFFAOYSA-N -1 1 296.326 3.415 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccc(OC)cc3)cc2[n-]1 ZINC001239485710 820336742 /nfs/dbraw/zinc/33/67/42/820336742.db2.gz NRMRWPGPVQCOSV-UHFFFAOYSA-N -1 1 296.326 3.415 20 0 CGADMM CC(C)c1ccccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001239866484 820671995 /nfs/dbraw/zinc/67/19/95/820671995.db2.gz JOZWGWCECDZMJD-UHFFFAOYSA-N -1 1 265.320 3.052 20 0 CGADMM CC(C)c1ccccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001239866484 820671998 /nfs/dbraw/zinc/67/19/98/820671998.db2.gz JOZWGWCECDZMJD-UHFFFAOYSA-N -1 1 265.320 3.052 20 0 CGADMM CCOC(=O)Cc1ccnc(-c2cc(F)ccc2[O-])c1C ZINC001240694454 821250901 /nfs/dbraw/zinc/25/09/01/821250901.db2.gz VCGLPIWCGKKALV-UHFFFAOYSA-N -1 1 289.306 3.007 20 0 CGADMM [O-]c1ccc(F)cc1-c1nccnc1C(F)(F)F ZINC001240695054 821251504 /nfs/dbraw/zinc/25/15/04/821251504.db2.gz AQYIDMDYCWDQPO-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM Cc1cc(C(F)(F)F)c(-c2ccc([O-])c(F)c2)nn1 ZINC001240782750 821320925 /nfs/dbraw/zinc/32/09/25/821320925.db2.gz HQDTZXGABCXJHG-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM COc1cccc2ncnc(-c3ccc([O-])c(F)c3)c21 ZINC001240782764 821321188 /nfs/dbraw/zinc/32/11/88/821321188.db2.gz IJQZGRAHCRTTMC-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM [O-]c1ccc(-c2nncc3cc(F)ccc32)cc1F ZINC001240781927 821322158 /nfs/dbraw/zinc/32/21/58/821322158.db2.gz LESJEYMMMCYCEB-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOC(=O)c1ccc(-c2ccc([O-])c(F)c2)nc1C ZINC001240783588 821323237 /nfs/dbraw/zinc/32/32/37/821323237.db2.gz QFLMUPGTXFTILQ-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM CC(C)(C)c1nc2c(ncnc2-c2ccc([O-])c(F)c2)[nH]1 ZINC001240786037 821325327 /nfs/dbraw/zinc/32/53/27/821325327.db2.gz IOTYEGJQJQNVAS-UHFFFAOYSA-N -1 1 286.310 3.162 20 0 CGADMM [O-]c1ccc(-c2ncc(-c3cccnc3)cn2)cc1F ZINC001240786498 821326163 /nfs/dbraw/zinc/32/61/63/821326163.db2.gz VUMYZXXZYQZXLA-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM CCOc1cc(-c2c(F)cc([O-])cc2F)nc(SC)n1 ZINC001241118612 821574159 /nfs/dbraw/zinc/57/41/59/821574159.db2.gz SCNZBKMXWZQMNF-UHFFFAOYSA-N -1 1 298.314 3.248 20 0 CGADMM COC(OC)c1cc(C)cnc1-c1c(F)cc([O-])cc1F ZINC001241120153 821575775 /nfs/dbraw/zinc/57/57/75/821575775.db2.gz MAWLHHDZFHCBTP-UHFFFAOYSA-N -1 1 295.285 3.332 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3nnc(C4CC4)n3c2)c(F)c1 ZINC001241121532 821576866 /nfs/dbraw/zinc/57/68/66/821576866.db2.gz LVOYSBGSYNZGGV-UHFFFAOYSA-N -1 1 287.269 3.258 20 0 CGADMM [O-]c1cc(F)c(-c2cc3[nH]cnc3cc2F)c(F)c1 ZINC001241121456 821577001 /nfs/dbraw/zinc/57/70/01/821577001.db2.gz KRJSIYIEJKNEQW-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)c(OC)c1 ZINC001241121012 821577233 /nfs/dbraw/zinc/57/72/33/821577233.db2.gz YGDCESLHZSWNDP-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM COc1cc(C)cnc1-c1c(F)ccc([O-])c1F ZINC001241289035 821706006 /nfs/dbraw/zinc/70/60/06/821706006.db2.gz HYFNUHPQHZKTEW-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COc1nnc(-c2c(F)ccc([O-])c2F)c2ccccc21 ZINC001241289949 821706329 /nfs/dbraw/zinc/70/63/29/821706329.db2.gz GUJUIOSXOIYVRY-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM COc1ccc2ncnc(-c3c(F)ccc([O-])c3F)c2c1 ZINC001241291116 821707818 /nfs/dbraw/zinc/70/78/18/821707818.db2.gz FTDYFQLSDHWKSA-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM Cn1cnc2c1ccnc2-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242147612 822893820 /nfs/dbraw/zinc/89/38/20/822893820.db2.gz BMMSMXJFGCKYLV-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM Cn1ccc2nc(-c3ccc([O-])c(C(F)(F)F)c3)cnc21 ZINC001242158357 822899389 /nfs/dbraw/zinc/89/93/89/822899389.db2.gz UPAGJMVQLXYSFF-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM [O-]c1ccc(-c2cc(F)cn3ncnc23)cc1C(F)(F)F ZINC001242167963 822900916 /nfs/dbraw/zinc/90/09/16/822900916.db2.gz FORGDHZDJAOBAK-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM COC(=O)c1nc2c(cccc2-c2cccc(F)c2[O-])o1 ZINC001242352100 822962076 /nfs/dbraw/zinc/96/20/76/822962076.db2.gz MEROZKOMZGQMDD-UHFFFAOYSA-N -1 1 287.246 3.126 20 0 CGADMM CC(C)COc1ncc(-c2cccc(F)c2[O-])cn1 ZINC001242353817 822963024 /nfs/dbraw/zinc/96/30/24/822963024.db2.gz QUGOZDKSZPKNNI-UHFFFAOYSA-N -1 1 262.284 3.023 20 0 CGADMM Cc1ccc(-c2cccc(Cl)c2[O-])cc1S(C)(=O)=O ZINC001242364361 822968310 /nfs/dbraw/zinc/96/83/10/822968310.db2.gz JGZYFKBWRBRFSU-UHFFFAOYSA-N -1 1 296.775 3.425 20 0 CGADMM Cc1nc2[nH]cnc2cc1-c1cccc(Cl)c1[O-] ZINC001242366624 822968763 /nfs/dbraw/zinc/96/87/63/822968763.db2.gz RCURGVGJCOLADI-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM CCc1ncoc1C(=O)[N-]c1c(OC)cccc1SC ZINC001347141956 936871509 /nfs/dbraw/zinc/87/15/09/936871509.db2.gz DHOSALLFCXAMKE-UHFFFAOYSA-N -1 1 292.360 3.220 20 0 CGADMM Cc1noc([N-][C@H](C)c2nc(C(C)(C)C)cs2)n1 ZINC001347981481 936904920 /nfs/dbraw/zinc/90/49/20/936904920.db2.gz SQSAGOKSEILPSM-SSDOTTSWSA-N -1 1 266.370 3.305 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2csc(C)c2)n1 ZINC001350876323 937001855 /nfs/dbraw/zinc/00/18/55/937001855.db2.gz LGWSIEWIWIWTGH-UHFFFAOYSA-N -1 1 266.391 3.407 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCC[C@@H]1CC1CCCCC1 ZINC001442556129 937342961 /nfs/dbraw/zinc/34/29/61/937342961.db2.gz YTNBTRFYPIIOTF-CQSZACIVSA-N -1 1 288.391 3.362 20 0 CGADMM O=C(N[C@@H](CC1CC1)c1ccccc1)c1ccc([O-])cn1 ZINC001444233935 937351665 /nfs/dbraw/zinc/35/16/65/937351665.db2.gz MXQALTLOJXLZIF-INIZCTEOSA-N -1 1 282.343 3.058 20 0 CGADMM COc1c(F)cc(F)cc1NC(=O)c1ccc([O-])cc1F ZINC001445518622 937358004 /nfs/dbraw/zinc/35/80/04/937358004.db2.gz WGVICUNUWOUQCJ-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2cccc([O-])c2F)[C@@H]1C ZINC001448659384 937375645 /nfs/dbraw/zinc/37/56/45/937375645.db2.gz JGZGJOMNKHGBBG-UTUOFQBUSA-N -1 1 279.355 3.333 20 0 CGADMM CC(C)c1cccc(C(=O)Nc2cc(F)cc(F)c2[O-])n1 ZINC001451751175 937391920 /nfs/dbraw/zinc/39/19/20/937391920.db2.gz HPRXWYVMVXWWMB-UHFFFAOYSA-N -1 1 292.285 3.441 20 0 CGADMM C[C@H]1CCC[C@@H](C(=O)[N-]Oc2ccccc2F)C1 ZINC001455475688 937417551 /nfs/dbraw/zinc/41/75/51/937417551.db2.gz LGUQZTXBGSIIIN-WDEREUQCSA-N -1 1 251.301 3.062 20 0 CGADMM CC(C)c1nc(C(=O)Nc2cc(F)c([O-])cc2Cl)c[nH]1 ZINC001456608480 937433012 /nfs/dbraw/zinc/43/30/12/937433012.db2.gz QZIHDHWNXBTTMG-UHFFFAOYSA-N -1 1 297.717 3.284 20 0 CGADMM CCC[C@H](C)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229216398 932116813 /nfs/dbraw/zinc/11/68/13/932116813.db2.gz QFONBEILLFKQAA-VIFPVBQESA-N -1 1 278.304 3.075 20 0 CGADMM CCOC(=O)[C@@H](CC)Oc1cc([O-])c(Cl)cc1Cl ZINC001229406458 932146088 /nfs/dbraw/zinc/14/60/88/932146088.db2.gz VNGOVDPFMWECID-SNVBAGLBSA-N -1 1 293.146 3.420 20 0 CGADMM CCC[C@@H](Oc1cc([O-])ccc1C(=O)CC)C(=O)OCC ZINC001229474121 932156885 /nfs/dbraw/zinc/15/68/85/932156885.db2.gz AIUSDWCICBZZSE-CQSZACIVSA-N -1 1 294.347 3.096 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)C(F)(F)F ZINC001229474177 932157477 /nfs/dbraw/zinc/15/74/77/932157477.db2.gz BYBVTRXOVAVCKX-ZETCQYMHSA-N -1 1 262.227 3.315 20 0 CGADMM C[C@@H](Oc1ccc(F)cc1CN(C)C)C1=CC=C[CH]1 ZINC001229859008 932495401 /nfs/dbraw/zinc/49/54/01/932495401.db2.gz VJYFFFARPLASSY-GFCCVEGCSA-N -1 1 260.332 3.355 20 0 CGADMM CCC[C@@H](Oc1nc(C)[n-]c(=O)c1OC)c1ccccc1 ZINC001230025591 932524285 /nfs/dbraw/zinc/52/42/85/932524285.db2.gz KKDSHTSKIHNTNK-CYBMUJFWSA-N -1 1 288.347 3.419 20 0 CGADMM CO[C@H](C)CCOc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231044118 932664204 /nfs/dbraw/zinc/66/42/04/932664204.db2.gz FIOPUUCZDFXHTK-ZCFIWIBFSA-N -1 1 290.150 3.069 20 0 CGADMM CO[C@H](C)CCOc1nc2cc(Cl)nc(Cl)c2[n-]1 ZINC001231044118 932664208 /nfs/dbraw/zinc/66/42/08/932664208.db2.gz FIOPUUCZDFXHTK-ZCFIWIBFSA-N -1 1 290.150 3.069 20 0 CGADMM COc1ccc(Nc2ccc(F)c(F)c2[O-])c(Cl)n1 ZINC001250291282 932719628 /nfs/dbraw/zinc/71/96/28/932719628.db2.gz XSECVRXOBMDBCC-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM COC1(CNC(=O)c2cc(F)ccc2[O-])CCCCCC1 ZINC001304767114 932855574 /nfs/dbraw/zinc/85/55/74/932855574.db2.gz IBMOHKMYUGNOKC-UHFFFAOYSA-N -1 1 295.354 3.001 20 0 CGADMM [O-]c1ccc(CN[C@@H]2C[C@]2(F)c2ccccc2)c(F)c1F ZINC001462366113 937635761 /nfs/dbraw/zinc/63/57/61/937635761.db2.gz WEFBRSPEWVRMJL-CJNGLKHVSA-N -1 1 293.288 3.397 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cnc2ccccc2c1 ZINC001306825333 932888233 /nfs/dbraw/zinc/88/82/33/932888233.db2.gz DJCBPQHAJDCDMM-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM CN1CCN(Cc2ccc([O-])c(F)c2F)c2ccccc21 ZINC001308675646 933156019 /nfs/dbraw/zinc/15/60/19/933156019.db2.gz KIPHXFHETHKGMG-UHFFFAOYSA-N -1 1 290.313 3.127 20 0 CGADMM O=C(NC1CCCCCC1)c1ncc2ccccc2c1[O-] ZINC001463549641 937676361 /nfs/dbraw/zinc/67/63/61/937676361.db2.gz LOYOICOBIDTCCR-UHFFFAOYSA-N -1 1 284.359 3.393 20 0 CGADMM C[C@@H]1CCCC[C@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001463586955 937676826 /nfs/dbraw/zinc/67/68/26/937676826.db2.gz QJOMGWXPAFNEIK-BXUZGUMPSA-N -1 1 284.359 3.249 20 0 CGADMM CC[C@@H](C)Oc1ccc(NC(=O)c2ccc([O-])cn2)cc1 ZINC001464452712 937690555 /nfs/dbraw/zinc/69/05/55/937690555.db2.gz YATMCAKNBUMQKE-LLVKDONJSA-N -1 1 286.331 3.217 20 0 CGADMM C[C@H](NC(=O)c1cccc([O-])c1F)c1ccc(F)c(F)c1 ZINC001465243082 937699434 /nfs/dbraw/zinc/69/94/34/937699434.db2.gz WYZFVVQBZQTBFW-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM CCCC[C@@H]1CCC[C@H]1NC(=O)c1ncc(C)cc1[O-] ZINC001464795876 937695646 /nfs/dbraw/zinc/69/56/46/937695646.db2.gz XVNLAYWYBBUKTR-CHWSQXEVSA-N -1 1 276.380 3.184 20 0 CGADMM CCOc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001469160779 937735768 /nfs/dbraw/zinc/73/57/68/937735768.db2.gz IMOFFXGIBXUWPM-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM CC1(C)C[C@@]1(C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001470395417 937752291 /nfs/dbraw/zinc/75/22/91/937752291.db2.gz NRCYODWYLBAVSF-QGZVFWFLSA-N -1 1 285.343 3.169 20 0 CGADMM O=C(Nc1cccc2ocnc21)c1c(F)ccc([O-])c1F ZINC001471034293 937760758 /nfs/dbraw/zinc/76/07/58/937760758.db2.gz CWUARIFCGJENBQ-UHFFFAOYSA-N -1 1 290.225 3.064 20 0 CGADMM CCC[C@H]1CCC[C@@H]1C(=O)[N-]Oc1ccccc1F ZINC001471718170 937768648 /nfs/dbraw/zinc/76/86/48/937768648.db2.gz GMUHHUDIGCIPKH-RYUDHWBXSA-N -1 1 265.328 3.452 20 0 CGADMM CC1(C)CCC[C@H](CNC(=O)c2c([O-])cccc2Cl)O1 ZINC001472251569 937774380 /nfs/dbraw/zinc/77/43/80/937774380.db2.gz KRVPRPRJUFTRES-SNVBAGLBSA-N -1 1 297.782 3.123 20 0 CGADMM C[C@@H]1Cc2cc(C(=O)Nc3ccc(F)cc3[O-])ccc2O1 ZINC001472533760 937777238 /nfs/dbraw/zinc/77/72/38/937777238.db2.gz AHCYJEMDWQPVDY-SECBINFHSA-N -1 1 287.290 3.107 20 0 CGADMM C[C@@H](F)CCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001472568922 937777586 /nfs/dbraw/zinc/77/75/86/937777586.db2.gz KTZKZCWTYVLYLY-MRVPVSSYSA-N -1 1 296.729 3.072 20 0 CGADMM Cc1ccccc1C(F)(F)C(=O)[N-]C1(C(F)(F)F)CC1 ZINC001326735405 935002496 /nfs/dbraw/zinc/00/24/96/935002496.db2.gz GIFFIQHTFCQIHY-UHFFFAOYSA-N -1 1 293.235 3.298 20 0 CGADMM CCc1ccc2nc(-c3coc(C4CC4)n3)[n-]c(=O)c2c1 ZINC001331847221 935414520 /nfs/dbraw/zinc/41/45/20/935414520.db2.gz WOTPSAIMRSCXMK-UHFFFAOYSA-N -1 1 281.315 3.430 20 0 CGADMM O=C(CC1(C(F)(F)F)CC1)Nc1cc(F)cc(F)c1[O-] ZINC001334214797 936092167 /nfs/dbraw/zinc/09/21/67/936092167.db2.gz OHESEBATDJZLIA-UHFFFAOYSA-N -1 1 295.207 3.342 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1ocnc1-c1ccccc1 ZINC001518233428 938014584 /nfs/dbraw/zinc/01/45/84/938014584.db2.gz RZXQQRJWBXAPKA-UHFFFAOYSA-N -1 1 297.314 3.453 20 0 CGADMM C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001540336586 938130338 /nfs/dbraw/zinc/13/03/38/938130338.db2.gz NNJHSIUKCVUAFL-LLVKDONJSA-N -1 1 289.762 3.466 20 0 CGADMM Cc1cc(NC(=O)c2ccc(F)c([O-])c2)ccc1N(C)C ZINC001540515313 938131926 /nfs/dbraw/zinc/13/19/26/938131926.db2.gz ZLMVJNUYFFLMBL-UHFFFAOYSA-N -1 1 288.322 3.158 20 0 CGADMM O=C(N[C@H](c1ccccc1)C1CC1)c1cc(F)ccc1[O-] ZINC001540728476 938133362 /nfs/dbraw/zinc/13/33/62/938133362.db2.gz IYBBVFHFUQMUHS-MRXNPFEDSA-N -1 1 285.318 3.412 20 0 CGADMM CCC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001541125835 938134565 /nfs/dbraw/zinc/13/45/65/938134565.db2.gz DQNRNGOBXOTFNZ-MRVPVSSYSA-N -1 1 275.270 3.329 20 0 CGADMM CC1(C)CC[C@@H](NC(=O)c2ncccc2[O-])c2ccccc21 ZINC001544257812 938144177 /nfs/dbraw/zinc/14/41/77/938144177.db2.gz NGLVPVAUWXOJLG-CQSZACIVSA-N -1 1 296.370 3.330 20 0 CGADMM CC(C)=CCCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001556189117 938202358 /nfs/dbraw/zinc/20/23/58/938202358.db2.gz GMJPHUULZYOVCW-UHFFFAOYSA-N -1 1 288.322 3.166 20 0 CGADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1cccc([O-])c1F ZINC001556500564 938204063 /nfs/dbraw/zinc/20/40/63/938204063.db2.gz LIQRCAZNYYZJIY-QMMMGPOBSA-N -1 1 293.260 3.382 20 0 CGADMM CC(=O)c1ccc(NC(=O)c2c(C)cccc2[O-])cc1C ZINC001556877055 938206273 /nfs/dbraw/zinc/20/62/73/938206273.db2.gz JHQQANSMIJWLII-UHFFFAOYSA-N -1 1 283.327 3.464 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@@H](C2CCCC2)C1 ZINC001557101209 938207914 /nfs/dbraw/zinc/20/79/14/938207914.db2.gz MDXPZIOWWGKGNC-CYBMUJFWSA-N -1 1 277.339 3.184 20 0 CGADMM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC001557165325 938208261 /nfs/dbraw/zinc/20/82/61/938208261.db2.gz SCGHYYONJVHAET-PHIMTYICSA-N -1 1 297.782 3.122 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1c(F)cc(F)cc1F ZINC001557957503 938212744 /nfs/dbraw/zinc/21/27/44/938212744.db2.gz URBXEBQAGDINMI-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM O=C(CSCc1cccs1)Nc1cccc(F)c1[O-] ZINC001557958237 938212785 /nfs/dbraw/zinc/21/27/85/938212785.db2.gz ZGDKXIKYAVQEQQ-UHFFFAOYSA-N -1 1 297.376 3.465 20 0 CGADMM C[C@H](CNC(=O)c1ncc2ccccc2c1[O-])C(C)(C)C ZINC001558393735 938215230 /nfs/dbraw/zinc/21/52/30/938215230.db2.gz YPYZZCVIZHEWCC-LLVKDONJSA-N -1 1 286.375 3.352 20 0 CGADMM Cc1cccnc1[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC001558782697 938217821 /nfs/dbraw/zinc/21/78/21/938217821.db2.gz VOJPNYKXLHTFIN-JTQLQIEISA-N -1 1 290.750 3.240 20 0 CGADMM O=C([O-])c1ccc(CN[C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001595232038 949353790 /nfs/dbraw/zinc/35/37/90/949353790.db2.gz BQDSWPHSHROLGF-WBVHZDCISA-N -1 1 285.318 3.112 20 0 CGADMM O=C([O-])CCCN1CC[C@H]1c1ccc(Br)cc1 ZINC001595048139 951451073 /nfs/dbraw/zinc/45/10/73/951451073.db2.gz JHEXUGNKVQYQLG-LBPRGKRZSA-N -1 1 298.180 3.061 20 0 CGADMM C[C@@](NCc1ccccc1F)(C(=O)[O-])c1ccc(F)cc1 ZINC000041762462 957394346 /nfs/dbraw/zinc/39/43/46/957394346.db2.gz AFIJPGAKINDTPN-INIZCTEOSA-N -1 1 291.297 3.054 20 0 CGADMM Cc1ccc2nc(SCCCCC(=O)[O-])[nH]c2c1 ZINC000061439613 957580786 /nfs/dbraw/zinc/58/07/86/957580786.db2.gz HBTFZIJEEGLXMS-UHFFFAOYSA-N -1 1 264.350 3.218 20 0 CGADMM Cc1cc([C@@H]2CCCCN2Cc2cccc(C(=O)[O-])c2)n[nH]1 ZINC001594301082 957909798 /nfs/dbraw/zinc/90/97/98/957909798.db2.gz HURWOLPYWVZADA-INIZCTEOSA-N -1 1 299.374 3.144 20 0 CGADMM Cc1cc([C@@H]2CCCCN2Cc2cccc(C(=O)[O-])c2)[nH]n1 ZINC001594301082 957909812 /nfs/dbraw/zinc/90/98/12/957909812.db2.gz HURWOLPYWVZADA-INIZCTEOSA-N -1 1 299.374 3.144 20 0 CGADMM O=C([O-])[C@@H](NCc1cccc(F)c1Cl)c1ccccc1 ZINC000122799893 958489190 /nfs/dbraw/zinc/48/91/90/958489190.db2.gz FDPBTEJYVLUSFS-AWEZNQCLSA-N -1 1 293.725 3.395 20 0 CGADMM CSc1ccc(C)c(NC(=O)c2ccc([O-])cn2)c1 ZINC001566855511 960576708 /nfs/dbraw/zinc/57/67/08/960576708.db2.gz FJTLSWGOUUBHCP-UHFFFAOYSA-N -1 1 274.345 3.070 20 0 CGADMM CCC[C@H](NC(=O)c1ccc([O-])cc1F)c1ccccn1 ZINC001565638495 960802418 /nfs/dbraw/zinc/80/24/18/960802418.db2.gz ADHHSHQUVLCJIR-HNNXBMFYSA-N -1 1 288.322 3.198 20 0 CGADMM CCC(CC)[C@@H](NC(=O)c1cnncc1[O-])c1ccccc1 ZINC001565884350 960856119 /nfs/dbraw/zinc/85/61/19/960856119.db2.gz OVZJUFHLWAMIGZ-MRXNPFEDSA-N -1 1 299.374 3.090 20 0 CGADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC001566247498 960907716 /nfs/dbraw/zinc/90/77/16/960907716.db2.gz LDGUVBGJMBZWGA-JSGCOSHPSA-N -1 1 297.395 3.325 20 0 CGADMM CC[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)[C@@H]1C ZINC001567819129 961432305 /nfs/dbraw/zinc/43/23/05/961432305.db2.gz WJUGOXMTCSKMBV-NXEZZACHSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ncccc1[O-] ZINC001568683137 961628735 /nfs/dbraw/zinc/62/87/35/961628735.db2.gz HDXXBURCKZNJDI-LSDHHAIUSA-N -1 1 296.370 3.243 20 0 CGADMM CC[C@H](NC(=O)c1cc(Cl)ccc1[O-])[C@@H]1CCCCO1 ZINC001583104839 962770255 /nfs/dbraw/zinc/77/02/55/962770255.db2.gz SIHAIWMFVBIXTH-JSGCOSHPSA-N -1 1 297.782 3.123 20 0 CGADMM CC(C)N(C(=O)c1ccc([O-])cc1F)C1CCCC1 ZINC001585365745 963007631 /nfs/dbraw/zinc/00/76/31/963007631.db2.gz LDTBJWWIXFEMIQ-UHFFFAOYSA-N -1 1 265.328 3.325 20 0 CGADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001585519335 963020588 /nfs/dbraw/zinc/02/05/88/963020588.db2.gz JRBQKKSXOHSVHD-YPMHNXCESA-N -1 1 279.355 3.476 20 0 CGADMM COc1cc(C(=O)[N-]c2cc(C(F)F)ccc2F)on1 ZINC001586696425 963128110 /nfs/dbraw/zinc/12/81/10/963128110.db2.gz HYWBNZNCZTUVPO-UHFFFAOYSA-N -1 1 286.209 3.012 20 0 CGADMM Cc1ccc(CC[C@H](C)NC(=O)c2cccc([O-])c2F)o1 ZINC001586848805 963142652 /nfs/dbraw/zinc/14/26/52/963142652.db2.gz NNNSEZSLUBBCDI-JTQLQIEISA-N -1 1 291.322 3.184 20 0 CGADMM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(F)c([O-])c1 ZINC001587023790 963166639 /nfs/dbraw/zinc/16/66/39/963166639.db2.gz XNKCMYFXDOARPC-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM COCc1ccc(C(=O)Nc2cccc(F)c2[O-])cc1F ZINC001587389547 963188775 /nfs/dbraw/zinc/18/87/75/963188775.db2.gz MYGXBCGINMQOJP-UHFFFAOYSA-N -1 1 293.269 3.069 20 0 CGADMM CCCCC[C@@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001588283524 963259661 /nfs/dbraw/zinc/25/96/61/963259661.db2.gz ZGOHMCXSKAWCGX-SNVBAGLBSA-N -1 1 253.317 3.230 20 0 CGADMM C/C(=C/C(=O)[O-])CN(C)[C@@H](C)c1nc2ccccc2s1 ZINC001588947118 963333995 /nfs/dbraw/zinc/33/39/95/963333995.db2.gz VUJSOJOFYKDYGM-IEHMKBBKSA-N -1 1 290.388 3.320 20 0 CGADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cn1 ZINC001589128439 963351550 /nfs/dbraw/zinc/35/15/50/963351550.db2.gz JUBZFVMCNBQQFE-JTQLQIEISA-N -1 1 290.750 3.284 20 0 CGADMM CC(C)c1[nH]c(CN2CCC[C@@H](CF)C2)cc1C(=O)[O-] ZINC001591912386 976344168 /nfs/dbraw/zinc/34/41/68/976344168.db2.gz LUXLHMCIZSDXOX-NSHDSACASA-N -1 1 282.359 3.018 20 0 CGADMM CC[C@H](NCc1cccc(F)n1)c1ccc(C(=O)[O-])cc1 ZINC001595300999 980436202 /nfs/dbraw/zinc/43/62/02/980436202.db2.gz VEQUOCXYSHOHDO-AWEZNQCLSA-N -1 1 288.322 3.160 20 0 CGADMM CC[C@H](Nc1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC001595319061 980505437 /nfs/dbraw/zinc/50/54/37/980505437.db2.gz XYYVWFPOPRTKLT-HNNXBMFYSA-N -1 1 276.380 3.342 20 0 CGADMM CC[C@H]1COC(C)(C)CN1Cc1ccc(C)c(C(=O)[O-])c1 ZINC001595497789 981258163 /nfs/dbraw/zinc/25/81/63/981258163.db2.gz IYMGWHYZJZBRAE-AWEZNQCLSA-N -1 1 291.391 3.083 20 0 CGADMM Cc1[nH]c(CN2C[C@@H](C)[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001599961848 985797076 /nfs/dbraw/zinc/79/70/76/985797076.db2.gz JSPXIYSFYJKPEP-BZNIZROVSA-N -1 1 284.359 3.214 20 0 CGADMM Cc1[nH]c(CN2C[C@H](C)[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001599961851 985797788 /nfs/dbraw/zinc/79/77/88/985797788.db2.gz JSPXIYSFYJKPEP-ZBEGNZNMSA-N -1 1 284.359 3.214 20 0 CGADMM Cc1[nH]c(CN(C)Cc2cccc(Cl)c2)cc1C(=O)[O-] ZINC001599963125 985834407 /nfs/dbraw/zinc/83/44/07/985834407.db2.gz XSTJKOMOXZXFPC-UHFFFAOYSA-N -1 1 292.766 3.307 20 0 CGADMM C[C@H]1Oc2ccccc2[C@@H]1NCc1cc(C(=O)[O-])cs1 ZINC001594655465 986891246 /nfs/dbraw/zinc/89/12/46/986891246.db2.gz RGZYZHPXXCRAHG-YMTOWFKASA-N -1 1 289.356 3.058 20 0 CGADMM CCS[C@@H]1CCCCN([C@@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001597258231 987266328 /nfs/dbraw/zinc/26/63/28/987266328.db2.gz ILTAXSLSDULRRJ-WDEREUQCSA-N -1 1 298.408 3.041 20 0 CGADMM CC[C@H](NCc1cc(C(=O)[O-])n(C)c1)c1ccccc1F ZINC001597349297 987484726 /nfs/dbraw/zinc/48/47/26/987484726.db2.gz DBVRWCMKAYJQAF-AWEZNQCLSA-N -1 1 290.338 3.103 20 0 CGADMM CCc1[nH]c(CN2Cc3ccccc3[C@H](C)C2)cc1C(=O)[O-] ZINC001597390564 987618006 /nfs/dbraw/zinc/61/80/06/987618006.db2.gz FUDVBUFGUGIFNN-GFCCVEGCSA-N -1 1 298.386 3.395 20 0 CGADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1cccc(O)c1 ZINC001599841266 988836286 /nfs/dbraw/zinc/83/62/86/988836286.db2.gz VQVULXWCQRHLGE-MEBBXXQBSA-N -1 1 289.306 3.008 20 0 CGADMM C[C@@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccccc1 ZINC001599841988 988856104 /nfs/dbraw/zinc/85/61/04/988856104.db2.gz WPOJWJSRJRIEIV-LLVKDONJSA-N -1 1 295.342 3.112 20 0 CGADMM COc1ccc(C(=O)[O-])cc1CN1C2CCCC1CCC2 ZINC001599498531 997064593 /nfs/dbraw/zinc/06/45/93/997064593.db2.gz CZMZDUOJMBWOIY-UHFFFAOYSA-N -1 1 289.375 3.300 20 0 CGADMM C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccoc1C(=O)[O-] ZINC001594215610 998829780 /nfs/dbraw/zinc/82/97/80/998829780.db2.gz SCJGXFVUESYDPH-WCBMZHEXSA-N -1 1 291.269 3.141 20 0 CGADMM C[C@H]1C[C@H](C)N1Cc1cc(C(=O)[O-])ccc1Cl ZINC001594233744 998891139 /nfs/dbraw/zinc/89/11/39/998891139.db2.gz ZWRMGEPCNJYYHO-IUCAKERBSA-N -1 1 253.729 3.021 20 0 CGADMM CCCC[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)C(C)C ZINC000621443179 349526751 /nfs/dbraw/zinc/52/67/51/349526751.db2.gz AUDVPVQDNLTNNQ-QMMMGPOBSA-N -1 1 292.305 3.224 20 0 CGADMM CSc1ccccc1[C@H](C)NC(=O)c1ncccc1[O-] ZINC000337542975 214148356 /nfs/dbraw/zinc/14/83/56/214148356.db2.gz KNHZUTGPKHNZCO-JTQLQIEISA-N -1 1 288.372 3.000 20 0 CGADMM CC(C)(O)C1CCC(C(=O)Nc2ccc(F)cc2[O-])CC1 ZINC000651586571 398256151 /nfs/dbraw/zinc/25/61/51/398256151.db2.gz FKOCSHQYIFLGKI-UHFFFAOYSA-N -1 1 295.354 3.047 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@@H]2CCCC(F)(F)C2)n1 ZINC000337779198 214257677 /nfs/dbraw/zinc/25/76/77/214257677.db2.gz ZXNBUXDLNLEWPD-MRVPVSSYSA-N -1 1 290.335 3.114 20 0 CGADMM CC[C@@H](CNC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000436942143 529487385 /nfs/dbraw/zinc/48/73/85/529487385.db2.gz AVYKZTUCOBVZGU-LBPRGKRZSA-N -1 1 287.334 3.455 20 0 CGADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1cscn1 ZINC000622748862 349699238 /nfs/dbraw/zinc/69/92/38/349699238.db2.gz MZJBUFOHIVBPKY-JTQLQIEISA-N -1 1 298.367 3.493 20 0 CGADMM CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000436832486 529566210 /nfs/dbraw/zinc/56/62/10/529566210.db2.gz VXTOAZNHERHVJE-VIFPVBQESA-N -1 1 281.661 3.116 20 0 CGADMM CCc1cccnc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436884879 529620099 /nfs/dbraw/zinc/62/00/99/529620099.db2.gz FNVFKIZYZOLNAK-UHFFFAOYSA-N -1 1 276.723 3.255 20 0 CGADMM Cc1ccc(CN[C@@](C)(CCc2ccccc2)C(=O)[O-])o1 ZINC000053043264 345113710 /nfs/dbraw/zinc/11/37/10/345113710.db2.gz RXQYLFUJMFPION-KRWDZBQOSA-N -1 1 287.359 3.154 20 0 CGADMM Cc1cc(C)c(CS(=O)(=O)c2ccc([O-])cc2)c(C)c1 ZINC000067488119 345322837 /nfs/dbraw/zinc/32/28/37/345322837.db2.gz MFRIRJNDRJXNJE-UHFFFAOYSA-N -1 1 290.384 3.291 20 0 CGADMM Cc1cccc(CN(C)Cc2cccc([O-])c2Cl)n1 ZINC000351643848 219159543 /nfs/dbraw/zinc/15/95/43/219159543.db2.gz JHWZGYSRADTWNX-UHFFFAOYSA-N -1 1 276.767 3.381 20 0 CGADMM COC[C@@H]([N-]c1nc(C(C)C)no1)c1ccc(F)c(F)c1 ZINC000091026531 345801185 /nfs/dbraw/zinc/80/11/85/345801185.db2.gz MZKSRJPSBUFGAI-GFCCVEGCSA-N -1 1 297.305 3.271 20 0 CGADMM C[C@@H](c1cccc(Cl)c1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133623 345805008 /nfs/dbraw/zinc/80/50/08/345805008.db2.gz LDSDATVUDCTTEZ-GWCFXTLKSA-N -1 1 299.823 3.293 20 0 CGADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1ccc(Cl)cc1Cl ZINC000092926698 345863740 /nfs/dbraw/zinc/86/37/40/345863740.db2.gz JMLWJTUHUHBVFE-LDYMZIIASA-N -1 1 288.174 3.288 20 0 CGADMM Cc1occc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000165730768 232262361 /nfs/dbraw/zinc/26/23/61/232262361.db2.gz PURFPZQFTJHYLT-UHFFFAOYSA-N -1 1 260.224 3.150 20 0 CGADMM O=C(NC[C@H]1Cc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000107287684 345934152 /nfs/dbraw/zinc/93/41/52/345934152.db2.gz VQVIZVQYCXWSQQ-LLVKDONJSA-N -1 1 287.746 3.115 20 0 CGADMM COc1ccccc1CN(C)Cc1ccc(C(=O)[O-])s1 ZINC000109601731 345943234 /nfs/dbraw/zinc/94/32/34/345943234.db2.gz KWFVCHJMAYYHFG-UHFFFAOYSA-N -1 1 291.372 3.087 20 0 CGADMM Cc1cccc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)n1 ZINC000140203816 346103619 /nfs/dbraw/zinc/10/36/19/346103619.db2.gz DVTQRVCJDSDJME-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(F)ccc2C)c1 ZINC000176674477 232342781 /nfs/dbraw/zinc/34/27/81/232342781.db2.gz CSXGEPZSTBCHMQ-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000232783647 346328228 /nfs/dbraw/zinc/32/82/28/346328228.db2.gz DRMMKVSYSJRQFP-OAHLLOKOSA-N -1 1 299.773 3.412 20 0 CGADMM C[C@@]12CCN(Cc3ccc(C(=O)[O-])cc3F)C[C@@H]1C2(F)F ZINC000584665859 346706351 /nfs/dbraw/zinc/70/63/51/346706351.db2.gz BPAAQJVHILCBCZ-GXTWGEPZSA-N -1 1 299.292 3.001 20 0 CGADMM CC(C)CSCCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000595280614 347286601 /nfs/dbraw/zinc/28/66/01/347286601.db2.gz PTZNCJHGVGHOOO-UHFFFAOYSA-N -1 1 293.432 3.480 20 0 CGADMM COc1cccc(CCC(=O)Nc2c([O-])cccc2F)c1 ZINC000605437098 348155428 /nfs/dbraw/zinc/15/54/28/348155428.db2.gz OKZSBXXPQLBRAK-UHFFFAOYSA-N -1 1 289.306 3.111 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc2ccccc2[nH]c1=O ZINC000608366421 348301263 /nfs/dbraw/zinc/30/12/63/348301263.db2.gz JZVLRPDZNKXLOS-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM C[C@@H](C(=O)Nc1c([O-])cccc1F)n1cnc2ccccc21 ZINC000608367029 348301449 /nfs/dbraw/zinc/30/14/49/348301449.db2.gz RSVPWKHTWUOPIM-JTQLQIEISA-N -1 1 299.305 3.081 20 0 CGADMM CCOc1cc(C(=O)Nc2c([O-])cccc2F)ccc1C ZINC000608366175 348301612 /nfs/dbraw/zinc/30/16/12/348301612.db2.gz FPDUZUHSUUEZQW-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM CC1(C)CCC[C@@](O)(C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000612759323 348544246 /nfs/dbraw/zinc/54/42/46/348544246.db2.gz IZHMWNWYWKKOLB-HNNXBMFYSA-N -1 1 297.782 3.315 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000612759595 348544643 /nfs/dbraw/zinc/54/46/43/348544643.db2.gz MEUSGLUQJPMDNM-IEBDPFPHSA-N -1 1 265.740 3.420 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C[C@@H](C)C1 ZINC000612851148 348550241 /nfs/dbraw/zinc/55/02/41/348550241.db2.gz NNESUZNRUWUSQK-OLZOCXBDSA-N -1 1 298.386 3.449 20 0 CGADMM Cc1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)o1 ZINC000614111550 348650288 /nfs/dbraw/zinc/65/02/88/348650288.db2.gz ZOECMKPNFKWTSQ-UHFFFAOYSA-N -1 1 260.680 3.145 20 0 CGADMM O=c1c2c([n-]n1CCc1ccccc1)CCCCC2 ZINC000614190073 348657340 /nfs/dbraw/zinc/65/73/40/348657340.db2.gz RIFSVMPGMMTUIY-AWEZNQCLSA-N -1 1 256.349 3.008 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)CC(C)(C)C1CCCCC1 ZINC000615222976 348725314 /nfs/dbraw/zinc/72/53/14/348725314.db2.gz VZIBVCSSZUMSPU-UHFFFAOYSA-N -1 1 279.384 3.359 20 0 CGADMM CCOc1cc(C(=O)N[C@@H](CC)C2CC2)cc(Cl)c1[O-] ZINC000618862276 349165465 /nfs/dbraw/zinc/16/54/65/349165465.db2.gz UFRGXFFPTLASQC-LBPRGKRZSA-N -1 1 297.782 3.363 20 0 CGADMM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000620577091 349388282 /nfs/dbraw/zinc/38/82/82/349388282.db2.gz NSVBWMJKLDKTAG-CMPLNLGQSA-N -1 1 265.328 3.325 20 0 CGADMM CSc1ccc([O-])c(-c2nc([C@H]3CC[C@@H](C)O3)no2)c1 ZINC000624686400 350084234 /nfs/dbraw/zinc/08/42/34/350084234.db2.gz ONOUNTJOBWXLJU-PRHODGIISA-N -1 1 292.360 3.404 20 0 CGADMM CC(C)CO[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000625227812 350144604 /nfs/dbraw/zinc/14/46/04/350144604.db2.gz OZTBZFQLUULRDR-CQSZACIVSA-N -1 1 283.799 3.293 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc(OC)c(C)c2)n1 ZINC000629175816 350663333 /nfs/dbraw/zinc/66/33/33/350663333.db2.gz QYPBTZDDPKXDEA-UHFFFAOYSA-N -1 1 290.388 3.354 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ncccc2Cl)n1 ZINC000629175106 350663414 /nfs/dbraw/zinc/66/34/14/350663414.db2.gz LEAHCQYFSJBLCX-UHFFFAOYSA-N -1 1 281.768 3.085 20 0 CGADMM C[C@@]1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC=CCC1 ZINC000629379533 350684947 /nfs/dbraw/zinc/68/49/47/350684947.db2.gz DVNZMTGNEFBLAU-QGZVFWFLSA-N -1 1 297.358 3.263 20 0 CGADMM CC[C@H](C)CCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380255 350685643 /nfs/dbraw/zinc/68/56/43/350685643.db2.gz JPJYYPGKDNYNOU-LBPRGKRZSA-N -1 1 287.363 3.343 20 0 CGADMM C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380096 350685853 /nfs/dbraw/zinc/68/58/53/350685853.db2.gz KEWOKOXNEVGTDE-DOMZBBRYSA-N -1 1 299.374 3.343 20 0 CGADMM CO[C@@H]1CCC[C@H]1Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024526 350927465 /nfs/dbraw/zinc/92/74/65/350927465.db2.gz VIEJJYRYTRBAMD-GHMZBOCLSA-N -1 1 280.393 3.028 20 0 CGADMM C[C@H]1CCCCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631309601 351022140 /nfs/dbraw/zinc/02/21/40/351022140.db2.gz OYRVXNZRWYFVAK-NSHDSACASA-N -1 1 281.783 3.379 20 0 CGADMM CC[C@H]1C[C@H](C)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631582428 351077112 /nfs/dbraw/zinc/07/71/12/351077112.db2.gz RLOSRQYPRNHZBF-JQWIXIFHSA-N -1 1 281.783 3.235 20 0 CGADMM CC[C@@H]1CCC[C@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631759574 351138311 /nfs/dbraw/zinc/13/83/11/351138311.db2.gz CCHBEWIYQOSCHJ-DGCLKSJQSA-N -1 1 281.783 3.283 20 0 CGADMM C[C@@H]1CC[C@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000632828386 351221017 /nfs/dbraw/zinc/22/10/17/351221017.db2.gz ZGLJZOMALUMDFW-PWSUYJOCSA-N -1 1 281.783 3.141 20 0 CGADMM CC(C)(C)C1CN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000633393790 351294053 /nfs/dbraw/zinc/29/40/53/351294053.db2.gz WMSQSEKKLKBDJK-UHFFFAOYSA-N -1 1 281.783 3.093 20 0 CGADMM CC(C)(NC(=O)Cc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000633396901 351294181 /nfs/dbraw/zinc/29/41/81/351294181.db2.gz RFZGBEREKWPGFA-UHFFFAOYSA-N -1 1 295.688 3.045 20 0 CGADMM Cc1[n-]n(-c2cccc(Br)c2)c(=O)c1C1CC1 ZINC000634585812 351524708 /nfs/dbraw/zinc/52/47/08/351524708.db2.gz SNWGGHISUFJRBZ-LBPRGKRZSA-N -1 1 293.164 3.198 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3nc4ccccc4s3)c(=O)c21 ZINC000634585524 351525540 /nfs/dbraw/zinc/52/55/40/351525540.db2.gz JGSRHUZNQKNAIA-QPUJVOFHSA-N -1 1 271.345 3.045 20 0 CGADMM Cc1[n-]n(-c2ccc(OC(F)(F)F)cc2)c(=O)c1C1CC1 ZINC000634587679 351526199 /nfs/dbraw/zinc/52/61/99/351526199.db2.gz VNFCGLGYNGRVSD-LBPRGKRZSA-N -1 1 298.264 3.334 20 0 CGADMM Cc1ccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)c(Cl)c1 ZINC000634593811 351529738 /nfs/dbraw/zinc/52/97/38/351529738.db2.gz AOGWQBFNTBXEAP-RNCFNFMXSA-N -1 1 262.740 3.397 20 0 CGADMM C[C@@H](c1ccccc1)n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634599484 351535549 /nfs/dbraw/zinc/53/55/49/351535549.db2.gz JNQAHHSQIHNTOD-DYEKYZERSA-N -1 1 256.349 3.382 20 0 CGADMM C[C@H]1CCc2[n-]n(CCCOc3ccccc3)c(=O)c2C1 ZINC000634603130 351537404 /nfs/dbraw/zinc/53/74/04/351537404.db2.gz PMODXHDWTSWSHC-ZFWWWQNUSA-N -1 1 286.375 3.090 20 0 CGADMM C[C@H](c1ccncc1)n1[n-]c2c(c1=O)CCCCCC2 ZINC000634626784 351550392 /nfs/dbraw/zinc/55/03/92/351550392.db2.gz LZMBZSQXSLFHPX-OCCSQVGLSA-N -1 1 271.364 3.311 20 0 CGADMM C[C@H](COc1ccccc1)n1[n-]c2c(c1=O)CCCCC2 ZINC000634629300 351551537 /nfs/dbraw/zinc/55/15/37/351551537.db2.gz QVDPKFNBGUFXGZ-UKRRQHHQSA-N -1 1 286.375 3.232 20 0 CGADMM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ncccc1[O-] ZINC000292545720 198328191 /nfs/dbraw/zinc/32/81/91/198328191.db2.gz DGXSYPQWTSPKOO-IPYPFGDCSA-N -1 1 296.370 3.194 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc2ccccc2[nH]1 ZINC000340328992 215541413 /nfs/dbraw/zinc/54/14/13/215541413.db2.gz DMGLQMHAXVDPLW-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM O=C(Nc1ccncc1[O-])c1cc(Cl)ccc1Cl ZINC000109889934 138362488 /nfs/dbraw/zinc/36/24/88/138362488.db2.gz IJJFXAJPNAMDTO-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(F)cc2)o1 ZINC000426765306 236313229 /nfs/dbraw/zinc/31/32/29/236313229.db2.gz MFSYJHRIBCEYPX-CYBMUJFWSA-N -1 1 277.295 3.033 20 0 CGADMM C[C@H](CSc1nc(C2CC2)cc(=O)[n-]1)C(F)(F)F ZINC000436255334 237057627 /nfs/dbraw/zinc/05/76/27/237057627.db2.gz XNMXTVSNKXCFCI-ZCFIWIBFSA-N -1 1 278.299 3.350 20 0 CGADMM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc(Cl)ccc1[O-] ZINC000436596849 237141270 /nfs/dbraw/zinc/14/12/70/237141270.db2.gz NVSJOUWUSDVELN-VNQPRFMTSA-N -1 1 299.757 3.114 20 0 CGADMM Cc1cccc([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)c1C ZINC000436698970 237162804 /nfs/dbraw/zinc/16/28/04/237162804.db2.gz ROWOXEIZOYDKEV-CYBMUJFWSA-N -1 1 297.354 3.069 20 0 CGADMM C[C@H](C[C@H]1CCCO1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436724146 237166116 /nfs/dbraw/zinc/16/61/16/237166116.db2.gz PIYSPSJOUBENSH-IUODEOHRSA-N -1 1 299.370 3.233 20 0 CGADMM COc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc(Cl)c1[O-] ZINC000335838026 212595659 /nfs/dbraw/zinc/59/56/59/212595659.db2.gz OLKTVPVPNAKNOX-AOOOYVTPSA-N -1 1 297.782 3.172 20 0 CGADMM O=C(c1ccc([O-])cc1F)N(Cc1cccs1)C1CC1 ZINC000181112586 189289034 /nfs/dbraw/zinc/28/90/34/189289034.db2.gz OADXMNJXPLFCQW-UHFFFAOYSA-N -1 1 291.347 3.398 20 0 CGADMM Cc1nc(-c2ccc(N3CC[C@H](C)[C@H]3C)nc2)[n-]c(=O)c1C ZINC000301505724 201034900 /nfs/dbraw/zinc/03/49/00/201034900.db2.gz ZPNZJRFGLUYPSR-GXFFZTMASA-N -1 1 298.390 3.096 20 0 CGADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(C(C)C)on1 ZINC000182833325 189336835 /nfs/dbraw/zinc/33/68/35/189336835.db2.gz PJDRUVSYRYIJQM-UHFFFAOYSA-N -1 1 275.308 3.224 20 0 CGADMM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000450976229 240175718 /nfs/dbraw/zinc/17/57/18/240175718.db2.gz YWTGQDDQHQQLLY-PSASIEDQSA-N -1 1 293.841 3.259 20 0 CGADMM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000450976230 240177620 /nfs/dbraw/zinc/17/76/20/240177620.db2.gz YWTGQDDQHQQLLY-SCZZXKLOSA-N -1 1 293.841 3.259 20 0 CGADMM CC(C)OC(C)(C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000453174764 240748742 /nfs/dbraw/zinc/74/87/42/240748742.db2.gz KDEVNYJYYCVTEN-UHFFFAOYSA-N -1 1 280.299 3.241 20 0 CGADMM Cc1cc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])cc2)on1 ZINC000455618423 241296531 /nfs/dbraw/zinc/29/65/31/241296531.db2.gz IUKVYBABNRRRRB-AWEZNQCLSA-N -1 1 286.331 3.018 20 0 CGADMM C[C@H](C1CC1)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000121570097 370874441 /nfs/dbraw/zinc/87/44/41/370874441.db2.gz SVICKMNNDYFYPX-MRVPVSSYSA-N -1 1 298.180 3.025 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000476247072 243001448 /nfs/dbraw/zinc/00/14/48/243001448.db2.gz CDCOQPGJQGRUSD-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])c1ccccc1 ZINC000477708254 243051817 /nfs/dbraw/zinc/05/18/17/243051817.db2.gz QZVIWHROSQUHNF-JTQLQIEISA-N -1 1 259.280 3.274 20 0 CGADMM COc1ccc(C(=O)Nc2ccccc2Cl)c([O-])c1 ZINC000019839558 368771848 /nfs/dbraw/zinc/77/18/48/368771848.db2.gz HMDDSFAHXUZPLG-UHFFFAOYSA-N -1 1 277.707 3.307 20 0 CGADMM CC(C)(C)CCNC(=O)c1cc(Cl)ccc1[O-] ZINC000031760436 368917674 /nfs/dbraw/zinc/91/76/74/368917674.db2.gz ZRHVWCIIMIYFGI-UHFFFAOYSA-N -1 1 255.745 3.212 20 0 CGADMM O=C([O-])c1ccoc1CN(Cc1cccs1)C1CC1 ZINC000042318618 369213604 /nfs/dbraw/zinc/21/36/04/369213604.db2.gz UDGKXJUWHKUBAM-UHFFFAOYSA-N -1 1 277.345 3.204 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC000048391912 369346422 /nfs/dbraw/zinc/34/64/22/369346422.db2.gz IQECWAWCPGKFCM-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM COc1ccnc2c(NC(=O)c3ccccc3[O-])cccc12 ZINC000537713570 376197035 /nfs/dbraw/zinc/19/70/35/376197035.db2.gz SPPLCNQIJSCCMP-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM C[C@@H]1C[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCC1=O ZINC000331667525 204057797 /nfs/dbraw/zinc/05/77/97/204057797.db2.gz NIVPUWJZVMUKAP-PSASIEDQSA-N -1 1 290.294 3.054 20 0 CGADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000132887047 371209979 /nfs/dbraw/zinc/20/99/79/371209979.db2.gz RFMFSGZTLXAZJZ-CQSZACIVSA-N -1 1 273.307 3.412 20 0 CGADMM CC1(C)C[C@H](NC(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000150930529 371549434 /nfs/dbraw/zinc/54/94/34/371549434.db2.gz FRZVFOIUVDOBLT-CYBMUJFWSA-N -1 1 299.370 3.233 20 0 CGADMM C[C@H](C1CCCCC1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000287984011 371723438 /nfs/dbraw/zinc/72/34/38/371723438.db2.gz WQGOQPAHRPGEOD-GFCCVEGCSA-N -1 1 289.375 3.002 20 0 CGADMM CCCCCc1nnc([N-]C(=O)c2coc(CC)n2)s1 ZINC000154488433 371850096 /nfs/dbraw/zinc/85/00/96/371850096.db2.gz IEKXFXRPNOFPNJ-UHFFFAOYSA-N -1 1 294.380 3.074 20 0 CGADMM C[C@H]([NH2+]Cc1cccc([O-])c1Cl)[C@H]1CCCCO1 ZINC000293323237 372354398 /nfs/dbraw/zinc/35/43/98/372354398.db2.gz RCSRAYUDXLAQKI-GXFFZTMASA-N -1 1 269.772 3.093 20 0 CGADMM COC[C@@H](NCc1cccc([O-])c1Cl)c1ccco1 ZINC000293487730 372394556 /nfs/dbraw/zinc/39/45/56/372394556.db2.gz GJDQVCVSFRECJF-LLVKDONJSA-N -1 1 281.739 3.116 20 0 CGADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436749440 372840668 /nfs/dbraw/zinc/84/06/68/372840668.db2.gz AXPHTWBGLYPDGO-RKDXNWHRSA-N -1 1 287.281 3.282 20 0 CGADMM COc1cc(C(=O)NC[C@@H](C)C(C)C)cc(Cl)c1[O-] ZINC000442976076 373137900 /nfs/dbraw/zinc/13/79/00/373137900.db2.gz LCAWEKLXEXHVFS-SECBINFHSA-N -1 1 285.771 3.076 20 0 CGADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000300423049 373634333 /nfs/dbraw/zinc/63/43/33/373634333.db2.gz XDPJXBXKHMQLAW-VWYCJHECSA-N -1 1 265.328 3.038 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1cnc2ccccc2n1 ZINC000179196460 373844985 /nfs/dbraw/zinc/84/49/85/373844985.db2.gz QYSISIAWPOZEHM-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM O=C(NCc1ccc(F)c(Cl)c1)c1ccc([O-])cc1F ZINC000181202170 374092909 /nfs/dbraw/zinc/09/29/09/374092909.db2.gz QNINGHVWBJVPFF-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(C(F)F)CC1 ZINC000307882615 374155051 /nfs/dbraw/zinc/15/50/51/374155051.db2.gz LVWKSSWDMHZNST-UHFFFAOYSA-N -1 1 289.709 3.163 20 0 CGADMM O=C(NCc1ccc(Cl)cn1)c1cc(Cl)ccc1[O-] ZINC000182157996 374228138 /nfs/dbraw/zinc/22/81/38/374228138.db2.gz MUSGTNNYHYJCNU-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM C[C@H]1CC[C@@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000311623431 374250117 /nfs/dbraw/zinc/25/01/17/374250117.db2.gz MPNFWBHTHPXQMN-HZMBPMFUSA-N -1 1 255.317 3.074 20 0 CGADMM O=C(NCc1ccc(Cl)cc1)c1c(F)ccc([O-])c1F ZINC000334144970 206073507 /nfs/dbraw/zinc/07/35/07/206073507.db2.gz WFWHWIYWOCDPFJ-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000185402508 374656311 /nfs/dbraw/zinc/65/63/11/374656311.db2.gz FCQKCDSPFVCVKA-ZJUUUORDSA-N -1 1 253.729 3.276 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CC12CCCC2 ZINC000335018813 375074228 /nfs/dbraw/zinc/07/42/28/375074228.db2.gz RTRYWQMPLRZBDY-QMMMGPOBSA-N -1 1 267.275 3.189 20 0 CGADMM CO[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CC[C@@H]1C ZINC000188003335 375136740 /nfs/dbraw/zinc/13/67/40/375136740.db2.gz KDJANVJRKKDLBY-BLLLJJGKSA-N -1 1 299.370 3.042 20 0 CGADMM CC(=O)c1ccc(C(=O)[N-]c2cc(F)cc(F)c2F)o1 ZINC000335123626 375150645 /nfs/dbraw/zinc/15/06/45/375150645.db2.gz NCGKZCOPZIIHKU-UHFFFAOYSA-N -1 1 283.205 3.152 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2ccc(F)cc2)n1 ZINC000188081276 375154117 /nfs/dbraw/zinc/15/41/17/375154117.db2.gz RPVHVVMCQAIFOD-VIFPVBQESA-N -1 1 278.352 3.325 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C1CCC(F)(F)CC1 ZINC000335220642 375239740 /nfs/dbraw/zinc/23/97/40/375239740.db2.gz WBMBLWVAMFNGAG-UHFFFAOYSA-N -1 1 291.244 3.434 20 0 CGADMM CO[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1C ZINC000335477708 375320391 /nfs/dbraw/zinc/32/03/91/375320391.db2.gz YGUGNWYBPKUURS-SJKOYZFVSA-N -1 1 299.370 3.042 20 0 CGADMM C[C@H]1CCSCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000190005179 375468768 /nfs/dbraw/zinc/46/87/68/375468768.db2.gz TZJHVNXTHKDYPC-VIFPVBQESA-N -1 1 285.796 3.013 20 0 CGADMM CC(C)C1(C)CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000190328305 375495133 /nfs/dbraw/zinc/49/51/33/375495133.db2.gz IVCUJUDTPMLWKQ-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM Cc1ccc([C@@H]2CCCCN2C(=O)c2ncccc2[O-])cc1 ZINC000127514768 542046198 /nfs/dbraw/zinc/04/61/98/542046198.db2.gz HQTCENYQXMVWTH-HNNXBMFYSA-N -1 1 296.370 3.463 20 0 CGADMM CC1(C)C[C@@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000226260330 376348196 /nfs/dbraw/zinc/34/81/96/376348196.db2.gz QTQJWZZYYPNREO-GFCCVEGCSA-N -1 1 269.344 3.321 20 0 CGADMM CC(C)c1nc(=NC[C@@]2(C)C[C@H]2c2ccccc2)o[n-]1 ZINC000338739800 376509987 /nfs/dbraw/zinc/50/99/87/376509987.db2.gz LIXIMVZMBGOEJA-XJKSGUPXSA-N -1 1 271.364 3.221 20 0 CGADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000231348290 376556216 /nfs/dbraw/zinc/55/62/16/376556216.db2.gz HZJOYSBWPIFEKU-BDAKNGLRSA-N -1 1 298.180 3.025 20 0 CGADMM CC1(C)CN(C(=O)c2cncc([O-])c2)C[C@@H]1c1ccccc1 ZINC000339960991 376880985 /nfs/dbraw/zinc/88/09/85/376880985.db2.gz ROUMYVSPBRRKBZ-MRXNPFEDSA-N -1 1 296.370 3.053 20 0 CGADMM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340328612 377004843 /nfs/dbraw/zinc/00/48/43/377004843.db2.gz IOPRYTGLJGCDRL-NSHDSACASA-N -1 1 289.306 3.185 20 0 CGADMM O=C(CCc1ccccc1)Nc1ccc(F)cc1[O-] ZINC000340329223 377005156 /nfs/dbraw/zinc/00/51/56/377005156.db2.gz LWMHUMFZCCPUAZ-UHFFFAOYSA-N -1 1 259.280 3.103 20 0 CGADMM CCN(Cc1ccccn1)C(=O)c1cc(Cl)ccc1[O-] ZINC000094590056 249040649 /nfs/dbraw/zinc/04/06/49/249040649.db2.gz LVXOLTSYLUQUMC-UHFFFAOYSA-N -1 1 290.750 3.103 20 0 CGADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1cc(F)cc(Cl)c1 ZINC000263054522 377916189 /nfs/dbraw/zinc/91/61/89/377916189.db2.gz LNTBPKNFZLZBTA-NOZJJQNGSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1cc(F)c(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)c(Cl)c1 ZINC000263109447 377919781 /nfs/dbraw/zinc/91/97/81/377919781.db2.gz YHZRKIWGWZKRDL-WDEREUQCSA-N -1 1 299.773 3.330 20 0 CGADMM C[C@@H](C(=O)[O-])N(C)Cc1ccc(F)c(Cl)c1Cl ZINC000263429368 377934889 /nfs/dbraw/zinc/93/48/89/377934889.db2.gz RPHSNMVDBRHPPU-LURJTMIESA-N -1 1 280.126 3.037 20 0 CGADMM C[C@H]([N-]C(=O)C(F)(F)F)C(C)(C)c1ccccc1 ZINC000264173847 377960874 /nfs/dbraw/zinc/96/08/74/377960874.db2.gz KDZNPVTVWSXXPM-VIFPVBQESA-N -1 1 259.271 3.031 20 0 CGADMM C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C(C)(C)C ZINC000575807950 377992311 /nfs/dbraw/zinc/99/23/11/377992311.db2.gz ALINNHCHONKOMC-SSDOTTSWSA-N -1 1 281.830 3.114 20 0 CGADMM CCCc1csc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000343881498 378122523 /nfs/dbraw/zinc/12/25/23/378122523.db2.gz YIKMSSQYKMAORQ-UHFFFAOYSA-N -1 1 298.314 3.332 20 0 CGADMM COc1cccc2c(C(=O)Nc3ccc(C)cc3F)n[nH]c21 ZINC000345112040 378197585 /nfs/dbraw/zinc/19/75/85/378197585.db2.gz IPUZAJJJFSJILQ-UHFFFAOYSA-N -1 1 299.305 3.271 20 0 CGADMM CC(C)CO[N-]C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000269653158 378248702 /nfs/dbraw/zinc/24/87/02/378248702.db2.gz NFTXDEJGNVQSED-SNVBAGLBSA-N -1 1 255.745 3.147 20 0 CGADMM CC1=CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000583268663 378316222 /nfs/dbraw/zinc/31/62/22/378316222.db2.gz RQYFHGQHQVGAID-UHFFFAOYSA-N -1 1 265.740 3.190 20 0 CGADMM CC[C@@H]1CC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)O1 ZINC000278263698 379329898 /nfs/dbraw/zinc/32/98/98/379329898.db2.gz UZVNFAMELAIGNL-SKDRFNHKSA-N -1 1 278.283 3.211 20 0 CGADMM CC[C@@H]1CC[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)O1 ZINC000278320854 379345765 /nfs/dbraw/zinc/34/57/65/379345765.db2.gz YXYCSBBZIWTJKA-SKDRFNHKSA-N -1 1 278.283 3.211 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CCCCO3)n2)c(Cl)c1 ZINC000278181695 379310490 /nfs/dbraw/zinc/31/04/90/379310490.db2.gz OJGWEYTWUFLYFB-LLVKDONJSA-N -1 1 280.711 3.337 20 0 CGADMM CN1C(=O)c2ccccc2N[C@@H]1c1cccc([O-])c1Cl ZINC000639406641 379367712 /nfs/dbraw/zinc/36/77/12/379367712.db2.gz BMXWQTZRNFEVKS-AWEZNQCLSA-N -1 1 288.734 3.242 20 0 CGADMM CCOc1cc(C(=O)N2CC[C@@H]2CC)cc(Cl)c1[O-] ZINC000347619897 218293735 /nfs/dbraw/zinc/29/37/35/218293735.db2.gz YVAAGLVHIFQOAH-JTQLQIEISA-N -1 1 283.755 3.069 20 0 CGADMM C[C@H]1COCC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350585542 379567115 /nfs/dbraw/zinc/56/71/15/379567115.db2.gz UBMIMLYGORAWPW-WCBMZHEXSA-N -1 1 294.738 3.236 20 0 CGADMM CC(C)[C@@H]1CCN(C(=O)N=c2[n-]sc3ccccc32)C1 ZINC000640342184 379771128 /nfs/dbraw/zinc/77/11/28/379771128.db2.gz MRVFQJFVMSHFLX-LLVKDONJSA-N -1 1 289.404 3.228 20 0 CGADMM O=C(N=c1[n-]sc2ccccc21)NCCC1(F)CCC1 ZINC000640338613 379771251 /nfs/dbraw/zinc/77/12/51/379771251.db2.gz FUHOCJZWXAXWCS-UHFFFAOYSA-N -1 1 293.367 3.122 20 0 CGADMM Cc1nocc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000640487994 379811267 /nfs/dbraw/zinc/81/12/67/379811267.db2.gz DQQVRVHCPRKQJV-UHFFFAOYSA-N -1 1 260.293 3.064 20 0 CGADMM CCCC[C@@H](C)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000643027247 380205638 /nfs/dbraw/zinc/20/56/38/380205638.db2.gz DUONIILJYPJGDW-SNVBAGLBSA-N -1 1 253.317 3.182 20 0 CGADMM CC(C)[C@@H]1C[C@@H](NC(=O)c2cncc([O-])c2)c2ccccc21 ZINC000355483265 380682319 /nfs/dbraw/zinc/68/23/19/380682319.db2.gz ZJJKGYSUDOXYLM-DLBZAZTESA-N -1 1 296.370 3.402 20 0 CGADMM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cncc([O-])c1 ZINC000288544156 197107891 /nfs/dbraw/zinc/10/78/91/197107891.db2.gz HSQVJRSEFFUDJB-DGCLKSJQSA-N -1 1 276.380 3.074 20 0 CGADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361386615 381727042 /nfs/dbraw/zinc/72/70/42/381727042.db2.gz MWGBQZIQLQHCJH-DYVFJYSZSA-N -1 1 299.374 3.403 20 0 CGADMM O=c1[nH]c([C@H]2CCCC(F)(F)C2)nc2cc(F)c([O-])cc12 ZINC000334946135 207337155 /nfs/dbraw/zinc/33/71/55/207337155.db2.gz RLNZNZQUUPFNJN-ZETCQYMHSA-N -1 1 298.264 3.061 20 0 CGADMM C[C@H](NC(=O)c1cc(Br)ccc1[O-])C1CCC1 ZINC000229823051 542302224 /nfs/dbraw/zinc/30/22/24/542302224.db2.gz GCFYWPSVUQVAGI-QMMMGPOBSA-N -1 1 298.180 3.073 20 0 CGADMM CSCCCN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000281060210 195088604 /nfs/dbraw/zinc/08/86/04/195088604.db2.gz HLLZBVPAZZMTAA-UHFFFAOYSA-N -1 1 289.400 3.371 20 0 CGADMM C[C@@H]1C[C@@H](C)[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)O1 ZINC000289067801 197226842 /nfs/dbraw/zinc/22/68/42/197226842.db2.gz MAYXOUVEKUVYMS-DNSOKLHBSA-N -1 1 278.283 3.067 20 0 CGADMM COC1(c2nc(-c3ccc([O-])cc3F)no2)CCCCC1 ZINC000289059248 197224404 /nfs/dbraw/zinc/22/44/04/197224404.db2.gz LKKAWIKUOZAORY-UHFFFAOYSA-N -1 1 292.310 3.387 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CCC[C@H]2C(C)(C)C)s[n-]1 ZINC000413569641 533121830 /nfs/dbraw/zinc/12/18/30/533121830.db2.gz FFIGYXHJFZHLFR-GMTAPVOTSA-N -1 1 283.441 3.294 20 0 CGADMM C[C@@H](Nc1ccnc2cc(C(F)(F)F)ccc21)C(=O)[O-] ZINC000347229921 542511757 /nfs/dbraw/zinc/51/17/57/542511757.db2.gz IYVPAKGAPFBBEM-SSDOTTSWSA-N -1 1 284.237 3.139 20 0 CGADMM C[C@H](OCC1CC1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350832428 542536212 /nfs/dbraw/zinc/53/62/12/542536212.db2.gz HOSGAFPZCJUVPD-QMMMGPOBSA-N -1 1 278.283 3.069 20 0 CGADMM CO[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@H](C)C1 ZINC000281674797 195330982 /nfs/dbraw/zinc/33/09/82/195330982.db2.gz DWXDHPDLSIEGLX-TZMCWYRMSA-N -1 1 299.370 3.185 20 0 CGADMM Cc1occc1CN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000048769727 392014570 /nfs/dbraw/zinc/01/45/70/392014570.db2.gz UMGMJDKRQAZMEE-UHFFFAOYSA-N -1 1 279.723 3.219 20 0 CGADMM O=C([O-])C[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000054300166 392090450 /nfs/dbraw/zinc/09/04/50/392090450.db2.gz ASZZJEZSAHPZHP-JTQLQIEISA-N -1 1 285.746 3.166 20 0 CGADMM CN(C[C@H]1CCCOC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000107065956 392315112 /nfs/dbraw/zinc/31/51/12/392315112.db2.gz WVLSQHUPTXCTQH-CYBMUJFWSA-N -1 1 299.370 3.044 20 0 CGADMM CCC(CC)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464398419 542697921 /nfs/dbraw/zinc/69/79/21/542697921.db2.gz ANWVGSPVVVDBDH-UHFFFAOYSA-N -1 1 293.791 3.194 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC(C2CCCCC2)C1 ZINC000647481273 392735152 /nfs/dbraw/zinc/73/51/52/392735152.db2.gz SPUDYDIXYBYDFZ-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM CO[C@H](C)c1nc(=NCCCC2CCCCC2)s[n-]1 ZINC000509663545 392766584 /nfs/dbraw/zinc/76/65/84/392766584.db2.gz KCCVWEQXMNQQSY-LLVKDONJSA-N -1 1 283.441 3.440 20 0 CGADMM COc1cc(C(=O)N[C@@H]2C[C@H]2CC(C)C)cc(Cl)c1[O-] ZINC000457988009 392810243 /nfs/dbraw/zinc/81/02/43/392810243.db2.gz IBQVKBDINCESMT-BXKDBHETSA-N -1 1 297.782 3.219 20 0 CGADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000648940518 393295743 /nfs/dbraw/zinc/29/57/43/393295743.db2.gz HRWLEGVHRSQAGU-NXEZZACHSA-N -1 1 251.301 3.152 20 0 CGADMM Cc1ccoc1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000646970110 393330337 /nfs/dbraw/zinc/33/03/37/393330337.db2.gz DRIYVBMJEPROBM-UHFFFAOYSA-N -1 1 299.248 3.242 20 0 CGADMM CCCc1sc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1CC ZINC000646409421 393280683 /nfs/dbraw/zinc/28/06/83/393280683.db2.gz IZYZLKXXFYUMJR-UHFFFAOYSA-N -1 1 293.392 3.252 20 0 CGADMM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2cncc([O-])c2)C1 ZINC000649066560 393342564 /nfs/dbraw/zinc/34/25/64/393342564.db2.gz JIUMJQHUSHPTIT-SWLSCSKDSA-N -1 1 288.391 3.076 20 0 CGADMM Cc1ccncc1/C=C/C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000492528182 393749519 /nfs/dbraw/zinc/74/95/19/393749519.db2.gz CUEIHHXQOGRQIZ-GORDUTHDSA-N -1 1 288.734 3.401 20 0 CGADMM [O-]c1ccc(-c2noc(CC3CCCC3)n2)c(F)c1 ZINC000445453655 393795557 /nfs/dbraw/zinc/79/55/57/393795557.db2.gz IUYGHNYIYUDRJE-UHFFFAOYSA-N -1 1 262.284 3.314 20 0 CGADMM CCC[C@@H](C)CC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000499749296 393805048 /nfs/dbraw/zinc/80/50/48/393805048.db2.gz KCPYIQRDWXDEPP-SNVBAGLBSA-N -1 1 277.393 3.325 20 0 CGADMM CCc1noc(C)c1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000445814682 393827701 /nfs/dbraw/zinc/82/77/01/393827701.db2.gz AWZWSEUCKZGPJW-UHFFFAOYSA-N -1 1 289.266 3.107 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])c(F)c1)[C@@H]1CC1(C)C ZINC000668029620 542960221 /nfs/dbraw/zinc/96/02/21/542960221.db2.gz AVZCDHZQYWLRPA-JQWIXIFHSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@@]1(C2CC2)CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000668464468 543016012 /nfs/dbraw/zinc/01/60/12/543016012.db2.gz YTDMVEDQZNBOOA-HNNXBMFYSA-N -1 1 281.783 3.047 20 0 CGADMM O=C(NCC1CC(c2ccccc2)C1)c1ccc([O-])c(F)c1 ZINC000670130039 543141720 /nfs/dbraw/zinc/14/17/20/543141720.db2.gz XGKRTWPMXHBFPM-UHFFFAOYSA-N -1 1 299.345 3.455 20 0 CGADMM Cc1ccc(Cn2[n-]c3c(c2=O)CCCCC3)cc1 ZINC000103463653 397648526 /nfs/dbraw/zinc/64/85/26/397648526.db2.gz MLJJETPSEUODMI-CQSZACIVSA-N -1 1 256.349 3.274 20 0 CGADMM C[C@H](c1cccs1)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762445 397642028 /nfs/dbraw/zinc/64/20/28/397642028.db2.gz ISURWDCYQUSCAZ-SNVBAGLBSA-N -1 1 276.361 3.034 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCC(C)C)c1 ZINC000744548913 572763218 /nfs/dbraw/zinc/76/32/18/572763218.db2.gz NNOZIIAJKDBJBB-UHFFFAOYSA-N -1 1 278.348 3.117 20 0 CGADMM Cc1csc([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000067867280 286976756 /nfs/dbraw/zinc/97/67/56/286976756.db2.gz LPOVAWCGAHTQOR-QMMMGPOBSA-N -1 1 296.779 3.302 20 0 CGADMM O=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1[O-] ZINC000077649373 287041327 /nfs/dbraw/zinc/04/13/27/287041327.db2.gz VQSPKSWKRVUPSG-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM COC(C)(C)c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000092141713 165283210 /nfs/dbraw/zinc/28/32/10/165283210.db2.gz WOOFBXUUKSIZNO-UHFFFAOYSA-N -1 1 284.315 3.477 20 0 CGADMM O=C(Nc1cccc2ccncc21)c1ccccc1[O-] ZINC000094820540 287122523 /nfs/dbraw/zinc/12/25/23/287122523.db2.gz WINMJERLRXOTPR-UHFFFAOYSA-N -1 1 264.284 3.193 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCCCCOC)n1 ZINC000116610196 287158359 /nfs/dbraw/zinc/15/83/59/287158359.db2.gz ZZFQJNHZKMXOGR-UHFFFAOYSA-N -1 1 270.398 3.044 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])C[C@@H](C)C1 ZINC000119330247 287168252 /nfs/dbraw/zinc/16/82/52/287168252.db2.gz KZJHVTNWNWKJQW-MNOVXSKESA-N -1 1 265.328 3.040 20 0 CGADMM Cc1cc(NC(=O)c2cc3ccccc3cc2[O-])no1 ZINC000035174954 172028124 /nfs/dbraw/zinc/02/81/24/172028124.db2.gz FSEJDPIMIBPMNF-UHFFFAOYSA-N -1 1 268.272 3.094 20 0 CGADMM O=C([O-])c1cccc(CNCc2ccccc2Cl)c1 ZINC000041626090 174585279 /nfs/dbraw/zinc/58/52/79/174585279.db2.gz SEKMAJMQHSJNRD-UHFFFAOYSA-N -1 1 275.735 3.328 20 0 CGADMM CC(C)CCN(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000128640642 287315412 /nfs/dbraw/zinc/31/54/12/287315412.db2.gz PSMASMAUPAMZRQ-UHFFFAOYSA-N -1 1 265.328 3.182 20 0 CGADMM C[C@]1(CNC(=O)c2ccc(Cl)cc2[O-])CCCS1 ZINC000129476893 287332834 /nfs/dbraw/zinc/33/28/34/287332834.db2.gz CWSNKBVTXVRDLD-CYBMUJFWSA-N -1 1 285.796 3.061 20 0 CGADMM CC[C@@H](Sc1ncc(C)c(=O)[n-]1)C(=O)c1ccccc1 ZINC000312513279 416533583 /nfs/dbraw/zinc/53/35/83/416533583.db2.gz HDSOLGSDXNAMPF-GFCCVEGCSA-N -1 1 288.372 3.244 20 0 CGADMM O=C([O-])[C@H]1CC12CCN(Cc1cc(Cl)ccc1F)CC2 ZINC000405366475 416557978 /nfs/dbraw/zinc/55/79/78/416557978.db2.gz KEQNORHFYGLMQM-GFCCVEGCSA-N -1 1 297.757 3.166 20 0 CGADMM O=C(/C=C/c1cncc(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000129651137 287336844 /nfs/dbraw/zinc/33/68/44/287336844.db2.gz VAXCXQARGVOAKO-DAFODLJHSA-N -1 1 292.697 3.232 20 0 CGADMM CCC[C@H]1C[C@@H](C(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679562088 543647116 /nfs/dbraw/zinc/64/71/16/543647116.db2.gz ZXYIHKBOHYUFOC-QWRGUYRKSA-N -1 1 281.327 3.065 20 0 CGADMM O=C(Nc1ccc2c(c1)CCC2)c1ccc([O-])c(F)c1 ZINC000681016174 543756588 /nfs/dbraw/zinc/75/65/88/543756588.db2.gz YDISWLAQLJTPLI-UHFFFAOYSA-N -1 1 271.291 3.272 20 0 CGADMM CN(C(=O)c1ccc([O-])c(F)c1)C1CCCCCC1 ZINC000681017138 543757572 /nfs/dbraw/zinc/75/75/72/543757572.db2.gz VSRSQUWYCMFCBX-UHFFFAOYSA-N -1 1 265.328 3.326 20 0 CGADMM O=C(NC1CC(c2ccccc2)C1)c1ccc([O-])c(F)c1 ZINC000681040345 543759432 /nfs/dbraw/zinc/75/94/32/543759432.db2.gz JGUVWPCHAIKDBW-UHFFFAOYSA-N -1 1 285.318 3.207 20 0 CGADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681053307 543761480 /nfs/dbraw/zinc/76/14/80/543761480.db2.gz UQJKXVJNMCIAJM-RYUDHWBXSA-N -1 1 287.334 3.453 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C[C@H]1C ZINC000681068506 543763207 /nfs/dbraw/zinc/76/32/07/543763207.db2.gz PRYLUWYKCLDDAM-CKYFFXLPSA-N -1 1 265.328 3.086 20 0 CGADMM CC[C@H]1c2ccccc2CCN1C(=O)c1ncc(C)cc1[O-] ZINC000681731383 543804658 /nfs/dbraw/zinc/80/46/58/543804658.db2.gz APZHDZHDYGQQCI-HNNXBMFYSA-N -1 1 296.370 3.245 20 0 CGADMM Cc1ccc(C)c(CN(C)C(=O)c2ccc([O-])c(F)c2)c1 ZINC000683253089 543906318 /nfs/dbraw/zinc/90/63/18/543906318.db2.gz RMPWLFVNYQSPDO-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM COc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000131914948 287392732 /nfs/dbraw/zinc/39/27/32/287392732.db2.gz FCUQITNLCYOTOW-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM O=c1cc(C2CC2)nc(S[C@@H]2CCCCCC2=O)[n-]1 ZINC000683454272 543915642 /nfs/dbraw/zinc/91/56/42/543915642.db2.gz GXZRYOLXLBOMFA-GFCCVEGCSA-N -1 1 278.377 3.054 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1coc(C2CCC2)n1 ZINC000683496053 543918189 /nfs/dbraw/zinc/91/81/89/543918189.db2.gz XXEYXJDEAKFDGJ-UHFFFAOYSA-N -1 1 276.267 3.039 20 0 CGADMM CC[C@H](C)[C@H](NC(=O)c1ccc([O-])c(F)c1)C(F)(F)F ZINC000683514961 543918955 /nfs/dbraw/zinc/91/89/55/543918955.db2.gz KUPAWDBDTJPZAQ-CPCISQLKSA-N -1 1 293.260 3.238 20 0 CGADMM O=C(NC1CCCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869158 544035287 /nfs/dbraw/zinc/03/52/87/544035287.db2.gz NPEVMDHIZBVEMH-UHFFFAOYSA-N -1 1 287.281 3.474 20 0 CGADMM Cc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)nc1 ZINC000685575177 544086665 /nfs/dbraw/zinc/08/66/65/544086665.db2.gz WAPIVHURUGNIBO-UHFFFAOYSA-N -1 1 283.303 3.116 20 0 CGADMM O=C(Nc1cc(F)c(F)c(F)c1)c1cc(F)ccc1[O-] ZINC000132890107 287412859 /nfs/dbraw/zinc/41/28/59/287412859.db2.gz DICVPXVFYLQHQH-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccoc1C(=O)[O-] ZINC000652385091 418960560 /nfs/dbraw/zinc/96/05/60/418960560.db2.gz BZBGVOLYFWOBJR-SECBINFHSA-N -1 1 295.285 3.449 20 0 CGADMM CCOC1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000652394284 418961421 /nfs/dbraw/zinc/96/14/21/418961421.db2.gz UWGSIFPHLRGYNH-UHFFFAOYSA-N -1 1 297.782 3.039 20 0 CGADMM CCN(Cc1ccoc1)Cc1ccsc1C(=O)[O-] ZINC000652408274 418962715 /nfs/dbraw/zinc/96/27/15/418962715.db2.gz SRCXYLRYBIROGK-UHFFFAOYSA-N -1 1 265.334 3.061 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC2(CC2(F)F)C1 ZINC000655191328 419030712 /nfs/dbraw/zinc/03/07/12/419030712.db2.gz BQVOPMDMQOXMRM-UHFFFAOYSA-N -1 1 289.281 3.027 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)[C@@H]1C(C)C ZINC000653956874 419119282 /nfs/dbraw/zinc/11/92/82/419119282.db2.gz SUWLTAGCGHUIFL-SWLSCSKDSA-N -1 1 279.355 3.284 20 0 CGADMM CCC[C@@H](NC(=O)c1ccc([O-])c(F)c1)C1CCC1 ZINC000655453046 419050817 /nfs/dbraw/zinc/05/08/17/419050817.db2.gz ZWMONBQUQCTNPW-CYBMUJFWSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)cn1 ZINC000655505262 419054640 /nfs/dbraw/zinc/05/46/40/419054640.db2.gz UOYPMBKXHHOXLS-UHFFFAOYSA-N -1 1 283.303 3.116 20 0 CGADMM CC(C)[C@H](CNc1ccnc2cc(F)ccc21)C(=O)[O-] ZINC000656091358 419138179 /nfs/dbraw/zinc/13/81/79/419138179.db2.gz AFRFBZLQUBOENV-LBPRGKRZSA-N -1 1 276.311 3.143 20 0 CGADMM Cc1ccc(O)c(CN2C[C@H](C)OC3(CCCCC3)C2)n1 ZINC000656280774 419166584 /nfs/dbraw/zinc/16/65/84/419166584.db2.gz JXNVZDKNJRZCNO-AWEZNQCLSA-N -1 1 290.407 3.019 20 0 CGADMM C[C@@H](C(=O)[O-])c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000657203416 419230873 /nfs/dbraw/zinc/23/08/73/419230873.db2.gz WCHQADSGAALDCK-RXMQYKEDSA-N -1 1 290.266 3.345 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000657256544 419237941 /nfs/dbraw/zinc/23/79/41/419237941.db2.gz GFTCFTPBBKXBGQ-MXWKQRLJSA-N -1 1 264.394 3.273 20 0 CGADMM CC[C@H](CSc1ncc(C)c(=O)[n-]1)CC(F)F ZINC000657261930 419239489 /nfs/dbraw/zinc/23/94/89/419239489.db2.gz YRUKANKWTZBGJQ-QMMMGPOBSA-N -1 1 262.325 3.264 20 0 CGADMM O=C(NC[C@@H]1CCCC1(F)F)c1ccc(Cl)cc1[O-] ZINC000391106586 262381477 /nfs/dbraw/zinc/38/14/77/262381477.db2.gz XAKHZNRVDWUDFA-QMMMGPOBSA-N -1 1 289.709 3.211 20 0 CGADMM C[C@H](CCc1ccco1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000042306576 270032039 /nfs/dbraw/zinc/03/20/39/270032039.db2.gz VIUPIPPVSFZKKR-SNVBAGLBSA-N -1 1 293.750 3.390 20 0 CGADMM O=C(NCC[C@H]1CC=CCC1)c1ccc([O-])cc1F ZINC000529865964 270190229 /nfs/dbraw/zinc/19/02/29/270190229.db2.gz DYXAMMFWMLQJLB-NSHDSACASA-N -1 1 263.312 3.008 20 0 CGADMM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531486508 270207327 /nfs/dbraw/zinc/20/73/27/270207327.db2.gz XTMHICODNJJLPH-YPMHNXCESA-N -1 1 293.388 3.290 20 0 CGADMM CC1(C)SC[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000393824199 288000879 /nfs/dbraw/zinc/00/08/79/288000879.db2.gz XQHUMKXDEOEXCS-ZDUSSCGKSA-N -1 1 287.384 3.169 20 0 CGADMM CC(C)c1nc(CN2CCCC[C@H]2CCC(=O)[O-])cs1 ZINC000050925739 278071361 /nfs/dbraw/zinc/07/13/61/278071361.db2.gz COAWMJNDLJGFIS-ZDUSSCGKSA-N -1 1 296.436 3.486 20 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290.750 3.064 20 0 CGADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(F)c2[O-])C1 ZINC000530004787 288281145 /nfs/dbraw/zinc/28/11/45/288281145.db2.gz GQIZVICUFQWPRA-GHMZBOCLSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@@H]1CC[C@@H](CC(=O)Nc2cccc(F)c2[O-])C1 ZINC000530006318 288281970 /nfs/dbraw/zinc/28/19/70/288281970.db2.gz RILDUHSTJDPOLZ-NXEZZACHSA-N -1 1 251.301 3.296 20 0 CGADMM Cc1ccc([C@H]2CCN(C(=O)c3cncc([O-])c3)C2)c(C)c1 ZINC000280743551 280999003 /nfs/dbraw/zinc/99/90/03/280999003.db2.gz ZYWJVPBZGGJQLS-AWEZNQCLSA-N -1 1 296.370 3.034 20 0 CGADMM CC[C@H]1CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000293827286 281100682 /nfs/dbraw/zinc/10/06/82/281100682.db2.gz AKLGDYLSYNEDLV-VIFPVBQESA-N -1 1 273.254 3.036 20 0 CGADMM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531549348 288338377 /nfs/dbraw/zinc/33/83/77/288338377.db2.gz HUDLRJBTDRONGT-DGCLKSJQSA-N -1 1 293.388 3.290 20 0 CGADMM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(F)cc1[O-] ZINC000532012743 288350025 /nfs/dbraw/zinc/35/00/25/288350025.db2.gz FAEJJHAMVLLAKO-SNVBAGLBSA-N -1 1 291.297 3.488 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCC2CCOCC2)n1 ZINC000549011980 289031292 /nfs/dbraw/zinc/03/12/92/289031292.db2.gz KXSHZZXONGQANP-UHFFFAOYSA-N -1 1 282.409 3.044 20 0 CGADMM Cc1cnc(C(=O)N2CCCC[C@H]2CC(C)C)c([O-])c1 ZINC000408371510 292872157 /nfs/dbraw/zinc/87/21/57/292872157.db2.gz BZXDEEHIHGYISR-ZDUSSCGKSA-N -1 1 276.380 3.136 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CCC[C@@H](C)CC2)s[n-]1 ZINC000336787551 294343146 /nfs/dbraw/zinc/34/31/46/294343146.db2.gz MDYCFNSSSFSVQC-GMTAPVOTSA-N -1 1 269.414 3.048 20 0 CGADMM COc1cc(C(=O)N2CCCCC[C@H]2C)cc(Cl)c1[O-] ZINC000442962575 294926668 /nfs/dbraw/zinc/92/66/68/294926668.db2.gz CLSNVGKZISAIEJ-SNVBAGLBSA-N -1 1 297.782 3.459 20 0 CGADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(F)c(Cl)c1)CC2 ZINC000405360129 321971277 /nfs/dbraw/zinc/97/12/77/321971277.db2.gz CEGCIUBBFKSUIR-LLVKDONJSA-N -1 1 297.757 3.166 20 0 CGADMM O=C(NC[C@H]1CC2CCC1CC2)c1c(F)ccc([O-])c1F ZINC000567354803 322160170 /nfs/dbraw/zinc/16/01/70/322160170.db2.gz NYTPDORLJKBNEB-VQXHTEKXSA-N -1 1 295.329 3.227 20 0 CGADMM CCC(C)(C)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000569185956 322238074 /nfs/dbraw/zinc/23/80/74/322238074.db2.gz QQKKDGQXGFGGAH-UHFFFAOYSA-N -1 1 281.377 3.147 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H](OC)c2ccccc2)n1 ZINC000572493286 322339986 /nfs/dbraw/zinc/33/99/86/322339986.db2.gz GTUGGSHFKNHVNN-CYBMUJFWSA-N -1 1 290.388 3.224 20 0 CGADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)C[C@@H](C)S1 ZINC000584118815 327042848 /nfs/dbraw/zinc/04/28/48/327042848.db2.gz MQYXOYUJVWZCAI-NXEZZACHSA-N -1 1 299.823 3.364 20 0 CGADMM Cc1cc(CN2Cc3ccccc3C[C@@H]2C)oc1C(=O)[O-] ZINC000583386671 327337631 /nfs/dbraw/zinc/33/76/31/327337631.db2.gz GZBKXUZRFSHNDY-LBPRGKRZSA-N -1 1 285.343 3.233 20 0 CGADMM Cc1cnc(SCCCCC(F)(F)F)[n-]c1=O ZINC000579614437 327396642 /nfs/dbraw/zinc/39/66/42/327396642.db2.gz CXNITCRGUHNBKG-UHFFFAOYSA-N -1 1 266.288 3.315 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc(C(C)(C)C)cs1 ZINC000397098186 329327703 /nfs/dbraw/zinc/32/77/03/329327703.db2.gz NDUDAQHRSVYBBX-WDEREUQCSA-N -1 1 296.436 3.126 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H]2CCC[C@H](C)C2)n1 ZINC000576692263 335234465 /nfs/dbraw/zinc/23/44/65/335234465.db2.gz RDCSEFBVZGMNCA-GXSJLCMTSA-N -1 1 252.383 3.415 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H]2CCC[C@H](C)C2)n1 ZINC000576692266 335234692 /nfs/dbraw/zinc/23/46/92/335234692.db2.gz RDCSEFBVZGMNCA-ONGXEEELSA-N -1 1 252.383 3.415 20 0 CGADMM CCc1ccc(CN(C)Cc2occc2C(=O)[O-])cc1 ZINC000577404121 335349153 /nfs/dbraw/zinc/34/91/53/335349153.db2.gz FEVNWSKZKFWUDL-UHFFFAOYSA-N -1 1 273.332 3.172 20 0 CGADMM CCC[C@H](C)S(=O)(=O)[N-]c1cc(C)n([C@H](C)CC)n1 ZINC000579237167 335725410 /nfs/dbraw/zinc/72/54/10/335725410.db2.gz WTYXQKFRVHMTLL-PWSUYJOCSA-N -1 1 287.429 3.093 20 0 CGADMM COc1cccc(CSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000579293814 335731734 /nfs/dbraw/zinc/73/17/34/335731734.db2.gz XGOVPDJSTDLHSK-UHFFFAOYSA-N -1 1 298.314 3.421 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])cc1F)C1CCCC1 ZINC000382873897 336098261 /nfs/dbraw/zinc/09/82/61/336098261.db2.gz JPQAGQYTKLRLMQ-AWEZNQCLSA-N -1 1 265.328 3.230 20 0 CGADMM O=C(NCC1CC(F)(F)C1)c1cc2ccccc2cc1[O-] ZINC000383242858 336106466 /nfs/dbraw/zinc/10/64/66/336106466.db2.gz VJYUBQQNPQJKFI-UHFFFAOYSA-N -1 1 291.297 3.321 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(F)c(F)c1 ZINC000163583104 533742353 /nfs/dbraw/zinc/74/23/53/533742353.db2.gz WSSSNTYDQSLRBY-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM C[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436723934 534209501 /nfs/dbraw/zinc/20/95/01/534209501.db2.gz OVFKJYWOSKKZAA-GXTWGEPZSA-N -1 1 299.370 3.233 20 0 CGADMM O=C(Nc1cccc(CO)c1)c1ccc2ccccc2c1[O-] ZINC000192705494 534343923 /nfs/dbraw/zinc/34/39/23/534343923.db2.gz UTKYLURVGVFWLW-UHFFFAOYSA-N -1 1 293.322 3.290 20 0 CGADMM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000339923168 519694917 /nfs/dbraw/zinc/69/49/17/519694917.db2.gz KZRVGXGDGXRGAJ-IUODEOHRSA-N -1 1 276.380 3.122 20 0 CGADMM Cc1nsc(C)c1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000436786140 534497576 /nfs/dbraw/zinc/49/75/76/534497576.db2.gz HJXROZQREMRYQQ-UHFFFAOYSA-N -1 1 291.307 3.322 20 0 CGADMM O=C([O-])[C@@H](NCc1cc(F)ccc1F)c1cccc(F)c1 ZINC000426805523 534516253 /nfs/dbraw/zinc/51/62/53/534516253.db2.gz CFUNMYABUIPBOW-AWEZNQCLSA-N -1 1 295.260 3.019 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N(CC1CC1)C1CCC1 ZINC000436935021 534660482 /nfs/dbraw/zinc/66/04/82/534660482.db2.gz ZBVQXRGMMMROBL-UHFFFAOYSA-N -1 1 279.767 3.450 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H]1c1ccccc1 ZINC000436527959 534667572 /nfs/dbraw/zinc/66/75/72/534667572.db2.gz JQPKDWVOOFBMEJ-AWEZNQCLSA-N -1 1 271.291 3.119 20 0 CGADMM Cn1ccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000436880595 534763279 /nfs/dbraw/zinc/76/32/79/534763279.db2.gz RXLAYQRGPZJRRI-GORDUTHDSA-N -1 1 285.278 3.090 20 0 CGADMM O=C(NC1(c2ccc(F)cc2)CC1)c1cc(F)ccc1[O-] ZINC000436569868 534784776 /nfs/dbraw/zinc/78/47/76/534784776.db2.gz JTBCQPSHHWBUCB-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM C=Cc1ccc(CCNC(=O)c2c([O-])cccc2F)cc1 ZINC000436638454 526272950 /nfs/dbraw/zinc/27/29/50/526272950.db2.gz DXLFCMGGXIOJEX-UHFFFAOYSA-N -1 1 285.318 3.147 20 0 CGADMM O=C([O-])[C@H](NCc1cc(Cl)ccc1F)c1ccccc1 ZINC000160808109 526313217 /nfs/dbraw/zinc/31/32/17/526313217.db2.gz JXBDGTVNAOSHCR-CQSZACIVSA-N -1 1 293.725 3.395 20 0 CGADMM CN(Cc1ccc2ccccc2c1)C(=O)c1cncc([O-])c1 ZINC000316045033 536473675 /nfs/dbraw/zinc/47/36/75/536473675.db2.gz NCMDZGPIQHQTNF-UHFFFAOYSA-N -1 1 292.338 3.213 20 0 CGADMM O=C(Nc1nc(-c2ccccc2)cs1)c1cncc([O-])c1 ZINC000111547062 527502347 /nfs/dbraw/zinc/50/23/47/527502347.db2.gz VQRZONPDXZHRMV-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM O=C(NCCCC(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000097989202 527635696 /nfs/dbraw/zinc/63/56/96/527635696.db2.gz UPYSVOKFLLPLDZ-UHFFFAOYSA-N -1 1 281.661 3.118 20 0 CGADMM CCC[C@H](CC(C)C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000449266950 528091315 /nfs/dbraw/zinc/09/13/15/528091315.db2.gz XUGBBPIMCUMNFV-MRVPVSSYSA-N -1 1 292.305 3.224 20 0 CGADMM CCCCC[C@@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436964188 528258384 /nfs/dbraw/zinc/25/83/84/528258384.db2.gz PRSRCGGNBDIJEL-CQSZACIVSA-N -1 1 289.375 3.146 20 0 CGADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ncc(C)cc1[O-] ZINC000358613938 529260639 /nfs/dbraw/zinc/26/06/39/529260639.db2.gz HRVXHOPTYPMWCA-AWEZNQCLSA-N -1 1 299.374 3.104 20 0 CGADMM CC(C)=CCC[N-]S(=O)(=O)c1sccc1Cl ZINC000451449977 535357540 /nfs/dbraw/zinc/35/75/40/535357540.db2.gz ALYSJBXFSPYVNE-UHFFFAOYSA-N -1 1 279.814 3.036 20 0 CGADMM CC(=O)c1cc(C(=O)Nc2cccc([O-])c2F)ccc1C ZINC000194427099 572358903 /nfs/dbraw/zinc/35/89/03/572358903.db2.gz GWGWHUIHZUGBPF-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM Cc1oc(CN2CCc3c(C)cccc3C2)cc1C(=O)[O-] ZINC000738746969 572391040 /nfs/dbraw/zinc/39/10/40/572391040.db2.gz AVYIRPHOZPNQTH-UHFFFAOYSA-N -1 1 285.343 3.153 20 0 CGADMM O=C(Nc1ccncc1[O-])c1ccc(-c2ccccc2)cc1 ZINC000731859691 572430176 /nfs/dbraw/zinc/43/01/76/572430176.db2.gz XKWFZANZJXYEAM-UHFFFAOYSA-N -1 1 290.322 3.128 20 0 CGADMM O=C(N[C@@H]1CCCC1(F)F)c1cc2ccccc2cc1[O-] ZINC000398224372 572499345 /nfs/dbraw/zinc/49/93/45/572499345.db2.gz FMUJITQUOLQLQH-CQSZACIVSA-N -1 1 291.297 3.463 20 0 CGADMM Cc1ccc([C@@H](C)C(=O)Nc2c([O-])cccc2F)o1 ZINC000743416163 572657860 /nfs/dbraw/zinc/65/78/60/572657860.db2.gz ONIZPJWNMYZQHM-SECBINFHSA-N -1 1 263.268 3.175 20 0 CGADMM CCCC(O)(CCC)CNC(=O)c1c([O-])cccc1Cl ZINC000743715414 572680265 /nfs/dbraw/zinc/68/02/65/572680265.db2.gz NZBZYHIMZLJRHW-UHFFFAOYSA-N -1 1 299.798 3.107 20 0 CGADMM C[C@H](c1c(F)cccc1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405368216 600307312 /nfs/dbraw/zinc/30/73/12/600307312.db2.gz WRQILZKGEFNOAL-MNOVXSKESA-N -1 1 295.329 3.213 20 0 CGADMM CN(Cc1ccc(Cl)nc1)Cc1cccc(C(=O)[O-])c1 ZINC000820602207 601005419 /nfs/dbraw/zinc/00/54/19/601005419.db2.gz NWBZFBHMULRXFL-UHFFFAOYSA-N -1 1 290.750 3.065 20 0 CGADMM C/C(=C/CN1CCc2cc(-c3ccccc3)oc2C1)C(=O)[O-] ZINC000825747268 601562813 /nfs/dbraw/zinc/56/28/13/601562813.db2.gz RJFUJWJXOAJWDV-QPEQYQDCSA-N -1 1 297.354 3.336 20 0 CGADMM C[C@@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824753086 607532042 /nfs/dbraw/zinc/53/20/42/607532042.db2.gz CAENYIHMEHNLGC-LLVKDONJSA-N -1 1 297.387 3.256 20 0 CGADMM C[C@@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824753086 607532043 /nfs/dbraw/zinc/53/20/43/607532043.db2.gz CAENYIHMEHNLGC-LLVKDONJSA-N -1 1 297.387 3.256 20 0 CGADMM Cc1ccc(C)c(SCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826285129 607540863 /nfs/dbraw/zinc/54/08/63/607540863.db2.gz PXJUBUSNEARMOQ-UHFFFAOYSA-N -1 1 297.387 3.171 20 0 CGADMM Cc1ccc(C)c(SCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826285129 607540864 /nfs/dbraw/zinc/54/08/64/607540864.db2.gz PXJUBUSNEARMOQ-UHFFFAOYSA-N -1 1 297.387 3.171 20 0 CGADMM C[C@H](c1ccccn1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000833548968 604564795 /nfs/dbraw/zinc/56/47/95/604564795.db2.gz IVHDFINEYUHGOH-SNVBAGLBSA-N -1 1 276.361 3.034 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])[nH]1)Cc1cc2ccccc2o1 ZINC000833696414 605111364 /nfs/dbraw/zinc/11/13/64/605111364.db2.gz LXXAOADAQXTEEJ-UHFFFAOYSA-N -1 1 284.315 3.091 20 0 CGADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccoc1C(=O)[O-] ZINC000833605209 605701441 /nfs/dbraw/zinc/70/14/41/605701441.db2.gz ILSSEAXVRGLIQG-PSASIEDQSA-N -1 1 291.269 3.141 20 0 CGADMM CC(C)c1cccc(Oc2cccc(-c3nnn[n-]3)n2)c1 ZINC000824352371 607894660 /nfs/dbraw/zinc/89/46/60/607894660.db2.gz BGODIRBBGQXDTR-UHFFFAOYSA-N -1 1 281.319 3.177 20 0 CGADMM CC(C)c1cccc(Oc2cccc(-c3nn[n-]n3)n2)c1 ZINC000824352371 607894661 /nfs/dbraw/zinc/89/46/61/607894661.db2.gz BGODIRBBGQXDTR-UHFFFAOYSA-N -1 1 281.319 3.177 20 0 CGADMM O=C([N-]CCCSCc1ccsc1)C(F)(F)F ZINC000901838111 621043513 /nfs/dbraw/zinc/04/35/13/621043513.db2.gz BNIOYJKPCJPOMU-UHFFFAOYSA-N -1 1 283.340 3.050 20 0 CGADMM CC[C@H](Nc1cc(Cl)[n-]c(=O)n1)[C@@H]1CC1(C)C ZINC000858572365 617626402 /nfs/dbraw/zinc/62/64/02/617626402.db2.gz NJRYUBJGMRXICF-YUMQZZPRSA-N -1 1 255.749 3.072 20 0 CGADMM CC(C)[S@@](C)(=O)=NC(=O)c1cc2sccc2c([O-])c1 ZINC000926058081 617951833 /nfs/dbraw/zinc/95/18/33/617951833.db2.gz KXKQSVMVECZLKF-LJQANCHMSA-N -1 1 297.401 3.253 20 0 CGADMM Cc1ccc2c(c1)CCN2C(=O)c1cc(F)ccc1[O-] ZINC000091103742 618481735 /nfs/dbraw/zinc/48/17/35/618481735.db2.gz OCHBTCSRPGTHRD-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM O=C(NNc1cccc(F)c1F)c1cc(Cl)ccc1[O-] ZINC000075164648 618746102 /nfs/dbraw/zinc/74/61/02/618746102.db2.gz NUMDSSICTSYRIC-UHFFFAOYSA-N -1 1 298.676 3.081 20 0 CGADMM O=C(OCc1ccc(CF)cc1)c1c([O-])cc(F)cc1F ZINC000777071154 619146919 /nfs/dbraw/zinc/14/69/19/619146919.db2.gz DRDNKWKJKQGGLC-UHFFFAOYSA-N -1 1 296.244 3.497 20 0 CGADMM CC(C)CCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000007154757 619649216 /nfs/dbraw/zinc/64/92/16/619649216.db2.gz RQWPJJDIKFQNBV-LCYFTJDESA-N -1 1 291.372 3.435 20 0 CGADMM Cc1cnc(SCC[C@H]2CCCC2(F)F)[n-]c1=O ZINC000882174316 619742090 /nfs/dbraw/zinc/74/20/90/619742090.db2.gz SVJCRISVXUHQAC-SECBINFHSA-N -1 1 274.336 3.408 20 0 CGADMM CCc1nsc([N-]c2cnn(C3CCCC3)c2)n1 ZINC000895887001 619902136 /nfs/dbraw/zinc/90/21/36/619902136.db2.gz GJFBXFVCKUHZQE-UHFFFAOYSA-N -1 1 263.370 3.156 20 0 CGADMM [O-]c1ccc(-c2noc(C3(C4CC4)CC3)n2)c(F)c1 ZINC000896219309 619969159 /nfs/dbraw/zinc/96/91/59/619969159.db2.gz ULQATVNDHAUTCF-UHFFFAOYSA-N -1 1 260.268 3.023 20 0 CGADMM O=C(C[C@@H]1CCCc2ccccc21)[N-]OCc1ccccn1 ZINC000909534001 620023432 /nfs/dbraw/zinc/02/34/32/620023432.db2.gz PXXVCNFCZUWCOF-HNNXBMFYSA-N -1 1 296.370 3.140 20 0 CGADMM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2)Cc2ccccc2O1 ZINC000263405504 620316992 /nfs/dbraw/zinc/31/69/92/620316992.db2.gz JPKGFMNZNRHBSV-CYBMUJFWSA-N -1 1 297.354 3.168 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1CCCC2(CC2)C1 ZINC000898577149 620597873 /nfs/dbraw/zinc/59/78/73/620597873.db2.gz WJYOMYCJGOVUGW-NSHDSACASA-N -1 1 263.312 3.206 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H]2CCCC3(CCC3)O2)n1 ZINC000901537416 620919018 /nfs/dbraw/zinc/91/90/18/620919018.db2.gz OFTFLZZOBHOOQH-GFCCVEGCSA-N -1 1 294.420 3.329 20 0 CGADMM Cc1cnc(SC2C[C@@H](C)C[C@H](C)C2)[n-]c1=O ZINC000901570383 620941926 /nfs/dbraw/zinc/94/19/26/620941926.db2.gz LRERKFMSCFFEGS-IUCAKERBSA-N -1 1 252.383 3.407 20 0 CGADMM Cc1cnc(S[C@H]2C[C@H](C)C[C@H](C)C2)[n-]c1=O ZINC000901570385 620942488 /nfs/dbraw/zinc/94/24/88/620942488.db2.gz LRERKFMSCFFEGS-JZYVYDRUSA-N -1 1 252.383 3.407 20 0 CGADMM O=c1cc(-c2ccccc2)nc(SCCOC2CC2)[n-]1 ZINC000901616134 620954141 /nfs/dbraw/zinc/95/41/41/620954141.db2.gz LEOIDLGTBBCMSK-UHFFFAOYSA-N -1 1 288.372 3.120 20 0 CGADMM Cc1ccc(CN[C@@H](CC2CCCCC2)C(=O)[O-])o1 ZINC000901771207 621019135 /nfs/dbraw/zinc/01/91/35/621019135.db2.gz BDYGFMSOEPCOAN-AWEZNQCLSA-N -1 1 265.353 3.101 20 0 CGADMM CC1(C)C[C@H](NCc2cc(C(=O)[O-])co2)c2ccccc21 ZINC000902263513 621216491 /nfs/dbraw/zinc/21/64/91/621216491.db2.gz ORGRHAPYSYTIJY-HNNXBMFYSA-N -1 1 285.343 3.490 20 0 CGADMM Cc1ccccc1C1(NCc2ccoc2C(=O)[O-])CC1 ZINC000902269083 621233982 /nfs/dbraw/zinc/23/39/82/621233982.db2.gz FGSPSPKCUXWUNX-UHFFFAOYSA-N -1 1 271.316 3.065 20 0 CGADMM CC(C)(F)CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902274303 621238185 /nfs/dbraw/zinc/23/81/85/621238185.db2.gz QIRQRCUQLSWBOV-UHFFFAOYSA-N -1 1 291.322 3.483 20 0 CGADMM Cc1ccc([C@H](C)[N@@H+](C)Cc2cc(C(=O)[O-])no2)c(C)c1 ZINC000902547814 621371448 /nfs/dbraw/zinc/37/14/48/621371448.db2.gz UHMRXNRRGYROOS-LBPRGKRZSA-N -1 1 288.347 3.183 20 0 CGADMM Cc1ccc([C@H](C)N(C)Cc2cc(C(=O)[O-])no2)c(C)c1 ZINC000902547814 621371453 /nfs/dbraw/zinc/37/14/53/621371453.db2.gz UHMRXNRRGYROOS-LBPRGKRZSA-N -1 1 288.347 3.183 20 0 CGADMM O=C([O-])c1ccc(CN[C@H]2C[C@@]2(F)c2ccccc2)s1 ZINC000903690282 621789267 /nfs/dbraw/zinc/78/92/67/621789267.db2.gz ATHNECFKPPQYSG-DZGCQCFKSA-N -1 1 291.347 3.173 20 0 CGADMM CCC[N@H+](CCC1(C(=O)[O-])CCC1)Cc1ccccc1[O-] ZINC000903697052 621791251 /nfs/dbraw/zinc/79/12/51/621791251.db2.gz PWSNIHBPTHIGKG-UHFFFAOYSA-N -1 1 291.391 3.249 20 0 CGADMM CCC[N@@H+](CCC1(C(=O)[O-])CCC1)Cc1ccccc1[O-] ZINC000903697052 621791252 /nfs/dbraw/zinc/79/12/52/621791252.db2.gz PWSNIHBPTHIGKG-UHFFFAOYSA-N -1 1 291.391 3.249 20 0 CGADMM CC(F)(F)CCCN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903928658 621834246 /nfs/dbraw/zinc/83/42/46/621834246.db2.gz WVBJBBLQMJGHLM-UHFFFAOYSA-N -1 1 299.317 3.015 20 0 CGADMM Cc1coc(CN[C@H](C(=O)[O-])C(C2CCC2)C2CCC2)c1 ZINC000904017493 621851369 /nfs/dbraw/zinc/85/13/69/621851369.db2.gz JGZCDFYLCRWDFW-INIZCTEOSA-N -1 1 291.391 3.347 20 0 CGADMM Cc1coc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000904046311 621858963 /nfs/dbraw/zinc/85/89/63/621858963.db2.gz ZEPUJLIQSJOEQT-OAHLLOKOSA-N -1 1 273.332 3.202 20 0 CGADMM O=C([O-])[C@@H](NCc1ccc(-c2ccccc2)o1)C1CCC1 ZINC000904047466 621862641 /nfs/dbraw/zinc/86/26/41/621862641.db2.gz DVBRPSCMDFPXFB-INIZCTEOSA-N -1 1 285.343 3.290 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CC=CCC1 ZINC000908713840 622369873 /nfs/dbraw/zinc/36/98/73/622369873.db2.gz DFAOBRYMQJFEBL-VIFPVBQESA-N -1 1 296.164 3.450 20 0 CGADMM CCS[C@H](C(=O)Nc1cc([O-])c(F)cc1F)C(C)C ZINC000909975530 622440391 /nfs/dbraw/zinc/44/03/91/622440391.db2.gz BDTZQLJNCQFKJP-LBPRGKRZSA-N -1 1 289.347 3.387 20 0 CGADMM CC/C(C)=C(/C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985585 622440778 /nfs/dbraw/zinc/44/07/78/622440778.db2.gz MJAAOIUKKSGYSZ-FPLPWBNLSA-N -1 1 255.264 3.355 20 0 CGADMM CCC(CC)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909984295 622442011 /nfs/dbraw/zinc/44/20/11/622442011.db2.gz LNIUGWYXIUNMRI-UHFFFAOYSA-N -1 1 257.280 3.435 20 0 CGADMM CC/C(C)=C(/C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910982033 622512671 /nfs/dbraw/zinc/51/26/71/622512671.db2.gz HQCZXEVXXAOFOR-FPLPWBNLSA-N -1 1 255.264 3.355 20 0 CGADMM C[C@@H](CC(=O)Nc1cc(F)cc(F)c1[O-])C1CC1 ZINC000910982757 622512965 /nfs/dbraw/zinc/51/29/65/622512965.db2.gz BGWPMHFSVFSEQL-ZETCQYMHSA-N -1 1 255.264 3.045 20 0 CGADMM O=C(CCCC1CCOCC1)Nc1cc(F)cc(F)c1[O-] ZINC000910992959 622514056 /nfs/dbraw/zinc/51/40/56/622514056.db2.gz PKWOLNXPVTWIJK-UHFFFAOYSA-N -1 1 299.317 3.206 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C1(C2CC2)CCC1 ZINC000910991378 622514140 /nfs/dbraw/zinc/51/41/40/622514140.db2.gz JBDJCINSHQHYMG-UHFFFAOYSA-N -1 1 267.275 3.189 20 0 CGADMM CC(C)(C(=O)Nc1cc(F)cc(F)c1[O-])C1CCOCC1 ZINC000910995681 622514277 /nfs/dbraw/zinc/51/42/77/622514277.db2.gz ZXBFEJAXYZFANZ-UHFFFAOYSA-N -1 1 299.317 3.062 20 0 CGADMM C[C@@H]1CCC[C@H](c2noc(-c3ccc(N)cc3[O-])n2)C1 ZINC000044977632 622832713 /nfs/dbraw/zinc/83/27/13/622832713.db2.gz RWNSTRXTPCYGGY-ZJUUUORDSA-N -1 1 273.336 3.318 20 0 CGADMM C[C@H]1CCC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000057307854 622869057 /nfs/dbraw/zinc/86/90/57/622869057.db2.gz KHSAULYWKOQQGE-UWVGGRQHSA-N -1 1 267.756 3.354 20 0 CGADMM O=C(NCCC1CCCC1)c1c([O-])cccc1Cl ZINC000057307553 622869363 /nfs/dbraw/zinc/86/93/63/622869363.db2.gz OBNRHNLSAJVQTK-UHFFFAOYSA-N -1 1 267.756 3.356 20 0 CGADMM CCCc1nnc(NCc2c([O-])ccc(Cl)c2F)o1 ZINC000191528876 622945039 /nfs/dbraw/zinc/94/50/39/622945039.db2.gz YJZUMYXGRJMXMD-UHFFFAOYSA-N -1 1 285.706 3.132 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000088431518 623447419 /nfs/dbraw/zinc/44/74/19/623447419.db2.gz NRCVVRWKUCZRMU-SNVBAGLBSA-N -1 1 291.269 3.061 20 0 CGADMM C=C/C=C\CCNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000914404951 623726988 /nfs/dbraw/zinc/72/69/88/623726988.db2.gz BYTISZJNLDLOBB-WAYWQWQTSA-N -1 1 295.766 3.306 20 0 CGADMM O=C1c2ccc([O-])cc2C/C1=C\c1cccnc1Cl ZINC000187222635 626173160 /nfs/dbraw/zinc/17/31/60/626173160.db2.gz QOIWGNIORPLBOI-IZZDOVSWSA-N -1 1 271.703 3.263 20 0 CGADMM CC[C@@H](CSc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000752528846 626431252 /nfs/dbraw/zinc/43/12/52/626431252.db2.gz XJWKLBHMDAWFEW-VIFPVBQESA-N -1 1 277.311 3.236 20 0 CGADMM CC[C@H](C)CCCCC(=O)[N-]OCC(F)(F)F ZINC000752580763 626432970 /nfs/dbraw/zinc/43/29/70/626432970.db2.gz PGTZYBDSKWVGSA-VIFPVBQESA-N -1 1 255.280 3.203 20 0 CGADMM C[C@]1(CNC(=O)c2c([O-])cccc2Cl)CCCS1 ZINC000759094329 626874033 /nfs/dbraw/zinc/87/40/33/626874033.db2.gz OQQGRQNQXTZTJK-CYBMUJFWSA-N -1 1 285.796 3.061 20 0 CGADMM O=C(/C=C/c1ccsc1)Nc1c([O-])cccc1F ZINC000762254938 627103445 /nfs/dbraw/zinc/10/34/45/627103445.db2.gz SEKCTQHPCROMPQ-SNAWJCMRSA-N -1 1 263.293 3.245 20 0 CGADMM CC(C)(C)c1ccc(CC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000765359618 627247129 /nfs/dbraw/zinc/24/71/29/627247129.db2.gz QBAMLEJTJQWMMK-INIZCTEOSA-N -1 1 291.391 3.101 20 0 CGADMM O=C(CC/C=C\c1ccccc1)[N-]OCC(F)(F)F ZINC000766777575 627360087 /nfs/dbraw/zinc/36/00/87/627360087.db2.gz WVKFMAJDNHNMST-YWEYNIOJSA-N -1 1 273.254 3.090 20 0 CGADMM C[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)C[C@H]1C ZINC000767152984 627385880 /nfs/dbraw/zinc/38/58/80/627385880.db2.gz JMDDEKHIDDMETM-NXEZZACHSA-N -1 1 267.756 3.164 20 0 CGADMM Cc1oc2ccccc2c1C[N-]C(=O)C(F)(F)C(F)F ZINC000767239389 627393587 /nfs/dbraw/zinc/39/35/87/627393587.db2.gz LQHWZWONCIHRNV-UHFFFAOYSA-N -1 1 289.228 3.258 20 0 CGADMM C[C@H](c1cccnc1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769729277 627574764 /nfs/dbraw/zinc/57/47/64/627574764.db2.gz UJCONALQBWBVRZ-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cccc(Cl)n3)n2)cc1F ZINC000771221038 627691183 /nfs/dbraw/zinc/69/11/83/627691183.db2.gz ANUOLVXSBGODLY-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM Cc1nc(SCc2ncc(C(C)C)o2)[n-]c(=O)c1C ZINC000776869866 628237998 /nfs/dbraw/zinc/23/79/98/628237998.db2.gz LGFCPZTZLQQDEQ-UHFFFAOYSA-N -1 1 279.365 3.203 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cc3ccccc3s2)S1 ZINC000874928877 634654265 /nfs/dbraw/zinc/65/42/65/634654265.db2.gz UFYVKAIXDMFURB-UXBLZVDNSA-N -1 1 261.327 3.225 20 0 CGADMM COCC1(N(C)C(=O)c2cc3ccccc3cc2[O-])CCC1 ZINC000874937108 634656473 /nfs/dbraw/zinc/65/64/73/634656473.db2.gz JJZNIYSVZHJXCR-UHFFFAOYSA-N -1 1 299.370 3.187 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(Cl)cc1 ZINC000789930155 629174710 /nfs/dbraw/zinc/17/47/10/629174710.db2.gz CGAYMGCXHZJYGU-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM CSC1(CNC(=O)c2c([O-])cccc2Cl)CCC1 ZINC000790078953 629182051 /nfs/dbraw/zinc/18/20/51/629182051.db2.gz CDXSZWXZFJJGRA-UHFFFAOYSA-N -1 1 285.796 3.061 20 0 CGADMM CC(C)(C(=O)Nc1cccc(F)c1[O-])C(C)(F)F ZINC000863008316 629459192 /nfs/dbraw/zinc/45/91/92/629459192.db2.gz NEVIFMDIOJGPKB-UHFFFAOYSA-N -1 1 261.243 3.151 20 0 CGADMM CC[C@H](C)CC[C@H](O)CC(=O)Nc1cccc(F)c1[O-] ZINC000863008609 629459436 /nfs/dbraw/zinc/45/94/36/629459436.db2.gz YKEDOQVHOIOZNP-QWRGUYRKSA-N -1 1 283.343 3.047 20 0 CGADMM C[C@H](Nc1cc(Cl)[n-]c(=O)n1)[C@]12C[C@H]1CCCC2 ZINC000864090891 629768069 /nfs/dbraw/zinc/76/80/69/629768069.db2.gz KUUQQLNDHFGCCS-RWEMILLDSA-N -1 1 267.760 3.216 20 0 CGADMM O=C(Nc1ccc2ccccc2c1)C(=O)c1ccc([O-])cc1 ZINC000798150660 630026443 /nfs/dbraw/zinc/02/64/43/630026443.db2.gz BMOYRFIHHFMLRM-UHFFFAOYSA-N -1 1 291.306 3.367 20 0 CGADMM CO[C@H](COC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000801852432 630360144 /nfs/dbraw/zinc/36/01/44/630360144.db2.gz BRCHIVMLRZEUBR-OAHLLOKOSA-N -1 1 290.290 3.076 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000836882460 634822325 /nfs/dbraw/zinc/82/23/25/634822325.db2.gz AAPHEPQVMAAEFX-XHDPSFHLSA-N -1 1 291.778 3.306 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCCC2(CC2)C1 ZINC000876395419 634826797 /nfs/dbraw/zinc/82/67/97/634826797.db2.gz IJSAGPHGLFQAON-UHFFFAOYSA-N -1 1 294.782 3.131 20 0 CGADMM CC(C)C(=O)c1ccc([C@@H](C)C(=O)[N-]OC2CCC2)cc1 ZINC000812788618 631309515 /nfs/dbraw/zinc/30/95/15/631309515.db2.gz RLLXYQHEBYSMSQ-GFCCVEGCSA-N -1 1 289.375 3.229 20 0 CGADMM CCC/C(C)=C\C(=O)Nc1ccc([O-])c(F)c1F ZINC000837087127 634852018 /nfs/dbraw/zinc/85/20/18/634852018.db2.gz AFPBAVNYELRNFM-FPLPWBNLSA-N -1 1 255.264 3.355 20 0 CGADMM Oc1ccc(F)c(C[N@H+]2CCC3(CCCC3)C2)c1F ZINC000816509495 631998024 /nfs/dbraw/zinc/99/80/24/631998024.db2.gz RZEQRKZLGCOYIE-UHFFFAOYSA-N -1 1 267.319 3.437 20 0 CGADMM CCN(CC)[C@H](C(=O)[N-]Oc1ccccc1)c1ccccc1 ZINC000816684880 632043126 /nfs/dbraw/zinc/04/31/26/632043126.db2.gz UTDMLOLXGHVWBN-KRWDZBQOSA-N -1 1 298.386 3.180 20 0 CGADMM CCCCOc1ccc(C(=O)NOC[C@@H](C)CC)c([O-])c1 ZINC000816977455 632067082 /nfs/dbraw/zinc/06/70/82/632067082.db2.gz ZJGXLMVJVTWVNP-LBPRGKRZSA-N -1 1 295.379 3.279 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1cn(C)c2ccccc12 ZINC000816977501 632067816 /nfs/dbraw/zinc/06/78/16/632067816.db2.gz AOKXWPGKIDHZGJ-OLZOCXBDSA-N -1 1 288.391 3.376 20 0 CGADMM CC(C(=O)Nc1ccc([O-])c(Cl)c1)=C1CCC1 ZINC000827506703 633495494 /nfs/dbraw/zinc/49/54/94/633495494.db2.gz YHCQXVFUPRIOFK-UHFFFAOYSA-N -1 1 251.713 3.485 20 0 CGADMM CO[C@@H]1CC[C@H](C)N(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000870707201 633631431 /nfs/dbraw/zinc/63/14/31/633631431.db2.gz FZAPAQYGUCIYAC-SWLSCSKDSA-N -1 1 299.370 3.185 20 0 CGADMM CCc1cc(=O)[n-]c(SCSC(C)(C)C)n1 ZINC000871666894 633817782 /nfs/dbraw/zinc/81/77/82/633817782.db2.gz VDAHXJGAIRBXDK-UHFFFAOYSA-N -1 1 258.412 3.326 20 0 CGADMM CC1(C)CCc2c([n-]n(CCc3ccccc3)c2=O)C1 ZINC000871946128 633922299 /nfs/dbraw/zinc/92/22/99/633922299.db2.gz LLTKEEFPFIRIPV-CQSZACIVSA-N -1 1 270.376 3.254 20 0 CGADMM CN(C)c1ccccc1Cn1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871947627 633922785 /nfs/dbraw/zinc/92/27/85/633922785.db2.gz GWIHLCAAHIUGPG-CQSZACIVSA-N -1 1 299.418 3.277 20 0 CGADMM CCc1[n-]n([C@@H](C)c2ccc(Cl)cc2)c(=O)c1F ZINC000871949695 633924198 /nfs/dbraw/zinc/92/41/98/633924198.db2.gz JRHHDIOVZPTQNS-QPUJVOFHSA-N -1 1 268.719 3.347 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H]1c1ccco1 ZINC000834818102 634246946 /nfs/dbraw/zinc/24/69/46/634246946.db2.gz GRYRXAJIYCCLFK-GHMZBOCLSA-N -1 1 291.734 3.059 20 0 CGADMM CC(C)C[C@@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825343 634249300 /nfs/dbraw/zinc/24/93/00/634249300.db2.gz KECYBQNWDUKRPS-SNVBAGLBSA-N -1 1 269.772 3.344 20 0 CGADMM CC/C(C)=C(/C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834826983 634249431 /nfs/dbraw/zinc/24/94/31/634249431.db2.gz VIHBIBMKAHKYER-KTKRTIGZSA-N -1 1 267.756 3.408 20 0 CGADMM C[C@H](C(=O)NCc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000834829331 634250484 /nfs/dbraw/zinc/25/04/84/634250484.db2.gz TUELHRMDYMBLPW-JTQLQIEISA-N -1 1 281.783 3.488 20 0 CGADMM CCO[C@@H](CC(=O)NCc1ccc([O-])c(Cl)c1)C(C)C ZINC000834829128 634250542 /nfs/dbraw/zinc/25/05/42/634250542.db2.gz LJBVZJFYWQPTAQ-AWEZNQCLSA-N -1 1 299.798 3.113 20 0 CGADMM Cc1ccc([C@@H](C)C(=O)NCc2ccc([O-])c(Cl)c2)o1 ZINC000834828964 634250676 /nfs/dbraw/zinc/25/06/76/634250676.db2.gz FSUAGFVENHYXJK-SNVBAGLBSA-N -1 1 293.750 3.367 20 0 CGADMM CC1(CNC(=O)c2c([O-])cccc2Cl)CC(F)(F)C1 ZINC000881524424 636130070 /nfs/dbraw/zinc/13/00/70/636130070.db2.gz ZXZQTYDSRIFKNW-UHFFFAOYSA-N -1 1 289.709 3.211 20 0 CGADMM Cc1oc(CN(C)Cc2ccc(CF)cc2)cc1C(=O)[O-] ZINC000846261993 636169272 /nfs/dbraw/zinc/16/92/72/636169272.db2.gz VSGDAKOHYYZCBQ-UHFFFAOYSA-N -1 1 291.322 3.388 20 0 CGADMM CC[C@@H]1COC(C)(C)CN1C(=O)c1c([O-])cccc1Cl ZINC000846372149 636179305 /nfs/dbraw/zinc/17/93/05/636179305.db2.gz ZTPBSMSLMHDRFC-SNVBAGLBSA-N -1 1 297.782 3.075 20 0 CGADMM CC(C)O[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000846365076 636179331 /nfs/dbraw/zinc/17/93/31/636179331.db2.gz CZGZUXXFKYHZPV-LLVKDONJSA-N -1 1 297.782 3.075 20 0 CGADMM CCc1nc(SCc2ncc(C)s2)[n-]c(=O)c1C ZINC000849921251 636908914 /nfs/dbraw/zinc/90/89/14/636908914.db2.gz IWVRWTJAHDOYOB-UHFFFAOYSA-N -1 1 281.406 3.110 20 0 CGADMM CC/C=C(/C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674748 637284046 /nfs/dbraw/zinc/28/40/46/637284046.db2.gz UDMJDUKBDDPPSQ-DAXSKMNVSA-N -1 1 257.692 3.480 20 0 CGADMM COCCC[C@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676676 637284620 /nfs/dbraw/zinc/28/46/20/637284620.db2.gz RNSCHWOIIBIOML-QMMMGPOBSA-N -1 1 289.734 3.186 20 0 CGADMM CCc1c(C(C)C)[n-]n([C@@H]2CC(C)(C)OC2(C)C)c1=O ZINC000887296798 637791891 /nfs/dbraw/zinc/79/18/91/637791891.db2.gz LQDWEYRAJSEBSS-NWDGAFQWSA-N -1 1 280.412 3.213 20 0 CGADMM CCc1[n-]n(-c2ccnc3cccnc32)c(=O)c1C(C)C ZINC000887294954 637792403 /nfs/dbraw/zinc/79/24/03/637792403.db2.gz RAEDADQEXZVFTG-CQSZACIVSA-N -1 1 282.347 3.015 20 0 CGADMM C[C@@H](C(=O)[N-]OCC1CCC1)c1ccc(Cl)cc1 ZINC000856342685 638344655 /nfs/dbraw/zinc/34/46/55/638344655.db2.gz XCBHBFDACNECEQ-SNVBAGLBSA-N -1 1 267.756 3.291 20 0 CGADMM CC(C)[C@@H]1CCC[C@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858391271 638702398 /nfs/dbraw/zinc/70/23/98/638702398.db2.gz BATDMXGLYFWLST-ZJUUUORDSA-N -1 1 269.776 3.462 20 0 CGADMM C[C@H]1CC(Nc2cc(Cl)[n-]c(=O)n2)C[C@H](C)C1 ZINC000858420405 638711018 /nfs/dbraw/zinc/71/10/18/638711018.db2.gz NFCLJGRIGUHLNF-HTQZYQBOSA-N -1 1 255.749 3.072 20 0 CGADMM CC[C@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCCC1 ZINC000858563871 638762673 /nfs/dbraw/zinc/76/26/73/638762673.db2.gz YNICDOLXNIWPHZ-VIFPVBQESA-N -1 1 255.749 3.216 20 0 CGADMM CC(C)[C@@H]1N(c2cc(Cl)[n-]c(=O)n2)CC12CC=CC2 ZINC000858602000 638999809 /nfs/dbraw/zinc/99/98/09/638999809.db2.gz NEKUFXUROOECIY-LBPRGKRZSA-N -1 1 279.771 3.017 20 0 CGADMM CC(C)(CCN(Cc1c(F)cccc1F)C1CC1)C(=O)[O-] ZINC000859798644 639218434 /nfs/dbraw/zinc/21/84/34/639218434.db2.gz FDJSFULXBZCXLY-UHFFFAOYSA-N -1 1 297.345 3.430 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000935021154 639732414 /nfs/dbraw/zinc/73/24/14/639732414.db2.gz PYFMPOFVPFGHOU-ILPMLJPZSA-N -1 1 277.751 3.276 20 0 CGADMM COCCOc1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000048638621 640064221 /nfs/dbraw/zinc/06/42/21/640064221.db2.gz AJKGJBCHFCGQOG-FLIBITNWSA-N -1 1 295.385 3.041 20 0 CGADMM CCn1cc(NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000191501289 640315945 /nfs/dbraw/zinc/31/59/45/640315945.db2.gz XQBYGCPZRWYOQF-UHFFFAOYSA-N -1 1 269.707 3.013 20 0 CGADMM Cc1nc(Cl)ccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000193195850 640440715 /nfs/dbraw/zinc/44/07/15/640440715.db2.gz RZXILQMCXHAHFN-UHFFFAOYSA-N -1 1 298.129 3.050 20 0 CGADMM CC(C)(NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000306002309 640909163 /nfs/dbraw/zinc/90/91/63/640909163.db2.gz IVEDHDZHJVFBRA-UHFFFAOYSA-N -1 1 259.305 3.003 20 0 CGADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2cccc([O-])c2F)C1 ZINC001155754930 805610112 /nfs/dbraw/zinc/61/01/12/805610112.db2.gz SIOJFDOYHZITJY-GHMZBOCLSA-N -1 1 265.328 3.040 20 0 CGADMM Cc1cc(-c2nccc(N3CCCC3)n2)cc(Cl)c1[O-] ZINC001250501944 805659505 /nfs/dbraw/zinc/65/95/05/805659505.db2.gz NFKAEYIZMHFSSQ-UHFFFAOYSA-N -1 1 289.766 3.411 20 0 CGADMM COC(C)(C)[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC001156345222 805676345 /nfs/dbraw/zinc/67/63/45/805676345.db2.gz SFQKGPIMGYINTA-NSHDSACASA-N -1 1 287.359 3.089 20 0 CGADMM CCOc1ccc2[nH]c(-c3c([O-])cccc3F)nc2c1 ZINC001250673762 805753706 /nfs/dbraw/zinc/75/37/06/805753706.db2.gz FONCRSLURGSGST-UHFFFAOYSA-N -1 1 272.279 3.473 20 0 CGADMM CC(=O)c1ccc2[nH]c(-c3ccc([O-])c(F)c3F)nc2c1 ZINC001250912732 805798051 /nfs/dbraw/zinc/79/80/51/805798051.db2.gz KPDWFCBIWZWXMK-UHFFFAOYSA-N -1 1 288.253 3.416 20 0 CGADMM Cc1ccc2nc(-c3ccc(C(=O)[O-])o3)[nH]c2c1C ZINC001250922606 805798614 /nfs/dbraw/zinc/79/86/14/805798614.db2.gz MWAOZYSZJLDHJW-UHFFFAOYSA-N -1 1 256.261 3.138 20 0 CGADMM [O-]c1ccc(F)c(F)c1-c1nc2c(ccc(F)c2F)[nH]1 ZINC001251319138 805880919 /nfs/dbraw/zinc/88/09/19/805880919.db2.gz PCZONTGJGPHXIX-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM CN(C)c1ccc2[nH]c(-c3c(F)ccc([O-])c3F)nc2c1 ZINC001251335821 805884335 /nfs/dbraw/zinc/88/43/35/805884335.db2.gz RWDSFODVMLNISH-UHFFFAOYSA-N -1 1 289.285 3.280 20 0 CGADMM COc1ccc(-c2nnc(-c3ccc(OC)cc3[O-])o2)cc1 ZINC001251955031 805956101 /nfs/dbraw/zinc/95/61/01/805956101.db2.gz NSWSDNRAMCSMLG-UHFFFAOYSA-N -1 1 298.298 3.126 20 0 CGADMM C=Cc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC001252190718 806028843 /nfs/dbraw/zinc/02/88/43/806028843.db2.gz VRJWZQODMOEKPY-UHFFFAOYSA-N -1 1 273.357 3.439 20 0 CGADMM COc1c(Cl)cc(Cl)cc1[N-]S(=O)(=O)C(C)C ZINC001252529984 806056822 /nfs/dbraw/zinc/05/68/22/806056822.db2.gz PKHUQMWCEDNDGO-UHFFFAOYSA-N -1 1 298.191 3.152 20 0 CGADMM [O-]c1ccc(Cc2nnc(C3CC3)o2)cc1Br ZINC001254077585 806338311 /nfs/dbraw/zinc/33/83/11/806338311.db2.gz GUBOVFDRPVIWOE-UHFFFAOYSA-N -1 1 295.136 3.006 20 0 CGADMM O=C(Cc1cccc2cnccc21)Nc1ccc(F)cc1[O-] ZINC001161046308 806341525 /nfs/dbraw/zinc/34/15/25/806341525.db2.gz JIOUCHPMNKHYCZ-UHFFFAOYSA-N -1 1 296.301 3.261 20 0 CGADMM C[C@@H](CC(=O)Nc1cc(F)cc(F)c1[O-])n1cccc1 ZINC001162293010 806549355 /nfs/dbraw/zinc/54/93/55/806549355.db2.gz VTUVVKIRHZLRLO-VIFPVBQESA-N -1 1 280.274 3.062 20 0 CGADMM CCc1nnc(-c2cc(Br)c(C)cc2[O-])o1 ZINC001255144426 806553786 /nfs/dbraw/zinc/55/37/86/806553786.db2.gz CPZONORBSYAOQN-UHFFFAOYSA-N -1 1 283.125 3.076 20 0 CGADMM CCC[C@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000396780483 799509875 /nfs/dbraw/zinc/50/98/75/799509875.db2.gz HBOCOKUCKHZYPO-NSHDSACASA-N -1 1 267.756 3.450 20 0 CGADMM C[C@H](CCC1CC1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000398178054 799528124 /nfs/dbraw/zinc/52/81/24/799528124.db2.gz NBQBHTBCDRVUPA-SECBINFHSA-N -1 1 267.756 3.354 20 0 CGADMM COc1cccc([O-])c1C(=O)N1C[C@H](C)c2ccccc21 ZINC000405224407 799583074 /nfs/dbraw/zinc/58/30/74/799583074.db2.gz NVJBSCUGVMGOQK-NSHDSACASA-N -1 1 283.327 3.165 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@](C)(C(F)(F)F)C1 ZINC000708929723 800001392 /nfs/dbraw/zinc/00/13/92/800001392.db2.gz UVSUDYMHXJHJIF-LBPRGKRZSA-N -1 1 291.269 3.061 20 0 CGADMM CCCCCc1nnc(-c2ccc([O-])c(F)c2)o1 ZINC001256136210 806831744 /nfs/dbraw/zinc/83/17/44/806831744.db2.gz GSHMMPHGQTXYPF-UHFFFAOYSA-N -1 1 250.273 3.314 20 0 CGADMM O=C(C[C@@H]1C=CCC1)NCc1ccc([O-])c(Cl)c1 ZINC001119113737 802632644 /nfs/dbraw/zinc/63/26/44/802632644.db2.gz AHJDQMMKESARAM-SNVBAGLBSA-N -1 1 265.740 3.018 20 0 CGADMM C[S@](=O)c1ccccc1-c1cc(F)c([O-])c(F)c1 ZINC001244094854 803182186 /nfs/dbraw/zinc/18/21/86/803182186.db2.gz WITKJIDDEVFHQW-SFHVURJKSA-N -1 1 268.284 3.075 20 0 CGADMM O=c1ccc(-c2cc(F)c([O-])c(F)c2)cn1C1CCC1 ZINC001244095272 803183053 /nfs/dbraw/zinc/18/30/53/803183053.db2.gz FRSVRSXHJPVZHU-UHFFFAOYSA-N -1 1 277.270 3.224 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3c(c2)CCOC3)cc1F ZINC001244096919 803185715 /nfs/dbraw/zinc/18/57/15/803185715.db2.gz POLXCWDXWLYVFD-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM Cc1cc2c(cc1-c1cc(F)c([O-])c(F)c1)CC(=O)N2 ZINC001244098288 803186319 /nfs/dbraw/zinc/18/63/19/803186319.db2.gz XDYHWMIMSJBUJK-UHFFFAOYSA-N -1 1 275.254 3.140 20 0 CGADMM Cc1cc(-c2cc(C(N)=S)ccn2)cc(Cl)c1[O-] ZINC001244536956 803423958 /nfs/dbraw/zinc/42/39/58/803423958.db2.gz RFSLFNYUIWSTNZ-UHFFFAOYSA-N -1 1 278.764 3.050 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccc3nccnc3n2)c1F ZINC001244537964 803424979 /nfs/dbraw/zinc/42/49/79/803424979.db2.gz HSVYRGFANFCIHY-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM CCc1cncnc1-c1c(Cl)ccc([O-])c1F ZINC001244537359 803425663 /nfs/dbraw/zinc/42/56/63/803425663.db2.gz CTBOTEDGFIVVAY-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM CCOc1cc(C)nc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244537836 803425677 /nfs/dbraw/zinc/42/56/77/803425677.db2.gz GRNMRDOIKAZRGS-UHFFFAOYSA-N -1 1 282.702 3.349 20 0 CGADMM Cc1cn2cc(-c3cc(C)c([O-])c(Cl)c3)ncc2n1 ZINC001244538617 803426265 /nfs/dbraw/zinc/42/62/65/803426265.db2.gz VBPXDZOLFITTRF-UHFFFAOYSA-N -1 1 273.723 3.372 20 0 CGADMM CCOc1cnc(-c2c(Cl)ccc([O-])c2F)nc1 ZINC001244538441 803426435 /nfs/dbraw/zinc/42/64/35/803426435.db2.gz NRKUUEADHSXGKB-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM O=C1NCc2cc(-c3c(Cl)ccc([O-])c3F)ccc2N1 ZINC001244541550 803429909 /nfs/dbraw/zinc/42/99/09/803429909.db2.gz CNDAPVGOXUJQCH-UHFFFAOYSA-N -1 1 292.697 3.487 20 0 CGADMM CCOc1cnc(-c2cc(C)c([O-])c(Cl)c2)cn1 ZINC001244550824 803433861 /nfs/dbraw/zinc/43/38/61/803433861.db2.gz OBXPLSKRJPPBMC-UHFFFAOYSA-N -1 1 264.712 3.210 20 0 CGADMM Nc1ccc(F)c(Nc2ccc(F)c(F)c2[O-])c1 ZINC001211840502 814947951 /nfs/dbraw/zinc/94/79/51/814947951.db2.gz ZORNQQVQJFGRPG-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM CN(Cc1ccccc1Cl)C(=O)c1cccc([O-])c1F ZINC001135421670 803595967 /nfs/dbraw/zinc/59/59/67/803595967.db2.gz QMIFIRNUOVNGKA-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ccc(C)cc2O)c1 ZINC001135745492 803611719 /nfs/dbraw/zinc/61/17/19/803611719.db2.gz XLZRCQVTXUSIHL-UHFFFAOYSA-N -1 1 289.356 3.380 20 0 CGADMM COc1cc(OC)nc(-c2cc(Cl)ccc2[O-])c1 ZINC001245048514 803621259 /nfs/dbraw/zinc/62/12/59/803621259.db2.gz DCWGOUPFWQXXBL-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM Cc1cc(-c2cc(Cl)ccc2[O-])nc(-c2ncccn2)n1 ZINC001245049334 803621862 /nfs/dbraw/zinc/62/18/62/803621862.db2.gz JJEKBXOMWFRIGB-UHFFFAOYSA-N -1 1 298.733 3.268 20 0 CGADMM Cc1occc1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001136488234 803645074 /nfs/dbraw/zinc/64/50/74/803645074.db2.gz JCRWYBJJXVYDMH-UHFFFAOYSA-N -1 1 297.310 3.082 20 0 CGADMM CC(C)(C)[C@H](NC(=O)c1cccc([O-])c1F)C(F)(F)F ZINC001136907006 803659906 /nfs/dbraw/zinc/65/99/06/803659906.db2.gz BSFIUXXKMFVSEK-NSHDSACASA-N -1 1 293.260 3.238 20 0 CGADMM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001136967047 803663289 /nfs/dbraw/zinc/66/32/89/803663289.db2.gz QXWRWNKNOSHEEG-UWVGGRQHSA-N -1 1 253.317 3.086 20 0 CGADMM Cc1nc2cccc(-c3cc(CC(=O)[O-])ccc3F)c2[nH]1 ZINC001245318230 803699922 /nfs/dbraw/zinc/69/99/22/803699922.db2.gz BVDZPHQQBJTKTM-UHFFFAOYSA-N -1 1 284.290 3.305 20 0 CGADMM CC1=CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001138025855 803829201 /nfs/dbraw/zinc/82/92/01/803829201.db2.gz WMJGKDDKGUNDNE-UHFFFAOYSA-N -1 1 285.265 3.203 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc3ncccc3n2)c1Cl ZINC001245826139 803980769 /nfs/dbraw/zinc/98/07/69/803980769.db2.gz DRJVETDFHQGKGK-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM Cc1ncnc(-c2c(F)ccc([O-])c2Cl)c1F ZINC001245826974 803981367 /nfs/dbraw/zinc/98/13/67/803981367.db2.gz JJHMNURDTFXRLD-UHFFFAOYSA-N -1 1 256.639 3.089 20 0 CGADMM Cc1c[nH]c2ncnc(-c3c(F)ccc([O-])c3Cl)c12 ZINC001245828721 803982702 /nfs/dbraw/zinc/98/27/02/803982702.db2.gz VEBJMOOESNLPSJ-UHFFFAOYSA-N -1 1 277.686 3.383 20 0 CGADMM CCc1ncnc(-c2c(F)ccc([O-])c2Cl)c1F ZINC001245827612 803983147 /nfs/dbraw/zinc/98/31/47/803983147.db2.gz NWPIEAHIECTJKD-UHFFFAOYSA-N -1 1 270.666 3.343 20 0 CGADMM COC(=O)c1nc(-c2c(F)ccc([O-])c2Cl)ccc1C ZINC001245828110 803983246 /nfs/dbraw/zinc/98/32/46/803983246.db2.gz OQKFKAFGPYYYOO-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM [O-]c1ccc(F)c(-c2c[nH]cc3ncnc2-3)c1Cl ZINC001245832434 803985805 /nfs/dbraw/zinc/98/58/05/803985805.db2.gz XRXUVAOHPWXIGU-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc3c(c2)OCCO3)c1Cl ZINC001245832403 803986635 /nfs/dbraw/zinc/98/66/35/803986635.db2.gz XAJVSHINJAEUSU-UHFFFAOYSA-N -1 1 281.670 3.018 20 0 CGADMM O=C1NCc2cccc(-c3c(F)ccc([O-])c3Cl)c2N1 ZINC001245835107 803989106 /nfs/dbraw/zinc/98/91/06/803989106.db2.gz PQBSCOBWHMGKNZ-UHFFFAOYSA-N -1 1 292.697 3.487 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(OC)c(Cl)c2)[n-]1 ZINC001245923328 804050658 /nfs/dbraw/zinc/05/06/58/804050658.db2.gz FFIWOHYLQNPXFA-UHFFFAOYSA-N -1 1 266.728 3.192 20 0 CGADMM CCCCc1cc(=O)n(-c2ccc(F)c(F)c2)[n-]1 ZINC001245926747 804054418 /nfs/dbraw/zinc/05/44/18/804054418.db2.gz KQATXRAYQWQXDW-UHFFFAOYSA-N -1 1 252.264 3.199 20 0 CGADMM Cc1cc(=O)n(-c2ccc(F)cc2C(F)(F)F)[n-]1 ZINC001245927982 804056070 /nfs/dbraw/zinc/05/60/70/804056070.db2.gz HTFJPJBULAPJGB-UHFFFAOYSA-N -1 1 260.190 3.044 20 0 CGADMM CCc1ccc(-n2[n-]c(CC3CCC3)cc2=O)cc1 ZINC001245935839 804064910 /nfs/dbraw/zinc/06/49/10/804064910.db2.gz CUIVBUOYRYZHMS-UHFFFAOYSA-N -1 1 256.349 3.483 20 0 CGADMM CCCCCc1cc(=O)n(Cc2ccc(C(=O)[O-])cc2)[nH]1 ZINC001245941636 804073142 /nfs/dbraw/zinc/07/31/42/804073142.db2.gz BOKSWHFCQHQXLM-UHFFFAOYSA-N -1 1 288.347 3.068 20 0 CGADMM [O-]c1c(Cl)cc(CN2C[C@H]3[C@H](CF)[C@H]3C2)cc1Cl ZINC001140833613 804531536 /nfs/dbraw/zinc/53/15/36/804531536.db2.gz YVYVLEWAXFDQSN-OWUUHHOZSA-N -1 1 290.165 3.346 20 0 CGADMM [O-]c1ccc(CN2Cc3cnc(Cl)cc3C2)c(F)c1F ZINC001140895742 804544418 /nfs/dbraw/zinc/54/44/18/804544418.db2.gz TZZHZCGIVUMLCE-UHFFFAOYSA-N -1 1 296.704 3.235 20 0 CGADMM CC(C)c1nnc([N-]c2cc(Cl)ccc2N)o1 ZINC001212427667 815025923 /nfs/dbraw/zinc/02/59/23/815025923.db2.gz WOLNAIWIUPMMSO-UHFFFAOYSA-N -1 1 252.705 3.172 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)C2CCCCCC2)c1 ZINC001141389201 804637452 /nfs/dbraw/zinc/63/74/52/804637452.db2.gz GODRVCTUVVWIMH-UHFFFAOYSA-N -1 1 289.375 3.308 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2ccc(Cl)cc2F)no1 ZINC001212480726 815035440 /nfs/dbraw/zinc/03/54/40/815035440.db2.gz FPJIYRMJSHMJAA-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM CC[C@@H](NC(=O)c1ncc(C)cc1[O-])C1CCCCC1 ZINC001142924227 804785096 /nfs/dbraw/zinc/78/50/96/804785096.db2.gz DNFGPMPGTKVOQN-CYBMUJFWSA-N -1 1 276.380 3.184 20 0 CGADMM COC(=O)c1c[n-]c(SCc2cccc3ncccc23)n1 ZINC001166030280 807032837 /nfs/dbraw/zinc/03/28/37/807032837.db2.gz OYEIZXXDFCJCFD-UHFFFAOYSA-N -1 1 299.355 3.037 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H](F)C(F)(F)C2)c(F)c1 ZINC001144542482 805001038 /nfs/dbraw/zinc/00/10/38/805001038.db2.gz ZTBFTGXFSWUNMN-LBPRGKRZSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H]2c2ccccn2)c(F)c1 ZINC001144555031 805003227 /nfs/dbraw/zinc/00/32/27/805003227.db2.gz RKORRAOSNGBJEU-INIZCTEOSA-N -1 1 290.313 3.403 20 0 CGADMM CCN(Cc1c(F)cc([O-])cc1F)CC(F)(F)F ZINC001144559523 805006224 /nfs/dbraw/zinc/00/62/24/805006224.db2.gz NFGKGJMXICSMEF-UHFFFAOYSA-N -1 1 269.213 3.055 20 0 CGADMM CSc1cc(NC(=O)c2ccc([O-])cn2)ccc1C ZINC001144583572 805011776 /nfs/dbraw/zinc/01/17/76/805011776.db2.gz SNHVLLMUYUYZHW-UHFFFAOYSA-N -1 1 274.345 3.070 20 0 CGADMM CCN(Cc1cc(F)c([O-])cc1F)CC(F)(F)F ZINC001144658506 805028941 /nfs/dbraw/zinc/02/89/41/805028941.db2.gz ZIOSDSRSPQJLNJ-UHFFFAOYSA-N -1 1 269.213 3.055 20 0 CGADMM CN(CCOc1ccccc1)Cc1cc(F)c([O-])cc1F ZINC001144667139 805031942 /nfs/dbraw/zinc/03/19/42/805031942.db2.gz UOLZONDNBGTALP-UHFFFAOYSA-N -1 1 293.313 3.181 20 0 CGADMM CC1(C)C[C@@H]1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001145043263 805063425 /nfs/dbraw/zinc/06/34/25/805063425.db2.gz WDXFYGQUJGCPHO-SECBINFHSA-N -1 1 287.281 3.187 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1ncc[nH]1 ZINC001148253380 805170694 /nfs/dbraw/zinc/17/06/94/805170694.db2.gz QNICEEGCQMFXFB-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM Cc1ccccc1N(C)C(=O)c1ccc([O-])c(F)c1 ZINC001148580395 805197485 /nfs/dbraw/zinc/19/74/85/805197485.db2.gz STTJEYLCDOPPFK-UHFFFAOYSA-N -1 1 259.280 3.116 20 0 CGADMM Nc1cc(F)cc([N-]c2nonc2C2CC2)c1Cl ZINC001249649011 805202142 /nfs/dbraw/zinc/20/21/42/805202142.db2.gz JGBJUWSNTUWFLE-UHFFFAOYSA-N -1 1 268.679 3.065 20 0 CGADMM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc2cccnc2c1[O-] ZINC001149314918 805228521 /nfs/dbraw/zinc/22/85/21/805228521.db2.gz PWRFZSMWWGCLNK-RYUDHWBXSA-N -1 1 284.359 3.344 20 0 CGADMM C[C@@H]1CCCCN1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249760762 805236193 /nfs/dbraw/zinc/23/61/93/805236193.db2.gz QXYNMNMGRHTGEC-SECBINFHSA-N -1 1 269.291 3.037 20 0 CGADMM O=C(Nc1ccc(O)c(Cl)c1)c1ccc(F)c([O-])c1 ZINC001151582920 805298728 /nfs/dbraw/zinc/29/87/28/805298728.db2.gz OHCSHNQZMQUECL-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM Cc1ccc(C(=O)Cc2cc(F)cc(F)c2[O-])cc1 ZINC001249909737 805299009 /nfs/dbraw/zinc/29/90/09/805299009.db2.gz GZJDQXVQOCPPMS-UHFFFAOYSA-N -1 1 262.255 3.404 20 0 CGADMM CCCC[C@H](O)CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC001151583416 805299340 /nfs/dbraw/zinc/29/93/40/805299340.db2.gz ZTCSPXSPGMMHSO-NSHDSACASA-N -1 1 285.771 3.315 20 0 CGADMM CC(C)(Oc1ccccc1)C(=O)Nc1cccc(F)c1[O-] ZINC001151772448 805312874 /nfs/dbraw/zinc/31/28/74/805312874.db2.gz RDFZELGUWPDJNA-UHFFFAOYSA-N -1 1 289.306 3.327 20 0 CGADMM CN(C)c1ccc(Nc2cc([O-])c(F)c(F)c2F)cn1 ZINC001249958705 805325314 /nfs/dbraw/zinc/32/53/14/805325314.db2.gz QODTVWHDYDYZAG-UHFFFAOYSA-N -1 1 283.253 3.014 20 0 CGADMM Cc1cc(C[C@H](C)Nc2cc([O-])c(F)c(F)c2F)on1 ZINC001249958431 805325485 /nfs/dbraw/zinc/32/54/85/805325485.db2.gz NSTQOTMTLAWEJH-LURJTMIESA-N -1 1 286.253 3.149 20 0 CGADMM Cc1cccnc1Nc1cc([O-])c(F)c(F)c1F ZINC001249959260 805326966 /nfs/dbraw/zinc/32/69/66/805326966.db2.gz ZUBOIWKOJVRANP-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM Nc1cc2ccccc2n1-c1cc([O-])c(F)c(F)c1F ZINC001249960493 805327032 /nfs/dbraw/zinc/32/70/32/805327032.db2.gz KPMVLZGBAQQGQM-UHFFFAOYSA-N -1 1 278.233 3.336 20 0 CGADMM [O-]c1cc(Nc2ccc[nH]c2=S)c(F)c(F)c1F ZINC001249960961 805328800 /nfs/dbraw/zinc/32/88/00/805328800.db2.gz YIQPOCOCFLRRIJ-UHFFFAOYSA-N -1 1 272.251 3.237 20 0 CGADMM [O-]c1cc(Nc2cccc3c2OCCO3)c(F)c(F)c1F ZINC001249962487 805329187 /nfs/dbraw/zinc/32/91/87/805329187.db2.gz GIZLQXVLLCBTEK-UHFFFAOYSA-N -1 1 297.232 3.324 20 0 CGADMM [O-]c1cc(Nc2ccc3c(c2)OCO3)c(F)c(F)c1F ZINC001249963131 805330322 /nfs/dbraw/zinc/33/03/22/805330322.db2.gz RRVKHOMUYIINQI-UHFFFAOYSA-N -1 1 283.205 3.282 20 0 CGADMM COc1cccc(CO)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249964586 805331957 /nfs/dbraw/zinc/33/19/57/805331957.db2.gz HGWDTNBFCALZFY-UHFFFAOYSA-N -1 1 299.248 3.054 20 0 CGADMM O=C1OCc2c1cccc2Nc1cc([O-])c(F)c(F)c1F ZINC001249965139 805333223 /nfs/dbraw/zinc/33/32/23/805333223.db2.gz XHMSHOGNUGYIAH-UHFFFAOYSA-N -1 1 295.216 3.224 20 0 CGADMM Cc1cc(CO)cc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249965701 805333428 /nfs/dbraw/zinc/33/34/28/805333428.db2.gz HIYFUUONXBJUOY-UHFFFAOYSA-N -1 1 283.249 3.354 20 0 CGADMM Cc1ccnc(F)c1Nc1c([O-])cc(F)cc1F ZINC001212557624 815067741 /nfs/dbraw/zinc/06/77/41/815067741.db2.gz PIDKACUDZXHTIY-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM O=C(NC[C@@H]1CCc2ccccc2C1)c1ccc([O-])cc1F ZINC001152786349 805368499 /nfs/dbraw/zinc/36/84/99/805368499.db2.gz FOASZHLYTARYCB-GFCCVEGCSA-N -1 1 299.345 3.066 20 0 CGADMM O=c1cc(Nc2cc(Cl)c([O-])cc2F)nc(C2CC2)[nH]1 ZINC001250020070 805369462 /nfs/dbraw/zinc/36/94/62/805369462.db2.gz CEKLXUGDFIZBNT-UHFFFAOYSA-N -1 1 295.701 3.301 20 0 CGADMM O=C1NCc2ccc(Nc3cc(Cl)c([O-])cc3F)cc21 ZINC001250022367 805374254 /nfs/dbraw/zinc/37/42/54/805374254.db2.gz KYEXKOMYLSYHED-UHFFFAOYSA-N -1 1 292.697 3.172 20 0 CGADMM Nc1cccc2c1CCN2c1cc(Cl)c([O-])cc1F ZINC001250025756 805376237 /nfs/dbraw/zinc/37/62/37/805376237.db2.gz JIZZTLZXGYJKTK-UHFFFAOYSA-N -1 1 278.714 3.461 20 0 CGADMM Cc1cc([N-]c2nnc(-c3ccco3)o2)c(C)cc1CO ZINC001250057629 805394189 /nfs/dbraw/zinc/39/41/89/805394189.db2.gz BIAIJJODGYSNMK-UHFFFAOYSA-N -1 1 285.303 3.182 20 0 CGADMM Cc1ncnc(C)c1NC(=O)c1c([O-])ccc2ccccc21 ZINC001153499527 805400071 /nfs/dbraw/zinc/40/00/71/805400071.db2.gz WMPWKOORQKWNEZ-UHFFFAOYSA-N -1 1 293.326 3.205 20 0 CGADMM [O-]c1cc(F)c(C[C@H]2COc3ccccc3O2)cc1F ZINC001250178408 805466323 /nfs/dbraw/zinc/46/63/23/805466323.db2.gz YGACKEXSJXMYQC-JTQLQIEISA-N -1 1 278.254 3.053 20 0 CGADMM Nc1cccc(C(=S)Nc2ccc(Cl)c([O-])c2)c1 ZINC001212593136 815079574 /nfs/dbraw/zinc/07/95/74/815079574.db2.gz FGHMYLZBKQGOLI-UHFFFAOYSA-N -1 1 278.764 3.415 20 0 CGADMM COC(=O)c1cncc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250228847 805504256 /nfs/dbraw/zinc/50/42/56/805504256.db2.gz NGGAZQMEIIMQRP-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM COC(=O)c1ccc(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250228044 805504493 /nfs/dbraw/zinc/50/44/93/805504493.db2.gz IQMFDGPDLNBVAD-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM COC(=O)c1ccc(Nc2c(F)ccc([O-])c2Cl)o1 ZINC001250229004 805505319 /nfs/dbraw/zinc/50/53/19/805505319.db2.gz RROGDRQRIHLNNM-UHFFFAOYSA-N -1 1 285.658 3.308 20 0 CGADMM O=c1[nH]cccc1Nc1c(F)ccc([O-])c1Cl ZINC001250228353 805505482 /nfs/dbraw/zinc/50/54/82/805505482.db2.gz YEVNUGDTSNXKFU-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM Cc1cnc(Nc2c(F)ccc([O-])c2Cl)c(N)c1 ZINC001250228798 805505585 /nfs/dbraw/zinc/50/55/85/805505585.db2.gz LDYCHBGDNZHLFE-UHFFFAOYSA-N -1 1 267.691 3.214 20 0 CGADMM Nc1ccc(O)c(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250232830 805508091 /nfs/dbraw/zinc/50/80/91/805508091.db2.gz VMJIJTJUIQQOLS-UHFFFAOYSA-N -1 1 268.675 3.216 20 0 CGADMM O=C(NCc1ccc(Cl)cc1F)c1cccc([O-])c1F ZINC001154928592 805509771 /nfs/dbraw/zinc/50/97/71/805509771.db2.gz BMYMZHGTGMPITL-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM O=C(Cc1cc(F)cc(F)c1[O-])c1cccc(F)c1 ZINC001250235970 805512018 /nfs/dbraw/zinc/51/20/18/805512018.db2.gz IBCBKYRRFWQWIZ-UHFFFAOYSA-N -1 1 266.218 3.235 20 0 CGADMM NC(=O)c1cccc(F)c1Nc1c(F)ccc([O-])c1Cl ZINC001250237717 805512978 /nfs/dbraw/zinc/51/29/78/805512978.db2.gz MWPWBWWIKNIVEC-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM O=C(Cc1cc(F)cc(F)c1[O-])c1cccs1 ZINC001250306784 805557345 /nfs/dbraw/zinc/55/73/45/805557345.db2.gz JYOOHUGNAIYWSX-UHFFFAOYSA-N -1 1 254.257 3.157 20 0 CGADMM O=C(NCC1CC(c2ccccc2)C1)c1cccc([O-])c1F ZINC001155284539 805567349 /nfs/dbraw/zinc/56/73/49/805567349.db2.gz HVSXLEBEXIIVAJ-UHFFFAOYSA-N -1 1 299.345 3.455 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cccc3cnccc32)c1 ZINC001256855083 806993007 /nfs/dbraw/zinc/99/30/07/806993007.db2.gz FXWNPUBGAQNKRN-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[N-]Oc2ccc(F)cc2)C[C@@H]1C ZINC001165799851 807020363 /nfs/dbraw/zinc/02/03/63/807020363.db2.gz CIOKOTOIKYXNQN-GRYCIOLGSA-N -1 1 265.328 3.308 20 0 CGADMM COC(=O)c1cc(Cl)sc1[N-]c1conc1C ZINC001212719489 815113224 /nfs/dbraw/zinc/11/32/24/815113224.db2.gz PJYQXJIFNLJBFN-UHFFFAOYSA-N -1 1 272.713 3.228 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cnc(C)cc2C)c(C)c1 ZINC001259096267 807674052 /nfs/dbraw/zinc/67/40/52/807674052.db2.gz WEEZXOZGLCUDCK-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1cc(Cl)cc2cccnc21 ZINC001260741631 807704588 /nfs/dbraw/zinc/70/45/88/807704588.db2.gz MFMFIISVWACGTC-SECBINFHSA-N -1 1 298.795 3.428 20 0 CGADMM Nc1c(Cl)cc(F)cc1C(=O)Nc1cccc(F)c1[O-] ZINC001171637544 808109626 /nfs/dbraw/zinc/10/96/26/808109626.db2.gz NJCPZMZBGHXGFD-UHFFFAOYSA-N -1 1 298.676 3.158 20 0 CGADMM CC(C)(C)c1nsc([N-]c2cccc3[nH]cnc32)n1 ZINC001213027255 815203913 /nfs/dbraw/zinc/20/39/13/815203913.db2.gz QIZRPCYBCBGRIQ-UHFFFAOYSA-N -1 1 273.365 3.456 20 0 CGADMM COc1ccc(C)cc1[N-]c1nnc(-c2ccco2)o1 ZINC001173983096 808804753 /nfs/dbraw/zinc/80/47/53/808804753.db2.gz XAXIKPIZOYFPFL-UHFFFAOYSA-N -1 1 271.276 3.390 20 0 CGADMM CC(=O)Nc1ccccc1Nc1ccnc(Cl)c1[O-] ZINC001173992966 808808573 /nfs/dbraw/zinc/80/85/73/808808573.db2.gz DFXFKPFDQQZTQD-UHFFFAOYSA-N -1 1 277.711 3.143 20 0 CGADMM CSc1nc(Nc2ccc3c(ccn3C)c2)cc(=O)[n-]1 ZINC001174096796 808863089 /nfs/dbraw/zinc/86/30/89/808863089.db2.gz OWBHAHINZXMIPL-UHFFFAOYSA-N -1 1 286.360 3.139 20 0 CGADMM CC(=O)NCc1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001174233113 808916800 /nfs/dbraw/zinc/91/68/00/808916800.db2.gz FSMUMJUXHHTPNJ-UHFFFAOYSA-N -1 1 292.285 3.050 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc2n[nH]cc2c1 ZINC001174274827 808921045 /nfs/dbraw/zinc/92/10/45/808921045.db2.gz JWDZNSVBABKKJM-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM O=C([O-])c1ccc(Nc2cccc3[nH]ncc32)cc1 ZINC001174345826 808966749 /nfs/dbraw/zinc/96/67/49/808966749.db2.gz VJFNWAMJAHFRLG-UHFFFAOYSA-N -1 1 253.261 3.005 20 0 CGADMM CN(C)c1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001174962643 809217849 /nfs/dbraw/zinc/21/78/49/809217849.db2.gz MHHGHAJAEQYEDL-UHFFFAOYSA-N -1 1 296.326 3.308 20 0 CGADMM [O-]c1cc(Nc2c(F)ccc(O)c2F)cc(F)c1F ZINC001175267571 809330926 /nfs/dbraw/zinc/33/09/26/809330926.db2.gz AFVBVMIRETZLRG-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1c(F)ccc(O)c1F ZINC001175269804 809334355 /nfs/dbraw/zinc/33/43/55/809334355.db2.gz MKIHNXBXGNXUTD-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM Cc1ccccc1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001290052584 809400056 /nfs/dbraw/zinc/40/00/56/809400056.db2.gz TUZHBATUYMZUCP-UHFFFAOYSA-N -1 1 289.762 3.213 20 0 CGADMM O=C(Nc1ccc2c(c1)CCCO2)c1ccc(F)c([O-])c1 ZINC001292580951 809435128 /nfs/dbraw/zinc/43/51/28/809435128.db2.gz HQTRNXVLVMOWIP-UHFFFAOYSA-N -1 1 287.290 3.109 20 0 CGADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc(F)ccc1[O-] ZINC001293449493 809448559 /nfs/dbraw/zinc/44/85/59/809448559.db2.gz QIZQDKLKIJKNPR-GMXVVIOVSA-N -1 1 277.339 3.230 20 0 CGADMM Cc1[nH]c(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)c1C=O ZINC001295291966 809484348 /nfs/dbraw/zinc/48/43/48/809484348.db2.gz FDZKEPIDZWSKGR-UHFFFAOYSA-N -1 1 292.722 3.055 20 0 CGADMM CN(CCCc1ccccc1)C(=O)c1ccc(F)c([O-])c1 ZINC001296005017 809496616 /nfs/dbraw/zinc/49/66/16/809496616.db2.gz HLWLQADJBBGECJ-UHFFFAOYSA-N -1 1 287.334 3.236 20 0 CGADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC001296729338 809508449 /nfs/dbraw/zinc/50/84/49/809508449.db2.gz OYRBZBPGARSAJD-QWHCGFSZSA-N -1 1 276.380 3.122 20 0 CGADMM CCCc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1 ZINC001175718214 809519104 /nfs/dbraw/zinc/51/91/04/809519104.db2.gz IKXJKKFJVULLBZ-UHFFFAOYSA-N -1 1 267.332 3.266 20 0 CGADMM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc([O-])cn2)C1 ZINC001297682007 809521654 /nfs/dbraw/zinc/52/16/54/809521654.db2.gz BEJZMNHBEHXNOR-GUYCJALGSA-N -1 1 296.370 3.401 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1ccc(C(F)F)o1 ZINC001297820804 809523395 /nfs/dbraw/zinc/52/33/95/809523395.db2.gz MODXGPVZPGVMFB-UHFFFAOYSA-N -1 1 289.184 3.453 20 0 CGADMM Cc1ccc(F)c(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001298971683 809542642 /nfs/dbraw/zinc/54/26/42/809542642.db2.gz AQSXDOQRNUZUHX-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM O=C(Nc1ccc2c(c1)CCCC2=O)c1ccccc1[O-] ZINC001299842003 809556279 /nfs/dbraw/zinc/55/62/79/809556279.db2.gz NURONFSMOZIBCJ-UHFFFAOYSA-N -1 1 281.311 3.164 20 0 CGADMM O=C(NCCCC1CC1)c1ccc2ccc(O)cc2c1[O-] ZINC001300028139 809558469 /nfs/dbraw/zinc/55/84/69/809558469.db2.gz OJZSMEAVXAICSG-UHFFFAOYSA-N -1 1 285.343 3.171 20 0 CGADMM O=C(/C=C/COc1ccccc1)Nc1c([O-])cccc1F ZINC001300487996 809569375 /nfs/dbraw/zinc/56/93/75/809569375.db2.gz JDYONKORYMIHDY-BJMVGYQFSA-N -1 1 287.290 3.105 20 0 CGADMM Cc1ccc(C(=O)NCc2ccc([O-])c(Cl)c2)s1 ZINC001303297193 809608370 /nfs/dbraw/zinc/60/83/70/809608370.db2.gz UQIOEMCSTHFULZ-UHFFFAOYSA-N -1 1 281.764 3.346 20 0 CGADMM CS(=O)(=O)c1ccc([O-])c(Nc2cccc(Cl)c2)c1 ZINC001176223096 809650377 /nfs/dbraw/zinc/65/03/77/809650377.db2.gz IAEMQLNJFPMOPQ-UHFFFAOYSA-N -1 1 297.763 3.193 20 0 CGADMM CC(C)(CNC(=O)c1cc(Cl)ccc1[O-])CC(F)F ZINC001176331385 809670877 /nfs/dbraw/zinc/67/08/77/809670877.db2.gz IRCIBVPDOGEWIL-UHFFFAOYSA-N -1 1 291.725 3.457 20 0 CGADMM CC(C)c1nccnc1Nc1c(F)cc(F)c([O-])c1F ZINC001176669024 809738003 /nfs/dbraw/zinc/73/80/03/809738003.db2.gz CGYZLSQUISMHAA-UHFFFAOYSA-N -1 1 283.253 3.467 20 0 CGADMM Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(F)n1 ZINC001176664409 809738390 /nfs/dbraw/zinc/73/83/90/809738390.db2.gz YBDRBKXPRSMMOA-UHFFFAOYSA-N -1 1 272.201 3.396 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2nccc3cnccc32)c1F ZINC001176664889 809738821 /nfs/dbraw/zinc/73/88/21/809738821.db2.gz WXILUAGOGIKHRC-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2c(F)cnc(F)c2F)c1F ZINC001176663547 809738939 /nfs/dbraw/zinc/73/89/39/809738939.db2.gz JFMVANRWSYQTCZ-UHFFFAOYSA-N -1 1 294.154 3.365 20 0 CGADMM Nc1cccc2ccn(-c3c(F)cc(F)c([O-])c3F)c21 ZINC001176671029 809740247 /nfs/dbraw/zinc/74/02/47/809740247.db2.gz REJSLKIFRSIDCP-UHFFFAOYSA-N -1 1 278.233 3.336 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccc3c2OCC3)c1F ZINC001176672869 809741190 /nfs/dbraw/zinc/74/11/90/809741190.db2.gz MJXFLQBAXVRYOA-UHFFFAOYSA-N -1 1 281.233 3.488 20 0 CGADMM Cn1cnc2c1cccc2Nc1c(F)cc(F)c([O-])c1F ZINC001176674840 809741346 /nfs/dbraw/zinc/74/13/46/809741346.db2.gz YAOPQAGZCIXVHT-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM COc1ccc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001179308341 809914383 /nfs/dbraw/zinc/91/43/83/809914383.db2.gz OWLZPDZCFLHQNM-UHFFFAOYSA-N -1 1 295.342 3.199 20 0 CGADMM Cc1ccc(CC(=O)Nc2cc(F)c([O-])cc2Cl)cn1 ZINC001179656575 809934924 /nfs/dbraw/zinc/93/49/24/809934924.db2.gz TWSIQPFEQFORNF-UHFFFAOYSA-N -1 1 294.713 3.069 20 0 CGADMM C[C@@H]1CCCN(Cc2ncc(Br)cc2[O-])[C@@H]1C ZINC001179858413 809952115 /nfs/dbraw/zinc/95/21/15/809952115.db2.gz FEVDIGYKRAJDOJ-NXEZZACHSA-N -1 1 299.212 3.170 20 0 CGADMM O=C(NCCc1ccccc1)Nc1cccc([O-])c1Cl ZINC001184939370 810224180 /nfs/dbraw/zinc/22/41/80/810224180.db2.gz GFUFGOHQRDZECE-UHFFFAOYSA-N -1 1 290.750 3.410 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2ccsc2)cc(C)c1C ZINC001185392201 810260131 /nfs/dbraw/zinc/26/01/31/810260131.db2.gz WDVAETOZBKOCIV-UHFFFAOYSA-N -1 1 281.402 3.474 20 0 CGADMM CCc1nccc(C)c1NC(=O)c1ccc([O-])cc1F ZINC001186317981 810328189 /nfs/dbraw/zinc/32/81/89/810328189.db2.gz ALGZELXWARMOQJ-UHFFFAOYSA-N -1 1 274.295 3.049 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1)Nc1cc(Cl)ncc1[O-] ZINC001187546668 810404342 /nfs/dbraw/zinc/40/43/42/810404342.db2.gz BTSSTSYTSABORC-UHFFFAOYSA-N -1 1 299.664 3.363 20 0 CGADMM COCOc1cccc(Cl)c1[N-]c1nc(C)ns1 ZINC001214303154 815394431 /nfs/dbraw/zinc/39/44/31/815394431.db2.gz MIXUTWIZKDDLDK-UHFFFAOYSA-N -1 1 285.756 3.226 20 0 CGADMM CCn1cc(NC(=O)c2ccc(C(C)(C)C)cc2[O-])cn1 ZINC001192313746 810786646 /nfs/dbraw/zinc/78/66/46/810786646.db2.gz IARKXGLOVQMQOF-UHFFFAOYSA-N -1 1 287.363 3.158 20 0 CGADMM C=Cc1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC001192552486 810805399 /nfs/dbraw/zinc/80/53/99/810805399.db2.gz PILFVACWBATGMC-UHFFFAOYSA-N -1 1 289.281 3.243 20 0 CGADMM O=C(Nc1cnc2occc2c1)c1cc([O-])cc(F)c1F ZINC001192660947 810815518 /nfs/dbraw/zinc/81/55/18/810815518.db2.gz HTCWQIGCAMPOQK-UHFFFAOYSA-N -1 1 290.225 3.064 20 0 CGADMM CCCCCNC(=O)Nc1cccc([O-])c1Cl ZINC001193326535 810872618 /nfs/dbraw/zinc/87/26/18/810872618.db2.gz QIAQCARYUQUXIG-UHFFFAOYSA-N -1 1 256.733 3.357 20 0 CGADMM COC(=O)c1ccncc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214480163 815415146 /nfs/dbraw/zinc/41/51/46/815415146.db2.gz MYAPBDDFFGJZHX-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM O=C(Nc1cc2ccc([O-])cc2oc1=O)Oc1ccccc1 ZINC001194221886 811039087 /nfs/dbraw/zinc/03/90/87/811039087.db2.gz ZZMYGEUTPAVVFK-UHFFFAOYSA-N -1 1 297.266 3.110 20 0 CGADMM CNC(=O)c1ccccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214488774 815417633 /nfs/dbraw/zinc/41/76/33/815417633.db2.gz LLWBUMXLDSPXII-UHFFFAOYSA-N -1 1 294.713 3.288 20 0 CGADMM CC[C@H](C)COC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001194765941 811129224 /nfs/dbraw/zinc/12/92/24/811129224.db2.gz GDQBCFZEFVSHMO-NSHDSACASA-N -1 1 289.335 3.173 20 0 CGADMM CC(C)c1cccnc1NC(=O)c1cc([O-])cnc1Cl ZINC001195299125 811238524 /nfs/dbraw/zinc/23/85/24/811238524.db2.gz IKFNEOIPZQKLPM-UHFFFAOYSA-N -1 1 291.738 3.211 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(Cl)c(Cl)c1 ZINC001195449175 811256152 /nfs/dbraw/zinc/25/61/52/811256152.db2.gz IVQVJNPHXBKMJQ-UHFFFAOYSA-N -1 1 293.175 3.436 20 0 CGADMM CC(C)c1nnc(Nc2cc(C(=O)[O-])c(Cl)cc2F)o1 ZINC001214736479 815447051 /nfs/dbraw/zinc/44/70/51/815447051.db2.gz WRWZTMYEJHXXRT-UHFFFAOYSA-N -1 1 299.689 3.427 20 0 CGADMM Cc1ccccc1NC(=O)Nc1cc(Cl)ncc1[O-] ZINC001202177781 812031526 /nfs/dbraw/zinc/03/15/26/812031526.db2.gz XZCWAVNJRUQZSL-UHFFFAOYSA-N -1 1 277.711 3.393 20 0 CGADMM COc1cccc(NC(=O)Nc2c([O-])cccc2F)c1 ZINC001202276296 812054680 /nfs/dbraw/zinc/05/46/80/812054680.db2.gz NQJRFJGJWYBVOF-UHFFFAOYSA-N -1 1 276.267 3.184 20 0 CGADMM COc1ccc(-c2noc(-c3ccc(O)cc3[O-])n2)c(C)c1 ZINC001215300101 815505193 /nfs/dbraw/zinc/50/51/93/815505193.db2.gz MRPIYRIGRPMOMG-UHFFFAOYSA-N -1 1 298.298 3.132 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])Nc1cc(F)ccc1F ZINC001202658383 812147384 /nfs/dbraw/zinc/14/73/84/812147384.db2.gz RVZTXBJLXLZDGT-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc2cncnc2c1 ZINC001203711460 812436890 /nfs/dbraw/zinc/43/68/90/812436890.db2.gz LHBSKRMRQGWNKC-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM Fc1cc2[nH]ccc2c([N-]c2nonc2C2CC2)c1 ZINC001203735115 812445927 /nfs/dbraw/zinc/44/59/27/812445927.db2.gz ZQBBSIPMDFNKSF-UHFFFAOYSA-N -1 1 258.256 3.311 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(-c3nnco3)cc2)cc1F ZINC001215574203 815538417 /nfs/dbraw/zinc/53/84/17/815538417.db2.gz ZIKIWMLNHCPIAU-UHFFFAOYSA-N -1 1 289.241 3.464 20 0 CGADMM Nc1cc(F)c(F)cc1Nc1cc(F)c([O-])cc1F ZINC001215571749 815537355 /nfs/dbraw/zinc/53/73/55/815537355.db2.gz KHOYFIRGTORXFK-UHFFFAOYSA-N -1 1 272.201 3.274 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc3nccnc32)cc1F ZINC001215573522 815538637 /nfs/dbraw/zinc/53/86/37/815538637.db2.gz LUCIEPGYXAKHLU-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM Cc1cc(N)c(Nc2cc(F)c([O-])cc2F)cc1F ZINC001215573507 815538709 /nfs/dbraw/zinc/53/87/09/815538709.db2.gz LNMYBLPECLFMQA-UHFFFAOYSA-N -1 1 268.238 3.444 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc3c2OCC[C@H]3O)cc1F ZINC001215576338 815539555 /nfs/dbraw/zinc/53/95/55/815539555.db2.gz WHOOWSBPUPTSIU-CYBMUJFWSA-N -1 1 293.269 3.230 20 0 CGADMM Cc1ncn(C)c1Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001215643348 815550828 /nfs/dbraw/zinc/55/08/28/815550828.db2.gz UOYPQYWVYNOVJS-UHFFFAOYSA-N -1 1 299.252 3.189 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccn2ccnc2c1 ZINC001204998318 812818020 /nfs/dbraw/zinc/81/80/20/812818020.db2.gz WHIQSRYYWUCDPR-UHFFFAOYSA-N -1 1 261.231 3.062 20 0 CGADMM O=C([O-])c1sccc1-c1cc(N2CCCC2)ccn1 ZINC001205542556 812998207 /nfs/dbraw/zinc/99/82/07/812998207.db2.gz KEHOUGGPFJECBZ-UHFFFAOYSA-N -1 1 274.345 3.109 20 0 CGADMM Fc1ccc(-c2cc([N-]c3cnn4cccnc34)on2)cc1 ZINC001205951925 813145211 /nfs/dbraw/zinc/14/52/11/813145211.db2.gz KZUSTKFQWNGFID-UHFFFAOYSA-N -1 1 295.277 3.267 20 0 CGADMM O=C([O-])c1cc(-c2cc3nc[nH]c3cc2F)cs1 ZINC001206298392 813277800 /nfs/dbraw/zinc/27/78/00/813277800.db2.gz CBLYQESBLVRGPO-UHFFFAOYSA-N -1 1 262.265 3.129 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1cc(O)cc(F)c1 ZINC001206774987 813434766 /nfs/dbraw/zinc/43/47/66/813434766.db2.gz XTBFOLKMXKNALB-UHFFFAOYSA-N -1 1 287.246 3.087 20 0 CGADMM CN(C)c1ccccc1Nc1c([O-])cc(F)cc1F ZINC001209990470 814233249 /nfs/dbraw/zinc/23/32/49/814233249.db2.gz HFNYTMYCIVMXBO-UHFFFAOYSA-N -1 1 264.275 3.480 20 0 CGADMM CSc1nc(Nc2ccc(N(C)C)c(C)c2)cc(=O)[n-]1 ZINC001210039826 814258886 /nfs/dbraw/zinc/25/88/86/814258886.db2.gz BPJXHBIGCMEGOG-UHFFFAOYSA-N -1 1 290.392 3.022 20 0 CGADMM CSc1nc(Nc2ccc3cnccc3c2)cc(=O)[n-]1 ZINC001210044734 814262385 /nfs/dbraw/zinc/26/23/85/814262385.db2.gz DOSJXGILCXPGRS-UHFFFAOYSA-N -1 1 284.344 3.196 20 0 CGADMM Cc1nc2ccc(F)cn2c1Nc1cccc(CC(=O)[O-])c1 ZINC001210072676 814274649 /nfs/dbraw/zinc/27/46/49/814274649.db2.gz UPABLNMLZRUFON-UHFFFAOYSA-N -1 1 299.305 3.153 20 0 CGADMM CCc1ncccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001210465162 814471610 /nfs/dbraw/zinc/47/16/10/814471610.db2.gz IBYKNHREPFCHKU-UHFFFAOYSA-N -1 1 282.299 3.200 20 0 CGADMM CC(C)c1cc(-n2[n-]c(=O)c3ccc(N)cc32)ccc1O ZINC001215848367 815612893 /nfs/dbraw/zinc/61/28/93/815612893.db2.gz CLDIPXRCMHXJBI-UHFFFAOYSA-N -1 1 283.331 3.142 20 0 CGADMM Cc1ccc(CO)cc1Nc1cc2ccc([O-])cc2oc1=O ZINC001210676950 814581442 /nfs/dbraw/zinc/58/14/42/814581442.db2.gz BCHYZVZISGOJPV-UHFFFAOYSA-N -1 1 297.310 3.043 20 0 CGADMM Nc1c(F)cc(Nc2ccc(F)c(F)c2[O-])cc1F ZINC001210910931 814670097 /nfs/dbraw/zinc/67/00/97/814670097.db2.gz DEVPKYURVASFAL-UHFFFAOYSA-N -1 1 272.201 3.274 20 0 CGADMM [O-]c1cccc(-c2cnc(OC(F)(F)F)cn2)c1Cl ZINC001242799423 823135757 /nfs/dbraw/zinc/13/57/57/823135757.db2.gz KDWSVPNNMXXOJB-UHFFFAOYSA-N -1 1 290.628 3.401 20 0 CGADMM [O-]c1cccc(-c2ncnc3c2CCCC3)c1Cl ZINC001242798344 823135784 /nfs/dbraw/zinc/13/57/84/823135784.db2.gz SRVPTXWKICNZAN-UHFFFAOYSA-N -1 1 260.724 3.381 20 0 CGADMM COC(=O)c1ncc(-c2cccc([O-])c2Cl)cc1F ZINC001242799789 823136535 /nfs/dbraw/zinc/13/65/35/823136535.db2.gz CJACSIHEYFNSIZ-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM Cc1c(CO)cccc1Nc1ccc(F)c(F)c1[O-] ZINC001211167989 814840520 /nfs/dbraw/zinc/84/05/20/814840520.db2.gz VCOBAFCGBATJCX-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)c([O-])cc2F)c(C)c1 ZINC001211340475 814881522 /nfs/dbraw/zinc/88/15/22/814881522.db2.gz VSBQHJPAIGSROZ-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM [O-]c1cc(F)c(-c2cccc(C3OCCO3)c2)cc1F ZINC001211340834 814881866 /nfs/dbraw/zinc/88/18/66/814881866.db2.gz ZJTAWFAQIDOVOV-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM COC(=O)Cc1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211339899 814881884 /nfs/dbraw/zinc/88/18/84/814881884.db2.gz QGBJBGNACYDWSD-UHFFFAOYSA-N -1 1 278.254 3.053 20 0 CGADMM O=C1CCc2c(cccc2-c2cc(F)c([O-])cc2F)N1 ZINC001211351838 814884743 /nfs/dbraw/zinc/88/47/43/814884743.db2.gz FSCLZMGPGIMNLY-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM Nc1cnc2c(cccc2-c2cc(F)c([O-])cc2F)c1 ZINC001211359171 814885560 /nfs/dbraw/zinc/88/55/60/814885560.db2.gz CIFPFPKTUINOJY-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM COc1cc([N-]c2nnco2)ccc1-c1ccccc1 ZINC001216003241 815657143 /nfs/dbraw/zinc/65/71/43/815657143.db2.gz KXOQFCWTEGXZDZ-UHFFFAOYSA-N -1 1 267.288 3.489 20 0 CGADMM Fc1ncc(-c2ccccc2)cc1[N-]c1cnns1 ZINC001216070314 815680366 /nfs/dbraw/zinc/68/03/66/815680366.db2.gz OKFQIONVZWDABZ-UHFFFAOYSA-N -1 1 272.308 3.483 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc(CO)cc1F ZINC001216276735 815764600 /nfs/dbraw/zinc/76/46/00/815764600.db2.gz PHPIKXUCVOCTIE-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM [O-]c1c(NC2=CCCOC2)ccc(F)c1Br ZINC001216512218 815848793 /nfs/dbraw/zinc/84/87/93/815848793.db2.gz OITDKUWSLYLCJL-UHFFFAOYSA-N -1 1 288.116 3.010 20 0 CGADMM CCOc1cc(-c2cc(F)c([O-])cc2F)cnc1F ZINC001222083169 816343785 /nfs/dbraw/zinc/34/37/85/816343785.db2.gz RDUPXCNWCSBNSY-UHFFFAOYSA-N -1 1 269.222 3.270 20 0 CGADMM Clc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC001222357184 816419175 /nfs/dbraw/zinc/41/91/75/816419175.db2.gz SNGFIUCSLXHURP-UHFFFAOYSA-N -1 1 292.129 3.236 20 0 CGADMM Clc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC001222357184 816419177 /nfs/dbraw/zinc/41/91/77/816419177.db2.gz SNGFIUCSLXHURP-UHFFFAOYSA-N -1 1 292.129 3.236 20 0 CGADMM CC(C)C[C@H](C)C[C@H](CC(C)C)OCc1nn[n-]n1 ZINC001223028905 816554346 /nfs/dbraw/zinc/55/43/46/816554346.db2.gz FLOTVJGKBLRXLM-STQMWFEESA-N -1 1 268.405 3.203 20 0 CGADMM CCCC[C@H](OCC[P@](=O)([O-])O)[C@H](C)CCC ZINC001224602261 816831307 /nfs/dbraw/zinc/83/13/07/816831307.db2.gz PGBSXXRZDWLLSI-NEPJUHHUSA-N -1 1 266.318 3.176 20 0 CGADMM CC(C)(C)c1nc2c(ncnc2-c2ccc(F)c([O-])c2)[nH]1 ZINC001243049576 823226863 /nfs/dbraw/zinc/22/68/63/823226863.db2.gz LKCNPLRRBRDDBL-UHFFFAOYSA-N -1 1 286.310 3.162 20 0 CGADMM [O-]c1cc(-c2ncccc2OC(F)F)ccc1F ZINC001243054973 823230162 /nfs/dbraw/zinc/23/01/62/823230162.db2.gz WPNBHXNGZZMIDQ-UHFFFAOYSA-N -1 1 255.195 3.195 20 0 CGADMM Cc1ccc2nc(-c3ccc(F)c([O-])c3)ncc2c1 ZINC001243054710 823230184 /nfs/dbraw/zinc/23/01/84/823230184.db2.gz QAFXUJJPYZLUJO-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM CC(C)=CCC[C@@H](C)OCCCC[P@](=O)([O-])O ZINC001225019176 816934115 /nfs/dbraw/zinc/93/41/15/816934115.db2.gz UHXQHMAJNQAYAO-GFCCVEGCSA-N -1 1 264.302 3.096 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H](C)c1ccncc1 ZINC001225616933 817113952 /nfs/dbraw/zinc/11/39/52/817113952.db2.gz QVQSWAXDTNGUSS-LLVKDONJSA-N -1 1 257.289 3.130 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CC2CCC1CC2 ZINC001225678885 817137908 /nfs/dbraw/zinc/13/79/08/817137908.db2.gz LSOJNZWNIUHISI-QIMFLAQGSA-N -1 1 276.332 3.258 20 0 CGADMM CC[C@H](Oc1[n-]c(=S)ncc1OC)c1ccccc1F ZINC001226247212 817311050 /nfs/dbraw/zinc/31/10/50/817311050.db2.gz VAYPQSAALLKABL-NSHDSACASA-N -1 1 294.351 3.443 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H](C)C(C)C)c12 ZINC001226486135 817373483 /nfs/dbraw/zinc/37/34/83/817373483.db2.gz PTIRMGSNZPOZJQ-JTQLQIEISA-N -1 1 262.305 3.230 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H]3CCCC[C@H]3F)c12 ZINC001226487122 817373567 /nfs/dbraw/zinc/37/35/67/817373567.db2.gz VHWFALNYUOKBDT-NEPJUHHUSA-N -1 1 292.306 3.467 20 0 CGADMM C[C@H](Oc1cnc[n-]c1=O)c1ccc2ccccc2c1 ZINC001227045168 817542341 /nfs/dbraw/zinc/54/23/41/817542341.db2.gz MCTXIXQKMIKLHN-NSHDSACASA-N -1 1 266.300 3.475 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@H](c2cccnc2)C2CC2)c1Cl ZINC001227111719 817561287 /nfs/dbraw/zinc/56/12/87/817561287.db2.gz QATSFNGCVBFAOB-LBPRGKRZSA-N -1 1 291.738 3.069 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CCCC[C@@H]1C ZINC001227168782 817578444 /nfs/dbraw/zinc/57/84/44/817578444.db2.gz NPSYNCIFHRILIV-XHDPSFHLSA-N -1 1 278.348 3.179 20 0 CGADMM Cc1ccc2c(c1)CC[C@H]2Oc1[n-]c(=S)ncc1F ZINC001227385927 817637051 /nfs/dbraw/zinc/63/70/51/817637051.db2.gz PABANPXWTXPWNQ-GFCCVEGCSA-N -1 1 276.336 3.279 20 0 CGADMM C[C@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1ccc(F)cc1 ZINC001227709244 817699608 /nfs/dbraw/zinc/69/96/08/817699608.db2.gz CANVVWNLJFWKQY-IUCAKERBSA-N -1 1 290.294 3.053 20 0 CGADMM Cc1cccc([C@H](C)Oc2[n-]c(=O)nc3c2CO[C@@H]3C)c1 ZINC001227716149 817701612 /nfs/dbraw/zinc/70/16/12/817701612.db2.gz LJBCWQRDDFVHCX-WDEREUQCSA-N -1 1 286.331 3.222 20 0 CGADMM CCC[C@H](Oc1cnnc(=S)[n-]1)c1ccccc1 ZINC001228637292 817959229 /nfs/dbraw/zinc/95/92/29/817959229.db2.gz VBKLNCAFVKKCSM-NSHDSACASA-N -1 1 261.350 3.081 20 0 CGADMM C/C=C/[C@H](Oc1cnnc(=S)[n-]1)C1CCCCC1 ZINC001228642796 817961267 /nfs/dbraw/zinc/96/12/67/817961267.db2.gz VDZKDWXMFBQVKU-GSQGTZRGSA-N -1 1 265.382 3.064 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccccc1O[C@H]1CCCOC1 ZINC001231231216 818062941 /nfs/dbraw/zinc/06/29/41/818062941.db2.gz SHXUDUOPYLIULM-HNNXBMFYSA-N -1 1 298.338 3.181 20 0 CGADMM C[C@]1(F)CCCCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC001231462427 818102214 /nfs/dbraw/zinc/10/22/14/818102214.db2.gz JYMRWYPIBDDYRV-ZDUSSCGKSA-N -1 1 271.357 3.160 20 0 CGADMM [O-]c1cc(CN2CCCC(F)(F)C2)ccc1Cl ZINC001231733139 818162171 /nfs/dbraw/zinc/16/21/71/818162171.db2.gz OEHWUMYGDZFLOA-UHFFFAOYSA-N -1 1 261.699 3.277 20 0 CGADMM CCCCOC1CN(Cc2cccc([O-])c2Cl)C1 ZINC001232788291 818441717 /nfs/dbraw/zinc/44/17/17/818441717.db2.gz MGUCNCGUKLNOOK-UHFFFAOYSA-N -1 1 269.772 3.047 20 0 CGADMM [O-]c1c(F)ccc(CN(Cc2ccco2)C2CC2)c1F ZINC001232937697 818476622 /nfs/dbraw/zinc/47/66/22/818476622.db2.gz RHUYNZLAYUOHPY-UHFFFAOYSA-N -1 1 279.286 3.428 20 0 CGADMM CCN(Cc1ccccn1)Cc1ccc(F)c([O-])c1F ZINC001232937237 818476897 /nfs/dbraw/zinc/47/68/97/818476897.db2.gz LKKHUISJDDKFLA-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM O=C1CCN(Cc2cc([O-])c(F)c(F)c2)[C@@H]2CCCC[C@H]12 ZINC001232969528 818485494 /nfs/dbraw/zinc/48/54/94/818485494.db2.gz RXSZHRUCFASPPY-WCQYABFASA-N -1 1 295.329 3.004 20 0 CGADMM O=C1CCN(Cc2cc([O-])c(F)c(F)c2)[C@H]2CCCC[C@H]12 ZINC001232969526 818485575 /nfs/dbraw/zinc/48/55/75/818485575.db2.gz RXSZHRUCFASPPY-AAEUAGOBSA-N -1 1 295.329 3.004 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCC[C@@H]1c1ccccn1 ZINC001233036028 818505251 /nfs/dbraw/zinc/50/52/51/818505251.db2.gz KAWGTMWUYSMPIU-CYBMUJFWSA-N -1 1 289.766 3.173 20 0 CGADMM C[C@H]1c2cccn2CCN1Cc1ccc([S-])cc1 ZINC001233261731 818558225 /nfs/dbraw/zinc/55/82/25/818558225.db2.gz BNKYLMYZIKQIOL-LBPRGKRZSA-N -1 1 258.390 3.354 20 0 CGADMM COc1cc(F)cc(-c2ccc([O-])c(F)c2F)c1 ZINC001243340336 823353785 /nfs/dbraw/zinc/35/37/85/823353785.db2.gz WCFJQCVZBBOHLL-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OC[C@H]1CCCCO1 ZINC001233650999 818669681 /nfs/dbraw/zinc/66/96/81/818669681.db2.gz VVFOSOREUAYFHT-CYBMUJFWSA-N -1 1 278.348 3.323 20 0 CGADMM COc1cc(C)c(-c2ccc([O-])c(F)c2F)c(C)n1 ZINC001243342880 823356879 /nfs/dbraw/zinc/35/68/79/823356879.db2.gz NVUVJEYKOYEJIK-UHFFFAOYSA-N -1 1 265.259 3.358 20 0 CGADMM [O-]c1ccc(-c2cnc3ncccc3c2)c(F)c1F ZINC001243343516 823358181 /nfs/dbraw/zinc/35/81/81/823358181.db2.gz ZGMCQBRMKMPKMO-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1ccc(-c2ccc([O-])c(F)c2F)c(C)n1 ZINC001243343048 823358308 /nfs/dbraw/zinc/35/83/08/823358308.db2.gz VGYHVCRCCJRLRT-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CC(=O)[C@H](C)Oc1ccc(CC(=O)c2ccc([O-])cc2)cc1 ZINC001233941176 818736760 /nfs/dbraw/zinc/73/67/60/818736760.db2.gz IJWJARRHUSJULY-ZDUSSCGKSA-N -1 1 298.338 3.174 20 0 CGADMM COc1cc(-c2ccc([O-])c(F)c2F)c2cc[nH]c2n1 ZINC001243345938 823360629 /nfs/dbraw/zinc/36/06/29/823360629.db2.gz XBULQIMRPGSGSC-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM CCCC/C=C/[C@@H](C)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234606876 818890123 /nfs/dbraw/zinc/89/01/23/818890123.db2.gz QGLCQYJSABOEKW-QROSGCPLSA-N -1 1 297.326 3.227 20 0 CGADMM O=C([O-])c1ccccc1-c1c(F)cc(F)c(O)c1F ZINC001235994999 819263943 /nfs/dbraw/zinc/26/39/43/819263943.db2.gz MSJDTDZINSAOCK-UHFFFAOYSA-N -1 1 268.190 3.175 20 0 CGADMM Cc1nc2c(ccn2C)c(-c2c(F)ccc(C)c2[O-])n1 ZINC001236389345 819446483 /nfs/dbraw/zinc/44/64/83/819446483.db2.gz CMFHOSGVQOCCOO-UHFFFAOYSA-N -1 1 271.295 3.097 20 0 CGADMM Cc1ccc(F)c(-c2ccc(C(F)(F)F)nn2)c1[O-] ZINC001236391222 819447468 /nfs/dbraw/zinc/44/74/68/819447468.db2.gz MDPGRQLYGSOABC-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM CSc1ccc(-c2c(F)ccc(C)c2[O-])nn1 ZINC001236392614 819448455 /nfs/dbraw/zinc/44/84/55/819448455.db2.gz PWKIIJBXLSLMBO-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM Cc1ccc(F)c(-c2ncnc3c2CCCC3)c1[O-] ZINC001236394663 819450287 /nfs/dbraw/zinc/45/02/87/819450287.db2.gz ZMCPBNSXMTVZSR-UHFFFAOYSA-N -1 1 258.296 3.176 20 0 CGADMM CC(C)Cn1cc(-c2cc(F)cc(F)c2[O-])ccc1=O ZINC001243507358 823424682 /nfs/dbraw/zinc/42/46/82/823424682.db2.gz YAPOXKCKLKGCNP-UHFFFAOYSA-N -1 1 279.286 3.155 20 0 CGADMM COc1cccc(-c2cc(F)cc(F)c2[O-])c1OC ZINC001243505219 823423067 /nfs/dbraw/zinc/42/30/67/823423067.db2.gz XOVFTAATKHPSLN-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM COc1ccc(-c2cc(F)cc(F)c2[O-])cc1OC ZINC001243505216 823423263 /nfs/dbraw/zinc/42/32/63/823423263.db2.gz XMEKZLKOAZMVTH-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM Cc1cc(C(N)=O)cc(C)c1-c1cc(F)cc(F)c1[O-] ZINC001243506449 823424038 /nfs/dbraw/zinc/42/40/38/823424038.db2.gz VYYUKQFQTQQLPS-UHFFFAOYSA-N -1 1 277.270 3.053 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@@]3(CCOC3)C2)cc1Cl ZINC001237985569 819903500 /nfs/dbraw/zinc/90/35/00/819903500.db2.gz ZWAHFRIIRZUBGI-OAHLLOKOSA-N -1 1 299.773 3.187 20 0 CGADMM CSc1nccc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243576181 823451018 /nfs/dbraw/zinc/45/10/18/823451018.db2.gz DXLYDVCJRNQHBB-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM COc1nccc2c(-c3ccc(Cl)c([O-])c3)ncnc21 ZINC001243576747 823451537 /nfs/dbraw/zinc/45/15/37/823451537.db2.gz LUGDPPBSFQOQNN-UHFFFAOYSA-N -1 1 287.706 3.059 20 0 CGADMM O=C1C=CC(=O)N1c1ccc(-c2ccc(Cl)c([O-])c2)cc1 ZINC001243578110 823452420 /nfs/dbraw/zinc/45/24/20/823452420.db2.gz LTBYQAXGZDYMPC-UHFFFAOYSA-N -1 1 299.713 3.142 20 0 CGADMM O=C1OCc2cc(-c3ccc(Cl)c([O-])c3)ccc21 ZINC001243579203 823452954 /nfs/dbraw/zinc/45/29/54/823452954.db2.gz YPJRXQCAZACCJI-UHFFFAOYSA-N -1 1 260.676 3.383 20 0 CGADMM CS(=O)(=O)Oc1ccc(-c2ccc(Cl)c([O-])c2)cc1 ZINC001243584415 823455514 /nfs/dbraw/zinc/45/55/14/823455514.db2.gz QZYYRLWQZQMXOC-UHFFFAOYSA-N -1 1 298.747 3.051 20 0 CGADMM CCN(C)c1cc(-c2ccc(C(F)(F)F)cc2[O-])ncn1 ZINC001243606859 823465091 /nfs/dbraw/zinc/46/50/91/823465091.db2.gz JZEWLONWLNEXKG-UHFFFAOYSA-N -1 1 297.280 3.324 20 0 CGADMM CCOc1ccccc1-c1ccc2[n-]c(C(=O)OC)nc2c1 ZINC001239558660 820411114 /nfs/dbraw/zinc/41/11/14/820411114.db2.gz FCHNQGXYKRDRRM-UHFFFAOYSA-N -1 1 296.326 3.415 20 0 CGADMM CCOc1ccccc1-c1ccc2nc(C(=O)OC)[n-]c2c1 ZINC001239558660 820411118 /nfs/dbraw/zinc/41/11/18/820411118.db2.gz FCHNQGXYKRDRRM-UHFFFAOYSA-N -1 1 296.326 3.415 20 0 CGADMM COc1cc(C(=O)[O-])ccc1-c1ccc2[nH]c(C)nc2c1 ZINC001240734873 821288353 /nfs/dbraw/zinc/28/83/53/821288353.db2.gz LUPQQBXAVFDIBF-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM COc1cc(-c2cc3nc[nH]c3cc2F)ccc1C(=O)[O-] ZINC001240746569 821297954 /nfs/dbraw/zinc/29/79/54/821297954.db2.gz SWPVVSQAMZQSNV-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM O=C1Cc2cc(-c3ccc(C(F)F)cc3)ccc2C(=O)[N-]1 ZINC001240774044 821318898 /nfs/dbraw/zinc/31/88/98/821318898.db2.gz OWWGDKZBADLHSK-UHFFFAOYSA-N -1 1 287.265 3.104 20 0 CGADMM COc1ccc2c(c1)ncnc2-c1ccc([O-])c(F)c1 ZINC001240782002 821322490 /nfs/dbraw/zinc/32/24/90/821322490.db2.gz OADYACUBZDVADP-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM [O-]c1ccc(-c2ccc(-c3ccccn3)nn2)cc1F ZINC001240786675 821326794 /nfs/dbraw/zinc/32/67/94/821326794.db2.gz ZKRMKDOFEFXBIH-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM CN1CCN(c2ccc(-c3ccccc3[S-])cc2)CC1 ZINC001240852193 821371486 /nfs/dbraw/zinc/37/14/86/821371486.db2.gz NCLWLHIEPSAMPE-UHFFFAOYSA-N -1 1 284.428 3.394 20 0 CGADMM Cc1ccc(-c2nc(C)cc(NC3CC3)n2)c([O-])c1 ZINC001241028080 821503002 /nfs/dbraw/zinc/50/30/02/821503002.db2.gz IQXIRVCKZULJCT-UHFFFAOYSA-N -1 1 255.321 3.040 20 0 CGADMM COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)cc1F ZINC001241119413 821574072 /nfs/dbraw/zinc/57/40/72/821574072.db2.gz MOFRTEYPCSEZFS-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(OC(F)F)cn2)c(F)c1 ZINC001241119104 821574295 /nfs/dbraw/zinc/57/42/95/821574295.db2.gz XSBIUCKJGSXEHX-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM CCCc1cc(-c2c(F)cc([O-])cc2F)ncn1 ZINC001241120507 821575335 /nfs/dbraw/zinc/57/53/35/821575335.db2.gz XTJHOEQOYBVNEH-UHFFFAOYSA-N -1 1 250.248 3.080 20 0 CGADMM [O-]c1cc(F)c(-c2cc(-c3ccco3)ncn2)c(F)c1 ZINC001241120410 821575971 /nfs/dbraw/zinc/57/59/71/821575971.db2.gz SOMFZRWOQKUEAA-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM COC(=O)c1ccc(C)cc1-c1c(F)cc([O-])cc1F ZINC001241121674 821579045 /nfs/dbraw/zinc/57/90/45/821579045.db2.gz APTWKKWOJSUCPW-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM C[S@@](=N)(=O)c1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241122994 821580306 /nfs/dbraw/zinc/58/03/06/821580306.db2.gz QKPGOAHHXGJETF-LJQANCHMSA-N -1 1 283.299 3.373 20 0 CGADMM O=C([O-])c1cc(-c2cc3[nH]ccc3cn2)ccc1F ZINC001241242061 821663462 /nfs/dbraw/zinc/66/34/62/821663462.db2.gz XIRUKNKXQSNDKJ-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc(-c3cccnc3)n2)c1F ZINC001241289022 821706227 /nfs/dbraw/zinc/70/62/27/821706227.db2.gz HCTJBYYRQDEZOL-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM Cc1ccc(-c2cnnc(-c3c(F)ccc([O-])c3F)n2)cc1 ZINC001241291185 821707633 /nfs/dbraw/zinc/70/76/33/821707633.db2.gz ICFBJDNTPCQMHD-UHFFFAOYSA-N -1 1 299.280 3.498 20 0 CGADMM [O-]c1ccc(F)c(-c2ncc(C(F)F)cn2)c1F ZINC001241291360 821707965 /nfs/dbraw/zinc/70/79/65/821707965.db2.gz NNKFPDUACKXPMU-UHFFFAOYSA-N -1 1 258.174 3.065 20 0 CGADMM [O-]c1ccc(F)c(-c2ncc3ccc(F)cc3n2)c1F ZINC001241291320 821708221 /nfs/dbraw/zinc/70/82/21/821708221.db2.gz WVXPKPIODSACOR-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3cccnc3n2)c1F ZINC001241291651 821709796 /nfs/dbraw/zinc/70/97/96/821709796.db2.gz PGAMDFIHPZORSI-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1ccc(F)c(-c2nccnc2C(F)F)c1F ZINC001241291781 821709919 /nfs/dbraw/zinc/70/99/19/821709919.db2.gz WVNXDVWEIINJAX-UHFFFAOYSA-N -1 1 258.174 3.065 20 0 CGADMM CC(C)(C)c1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001241301931 821717520 /nfs/dbraw/zinc/71/75/20/821717520.db2.gz ONWFBDOLEOKYAH-UHFFFAOYSA-N -1 1 279.347 3.226 20 0 CGADMM CC(C)(C)c1cccc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001241301931 821717524 /nfs/dbraw/zinc/71/75/24/821717524.db2.gz ONWFBDOLEOKYAH-UHFFFAOYSA-N -1 1 279.347 3.226 20 0 CGADMM Cc1ncnc(-c2cc(C(F)(F)F)ccc2[O-])c1C ZINC001242131326 822888929 /nfs/dbraw/zinc/88/89/29/822888929.db2.gz HJJCJHVCSSBEIK-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ncnc2ncccc21 ZINC001242126830 822886895 /nfs/dbraw/zinc/88/68/95/822886895.db2.gz RXLUEYRMOYMIIR-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM Cc1cnc(-c2cc(C(F)(F)F)ccc2[O-])c(N)c1 ZINC001242131896 822888266 /nfs/dbraw/zinc/88/82/66/822888266.db2.gz LOXUHLMTOMYTBG-UHFFFAOYSA-N -1 1 268.238 3.364 20 0 CGADMM [O-]c1ccc(-c2ncc3[nH]ccc3n2)cc1C(F)(F)F ZINC001242148438 822894522 /nfs/dbraw/zinc/89/45/22/822894522.db2.gz YLWPUXLDVRDZEH-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM Cc1nc(-c2ccc([O-])c(C(F)(F)F)c2)cc(N(C)C)n1 ZINC001242148449 822894637 /nfs/dbraw/zinc/89/46/37/822894637.db2.gz ZMVMOVVHCXTVNO-UHFFFAOYSA-N -1 1 297.280 3.242 20 0 CGADMM COCc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC001242151876 822895692 /nfs/dbraw/zinc/89/56/92/822895692.db2.gz XEJTWHBONLPOTF-UHFFFAOYSA-N -1 1 284.237 3.014 20 0 CGADMM COc1ncnc(C)c1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242163063 822900593 /nfs/dbraw/zinc/90/05/93/822900593.db2.gz WCAZAAIKOUTRAK-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM O=C([O-])c1cccc(-c2cc3nc[nH]c3cc2F)c1F ZINC001242381078 822975613 /nfs/dbraw/zinc/97/56/13/822975613.db2.gz FEMOWDMPLKNGHM-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM CC[C@@H](C)n1nccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001347053066 936868620 /nfs/dbraw/zinc/86/86/20/936868620.db2.gz NAQHVYVPTOFMBS-SECBINFHSA-N -1 1 293.754 3.465 20 0 CGADMM O=C(Nc1ccc2cc[nH]c2c1)c1c(F)ccc([O-])c1F ZINC001347252195 936875676 /nfs/dbraw/zinc/87/56/76/936875676.db2.gz KFLHCDHXJMXKEX-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM CC[C@@H](C)n1nccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001347674269 936891829 /nfs/dbraw/zinc/89/18/29/936891829.db2.gz KYIMGINIKHMHMW-MRVPVSSYSA-N -1 1 295.289 3.090 20 0 CGADMM Cc1ccc(CNC(=S)Nc2ccc(F)cc2[O-])cc1 ZINC001200313988 937063365 /nfs/dbraw/zinc/06/33/65/937063365.db2.gz AYYNPRCABAJHCE-UHFFFAOYSA-N -1 1 290.363 3.326 20 0 CGADMM CCC(=O)c1ccc([O-])cc1OC[C@@H]1CCC(C)(C)O1 ZINC001229474785 927346730 /nfs/dbraw/zinc/34/67/30/927346730.db2.gz JOVQEEKZQXGLAZ-LBPRGKRZSA-N -1 1 278.348 3.321 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@H]1CCCC[C@@H]1OC ZINC001229477140 927347269 /nfs/dbraw/zinc/34/72/69/927347269.db2.gz LUOFXDOZRZTBLN-GJZGRUSLSA-N -1 1 278.348 3.321 20 0 CGADMM CCSc1cc(Cl)ccc1C(=O)Nc1c[n-][nH]c1=O ZINC001363705707 937231972 /nfs/dbraw/zinc/23/19/72/937231972.db2.gz IKWGAPNNSRFKNM-UHFFFAOYSA-N -1 1 297.767 3.133 20 0 CGADMM CC(C)C[C@H](NC(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001440794041 937334067 /nfs/dbraw/zinc/33/40/67/937334067.db2.gz ZLDRUXZAWGBSNP-INIZCTEOSA-N -1 1 284.359 3.304 20 0 CGADMM O=C(NCc1cc2ccccc2o1)c1cccc([O-])c1F ZINC001441493044 937338796 /nfs/dbraw/zinc/33/87/96/937338796.db2.gz KAEGUDPDLBPVPZ-UHFFFAOYSA-N -1 1 285.274 3.208 20 0 CGADMM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc(F)c([O-])c1 ZINC001442515775 937342710 /nfs/dbraw/zinc/34/27/10/937342710.db2.gz HHTZBPJJRDAPAZ-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cccc([O-])c1F ZINC001445649537 937358636 /nfs/dbraw/zinc/35/86/36/937358636.db2.gz NBAADQPUMBGYSY-JTQLQIEISA-N -1 1 289.306 3.070 20 0 CGADMM Cc1cnc(C(=O)NCC(C)(C)C2CCCC2)c([O-])c1 ZINC001446236629 937361899 /nfs/dbraw/zinc/36/18/99/937361899.db2.gz DVQZARNPTWTVHN-UHFFFAOYSA-N -1 1 276.380 3.042 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@H](C(C)(C)C)C2)c1 ZINC001446716540 937364408 /nfs/dbraw/zinc/36/44/08/937364408.db2.gz RSYHMENEKIERDM-ZDUSSCGKSA-N -1 1 289.375 3.021 20 0 CGADMM CCOc1ccc(NC(=O)c2cccc([O-])c2F)c(F)c1 ZINC001451695943 937392075 /nfs/dbraw/zinc/39/20/75/937392075.db2.gz BOYVKCYDEUHSSZ-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM C[C@H]1CCCC[C@@]1(C)NC(=O)c1ccc(F)c([O-])c1 ZINC001450916316 937387765 /nfs/dbraw/zinc/38/77/65/937387765.db2.gz WODIOBDLHPKXRP-ZUZCIYMTSA-N -1 1 265.328 3.230 20 0 CGADMM O=C(CNc1cccc(Cl)c1)Nc1cccc(F)c1[O-] ZINC001454760571 937412162 /nfs/dbraw/zinc/41/21/62/937412162.db2.gz YBSUOZCEMCSXRP-UHFFFAOYSA-N -1 1 294.713 3.235 20 0 CGADMM CC1(C)[C@@H]2C[C@@H](Oc3cc([O-])cc4oc(=O)ccc34)C[C@@H]21 ZINC001229136216 932103044 /nfs/dbraw/zinc/10/30/44/932103044.db2.gz ULVMXWQYDRXZKJ-UOJUARBOSA-N -1 1 286.327 3.312 20 0 CGADMM [O-]c1cc(OC2CC3(COC3)C2)c(Cl)cc1Cl ZINC001229410152 932147173 /nfs/dbraw/zinc/14/71/73/932147173.db2.gz ILNDODRKXOHWHT-UHFFFAOYSA-N -1 1 275.131 3.257 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@H]1CC=C(OC)CC1 ZINC001229476834 932158663 /nfs/dbraw/zinc/15/86/63/932158663.db2.gz KJMBDDRYKPOAAQ-ZDUSSCGKSA-N -1 1 276.332 3.447 20 0 CGADMM CCC1(C(=O)NCCc2c(F)cc([O-])cc2F)CCCC1 ZINC001304012465 932839283 /nfs/dbraw/zinc/83/92/83/932839283.db2.gz OZDOXKWIEILLQH-UHFFFAOYSA-N -1 1 297.345 3.300 20 0 CGADMM Cc1ccsc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001304014342 932839370 /nfs/dbraw/zinc/83/93/70/932839370.db2.gz SQJFVIKULRPBDZ-UHFFFAOYSA-N -1 1 297.326 3.013 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cccc(NC=O)c2)c([O-])c1 ZINC001304102040 932844808 /nfs/dbraw/zinc/84/48/08/932844808.db2.gz NINBRGGZOKGXDJ-UHFFFAOYSA-N -1 1 298.342 3.336 20 0 CGADMM O=C(/C=C\c1cccnc1)Nc1cc(F)c([O-])cc1Cl ZINC001304284525 932848728 /nfs/dbraw/zinc/84/87/28/932848728.db2.gz OSJKRKZRDMRMKV-ARJAWSKDSA-N -1 1 292.697 3.232 20 0 CGADMM C[C@@H](CCc1ccccc1)NC(=O)c1cccc([O-])c1F ZINC001463620697 937677928 /nfs/dbraw/zinc/67/79/28/937677928.db2.gz GPRMZQBVEWSBOS-LBPRGKRZSA-N -1 1 287.334 3.282 20 0 CGADMM CC1(C)C(C)(C)C1(C)C(=O)[N-]OCc1ccccc1 ZINC001463934611 937683271 /nfs/dbraw/zinc/68/32/71/937683271.db2.gz JFNAIRHXFBMYOP-UHFFFAOYSA-N -1 1 261.365 3.307 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@H]1c1ccccc1 ZINC001464177541 937687324 /nfs/dbraw/zinc/68/73/24/937687324.db2.gz VWRXGAWSXAHYLE-AWEZNQCLSA-N -1 1 271.291 3.119 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@H](c2ccccc2)C1 ZINC001464520791 937691895 /nfs/dbraw/zinc/69/18/95/937691895.db2.gz MMODSRJDKSSVNL-AWEZNQCLSA-N -1 1 285.318 3.161 20 0 CGADMM C[C@H]1C[C@H](C)N(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001465373191 937700313 /nfs/dbraw/zinc/70/03/13/937700313.db2.gz JJFMIJKYERZIIX-IUCAKERBSA-N -1 1 287.281 3.282 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC=C(F)C1 ZINC001466439485 937708898 /nfs/dbraw/zinc/70/88/98/937708898.db2.gz LBKIQZAIFGINKS-UHFFFAOYSA-N -1 1 289.228 3.110 20 0 CGADMM Cc1cc(C)c(CC(=O)[N-]OC2CCCCC2)s1 ZINC001467347196 937717598 /nfs/dbraw/zinc/71/75/98/937717598.db2.gz QQKOKSQKRKFQQY-UHFFFAOYSA-N -1 1 267.394 3.288 20 0 CGADMM Cc1cc(C(=O)Nc2ccc([O-])c(F)c2F)ccc1F ZINC001468004071 937723599 /nfs/dbraw/zinc/72/35/99/937723599.db2.gz XNLYSXYHBDPMIZ-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001468851776 937732271 /nfs/dbraw/zinc/73/22/71/937732271.db2.gz MXGYXEWJFCAHOJ-MLGOLLRUSA-N -1 1 299.370 3.415 20 0 CGADMM COc1cc(Cl)ccc1OC(=O)c1ccc([O-])cc1F ZINC001469125334 937735485 /nfs/dbraw/zinc/73/54/85/937735485.db2.gz FAFOITLKUCVGHI-UHFFFAOYSA-N -1 1 296.681 3.413 20 0 CGADMM CC[C@@H](NC(=O)c1ccc(F)c([O-])c1)[C@@H]1CC1(C)C ZINC001469142230 937735579 /nfs/dbraw/zinc/73/55/79/937735579.db2.gz KHHWYXUSKGJJLA-CMPLNLGQSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1ccc(CC(C)(C)NC(=O)c2ncc(C)cc2[O-])cc1 ZINC001469143663 937735821 /nfs/dbraw/zinc/73/58/21/937735821.db2.gz KYBQVMIHQWTWOI-UHFFFAOYSA-N -1 1 298.386 3.155 20 0 CGADMM CCOC(=O)C(C)(C)O[N-]C(=O)C[C@@H](C)CCC=C(C)C ZINC001469541196 937740509 /nfs/dbraw/zinc/74/05/09/937740509.db2.gz LQCSMMHZQVOURT-ZDUSSCGKSA-N -1 1 299.411 3.149 20 0 CGADMM O=C(CC(F)(F)F)Nc1ccc(Br)c([O-])c1 ZINC001320805765 934107504 /nfs/dbraw/zinc/10/75/04/934107504.db2.gz NCSXEPHDQJIVJB-UHFFFAOYSA-N -1 1 298.058 3.046 20 0 CGADMM CCc1ccc2nc(-c3ccc(C)nc3)[n-]c(=O)c2c1 ZINC001321869218 934220628 /nfs/dbraw/zinc/22/06/28/934220628.db2.gz WPBVKIIZBBOUNE-UHFFFAOYSA-N -1 1 265.316 3.268 20 0 CGADMM Cc1cc(C)c(O)c(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC001470981997 937760262 /nfs/dbraw/zinc/76/02/62/937760262.db2.gz UMRZPNNZTWJZAZ-UHFFFAOYSA-N -1 1 293.269 3.245 20 0 CGADMM Cc1noc(C2CC2)c1[N-]C(=O)c1coc(C(C)(C)C)n1 ZINC001333039271 935506348 /nfs/dbraw/zinc/50/63/48/935506348.db2.gz PJPIJFOJQSEECX-UHFFFAOYSA-N -1 1 289.335 3.398 20 0 CGADMM CCc1ccc(CN[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001334778665 936113696 /nfs/dbraw/zinc/11/36/96/936113696.db2.gz ZPZRTNLHJBOMDC-INIZCTEOSA-N -1 1 289.400 3.400 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCC[C@@H](F)C1 ZINC001335017387 936126050 /nfs/dbraw/zinc/12/60/50/936126050.db2.gz IWIRZYGCMIMKMW-JGVFFNPUSA-N -1 1 273.254 3.137 20 0 CGADMM CC(C)(C)[C@@H]1CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC001336348288 936188973 /nfs/dbraw/zinc/18/89/73/936188973.db2.gz DMPVRDDEHURPII-ZDUSSCGKSA-N -1 1 284.359 3.201 20 0 CGADMM Cc1ccc([O-])c(C(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC001336882982 936225609 /nfs/dbraw/zinc/22/56/09/936225609.db2.gz OQHFFNLTBABQRV-UHFFFAOYSA-N -1 1 292.338 3.176 20 0 CGADMM CC(C)(C)[C@H]1CCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001521089152 938029806 /nfs/dbraw/zinc/02/98/06/938029806.db2.gz XPLFOGDAFWAFES-CYBMUJFWSA-N -1 1 296.798 3.376 20 0 CGADMM O=C([N-]c1c(F)ccnc1F)c1ccc(C(F)F)o1 ZINC001534633265 938097098 /nfs/dbraw/zinc/09/70/98/938097098.db2.gz UNOPHMFNSQVXLH-UHFFFAOYSA-N -1 1 274.173 3.143 20 0 CGADMM C[C@H](CCc1ccccc1)NC(=O)c1ccc(F)c([O-])c1 ZINC001540325811 938130143 /nfs/dbraw/zinc/13/01/43/938130143.db2.gz KYTRUIKVUSRXIR-GFCCVEGCSA-N -1 1 287.334 3.282 20 0 CGADMM C[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001540336587 938130415 /nfs/dbraw/zinc/13/04/15/938130415.db2.gz NNJHSIUKCVUAFL-NSHDSACASA-N -1 1 289.762 3.466 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cn1)c1cccc2ccccc21 ZINC001540370780 938130648 /nfs/dbraw/zinc/13/06/48/938130648.db2.gz FDRMGDKLSVQUCB-LBPRGKRZSA-N -1 1 292.338 3.431 20 0 CGADMM O=C(NCCCCc1ccccc1)c1ccc([O-])cc1F ZINC001540524301 938131858 /nfs/dbraw/zinc/13/18/58/938131858.db2.gz UJYXBVOIPAJVOE-UHFFFAOYSA-N -1 1 287.334 3.284 20 0 CGADMM CC(C)(C)C[C@@H](NC(=O)c1cnncc1[O-])c1ccccc1 ZINC001540817833 938134338 /nfs/dbraw/zinc/13/43/38/938134338.db2.gz GMTMQDYWPJGQMV-CQSZACIVSA-N -1 1 299.374 3.090 20 0 CGADMM CC1(NC(=O)c2ncc3ccccc3c2[O-])CCCC1 ZINC001542335084 938135911 /nfs/dbraw/zinc/13/59/11/938135911.db2.gz RJEGFWSDQFPQBQ-UHFFFAOYSA-N -1 1 270.332 3.003 20 0 CGADMM CC(C)CN(CC(C)C)C(=O)c1ccc(F)c([O-])c1 ZINC001542926511 938137288 /nfs/dbraw/zinc/13/72/88/938137288.db2.gz CWWAHSLNJOHMSD-UHFFFAOYSA-N -1 1 267.344 3.286 20 0 CGADMM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cc(F)ccc1[O-] ZINC001543448380 938139638 /nfs/dbraw/zinc/13/96/38/938139638.db2.gz OTJOFIDQKDPABN-MRXNPFEDSA-N -1 1 299.345 3.282 20 0 CGADMM O=C(NC[C@H]1CC=CCC1)c1ncc2ccccc2c1[O-] ZINC001544221502 938144062 /nfs/dbraw/zinc/14/40/62/938144062.db2.gz NLPKCLNQNPDTEQ-LBPRGKRZSA-N -1 1 282.343 3.027 20 0 CGADMM CC[C@H](NC(=O)c1ncc2ccccc2c1[O-])[C@@H]1CC1(C)C ZINC001557078810 938207653 /nfs/dbraw/zinc/20/76/53/938207653.db2.gz JYHKHURFUXFOGA-KBPBESRZSA-N -1 1 298.386 3.495 20 0 CGADMM COC1(C(=O)Nc2cc(F)cc(F)c2[O-])CCCCCC1 ZINC001557087002 938207848 /nfs/dbraw/zinc/20/78/48/938207848.db2.gz PGRYRTCKGIBPJR-UHFFFAOYSA-N -1 1 299.317 3.348 20 0 CGADMM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2ccc([O-])cn2)C1 ZINC001557155299 938208125 /nfs/dbraw/zinc/20/81/25/938208125.db2.gz DWXXXJMCJXTESU-JSGCOSHPSA-N -1 1 288.391 3.076 20 0 CGADMM CC(C)Nc1ccccc1NC(=O)c1ccccc1[O-] ZINC001557530861 938210504 /nfs/dbraw/zinc/21/05/04/938210504.db2.gz ZUNCYRINWGRXHE-UHFFFAOYSA-N -1 1 270.332 3.465 20 0 CGADMM CC1(C)C[C@@]1(C)CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001558143595 938213795 /nfs/dbraw/zinc/21/37/95/938213795.db2.gz BMNXHYZYSRCDEE-SFHVURJKSA-N -1 1 299.370 3.417 20 0 CGADMM CCCC1(C(=O)NCCc2c(F)cc([O-])cc2F)CCC1 ZINC001558516755 938215941 /nfs/dbraw/zinc/21/59/41/938215941.db2.gz VREFDHNSEICEEJ-UHFFFAOYSA-N -1 1 297.345 3.300 20 0 CGADMM O=C(NC[C@H]1CCC=CCCC1)c1ccc([O-])c(F)c1 ZINC001558743606 938217576 /nfs/dbraw/zinc/21/75/76/938217576.db2.gz KDINDDJQMTYTQS-LBPRGKRZSA-N -1 1 277.339 3.398 20 0 CGADMM O=C(CCCCc1ccc(Cl)cc1)Nc1c[n-][nH]c1=O ZINC001558988610 938218764 /nfs/dbraw/zinc/21/87/64/938218764.db2.gz YCXWQVMGRMQXTP-UHFFFAOYSA-N -1 1 293.754 3.120 20 0 CGADMM O=C([O-])[C@@H](NCc1cc(F)ccc1Cl)c1ccccc1 ZINC000124455727 949254927 /nfs/dbraw/zinc/25/49/27/949254927.db2.gz SXXOIPCOMFWDOX-AWEZNQCLSA-N -1 1 293.725 3.395 20 0 CGADMM O=C([O-])[C@H]1CN(Cc2cccc(F)c2)Cc2ccccc21 ZINC000087612212 958020739 /nfs/dbraw/zinc/02/07/39/958020739.db2.gz MADLLBWFEFEPLE-INIZCTEOSA-N -1 1 285.318 3.010 20 0 CGADMM O=C([O-])[C@H](NCc1cc(F)ccc1Cl)c1ccccc1 ZINC000124455953 958532741 /nfs/dbraw/zinc/53/27/41/958532741.db2.gz SXXOIPCOMFWDOX-CQSZACIVSA-N -1 1 293.725 3.395 20 0 CGADMM C[C@@H](NCc1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC000228156358 959996095 /nfs/dbraw/zinc/99/60/95/959996095.db2.gz ITTKDLMGLQKIKS-SECBINFHSA-N -1 1 279.723 3.482 20 0 CGADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001565786116 960817884 /nfs/dbraw/zinc/81/78/84/960817884.db2.gz VUUNMJOGPFITLB-MNOVXSKESA-N -1 1 265.328 3.182 20 0 CGADMM O=C(Nc1c[nH]nc1-c1ccccc1)c1cccc([O-])c1F ZINC001566569013 960962966 /nfs/dbraw/zinc/96/29/66/960962966.db2.gz IDGVIRWINIIUBZ-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM C[C@H](CCNC(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001568199595 961523169 /nfs/dbraw/zinc/52/31/69/961523169.db2.gz ABUDPDYJFHQWGA-GFCCVEGCSA-N -1 1 287.334 3.455 20 0 CGADMM C[C@@H]1CCCC[C@]1(C)NC(=O)c1cccc([O-])c1F ZINC001570095544 961901373 /nfs/dbraw/zinc/90/13/73/961901373.db2.gz UIILYDVXXCKIRP-BMIGLBTASA-N -1 1 265.328 3.230 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@]2(C)CCCC[C@H]2C)c1 ZINC001570095325 961902886 /nfs/dbraw/zinc/90/28/86/961902886.db2.gz OBLDQIWRZMYLQN-SJKOYZFVSA-N -1 1 289.375 3.212 20 0 CGADMM C[C@@H](NC(=O)c1cccc([O-])c1F)[C@@H]1CC2CCC1CC2 ZINC001583398129 962800080 /nfs/dbraw/zinc/80/00/80/962800080.db2.gz OXEUCHYEJRDSPZ-NPZBDFSRSA-N -1 1 291.366 3.476 20 0 CGADMM C[C@H](NC(=O)c1cccc([O-])c1F)[C@@H]1CC2CCC1CC2 ZINC001583398126 962805757 /nfs/dbraw/zinc/80/57/57/962805757.db2.gz OXEUCHYEJRDSPZ-BBCYWQGDSA-N -1 1 291.366 3.476 20 0 CGADMM C[C@@H](OC1CCCCC1)C(=O)Nc1c([O-])cccc1F ZINC001583971273 962870979 /nfs/dbraw/zinc/87/09/79/962870979.db2.gz AMJFKTLKYKLPDJ-SNVBAGLBSA-N -1 1 281.327 3.208 20 0 CGADMM Cc1cc(C)c(O)c(NC(=O)c2cccc([O-])c2F)c1 ZINC001586941524 963155101 /nfs/dbraw/zinc/15/51/01/963155101.db2.gz RIVHROAKMUVVGR-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cccc(Cl)c1 ZINC001587385648 963189673 /nfs/dbraw/zinc/18/96/73/963189673.db2.gz YRKAPMMSTUFANZ-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM CNc1ccc(Cl)c(C(=O)Nc2cccc(F)c2[O-])c1 ZINC001587389319 963189814 /nfs/dbraw/zinc/18/98/14/963189814.db2.gz HBSPOXGNAPEFBY-UHFFFAOYSA-N -1 1 294.713 3.479 20 0 CGADMM COc1ccccc1[C@@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001587735575 963220280 /nfs/dbraw/zinc/22/02/80/963220280.db2.gz HGPWBPMUTYEKCY-SNVBAGLBSA-N -1 1 289.306 3.031 20 0 CGADMM O=C([O-])c1ccc(CN2CCC(C(F)F)CC2)c(F)c1 ZINC000307868116 963234485 /nfs/dbraw/zinc/23/44/85/963234485.db2.gz HXYGCJSJRMXCQX-UHFFFAOYSA-N -1 1 287.281 3.001 20 0 CGADMM Cc1sccc1CN1CCc2c(cccc2C(=O)[O-])C1 ZINC000312530045 963572815 /nfs/dbraw/zinc/57/28/15/963572815.db2.gz PCLFIKHWVWJHGS-UHFFFAOYSA-N -1 1 287.384 3.313 20 0 CGADMM CCCN(CC(=O)[O-])Cc1cc(C(C)(C)C)oc1C ZINC001589669839 964020943 /nfs/dbraw/zinc/02/09/43/964020943.db2.gz PYWNDLKWYUQVQP-UHFFFAOYSA-N -1 1 267.369 3.182 20 0 CGADMM Cc1nc(SCCCC(=O)[O-])[nH]c1-c1ccccc1 ZINC001605066051 972691427 /nfs/dbraw/zinc/69/14/27/972691427.db2.gz YUTXGXRIDPMTBY-UHFFFAOYSA-N -1 1 276.361 3.342 20 0 CGADMM CCC1(CC)CCN([C@@H](C)c2nc(C(=O)[O-])co2)CC1 ZINC001595374999 980890521 /nfs/dbraw/zinc/89/05/21/980890521.db2.gz JFZJZNSLDMWVCD-NSHDSACASA-N -1 1 280.368 3.336 20 0 CGADMM CC/C=C\CN[C@H](C(=O)[O-])c1ccccc1Br ZINC001595521357 981339871 /nfs/dbraw/zinc/33/98/71/981339871.db2.gz ULKQVPGEWZWTPB-RYBZSIHZSA-N -1 1 298.180 3.131 20 0 CGADMM CCC[C@](C)(NCc1nc2cc(C)ccc2s1)C(=O)[O-] ZINC001595559453 981441049 /nfs/dbraw/zinc/44/10/49/981441049.db2.gz OWSAMQQAAGEVOF-HNNXBMFYSA-N -1 1 292.404 3.338 20 0 CGADMM CCc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC001597586193 988401757 /nfs/dbraw/zinc/40/17/57/988401757.db2.gz AGHOARGHJYVDAM-INIZCTEOSA-N -1 1 287.334 3.304 20 0 CGADMM CCc1cnccc1[C@H](C)N[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001597637181 988622819 /nfs/dbraw/zinc/62/28/19/988622819.db2.gz YHJKDTJIKJCFKM-NEPJUHHUSA-N -1 1 299.374 3.149 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cnc(C)s1 ZINC001597767509 989221535 /nfs/dbraw/zinc/22/15/35/989221535.db2.gz PHKFZHRAUOHEOB-QMMMGPOBSA-N -1 1 294.376 3.156 20 0 CGADMM C[C@H](N[C@@H](C)C1CCCCCC1)c1nc(C(=O)[O-])co1 ZINC001593353206 994975311 /nfs/dbraw/zinc/97/53/11/994975311.db2.gz PVNPOAQLDBMYGE-QWRGUYRKSA-N -1 1 280.368 3.382 20 0 CGADMM C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccoc1C(=O)[O-] ZINC001594215609 998829463 /nfs/dbraw/zinc/82/94/63/998829463.db2.gz SCJGXFVUESYDPH-SCZZXKLOSA-N -1 1 291.269 3.141 20 0 CGADMM CC[C@H](CSC)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000124346287 187133677 /nfs/dbraw/zinc/13/36/77/187133677.db2.gz YXVDGBLJQDXUAY-SNVBAGLBSA-N -1 1 287.812 3.259 20 0 CGADMM CC(C)(CNC(=O)c1cc(F)ccc1[O-])CC(F)(F)F ZINC000621226772 349477277 /nfs/dbraw/zinc/47/72/77/349477277.db2.gz GYZAQWNNOFKLNW-UHFFFAOYSA-N -1 1 293.260 3.240 20 0 CGADMM CSc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000337745556 214243283 /nfs/dbraw/zinc/24/32/83/214243283.db2.gz GCBQOOVLIUQPPI-UHFFFAOYSA-N -1 1 279.386 3.209 20 0 CGADMM CC[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1nccs1 ZINC000622383919 349675807 /nfs/dbraw/zinc/67/58/07/349675807.db2.gz QMEGFBWSMRIWSR-QMMMGPOBSA-N -1 1 298.314 3.008 20 0 CGADMM CC[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@@H]1CCCO1 ZINC000436600684 529562784 /nfs/dbraw/zinc/56/27/84/529562784.db2.gz ASMRQCPUXRFLRK-RDJZCZTQSA-N -1 1 299.370 3.233 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H](C)C(F)(F)F)n1 ZINC000436185640 529567283 /nfs/dbraw/zinc/56/72/83/529567283.db2.gz HCGYAUXRPJCBRB-LURJTMIESA-N -1 1 266.288 3.035 20 0 CGADMM CCc1ccnc(-c2noc(-c3ccc(OC)cc3[O-])n2)c1 ZINC000436593403 529624549 /nfs/dbraw/zinc/62/45/49/529624549.db2.gz BJAUZZPRPJXILP-UHFFFAOYSA-N -1 1 297.314 3.075 20 0 CGADMM CC[C@@H](C(=O)[N-]OCC(C)C)c1ccc(F)cc1 ZINC000127903631 187340009 /nfs/dbraw/zinc/34/00/09/187340009.db2.gz WFMJRULSJPUGPF-CYBMUJFWSA-N -1 1 253.317 3.023 20 0 CGADMM O=C([O-])C[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000032144939 344929549 /nfs/dbraw/zinc/92/95/49/344929549.db2.gz ISLHLXPICYZHJG-UHFFFAOYSA-N -1 1 289.762 3.427 20 0 CGADMM CN(Cc1ccncc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000042250394 344981150 /nfs/dbraw/zinc/98/11/50/344981150.db2.gz OZJQRHOJBMFODA-UHFFFAOYSA-N -1 1 292.338 3.213 20 0 CGADMM O=C([N-]c1cnoc1)c1csc(-c2ccc(F)cc2)n1 ZINC000623941822 349922550 /nfs/dbraw/zinc/92/25/50/349922550.db2.gz IGBWWNDAILOSKQ-UHFFFAOYSA-N -1 1 289.291 3.190 20 0 CGADMM O=C(c1ncccc1[O-])N1CCC[C@H]1CC1CCCCC1 ZINC000124376820 232187778 /nfs/dbraw/zinc/18/77/78/232187778.db2.gz RZVHNEKLNFBRSB-AWEZNQCLSA-N -1 1 288.391 3.362 20 0 CGADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1cc(Cl)cc(Cl)c1 ZINC000092942112 345863718 /nfs/dbraw/zinc/86/37/18/345863718.db2.gz TVLJMOSJDNQMEY-UFBFGSQYSA-N -1 1 288.174 3.288 20 0 CGADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000162940422 232255852 /nfs/dbraw/zinc/25/58/52/232255852.db2.gz JIRFCQCEGCEXFQ-VXGBXAGGSA-N -1 1 269.344 3.416 20 0 CGADMM Cc1ccc2nc(-c3ccc([O-])c(Cl)c3)[nH]c2n1 ZINC000162943606 232255922 /nfs/dbraw/zinc/25/59/22/232255922.db2.gz UFNWPPRHLUUIGQ-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM CCc1nsc([N-]c2cnn(-c3ccccc3)c2)n1 ZINC000092623345 345848170 /nfs/dbraw/zinc/84/81/70/345848170.db2.gz IYPODFPXJDHOME-UHFFFAOYSA-N -1 1 271.349 3.030 20 0 CGADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1cccc(Cl)c1Cl ZINC000092943483 345864143 /nfs/dbraw/zinc/86/41/43/345864143.db2.gz XPYKVKCQWVHQHW-WPRPVWTQSA-N -1 1 288.174 3.288 20 0 CGADMM CC1(C)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000094167422 345897387 /nfs/dbraw/zinc/89/73/87/345897387.db2.gz XHMVSOPGWWQFBX-UHFFFAOYSA-N -1 1 255.317 3.170 20 0 CGADMM CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(C)cc1Cl ZINC000233840676 346329359 /nfs/dbraw/zinc/32/93/59/346329359.db2.gz ZMMCTMQKSMGSJI-LLVKDONJSA-N -1 1 269.772 3.334 20 0 CGADMM CC1(c2noc(-c3ccc([O-])cc3F)n2)CCCC1 ZINC000312974956 346478567 /nfs/dbraw/zinc/47/85/67/346478567.db2.gz DWZXPUNHLHSXGP-UHFFFAOYSA-N -1 1 262.284 3.413 20 0 CGADMM CC1(C)CN(C(=O)c2cncc([O-])c2)[C@H]1c1ccccc1 ZINC000600968015 347849364 /nfs/dbraw/zinc/84/93/64/347849364.db2.gz CXJJSMUGNNIQOX-HNNXBMFYSA-N -1 1 282.343 3.011 20 0 CGADMM COc1ccc(F)cc1CNCc1cccc([O-])c1Cl ZINC000339364701 215123084 /nfs/dbraw/zinc/12/30/84/215123084.db2.gz WPHKKTHFJJZVFX-UHFFFAOYSA-N -1 1 295.741 3.483 20 0 CGADMM CC(C)c1nc(=N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)o[n-]1 ZINC000605690157 348166429 /nfs/dbraw/zinc/16/64/29/348166429.db2.gz AKVKQNYPYOKOFM-YNEHKIRRSA-N -1 1 263.385 3.386 20 0 CGADMM O=S(=O)([N-]c1ccccc1)c1cc(F)cc(Cl)c1 ZINC000339410792 215154045 /nfs/dbraw/zinc/15/40/45/215154045.db2.gz XARQVHXBKJPFOC-UHFFFAOYSA-N -1 1 285.727 3.280 20 0 CGADMM COc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])nc1 ZINC000608473989 348311110 /nfs/dbraw/zinc/31/11/10/348311110.db2.gz LXDGKFKRTNCRQA-UHFFFAOYSA-N -1 1 286.331 3.172 20 0 CGADMM CC(C)N(CC(F)F)C(=O)c1ncc2ccccc2c1[O-] ZINC000612589320 348531733 /nfs/dbraw/zinc/53/17/33/348531733.db2.gz GFQQFMFRLVLOMQ-UHFFFAOYSA-N -1 1 294.301 3.056 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCCC2(CC2)C1 ZINC000613029542 348560921 /nfs/dbraw/zinc/56/09/21/348560921.db2.gz SHVNQHONEWXEFN-JTQLQIEISA-N -1 1 263.312 3.440 20 0 CGADMM CCN(CC1CCC1)C(=O)c1ncc2ccccc2c1[O-] ZINC000614285609 348665029 /nfs/dbraw/zinc/66/50/29/348665029.db2.gz ADEULUXKEPGVJV-UHFFFAOYSA-N -1 1 284.359 3.203 20 0 CGADMM CS[C@H](CNC(=O)c1ccc([O-])c(F)c1)C(C)(C)C ZINC000613528609 348615670 /nfs/dbraw/zinc/61/56/70/348615670.db2.gz LKRHNUFURUFACC-GFCCVEGCSA-N -1 1 285.384 3.039 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](CC(C)C)c1ccccc1 ZINC000615225404 348725191 /nfs/dbraw/zinc/72/51/91/348725191.db2.gz AFOKXXBRHQIZKE-CYBMUJFWSA-N -1 1 287.363 3.192 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@@H](C)c2ccccc2F)c([O-])c1 ZINC000358623290 233168592 /nfs/dbraw/zinc/16/85/92/233168592.db2.gz CKDZRWZILWHDQV-NSHDSACASA-N -1 1 288.322 3.068 20 0 CGADMM Cc1cnc(C(=O)N(C)Cc2ccccc2Cl)c([O-])c1 ZINC000358741188 233186676 /nfs/dbraw/zinc/18/66/76/233186676.db2.gz NJCXPNFYJXOGBK-UHFFFAOYSA-N -1 1 290.750 3.021 20 0 CGADMM Cc1cnc(C(=O)N2CCC3(CCCCC3)CC2)c([O-])c1 ZINC000358635163 233171333 /nfs/dbraw/zinc/17/13/33/233171333.db2.gz RLLOIIWSXIMQGH-UHFFFAOYSA-N -1 1 288.391 3.282 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H](C2CCC2)C1 ZINC000620206944 349338673 /nfs/dbraw/zinc/33/86/73/349338673.db2.gz UFWDKWRPAJVOJW-CYBMUJFWSA-N -1 1 277.339 3.184 20 0 CGADMM CO[C@@H](C)CN(Cc1cc(O)ccc1Cl)C(C)C ZINC000625181709 350137590 /nfs/dbraw/zinc/13/75/90/350137590.db2.gz BDILJUFWVKQDSR-NSHDSACASA-N -1 1 271.788 3.291 20 0 CGADMM C[C@@H](CC(=O)Nc1c([O-])cccc1F)C(F)(F)F ZINC000626277275 350291125 /nfs/dbraw/zinc/29/11/25/350291125.db2.gz MGZJYOXOYNGZRJ-LURJTMIESA-N -1 1 265.206 3.058 20 0 CGADMM CC(C)(CC(=O)Nc1cccc(F)c1[O-])C(F)(F)F ZINC000628960083 350625772 /nfs/dbraw/zinc/62/57/72/350625772.db2.gz RIYKFEIHYPEISM-UHFFFAOYSA-N -1 1 279.233 3.448 20 0 CGADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H]1CC12CCCC2 ZINC000629376257 350683554 /nfs/dbraw/zinc/68/35/54/350683554.db2.gz TWMQEBICRYJSEY-CQSZACIVSA-N -1 1 297.358 3.097 20 0 CGADMM O=C(CCCC1CC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629379578 350685168 /nfs/dbraw/zinc/68/51/68/350685168.db2.gz FITYYXVQCAYDEO-UHFFFAOYSA-N -1 1 285.347 3.097 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cc(Cl)ccn2)n1 ZINC000631018010 350925096 /nfs/dbraw/zinc/92/50/96/350925096.db2.gz DJHGLHVRVBVNFZ-UHFFFAOYSA-N -1 1 281.768 3.085 20 0 CGADMM Cc1nc(SCc2ccncc2)[n-]c(=O)c1C1CC1 ZINC000631025075 350927658 /nfs/dbraw/zinc/92/76/58/350927658.db2.gz OMFJSKIBDKRLMZ-UHFFFAOYSA-N -1 1 273.361 3.055 20 0 CGADMM Cc1nc(SC[C@H]2CCC(C)(C)O2)[n-]c(=O)c1C1CC1 ZINC000631024600 350927831 /nfs/dbraw/zinc/92/78/31/350927831.db2.gz WQCJDAWVRJXTDP-LLVKDONJSA-N -1 1 294.420 3.418 20 0 CGADMM C[C@@H](N(C)C(=O)Cc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000630692078 350870904 /nfs/dbraw/zinc/87/09/04/350870904.db2.gz OZRRCUCSWRHOJP-SNVBAGLBSA-N -1 1 283.799 3.481 20 0 CGADMM CCN(CC(C)C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630709283 350876607 /nfs/dbraw/zinc/87/66/07/350876607.db2.gz SHHHYUKVNMFTOU-UHFFFAOYSA-N -1 1 269.772 3.093 20 0 CGADMM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631643286 351102590 /nfs/dbraw/zinc/10/25/90/351102590.db2.gz JMGYGGHTKHCYNJ-SECBINFHSA-N -1 1 295.351 3.320 20 0 CGADMM C[C@@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@@H](C)[C@H]1C ZINC000633465066 351308833 /nfs/dbraw/zinc/30/88/33/351308833.db2.gz YUSYARMMEYULAS-VWYCJHECSA-N -1 1 281.783 3.091 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC12CCC(CC1)CC2 ZINC000633321931 351279500 /nfs/dbraw/zinc/27/95/00/351279500.db2.gz OJWYVSQROKMIAG-UHFFFAOYSA-N -1 1 293.794 3.427 20 0 CGADMM C[C@@H](COc1ccccc1)n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634629161 351551695 /nfs/dbraw/zinc/55/16/95/351551695.db2.gz OBDXVWQMQQPCJG-VNHYZAJKSA-N -1 1 286.375 3.088 20 0 CGADMM CCc1[n-]n(-c2ccc(Cl)cn2)c(=O)c1C(C)C ZINC000634593350 351529526 /nfs/dbraw/zinc/52/95/26/351529526.db2.gz MFUKXFMFYQCCID-GFCCVEGCSA-N -1 1 265.744 3.120 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3cccc(C(F)(F)F)c3)c(=O)c21 ZINC000634593327 351529798 /nfs/dbraw/zinc/52/97/98/351529798.db2.gz LRFPRXRXCOQPBC-PRHODGIISA-N -1 1 282.265 3.454 20 0 CGADMM CC(C)c1c(Cc2ccccc2)[n-]n(C(C)C)c1=O ZINC000634594864 351530886 /nfs/dbraw/zinc/53/08/86/351530886.db2.gz JERKFGCPXCILHL-HNNXBMFYSA-N -1 1 258.365 3.108 20 0 CGADMM O=c1c2c([n-]n1Cc1cc(F)ccc1F)CCCCC2 ZINC000634596340 351531752 /nfs/dbraw/zinc/53/17/52/351531752.db2.gz CYKNGOAFTPTFPX-GFCCVEGCSA-N -1 1 278.302 3.243 20 0 CGADMM Cc1[n-]n(-c2nccc3sccc32)c(=O)c1C1CC1 ZINC000634596472 351533342 /nfs/dbraw/zinc/53/33/42/351533342.db2.gz HMJGONIFBABAQZ-LBPRGKRZSA-N -1 1 271.345 3.045 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3cccc(Cl)c3)c(=O)c2C1 ZINC000634604874 351538244 /nfs/dbraw/zinc/53/82/44/351538244.db2.gz VKZBYZONQLSCQO-MFKMUULPSA-N -1 1 276.767 3.474 20 0 CGADMM CCc1c(C)[n-]n(-c2nc3ccccc3cc2C)c1=O ZINC000634615388 351545034 /nfs/dbraw/zinc/54/50/34/351545034.db2.gz GMJGWIOAUXTLEH-ZDUSSCGKSA-N -1 1 267.332 3.292 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(Br)c(F)c2)c1=O ZINC000634616666 351545627 /nfs/dbraw/zinc/54/56/27/351545627.db2.gz TUBLFKNJRINZAZ-SECBINFHSA-N -1 1 299.143 3.337 20 0 CGADMM CCc1c(=O)n(-c2ccnc(C(F)(F)F)c2)[n-]c1C(C)C ZINC000634618430 351546171 /nfs/dbraw/zinc/54/61/71/351546171.db2.gz QMUOABXLXNAKDZ-JTQLQIEISA-N -1 1 299.296 3.485 20 0 CGADMM CCCc1c(C)[n-]n([C@@H](C)COc2ccccc2)c1=O ZINC000634629078 351551162 /nfs/dbraw/zinc/55/11/62/351551162.db2.gz MGPZMTUULFVMFZ-SWLSCSKDSA-N -1 1 274.364 3.088 20 0 CGADMM O=C(Nc1cscc1Cl)c1csc(=NC2CC2)[n-]1 ZINC000636438392 351761584 /nfs/dbraw/zinc/76/15/84/351761584.db2.gz XAJPZMWQABQYAY-UHFFFAOYSA-N -1 1 299.808 3.107 20 0 CGADMM CC[C@H](NC(=O)c1c([O-])cccc1F)c1nc(C)cs1 ZINC000123374358 187087934 /nfs/dbraw/zinc/08/79/34/187087934.db2.gz CMZIHMALCYHQRL-JTQLQIEISA-N -1 1 294.351 3.177 20 0 CGADMM CCSCc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000339903393 215387453 /nfs/dbraw/zinc/38/74/53/215387453.db2.gz RCTXZFBQEUPXCQ-UHFFFAOYSA-N -1 1 288.372 3.293 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2nnc(C(C)C)s2)no1 ZINC000152823743 188046578 /nfs/dbraw/zinc/04/65/78/188046578.db2.gz QZHSGPPEZOZZBM-UHFFFAOYSA-N -1 1 280.353 3.025 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1c(F)ccc(F)c1OC ZINC000154081825 188121528 /nfs/dbraw/zinc/12/15/28/188121528.db2.gz PXKQUILQVUPDAP-UHFFFAOYSA-N -1 1 296.273 3.085 20 0 CGADMM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000154962155 188172582 /nfs/dbraw/zinc/17/25/82/188172582.db2.gz YNJIXOXAYUXEKG-PWSUYJOCSA-N -1 1 297.395 3.325 20 0 CGADMM CN(CC1CCOCC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000107066013 138356456 /nfs/dbraw/zinc/35/64/56/138356456.db2.gz RGLADEWZCQXSLM-UHFFFAOYSA-N -1 1 299.370 3.044 20 0 CGADMM Cc1ccc([C@@H](NCc2cc(F)ccc2F)C(=O)[O-])cc1 ZINC000426709967 236307252 /nfs/dbraw/zinc/30/72/52/236307252.db2.gz TXMNUTOWJCJVDE-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM COc1cc(C(=O)N2CC(C)=C[C@H](C)C2)cc(Cl)c1[O-] ZINC000336191932 213011623 /nfs/dbraw/zinc/01/16/23/213011623.db2.gz BHFMJLNZHCTMBP-VIFPVBQESA-N -1 1 295.766 3.092 20 0 CGADMM O=C(NC1(C(F)F)CC1)c1cc2ccccc2cc1[O-] ZINC000436514113 237118745 /nfs/dbraw/zinc/11/87/45/237118745.db2.gz QUVZUSWONJDNHL-UHFFFAOYSA-N -1 1 277.270 3.073 20 0 CGADMM O=C(Nc1cc2c(cn1)CCCC2)c1cc(F)ccc1[O-] ZINC000436656674 237152455 /nfs/dbraw/zinc/15/24/55/237152455.db2.gz NMRGKXRQXTZXSC-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM O=C(N[C@H]1C=CCCC1)c1cc2ccccc2cc1[O-] ZINC000436585151 237135383 /nfs/dbraw/zinc/13/53/83/237135383.db2.gz IUNKUIMQILJNLJ-AWEZNQCLSA-N -1 1 267.328 3.384 20 0 CGADMM C[C@H]1N(C(=O)c2cc3ccccc3cc2[O-])CCOC1(C)C ZINC000436596584 237141475 /nfs/dbraw/zinc/14/14/75/237141475.db2.gz MUPVRESZNLZSEG-GFCCVEGCSA-N -1 1 299.370 3.185 20 0 CGADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc2ccccc2c1[O-] ZINC000436820891 237185678 /nfs/dbraw/zinc/18/56/78/237185678.db2.gz IPIBVMDQXUSCTG-AGGWBTHJSA-N -1 1 267.328 3.074 20 0 CGADMM O=C(NCC1CC(c2ccccc2)C1)c1c([O-])cccc1F ZINC000436721646 237168021 /nfs/dbraw/zinc/16/80/21/237168021.db2.gz MLVRVHVCWLKGBW-UHFFFAOYSA-N -1 1 299.345 3.455 20 0 CGADMM O=C(N[C@H](c1cccs1)C1CC1)c1cc(F)ccc1[O-] ZINC000436753348 237175945 /nfs/dbraw/zinc/17/59/45/237175945.db2.gz CRKGOLWHSRJCBN-AWEZNQCLSA-N -1 1 291.347 3.474 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])[C@H]2CCCC[C@H]12 ZINC000180530077 189260258 /nfs/dbraw/zinc/26/02/58/189260258.db2.gz XQYCWRWMZVWPDO-QKCSRTOESA-N -1 1 277.339 3.182 20 0 CGADMM CC(C)CC[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000181093649 189288335 /nfs/dbraw/zinc/28/83/35/189288335.db2.gz PKMZOKVGORPBPK-JTQLQIEISA-N -1 1 253.317 3.086 20 0 CGADMM Cc1nc(SC[C@H]2CCCC2(F)F)[n-]c(=O)c1C ZINC000450906680 240148796 /nfs/dbraw/zinc/14/87/96/240148796.db2.gz PWKXYKCPCHQERR-SECBINFHSA-N -1 1 274.336 3.327 20 0 CGADMM CCC(C)(CC)[N-]S(=O)(=O)c1sccc1Cl ZINC000451181201 240240132 /nfs/dbraw/zinc/24/01/32/240240132.db2.gz DUKNBDXXGOPIQM-UHFFFAOYSA-N -1 1 281.830 3.259 20 0 CGADMM C[C@H]([N-]S(=O)(=O)c1sccc1Cl)C1CCCC1 ZINC000451189259 240240703 /nfs/dbraw/zinc/24/07/03/240240703.db2.gz IYSDQIFVDVJXBV-QMMMGPOBSA-N -1 1 293.841 3.259 20 0 CGADMM CC[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCCO1 ZINC000335528146 212220752 /nfs/dbraw/zinc/22/07/52/212220752.db2.gz NKVMQNIGHDYDMH-OAHLLOKOSA-N -1 1 299.370 3.187 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2cccc(F)c2)[n-]1 ZINC000470456772 242723378 /nfs/dbraw/zinc/72/33/78/242723378.db2.gz SFIWVSKZOXOQDY-UHFFFAOYSA-N -1 1 276.336 3.491 20 0 CGADMM CCCN(CCC)C(=O)c1cc(Cl)ccc1[O-] ZINC000019837752 368770648 /nfs/dbraw/zinc/77/06/48/368770648.db2.gz FJVQSTKRCXUMQL-UHFFFAOYSA-N -1 1 255.745 3.308 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(F)cc2C)c([O-])c1 ZINC000019840175 368771785 /nfs/dbraw/zinc/77/17/85/368771785.db2.gz WTTYAYGJUWMIEO-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM Cc1nc(S[C@H](C)c2nc(C(C)C)no2)[n-]c(=O)c1C ZINC000330703207 203133572 /nfs/dbraw/zinc/13/35/72/203133572.db2.gz ILUPVWZJBIRKGQ-SECBINFHSA-N -1 1 294.380 3.159 20 0 CGADMM CC(C)(C)/C=C\C(=O)Nc1ccc([O-])c(F)c1F ZINC000493723190 244219463 /nfs/dbraw/zinc/21/94/63/244219463.db2.gz LHXLSNVLYNUJHM-SREVYHEPSA-N -1 1 255.264 3.211 20 0 CGADMM Cc1cnc(C(=O)N(C)CCC2CCCCC2)c([O-])c1 ZINC000330894712 203363189 /nfs/dbraw/zinc/36/31/89/203363189.db2.gz ZZJIUXGKYUCXOP-UHFFFAOYSA-N -1 1 276.380 3.138 20 0 CGADMM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1ncccc1[O-] ZINC000062017825 369614686 /nfs/dbraw/zinc/61/46/86/369614686.db2.gz WKJBWQWGYHXLRD-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM Cc1cccc(C(C)C)c1NC(=O)c1cncc([O-])c1 ZINC000082323897 370002876 /nfs/dbraw/zinc/00/28/76/370002876.db2.gz JKNWCJPZWZRSBJ-UHFFFAOYSA-N -1 1 270.332 3.471 20 0 CGADMM CSc1ccc(C(=O)[N-]c2nnc(C(F)F)s2)o1 ZINC000112239797 370416565 /nfs/dbraw/zinc/41/65/65/370416565.db2.gz UCLWJWHWCJLGHH-UHFFFAOYSA-N -1 1 291.304 3.043 20 0 CGADMM Cc1cccc(CNC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000130317066 371024949 /nfs/dbraw/zinc/02/49/49/371024949.db2.gz OBORILQDNXXXCU-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM Cc1cccc(Cc2noc(-c3cc(F)ccc3[O-])n2)c1 ZINC000132987471 371218090 /nfs/dbraw/zinc/21/80/90/371218090.db2.gz GHNKVYCXDMHNKK-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM CCCOc1ccc(-c2nc(=O)c3sccc3[n-]2)cc1 ZINC000133825970 371281397 /nfs/dbraw/zinc/28/13/97/371281397.db2.gz KANHUZZYIXAOHJ-UHFFFAOYSA-N -1 1 286.356 3.440 20 0 CGADMM O=C(Nc1cc(Cl)ccc1O)c1cccc2nc[nH]c21 ZINC000156222152 371968727 /nfs/dbraw/zinc/96/87/27/371968727.db2.gz HQQFHIJJUMDVLH-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM FC(F)(F)c1csc(=N[C@@H]2CC23CCCC3)[n-]1 ZINC000428683540 372251040 /nfs/dbraw/zinc/25/10/40/372251040.db2.gz UDGVTHRORWZQEB-SSDOTTSWSA-N -1 1 262.300 3.328 20 0 CGADMM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000293469699 372390639 /nfs/dbraw/zinc/39/06/39/372390639.db2.gz UTEFOKGLSBEZHU-GXFFZTMASA-N -1 1 283.755 3.189 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC2(CCC2)C1 ZINC000163119093 372447874 /nfs/dbraw/zinc/44/78/74/372447874.db2.gz BSIGLPVSMUKMDB-UHFFFAOYSA-N -1 1 265.740 3.062 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CC(C2CCCCC2)C1 ZINC000293982680 372545999 /nfs/dbraw/zinc/54/59/99/372545999.db2.gz CBCQVWDFUJMCDQ-UHFFFAOYSA-N -1 1 295.329 3.323 20 0 CGADMM CC(C)OCCCN(C)Cc1cccc(O)c1Cl ZINC000295453718 372787364 /nfs/dbraw/zinc/78/73/64/372787364.db2.gz VJNBEBNSCQKUEU-UHFFFAOYSA-N -1 1 271.788 3.293 20 0 CGADMM O=C(NC[C@@H]1CCCCC1(F)F)c1c([O-])cccc1F ZINC000295492379 372801639 /nfs/dbraw/zinc/80/16/39/372801639.db2.gz SHRSWDDIMCQTQE-VIFPVBQESA-N -1 1 287.281 3.087 20 0 CGADMM CC(C)[C@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000444518116 373196083 /nfs/dbraw/zinc/19/60/83/373196083.db2.gz CDJCMPPDHLHQPV-NSHDSACASA-N -1 1 265.328 3.040 20 0 CGADMM O=C(Nc1ccncc1[O-])c1csc(-c2ccccc2)n1 ZINC000109889145 284383651 /nfs/dbraw/zinc/38/36/51/284383651.db2.gz CLZYBLLTWXFVHE-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM CC(C)(C)c1nnc([N-]C(=O)c2ccc(Cl)o2)s1 ZINC000298835888 373417110 /nfs/dbraw/zinc/41/71/10/373417110.db2.gz BZUQLKDCHZWWEH-UHFFFAOYSA-N -1 1 285.756 3.334 20 0 CGADMM O=C(Cc1csc2ccccc12)[N-]O[C@@H]1CCCCO1 ZINC000299724968 373605537 /nfs/dbraw/zinc/60/55/37/373605537.db2.gz ZUAAQCSQZDLQHE-OAHLLOKOSA-N -1 1 291.372 3.018 20 0 CGADMM CCCCN(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301177817 373683719 /nfs/dbraw/zinc/68/37/19/373683719.db2.gz MXCZBIHWZDVCFN-UHFFFAOYSA-N -1 1 286.379 3.097 20 0 CGADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(F)(F)F ZINC000289548480 197398497 /nfs/dbraw/zinc/39/84/97/197398497.db2.gz OPQHXPXUBPIADJ-GSVOUGTGSA-N -1 1 274.214 3.163 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCc2c1cc(F)cc2F ZINC000179443986 373874439 /nfs/dbraw/zinc/87/44/39/373874439.db2.gz JVXQUDNQZQYLEA-UHFFFAOYSA-N -1 1 293.244 3.012 20 0 CGADMM CC(C)(C)Cc1cc(NC(=O)c2ccc([O-])cc2F)n[nH]1 ZINC000181236177 374096898 /nfs/dbraw/zinc/09/68/98/374096898.db2.gz SNXTZMJSLAWUFJ-UHFFFAOYSA-N -1 1 291.326 3.095 20 0 CGADMM O=C(NCCC1CCOCC1)c1cc2ccccc2cc1[O-] ZINC000320629155 374351109 /nfs/dbraw/zinc/35/11/09/374351109.db2.gz FXJWYBFSARAFKQ-UHFFFAOYSA-N -1 1 299.370 3.092 20 0 CGADMM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000331183262 374511941 /nfs/dbraw/zinc/51/19/41/374511941.db2.gz IHURGTJYAAPRQE-OLZOCXBDSA-N -1 1 276.380 3.136 20 0 CGADMM O=S(=O)(Cc1ccc(C(F)F)cc1)c1ccc([O-])cc1 ZINC000185492657 374672731 /nfs/dbraw/zinc/67/27/31/374672731.db2.gz OBBYDZSTLCWVHX-UHFFFAOYSA-N -1 1 298.310 3.304 20 0 CGADMM Cc1cscc1C(=O)Nc1ccc(F)cc1[O-] ZINC000334251771 206256993 /nfs/dbraw/zinc/25/69/93/206256993.db2.gz IRSSZRPOARBJCI-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM C[C@H]1CCCN(Cc2cc3cc(F)ccc3o2)[C@H]1C(=O)[O-] ZINC000334575934 374876024 /nfs/dbraw/zinc/87/60/24/374876024.db2.gz CEUXJPHYTSXVIV-ZUZCIYMTSA-N -1 1 291.322 3.257 20 0 CGADMM CC(C)CCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463704882 374846621 /nfs/dbraw/zinc/84/66/21/374846621.db2.gz RFUWZALKWQDCRD-UHFFFAOYSA-N -1 1 293.791 3.194 20 0 CGADMM C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335214337 375234903 /nfs/dbraw/zinc/23/49/03/375234903.db2.gz FYKLIYATFNBCHO-RKDXNWHRSA-N -1 1 267.275 3.211 20 0 CGADMM CCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000335814778 375453096 /nfs/dbraw/zinc/45/30/96/375453096.db2.gz HFKXLVPIAJEURZ-UHFFFAOYSA-N -1 1 278.533 3.157 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2cc(F)ccc21 ZINC000336002823 375609735 /nfs/dbraw/zinc/60/97/35/375609735.db2.gz GZXCCDVXMPZNOU-UHFFFAOYSA-N -1 1 293.244 3.012 20 0 CGADMM Cc1sccc1CC(=O)Nc1ccc(F)cc1[O-] ZINC000336043642 375642898 /nfs/dbraw/zinc/64/28/98/375642898.db2.gz VMITVNHURVDDPU-UHFFFAOYSA-N -1 1 265.309 3.082 20 0 CGADMM CCCc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000193316436 375859117 /nfs/dbraw/zinc/85/91/17/375859117.db2.gz BGIPBYDSFSNFAD-UHFFFAOYSA-N -1 1 271.316 3.303 20 0 CGADMM Cc1nc(SCCCOc2ccccc2)[n-]c(=O)c1C ZINC000540717563 376392817 /nfs/dbraw/zinc/39/28/17/376392817.db2.gz MRRRAIBGCARXNX-UHFFFAOYSA-N -1 1 290.388 3.360 20 0 CGADMM C[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)n1cccc1 ZINC000541888145 376491237 /nfs/dbraw/zinc/49/12/37/376491237.db2.gz UCEWFZASGWILIU-SNVBAGLBSA-N -1 1 278.739 3.437 20 0 CGADMM COc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000135067660 542086277 /nfs/dbraw/zinc/08/62/77/542086277.db2.gz JAHBGAOBJRSHOQ-UWVGGRQHSA-N -1 1 297.782 3.457 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000340330070 377006673 /nfs/dbraw/zinc/00/66/73/377006673.db2.gz NYBUZUOJBVJTHR-QWHCGFSZSA-N -1 1 289.281 3.413 20 0 CGADMM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(F)cc1[O-] ZINC000340330858 377008234 /nfs/dbraw/zinc/00/82/34/377008234.db2.gz QFPCBVQMCYRTCO-SECBINFHSA-N -1 1 293.269 3.076 20 0 CGADMM CC(C)([N-]S(=O)(=O)c1cc2ccccc2o1)C1CCC1 ZINC000562735468 377353330 /nfs/dbraw/zinc/35/33/30/377353330.db2.gz VMASRGRZZUYCLN-UHFFFAOYSA-N -1 1 293.388 3.290 20 0 CGADMM O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)c1cncc([O-])c1 ZINC000562744552 377355931 /nfs/dbraw/zinc/35/59/31/377355931.db2.gz YPYAIBMXGFJOME-RHSMWYFYSA-N -1 1 296.370 3.101 20 0 CGADMM CCOc1cc(F)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094017346 249038715 /nfs/dbraw/zinc/03/87/15/249038715.db2.gz HSISNMNBPGGTRV-UHFFFAOYSA-N -1 1 293.269 3.321 20 0 CGADMM COCC[C@H](Sc1ncc(C)c(=O)[n-]1)c1ccccc1 ZINC000573743937 377570958 /nfs/dbraw/zinc/57/09/58/377570958.db2.gz VZSFLXCKJWSTIE-ZDUSSCGKSA-N -1 1 290.388 3.361 20 0 CGADMM C[C@H]1CC[C@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1 ZINC000516586117 249238153 /nfs/dbraw/zinc/23/81/53/249238153.db2.gz HLGHMOAZSSWILT-WPRPVWTQSA-N -1 1 250.367 3.340 20 0 CGADMM O=C([O-])c1coc(CN2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000574921708 377725603 /nfs/dbraw/zinc/72/56/03/377725603.db2.gz KXOAAOJVPKGKJY-HNNXBMFYSA-N -1 1 289.306 3.454 20 0 CGADMM CC(C)CSCCCN=c1nc(C(F)(F)F)[n-]s1 ZINC000342733805 377762108 /nfs/dbraw/zinc/76/21/08/377762108.db2.gz YQZYIQMTZQHZCY-UHFFFAOYSA-N -1 1 299.387 3.170 20 0 CGADMM C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C)(C)C ZINC000343013963 377881860 /nfs/dbraw/zinc/88/18/60/377881860.db2.gz NXCOHRHNWNKJPZ-SNVBAGLBSA-N -1 1 287.363 3.403 20 0 CGADMM Cc1cc(F)c(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000263109444 377919081 /nfs/dbraw/zinc/91/90/81/377919081.db2.gz YHZRKIWGWZKRDL-QWRGUYRKSA-N -1 1 299.773 3.330 20 0 CGADMM Cc1cc(F)c(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000263109439 377919396 /nfs/dbraw/zinc/91/93/96/377919396.db2.gz YHZRKIWGWZKRDL-GHMZBOCLSA-N -1 1 299.773 3.330 20 0 CGADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccccc2)s1 ZINC000263429453 377935326 /nfs/dbraw/zinc/93/53/26/377935326.db2.gz RRGDIMRMEAQEPR-LLVKDONJSA-N -1 1 275.373 3.320 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccsc1Cl ZINC000263494048 377940840 /nfs/dbraw/zinc/94/08/40/377940840.db2.gz JDEQYWDVAQNCBG-WCBMZHEXSA-N -1 1 273.785 3.087 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1F ZINC000263509156 377942759 /nfs/dbraw/zinc/94/27/59/377942759.db2.gz MXARRKJEWPLMES-KOLCDFICSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1nc(-c2ccc(N[C@H]3CC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000343808357 378099919 /nfs/dbraw/zinc/09/99/19/378099919.db2.gz NXOPPZMWSKUDIN-ZANVPECISA-N -1 1 284.363 3.071 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2c(F)ccc([O-])c2F)C[C@H]1C ZINC000579776241 378193356 /nfs/dbraw/zinc/19/33/56/378193356.db2.gz CUJMKOOBXKJNOE-BBBLOLIVSA-N -1 1 283.318 3.225 20 0 CGADMM C[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271917862 378516488 /nfs/dbraw/zinc/51/64/88/378516488.db2.gz BKKBLJUPYGBDLJ-QMMMGPOBSA-N -1 1 273.254 3.036 20 0 CGADMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000271920365 378518309 /nfs/dbraw/zinc/51/83/09/378518309.db2.gz BUWALCOLMLAXCC-UHFFFAOYSA-N -1 1 273.254 3.036 20 0 CGADMM CC[C@H]1C[C@H](CC(=O)Nc2ccc(F)cc2[O-])CCO1 ZINC000272889400 378718106 /nfs/dbraw/zinc/71/81/06/378718106.db2.gz WONKGDXOJNYAGO-PWSUYJOCSA-N -1 1 281.327 3.065 20 0 CGADMM CCC[C@H](C)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000639150507 379075727 /nfs/dbraw/zinc/07/57/27/379075727.db2.gz WLMCOKMUUXKHEY-VIFPVBQESA-N -1 1 285.771 3.363 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3Cc4ccccc4O3)n2)cc1F ZINC000373170493 379235839 /nfs/dbraw/zinc/23/58/39/379235839.db2.gz ORKITJYYZJPEBS-AWEZNQCLSA-N -1 1 298.273 3.258 20 0 CGADMM [O-]c1ccc(-c2noc(CC[C@H]3CCCO3)n2)c(Cl)c1 ZINC000278073438 379289261 /nfs/dbraw/zinc/28/92/61/379289261.db2.gz FSJMSSNEWPORGV-SNVBAGLBSA-N -1 1 294.738 3.207 20 0 CGADMM CCC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCOCC1 ZINC000278143769 379302405 /nfs/dbraw/zinc/30/24/05/379302405.db2.gz LLYDUJDOXCWNFO-UHFFFAOYSA-N -1 1 292.310 3.040 20 0 CGADMM CCO[N-]C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000266938115 190291860 /nfs/dbraw/zinc/29/18/60/190291860.db2.gz PMBPTLQUYUNYDQ-SSDOTTSWSA-N -1 1 262.136 3.165 20 0 CGADMM CC1=C(C)CN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000280295454 379668009 /nfs/dbraw/zinc/66/80/09/379668009.db2.gz VAPRPORWNACLOV-UHFFFAOYSA-N -1 1 265.740 3.228 20 0 CGADMM CCCc1csc(NC(=O)c2cc(C(F)F)n[nH]2)n1 ZINC000640051140 379700571 /nfs/dbraw/zinc/70/05/71/379700571.db2.gz IYPUJRUKXHXXDN-UHFFFAOYSA-N -1 1 286.307 3.009 20 0 CGADMM CCN(C(=O)N=c1[n-]sc2ccccc21)C1CCC1 ZINC000640340778 379770843 /nfs/dbraw/zinc/77/08/43/379770843.db2.gz OEDMEZTUNNZVIF-UHFFFAOYSA-N -1 1 275.377 3.125 20 0 CGADMM CO[C@H]([C@H](C)NC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000388315562 379886509 /nfs/dbraw/zinc/88/65/09/379886509.db2.gz UVTXKQRODPAZKD-APPDUMDISA-N -1 1 299.370 3.089 20 0 CGADMM CC1(C)CCC[C@H]1CN=c1nc(C(F)(F)F)[n-]s1 ZINC000389009567 379892019 /nfs/dbraw/zinc/89/20/19/379892019.db2.gz SEKVSWQUGOHDNI-ZETCQYMHSA-N -1 1 279.331 3.217 20 0 CGADMM COCC1(C)CC[NH+](Cc2cccc([O-])c2Cl)CC1 ZINC000352840779 379997349 /nfs/dbraw/zinc/99/73/49/379997349.db2.gz XLSYHZCFWMRYFO-UHFFFAOYSA-N -1 1 283.799 3.294 20 0 CGADMM CC(C)c1ncc(CNCc2ccc(C(=O)[O-])cc2)s1 ZINC000414686672 380372436 /nfs/dbraw/zinc/37/24/36/380372436.db2.gz VQYVZSGJRMWYHU-UHFFFAOYSA-N -1 1 290.388 3.255 20 0 CGADMM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1cncc([O-])c1 ZINC000354698016 380528852 /nfs/dbraw/zinc/52/88/52/380528852.db2.gz PCCYRVOKUIKVQJ-SJCJKPOMSA-N -1 1 296.370 3.231 20 0 CGADMM CCN(C(=O)c1cncc([O-])c1)c1cc(C)cc(C)c1 ZINC000279156564 194308399 /nfs/dbraw/zinc/30/83/99/194308399.db2.gz FVZHQLVXZIZDHP-UHFFFAOYSA-N -1 1 270.332 3.071 20 0 CGADMM O=C(Nc1ccccc1OC1CCCC1)c1cncc([O-])c1 ZINC000279195617 194327535 /nfs/dbraw/zinc/32/75/35/194327535.db2.gz KFTJKFCGMZBHAH-UHFFFAOYSA-N -1 1 298.342 3.361 20 0 CGADMM O=C(c1ncccc1[O-])N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000334831211 207152795 /nfs/dbraw/zinc/15/27/95/207152795.db2.gz MCOYRKWNYKTGQL-GFCCVEGCSA-N -1 1 288.734 3.028 20 0 CGADMM COc1ccccc1[C@@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC000436929067 532966601 /nfs/dbraw/zinc/96/66/01/532966601.db2.gz ULCISYXNYLCFPO-SNVBAGLBSA-N -1 1 289.306 3.031 20 0 CGADMM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cncc([O-])c2)C1 ZINC000286219164 542391778 /nfs/dbraw/zinc/39/17/78/542391778.db2.gz CXINJYOJPCGBHE-MLGOLLRUSA-N -1 1 282.343 3.011 20 0 CGADMM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ncccc2[O-])C1 ZINC000286347371 542392696 /nfs/dbraw/zinc/39/26/96/542392696.db2.gz MIJGRUMPRZLDAB-GXTWGEPZSA-N -1 1 282.343 3.011 20 0 CGADMM CC(=O)[C@@H]1C[C@@H](CC(=O)Nc2ccc(F)cc2[O-])C1(C)C ZINC000353868762 220377178 /nfs/dbraw/zinc/37/71/78/220377178.db2.gz GPVCSFYGSPIISJ-JQWIXIFHSA-N -1 1 293.338 3.111 20 0 CGADMM CO[C@H]1CCC[C@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000436606385 533245098 /nfs/dbraw/zinc/24/50/98/533245098.db2.gz MNDBCYVCZYGPFJ-BBRMVZONSA-N -1 1 299.370 3.090 20 0 CGADMM C[C@@H](CCNC(=O)C(=O)c1ccc([O-])cc1)CC(C)(C)C ZINC000436561231 533592442 /nfs/dbraw/zinc/59/24/42/533592442.db2.gz GZRVMFASWJXUOZ-LBPRGKRZSA-N -1 1 291.391 3.154 20 0 CGADMM O=C(NCc1ccc(F)cc1F)c1ccc(Cl)cc1[O-] ZINC000055464007 392099515 /nfs/dbraw/zinc/09/95/15/392099515.db2.gz IGAVKTFLPHZFSY-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM CC(C)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000109477439 392357914 /nfs/dbraw/zinc/35/79/14/392357914.db2.gz LKIAFKOHAKPXON-LBPRGKRZSA-N -1 1 267.756 3.306 20 0 CGADMM CCCC[C@@H](N=c1nc([C@@H](C)OC)[n-]s1)C1CCC1 ZINC000509578144 392759366 /nfs/dbraw/zinc/75/93/66/392759366.db2.gz FKCMLDIRJYIQBL-ZYHUDNBSSA-N -1 1 283.441 3.438 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000647815825 392808757 /nfs/dbraw/zinc/80/87/57/392808757.db2.gz MYKHKVQMWAMFSK-UHFFFAOYSA-N -1 1 285.303 3.039 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000647815679 392809031 /nfs/dbraw/zinc/80/90/31/392809031.db2.gz HGTNROYSBDHBTL-UHFFFAOYSA-N -1 1 299.374 3.336 20 0 CGADMM CCOc1cc(C)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000194175920 392906146 /nfs/dbraw/zinc/90/61/46/392906146.db2.gz JBZXMGZRAHGNRE-UHFFFAOYSA-N -1 1 287.315 3.057 20 0 CGADMM COc1ccc(NC(=O)c2ccccc2[O-])c2cccnc12 ZINC000195645359 392972741 /nfs/dbraw/zinc/97/27/41/392972741.db2.gz AHBOBOUVHHGILI-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000547387409 393110474 /nfs/dbraw/zinc/11/04/74/393110474.db2.gz RTXBNLKDCIPWLV-LLVKDONJSA-N -1 1 293.388 3.290 20 0 CGADMM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000649066804 393342076 /nfs/dbraw/zinc/34/20/76/393342076.db2.gz LQGVAMIUDJYJNC-STQMWFEESA-N -1 1 288.391 3.076 20 0 CGADMM O=C(/C=C\c1cscn1)Nc1ccc([O-])c(Cl)c1 ZINC000492494449 393744125 /nfs/dbraw/zinc/74/41/25/393744125.db2.gz ZNTRJGSOFQCIMK-RQOWECAXSA-N -1 1 280.736 3.154 20 0 CGADMM Cc1ccc(Cc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445482712 393799167 /nfs/dbraw/zinc/79/91/67/393799167.db2.gz UHJXGJYGUDNTJG-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000457297259 394342768 /nfs/dbraw/zinc/34/27/68/394342768.db2.gz SFGXLIUVIAIEIF-DZGCQCFKSA-N -1 1 265.328 3.086 20 0 CGADMM CN(CC1CCCC1)C(=O)c1ncc2ccccc2c1[O-] ZINC000667565931 542890051 /nfs/dbraw/zinc/89/00/51/542890051.db2.gz HVWNPMLEKHIGDA-UHFFFAOYSA-N -1 1 284.359 3.203 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCCC(F)(F)C1 ZINC000669713410 543121964 /nfs/dbraw/zinc/12/19/64/543121964.db2.gz PKGWQZSCRRIIRB-MRVPVSSYSA-N -1 1 273.254 3.295 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000671785022 543189731 /nfs/dbraw/zinc/18/97/31/543189731.db2.gz UDGHSQVPJOEBGW-HTQZYQBOSA-N -1 1 291.244 3.448 20 0 CGADMM CC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C1CCCCC1 ZINC000672836036 543228482 /nfs/dbraw/zinc/22/84/82/543228482.db2.gz BOSWODOVNDGSOK-OAHLLOKOSA-N -1 1 289.375 3.050 20 0 CGADMM O=c1c2c([n-]n1CCCc1ccccc1)CCCC2 ZINC000109351654 397653385 /nfs/dbraw/zinc/65/33/85/397653385.db2.gz DDIDQVPPHYDSDS-AWEZNQCLSA-N -1 1 256.349 3.008 20 0 CGADMM CCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000047214884 397630904 /nfs/dbraw/zinc/63/09/04/397630904.db2.gz CXCGEBWPTVFGMB-UHFFFAOYSA-N -1 1 275.373 3.358 20 0 CGADMM C[C@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C1CCC1 ZINC000649870382 397741215 /nfs/dbraw/zinc/74/12/15/397741215.db2.gz HDYXNBADWPRCSJ-VIFPVBQESA-N -1 1 297.351 3.039 20 0 CGADMM Cc1nc(-c2ccc(N3C[C@H](C)C[C@H]3C)nc2)[n-]c(=O)c1C ZINC000674932962 543308060 /nfs/dbraw/zinc/30/80/60/543308060.db2.gz UOWDTSPXTIGVHN-GHMZBOCLSA-N -1 1 298.390 3.096 20 0 CGADMM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000677204417 543440465 /nfs/dbraw/zinc/44/04/65/543440465.db2.gz IQEZQXDXKICSTP-QMMMGPOBSA-N -1 1 292.310 3.268 20 0 CGADMM Cc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])s1 ZINC000048194277 286902991 /nfs/dbraw/zinc/90/29/91/286902991.db2.gz NXNNMLWVIGFVGT-UHFFFAOYSA-N -1 1 281.764 3.346 20 0 CGADMM CC(C)CCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084936419 287081648 /nfs/dbraw/zinc/08/16/48/287081648.db2.gz PBRPTWYBUBAZGE-UHFFFAOYSA-N -1 1 281.377 3.147 20 0 CGADMM O=C(Cc1ccsc1)Nc1ccc([O-])c(Cl)c1 ZINC000082192976 165168263 /nfs/dbraw/zinc/16/82/63/165168263.db2.gz RINBBZGYCLYPMS-UHFFFAOYSA-N -1 1 267.737 3.288 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1C ZINC000091439001 165263684 /nfs/dbraw/zinc/26/36/84/165263684.db2.gz MFJSGDMXSKCIMA-TXEJJXNPSA-N -1 1 269.344 3.273 20 0 CGADMM COc1ccc(C(=O)Nc2ccccc2SC)c([O-])c1 ZINC000121260823 287195494 /nfs/dbraw/zinc/19/54/94/287195494.db2.gz CLCLGTDPPNTMIH-UHFFFAOYSA-N -1 1 289.356 3.375 20 0 CGADMM Cc1cc([C@@H](C)NC(=O)c2c([O-])cccc2F)c(C)o1 ZINC000121168600 287194099 /nfs/dbraw/zinc/19/40/99/287194099.db2.gz HLEUUFKOTFLSFL-SECBINFHSA-N -1 1 277.295 3.232 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000124044597 287228999 /nfs/dbraw/zinc/22/89/99/287228999.db2.gz VEQNFUGRVIRLHJ-UHFFFAOYSA-N -1 1 273.307 3.112 20 0 CGADMM C[C@H](C1CC1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000035207610 172052779 /nfs/dbraw/zinc/05/27/79/172052779.db2.gz GLLHXEVQKDMDMM-LLVKDONJSA-N -1 1 269.344 3.416 20 0 CGADMM CC(C)[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000035238926 172077466 /nfs/dbraw/zinc/07/74/66/172077466.db2.gz YADXMVVRXYRKRL-SECBINFHSA-N -1 1 255.745 3.162 20 0 CGADMM CCS[C@@H]1CCC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000128169324 287305017 /nfs/dbraw/zinc/30/50/17/287305017.db2.gz UEFSLVKRAVNXKZ-WDEREUQCSA-N -1 1 297.395 3.325 20 0 CGADMM CC[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@@H](C)CO1 ZINC000403901144 416550167 /nfs/dbraw/zinc/55/01/67/416550167.db2.gz VKZJJHGMWFLRRB-JSGCOSHPSA-N -1 1 299.370 3.185 20 0 CGADMM CC[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@H](C)CO1 ZINC000403901147 416550727 /nfs/dbraw/zinc/55/07/27/416550727.db2.gz VKZJJHGMWFLRRB-OCCSQVGLSA-N -1 1 299.370 3.185 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(Cl)c(F)c2)[n-]1 ZINC000118305134 416499177 /nfs/dbraw/zinc/49/91/77/416499177.db2.gz ZOYDAWRIGRXDAQ-UHFFFAOYSA-N -1 1 254.692 3.372 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1c[nH]c2cc(F)ccc12 ZINC000679173481 543597838 /nfs/dbraw/zinc/59/78/38/543597838.db2.gz IPECCDVTFOXDJF-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM CC1(NC(=O)c2ccc([O-])cc2F)CCC(F)(F)CC1 ZINC000680239146 543693911 /nfs/dbraw/zinc/69/39/11/543693911.db2.gz UKGBVGWMJDQNIF-UHFFFAOYSA-N -1 1 287.281 3.229 20 0 CGADMM CC(C)[C@H]1C[C@H](CC(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679812084 543661967 /nfs/dbraw/zinc/66/19/67/543661967.db2.gz IXFKSMYITYGESO-BXUZGUMPSA-N -1 1 295.354 3.311 20 0 CGADMM CCN(C(=O)c1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000681016727 543756840 /nfs/dbraw/zinc/75/68/40/543756840.db2.gz CNLIGHUDKJWXSV-UHFFFAOYSA-N -1 1 277.270 3.337 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc([O-])c(F)c2)o1 ZINC000681017767 543757950 /nfs/dbraw/zinc/75/79/50/543757950.db2.gz AWMUGOIHJJOCEN-SKDRFNHKSA-N -1 1 289.306 3.178 20 0 CGADMM CC(C)(C)CCCCNC(=O)c1ccc([O-])c(F)c1 ZINC000681042967 543759719 /nfs/dbraw/zinc/75/97/19/543759719.db2.gz WBKBVHIYCQMNAK-UHFFFAOYSA-N -1 1 267.344 3.478 20 0 CGADMM C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc([O-])c(F)c1 ZINC000681047233 543760422 /nfs/dbraw/zinc/76/04/22/543760422.db2.gz YDHWSBKYUOQCPX-RYUDHWBXSA-N -1 1 279.355 3.478 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000681057738 543762423 /nfs/dbraw/zinc/76/24/23/543762423.db2.gz BURPHZBRUKZSIG-MNOVXSKESA-N -1 1 265.328 3.040 20 0 CGADMM Cc1ccc(F)c(CN(C)C(=O)c2ccc([O-])c(F)c2)c1 ZINC000683502018 543918040 /nfs/dbraw/zinc/91/80/40/543918040.db2.gz FDIVVLNOXWUQRQ-UHFFFAOYSA-N -1 1 291.297 3.251 20 0 CGADMM COc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)nc1 ZINC000683078246 543893357 /nfs/dbraw/zinc/89/33/57/543893357.db2.gz CPRFMJOXZSNNPN-UHFFFAOYSA-N -1 1 293.710 3.093 20 0 CGADMM O=c1cc(C(F)F)nc(SCCc2ccccc2)[n-]1 ZINC000685575008 544085134 /nfs/dbraw/zinc/08/51/34/544085134.db2.gz YEIFOPXIYKEEIJ-UHFFFAOYSA-N -1 1 282.315 3.455 20 0 CGADMM Cc1oc(CN(C)Cc2ccc(F)c(C)c2)cc1C(=O)[O-] ZINC000652446426 418970248 /nfs/dbraw/zinc/97/02/48/418970248.db2.gz CCLFDKGAYJYJPX-UHFFFAOYSA-N -1 1 291.322 3.366 20 0 CGADMM CC(C)CN(CCC(=O)[O-])Cc1csc(C(C)C)n1 ZINC000652460317 418971246 /nfs/dbraw/zinc/97/12/46/418971246.db2.gz GIKHPBZLENEQGY-UHFFFAOYSA-N -1 1 284.425 3.199 20 0 CGADMM C[C@@H](c1ccco1)N(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000652389243 418959015 /nfs/dbraw/zinc/95/90/15/418959015.db2.gz HLYDKSPUHZWRNS-JTQLQIEISA-N -1 1 277.295 3.310 20 0 CGADMM Cc1ccc(CN(Cc2ccccc2C(=O)[O-])C2CC2)o1 ZINC000652387732 418960577 /nfs/dbraw/zinc/96/05/77/418960577.db2.gz PBIWUKXXLMHPIU-UHFFFAOYSA-N -1 1 285.343 3.451 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCSC12CCCCC2 ZINC000655064629 419018730 /nfs/dbraw/zinc/01/87/30/419018730.db2.gz YXYDCQGMLXRCCX-UHFFFAOYSA-N -1 1 295.379 3.381 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2ccccc2)cc1F ZINC000151460109 287514486 /nfs/dbraw/zinc/51/44/86/287514486.db2.gz NDKAPQQWVNHOPU-UHFFFAOYSA-N -1 1 279.336 3.189 20 0 CGADMM O=C([O-])[C@@H]1C[C@H]1c1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000657202938 419230677 /nfs/dbraw/zinc/23/06/77/419230677.db2.gz KASGBKNAORYCBF-VHSXEESVSA-N -1 1 296.248 3.284 20 0 CGADMM Cc1cnc(SCc2ncc(C(C)(C)C)o2)[n-]c1=O ZINC000657261608 419239061 /nfs/dbraw/zinc/23/90/61/419239061.db2.gz IWLHUPPGRBAZFZ-UHFFFAOYSA-N -1 1 279.365 3.068 20 0 CGADMM COc1ccc([C@@H](C)CSc2ncc(C)c(=O)[n-]2)cc1 ZINC000657261878 419239218 /nfs/dbraw/zinc/23/92/18/419239218.db2.gz OHLJVBPAIUNFQI-NSHDSACASA-N -1 1 290.388 3.395 20 0 CGADMM CCc1nc(SC[C@@H](OC)C2CCCC2)[n-]c(=O)c1C ZINC000657264132 419240183 /nfs/dbraw/zinc/24/01/83/419240183.db2.gz GBOZDHHMLNAFEB-CYBMUJFWSA-N -1 1 296.436 3.350 20 0 CGADMM O=C(NCc1cccc(Cl)c1)c1c([O-])cccc1F ZINC000228834657 270087904 /nfs/dbraw/zinc/08/79/04/270087904.db2.gz UPORGAWNUJSVRG-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000228855445 270088395 /nfs/dbraw/zinc/08/83/95/270088395.db2.gz SXVSHGZDYRVVRY-NXEZZACHSA-N -1 1 253.317 3.086 20 0 CGADMM CC(C)c1nc(=NCCc2cccc3ccccc32)o[n-]1 ZINC000522966987 270107465 /nfs/dbraw/zinc/10/74/65/270107465.db2.gz OFXLSZVCHCCJDJ-UHFFFAOYSA-N -1 1 281.359 3.423 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cc(F)ccc2[O-])o1 ZINC000531190230 270204908 /nfs/dbraw/zinc/20/49/08/270204908.db2.gz PVDWXPZUHHVXEH-BXKDBHETSA-N -1 1 289.306 3.178 20 0 CGADMM C[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C[C@H](C)O1 ZINC000246834885 287722148 /nfs/dbraw/zinc/72/21/48/287722148.db2.gz RTGJLXJFWPYOMT-ILWJIGKKSA-N -1 1 283.755 3.188 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)[C@H]2CCC[C@@H]21 ZINC000294722319 278323029 /nfs/dbraw/zinc/32/30/29/278323029.db2.gz LFNHWGPDDHLDQK-JSGCOSHPSA-N -1 1 277.339 3.182 20 0 CGADMM CC(C)(C)CN(Cc1ccccc1)C(=O)c1cncc([O-])c1 ZINC000339928997 278323776 /nfs/dbraw/zinc/32/37/76/278323776.db2.gz IYVSIRAKRIAFSA-UHFFFAOYSA-N -1 1 298.386 3.476 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000180704641 280181818 /nfs/dbraw/zinc/18/18/18/280181818.db2.gz USBKCSJSAWCQCK-AOOOYVTPSA-N -1 1 299.292 3.283 20 0 CGADMM O=C(NCC[C@@H]1CCCOC1)c1ccc2ccccc2c1[O-] ZINC000529601820 288270699 /nfs/dbraw/zinc/27/06/99/288270699.db2.gz OOLYOGCVWKRRHR-ZDUSSCGKSA-N -1 1 299.370 3.092 20 0 CGADMM Cc1oc(C(C)C)nc1C(=O)Nc1cccc(F)c1[O-] ZINC000530003851 288280381 /nfs/dbraw/zinc/28/03/81/288280381.db2.gz FGGLVKWHVUGGGF-UHFFFAOYSA-N -1 1 278.283 3.203 20 0 CGADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2cccc(F)c2[O-])C1 ZINC000530004792 288280949 /nfs/dbraw/zinc/28/09/49/288280949.db2.gz GQIZVICUFQWPRA-WDEREUQCSA-N -1 1 281.327 3.065 20 0 CGADMM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2ncccc2[O-])C1 ZINC000425119456 281320748 /nfs/dbraw/zinc/32/07/48/281320748.db2.gz MYIOMTIEBDXEIV-AWEZNQCLSA-N -1 1 296.370 3.401 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000548299215 288998950 /nfs/dbraw/zinc/99/89/50/288998950.db2.gz OFVCEAOUQYPWIO-IHRRRGAJSA-N -1 1 288.391 3.136 20 0 CGADMM O=C([O-])C[C@H](NCc1cccc(F)c1F)c1ccsc1 ZINC000555615317 289352801 /nfs/dbraw/zinc/35/28/01/289352801.db2.gz ODWSXNQRRLHGPL-LBPRGKRZSA-N -1 1 297.326 3.332 20 0 CGADMM C[C@@H]1CC[C@@H](Sc2nc(C(F)(F)F)cc(=O)[n-]2)C1 ZINC000558825387 289522163 /nfs/dbraw/zinc/52/21/63/289522163.db2.gz IDDDIBWODNSXEI-RNFRBKRXSA-N -1 1 278.299 3.482 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s[n-]1 ZINC000509640470 294344014 /nfs/dbraw/zinc/34/40/14/294344014.db2.gz PBRMSSUMWAJCAU-YVECIDJPSA-N -1 1 295.452 3.438 20 0 CGADMM C[C@H]1SCCN(Cc2cc(C(=O)[O-])ccc2Cl)[C@H]1C ZINC000565103131 322060105 /nfs/dbraw/zinc/06/01/05/322060105.db2.gz JVKBVNIUAYAZPL-VHSXEESVSA-N -1 1 299.823 3.364 20 0 CGADMM COCc1ccc([C@H]2CCC[N@H+]2CCCCCC(=O)[O-])o1 ZINC000565107641 322061175 /nfs/dbraw/zinc/06/11/75/322061175.db2.gz RDLAAOUQUABUHX-CQSZACIVSA-N -1 1 295.379 3.208 20 0 CGADMM C[C@H](c1c(F)cccc1F)N(C)Cc1ncccc1[O-] ZINC000571960108 322313700 /nfs/dbraw/zinc/31/37/00/322313700.db2.gz MXFHEBVQLFMYAY-SNVBAGLBSA-N -1 1 278.302 3.258 20 0 CGADMM O=C([O-])c1ccoc1CN1CCC[C@@H]1c1ccsc1 ZINC000572370325 322333766 /nfs/dbraw/zinc/33/37/66/322333766.db2.gz MKCIMOXSYJIDPL-GFCCVEGCSA-N -1 1 277.345 3.376 20 0 CGADMM Cc1oc(CN2CCc3ccccc3[C@@H]2C)cc1C(=O)[O-] ZINC000572653185 322348358 /nfs/dbraw/zinc/34/83/58/322348358.db2.gz GKKIDAOGLCTWLT-NSHDSACASA-N -1 1 285.343 3.406 20 0 CGADMM O=C([O-])C[C@H]1CCCN1Cc1csc(C2CCCC2)n1 ZINC000576233884 335175381 /nfs/dbraw/zinc/17/53/81/335175381.db2.gz MTOVGXHLGVKCLC-CYBMUJFWSA-N -1 1 294.420 3.240 20 0 CGADMM O=C([O-])c1csc(CN(CC2CCCCC2)C2CC2)n1 ZINC000577284399 335335186 /nfs/dbraw/zinc/33/51/86/335335186.db2.gz DXJHZAPHNSDGHW-UHFFFAOYSA-N -1 1 294.420 3.386 20 0 CGADMM CC(C)SCc1nc(-c2ccc([O-])cc2F)no1 ZINC000577463177 335354648 /nfs/dbraw/zinc/35/46/48/335354648.db2.gz GUTJUQOTUWGIKL-UHFFFAOYSA-N -1 1 268.313 3.223 20 0 CGADMM COc1cc(-c2nc(-c3ccco3)no2)cc(Cl)c1[O-] ZINC000350567643 335515023 /nfs/dbraw/zinc/51/50/23/335515023.db2.gz SOKTXHOUZRLHCJ-UHFFFAOYSA-N -1 1 292.678 3.364 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3C3CCC3)n2)c(F)c1 ZINC000578241013 335591169 /nfs/dbraw/zinc/59/11/69/335591169.db2.gz PROYVMPVJKZJFQ-NWDGAFQWSA-N -1 1 274.295 3.485 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2c(F)ccc([O-])c2F)C[C@@H]1C ZINC000579776244 335881417 /nfs/dbraw/zinc/88/14/17/335881417.db2.gz CUJMKOOBXKJNOE-UTLUCORTSA-N -1 1 283.318 3.225 20 0 CGADMM COc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1Cl ZINC000192664774 534170833 /nfs/dbraw/zinc/17/08/33/534170833.db2.gz GTPXZPFVBCLKMM-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000177080097 534232181 /nfs/dbraw/zinc/23/21/81/534232181.db2.gz ZGWOQKAEHCXYCP-DTWKUNHWSA-N -1 1 298.180 3.025 20 0 CGADMM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc(Cl)ccc1[O-] ZINC000436596847 534781773 /nfs/dbraw/zinc/78/17/73/534781773.db2.gz NVSJOUWUSDVELN-NUEKZKHPSA-N -1 1 299.757 3.114 20 0 CGADMM O=C(NC1(c2ccccc2)CCC1)c1c([O-])cccc1F ZINC000436949578 534785915 /nfs/dbraw/zinc/78/59/15/534785915.db2.gz MTENWNYHCCVTGC-UHFFFAOYSA-N -1 1 285.318 3.341 20 0 CGADMM CCC1(CNC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000133771156 527740957 /nfs/dbraw/zinc/74/09/57/527740957.db2.gz OCJSVYNZVCVGBT-UHFFFAOYSA-N -1 1 298.180 3.075 20 0 CGADMM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(F)cc2[O-])CCO1 ZINC000359358818 527878436 /nfs/dbraw/zinc/87/84/36/527878436.db2.gz IYDVXFUYBNEHPQ-IAQYHMDHSA-N -1 1 295.354 3.311 20 0 CGADMM CCOc1cc(C(=O)N(C)CC2CCC2)cc(Cl)c1[O-] ZINC000358133178 528207635 /nfs/dbraw/zinc/20/76/35/528207635.db2.gz PQGXTJQRGSUUBF-UHFFFAOYSA-N -1 1 297.782 3.316 20 0 CGADMM CCCc1cnc(NC(=O)c2ccc(OC)cc2[O-])s1 ZINC000436761849 528657816 /nfs/dbraw/zinc/65/78/16/528657816.db2.gz AHZHMSYFYDECEV-UHFFFAOYSA-N -1 1 292.360 3.062 20 0 CGADMM CCCC[C@@H](CCC)CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000436947586 528784241 /nfs/dbraw/zinc/78/42/41/528784241.db2.gz ZJLRBFIVINTUKV-CYBMUJFWSA-N -1 1 291.391 3.298 20 0 CGADMM CCC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730362053 572346490 /nfs/dbraw/zinc/34/64/90/572346490.db2.gz JIWKGLRPSXKBOS-LURJTMIESA-N -1 1 291.130 3.223 20 0 CGADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1C[C@@H](C)CCC[C@H]1C ZINC000738287125 572369889 /nfs/dbraw/zinc/36/98/89/572369889.db2.gz AIUUMJGGWQUSPP-VHSXEESVSA-N -1 1 299.802 3.011 20 0 CGADMM C[C@H](c1ccccc1Cl)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737720841 572381987 /nfs/dbraw/zinc/38/19/87/572381987.db2.gz KXMYIKAVBKMSCH-LLVKDONJSA-N -1 1 296.798 3.475 20 0 CGADMM C[C@@H]1CN(Cc2cccc(Cl)c2F)CC[C@@H]1C(=O)[O-] ZINC000302493749 572517587 /nfs/dbraw/zinc/51/75/87/572517587.db2.gz JOYNKFBMUDGENZ-KOLCDFICSA-N -1 1 285.746 3.022 20 0 CGADMM CCN(C(=O)c1ccc(O)cc1[O-])c1ccccc1C ZINC000220538386 572553992 /nfs/dbraw/zinc/55/39/92/572553992.db2.gz IZDFVWJYRXZPBA-UHFFFAOYSA-N -1 1 271.316 3.073 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1csc(C2CC2)n1 ZINC000743415857 572658558 /nfs/dbraw/zinc/65/85/58/572658558.db2.gz MIKHGSHOWJBTJR-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM CS[C@H]1CC[C@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000743728657 572680277 /nfs/dbraw/zinc/68/02/77/572680277.db2.gz NSWPMBJVJDKDGT-IUCAKERBSA-N -1 1 285.796 3.060 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(C)c2)c1 ZINC000744493882 572758908 /nfs/dbraw/zinc/75/89/08/572758908.db2.gz QHPLKFAHCAQCSG-UHFFFAOYSA-N -1 1 298.338 3.303 20 0 CGADMM CC(C)(NCc1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC000736339719 572782789 /nfs/dbraw/zinc/78/27/89/572782789.db2.gz QHTQFZDTJTZBCA-UHFFFAOYSA-N -1 1 277.295 3.142 20 0 CGADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC000736368919 572784371 /nfs/dbraw/zinc/78/43/71/572784371.db2.gz IQINGSMPICPHBO-LBPRGKRZSA-N -1 1 286.383 3.033 20 0 CGADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC000736368919 572784375 /nfs/dbraw/zinc/78/43/75/572784375.db2.gz IQINGSMPICPHBO-LBPRGKRZSA-N -1 1 286.383 3.033 20 0 CGADMM O=C([N-]c1nc(C2CC2)no1)c1cc2occc2s1 ZINC000736684728 572804463 /nfs/dbraw/zinc/80/44/63/572804463.db2.gz ZZSAQCLYEGEAIJ-UHFFFAOYSA-N -1 1 275.289 3.007 20 0 CGADMM Cc1cnc([C@H](C)NC(=O)c2c([O-])cccc2Cl)s1 ZINC000750250155 573104740 /nfs/dbraw/zinc/10/47/40/573104740.db2.gz NGBUXIYQRJDQTK-QMMMGPOBSA-N -1 1 296.779 3.302 20 0 CGADMM CCc1noc(C)c1[C@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000818350395 597274144 /nfs/dbraw/zinc/27/41/44/597274144.db2.gz FQRFSSSERSJJNT-JTQLQIEISA-N -1 1 288.347 3.094 20 0 CGADMM CCc1cccnc1[C@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000820485888 597663676 /nfs/dbraw/zinc/66/36/76/597663676.db2.gz TXMOWUHCUZDJKS-LBPRGKRZSA-N -1 1 284.359 3.193 20 0 CGADMM CC(C)N(Cc1ccc(C(=O)[O-])s1)Cc1ccccn1 ZINC000826951529 601942905 /nfs/dbraw/zinc/94/29/05/601942905.db2.gz LUVFXXHIEBJVIL-UHFFFAOYSA-N -1 1 290.388 3.252 20 0 CGADMM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1ccc(C(C)C)cc1 ZINC000827022024 604406298 /nfs/dbraw/zinc/40/62/98/604406298.db2.gz PRDAWLGLAKITKU-INIZCTEOSA-N -1 1 293.407 3.120 20 0 CGADMM C[C@H](c1ccncc1)N(C)Cc1ccsc1C(=O)[O-] ZINC000384016356 604718996 /nfs/dbraw/zinc/71/89/96/604718996.db2.gz YUHYLIGMPPRMJU-SNVBAGLBSA-N -1 1 276.361 3.034 20 0 CGADMM Cc1occc1CN[C@H]1CCc2cc(NC(=O)[O-])ccc21 ZINC000833938763 605592177 /nfs/dbraw/zinc/59/21/77/605592177.db2.gz NIHDPEOSBSZQAU-HNNXBMFYSA-N -1 1 286.331 3.455 20 0 CGADMM CCc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1CC ZINC000825717438 608428780 /nfs/dbraw/zinc/42/87/80/608428780.db2.gz LBZYBAFVLTVHCA-UHFFFAOYSA-N -1 1 297.362 3.197 20 0 CGADMM CCc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1CC ZINC000825717438 608428781 /nfs/dbraw/zinc/42/87/81/608428781.db2.gz LBZYBAFVLTVHCA-UHFFFAOYSA-N -1 1 297.362 3.197 20 0 CGADMM COC1(CNC(=O)c2ccc([O-])cc2F)CCCCCC1 ZINC000890839786 617880573 /nfs/dbraw/zinc/88/05/73/617880573.db2.gz OPBXLHLIXZLCPT-UHFFFAOYSA-N -1 1 295.354 3.001 20 0 CGADMM C[C@H](CCC(C)(C)C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900763189 620808524 /nfs/dbraw/zinc/80/85/24/620808524.db2.gz JBYGCYFLGLZXQH-SNVBAGLBSA-N -1 1 291.395 3.004 20 0 CGADMM CCCCCC[C@H](C)CC(=O)NCc1n[n-]c(=S)n1C ZINC000066625677 618860676 /nfs/dbraw/zinc/86/06/76/618860676.db2.gz UELNVGZLIOBJMS-NSHDSACASA-N -1 1 298.456 3.090 20 0 CGADMM C[C@H]1CCC(C)(C)N1C(=O)c1c([O-])cccc1Cl ZINC000854897727 619081396 /nfs/dbraw/zinc/08/13/96/619081396.db2.gz GPGZIWMNDKQIEN-VIFPVBQESA-N -1 1 267.756 3.449 20 0 CGADMM CC(C)c1ccc(N(C)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000159038195 619443407 /nfs/dbraw/zinc/44/34/07/619443407.db2.gz OWHSKRKQTSETRH-UHFFFAOYSA-N -1 1 285.343 3.498 20 0 CGADMM Cc1cc(Cl)ncc1NC(=O)c1cc(F)ccc1[O-] ZINC000092760769 619717669 /nfs/dbraw/zinc/71/76/69/619717669.db2.gz MXAQNCWAZNIPJT-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM CCc1[n-]n(-c2cc(C)ccc2Br)c(=O)c1F ZINC000871958742 620271857 /nfs/dbraw/zinc/27/18/57/620271857.db2.gz JETAJNVVDYJXHN-NSHDSACASA-N -1 1 299.143 3.208 20 0 CGADMM Cc1cccc(CO[N-]C(=O)C[C@H]2CCc3ccccc32)n1 ZINC000898934772 620610349 /nfs/dbraw/zinc/61/03/49/620610349.db2.gz BBHXBFXANPQAHZ-OAHLLOKOSA-N -1 1 296.370 3.058 20 0 CGADMM CC1(CN2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CCC1 ZINC000901589287 620937038 /nfs/dbraw/zinc/93/70/38/620937038.db2.gz ZDCJJAHYDDHVAJ-UHFFFAOYSA-N -1 1 298.386 3.414 20 0 CGADMM O=C([O-])c1ccc(CNCc2ccc(C3CC3)cc2)o1 ZINC000901662772 620971421 /nfs/dbraw/zinc/97/14/21/620971421.db2.gz PVJKIHKGWMGGJG-UHFFFAOYSA-N -1 1 271.316 3.145 20 0 CGADMM C[C@H](N[C@@H](CC1CC1)C(=O)[O-])c1cc2ccccc2o1 ZINC000901788670 621027245 /nfs/dbraw/zinc/02/72/45/621027245.db2.gz DCLLUEVRDOVJBX-GWCFXTLKSA-N -1 1 273.332 3.337 20 0 CGADMM Cc1oc(CN[C@@H]2CCc3cc(F)ccc32)cc1C(=O)[O-] ZINC000902173563 621184802 /nfs/dbraw/zinc/18/48/02/621184802.db2.gz VSOLWVVFNVQEMX-OAHLLOKOSA-N -1 1 289.306 3.202 20 0 CGADMM Cc1cccc2c1CC[C@@H]2NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902230517 621203801 /nfs/dbraw/zinc/20/38/01/621203801.db2.gz DSVNKUVSXAOZHI-JEZWAEDTSA-N -1 1 297.354 3.463 20 0 CGADMM Cc1cc(C)cc([C@@H](C)NCc2cc(C(=O)[O-])co2)c1 ZINC000902235194 621205619 /nfs/dbraw/zinc/20/56/19/621205619.db2.gz KGNCSEFTOJMELE-GFCCVEGCSA-N -1 1 273.332 3.445 20 0 CGADMM Cc1ccccc1[C@@H](NCc1cc(C(=O)[O-])no1)C(C)C ZINC000902250240 621220549 /nfs/dbraw/zinc/22/05/49/621220549.db2.gz OZKLWYDSFZHLCZ-HNNXBMFYSA-N -1 1 288.347 3.168 20 0 CGADMM Cc1oc(CN2CCC=C(c3ccco3)C2)cc1C(=O)[O-] ZINC000902456944 621334423 /nfs/dbraw/zinc/33/44/23/621334423.db2.gz APBIKNDGWPNNKP-UHFFFAOYSA-N -1 1 287.315 3.169 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2cccnc2)s1 ZINC000903688245 621785615 /nfs/dbraw/zinc/78/56/15/621785615.db2.gz VQOXPQXZOILERX-ZDUSSCGKSA-N -1 1 288.372 3.178 20 0 CGADMM CC[C@@H](NCc1ccc(C(=O)[O-])s1)c1nc(C)cs1 ZINC000903678545 621787337 /nfs/dbraw/zinc/78/73/37/621787337.db2.gz OKXDFRPVHUNNFG-SNVBAGLBSA-N -1 1 296.417 3.452 20 0 CGADMM CC1(C)C[C@@]1(NCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000905726508 622101121 /nfs/dbraw/zinc/10/11/21/622101121.db2.gz SZUORMYZOHGWJR-GOSISDBHSA-N -1 1 296.370 3.195 20 0 CGADMM CC(C)[C@@H](F)C(=O)Nc1cccc([O-])c1Br ZINC000908709390 622369377 /nfs/dbraw/zinc/36/93/77/622369377.db2.gz IVVHHOPNJSKGCO-SNVBAGLBSA-N -1 1 290.132 3.087 20 0 CGADMM C/C(=C/C(=O)Nc1cccc([O-])c1Br)C1CC1 ZINC000908717118 622369962 /nfs/dbraw/zinc/36/99/62/622369962.db2.gz VDISTGGOHRYPDH-FPLPWBNLSA-N -1 1 296.164 3.450 20 0 CGADMM CC1(C)CCC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909984865 622441818 /nfs/dbraw/zinc/44/18/18/622441818.db2.gz APLUKHFQCLBOJL-QMMMGPOBSA-N -1 1 269.291 3.435 20 0 CGADMM O=C(C[C@H]1CCC2(CCC2)O1)Nc1cc(F)cc(F)c1[O-] ZINC000910990757 622514523 /nfs/dbraw/zinc/51/45/23/622514523.db2.gz KGVQXXCNBGDBLL-SNVBAGLBSA-N -1 1 297.301 3.101 20 0 CGADMM CCN(C(=O)c1ccccc1[O-])c1ccc(C)cc1 ZINC000055463836 622828276 /nfs/dbraw/zinc/82/82/76/622828276.db2.gz AZSZOZXMFOUJSE-UHFFFAOYSA-N -1 1 255.317 3.367 20 0 CGADMM CC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccccc1OC ZINC000226605308 622985724 /nfs/dbraw/zinc/98/57/24/622985724.db2.gz RWZPWVRZXXQOPL-VIFPVBQESA-N -1 1 293.260 3.163 20 0 CGADMM O=C([O-])c1coc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000228164878 623045889 /nfs/dbraw/zinc/04/58/89/623045889.db2.gz KBEVQOFLTHPXIY-CYBMUJFWSA-N -1 1 289.356 3.305 20 0 CGADMM CCCc1nc(CN2CCC[C@@](CC)(C(=O)[O-])C2)cs1 ZINC000062877441 623273700 /nfs/dbraw/zinc/27/37/00/623273700.db2.gz VXQCCXCSTTUEQT-OAHLLOKOSA-N -1 1 296.436 3.172 20 0 CGADMM O=C(/C=C/c1ccccc1)Nc1c([O-])cccc1F ZINC000089541396 623984754 /nfs/dbraw/zinc/98/47/54/623984754.db2.gz IPLHJTWDIMIXGS-MDZDMXLPSA-N -1 1 257.264 3.183 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCC3(CCC3)CO2)n1 ZINC000917513104 624278320 /nfs/dbraw/zinc/27/83/20/624278320.db2.gz MQXJJRMKSCANKO-LBPRGKRZSA-N -1 1 294.420 3.186 20 0 CGADMM CCN(Cc1cccc(Cl)c1[O-])C[C@H](C)C#N ZINC000179773018 624683265 /nfs/dbraw/zinc/68/32/65/624683265.db2.gz CYHYZLYPGYHRFR-SNVBAGLBSA-N -1 1 252.745 3.027 20 0 CGADMM CC(C)C[C@@H]1COCCN1Cc1cccc(Cl)c1[O-] ZINC000180202368 624726059 /nfs/dbraw/zinc/72/60/59/624726059.db2.gz GTLDESIWBVUEJK-CYBMUJFWSA-N -1 1 283.799 3.293 20 0 CGADMM C[C@@H]1CSCCCN1C(=O)c1c([O-])cccc1Cl ZINC000889922217 624876775 /nfs/dbraw/zinc/87/67/75/624876775.db2.gz PCCNTIAANLNGRM-SECBINFHSA-N -1 1 285.796 3.013 20 0 CGADMM Cc1ccc(N(C)C(=O)c2ccc([O-])cc2F)cc1 ZINC000181936256 624914975 /nfs/dbraw/zinc/91/49/75/624914975.db2.gz TVDBZUOOOXINDG-UHFFFAOYSA-N -1 1 259.280 3.116 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)C2CCC2)c1 ZINC000838387257 626219660 /nfs/dbraw/zinc/21/96/60/626219660.db2.gz CQQPJJHVAIVVSL-LLVKDONJSA-N -1 1 290.359 3.117 20 0 CGADMM O=C(OCCc1cccc(F)c1F)c1ccc([O-])cc1F ZINC000751567628 626396674 /nfs/dbraw/zinc/39/66/74/626396674.db2.gz JXRRAYKRKJUEMP-UHFFFAOYSA-N -1 1 296.244 3.209 20 0 CGADMM CCCCCCO[C@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000839705832 626779905 /nfs/dbraw/zinc/77/99/05/626779905.db2.gz NRAIYUSWQLGMKY-LLVKDONJSA-N -1 1 283.343 3.455 20 0 CGADMM O=C([N-]c1nnc(C(F)F)s1)c1cc(Cl)cs1 ZINC000758161098 626831925 /nfs/dbraw/zinc/83/19/25/626831925.db2.gz VOTMNHIBKYAAJP-UHFFFAOYSA-N -1 1 295.723 3.443 20 0 CGADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc[nH]1 ZINC000760742568 626990207 /nfs/dbraw/zinc/99/02/07/626990207.db2.gz ZZJAQONUDHHLSI-NSHDSACASA-N -1 1 280.327 3.365 20 0 CGADMM Cc1c(Cl)cc(F)c([N-]C(=O)c2cnsn2)c1F ZINC000761964808 627076126 /nfs/dbraw/zinc/07/61/26/627076126.db2.gz YPVVFOLROMREMU-UHFFFAOYSA-N -1 1 289.694 3.030 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)Cc2ccccc21 ZINC000767295477 627397072 /nfs/dbraw/zinc/39/70/72/627397072.db2.gz JHPYVCDWFGIKAL-NSHDSACASA-N -1 1 285.318 3.291 20 0 CGADMM C[C@@H](N(C)C(=O)c1c([O-])cccc1Cl)C1(C)CC1 ZINC000769960864 627592890 /nfs/dbraw/zinc/59/28/90/627592890.db2.gz GKDJDYDWSRNAMU-SECBINFHSA-N -1 1 267.756 3.306 20 0 CGADMM Cc1cnc(-c2nc(-c3ccc([O-])cc3F)no2)c(C)c1 ZINC000771198528 627690093 /nfs/dbraw/zinc/69/00/93/627690093.db2.gz CVGPFIXBLCADGH-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM O=C(Nc1ccc2nc[nH]c2c1)c1cccc(Cl)c1[O-] ZINC000775676711 628123943 /nfs/dbraw/zinc/12/39/43/628123943.db2.gz YEIYVWPCCFQQRJ-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1c(F)cccc1F ZINC000776111577 628169333 /nfs/dbraw/zinc/16/93/33/628169333.db2.gz IJTRLIGMKINRDK-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM C[C@]1(CC(=O)[N-]Oc2ccccc2F)CC1(Cl)Cl ZINC000874910849 634649304 /nfs/dbraw/zinc/64/93/04/634649304.db2.gz IZIOLXSKKLGLJS-NSHDSACASA-N -1 1 292.137 3.210 20 0 CGADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])cc(Cl)n1 ZINC000779028145 628383989 /nfs/dbraw/zinc/38/39/89/628383989.db2.gz ZGCYXWIHPFZQLA-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM COc1cc(C(=O)NC[C@@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000785591042 628872851 /nfs/dbraw/zinc/87/28/51/628872851.db2.gz VZRSKXBWHFPRJV-SECBINFHSA-N -1 1 299.798 3.466 20 0 CGADMM CC(C)(C(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000789930591 629174818 /nfs/dbraw/zinc/17/48/18/629174818.db2.gz ZNCAADFEBBXFGM-UHFFFAOYSA-N -1 1 290.750 3.357 20 0 CGADMM CCc1ccccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790064415 629181646 /nfs/dbraw/zinc/18/16/46/629181646.db2.gz YRAHFKPKXXJBLV-UHFFFAOYSA-N -1 1 276.723 3.255 20 0 CGADMM CC(C)(C)OCCCC(=O)Nc1cccc(F)c1[O-] ZINC000863008386 629459376 /nfs/dbraw/zinc/45/93/76/629459376.db2.gz PHPRBHCDXIVULY-UHFFFAOYSA-N -1 1 269.316 3.065 20 0 CGADMM C/C(=C\C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1)C(=O)[O-] ZINC000863471541 629580563 /nfs/dbraw/zinc/58/05/63/629580563.db2.gz VDVBYJUDQHZFCV-VKUYVZBCSA-N -1 1 295.329 3.175 20 0 CGADMM O=C(NC[C@@H]1CCCC12CC2)c1c([O-])cccc1Cl ZINC000863775562 629671995 /nfs/dbraw/zinc/67/19/95/629671995.db2.gz LXDQMXPEUSVGKI-JTQLQIEISA-N -1 1 279.767 3.356 20 0 CGADMM CC[C@H](OC(=O)c1ccc(C(=O)OC)[n-]1)c1ccccc1 ZINC000796343274 629768962 /nfs/dbraw/zinc/76/89/62/629768962.db2.gz BCVCYVJVBJJALC-AWEZNQCLSA-N -1 1 287.315 3.109 20 0 CGADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000864857960 629933281 /nfs/dbraw/zinc/93/32/81/629933281.db2.gz FKVYRWIPFDMIQS-PCDDKUFXSA-N -1 1 297.358 3.013 20 0 CGADMM O=C(N[C@@H]1CCCC2(CC2)C1)c1c(F)ccc([O-])c1F ZINC000888696684 634781512 /nfs/dbraw/zinc/78/15/12/634781512.db2.gz VEFCXQUGNUTVQC-SECBINFHSA-N -1 1 281.302 3.123 20 0 CGADMM CN(C[C@H]1CC1(C)C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876397975 634826813 /nfs/dbraw/zinc/82/68/13/634826813.db2.gz BFIGKEUNWFPEGT-LLVKDONJSA-N -1 1 296.798 3.233 20 0 CGADMM CC(C)(C)C(C)(C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000816426656 631968915 /nfs/dbraw/zinc/96/89/15/631968915.db2.gz QSZDVROSWIPFKR-UHFFFAOYSA-N -1 1 270.760 3.451 20 0 CGADMM CCC[C@H](C(=O)[N-]OCC)c1ccc(Cl)cc1 ZINC000820523402 632641784 /nfs/dbraw/zinc/64/17/84/632641784.db2.gz KAXIELGELFBUDV-LBPRGKRZSA-N -1 1 255.745 3.291 20 0 CGADMM COc1cnc(C=Cc2ccc3c(c2)CC(C)(C)O3)[n-]c1=O ZINC000821007076 632710581 /nfs/dbraw/zinc/71/05/81/632710581.db2.gz BUUNBKPNKUQCPG-FNORWQNLSA-N -1 1 298.342 3.075 20 0 CGADMM COc1cnc(C=Cc2ccc(Cl)cc2)[n-]c1=O ZINC000821008224 632710933 /nfs/dbraw/zinc/71/09/33/632710933.db2.gz ODVHQRDKVJUMNS-DAXSKMNVSA-N -1 1 262.696 3.015 20 0 CGADMM C[C@@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)C(C)(C)C1 ZINC000866308288 633074397 /nfs/dbraw/zinc/07/43/97/633074397.db2.gz AWYPQQXNLHMIKI-JTQLQIEISA-N -1 1 281.783 3.235 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C1([C@@H]2CCCCO2)CCC1 ZINC000869445967 633446417 /nfs/dbraw/zinc/44/64/17/633446417.db2.gz PGKQLSZRKAWQNX-ZDUSSCGKSA-N -1 1 293.338 3.209 20 0 CGADMM CO[C@H]1CC[C@@H](C)N(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000870707197 633631816 /nfs/dbraw/zinc/63/18/16/633631816.db2.gz FZAPAQYGUCIYAC-DOMZBBRYSA-N -1 1 299.370 3.185 20 0 CGADMM COc1ccc(-n2[n-]c(CCC(C)C)cc2=O)cc1 ZINC000871946546 633923296 /nfs/dbraw/zinc/92/32/96/633923296.db2.gz DWUKVNLBBOOQRW-UHFFFAOYSA-N -1 1 260.337 3.224 20 0 CGADMM CCc1[n-]n([C@@H](C)c2ccc(Cl)cc2)c(=O)c1F ZINC000871949696 633924429 /nfs/dbraw/zinc/92/44/29/633924429.db2.gz JRHHDIOVZPTQNS-UFBFGSQYSA-N -1 1 268.719 3.347 20 0 CGADMM CCc1c(C)[n-]n(-c2ncnc(Cl)c2C(C)C)c1=O ZINC000871956942 633926523 /nfs/dbraw/zinc/92/65/23/633926523.db2.gz IWYVSHFSVZHVNH-VIFPVBQESA-N -1 1 280.759 3.002 20 0 CGADMM CCC[C@@H](C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872801865 634211249 /nfs/dbraw/zinc/21/12/49/634211249.db2.gz VGXOFWXEIPXWLJ-SECBINFHSA-N -1 1 270.760 3.033 20 0 CGADMM O=C(CCCC(F)(F)F)NCc1ccc([O-])c(Cl)c1 ZINC000834825040 634248060 /nfs/dbraw/zinc/24/80/60/634248060.db2.gz GUCOUKQSLOBWPP-UHFFFAOYSA-N -1 1 295.688 3.394 20 0 CGADMM CCC(CC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833673 634252703 /nfs/dbraw/zinc/25/27/03/634252703.db2.gz HWOFIYNJXJJERO-UHFFFAOYSA-N -1 1 255.745 3.098 20 0 CGADMM C[C@]1(COC(=O)c2ccc([O-])cc2F)CC1(Cl)Cl ZINC000837612603 634950546 /nfs/dbraw/zinc/95/05/46/634950546.db2.gz OELRDBGKTNFLLQ-LLVKDONJSA-N -1 1 293.121 3.272 20 0 CGADMM [O-]c1ccc(-c2noc(C3SCCCS3)n2)c(F)c1 ZINC000842497479 635386036 /nfs/dbraw/zinc/38/60/36/635386036.db2.gz PLGFEOBIGVWGIK-UHFFFAOYSA-N -1 1 298.364 3.450 20 0 CGADMM CC1(C)CO[C@@H](CCC(=O)Nc2c([O-])cccc2F)C1 ZINC000878866378 635646010 /nfs/dbraw/zinc/64/60/10/635646010.db2.gz KHXZWNBOHZADKN-JTQLQIEISA-N -1 1 281.327 3.065 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ncsc1C1CC1 ZINC000879705195 635839146 /nfs/dbraw/zinc/83/91/46/635839146.db2.gz AMQMAJZDWTYDQY-UHFFFAOYSA-N -1 1 295.751 3.027 20 0 CGADMM O=C([O-])Cc1ccccc1CN1CCc2ccc(F)cc2C1 ZINC000846246837 636166246 /nfs/dbraw/zinc/16/62/46/636166246.db2.gz MMAPBVDRHYVALU-UHFFFAOYSA-N -1 1 299.345 3.011 20 0 CGADMM CCN(CCC(=O)[O-])Cc1ncc(-c2ccccc2)s1 ZINC000846265349 636170712 /nfs/dbraw/zinc/17/07/12/636170712.db2.gz GYQXUVYJNDBZNN-UHFFFAOYSA-N -1 1 290.388 3.107 20 0 CGADMM CC[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@@H](CC)CO1 ZINC000846374733 636180057 /nfs/dbraw/zinc/18/00/57/636180057.db2.gz KGXBELWKCTVHJW-WDEREUQCSA-N -1 1 297.782 3.075 20 0 CGADMM Cc1cnc(SC[C@H]2CC(C)(C)OC2(C)C)[n-]c1=O ZINC000882174637 636278075 /nfs/dbraw/zinc/27/80/75/636278075.db2.gz UMCVBPJHQNLRMH-SNVBAGLBSA-N -1 1 282.409 3.176 20 0 CGADMM C=C/C=C/CCSc1nc(CC)c(C)c(=O)[n-]1 ZINC000882177227 636279077 /nfs/dbraw/zinc/27/90/77/636279077.db2.gz MJSGNBKXGYQSEW-VOTSOKGWSA-N -1 1 250.367 3.277 20 0 CGADMM COCc1ccccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129535206 636296547 /nfs/dbraw/zinc/29/65/47/636296547.db2.gz CBGPLQRJJJKPJW-UHFFFAOYSA-N -1 1 291.734 3.444 20 0 CGADMM Cc1cc(NC(=O)c2ccccc2[O-])cnc1Cl ZINC000129921049 636397705 /nfs/dbraw/zinc/39/77/05/636397705.db2.gz GNIQJDYAWBVKAB-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)[C@H]1CCCCO1 ZINC000848350109 636561064 /nfs/dbraw/zinc/56/10/64/636561064.db2.gz MNLKYFDMELTOPA-WCQYABFASA-N -1 1 297.782 3.123 20 0 CGADMM CCC[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000086733620 636783111 /nfs/dbraw/zinc/78/31/11/636783111.db2.gz QTGOLFVLQALQRZ-CMPLNLGQSA-N -1 1 261.321 3.337 20 0 CGADMM CCc1nc(SCc2cccc(Cl)n2)[n-]c(=O)c1C ZINC000849922052 636908930 /nfs/dbraw/zinc/90/89/30/636908930.db2.gz VUCDQEJOLCHGKY-UHFFFAOYSA-N -1 1 295.795 3.394 20 0 CGADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680129 637283804 /nfs/dbraw/zinc/28/38/04/637283804.db2.gz MIYTVNMYMFDTRG-BZNPZCIMSA-N -1 1 283.730 3.415 20 0 CGADMM CO[C@H](CC(C)C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885679491 637284062 /nfs/dbraw/zinc/28/40/62/637284062.db2.gz AVAMWXGMKZYCKM-GFCCVEGCSA-N -1 1 289.734 3.184 20 0 CGADMM CCC(C)(CC)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266175 637472166 /nfs/dbraw/zinc/47/21/66/637472166.db2.gz BSDFHRQJEOWICE-UHFFFAOYSA-N -1 1 285.334 3.155 20 0 CGADMM CCc1c(C(C)C)[n-]n([C@H]2CC(C)(C)OC2(C)C)c1=O ZINC000887296799 637792253 /nfs/dbraw/zinc/79/22/53/637792253.db2.gz LQDWEYRAJSEBSS-RYUDHWBXSA-N -1 1 280.412 3.213 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1CC(F)(F)C1 ZINC000885676470 638037017 /nfs/dbraw/zinc/03/70/17/638037017.db2.gz OLKMMQVLBXMYPA-UHFFFAOYSA-N -1 1 279.645 3.169 20 0 CGADMM CC[C@@H](SC)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676987 638039213 /nfs/dbraw/zinc/03/92/13/638039213.db2.gz YCDMDUKPRSZYNN-SNVBAGLBSA-N -1 1 277.748 3.265 20 0 CGADMM O=C([N-]Oc1ccccc1)[C@@H]1CCCC[C@H]1C1CC1 ZINC000854536890 638068773 /nfs/dbraw/zinc/06/87/73/638068773.db2.gz YCWULVDNXQNTCE-LSDHHAIUSA-N -1 1 259.349 3.313 20 0 CGADMM O=C([N-]Oc1ccccc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000854539208 638070101 /nfs/dbraw/zinc/07/01/01/638070101.db2.gz XLSAMIYCHBZHEX-WDEREUQCSA-N -1 1 287.281 3.465 20 0 CGADMM C[C@@H]1CSCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000889913480 638132128 /nfs/dbraw/zinc/13/21/28/638132128.db2.gz QKHBBSKQAFQERN-SECBINFHSA-N -1 1 285.796 3.013 20 0 CGADMM O=C(NOCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000010319061 638204423 /nfs/dbraw/zinc/20/44/23/638204423.db2.gz IGVWHPMTDFRHEY-UHFFFAOYSA-N -1 1 293.322 3.407 20 0 CGADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1c1ccccc1 ZINC000923960158 638286524 /nfs/dbraw/zinc/28/65/24/638286524.db2.gz QDQXKAYYSLKBFY-LRDDRELGSA-N -1 1 282.343 3.011 20 0 CGADMM CCc1ccc([C@@H](C)C(=O)[N-]OCC2CCC2)cc1 ZINC000856346987 638347523 /nfs/dbraw/zinc/34/75/23/638347523.db2.gz BTTIXXQMICPJEC-GFCCVEGCSA-N -1 1 261.365 3.200 20 0 CGADMM C[C@@H]1CCC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)[C@H]1C ZINC000858312276 638678067 /nfs/dbraw/zinc/67/80/67/638678067.db2.gz SKOATLVOWBVNQK-HRDYMLBCSA-N -1 1 255.749 3.072 20 0 CGADMM C[C@@H]1CCC[C@H](Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858507308 638749227 /nfs/dbraw/zinc/74/92/27/638749227.db2.gz HIFXSVHLPVVFJC-BDAKNGLRSA-N -1 1 255.749 3.216 20 0 CGADMM CC[C@H]1CC[C@H](Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858554720 638760147 /nfs/dbraw/zinc/76/01/47/638760147.db2.gz MLEXVQDEEWCNPS-KYZUINATSA-N -1 1 255.749 3.216 20 0 CGADMM C[C@@H](Nc1cc(Cl)[n-]c(=O)n1)[C@@H]1CC2CCC1CC2 ZINC000858609122 639002902 /nfs/dbraw/zinc/00/29/02/639002902.db2.gz OSTCMCVKVLDOGS-SFXRXQKFSA-N -1 1 281.787 3.462 20 0 CGADMM CC1(C)CCN(c2cc(Cl)[n-]c(=O)n2)CC(C)(C)C1 ZINC000858626620 639004526 /nfs/dbraw/zinc/00/45/26/639004526.db2.gz JFULNCXQUYCQRA-UHFFFAOYSA-N -1 1 283.803 3.488 20 0 CGADMM CC1(C(=O)Nc2ccc([O-])c(Cl)c2)CC=CC1 ZINC000935021145 639733473 /nfs/dbraw/zinc/73/34/73/639733473.db2.gz POIIBSFAIXDVKH-UHFFFAOYSA-N -1 1 251.713 3.340 20 0 CGADMM O=C(NCCc1cccs1)c1c([O-])cccc1Cl ZINC000049081961 640082054 /nfs/dbraw/zinc/08/20/54/640082054.db2.gz KWFZLDMFNFTJPL-UHFFFAOYSA-N -1 1 281.764 3.080 20 0 CGADMM CCOc1cccc(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000188340233 640131147 /nfs/dbraw/zinc/13/11/47/640131147.db2.gz AAIZTTWPDQPBFQ-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM C[C@H](C(=O)Nc1nc(Cl)ccc1[O-])c1cccs1 ZINC000188375061 640133747 /nfs/dbraw/zinc/13/37/47/640133747.db2.gz BAFQOUAGFIWGLY-ZETCQYMHSA-N -1 1 282.752 3.244 20 0 CGADMM [O-]c1ccc(-c2nccc(C(F)(F)F)n2)c(F)c1 ZINC001250467206 805634942 /nfs/dbraw/zinc/63/49/42/805634942.db2.gz ZAEROWRSXWNIKL-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM COc1cc2nc(-c3cccc(F)c3[O-])[nH]c2cc1OC ZINC001250683763 805754402 /nfs/dbraw/zinc/75/44/02/805754402.db2.gz PUNLQAWUUYJYNP-UHFFFAOYSA-N -1 1 288.278 3.092 20 0 CGADMM CC(=O)c1cc(NC(=O)c2cccc([O-])c2F)ccc1F ZINC001157382138 805803588 /nfs/dbraw/zinc/80/35/88/805803588.db2.gz LFZUEXGJKKHFEQ-UHFFFAOYSA-N -1 1 291.253 3.125 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1c(F)cccc1F ZINC001157806359 805875509 /nfs/dbraw/zinc/87/55/09/805875509.db2.gz ZNUVWNRZXRYCLK-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM CC(=O)c1ccc2[nH]c(-c3c([O-])ccc(F)c3F)nc2c1 ZINC001251322221 805881885 /nfs/dbraw/zinc/88/18/85/805881885.db2.gz PZTAJLJRQJNZLF-UHFFFAOYSA-N -1 1 288.253 3.416 20 0 CGADMM Cc1occc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001157893377 805900829 /nfs/dbraw/zinc/90/08/29/805900829.db2.gz JCPQIFSLGWFVKO-UHFFFAOYSA-N -1 1 269.659 3.338 20 0 CGADMM COc1ccc(-c2nnc(-c3ccc([O-])cc3F)o2)cc1 ZINC001252021326 805974853 /nfs/dbraw/zinc/97/48/53/805974853.db2.gz DBIUUGRFGHNUDQ-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM [O-]c1cnc(Cl)c(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC001252239327 806032124 /nfs/dbraw/zinc/03/21/24/806032124.db2.gz ICPAYZHYTYPUBJ-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM COc1ccc(-c2nnc(-c3ccc(C)cc3)o2)c([O-])c1 ZINC001252608357 806085708 /nfs/dbraw/zinc/08/57/08/806085708.db2.gz QEUILKCCZQTMMU-UHFFFAOYSA-N -1 1 282.299 3.426 20 0 CGADMM [O-]c1cccnc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC001252709935 806105902 /nfs/dbraw/zinc/10/59/02/806105902.db2.gz WPNVMZRBHSACEM-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM COc1cc([O-])c(-c2nnc(-c3ccccc3)o2)c(OC)c1 ZINC001253130907 806178675 /nfs/dbraw/zinc/17/86/75/806178675.db2.gz KLCXEFDLNJEYNT-UHFFFAOYSA-N -1 1 298.298 3.126 20 0 CGADMM [O-]c1ccc(-c2nnc(Cc3ccccc3)o2)cc1F ZINC001253579776 806263563 /nfs/dbraw/zinc/26/35/63/806263563.db2.gz JKZQSHPQVCDKOC-UHFFFAOYSA-N -1 1 270.263 3.172 20 0 CGADMM [O-]c1cc(O)ccc1-c1nnc(-c2cccc(Cl)c2)o1 ZINC001253735602 806290860 /nfs/dbraw/zinc/29/08/60/806290860.db2.gz QISQHXVNGQKGAM-UHFFFAOYSA-N -1 1 288.690 3.468 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ncc1C ZINC001254520560 806436011 /nfs/dbraw/zinc/43/60/11/806436011.db2.gz SBYAIGSGXLCHCG-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM C[C@H](CC(=O)Nc1cc(F)cc(F)c1[O-])c1ccncc1 ZINC001162295239 806550963 /nfs/dbraw/zinc/55/09/63/806550963.db2.gz FFODAPYTGUQTOT-SECBINFHSA-N -1 1 292.285 3.198 20 0 CGADMM CC(C)C[C@H](CO)Nc1cc([S-])cc(S)c1 ZINC001162372282 806569504 /nfs/dbraw/zinc/56/95/04/806569504.db2.gz GGEFPNGIQISUIT-SNVBAGLBSA-N -1 1 257.424 3.083 20 0 CGADMM C[C@H](C(=O)[N-]OCCC(F)(F)F)c1ccc(F)cc1F ZINC001255302923 806602165 /nfs/dbraw/zinc/60/21/65/806602165.db2.gz BOMLUVUGRMSMJT-ZETCQYMHSA-N -1 1 297.223 3.069 20 0 CGADMM O=C(N[C@H](C1CC1)C1CCC1)c1ccc(Cl)cc1[O-] ZINC000325203631 799249021 /nfs/dbraw/zinc/24/90/21/799249021.db2.gz KCCOMUXNGDOBBS-AWEZNQCLSA-N -1 1 279.767 3.354 20 0 CGADMM CC1(C)CCC(CNC(=O)c2ccc([O-])cc2F)CC1 ZINC000380815056 799367575 /nfs/dbraw/zinc/36/75/75/799367575.db2.gz OHUHJMLVXBJUPF-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM CC(C)(CNC(=O)c1c([O-])cccc1F)C1CCC1 ZINC000384848535 799418443 /nfs/dbraw/zinc/41/84/43/799418443.db2.gz KQEMZXJAKJPEAC-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCC=C(Cl)C1 ZINC000404550538 799578109 /nfs/dbraw/zinc/57/81/09/799578109.db2.gz PPJHCEDLJBCJHJ-UHFFFAOYSA-N -1 1 272.131 3.014 20 0 CGADMM O=C([O-])c1ccc(CN(Cc2ccoc2)C2CC2)cc1 ZINC000723740779 800338218 /nfs/dbraw/zinc/33/82/18/800338218.db2.gz RWTDWMYEJNQAAP-UHFFFAOYSA-N -1 1 271.316 3.142 20 0 CGADMM O=C(OCc1ccc(F)cc1F)c1ccc([O-])cc1F ZINC000773566477 800385636 /nfs/dbraw/zinc/38/56/36/800385636.db2.gz OAPKBJWFXPTLFT-UHFFFAOYSA-N -1 1 282.217 3.167 20 0 CGADMM CC(C)Cc1nnc(-c2ccc([O-])cc2Cl)o1 ZINC001256412152 806889032 /nfs/dbraw/zinc/88/90/32/806889032.db2.gz DVZXKWZIJYOXJK-UHFFFAOYSA-N -1 1 252.701 3.294 20 0 CGADMM CC(C)Cc1nnc(-c2c(O)cc3ccccc3c2[O-])o1 ZINC001256426338 806894888 /nfs/dbraw/zinc/89/48/88/806894888.db2.gz MDLUSRSMJRLTEW-UHFFFAOYSA-N -1 1 284.315 3.500 20 0 CGADMM CC(C)Cc1nnc(-c2cnc(-c3ccccc3)[n-]c2=O)o1 ZINC001256480873 806905014 /nfs/dbraw/zinc/90/50/14/806905014.db2.gz FURBINNPDKGPPN-UHFFFAOYSA-N -1 1 296.330 3.098 20 0 CGADMM O=C(CC1CCC1)Nc1ccc(Br)c([O-])c1 ZINC001116757531 802406193 /nfs/dbraw/zinc/40/61/93/802406193.db2.gz BIRVDOJVEDSZST-UHFFFAOYSA-N -1 1 284.153 3.283 20 0 CGADMM CC[C@H](C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001116754542 802406706 /nfs/dbraw/zinc/40/67/06/802406706.db2.gz YFZJDCKPHJJJRI-ZETCQYMHSA-N -1 1 272.142 3.139 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C[C@H]1C ZINC001119530067 802676993 /nfs/dbraw/zinc/67/69/93/802676993.db2.gz REVRLZVVLHPTIV-NWDGAFQWSA-N -1 1 299.370 3.369 20 0 CGADMM CC(C)CCC[C@H](NCc1cc2cccnc2o1)C(=O)[O-] ZINC001119549648 802678405 /nfs/dbraw/zinc/67/84/05/802678405.db2.gz KEACAOXLXYWVPI-AWEZNQCLSA-N -1 1 290.363 3.197 20 0 CGADMM CCCC[C@@H](CC)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129757395 803252468 /nfs/dbraw/zinc/25/24/68/803252468.db2.gz FKQOESRAWWFDNC-LLVKDONJSA-N -1 1 291.395 3.216 20 0 CGADMM Cc1ccc([O-])c(-c2ncc(C)c(NCC3CC3)n2)c1 ZINC001244401996 803350401 /nfs/dbraw/zinc/35/04/01/803350401.db2.gz NOONODVOMSQVPI-UHFFFAOYSA-N -1 1 269.348 3.288 20 0 CGADMM Cc1ccc([O-])c(-c2ncc3ncn(C(C)C)c3n2)c1 ZINC001244402281 803350799 /nfs/dbraw/zinc/35/07/99/803350799.db2.gz BVVZEPSETMRRMJ-UHFFFAOYSA-N -1 1 268.320 3.088 20 0 CGADMM Nc1cc(-c2ccc(OC(F)(F)F)cc2[O-])ncc1F ZINC001244461797 803381576 /nfs/dbraw/zinc/38/15/76/803381576.db2.gz GGAAAXYCEHPEMN-UHFFFAOYSA-N -1 1 288.200 3.074 20 0 CGADMM O=c1c(-c2ccc(Cl)cc2[O-])cccn1-c1ccncc1 ZINC001244471298 803387221 /nfs/dbraw/zinc/38/72/21/803387221.db2.gz DSSQUXCOYVVKOA-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM [O-]c1c(F)cc(-c2cc(-n3ccnc3)ccn2)cc1Cl ZINC001244500566 803406103 /nfs/dbraw/zinc/40/61/03/803406103.db2.gz UOKCMAQXNTZGTB-UHFFFAOYSA-N -1 1 289.697 3.432 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncc3[nH]ccc3n2)c1F ZINC001244538341 803425123 /nfs/dbraw/zinc/42/51/23/803425123.db2.gz NCOWXEYYBHKRIW-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM CC(C)Oc1cc(-c2c(Cl)ccc([O-])c2F)ncn1 ZINC001244537791 803425741 /nfs/dbraw/zinc/42/57/41/803425741.db2.gz GHQPFJWSJLKMHX-UHFFFAOYSA-N -1 1 282.702 3.429 20 0 CGADMM Cc1ccc(-c2c(F)c([O-])ccc2Cl)nc1N ZINC001244539493 803426470 /nfs/dbraw/zinc/42/64/70/803426470.db2.gz YXHRWDMAYPHZSM-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM Cc1cc2c(ncnc2-c2c(Cl)ccc([O-])c2F)[nH]1 ZINC001244539346 803426690 /nfs/dbraw/zinc/42/66/90/803426690.db2.gz WZPBHIWCBFUUQS-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cnc3cccnc3n2)c1F ZINC001244539310 803427031 /nfs/dbraw/zinc/42/70/31/803427031.db2.gz VLCHISYZPQIQTH-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM COc1cccc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244539388 803427221 /nfs/dbraw/zinc/42/72/21/803427221.db2.gz ZDPKTBIBNVNLSX-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM CNC(=O)Cc1ccccc1-c1c(Cl)ccc([O-])c1F ZINC001244539632 803427726 /nfs/dbraw/zinc/42/77/26/803427726.db2.gz AAIBGURZYSBBMC-UHFFFAOYSA-N -1 1 293.725 3.140 20 0 CGADMM O=C1NCc2cccc(-c3c(Cl)ccc([O-])c3F)c21 ZINC001244539651 803428063 /nfs/dbraw/zinc/42/80/63/803428063.db2.gz AYHFJJBBOGOMRR-UHFFFAOYSA-N -1 1 277.682 3.095 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cc(-c3nnco3)ccn2)c1F ZINC001244540448 803428255 /nfs/dbraw/zinc/42/82/55/803428255.db2.gz OXPVEXUKXQGNKG-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM CCOC(=O)c1cncc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244539750 803428370 /nfs/dbraw/zinc/42/83/70/803428370.db2.gz GDRSNCRHVBQUCU-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM CC1(C)C(=O)Nc2cc(-c3cc(Cl)ccc3[O-])ncc21 ZINC001245048249 803621222 /nfs/dbraw/zinc/62/12/22/803621222.db2.gz HVWXETCLRAQFBM-UHFFFAOYSA-N -1 1 288.734 3.337 20 0 CGADMM Cc1cccc([C@H](NC(=O)c2cnncc2O)C(C)(C)C)c1 ZINC001136356037 803640964 /nfs/dbraw/zinc/64/09/64/803640964.db2.gz NSOYEUZBMFMIOB-HNNXBMFYSA-N -1 1 299.374 3.008 20 0 CGADMM Cc1cccc([C@H](NC(=O)c2cnncc2[O-])C(C)(C)C)c1 ZINC001136356037 803640966 /nfs/dbraw/zinc/64/09/66/803640966.db2.gz NSOYEUZBMFMIOB-HNNXBMFYSA-N -1 1 299.374 3.008 20 0 CGADMM Cc1ncccc1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001137009288 803670828 /nfs/dbraw/zinc/67/08/28/803670828.db2.gz XJTHHUFCFYCDPM-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM O=C([O-])c1ccc(-c2cc3[nH]nnc3cc2F)c(Cl)c1 ZINC001245372334 803717721 /nfs/dbraw/zinc/71/77/21/803717721.db2.gz AQKFNIVNCUCHOF-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM Cc1cc(O)ccc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001137671744 803754582 /nfs/dbraw/zinc/75/45/82/803754582.db2.gz ALEUSWAHCPMEBB-UHFFFAOYSA-N -1 1 291.734 3.241 20 0 CGADMM Cn1cnc2ccnc(-c3c(F)ccc([O-])c3Cl)c21 ZINC001245830315 803984919 /nfs/dbraw/zinc/98/49/19/803984919.db2.gz KWTPDEOVQLRGMG-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM Cn1nnc2ccc(-c3c(F)ccc([O-])c3Cl)cc21 ZINC001245831673 803986910 /nfs/dbraw/zinc/98/69/10/803986910.db2.gz HOLYSCBITZPGQU-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM CN(C)c1cncc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245831279 803987043 /nfs/dbraw/zinc/98/70/43/803987043.db2.gz ISAOEYZOANXVIZ-UHFFFAOYSA-N -1 1 266.703 3.313 20 0 CGADMM Cc1cnc2ncc(-c3c(F)ccc([O-])c3Cl)cc2n1 ZINC001245833309 803987978 /nfs/dbraw/zinc/98/79/78/803987978.db2.gz YCCITJUYYPWQHC-UHFFFAOYSA-N -1 1 289.697 3.498 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3ncnn3c2F)c1Cl ZINC001245836062 803988173 /nfs/dbraw/zinc/98/81/73/803988173.db2.gz TVYXCERHLHXBQJ-UHFFFAOYSA-N -1 1 281.649 3.034 20 0 CGADMM CSc1cnc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245832581 803988389 /nfs/dbraw/zinc/98/83/89/803988389.db2.gz QFIPZKTYZDRZDE-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM COc1ccc(-n2[n-]c(CC3CCCC3)cc2=O)cc1 ZINC001245933231 804062807 /nfs/dbraw/zinc/06/28/07/804062807.db2.gz YIRWAOMRCHGDJX-UHFFFAOYSA-N -1 1 272.348 3.319 20 0 CGADMM C[C@H](n1[n-]c(-c2ccc(N(C)C)cc2)cc1=O)C(F)(F)F ZINC001245944150 804075802 /nfs/dbraw/zinc/07/58/02/804075802.db2.gz NSYNGIRVDQXPIJ-VIFPVBQESA-N -1 1 299.296 3.445 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1ccc(Br)cc1 ZINC001245954103 804090728 /nfs/dbraw/zinc/09/07/28/804090728.db2.gz XQKCBAQWCJEWJZ-UHFFFAOYSA-N -1 1 293.164 3.293 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCC(c2ccco2)CC1 ZINC001165697111 807014711 /nfs/dbraw/zinc/01/47/11/807014711.db2.gz ICQCVGXHNCEFGJ-UHFFFAOYSA-N -1 1 289.306 3.144 20 0 CGADMM [O-]c1ccc(CN2CCOC3(CCCCC3)C2)c(F)c1F ZINC001140893168 804542403 /nfs/dbraw/zinc/54/24/03/804542403.db2.gz JQMAXBJFNHVKSE-UHFFFAOYSA-N -1 1 297.345 3.206 20 0 CGADMM [O-]c1c(F)cc(CN2CCCCC(F)(F)C2)cc1F ZINC001140988207 804564846 /nfs/dbraw/zinc/56/48/46/804564846.db2.gz RNYZACUHMLCYLQ-UHFFFAOYSA-N -1 1 277.261 3.292 20 0 CGADMM O=C(NCC1(c2ccccc2)CCC1)c1ccc(F)c([O-])c1 ZINC001141276052 804626847 /nfs/dbraw/zinc/62/68/47/804626847.db2.gz FPBYGFHMJVBVHZ-UHFFFAOYSA-N -1 1 299.345 3.383 20 0 CGADMM Cc1cc(N(C)C)ccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001141654547 804662504 /nfs/dbraw/zinc/66/25/04/804662504.db2.gz ZLLFKSFELTWYJA-UHFFFAOYSA-N -1 1 288.322 3.158 20 0 CGADMM C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1c(Cl)cc(O)cc1Cl ZINC001142105863 804695175 /nfs/dbraw/zinc/69/51/75/804695175.db2.gz PNOYECNNALFFBD-IUCAKERBSA-N -1 1 290.190 3.044 20 0 CGADMM COc1ccc(F)cc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142542087 804734798 /nfs/dbraw/zinc/73/47/98/804734798.db2.gz LRISMLPBSVTMRX-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM O=C([O-])c1cc(Cl)ccc1CN1CCC[C@H]2C[C@H]21 ZINC001142669148 804752510 /nfs/dbraw/zinc/75/25/10/804752510.db2.gz ARJYAXZCMOWOCA-TVQRCGJNSA-N -1 1 265.740 3.023 20 0 CGADMM Cc1cc(F)cc(-c2noc(-c3ncccc3[O-])n2)c1F ZINC001212481028 815036241 /nfs/dbraw/zinc/03/62/41/815036241.db2.gz WCTWGJVZOCSJRT-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM CCC1(CNC(=O)NCc2ccc([O-])c(Cl)c2)CCC1 ZINC001248410507 804931279 /nfs/dbraw/zinc/93/12/79/804931279.db2.gz AFIIHWQOLLIGLS-UHFFFAOYSA-N -1 1 296.798 3.425 20 0 CGADMM C[C@@]1(CF)CC(F)(F)CN1Cc1c(F)cc([O-])cc1F ZINC001144544632 805001887 /nfs/dbraw/zinc/00/18/87/805001887.db2.gz AZVVAWZKMXUSAU-LBPRGKRZSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC001144553855 805002838 /nfs/dbraw/zinc/00/28/38/805002838.db2.gz SRYSCGRJEKFBJD-MRVPVSSYSA-N -1 1 295.251 3.445 20 0 CGADMM O=C1CCN(Cc2cc(F)c([O-])cc2F)[C@H]2CCCC[C@@H]12 ZINC001144646964 805021680 /nfs/dbraw/zinc/02/16/80/805021680.db2.gz SHAWHOJHUVZUGV-RISCZKNCSA-N -1 1 295.329 3.004 20 0 CGADMM [O-]c1cc(F)c(CN2CCCC(F)(F)[C@@H](F)C2)cc1F ZINC001144648166 805023192 /nfs/dbraw/zinc/02/31/92/805023192.db2.gz PAQJYYLXAGBWNF-LBPRGKRZSA-N -1 1 295.251 3.240 20 0 CGADMM CN(Cc1ccc(Cl)nc1)Cc1cc(F)c([O-])cc1F ZINC001144657662 805024164 /nfs/dbraw/zinc/02/41/64/805024164.db2.gz CINGNYMOECARNI-UHFFFAOYSA-N -1 1 298.720 3.351 20 0 CGADMM CN(Cc1ccsc1)Cc1sccc1C(=O)[O-] ZINC001144677898 805030505 /nfs/dbraw/zinc/03/05/05/805030505.db2.gz GYCVXXMKYDYGAC-UHFFFAOYSA-N -1 1 267.375 3.140 20 0 CGADMM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1ccc([O-])cn1 ZINC001166231595 807041416 /nfs/dbraw/zinc/04/14/16/807041416.db2.gz DSWLFFIYVHCSRE-INIZCTEOSA-N -1 1 296.370 3.381 20 0 CGADMM O=C(Cc1cccc2ncccc12)Nc1c([O-])cccc1F ZINC001146492873 805069424 /nfs/dbraw/zinc/06/94/24/805069424.db2.gz SKFYGENVJKBIJP-UHFFFAOYSA-N -1 1 296.301 3.261 20 0 CGADMM CC(=O)c1c(F)cccc1NC(=O)c1ccc(C)cc1[O-] ZINC001148500058 805191137 /nfs/dbraw/zinc/19/11/37/805191137.db2.gz JEWRBAGKYXFWST-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM CC[C@H](COC)NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148873582 805215026 /nfs/dbraw/zinc/21/50/26/805215026.db2.gz YLHZLIIEHIYJAA-CQSZACIVSA-N -1 1 299.370 3.214 20 0 CGADMM Cc1cc(C)c(NC(=O)c2ccc3cccnc3c2[O-])cn1 ZINC001149315242 805228857 /nfs/dbraw/zinc/22/88/57/805228857.db2.gz WOUQOFFNJXWPNA-UHFFFAOYSA-N -1 1 293.326 3.205 20 0 CGADMM CC1(C)CCCN1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249759535 805235977 /nfs/dbraw/zinc/23/59/77/805235977.db2.gz KHVQAQFZUYOSDA-UHFFFAOYSA-N -1 1 269.291 3.037 20 0 CGADMM COc1ccccc1C(=O)Cc1cc(F)c([O-])c(F)c1 ZINC001249891365 805283496 /nfs/dbraw/zinc/28/34/96/805283496.db2.gz KOCDITOOOMJUSP-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM CSc1nc(Nc2cccc3ccoc32)cc(=O)[n-]1 ZINC001249912222 805301847 /nfs/dbraw/zinc/30/18/47/805301847.db2.gz LHSOFUSSWDQMOU-UHFFFAOYSA-N -1 1 273.317 3.394 20 0 CGADMM Cc1ccnc(F)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249959525 805326091 /nfs/dbraw/zinc/32/60/91/805326091.db2.gz VZVURCRKGRSCNS-UHFFFAOYSA-N -1 1 272.201 3.396 20 0 CGADMM CCN(C)c1ccc(Nc2cc([O-])c(F)c(F)c2F)cn1 ZINC001249961817 805328283 /nfs/dbraw/zinc/32/82/83/805328283.db2.gz WHVDYIPNROKYGZ-UHFFFAOYSA-N -1 1 297.280 3.404 20 0 CGADMM COC(=O)c1ccc(Nc2cc([O-])c(F)c(F)c2F)cc1 ZINC001249962135 805328414 /nfs/dbraw/zinc/32/84/14/805328414.db2.gz HHJLBJYXUVYVSO-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM [O-]c1cc(Nc2ccnn2C2CCC2)c(F)c(F)c1F ZINC001249961154 805329808 /nfs/dbraw/zinc/32/98/08/805329808.db2.gz IQNLVRZTEUHPNX-UHFFFAOYSA-N -1 1 283.253 3.475 20 0 CGADMM [O-]c1cc(Nc2cccc3cnncc32)c(F)c(F)c1F ZINC001249964034 805330980 /nfs/dbraw/zinc/33/09/80/805330980.db2.gz WVNAUPNMULHURB-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM [O-]c1cc(Nc2ccccc2O)c(F)c(F)c1F ZINC001249964133 805332731 /nfs/dbraw/zinc/33/27/31/805332731.db2.gz ZLRQXVSRKBFXGO-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM Nc1cc2c(ccn2-c2cc([O-])c(F)c(F)c2F)c(F)c1 ZINC001249964953 805332752 /nfs/dbraw/zinc/33/27/52/805332752.db2.gz PNCVSGFQCPHOJG-UHFFFAOYSA-N -1 1 296.223 3.475 20 0 CGADMM CCOC(=O)CCCc1c(F)ccc([O-])c1Cl ZINC001249975701 805339174 /nfs/dbraw/zinc/33/91/74/805339174.db2.gz UHHUWKBRNAVQID-UHFFFAOYSA-N -1 1 260.692 3.071 20 0 CGADMM CCn1ncc(Nc2cc(Cl)c([O-])cc2F)c1C ZINC001250020648 805371616 /nfs/dbraw/zinc/37/16/16/805371616.db2.gz OPSYEUSXRACYOT-UHFFFAOYSA-N -1 1 269.707 3.453 20 0 CGADMM COC(=O)c1ncccc1Nc1cc(Cl)c([O-])cc1F ZINC001250020298 805371802 /nfs/dbraw/zinc/37/18/02/805371802.db2.gz JJNFQOLIHAEBQV-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM CCn1cnc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250023563 805375450 /nfs/dbraw/zinc/37/54/50/805375450.db2.gz PHSOTUADQIVKCM-UHFFFAOYSA-N -1 1 255.680 3.145 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@]2(C)c2ccccc2)c([O-])c1 ZINC001153419071 805395990 /nfs/dbraw/zinc/39/59/90/805395990.db2.gz CMPWDMVLCRECIY-GOSISDBHSA-N -1 1 296.370 3.247 20 0 CGADMM CCCCC(=O)[C@H](C)NC(=O)c1c([O-])ccc2ccccc21 ZINC001153510330 805399567 /nfs/dbraw/zinc/39/95/67/805399567.db2.gz MZPAOEKLVAEGLJ-LBPRGKRZSA-N -1 1 299.370 3.423 20 0 CGADMM CC1(C)C[C@H](NC(=O)c2c([O-])ccc3ccccc32)CCO1 ZINC001153503521 805400639 /nfs/dbraw/zinc/40/06/39/805400639.db2.gz AFFCSRRTVZTPNG-CYBMUJFWSA-N -1 1 299.370 3.233 20 0 CGADMM O=C(N[C@@H]1C[C@@H]1C1CC1)c1c([O-])ccc2ccccc21 ZINC001153513014 805402069 /nfs/dbraw/zinc/40/20/69/805402069.db2.gz XMGDDGLSOILQSN-ZIAGYGMSSA-N -1 1 267.328 3.074 20 0 CGADMM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccc([O-])cn1 ZINC001153783698 805415167 /nfs/dbraw/zinc/41/51/67/805415167.db2.gz MQJHPKLFWWIXGM-SJKOYZFVSA-N -1 1 296.370 3.231 20 0 CGADMM [O-]c1c(F)cc(C[C@H]2COc3ccccc3O2)cc1F ZINC001250173987 805460668 /nfs/dbraw/zinc/46/06/68/805460668.db2.gz BGZVWIDTBWYNJV-JTQLQIEISA-N -1 1 278.254 3.053 20 0 CGADMM [O-]c1ccc(F)c(Nc2ccc(F)nc2)c1Cl ZINC001250228372 805505123 /nfs/dbraw/zinc/50/51/23/805505123.db2.gz ZDOFMGWYENBUEY-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM [O-]c1ccc(F)c(Nc2ccccc2CO)c1Cl ZINC001250234103 805508192 /nfs/dbraw/zinc/50/81/92/805508192.db2.gz KYESJTDBNSKSME-UHFFFAOYSA-N -1 1 267.687 3.421 20 0 CGADMM CCOc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1CC ZINC001250284079 805539749 /nfs/dbraw/zinc/53/97/49/805539749.db2.gz PDBCAMBQGARIQE-UHFFFAOYSA-N -1 1 297.358 3.274 20 0 CGADMM C[C@@H]1CCCC[C@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001165807537 807019876 /nfs/dbraw/zinc/01/98/76/807019876.db2.gz NFXGZHUYZAOSJP-ZWNOBZJWSA-N -1 1 251.301 3.062 20 0 CGADMM CC[C@@H]1CCC[C@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001165800060 807020349 /nfs/dbraw/zinc/02/03/49/807020349.db2.gz HOTRCGRUEBPTNG-ZWNOBZJWSA-N -1 1 251.301 3.062 20 0 CGADMM O=S(=O)([N-]c1cccc2cc(F)cnc21)C1CCCC1 ZINC001259801975 807687039 /nfs/dbraw/zinc/68/70/39/807687039.db2.gz UNPXYNAOYNWHGT-UHFFFAOYSA-N -1 1 294.351 3.058 20 0 CGADMM Cc1cc(F)ncc1Nc1cc2ccc([O-])cc2oc1=O ZINC001212814522 815145216 /nfs/dbraw/zinc/14/52/16/815145216.db2.gz DRRCWQZZTUOJOZ-UHFFFAOYSA-N -1 1 286.262 3.085 20 0 CGADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@@H]1CC[C@H](C)C1 ZINC001170124762 807768789 /nfs/dbraw/zinc/76/87/89/807768789.db2.gz HQTHJSCLTHHCLI-WCQYABFASA-N -1 1 271.364 3.487 20 0 CGADMM CCC[C@@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC001262646458 807885227 /nfs/dbraw/zinc/88/52/27/807885227.db2.gz CLTUSJGGZOSZOL-CYBMUJFWSA-N -1 1 284.359 3.345 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cc(F)cc(F)c1 ZINC001173913677 808756567 /nfs/dbraw/zinc/75/65/67/808756567.db2.gz CIFPSKWIWIPFQF-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cc(F)ccc1F ZINC001173949404 808779404 /nfs/dbraw/zinc/77/94/04/808779404.db2.gz DECSSPYOXKKSKJ-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM CC(=O)Nc1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001173978002 808801291 /nfs/dbraw/zinc/80/12/91/808801291.db2.gz YDEIRESERFRKJT-UHFFFAOYSA-N -1 1 278.258 3.372 20 0 CGADMM CCOc1ccc2cc([N-]c3nnco3)ccc2c1 ZINC001174106477 808869219 /nfs/dbraw/zinc/86/92/19/808869219.db2.gz DHVQGRPOMNJUNO-UHFFFAOYSA-N -1 1 255.277 3.365 20 0 CGADMM Cc1nn(C)c(C)c1[N-]c1nc2ccc(F)cc2o1 ZINC001174223761 808911663 /nfs/dbraw/zinc/91/16/63/808911663.db2.gz DSKAGOUGGLHTBN-UHFFFAOYSA-N -1 1 260.272 3.061 20 0 CGADMM [O-]c1cc(Nc2cccc3n[nH]cc32)cc(F)c1F ZINC001174345703 808966628 /nfs/dbraw/zinc/96/66/28/808966628.db2.gz NUPWJFRFLUTVHT-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM [O-]c1cc(Nc2cccc3[nH]ncc32)cc(F)c1F ZINC001174345703 808966633 /nfs/dbraw/zinc/96/66/33/808966633.db2.gz NUPWJFRFLUTVHT-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM CC(C)CCn1cc(Nc2ccnc(Cl)c2[O-])cn1 ZINC001174413998 809007275 /nfs/dbraw/zinc/00/72/75/809007275.db2.gz PHMWWYGBEVAWFH-UHFFFAOYSA-N -1 1 280.759 3.427 20 0 CGADMM [O-]c1cc(Nc2cnc(C3CC3)nc2)cc(F)c1F ZINC001174618452 809106531 /nfs/dbraw/zinc/10/65/31/809106531.db2.gz XWZZBEZCNMADDP-UHFFFAOYSA-N -1 1 263.247 3.081 20 0 CGADMM Cc1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1C ZINC001174635786 809112678 /nfs/dbraw/zinc/11/26/78/809112678.db2.gz BMMKRDZABCWNNN-UHFFFAOYSA-N -1 1 291.372 3.156 20 0 CGADMM Nc1ccc(F)c(F)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213379335 815272827 /nfs/dbraw/zinc/27/28/27/815272827.db2.gz PUQBPDQXXHIAMR-UHFFFAOYSA-N -1 1 272.201 3.274 20 0 CGADMM O=c1ccn(-c2ccc(Nc3ccc(O)cc3)cc2)[n-]1 ZINC001175048013 809252509 /nfs/dbraw/zinc/25/25/09/809252509.db2.gz RYBINSGUUONLHP-UHFFFAOYSA-N -1 1 267.288 3.027 20 0 CGADMM COc1ccc(Nc2cc(F)c([O-])c(F)c2)c(O)c1 ZINC001213384570 815274663 /nfs/dbraw/zinc/27/46/63/815274663.db2.gz UETODCJSGYJNDI-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM COC(=O)c1c(F)cccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213381880 815274720 /nfs/dbraw/zinc/27/47/20/815274720.db2.gz MRRLTXBUPSVYGM-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM CCCCOc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001175242255 809321097 /nfs/dbraw/zinc/32/10/97/809321097.db2.gz JGYCYDBQHARUDP-UHFFFAOYSA-N -1 1 297.358 3.492 20 0 CGADMM CC(=O)c1ccncc1Nc1c(F)ccc([O-])c1F ZINC001175262554 809328419 /nfs/dbraw/zinc/32/84/19/809328419.db2.gz JYYVKEWDWNIPLF-UHFFFAOYSA-N -1 1 264.231 3.012 20 0 CGADMM C[C@H]1Cc2ccccc2N1C(=O)c1ccc(F)c([O-])c1 ZINC001290498537 809408883 /nfs/dbraw/zinc/40/88/83/809408883.db2.gz RCLAOOJYNVQRNJ-JTQLQIEISA-N -1 1 271.291 3.123 20 0 CGADMM CCOc1ccc(NC(=O)c2ccc(F)c([O-])c2)c(C)c1 ZINC001291846608 809424919 /nfs/dbraw/zinc/42/49/19/809424919.db2.gz IWXPOVKGQYIALW-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM CC[C@@H](C)[C@@H](NC(=O)c1cccc([O-])c1F)C(F)(F)F ZINC001297105021 809512489 /nfs/dbraw/zinc/51/24/89/809512489.db2.gz NBTMLNFYSSIWNC-RDDDGLTNSA-N -1 1 293.260 3.238 20 0 CGADMM CC[C@H]1CCC[C@@H]1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001298061129 809527129 /nfs/dbraw/zinc/52/71/29/809527129.db2.gz WQYXNYQPEKDMGU-QWHCGFSZSA-N -1 1 298.386 3.497 20 0 CGADMM CCC[C@@H](NC(=O)c1c([O-])cccc1F)C(C)(C)C ZINC001298072126 809527927 /nfs/dbraw/zinc/52/79/27/809527927.db2.gz BPMGCNGTXXYTBC-GFCCVEGCSA-N -1 1 267.344 3.476 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccc(F)c(F)c1 ZINC001298970655 809542232 /nfs/dbraw/zinc/54/22/32/809542232.db2.gz MVABOBYRIZLPKB-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM C/C(=C\C(=O)Nc1cc([O-])c(F)cc1F)c1ccco1 ZINC001298972725 809542721 /nfs/dbraw/zinc/54/27/21/809542721.db2.gz JDBWHKKJCJUXQQ-VMPITWQZSA-N -1 1 279.242 3.305 20 0 CGADMM CC(C)c1nnc([N-]c2cccc3c2ccn3C)o1 ZINC001175863759 809559666 /nfs/dbraw/zinc/55/96/66/809559666.db2.gz ZCEORTXLFYJXPM-UHFFFAOYSA-N -1 1 256.309 3.428 20 0 CGADMM CC[C@@H](C)CCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001300498749 809569680 /nfs/dbraw/zinc/56/96/80/809569680.db2.gz VRWGCNJODYMJJU-LLVKDONJSA-N -1 1 287.359 3.417 20 0 CGADMM CCc1ccc(NC(=O)c2ccc(CC)cc2[O-])nc1 ZINC001303009933 809603414 /nfs/dbraw/zinc/60/34/14/809603414.db2.gz XZIKNNCCRYHMEC-UHFFFAOYSA-N -1 1 270.332 3.164 20 0 CGADMM O=c1ccn(-c2ccc(Nc3cccc4c3OCC4)cc2)[n-]1 ZINC001176076647 809616594 /nfs/dbraw/zinc/61/65/94/809616594.db2.gz BHVNKILRZWFDTD-UHFFFAOYSA-N -1 1 293.326 3.256 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ncc(F)s2)c1F ZINC001176663460 809736858 /nfs/dbraw/zinc/73/68/58/809736858.db2.gz FLYLAKIBQYZIEW-UHFFFAOYSA-N -1 1 264.203 3.149 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2nccnc2C2CC2)c1F ZINC001176663542 809738121 /nfs/dbraw/zinc/73/81/21/809738121.db2.gz IYRODMCMLRGDBE-UHFFFAOYSA-N -1 1 281.237 3.221 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cnccc2F)c1F ZINC001176670169 809739742 /nfs/dbraw/zinc/73/97/42/809739742.db2.gz UCAXQELTFZBGCD-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM O=C(NCc1cscc1Cl)c1ccc([O-])cc1F ZINC001178013963 809839924 /nfs/dbraw/zinc/83/99/24/809839924.db2.gz VPKAQZUWOAKXQL-UHFFFAOYSA-N -1 1 285.727 3.176 20 0 CGADMM C[C@@H]1Cc2cc(NC(=O)c3cccc([O-])c3F)ccc2O1 ZINC001179509869 809926686 /nfs/dbraw/zinc/92/66/86/809926686.db2.gz MWQYXKJVSHPSFA-SECBINFHSA-N -1 1 287.290 3.107 20 0 CGADMM CC[C@@H](CC(C)C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183218462 810141287 /nfs/dbraw/zinc/14/12/87/810141287.db2.gz KVFXRRUIFARXEV-VIFPVBQESA-N -1 1 270.760 3.451 20 0 CGADMM C[C@@H](NC(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC001185013850 810229098 /nfs/dbraw/zinc/22/90/98/810229098.db2.gz YARSJNYVWUFZOX-SNVBAGLBSA-N -1 1 274.295 3.414 20 0 CGADMM Cc1cc(O)cc(C)c1NC(=O)c1ccc([O-])c(F)c1 ZINC001186226387 810321207 /nfs/dbraw/zinc/32/12/07/810321207.db2.gz NJIZQMLTTGFIBZ-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM O=C(Nc1nc2ccc(F)cc2o1)c1ccc([O-])cc1F ZINC001186311605 810326800 /nfs/dbraw/zinc/32/68/00/810326800.db2.gz ZWBICVDDIMIRAH-UHFFFAOYSA-N -1 1 290.225 3.064 20 0 CGADMM Cc1c[nH]cc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001187807286 810426831 /nfs/dbraw/zinc/42/68/31/810426831.db2.gz UNEWPJJGUNTDOF-UHFFFAOYSA-N -1 1 284.237 3.300 20 0 CGADMM Cc1ccc(Nc2ccc(F)c(F)c2[O-])c(N)c1 ZINC001214192467 815381071 /nfs/dbraw/zinc/38/10/71/815381071.db2.gz WLADRDDRDROKNY-UHFFFAOYSA-N -1 1 250.248 3.305 20 0 CGADMM Nc1ccc(F)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001214211483 815384972 /nfs/dbraw/zinc/38/49/72/815384972.db2.gz XQDUVLNYZRIMBL-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM Nc1ccc(F)cc1Nc1ccc(F)c(F)c1[O-] ZINC001214213708 815385395 /nfs/dbraw/zinc/38/53/95/815385395.db2.gz VWDCUNKDBRMEBF-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM O=S(=O)([N-]c1ccc2ccccc2c1)c1ccncc1 ZINC001190894238 810656215 /nfs/dbraw/zinc/65/62/15/810656215.db2.gz YLBOKCNFBJIZDO-UHFFFAOYSA-N -1 1 284.340 3.036 20 0 CGADMM Cc1cccc(CNC(=O)Nc2ccc(F)cc2[O-])c1 ZINC001190994438 810661971 /nfs/dbraw/zinc/66/19/71/810661971.db2.gz HZVOLWKNRAOXCL-UHFFFAOYSA-N -1 1 274.295 3.161 20 0 CGADMM CCc1nccnc1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192314496 810786417 /nfs/dbraw/zinc/78/64/17/810786417.db2.gz RWBLBPXVRQELSB-UHFFFAOYSA-N -1 1 299.374 3.294 20 0 CGADMM CC(C)OC(=O)Nc1ccc([O-])c(Br)c1 ZINC001193487485 810895401 /nfs/dbraw/zinc/89/54/01/810895401.db2.gz MOTZAGZAAFPFRH-UHFFFAOYSA-N -1 1 274.114 3.112 20 0 CGADMM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2N)c1 ZINC001193929248 810980092 /nfs/dbraw/zinc/98/00/92/810980092.db2.gz LVHKRXCEWCVNPG-UHFFFAOYSA-N -1 1 296.779 3.031 20 0 CGADMM CSc1ccc([N-]c2nonc2N)cc1C(F)(F)F ZINC001214469171 815414473 /nfs/dbraw/zinc/41/44/73/815414473.db2.gz XNEKANBZLIRIOB-UHFFFAOYSA-N -1 1 290.270 3.136 20 0 CGADMM CCn1cc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214480639 815415283 /nfs/dbraw/zinc/41/52/83/815415283.db2.gz WIZMCPNJGAWUNE-UHFFFAOYSA-N -1 1 255.680 3.145 20 0 CGADMM O=c1[nH]cccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214480686 815416405 /nfs/dbraw/zinc/41/64/05/815416405.db2.gz YNKRNCPUUKQYCI-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM Cc1cnn2cc(Nc3cc(F)c([O-])c(Cl)c3)cnc12 ZINC001214482666 815416544 /nfs/dbraw/zinc/41/65/44/815416544.db2.gz HTZVCBXIFLHIHV-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM CSc1nccc(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214480687 815416629 /nfs/dbraw/zinc/41/66/29/815416629.db2.gz YNQPNMVOYFRLIF-UHFFFAOYSA-N -1 1 285.731 3.440 20 0 CGADMM COc1cccc(CO)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214491697 815417476 /nfs/dbraw/zinc/41/74/76/815417476.db2.gz IDLSAIYKZRIBHY-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM Cc1csc(NC(=O)c2cc([O-])cnc2Cl)c1 ZINC001195297971 811239615 /nfs/dbraw/zinc/23/96/15/811239615.db2.gz LERHEKTYHSWCHG-UHFFFAOYSA-N -1 1 268.725 3.063 20 0 CGADMM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCCCC2)n1 ZINC001195322457 811242150 /nfs/dbraw/zinc/24/21/50/811242150.db2.gz BTSAVXFGYBKSCC-AWEZNQCLSA-N -1 1 288.391 3.281 20 0 CGADMM [O-]c1cc(F)c(NC(=S)NCc2ccccc2)c(F)c1 ZINC001195632249 811272708 /nfs/dbraw/zinc/27/27/08/811272708.db2.gz RDPWOIROSSETMZ-UHFFFAOYSA-N -1 1 294.326 3.157 20 0 CGADMM [O-]c1cc(F)ccc1NC(=S)NCC1CCCCC1 ZINC001199923783 811612980 /nfs/dbraw/zinc/61/29/80/811612980.db2.gz VOYCBYNMZISVQT-UHFFFAOYSA-N -1 1 282.384 3.398 20 0 CGADMM CC[C@H](C)CNC(=S)Nc1c(F)cc([O-])cc1F ZINC001200258129 811656401 /nfs/dbraw/zinc/65/64/01/811656401.db2.gz RWXFNSWOEMRIPI-ZETCQYMHSA-N -1 1 274.336 3.003 20 0 CGADMM [O-]c1cc(F)ccc1NC(=S)NC1CCCCC1 ZINC001200649872 811726865 /nfs/dbraw/zinc/72/68/65/811726865.db2.gz IACZRMLLTHNZIW-UHFFFAOYSA-N -1 1 268.357 3.150 20 0 CGADMM O=C(Nc1ccccc1F)Nc1cccc(F)c1[O-] ZINC001202002654 811994677 /nfs/dbraw/zinc/99/46/77/811994677.db2.gz PYBVVWCTCVNNBO-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM Cc1cccc(NC(=O)Nc2cc(Cl)ncc2[O-])c1 ZINC001202306995 812060733 /nfs/dbraw/zinc/06/07/33/812060733.db2.gz MVZGXISYEXCDJC-UHFFFAOYSA-N -1 1 277.711 3.393 20 0 CGADMM Cc1ccc(-c2noc(-c3ccc(O)cc3[O-])n2)cc1C ZINC001215299746 815504180 /nfs/dbraw/zinc/50/41/80/815504180.db2.gz CNUUXMMCXARAOF-UHFFFAOYSA-N -1 1 282.299 3.432 20 0 CGADMM Cc1ccc(C)c(NC(=O)NCC(=O)c2ccc([O-])cc2)c1 ZINC001202776383 812171965 /nfs/dbraw/zinc/17/19/65/812171965.db2.gz ZANMAAGYRAINMZ-UHFFFAOYSA-N -1 1 298.342 3.013 20 0 CGADMM COC(=O)c1ccccc1Nc1cc(F)c([O-])cc1F ZINC001215573178 815538988 /nfs/dbraw/zinc/53/89/88/815538988.db2.gz FQPDVCJASYBLSB-UHFFFAOYSA-N -1 1 279.242 3.201 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cccc(OC4CC4)c3)no2)nn1 ZINC001205299416 812939304 /nfs/dbraw/zinc/93/93/04/812939304.db2.gz UXLJUPUKZQNLOW-UHFFFAOYSA-N -1 1 296.286 3.001 20 0 CGADMM Cc1ccc(Nc2ccnc(Cl)c2[O-])c2c[nH]nc21 ZINC001215756665 815577743 /nfs/dbraw/zinc/57/77/43/815577743.db2.gz VOKOBNZOLUYODD-UHFFFAOYSA-N -1 1 274.711 3.369 20 0 CGADMM CSc1cc(C)nc(-c2ccc([O-])cc2F)n1 ZINC001206030229 813172580 /nfs/dbraw/zinc/17/25/80/813172580.db2.gz QNLSSTCKCUIJOA-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM [O-]c1ccc(CN2CCOCc3ccccc32)c(F)c1F ZINC001206091550 813197452 /nfs/dbraw/zinc/19/74/52/813197452.db2.gz NEAWAWZMWVRIIZ-UHFFFAOYSA-N -1 1 291.297 3.207 20 0 CGADMM [O-]c1cc(Nc2ccc3c(c2)OCC3)cc(F)c1F ZINC001206683637 813398181 /nfs/dbraw/zinc/39/81/81/813398181.db2.gz IGAUPPXHTLBIKG-UHFFFAOYSA-N -1 1 263.243 3.349 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc(F)c(CO)c1 ZINC001209882832 814186223 /nfs/dbraw/zinc/18/62/23/814186223.db2.gz XQGRKENKKQWDBS-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM CO[C@@H](C)c1cccc(-n2[n-]c(=O)c3ccc(N)cc32)c1 ZINC001209954321 814211474 /nfs/dbraw/zinc/21/14/74/814211474.db2.gz JUOPPMNWVUFBDR-JTQLQIEISA-N -1 1 283.331 3.021 20 0 CGADMM CN(C)c1ccccc1Nc1cc(F)c([O-])cc1F ZINC001209991047 814233347 /nfs/dbraw/zinc/23/33/47/814233347.db2.gz GONZGJHILMSFHY-UHFFFAOYSA-N -1 1 264.275 3.480 20 0 CGADMM COc1ccc2ccccc2c1[N-]c1nnc(C)o1 ZINC001210168737 814319116 /nfs/dbraw/zinc/31/91/16/814319116.db2.gz WXDUWFQKTDDMSJ-UHFFFAOYSA-N -1 1 255.277 3.283 20 0 CGADMM Nc1cc2cn(-c3cccc(Cl)c3[O-])nc2cc1F ZINC001210223237 814350300 /nfs/dbraw/zinc/35/03/00/814350300.db2.gz PMYWVBNVGPGKOD-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM Cc1cc(Nc2cc3ccc([O-])cc3oc2=O)c(C)o1 ZINC001210280969 814378154 /nfs/dbraw/zinc/37/81/54/814378154.db2.gz XJESUNRFHXZJQZ-UHFFFAOYSA-N -1 1 271.272 3.452 20 0 CGADMM Cc1ncc(Nc2cc([O-])c(Cl)cc2F)cc1N ZINC001210287937 814383838 /nfs/dbraw/zinc/38/38/38/814383838.db2.gz HTFCTQOHPMIMHT-UHFFFAOYSA-N -1 1 267.691 3.214 20 0 CGADMM CCc1ncccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001210469897 814475635 /nfs/dbraw/zinc/47/56/35/814475635.db2.gz SOPZMSRHSZNYTO-UHFFFAOYSA-N -1 1 280.331 3.279 20 0 CGADMM C[C@H](O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001210648781 814572189 /nfs/dbraw/zinc/57/21/89/814572189.db2.gz HXGSXUPMJNSYOO-QMMMGPOBSA-N -1 1 265.259 3.467 20 0 CGADMM COC(=O)c1c(C)ccnc1-c1cccc([O-])c1Cl ZINC001242797602 823135373 /nfs/dbraw/zinc/13/53/73/823135373.db2.gz KQZZAKNUFDUXPR-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM COC(=O)c1ccnc(-c2cccc([O-])c2Cl)c1C ZINC001242798325 823135811 /nfs/dbraw/zinc/13/58/11/823135811.db2.gz RZQSJZTVQOZVLD-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Cc1nc2ccc(-c3cccc([O-])c3Cl)nc2[nH]1 ZINC001242798753 823135841 /nfs/dbraw/zinc/13/58/41/823135841.db2.gz YCVSXPHGUPWESI-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM CCOC(=O)c1cccc(-c2cccc([O-])c2Cl)n1 ZINC001242798051 823135872 /nfs/dbraw/zinc/13/58/72/823135872.db2.gz PVAILBCULKFVGG-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM [O-]c1cccc(-c2ncnc3scnc32)c1Cl ZINC001242797782 823135233 /nfs/dbraw/zinc/13/52/33/823135233.db2.gz LVZXLVWJVNBANY-UHFFFAOYSA-N -1 1 263.709 3.112 20 0 CGADMM [O-]c1ccc(Cl)c(Nc2ccncn2)c1Cl ZINC001211029907 814712195 /nfs/dbraw/zinc/71/21/95/814712195.db2.gz IFANJNFDIOKQBE-UHFFFAOYSA-N -1 1 256.092 3.233 20 0 CGADMM CS(=O)(=O)Nc1cccc(-c2cccc([O-])c2Cl)c1 ZINC001242800241 823136698 /nfs/dbraw/zinc/13/66/98/823136698.db2.gz FVOBDZLHDWUHDB-UHFFFAOYSA-N -1 1 297.763 3.084 20 0 CGADMM O=C1Cc2ccc(-c3cccc([O-])c3Cl)cc2N1 ZINC001242799568 823136821 /nfs/dbraw/zinc/13/68/21/823136821.db2.gz RZDXPXLSBYBKHY-UHFFFAOYSA-N -1 1 259.692 3.207 20 0 CGADMM Cc1cn2cc(-c3cccc([O-])c3Cl)cnc2n1 ZINC001242799505 823136219 /nfs/dbraw/zinc/13/62/19/823136219.db2.gz OWRHXQOOZVQBCT-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM COc1cc(C)ccc1[N-]c1nnc(-c2ccco2)o1 ZINC001211115736 814751149 /nfs/dbraw/zinc/75/11/49/814751149.db2.gz IXQKJKCLHPPMGP-UHFFFAOYSA-N -1 1 271.276 3.390 20 0 CGADMM COc1ccc(-c2cccc([O-])c2Cl)c(OC)n1 ZINC001242799543 823136444 /nfs/dbraw/zinc/13/64/44/823136444.db2.gz QONHWXPNHLEDIA-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM CS(=O)(=O)c1cccc(-c2cccc([O-])c2Cl)c1 ZINC001242799854 823136507 /nfs/dbraw/zinc/13/65/07/823136507.db2.gz GERJZSLVNJNRLP-UHFFFAOYSA-N -1 1 282.748 3.116 20 0 CGADMM [O-]c1cccc(-c2cncc(N3CCCCC3)n2)c1Cl ZINC001242800455 823136527 /nfs/dbraw/zinc/13/65/27/823136527.db2.gz HJHJLYNOCPYSJT-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM [O-]c1cccc(-c2ncc3ncsc3n2)c1Cl ZINC001242801857 823137183 /nfs/dbraw/zinc/13/71/83/823137183.db2.gz ZAWRRDPLMWGPKU-UHFFFAOYSA-N -1 1 263.709 3.112 20 0 CGADMM CS(=O)(=O)Nc1ccccc1-c1cccc([O-])c1Cl ZINC001242801273 823137190 /nfs/dbraw/zinc/13/71/90/823137190.db2.gz WBMSXMXUGUJTLE-UHFFFAOYSA-N -1 1 297.763 3.084 20 0 CGADMM Cc1nc(C)c(F)c(-c2cccc([O-])c2Cl)n1 ZINC001242801666 823137319 /nfs/dbraw/zinc/13/73/19/823137319.db2.gz VMIICOXOOQUGCX-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM CSc1cncc(-c2cccc([O-])c2Cl)n1 ZINC001242801235 823137502 /nfs/dbraw/zinc/13/75/02/823137502.db2.gz OUSVMNMNGCIRDE-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM NC(=O)c1cnc2cc(-c3cccc([O-])c3Cl)ccc2c1 ZINC001242803650 823138477 /nfs/dbraw/zinc/13/84/77/823138477.db2.gz WLVMKBJISYGECN-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM Cc1ccc(-c2cccc([O-])c2Cl)cc1-c1nn[nH]n1 ZINC001242803443 823138500 /nfs/dbraw/zinc/13/85/00/823138500.db2.gz QHMHZKQHCVFFTJ-UHFFFAOYSA-N -1 1 286.722 3.201 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3cnncc32)cc1F ZINC001211360160 814886119 /nfs/dbraw/zinc/88/61/19/814886119.db2.gz OWDRKOMBJFELAP-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COC(=O)c1cc(Nc2c([O-])cc(F)cc2F)ccc1F ZINC001215853819 815613847 /nfs/dbraw/zinc/61/38/47/815613847.db2.gz UABMOCDXOVYPLH-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM COC(=O)c1cc(Nc2ccnc(Cl)c2[O-])ccc1F ZINC001215853501 815613944 /nfs/dbraw/zinc/61/39/44/815613944.db2.gz PWZLKOAIHMKFKV-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM CCc1cccc(C)c1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001242817876 823143963 /nfs/dbraw/zinc/14/39/63/823143963.db2.gz IFIJANWIPFGOIN-UHFFFAOYSA-N -1 1 276.272 3.027 20 0 CGADMM CCc1cccc(C)c1-c1ccc([P@](=O)([O-])O)cc1 ZINC001242817876 823143964 /nfs/dbraw/zinc/14/39/64/823143964.db2.gz IFIJANWIPFGOIN-UHFFFAOYSA-N -1 1 276.272 3.027 20 0 CGADMM CNc1cc(F)cc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001216183890 815724128 /nfs/dbraw/zinc/72/41/28/815724128.db2.gz DAPVTAISTVGSDN-UHFFFAOYSA-N -1 1 274.255 3.254 20 0 CGADMM CC(C)c1nnc([N-]c2cc(Cl)ccc2O)o1 ZINC001216396661 815811864 /nfs/dbraw/zinc/81/18/64/815811864.db2.gz OBCRPUZUZWRNEV-UHFFFAOYSA-N -1 1 253.689 3.296 20 0 CGADMM COc1ccc2cnc(-c3ccc(F)c([O-])c3)nc2c1 ZINC001243050364 823227654 /nfs/dbraw/zinc/22/76/54/823227654.db2.gz YJAGMZRFXAAFOH-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM Cc1cnc(-c2ccc(F)c([O-])c2)nc1NC(C)C ZINC001243051332 823227707 /nfs/dbraw/zinc/22/77/07/823227707.db2.gz QGBMXTORNRGVRZ-UHFFFAOYSA-N -1 1 261.300 3.117 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H](C)COc1ccccc1 ZINC001225615636 817112191 /nfs/dbraw/zinc/11/21/91/817112191.db2.gz CMKBJICFOYQCSG-GFCCVEGCSA-N -1 1 286.327 3.441 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCCc2cccnc21 ZINC001225617009 817113495 /nfs/dbraw/zinc/11/34/95/817113495.db2.gz SPUCIMCHRKQBSB-OAHLLOKOSA-N -1 1 283.327 3.446 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C)c1ccccc1 ZINC001225677027 817138066 /nfs/dbraw/zinc/13/80/66/817138066.db2.gz LNIDUUJPGKIMHT-NSHDSACASA-N -1 1 272.300 3.440 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CC[C@H](C)CC1 ZINC001225679406 817138202 /nfs/dbraw/zinc/13/82/02/817138202.db2.gz POLDPSJIAXOIJI-OTCDBFHCSA-N -1 1 264.321 3.258 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H]1CCCc2ccccc21 ZINC001226243223 817309008 /nfs/dbraw/zinc/30/90/08/817309008.db2.gz ZKEHSNHVEBYQDA-LBPRGKRZSA-N -1 1 288.372 3.230 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H](C)c1ccc(F)c(F)c1 ZINC001226246025 817309486 /nfs/dbraw/zinc/30/94/86/817309486.db2.gz NPAQANYIVFJZNC-ZETCQYMHSA-N -1 1 298.314 3.192 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H]3CCCC[C@@H]3F)c12 ZINC001226487127 817373586 /nfs/dbraw/zinc/37/35/86/817373586.db2.gz VHWFALNYUOKBDT-RYUDHWBXSA-N -1 1 292.306 3.467 20 0 CGADMM O=c1[n-]cncc1O[C@@H]1Cc2cccc3cccc1c23 ZINC001227049920 817543635 /nfs/dbraw/zinc/54/36/35/817543635.db2.gz YHRCUFNFEYQPKP-CYBMUJFWSA-N -1 1 264.284 3.012 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1C[C@H](C)CC[C@H]1C ZINC001227169387 817578839 /nfs/dbraw/zinc/57/88/39/817578839.db2.gz SNNUUSNWPLRARM-XHBSWPGZSA-N -1 1 292.375 3.425 20 0 CGADMM Cc1ccccc1[C@H](C)Oc1[n-]c(=S)ncc1F ZINC001227382874 817635483 /nfs/dbraw/zinc/63/54/83/817635483.db2.gz HDIHDSLKLXZOTF-VIFPVBQESA-N -1 1 264.325 3.353 20 0 CGADMM C[C@H](Oc1[n-]c(=S)ncc1F)c1ccccc1 ZINC001227384768 817636497 /nfs/dbraw/zinc/63/64/97/817636497.db2.gz FIZYKRNFMCVEEQ-QMMMGPOBSA-N -1 1 250.298 3.044 20 0 CGADMM Fc1cnc(=S)[n-]c1O[C@H]1CCC=CCCC1 ZINC001227384431 817636662 /nfs/dbraw/zinc/63/66/62/817636662.db2.gz ZIFMYWWMJNFIAL-VIFPVBQESA-N -1 1 254.330 3.172 20 0 CGADMM COc1cc2[nH]cnc2cc1-c1ccc(C(=O)[O-])cc1C ZINC001243204133 823289846 /nfs/dbraw/zinc/28/98/46/823289846.db2.gz FGLYYXUKLKQGNV-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)C1CCC1 ZINC001228560010 817939435 /nfs/dbraw/zinc/93/94/35/817939435.db2.gz IVQMYZRYZKBMEL-VIFPVBQESA-N -1 1 264.321 3.258 20 0 CGADMM S=c1nc2ccccc2c(OC(C2CC2)C2CC2)[n-]1 ZINC001228764471 818001662 /nfs/dbraw/zinc/00/16/62/818001662.db2.gz HRFPIDPUHIWJHL-UHFFFAOYSA-N -1 1 272.373 3.486 20 0 CGADMM CCN(Cc1cccnc1)Cc1cccc([O-])c1Cl ZINC001232788136 818442038 /nfs/dbraw/zinc/44/20/38/818442038.db2.gz HJPDWQAWVHKUDM-UHFFFAOYSA-N -1 1 276.767 3.463 20 0 CGADMM CN(Cc1ccsc1)Cc1cc([O-])c(F)c(F)c1 ZINC001232973083 818488734 /nfs/dbraw/zinc/48/87/34/818488734.db2.gz MEHUUHBCVUGPIJ-UHFFFAOYSA-N -1 1 269.316 3.364 20 0 CGADMM CC1(C)CN(Cc2cc([O-])c(F)c(F)c2)CC(C)(C)O1 ZINC001232975371 818490418 /nfs/dbraw/zinc/49/04/18/818490418.db2.gz HWOQUXYNMTZIPI-UHFFFAOYSA-N -1 1 285.334 3.060 20 0 CGADMM C[C@@]1(CF)CC(F)(F)CN1Cc1cc(Cl)ncc1[O-] ZINC001233033015 818506376 /nfs/dbraw/zinc/50/63/76/818506376.db2.gz XUEYCXPWDGMXGA-NSHDSACASA-N -1 1 294.704 3.010 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCc2c(F)cccc2C1 ZINC001233039465 818507574 /nfs/dbraw/zinc/50/75/74/818507574.db2.gz WSOPEHRBMCGDJH-UHFFFAOYSA-N -1 1 292.741 3.138 20 0 CGADMM Cc1ccnc(N2CCN(Cc3ccc([S-])cc3)CC2)c1 ZINC001233261281 818558064 /nfs/dbraw/zinc/55/80/64/818558064.db2.gz JECDEGCQPRYCDP-UHFFFAOYSA-N -1 1 299.443 3.001 20 0 CGADMM [O-]c1ccc(-c2cccc(C3COC3)c2)c(F)c1F ZINC001243342332 823357946 /nfs/dbraw/zinc/35/79/46/823357946.db2.gz HFMYCRQBZUKLQO-UHFFFAOYSA-N -1 1 262.255 3.451 20 0 CGADMM Cc1cc(-c2ccc([O-])c(F)c2F)c2nccn2c1 ZINC001243342962 823358530 /nfs/dbraw/zinc/35/85/30/823358530.db2.gz SAFZNUDKSOUFQJ-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM Cc1c(=O)cc[nH]c1OC(=C([O-])c1ccco1)c1ccco1 ZINC001234183445 818799541 /nfs/dbraw/zinc/79/95/41/818799541.db2.gz ZYWIBBUSWSVKKH-HNNXBMFYSA-N -1 1 299.282 3.285 20 0 CGADMM O=C([O-])/C=C/c1ccc(-c2cccn3cncc23)cc1 ZINC001235622979 819127980 /nfs/dbraw/zinc/12/79/80/819127980.db2.gz OWLGMPOCOOOEAV-VMPITWQZSA-N -1 1 264.284 3.099 20 0 CGADMM Cc1ccc(F)c(-c2nc(C(N)=O)cc3ccccc32)c1[O-] ZINC001236391695 819447204 /nfs/dbraw/zinc/44/72/04/819447204.db2.gz NJUAWGCJZRNDCT-UHFFFAOYSA-N -1 1 296.301 3.154 20 0 CGADMM CCSc1cncc(-c2c(F)ccc(C)c2[O-])n1 ZINC001236390771 819448000 /nfs/dbraw/zinc/44/80/00/819448000.db2.gz KCUGCDKOFRJBHP-UHFFFAOYSA-N -1 1 264.325 3.409 20 0 CGADMM CC(=O)Nc1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243503161 823421388 /nfs/dbraw/zinc/42/13/88/823421388.db2.gz QFEJYQZAKWAQRM-UHFFFAOYSA-N -1 1 263.243 3.296 20 0 CGADMM COc1ccc2nccc(-c3cc(F)cc(F)c3[O-])c2n1 ZINC001243503165 823421545 /nfs/dbraw/zinc/42/15/45/823421545.db2.gz QFZNSDWCJFQQAP-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM CSc1cnccc1-c1cc(F)cc(F)c1[O-] ZINC001243507301 823424630 /nfs/dbraw/zinc/42/46/30/823424630.db2.gz WLARFJCJHUXXFO-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc2cnncc2c1 ZINC001243503016 823421855 /nfs/dbraw/zinc/42/18/55/823421855.db2.gz FAFDAJZFNNHYHW-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1cc(-c2cc(F)cc(F)c2[O-])ccc1NC(C)=O ZINC001243504165 823422780 /nfs/dbraw/zinc/42/27/80/823422780.db2.gz JXZYSULSRPBTTM-UHFFFAOYSA-N -1 1 293.269 3.304 20 0 CGADMM O=c1c(-c2cc(F)cc(F)c2[O-])cccn1C1CCC1 ZINC001243505971 823424200 /nfs/dbraw/zinc/42/42/00/823424200.db2.gz XYMTWYBRVZVKBL-UHFFFAOYSA-N -1 1 277.270 3.224 20 0 CGADMM COc1nc(-c2cccc([O-])c2F)nc2ccsc21 ZINC001243543771 823436630 /nfs/dbraw/zinc/43/66/30/823436630.db2.gz XYZRCJTXBSYBNU-UHFFFAOYSA-N -1 1 276.292 3.212 20 0 CGADMM CO[C@H]1CCN(Cc2cc(F)c([O-])c(Cl)c2)[C@@H](C)C1 ZINC001237992199 819904427 /nfs/dbraw/zinc/90/44/27/819904427.db2.gz HYQLYLROSYQBAB-ONGXEEELSA-N -1 1 287.762 3.184 20 0 CGADMM CCOc1nc(-c2cccc([O-])c2F)nc2c1CCCC2 ZINC001243546849 823438969 /nfs/dbraw/zinc/43/89/69/823438969.db2.gz PVKRKZKZXVDUBX-UHFFFAOYSA-N -1 1 288.322 3.266 20 0 CGADMM CCCN(CCOC)Cc1cc(Cl)c([O-])cc1F ZINC001238143909 819940792 /nfs/dbraw/zinc/94/07/92/819940792.db2.gz QMQGCFFWMLIFBF-UHFFFAOYSA-N -1 1 275.751 3.043 20 0 CGADMM CCN(Cc1c(Br)ccc([O-])c1F)C1CC1 ZINC001238304586 819972112 /nfs/dbraw/zinc/97/21/12/819972112.db2.gz GIDXTFAMDJCZRS-UHFFFAOYSA-N -1 1 288.160 3.278 20 0 CGADMM CC(C)Oc1cnc(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243576205 823451171 /nfs/dbraw/zinc/45/11/71/823451171.db2.gz JEPLRWLKKFXVPG-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM CC(C)Oc1cc(-c2ccc(Cl)c([O-])c2)ncn1 ZINC001243577370 823452169 /nfs/dbraw/zinc/45/21/69/823452169.db2.gz YRIYUMUKCFYQKS-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM C[C@@H]1Oc2ccc(-c3ccc(Cl)c([O-])c3)cc2NC1=O ZINC001243577681 823452246 /nfs/dbraw/zinc/45/22/46/823452246.db2.gz BMUSWWVTVVIOAF-QMMMGPOBSA-N -1 1 289.718 3.432 20 0 CGADMM O=C1Nc2ncc(-c3ccc(Cl)c([O-])c3)cc2C12CC2 ZINC001243581622 823454062 /nfs/dbraw/zinc/45/40/62/823454062.db2.gz KNGKZRHABKLTTQ-UHFFFAOYSA-N -1 1 286.718 3.091 20 0 CGADMM CCOC(=O)Cc1ccncc1-c1ccc(Cl)c([O-])c1 ZINC001243583495 823454782 /nfs/dbraw/zinc/45/47/82/823454782.db2.gz PVUZFZWHJBDDQT-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM CN(C)Cc1cc(-c2ccc(C(=O)[O-])cc2F)ccc1F ZINC001239274845 820249617 /nfs/dbraw/zinc/24/96/17/820249617.db2.gz IDSWIRSREBQVKC-UHFFFAOYSA-N -1 1 291.297 3.392 20 0 CGADMM Cc1ccnnc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243609939 823466587 /nfs/dbraw/zinc/46/65/87/823466587.db2.gz YRTXIVWOOLJMII-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM CCOc1cnc(-c2ccc(C(F)(F)F)cc2[O-])cn1 ZINC001243611607 823467262 /nfs/dbraw/zinc/46/72/62/823467262.db2.gz OARXEQCQEOEJRT-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(F)cc3)ccc2[n-]1 ZINC001239474069 820323129 /nfs/dbraw/zinc/32/31/29/820323129.db2.gz BHUIXLLIGBEHTG-UHFFFAOYSA-N -1 1 270.263 3.156 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(F)cc3)cc2[n-]1 ZINC001239474069 820323140 /nfs/dbraw/zinc/32/31/40/820323140.db2.gz BHUIXLLIGBEHTG-UHFFFAOYSA-N -1 1 270.263 3.156 20 0 CGADMM [O-]c1ccc(F)cc1-c1ccc(-c2ccncc2)nn1 ZINC001240695798 821252100 /nfs/dbraw/zinc/25/21/00/821252100.db2.gz SNRMWCSNHAJQOI-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM CSc1nc2[nH]ccc2c(-c2ccc([O-])c(F)c2)n1 ZINC001240783133 821323556 /nfs/dbraw/zinc/32/35/56/821323556.db2.gz LREYZNQFORCOIL-UHFFFAOYSA-N -1 1 275.308 3.143 20 0 CGADMM [O-]c1ccc(-c2nc(CC3CC3)nc3[nH]ccc32)cc1F ZINC001240786078 821325389 /nfs/dbraw/zinc/32/53/89/821325389.db2.gz KXHQAVPIBCSVNL-UHFFFAOYSA-N -1 1 283.306 3.374 20 0 CGADMM CCCSc1cncc(-c2ccc([O-])c(F)c2)n1 ZINC001240786445 821327067 /nfs/dbraw/zinc/32/70/67/821327067.db2.gz SVLAGALDAZXQEO-UHFFFAOYSA-N -1 1 264.325 3.490 20 0 CGADMM [O-]c1ccc(-c2cncnc2C(F)(F)F)cc1F ZINC001240787152 821328847 /nfs/dbraw/zinc/32/88/47/821328847.db2.gz OMJIPUHRLQOWPF-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM O=c1c(-c2ccc([O-])c(F)c2)cccn1-c1ccccc1 ZINC001240790090 821331771 /nfs/dbraw/zinc/33/17/71/821331771.db2.gz KLJVVDHCZPJYCV-UHFFFAOYSA-N -1 1 281.286 3.349 20 0 CGADMM CN1CCc2c(F)cc(-c3ccc(CC(=O)[O-])cc3)cc2C1 ZINC001240977552 821461385 /nfs/dbraw/zinc/46/13/85/821461385.db2.gz LAKIVKUNSGHLBP-UHFFFAOYSA-N -1 1 299.345 3.108 20 0 CGADMM CC(C)c1cncnc1-c1c(F)cc([O-])cc1F ZINC001241118094 821572863 /nfs/dbraw/zinc/57/28/63/821572863.db2.gz HCMQOQPABBMDJW-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM [O-]c1cc(F)c(-c2cc(-c3cccnc3)ncn2)c(F)c1 ZINC001241120452 821575831 /nfs/dbraw/zinc/57/58/31/821575831.db2.gz VJUZUFMWVMKGDX-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM COc1cc(OC)c(-c2c(F)cc([O-])cc2F)c(OC)c1 ZINC001241120728 821576205 /nfs/dbraw/zinc/57/62/05/821576205.db2.gz INPNKFYKLOAXHW-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(-c3nnco3)cc2)c(F)c1 ZINC001241120568 821576274 /nfs/dbraw/zinc/57/62/74/821576274.db2.gz ASKDJGGTEBSRHM-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM Cn1cnc2c1cccc2-c1c(F)cc([O-])cc1F ZINC001241120790 821576895 /nfs/dbraw/zinc/57/68/95/821576895.db2.gz LJTQSZFKWMYQIQ-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM COc1nccc(-c2c(F)cc([O-])cc2F)c1C ZINC001241122809 821580201 /nfs/dbraw/zinc/58/02/01/821580201.db2.gz MCNJUICIZURXAX-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM Cc1cc2nc[nH]c2cc1-c1ccc(F)c(C(=O)[O-])c1 ZINC001241246110 821667912 /nfs/dbraw/zinc/66/79/12/821667912.db2.gz WIRIPLFQCIRASW-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM COc1ccc2c(C)nc(-c3cc([O-])cc(F)c3)nc2c1 ZINC001241255788 821675963 /nfs/dbraw/zinc/67/59/63/821675963.db2.gz DJIGAKUCKMHJKG-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM CC(C)(C)Oc1ccnc(-c2cc([O-])cc(F)c2)n1 ZINC001241256407 821676839 /nfs/dbraw/zinc/67/68/39/821676839.db2.gz URMWZEGHFQYCCX-UHFFFAOYSA-N -1 1 262.284 3.166 20 0 CGADMM COc1cccc2cnc(-c3cc([O-])cc(F)c3)nc21 ZINC001241256380 821676980 /nfs/dbraw/zinc/67/69/80/821676980.db2.gz SAOVRLOTQWQRKU-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM Cc1cc(N2CCCC2)nc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290352 821707033 /nfs/dbraw/zinc/70/70/33/821707033.db2.gz KRIVCCZMCMGRQY-UHFFFAOYSA-N -1 1 291.301 3.036 20 0 CGADMM CC(C)(C)c1ccnc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291474 821708279 /nfs/dbraw/zinc/70/82/79/821708279.db2.gz MGSXROWDLMFGII-UHFFFAOYSA-N -1 1 264.275 3.425 20 0 CGADMM CCOC(=O)c1cc(F)cnc1-c1c(F)ccc([O-])c1F ZINC001241291527 821708351 /nfs/dbraw/zinc/70/83/51/821708351.db2.gz OKYOFCAIZCTJBC-UHFFFAOYSA-N -1 1 297.232 3.048 20 0 CGADMM Cc1cc(-c2cccc(C(=O)[O-])c2)cc2nc[nH]c21 ZINC001241359550 821761049 /nfs/dbraw/zinc/76/10/49/821761049.db2.gz MQIMKGBLJCOCIJ-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ncnc2[nH]ccc21 ZINC001242125999 822886618 /nfs/dbraw/zinc/88/66/18/822886618.db2.gz FHNHAKZYHUIOOC-UHFFFAOYSA-N -1 1 279.221 3.301 20 0 CGADMM Cc1cc(-c2cc(C(F)(F)F)ccc2[O-])nnc1C ZINC001242132327 822889775 /nfs/dbraw/zinc/88/97/75/822889775.db2.gz RIZBGRCUXSGZFG-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM [O-]c1ccc(-c2ncnc3c2CCC3)cc1C(F)(F)F ZINC001242148391 822894453 /nfs/dbraw/zinc/89/44/53/822894453.db2.gz WSWRPIZUUDPIAW-UHFFFAOYSA-N -1 1 280.249 3.357 20 0 CGADMM CC(C)n1cc(-c2ccc([O-])c(C(F)(F)F)c2)ncc1=O ZINC001242168801 822901012 /nfs/dbraw/zinc/90/10/12/822901012.db2.gz UENAXWPBNWRODG-UHFFFAOYSA-N -1 1 298.264 3.216 20 0 CGADMM COC(=O)c1c(C)cccc1-c1ccc(F)cc1[O-] ZINC001242217068 822914565 /nfs/dbraw/zinc/91/45/65/822914565.db2.gz KUOOFKFUJKQEET-UHFFFAOYSA-N -1 1 260.264 3.293 20 0 CGADMM CCS(=O)(=O)c1ccc(F)c(-c2ccc(F)cc2[O-])c1 ZINC001242219074 822915759 /nfs/dbraw/zinc/91/57/59/822915759.db2.gz IWJHWWPGLXBNIA-UHFFFAOYSA-N -1 1 298.310 3.131 20 0 CGADMM [O-]c1c(F)cccc1-c1cnc(C(F)(F)F)nc1 ZINC001242351338 822961470 /nfs/dbraw/zinc/96/14/70/822961470.db2.gz GYDFLTWPKCNBJQ-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM CCOc1ccc(-c2cccc(F)c2[O-])c(OCC)n1 ZINC001242352941 822962601 /nfs/dbraw/zinc/96/26/01/822962601.db2.gz HTWOBPNJIONGGS-UHFFFAOYSA-N -1 1 277.295 3.391 20 0 CGADMM [O-]c1c(F)cccc1-c1ccc(C(F)(F)F)n2ncnc12 ZINC001242353196 822962623 /nfs/dbraw/zinc/96/26/23/822962623.db2.gz CXRZNGKQCTXTOQ-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM NC(=S)c1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001242365493 822968740 /nfs/dbraw/zinc/96/87/40/822968740.db2.gz FJZNLZBAXGYGIB-UHFFFAOYSA-N -1 1 263.749 3.347 20 0 CGADMM CCc1nnc2ccc(-c3cccc(Cl)c3[O-])cn21 ZINC001242367021 822969464 /nfs/dbraw/zinc/96/94/64/822969464.db2.gz VJEGUTZKDMNBRX-UHFFFAOYSA-N -1 1 273.723 3.318 20 0 CGADMM NC(=O)c1cnc2cc(-c3cccc(Cl)c3[O-])ccc2c1 ZINC001242367676 822969573 /nfs/dbraw/zinc/96/95/73/822969573.db2.gz PRRNWKDYDLLISJ-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM CC(C)[C@@H]1C[C@H](NCc2cc(C(=O)[O-])n[nH]2)c2ccccc21 ZINC001350622116 936996096 /nfs/dbraw/zinc/99/60/96/936996096.db2.gz BAPMRQXVGDOXHW-GJZGRUSLSA-N -1 1 299.374 3.082 20 0 CGADMM Cc1noc([N-][C@H](C)c2nc3ccccc3n2C(F)F)n1 ZINC001354072310 937088698 /nfs/dbraw/zinc/08/86/98/937088698.db2.gz VMCDXHOTVCVERQ-SSDOTTSWSA-N -1 1 293.277 3.296 20 0 CGADMM CC[C@@H](C)CN(CC)C(=O)c1ccc([O-])cc1F ZINC000164470119 926705348 /nfs/dbraw/zinc/70/53/48/926705348.db2.gz CHPYNKGGOBPUJV-SNVBAGLBSA-N -1 1 253.317 3.040 20 0 CGADMM Cc1ccc(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)o1 ZINC000692436295 926818984 /nfs/dbraw/zinc/81/89/84/926818984.db2.gz JJPIBIUFQIWWRQ-UHFFFAOYSA-N -1 1 273.332 3.065 20 0 CGADMM Oc1cccc(C[N@H+]2CCO[C@@H](C3CC3)CC2)c1Cl ZINC001551245433 928832889 /nfs/dbraw/zinc/83/28/89/928832889.db2.gz ZTLOAQITNDVYNB-CQSZACIVSA-N -1 1 281.783 3.047 20 0 CGADMM CC(C)C[C@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC001440791219 937333778 /nfs/dbraw/zinc/33/37/78/937333778.db2.gz UEPMOGMZRWXDEI-AWEZNQCLSA-N -1 1 284.359 3.304 20 0 CGADMM O=C(N[C@H]1CSc2ccccc21)c1ccc(F)c([O-])c1 ZINC001444470189 937352972 /nfs/dbraw/zinc/35/29/72/937352972.db2.gz RONJDJVOSRGALO-LBPRGKRZSA-N -1 1 289.331 3.108 20 0 CGADMM CS[C@@H](CNC(=O)c1ccc(F)c([O-])c1)C(C)(C)C ZINC001447625495 937369711 /nfs/dbraw/zinc/36/97/11/937369711.db2.gz DSORYZPPKJPCEJ-LBPRGKRZSA-N -1 1 285.384 3.039 20 0 CGADMM CSCCCCCCNC(=O)c1ccc(F)c([O-])c1 ZINC001447627974 937369878 /nfs/dbraw/zinc/36/98/78/937369878.db2.gz AZZGIVMJPBITMC-UHFFFAOYSA-N -1 1 285.384 3.185 20 0 CGADMM CC1(C)[C@@H](CNC(=O)c2ccc(Cl)cc2[O-])C1(F)F ZINC001453987728 937406265 /nfs/dbraw/zinc/40/62/65/937406265.db2.gz MRBJKAAURMSPTG-SNVBAGLBSA-N -1 1 289.709 3.067 20 0 CGADMM C[C@H](Cc1ccc(F)cc1)C(=O)[N-]Oc1ccc(F)cc1 ZINC001453036047 937400328 /nfs/dbraw/zinc/40/03/28/937400328.db2.gz RGXFDUIIHIEZJH-LLVKDONJSA-N -1 1 291.297 3.254 20 0 CGADMM C[C@H]1C[C@H](CNC(=O)c2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC001453059112 937400389 /nfs/dbraw/zinc/40/03/89/937400389.db2.gz QVPVAFVDKXRNKV-GDNZZTSVSA-N -1 1 279.355 3.333 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CSc2ccccc21 ZINC001454758816 937412278 /nfs/dbraw/zinc/41/22/78/937412278.db2.gz RSOVJADWKUWLIV-SNVBAGLBSA-N -1 1 289.331 3.359 20 0 CGADMM O=C(NCc1cscc1Cl)c1ccc([O-])c(F)c1 ZINC001455862071 937422774 /nfs/dbraw/zinc/42/27/74/937422774.db2.gz UHBXHLKGHLNROW-UHFFFAOYSA-N -1 1 285.727 3.176 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(F)c([O-])c2)[C@H]2CCCC[C@@H]12 ZINC001546120171 937553337 /nfs/dbraw/zinc/55/33/37/937553337.db2.gz FCTSEVRXXBBKCQ-OSMZGAPFSA-N -1 1 277.339 3.182 20 0 CGADMM CC1=C[C@@H](Oc2cc([O-])c(Cl)cc2Cl)CC(=O)O1 ZINC001229410269 932148024 /nfs/dbraw/zinc/14/80/24/932148024.db2.gz JRWDLIYHCCLSNV-SSDOTTSWSA-N -1 1 289.114 3.297 20 0 CGADMM COC(=O)c1c[n-]c(O[C@@H](C)c2cccc3ccccc32)n1 ZINC001230280407 932551187 /nfs/dbraw/zinc/55/11/87/932551187.db2.gz RYWFLIAKWMIUOK-NSHDSACASA-N -1 1 296.326 3.490 20 0 CGADMM Clc1cc2[n-]c(OC3CCC3)nc2c(Cl)n1 ZINC001231044682 932664496 /nfs/dbraw/zinc/66/44/96/932664496.db2.gz NMVJYHZBRCVACS-UHFFFAOYSA-N -1 1 258.108 3.196 20 0 CGADMM Clc1cc2[n-]c(O[C@@H]3C=CCC3)nc2c(Cl)n1 ZINC001231049711 932665991 /nfs/dbraw/zinc/66/59/91/932665991.db2.gz NIPQOEFVKIMXIF-ZCFIWIBFSA-N -1 1 270.119 3.362 20 0 CGADMM Clc1cc2nc(O[C@@H]3C=CCC3)[n-]c2c(Cl)n1 ZINC001231049711 932665993 /nfs/dbraw/zinc/66/59/93/932665993.db2.gz NIPQOEFVKIMXIF-ZCFIWIBFSA-N -1 1 270.119 3.362 20 0 CGADMM [O-]c1ccc(CN2CCOc3cc(F)ccc32)c(F)c1F ZINC001462101816 937618200 /nfs/dbraw/zinc/61/82/00/937618200.db2.gz GEAGIGIQEJPFKA-UHFFFAOYSA-N -1 1 295.260 3.209 20 0 CGADMM Cc1cccc(C)c1CN(C)C(=O)c1ccc(F)c([O-])c1 ZINC001304184178 932845768 /nfs/dbraw/zinc/84/57/68/932845768.db2.gz LWMXHXOXEMJOHD-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM COCc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1F ZINC001306799827 932886847 /nfs/dbraw/zinc/88/68/47/932886847.db2.gz SLZNVSAYVPPTIB-UHFFFAOYSA-N -1 1 293.269 3.069 20 0 CGADMM CC(C)(C)C(F)(F)CNCc1ccc([O-])c(F)c1F ZINC001308877249 933195583 /nfs/dbraw/zinc/19/55/83/933195583.db2.gz PAFDJCOPLJFNBC-UHFFFAOYSA-N -1 1 279.277 3.441 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H]2CCC[C@@H](C)C2)c1 ZINC001464465656 937691260 /nfs/dbraw/zinc/69/12/60/937691260.db2.gz CZWRUCQWJMQDOU-DGCLKSJQSA-N -1 1 289.375 3.069 20 0 CGADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cccc([O-])c1F ZINC001465153171 937698418 /nfs/dbraw/zinc/69/84/18/937698418.db2.gz HUMVMJHQIVHSMC-VXGBXAGGSA-N -1 1 279.355 3.478 20 0 CGADMM CC1(C)CCCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001465511823 937701277 /nfs/dbraw/zinc/70/12/77/937701277.db2.gz HZHSXPVAISWFJQ-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM Cc1cnc(C(=O)N[C@]2(C)CCCc3ccccc32)c([O-])c1 ZINC001466334745 937708007 /nfs/dbraw/zinc/70/80/07/937708007.db2.gz OSDDKXJKMJFIED-GOSISDBHSA-N -1 1 296.370 3.077 20 0 CGADMM CCC(CC)(CC)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001319144651 933832496 /nfs/dbraw/zinc/83/24/96/933832496.db2.gz SPYNQJAZUUFKLF-UHFFFAOYSA-N -1 1 294.347 3.040 20 0 CGADMM Cc1ccncc1/C=C\C(=O)Nc1ccc([O-])c(F)c1F ZINC001468004183 937723768 /nfs/dbraw/zinc/72/37/68/937723768.db2.gz ZSNKXAWGWZTTAO-DJWKRKHSSA-N -1 1 290.269 3.026 20 0 CGADMM Cc1ccsc1CCNC(=O)c1cc(Cl)ccc1[O-] ZINC001546179292 937749983 /nfs/dbraw/zinc/74/99/83/937749983.db2.gz GGINQNKFYWCPBV-UHFFFAOYSA-N -1 1 295.791 3.388 20 0 CGADMM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cccc(F)c1[O-] ZINC001471166894 937762141 /nfs/dbraw/zinc/76/21/41/937762141.db2.gz SVIUBEPWFWPXHL-JTQLQIEISA-N -1 1 291.297 3.488 20 0 CGADMM O=C(Cc1ccc(F)cc1)NCc1ccc([O-])c(Cl)c1 ZINC001471699640 937768318 /nfs/dbraw/zinc/76/83/18/937768318.db2.gz MDSBPTUDBKQEES-UHFFFAOYSA-N -1 1 293.725 3.044 20 0 CGADMM Cc1cn(CC(=O)Nc2ccc(F)cc2[O-])c2ccccc12 ZINC001324046940 934453547 /nfs/dbraw/zinc/45/35/47/934453547.db2.gz BZIOKCLPIVGXDJ-UHFFFAOYSA-N -1 1 298.317 3.433 20 0 CGADMM C[C@H](F)CCNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001472568923 937777646 /nfs/dbraw/zinc/77/76/46/937777646.db2.gz KTZKZCWTYVLYLY-QMMMGPOBSA-N -1 1 296.729 3.072 20 0 CGADMM CS[C@@H]1CC[C@H]([N@@H+](C)Cc2c(F)ccc(O)c2F)C1 ZINC001325010094 934881619 /nfs/dbraw/zinc/88/16/19/934881619.db2.gz FXQBNBSQAZXNEO-VHSXEESVSA-N -1 1 287.375 3.386 20 0 CGADMM C[C@@H]1CCc2[n-]n(C[C@@H]3CCCC3(F)F)c(=O)c2C1 ZINC001330066675 935265134 /nfs/dbraw/zinc/26/51/34/935265134.db2.gz FZVBHFPGUTXVEE-OUAUKWLOSA-N -1 1 270.323 3.056 20 0 CGADMM O=C(C[C@H]1CC=CCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001335598056 936154932 /nfs/dbraw/zinc/15/49/32/936154932.db2.gz LVJJZNYHVDMSOO-LBPRGKRZSA-N -1 1 297.358 3.467 20 0 CGADMM Cc1cccnc1[C@@H](C)NCc1ccc([O-])c(F)c1F ZINC001474748367 937878960 /nfs/dbraw/zinc/87/89/60/937878960.db2.gz MWQCMBOGMYKYCP-SNVBAGLBSA-N -1 1 278.302 3.225 20 0 CGADMM Cc1nocc1[N-]C(=O)c1csc(-c2ccccc2)n1 ZINC001530846947 938079771 /nfs/dbraw/zinc/07/97/71/938079771.db2.gz LYEPENVJDSIMHM-UHFFFAOYSA-N -1 1 285.328 3.359 20 0 CGADMM CN(C(=O)c1ccc(F)c([O-])c1)C1CCCCCC1 ZINC001540711584 938133272 /nfs/dbraw/zinc/13/32/72/938133272.db2.gz XPJVYIWXTXYZFA-UHFFFAOYSA-N -1 1 265.328 3.326 20 0 CGADMM O=C(Nc1cccc(-c2nccs2)c1)c1ccc([O-])cn1 ZINC001543278879 938138645 /nfs/dbraw/zinc/13/86/45/938138645.db2.gz NMTRVCPTTSGKJJ-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM CCCCC[C@H](C)CC(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC001544578525 938145954 /nfs/dbraw/zinc/14/59/54/938145954.db2.gz FSAOPZFOFUTTFO-NSHDSACASA-N -1 1 295.383 3.131 20 0 CGADMM CCCCC[C@H](C)CC(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001544578525 938145955 /nfs/dbraw/zinc/14/59/55/938145955.db2.gz FSAOPZFOFUTTFO-NSHDSACASA-N -1 1 295.383 3.131 20 0 CGADMM CC1(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCC1 ZINC001545172377 938148906 /nfs/dbraw/zinc/14/89/06/938148906.db2.gz ZPPVRFCEXXIZKE-UHFFFAOYSA-N -1 1 287.281 3.331 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H]1C1CCCCC1 ZINC001551752060 938185419 /nfs/dbraw/zinc/18/54/19/938185419.db2.gz SZMCLOQQZZQFDU-GFCCVEGCSA-N -1 1 295.329 3.465 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCCC12CCOCC2 ZINC001553605703 938200009 /nfs/dbraw/zinc/20/00/09/938200009.db2.gz GCCOCIJZBTVESP-LLVKDONJSA-N -1 1 293.338 3.067 20 0 CGADMM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC001556810072 938205838 /nfs/dbraw/zinc/20/58/38/938205838.db2.gz ZATKPBFNMAZZHE-VXGBXAGGSA-N -1 1 279.355 3.478 20 0 CGADMM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1cccc([O-])c1F ZINC001556847632 938206042 /nfs/dbraw/zinc/20/60/42/938206042.db2.gz MUJPGBIOXYNADN-NEPJUHHUSA-N -1 1 295.354 3.361 20 0 CGADMM CCCOc1ccc(NC(=O)c2ccc([O-])cn2)cc1C ZINC001557772167 938211770 /nfs/dbraw/zinc/21/17/70/938211770.db2.gz DOODCHJKTQEYED-UHFFFAOYSA-N -1 1 286.331 3.137 20 0 CGADMM C[C@@]1(CNC(=O)c2cc3ccccc3cc2[O-])CCCCO1 ZINC001558627769 938216710 /nfs/dbraw/zinc/21/67/10/938216710.db2.gz KRVPVTUWUBTBFC-SFHVURJKSA-N -1 1 299.370 3.234 20 0 CGADMM O=C(CCc1ccccn1)Nc1cc(F)c([O-])cc1Cl ZINC001558643902 938216914 /nfs/dbraw/zinc/21/69/14/938216914.db2.gz MCJNCTUDGYWUHE-UHFFFAOYSA-N -1 1 294.713 3.151 20 0 CGADMM C=C/C=C\CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC001558644604 938216967 /nfs/dbraw/zinc/21/69/67/938216967.db2.gz RFADSWFGQFHHLH-ARJAWSKDSA-N -1 1 255.676 3.256 20 0 CGADMM Cc1cccnc1[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC001558782058 938217668 /nfs/dbraw/zinc/21/76/68/938217668.db2.gz LOVPJNFFSDFSKE-SNVBAGLBSA-N -1 1 290.750 3.240 20 0 CGADMM Cc1cc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cnc1F ZINC001560551811 938262488 /nfs/dbraw/zinc/26/24/88/938262488.db2.gz GDVVQTJCYOVERM-UHFFFAOYSA-N -1 1 298.321 3.033 20 0 CGADMM O=C([O-])c1ccc(CN[C@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001595232035 949351394 /nfs/dbraw/zinc/35/13/94/949351394.db2.gz BQDSWPHSHROLGF-DOTOQJQBSA-N -1 1 285.318 3.112 20 0 CGADMM O=C([O-])c1ccccc1-c1nc2ccc(F)cc2[nH]1 ZINC000037438944 957289202 /nfs/dbraw/zinc/28/92/02/957289202.db2.gz XAZYBCVJTHNVIH-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM CC(C)(C)[C@@H]1CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC001347711141 957685413 /nfs/dbraw/zinc/68/54/13/957685413.db2.gz AHMUXXOZZRCFRM-LBPRGKRZSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(NC1CC(Cl)(Cl)C1)c1cc(Cl)ccc1[O-] ZINC001156836555 958827854 /nfs/dbraw/zinc/82/78/54/958827854.db2.gz LGBDDXXSYIYABN-UHFFFAOYSA-N -1 1 294.565 3.112 20 0 CGADMM C[N@@H+](Cc1ccc(C(C)(C)C)s1)C(C)(C)C(=O)[O-] ZINC000166280817 959302720 /nfs/dbraw/zinc/30/27/20/959302720.db2.gz OEFYUTXCPJWQTG-UHFFFAOYSA-N -1 1 269.410 3.341 20 0 CGADMM C[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000232424463 960265497 /nfs/dbraw/zinc/26/54/97/960265497.db2.gz JATZHFFHHWPPOR-MNOVXSKESA-N -1 1 259.305 3.390 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCCCCCC1 ZINC001593738339 960510812 /nfs/dbraw/zinc/51/08/12/960510812.db2.gz ZSGRINKIEAWWGI-JTQLQIEISA-N -1 1 268.382 3.168 20 0 CGADMM CC[C@@H](C)[C@H](C)N(Cc1ncc(C(=O)[O-])s1)C1CC1 ZINC001594880620 960521567 /nfs/dbraw/zinc/52/15/67/960521567.db2.gz CKBZEPVPIZASLB-ZJUUUORDSA-N -1 1 282.409 3.240 20 0 CGADMM C[C@@H]1CN(C(=O)c2cccc([O-])c2F)[C@@H]1c1ccccc1 ZINC001566098815 960875106 /nfs/dbraw/zinc/87/51/06/960875106.db2.gz AZBIFAGBEYHUTH-BZNIZROVSA-N -1 1 285.318 3.365 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc2cc[nH]c2c1 ZINC001566589025 960960647 /nfs/dbraw/zinc/96/06/47/960960647.db2.gz NJLRSVXJYVMWRM-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM Cc1cnc(C(=O)NCc2cc3ccccc3s2)c([O-])c1 ZINC001569592443 961800220 /nfs/dbraw/zinc/80/02/20/961800220.db2.gz QPWVIHYKQGPQTQ-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM CC[C@H](NC(=O)c1cc(C)cc(C=O)c1[O-])[C@@H]1CC1(C)C ZINC001570452799 961967597 /nfs/dbraw/zinc/96/75/97/961967597.db2.gz ZIXCICOGVIOCGW-KBPBESRZSA-N -1 1 289.375 3.068 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1coc(C(F)F)c1 ZINC001570465466 961975609 /nfs/dbraw/zinc/97/56/09/961975609.db2.gz ANARQBZINQERFU-UHFFFAOYSA-N -1 1 289.184 3.453 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C1=CCCCCC1 ZINC001570465942 961976989 /nfs/dbraw/zinc/97/69/89/961976989.db2.gz WJJBMWOHAQCSTJ-UHFFFAOYSA-N -1 1 267.275 3.499 20 0 CGADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCCCCC1 ZINC001580442060 962728357 /nfs/dbraw/zinc/72/83/57/962728357.db2.gz YWLVABBDVGKJND-NSHDSACASA-N -1 1 286.383 3.033 20 0 CGADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCCCCC1 ZINC001580442060 962728369 /nfs/dbraw/zinc/72/83/69/962728369.db2.gz YWLVABBDVGKJND-NSHDSACASA-N -1 1 286.383 3.033 20 0 CGADMM O=C([N-]c1c(F)ccnc1F)c1nsc2ccccc21 ZINC001584047013 962889074 /nfs/dbraw/zinc/88/90/74/962889074.db2.gz OQXUUJVRBZLKRS-UHFFFAOYSA-N -1 1 291.282 3.222 20 0 CGADMM O=C(NCCc1ccc(Cl)cc1)c1ccc(F)c([O-])c1 ZINC001586809330 963139262 /nfs/dbraw/zinc/13/92/62/963139262.db2.gz BGYGLQFBDROAKF-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM CC(C)(C)c1coc(CN2CCCC[C@H]2CCC(=O)[O-])n1 ZINC001588746664 963312256 /nfs/dbraw/zinc/31/22/56/963312256.db2.gz JOPOCZLYDKPGBP-LBPRGKRZSA-N -1 1 294.395 3.191 20 0 CGADMM C/C(=C/CN[C@H](c1ccc(C)cc1)c1ccccn1)C(=O)[O-] ZINC001588982048 963337370 /nfs/dbraw/zinc/33/73/70/963337370.db2.gz MHNHSWJZUWWRTC-OOXMNIKJSA-N -1 1 296.370 3.100 20 0 CGADMM CCC1(C)CN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001595370215 980840235 /nfs/dbraw/zinc/84/02/35/980840235.db2.gz GEJDEXZPWJDVTA-UHFFFAOYSA-N -1 1 267.756 3.270 20 0 CGADMM CC[C@@H]1CCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC001595468239 981160545 /nfs/dbraw/zinc/16/05/45/981160545.db2.gz QKEKKEUIPVVDSY-LLVKDONJSA-N -1 1 253.729 3.023 20 0 CGADMM CCN(Cc1ccc(C(=O)[O-])[nH]1)[C@@H](C)c1cccc(O)c1 ZINC001596357410 983827931 /nfs/dbraw/zinc/82/79/31/983827931.db2.gz FDTCBWRSWJQRFJ-NSHDSACASA-N -1 1 288.347 3.002 20 0 CGADMM C[C@H](NCc1ccc(C(=O)[O-])n1C)c1ccccc1Cl ZINC001599901244 984831428 /nfs/dbraw/zinc/83/14/28/984831428.db2.gz CMXIZCDCKUNSOU-JTQLQIEISA-N -1 1 292.766 3.228 20 0 CGADMM Cc1[nH]c(CN2C[C@H](C)[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001599961850 985796921 /nfs/dbraw/zinc/79/69/21/985796921.db2.gz JSPXIYSFYJKPEP-MEDUHNTESA-N -1 1 284.359 3.214 20 0 CGADMM Cc1[nH]nc(CN2CCCCc3cc(C(=O)[O-])ccc32)c1C ZINC001599968704 985964858 /nfs/dbraw/zinc/96/48/58/985964858.db2.gz MCYMDWNAXMPCCV-UHFFFAOYSA-N -1 1 299.374 3.068 20 0 CGADMM C[C@H]1Oc2ccccc2[C@H]1NCc1csc(C(=O)[O-])c1 ZINC001594655989 986900886 /nfs/dbraw/zinc/90/08/86/986900886.db2.gz ZTGCQGATFFDHIL-OTYXRUKQSA-N -1 1 289.356 3.058 20 0 CGADMM CCc1[nH]c(CN2CCc3ccccc3[C@H]2C)cc1C(=O)[O-] ZINC001597386888 987609165 /nfs/dbraw/zinc/60/91/65/987609165.db2.gz QBJQJZLDOBLMEN-GFCCVEGCSA-N -1 1 298.386 3.395 20 0 CGADMM CC(C)C[C@H]1CCN([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591211061 992050458 /nfs/dbraw/zinc/05/04/58/992050458.db2.gz ONALDXSKRMUKFP-GHMZBOCLSA-N -1 1 282.409 3.270 20 0 CGADMM C[C@@H](N[C@@H]1CCCc2occc21)c1cncc(C(=O)[O-])c1 ZINC001593219402 994299317 /nfs/dbraw/zinc/29/93/17/994299317.db2.gz NYMILYLQBDUOJM-QMTHXVAHSA-N -1 1 286.331 3.101 20 0 CGADMM C[C@@H](NCc1ccc(Cl)cn1)c1cc(C(=O)[O-])cs1 ZINC001593298598 994717297 /nfs/dbraw/zinc/71/72/97/994717297.db2.gz MEADZPAAILCCLJ-MRVPVSSYSA-N -1 1 296.779 3.346 20 0 CGADMM C[C@H](NCc1cccc(Cl)c1)c1cncc(C(=O)[O-])c1 ZINC001593305457 994764258 /nfs/dbraw/zinc/76/42/58/994764258.db2.gz ZZGHSHLFGPLKJR-JTQLQIEISA-N -1 1 290.750 3.284 20 0 CGADMM C[C@H](c1cccnc1)N(C)Cc1csc(C(=O)[O-])c1 ZINC001593719822 996245997 /nfs/dbraw/zinc/24/59/97/996245997.db2.gz RLMUHCNLHLOFOF-SNVBAGLBSA-N -1 1 276.361 3.034 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N(C)CCC(C)(C)C ZINC001593732521 996313872 /nfs/dbraw/zinc/31/38/72/996313872.db2.gz WBGACIJCJWYLLO-SECBINFHSA-N -1 1 270.398 3.270 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC(C)(C)C[C@H]1C ZINC001594217297 998837472 /nfs/dbraw/zinc/83/74/72/998837472.db2.gz QSQTZQGCQFAQGT-BDAKNGLRSA-N -1 1 268.382 3.023 20 0 CGADMM C[C@@H]1C[C@@H](C)N1Cc1cc(Br)ccc1C(=O)[O-] ZINC001594232259 998883985 /nfs/dbraw/zinc/88/39/85/998883985.db2.gz HAWQBRLDGSIMST-RKDXNWHRSA-N -1 1 298.180 3.130 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])[nH]2)[C@H]2CCCC[C@H]12 ZINC001594423945 999585147 /nfs/dbraw/zinc/58/51/47/999585147.db2.gz MEXOLDXVCMTJSE-KYOSRNDESA-N -1 1 276.380 3.114 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC[C@@H]1C1CC1 ZINC000651111804 398202860 /nfs/dbraw/zinc/20/28/60/398202860.db2.gz VDLSSEUOGXLULN-LLVKDONJSA-N -1 1 285.265 3.036 20 0 CGADMM CSc1ccccc1[C@H](C)NC(=O)c1cncc([O-])c1 ZINC000337688014 214218269 /nfs/dbraw/zinc/21/82/69/214218269.db2.gz MBNUQWYXCAIPPC-JTQLQIEISA-N -1 1 288.372 3.000 20 0 CGADMM CC[C@@H](C)[C@H](OC)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436881595 529425507 /nfs/dbraw/zinc/42/55/07/529425507.db2.gz XMHXLMWSXYUOHK-PELKAZGASA-N -1 1 280.299 3.315 20 0 CGADMM CCc1cc([N-]S(=O)(=O)c2ccc(C)nc2)ccc1C ZINC000350799349 219062552 /nfs/dbraw/zinc/06/25/52/219062552.db2.gz AVRZOPKKHNVQRW-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])C1CCC(F)CC1 ZINC000622753030 349700164 /nfs/dbraw/zinc/70/01/64/349700164.db2.gz PRLZUONPVWCFJH-WHXUTIOJSA-N -1 1 283.318 3.178 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc(C)nc2C)n1 ZINC000436181655 529566927 /nfs/dbraw/zinc/56/69/27/529566927.db2.gz FFOIYVPBBRBMHS-UHFFFAOYSA-N -1 1 275.377 3.049 20 0 CGADMM CCc1cc(=O)[n-]c(SCCO[C@H]2CCCC[C@H]2C)n1 ZINC000436201030 529567434 /nfs/dbraw/zinc/56/74/34/529567434.db2.gz ZXYJIPMCZZRCPK-YPMHNXCESA-N -1 1 296.436 3.432 20 0 CGADMM CCc1ccc(CN[C@@H](C(=O)[O-])C2(C)CCCCC2)o1 ZINC000426747620 529654233 /nfs/dbraw/zinc/65/42/33/529654233.db2.gz QNQNSJWSKCXLIZ-AWEZNQCLSA-N -1 1 279.380 3.355 20 0 CGADMM CCC[C@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000021013665 344892429 /nfs/dbraw/zinc/89/24/29/344892429.db2.gz JFCUGWUAWLTXQG-NSHDSACASA-N -1 1 257.333 3.464 20 0 CGADMM CC(C)C(=O)Nc1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000029800754 344919293 /nfs/dbraw/zinc/91/92/93/344919293.db2.gz XIGDMXYKWVRSLZ-UHFFFAOYSA-N -1 1 298.342 3.239 20 0 CGADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCCC1 ZINC000037425153 344950639 /nfs/dbraw/zinc/95/06/39/344950639.db2.gz LCVHOCPFRZAVAM-NSHDSACASA-N -1 1 274.147 3.215 20 0 CGADMM Cc1noc([N-]C(=O)c2cc3cc(Cl)ccc3o2)n1 ZINC000042762361 344987469 /nfs/dbraw/zinc/98/74/69/344987469.db2.gz LACDUJRSOLSEGH-UHFFFAOYSA-N -1 1 277.667 3.030 20 0 CGADMM O=C(NCCCOC1CCCC1)c1cc(Cl)ccc1[O-] ZINC000061260487 345228111 /nfs/dbraw/zinc/22/81/11/345228111.db2.gz BBTONCQYYRQRFR-UHFFFAOYSA-N -1 1 297.782 3.125 20 0 CGADMM CCOc1cc([N-]S(=O)(=O)c2ccccc2)ccc1C ZINC000066588173 345301033 /nfs/dbraw/zinc/30/10/33/345301033.db2.gz ZYIDPXYMNVXDBN-UHFFFAOYSA-N -1 1 291.372 3.195 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000074934514 345488373 /nfs/dbraw/zinc/48/83/73/345488373.db2.gz QDJRVUVTJBRLDL-UHFFFAOYSA-N -1 1 291.372 3.058 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c1 ZINC000080940542 345689924 /nfs/dbraw/zinc/68/99/24/345689924.db2.gz OAZJTMLQRFVYMO-UHFFFAOYSA-N -1 1 291.372 3.064 20 0 CGADMM CC(C)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000149539346 346130826 /nfs/dbraw/zinc/13/08/26/346130826.db2.gz MZEDHOJVZMWBSB-UHFFFAOYSA-N -1 1 289.809 3.241 20 0 CGADMM CC1CCC(CNC(=O)c2c([O-])cccc2F)CC1 ZINC000232806509 346327656 /nfs/dbraw/zinc/32/76/56/346327656.db2.gz FINUNRCBJNNJQL-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc([O-])cc2F)[C@@H](C)C1 ZINC000229787678 346318340 /nfs/dbraw/zinc/31/83/40/346318340.db2.gz DSKKRSNKOQJEBR-BFVZDQMLSA-N -1 1 265.328 3.086 20 0 CGADMM CCc1nc(S[C@H]2C=CCCC2)[n-]c(=O)c1C ZINC000584792184 346714859 /nfs/dbraw/zinc/71/48/59/346714859.db2.gz LVLRYNNXTRUROJ-JTQLQIEISA-N -1 1 250.367 3.254 20 0 CGADMM O=C(CSc1ccc(F)cc1)Nc1c([O-])cccc1F ZINC000605439155 348155797 /nfs/dbraw/zinc/15/57/97/348155797.db2.gz FJFCHAPIEMBXNJ-UHFFFAOYSA-N -1 1 295.310 3.401 20 0 CGADMM Cn1cc(CC(=O)Nc2c([O-])cccc2F)c2ccccc21 ZINC000605440173 348156072 /nfs/dbraw/zinc/15/60/72/348156072.db2.gz MCPFFTMFBBWIPA-UHFFFAOYSA-N -1 1 298.317 3.204 20 0 CGADMM [O-]c1cccc(CNCc2nccc(C(F)F)n2)c1Cl ZINC000339405716 215151121 /nfs/dbraw/zinc/15/11/21/215151121.db2.gz YWPWHMAFIVJAKV-UHFFFAOYSA-N -1 1 299.708 3.063 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1c[nH]c(-c2ccccc2)n1 ZINC000608365540 348301533 /nfs/dbraw/zinc/30/15/33/348301533.db2.gz GPYWEGQECQDTPZ-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1c([O-])cccc1F ZINC000608367447 348302273 /nfs/dbraw/zinc/30/22/73/348302273.db2.gz ZJJQBIAXHIJYRY-SECBINFHSA-N -1 1 293.269 3.076 20 0 CGADMM C[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCO1 ZINC000612758669 348544287 /nfs/dbraw/zinc/54/42/87/348544287.db2.gz BLENRWXPVRLOKO-RNCFNFMXSA-N -1 1 283.755 3.189 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000616101061 348786341 /nfs/dbraw/zinc/78/63/41/348786341.db2.gz MBARJIBCNLIWCF-DJLDLDEBSA-N -1 1 267.275 3.045 20 0 CGADMM O=C(N[C@@]12C[C@@H]1CCC2)c1ccc(C(F)(F)F)cc1[O-] ZINC000617212355 348935090 /nfs/dbraw/zinc/93/50/90/348935090.db2.gz XDXYXQALXOZLED-ZANVPECISA-N -1 1 285.265 3.083 20 0 CGADMM C[C@]1(CNC(=O)c2cc3ccccc3cc2[O-])CC1(F)F ZINC000618604978 349120302 /nfs/dbraw/zinc/12/03/02/349120302.db2.gz UDTUSZYQFUGBNH-OAHLLOKOSA-N -1 1 291.297 3.321 20 0 CGADMM Cc1ccc(CC2CN(C(=O)c3ccc([O-])c(F)c3)C2)cc1 ZINC000618889818 349176743 /nfs/dbraw/zinc/17/67/43/349176743.db2.gz SACGJASURGKPQA-UHFFFAOYSA-N -1 1 299.345 3.154 20 0 CGADMM CCc1c(C)[n-]n(-c2ccccc2C(F)(F)F)c1=O ZINC000620796624 349424049 /nfs/dbraw/zinc/42/40/49/349424049.db2.gz SXUPEQMGVJISNM-VIFPVBQESA-N -1 1 270.254 3.454 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000104425909 185997939 /nfs/dbraw/zinc/99/79/39/185997939.db2.gz XTGJXSDIXGPVKF-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000628960120 350625484 /nfs/dbraw/zinc/62/54/84/350625484.db2.gz VXQRWRGDCGMSHU-SFYZADRCSA-N -1 1 291.244 3.448 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H]2CCCC[C@H]2C)n1 ZINC000629175919 350663265 /nfs/dbraw/zinc/66/32/65/350663265.db2.gz SIDXCVUINCRRAS-KOLCDFICSA-N -1 1 252.383 3.415 20 0 CGADMM C[C@H]1CCC[C@H](C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000629378880 350685040 /nfs/dbraw/zinc/68/50/40/350685040.db2.gz XQDYVYNNWWNNGN-STQMWFEESA-N -1 1 299.374 3.343 20 0 CGADMM Cc1csc2[n-]c(-c3coc(C4CC4)n3)nc(=O)c12 ZINC000630385121 350830307 /nfs/dbraw/zinc/83/03/07/350830307.db2.gz MCCYFCSFQDDHTA-UHFFFAOYSA-N -1 1 273.317 3.238 20 0 CGADMM Cc1csc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)n1 ZINC000631022859 350926653 /nfs/dbraw/zinc/92/66/53/350926653.db2.gz BIVYLKVDGLHCGU-UHFFFAOYSA-N -1 1 293.417 3.425 20 0 CGADMM Cc1cncc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)c1 ZINC000631024055 350927821 /nfs/dbraw/zinc/92/78/21/350927821.db2.gz KEVLAPVQBMLXFV-UHFFFAOYSA-N -1 1 287.388 3.364 20 0 CGADMM Cc1nc(SC[C@@H]2CCC(C)(C)O2)[n-]c(=O)c1C1CC1 ZINC000631024602 350928051 /nfs/dbraw/zinc/92/80/51/350928051.db2.gz WQCJDAWVRJXTDP-NSHDSACASA-N -1 1 294.420 3.418 20 0 CGADMM C[C@@H](C1CC1)N(C(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000630722997 350878593 /nfs/dbraw/zinc/87/85/93/350878593.db2.gz MRHXDCIOSZUXMD-JTQLQIEISA-N -1 1 293.794 3.378 20 0 CGADMM CCC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCC1 ZINC000631610874 351089859 /nfs/dbraw/zinc/08/98/59/351089859.db2.gz LPPYASDXTWBJHG-UHFFFAOYSA-N -1 1 267.756 3.037 20 0 CGADMM CC1(C)CC[C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000632255955 351188385 /nfs/dbraw/zinc/18/83/85/351188385.db2.gz CDLMTTSGTZTNRA-NSHDSACASA-N -1 1 281.783 3.283 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000633667324 351342740 /nfs/dbraw/zinc/34/27/40/351342740.db2.gz GUPZHWTYRGXOKO-UPJWGTAASA-N -1 1 293.794 3.141 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)C(C)(C)C(F)F)[nH][n-]2)s1 ZINC000352239013 219379965 /nfs/dbraw/zinc/37/99/65/219379965.db2.gz YVUIFYRBHLMXDJ-UHFFFAOYSA-N -1 1 299.346 3.098 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ncc(Cl)cc3Cl)c(=O)c21 ZINC000634583940 351524177 /nfs/dbraw/zinc/52/41/77/351524177.db2.gz MQKZGWVOFRXWLS-LDWIPMOCSA-N -1 1 284.146 3.137 20 0 CGADMM O=c1c2c([n-]n1Cc1cccc(C(F)(F)F)c1)CCC2 ZINC000634590572 351527897 /nfs/dbraw/zinc/52/78/97/351527897.db2.gz DADXUNOEJTXVII-NSHDSACASA-N -1 1 282.265 3.204 20 0 CGADMM CCCc1[n-]n(CC(F)(F)C(F)(F)F)c(=O)c1CC ZINC000634604475 351538633 /nfs/dbraw/zinc/53/86/33/351538633.db2.gz HQCSUJCEXUDPFS-SSDOTTSWSA-N -1 1 286.244 3.209 20 0 CGADMM CCc1c(C)[n-]n(-c2cc(F)cc(Cl)c2)c1=O ZINC000634607410 351539911 /nfs/dbraw/zinc/53/99/11/351539911.db2.gz WSAKJDNZIRQFEH-LLVKDONJSA-N -1 1 254.692 3.228 20 0 CGADMM CCc1c(=O)n(-c2cccc(C)n2)[n-]c1-c1cccc(C)c1 ZINC000634612839 351542148 /nfs/dbraw/zinc/54/21/48/351542148.db2.gz JGOAIGHOUHNQHL-HNNXBMFYSA-N -1 1 293.370 3.476 20 0 CGADMM O=c1c2c([n-]n1CCc1ccccc1F)CCCCC2 ZINC000634611857 351542314 /nfs/dbraw/zinc/54/23/14/351542314.db2.gz GXDFGNRMUFPWOW-ZDUSSCGKSA-N -1 1 274.339 3.147 20 0 CGADMM CCc1c(=O)n(-c2cc(F)cc(OC)c2)[n-]c1C(C)C ZINC000634618636 351547196 /nfs/dbraw/zinc/54/71/96/351547196.db2.gz YTVVMZJMAZHQGR-ZDUSSCGKSA-N -1 1 278.327 3.219 20 0 CGADMM CC(C)[C@@H](Cc1ccccc1)n1[n-]c2c(c1=O)CCC2 ZINC000634621964 351547896 /nfs/dbraw/zinc/54/78/96/351547896.db2.gz ULPUHWAYQAFSPY-GOEBONIOSA-N -1 1 270.376 3.252 20 0 CGADMM O=C([O-])c1csc(CN2CCC[C@@H](C3CCC3)CC2)n1 ZINC000634697593 351575951 /nfs/dbraw/zinc/57/59/51/351575951.db2.gz MTYSRCDVDHJKQX-GFCCVEGCSA-N -1 1 294.420 3.244 20 0 CGADMM CCc1c(-c2ccccc2)[n-]n([C@H](C)C(F)(F)F)c1=O ZINC000634630650 351553325 /nfs/dbraw/zinc/55/33/25/351553325.db2.gz BHAXLUKKPICEPH-KOLCDFICSA-N -1 1 284.281 3.210 20 0 CGADMM C[C@H](C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)C1CC1 ZINC000339844444 215360459 /nfs/dbraw/zinc/36/04/59/215360459.db2.gz ZVARJCWPPRWFAM-ZETCQYMHSA-N -1 1 295.795 3.198 20 0 CGADMM C[C@@H](C1CC1)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000121569937 186981745 /nfs/dbraw/zinc/98/17/45/186981745.db2.gz SVICKMNNDYFYPX-QMMMGPOBSA-N -1 1 298.180 3.025 20 0 CGADMM Cc1ccc([C@H]2CCCN2C(=O)c2ncccc2[O-])cc1C ZINC000123529246 187096432 /nfs/dbraw/zinc/09/64/32/187096432.db2.gz DNBQYPHVIFYWBN-OAHLLOKOSA-N -1 1 296.370 3.381 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1C(F)F ZINC000336480102 213351781 /nfs/dbraw/zinc/35/17/81/213351781.db2.gz FAPWGDPMLAFRIS-CYBMUJFWSA-N -1 1 291.297 3.415 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC000132931793 187655917 /nfs/dbraw/zinc/65/59/17/187655917.db2.gz QOXKGPIFIPTAOU-UHFFFAOYSA-N -1 1 277.324 3.083 20 0 CGADMM Cc1ccc(CN(C(=O)c2ncccc2[O-])C(C)C)s1 ZINC000153662317 188095987 /nfs/dbraw/zinc/09/59/87/188095987.db2.gz GXENYIFCCZGFFK-UHFFFAOYSA-N -1 1 290.388 3.208 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC2(CCCC2)CC1 ZINC000154914390 188170465 /nfs/dbraw/zinc/17/04/65/188170465.db2.gz FQYNWOPUXDVGBQ-UHFFFAOYSA-N -1 1 277.339 3.328 20 0 CGADMM Cc1nn(C)c(C)c1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000336421152 213281215 /nfs/dbraw/zinc/28/12/15/213281215.db2.gz MKKIMMZBYAXBDJ-UHFFFAOYSA-N -1 1 294.742 3.040 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCSC1 ZINC000336346294 213195423 /nfs/dbraw/zinc/19/54/23/213195423.db2.gz IFIQDRAAJVWGSE-MRVPVSSYSA-N -1 1 271.769 3.127 20 0 CGADMM O=C([O-])c1ccc(CNCc2cccc(Cl)c2F)cc1 ZINC000426697960 236307190 /nfs/dbraw/zinc/30/71/90/236307190.db2.gz YKIZOKYTKYOQAA-UHFFFAOYSA-N -1 1 293.725 3.467 20 0 CGADMM O=C(Nc1cc(C(F)(F)F)ccc1O)c1ccccc1[O-] ZINC000436600785 237141418 /nfs/dbraw/zinc/14/14/18/237141418.db2.gz IJTSZFYVDQNRBC-UHFFFAOYSA-N -1 1 297.232 3.369 20 0 CGADMM C[C@H]1c2ccccc2CN1C(=O)c1ccc([O-])cc1F ZINC000436805762 237181020 /nfs/dbraw/zinc/18/10/20/237181020.db2.gz SMIFLHWCFJJSST-JTQLQIEISA-N -1 1 271.291 3.248 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C(F)F)c1cc(F)ccc1[O-] ZINC000436886019 237204382 /nfs/dbraw/zinc/20/43/82/237204382.db2.gz JGAYPUYCCGLBMU-ZDUSSCGKSA-N -1 1 295.260 3.268 20 0 CGADMM Cc1nc(-c2ccc(NCC3(C)CCC3)nc2)[n-]c(=O)c1C ZINC000301521406 201044030 /nfs/dbraw/zinc/04/40/30/201044030.db2.gz DKAVYJDDLWHKGQ-UHFFFAOYSA-N -1 1 298.390 3.463 20 0 CGADMM Cc1nc(SC2CC(OC(C)(C)C)C2)[n-]c(=O)c1C ZINC000450901371 240145695 /nfs/dbraw/zinc/14/56/95/240145695.db2.gz HQTCDYOWDHYMRM-UHFFFAOYSA-N -1 1 282.409 3.237 20 0 CGADMM Oc1cccc(C[N@H+]2CC[C@H]2C2CC2)c1Br ZINC000459568200 242133357 /nfs/dbraw/zinc/13/33/57/242133357.db2.gz BDFATJFHLCAEDX-NSHDSACASA-N -1 1 282.181 3.139 20 0 CGADMM Oc1cccc(C[N@H+]2CC[C@@H]2C2CC2)c1Br ZINC000459568198 242134508 /nfs/dbraw/zinc/13/45/08/242134508.db2.gz BDFATJFHLCAEDX-LLVKDONJSA-N -1 1 282.181 3.139 20 0 CGADMM CCn1c(CCCc2ccccc2)n[n-]c1=NC(C)(C)C ZINC000463107368 242387123 /nfs/dbraw/zinc/38/71/23/242387123.db2.gz LZUQUJMSJJHWET-UHFFFAOYSA-N -1 1 286.423 3.106 20 0 CGADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)cc2C)c1 ZINC000121640295 370882406 /nfs/dbraw/zinc/88/24/06/370882406.db2.gz ANIZNQHGOYEXCQ-UHFFFAOYSA-N -1 1 298.342 3.220 20 0 CGADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000479141457 243094606 /nfs/dbraw/zinc/09/46/06/243094606.db2.gz OFVCYEMDXKWGAM-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=C(NCCc1cccs1)c1ccc(Cl)cc1[O-] ZINC000019839745 368771996 /nfs/dbraw/zinc/77/19/96/368771996.db2.gz FVJDGOPHEROWKH-UHFFFAOYSA-N -1 1 281.764 3.080 20 0 CGADMM O=C(NCCCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000028645036 368887868 /nfs/dbraw/zinc/88/78/68/368887868.db2.gz JOYSMALNXCHLQY-UHFFFAOYSA-N -1 1 289.762 3.408 20 0 CGADMM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(-c2ccccc2)no1 ZINC000037599204 369091407 /nfs/dbraw/zinc/09/14/07/369091407.db2.gz GDQCAIMNJNAZIC-GFCCVEGCSA-N -1 1 288.347 3.027 20 0 CGADMM O=C(/C=C/c1cncs1)Nc1ccc([O-])c(Cl)c1 ZINC000493351284 244146875 /nfs/dbraw/zinc/14/68/75/244146875.db2.gz KBWQYSCWODYSTQ-DUXPYHPUSA-N -1 1 280.736 3.154 20 0 CGADMM CCCCN(CCCC)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000495191786 244366273 /nfs/dbraw/zinc/36/62/73/244366273.db2.gz KCTMADGRVJSBPL-UHFFFAOYSA-N -1 1 295.452 3.182 20 0 CGADMM O=C([O-])[C@@H](NCc1ccc(F)cc1Cl)c1ccccc1 ZINC000050510831 369439909 /nfs/dbraw/zinc/43/99/09/369439909.db2.gz ZOTVKNKHKJNBGW-AWEZNQCLSA-N -1 1 293.725 3.395 20 0 CGADMM O=C(Nc1cnc(-c2ccccc2)nc1)c1ccccc1[O-] ZINC000097042755 370216866 /nfs/dbraw/zinc/21/68/66/370216866.db2.gz VUWHPKGADIRVTE-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM CN(Cc1cccs1)Cc1ccc(C(=O)[O-])s1 ZINC000103921637 370334526 /nfs/dbraw/zinc/33/45/26/370334526.db2.gz MIWDMCMHSIKVMJ-UHFFFAOYSA-N -1 1 267.375 3.140 20 0 CGADMM Cc1noc(C)c1CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668493 370404272 /nfs/dbraw/zinc/40/42/72/370404272.db2.gz HCPIHEZFBMGUCB-UHFFFAOYSA-N -1 1 294.738 3.222 20 0 CGADMM CC(C)Cc1nnc([N-]C(=O)c2cc(C(C)C)on2)s1 ZINC000134006416 371295445 /nfs/dbraw/zinc/29/54/45/371295445.db2.gz KVDLZHCSJWJOLL-UHFFFAOYSA-N -1 1 294.380 3.100 20 0 CGADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000135388909 371422258 /nfs/dbraw/zinc/42/22/58/371422258.db2.gz UKDOPVAZOQPARZ-UHFFFAOYSA-N -1 1 289.356 3.080 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCCc2ccccc21 ZINC000154750007 371875336 /nfs/dbraw/zinc/87/53/36/371875336.db2.gz XBRWGRFFXUTRLI-UHFFFAOYSA-N -1 1 271.291 3.124 20 0 CGADMM [O-]c1cccc(CN2C[C@H](CO)c3ccccc32)c1Cl ZINC000293980189 372544516 /nfs/dbraw/zinc/54/45/16/372544516.db2.gz RFVTXAIDABDUCL-GFCCVEGCSA-N -1 1 289.762 3.142 20 0 CGADMM CC(C)C[C@]1(C)CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000295674152 372871606 /nfs/dbraw/zinc/87/16/06/372871606.db2.gz HMXSEKRGTUCXRF-KRWDZBQOSA-N -1 1 289.375 3.002 20 0 CGADMM C[C@H]1CC[C@H](CCC(=O)Nc2ccc([O-])c(Cl)c2)O1 ZINC000173379584 373132828 /nfs/dbraw/zinc/13/28/28/373132828.db2.gz FBQLWVRRMPVWFL-GXSJLCMTSA-N -1 1 283.755 3.332 20 0 CGADMM CC[C@H](C)[C@H](NC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000444562306 373200249 /nfs/dbraw/zinc/20/02/49/373200249.db2.gz UBXRSXNTYCNOHF-CPCISQLKSA-N -1 1 293.260 3.238 20 0 CGADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000447263354 373414595 /nfs/dbraw/zinc/41/45/95/373414595.db2.gz IJDCLESWUDZQQK-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM CC(C)(CNC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000181118993 374082628 /nfs/dbraw/zinc/08/26/28/374082628.db2.gz KGLJGQZNHZVVQO-UHFFFAOYSA-N -1 1 287.334 3.239 20 0 CGADMM COC[C@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000307778872 374152695 /nfs/dbraw/zinc/15/26/95/374152695.db2.gz OOGYYCPGWHZHMF-CQSZACIVSA-N -1 1 299.370 3.187 20 0 CGADMM Cc1nscc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182284314 374253185 /nfs/dbraw/zinc/25/31/85/374253185.db2.gz JECCIYPJDRKANL-UHFFFAOYSA-N -1 1 268.725 3.063 20 0 CGADMM O=C(c1ccccc1[O-])N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000183837990 374463387 /nfs/dbraw/zinc/46/33/87/374463387.db2.gz QVMYZDJWEQKENR-LLVKDONJSA-N -1 1 293.322 3.113 20 0 CGADMM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000331183264 374512437 /nfs/dbraw/zinc/51/24/37/374512437.db2.gz IHURGTJYAAPRQE-STQMWFEESA-N -1 1 276.380 3.136 20 0 CGADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCCOC1 ZINC000332499519 374579436 /nfs/dbraw/zinc/57/94/36/374579436.db2.gz QUHMBVSYFBQBNH-GXTWGEPZSA-N -1 1 299.370 3.090 20 0 CGADMM CC(=O)[C@H](C)CCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456782808 374622096 /nfs/dbraw/zinc/62/20/96/374622096.db2.gz KOSXBPOTZQDCQL-SECBINFHSA-N -1 1 299.317 3.394 20 0 CGADMM CCCC[C@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456792076 374625588 /nfs/dbraw/zinc/62/55/88/374625588.db2.gz ZVDSCWSLMSPBQK-QMMMGPOBSA-N -1 1 257.280 3.435 20 0 CGADMM CCC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C1CCCC1 ZINC000458342237 374773169 /nfs/dbraw/zinc/77/31/69/374773169.db2.gz OMNDABZKRMRTCC-HNNXBMFYSA-N -1 1 289.375 3.050 20 0 CGADMM CCn1c(C)cc(C(=O)Nc2ccc([O-])c(F)c2F)c1C ZINC000335022397 375077448 /nfs/dbraw/zinc/07/74/48/375077448.db2.gz WOGMZPODZIXEDS-UHFFFAOYSA-N -1 1 294.301 3.361 20 0 CGADMM O=C(c1cccc2nn[nH]c21)N1CCCC2(CCCCC2)C1 ZINC000187882097 375110629 /nfs/dbraw/zinc/11/06/29/375110629.db2.gz DTTIEFVSVQYZHD-UHFFFAOYSA-N -1 1 298.390 3.144 20 0 CGADMM CO[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CC[C@@H]1C ZINC000187832278 375103692 /nfs/dbraw/zinc/10/36/92/375103692.db2.gz DGOWAQSMKBWLQO-SJCJKPOMSA-N -1 1 299.370 3.042 20 0 CGADMM [O-]c1cccc(C[NH2+][C@@H]2CC[C@@H](F)C2)c1Br ZINC000335168187 375194533 /nfs/dbraw/zinc/19/45/33/375194533.db2.gz HJBIJCNFJQEKPV-NXEZZACHSA-N -1 1 288.160 3.135 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cn2ccnc2s1 ZINC000188813808 375273645 /nfs/dbraw/zinc/27/36/45/375273645.db2.gz RNCPETRGAMSJMG-UHFFFAOYSA-N -1 1 293.735 3.007 20 0 CGADMM COc1ccc2c(c1NC(=O)c1ccccc1[O-])CCC2 ZINC000190844556 375543926 /nfs/dbraw/zinc/54/39/26/375543926.db2.gz WWPMCCGJBXXLLO-UHFFFAOYSA-N -1 1 283.327 3.142 20 0 CGADMM Cc1ccc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000335998594 375605091 /nfs/dbraw/zinc/60/50/91/375605091.db2.gz KBMGQNPNFOARTN-SNVBAGLBSA-N -1 1 291.297 3.470 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2cccnc2)n1 ZINC000497664306 375607698 /nfs/dbraw/zinc/60/76/98/375607698.db2.gz WZAHPZLAFGJMJP-SNVBAGLBSA-N -1 1 275.377 3.383 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])s1 ZINC000336040214 375638640 /nfs/dbraw/zinc/63/86/40/375638640.db2.gz VSPUORUMHWBMJC-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM C[C@H]1C[C@H](C)N1C(=O)c1ccc2ccccc2c1[O-] ZINC000336157883 375735879 /nfs/dbraw/zinc/73/58/79/375735879.db2.gz GFMHXBSZLCIGEQ-QWRGUYRKSA-N -1 1 255.317 3.168 20 0 CGADMM CN(C(=O)c1cncc([O-])c1)C1CCC(C(C)(C)C)CC1 ZINC000339814296 376857437 /nfs/dbraw/zinc/85/74/37/376857437.db2.gz MIWFZDYFQZMCNC-UHFFFAOYSA-N -1 1 290.407 3.464 20 0 CGADMM O=C([N-][C@@H]1CCC[C@H]1c1ccccc1)C(F)(F)F ZINC000264692441 190129258 /nfs/dbraw/zinc/12/92/58/190129258.db2.gz HPFLEKALSNXXGR-WDEREUQCSA-N -1 1 257.255 3.001 20 0 CGADMM O=C(CSc1ccccc1)Nc1ccc(F)cc1[O-] ZINC000340328302 377005749 /nfs/dbraw/zinc/00/57/49/377005749.db2.gz RIGQSDPDZPPKEZ-UHFFFAOYSA-N -1 1 277.320 3.262 20 0 CGADMM CCCCSCCC(=O)Nc1ccc(F)cc1[O-] ZINC000340333215 377009151 /nfs/dbraw/zinc/00/91/51/377009151.db2.gz VTTCOBNHSSLVRE-UHFFFAOYSA-N -1 1 271.357 3.393 20 0 CGADMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340332665 377011153 /nfs/dbraw/zinc/01/11/53/377011153.db2.gz XXMYXWVDOKSAQA-NSHDSACASA-N -1 1 289.306 3.246 20 0 CGADMM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc(F)ccc1[O-] ZINC000091669698 249031542 /nfs/dbraw/zinc/03/15/42/249031542.db2.gz VIZRVBIFOBVECN-WDEREUQCSA-N -1 1 265.328 3.182 20 0 CGADMM CN(Cc1ccc(F)cc1Cl)Cc1ncccc1[O-] ZINC000575095151 377746052 /nfs/dbraw/zinc/74/60/52/377746052.db2.gz ZZUIKPVGMKQCQW-UHFFFAOYSA-N -1 1 280.730 3.212 20 0 CGADMM O=C([O-])C1CCC(Nc2cc3c(cn2)CCCC3)CC1 ZINC000263435705 377936694 /nfs/dbraw/zinc/93/66/94/377936694.db2.gz UMRXGODRGRPACD-UHFFFAOYSA-N -1 1 274.364 3.016 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(C(C)(C)C)n1 ZINC000263515936 377944195 /nfs/dbraw/zinc/94/41/95/377944195.db2.gz OPVJXNORXYWBII-WDEREUQCSA-N -1 1 296.436 3.126 20 0 CGADMM C[C@H](Cc1ccsc1)NC(=O)c1c(F)ccc([O-])c1F ZINC000575786641 377990674 /nfs/dbraw/zinc/99/06/74/377990674.db2.gz OIBINTOESCSICY-MRVPVSSYSA-N -1 1 297.326 3.093 20 0 CGADMM Cc1oc(CN2CCC[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC000575874953 377997398 /nfs/dbraw/zinc/99/73/98/377997398.db2.gz NKXVPNBOONIKKC-CYBMUJFWSA-N -1 1 275.304 3.216 20 0 CGADMM Cc1ccccc1OCCN(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000579961917 378211267 /nfs/dbraw/zinc/21/12/67/378211267.db2.gz RDVGNGJNPHEHFF-QGZVFWFLSA-N -1 1 299.370 3.132 20 0 CGADMM CCN(CCc1cccs1)C(=O)c1cc(F)ccc1[O-] ZINC000270970920 378420405 /nfs/dbraw/zinc/42/04/05/378420405.db2.gz HGWUIGVMXQCFDJ-UHFFFAOYSA-N -1 1 293.363 3.298 20 0 CGADMM O=S(=O)(CCC1CC1)[N-]c1ccccc1C(F)(F)F ZINC000272412958 378631022 /nfs/dbraw/zinc/63/10/22/378631022.db2.gz LAYZFSXZFJXEFM-UHFFFAOYSA-N -1 1 293.310 3.247 20 0 CGADMM C[C@@H](C(=O)[N-]OCCC(F)(F)F)c1cccc(Cl)c1 ZINC000275076118 378935224 /nfs/dbraw/zinc/93/52/24/378935224.db2.gz MBTVIADMWLLVRT-MRVPVSSYSA-N -1 1 295.688 3.444 20 0 CGADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000276990139 379039521 /nfs/dbraw/zinc/03/95/21/379039521.db2.gz JSYQPLUXYMQNRK-CQSZACIVSA-N -1 1 275.373 3.280 20 0 CGADMM Cc1nscc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350824841 379591810 /nfs/dbraw/zinc/59/18/10/379591810.db2.gz QVKVCIJIIFEXJL-UHFFFAOYSA-N -1 1 277.280 3.013 20 0 CGADMM C[C@H](CC(F)F)c1nc(-c2ccc([O-])cc2F)no1 ZINC000351230761 379685805 /nfs/dbraw/zinc/68/58/05/379685805.db2.gz SHOFVLKRRGVXOB-ZCFIWIBFSA-N -1 1 272.226 3.340 20 0 CGADMM CCCCCN(C(=O)C(=O)c1ccc([O-])cc1)C(C)C ZINC000280772509 379786061 /nfs/dbraw/zinc/78/60/61/379786061.db2.gz BWFVUHVJYLLOIK-UHFFFAOYSA-N -1 1 277.364 3.002 20 0 CGADMM CC1(C)CCC[C@@H]1CNC(=O)c1ccc([O-])cc1F ZINC000389013589 379891600 /nfs/dbraw/zinc/89/16/00/379891600.db2.gz DZOYQTSZYJPGKV-SNVBAGLBSA-N -1 1 265.328 3.087 20 0 CGADMM CC1(C2CC2)CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000642892686 380199568 /nfs/dbraw/zinc/19/95/68/380199568.db2.gz SGKPRNARVLSUON-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM O=C([O-])CC[C@@H]1CCC[N@@H+](CCc2ccccc2Cl)C1 ZINC000643056163 380209165 /nfs/dbraw/zinc/20/91/65/380209165.db2.gz XQXLTDVILSHNMC-ZDUSSCGKSA-N -1 1 295.810 3.459 20 0 CGADMM CCc1nc(CNCc2csc(C)c2)ccc1C(=O)[O-] ZINC000417570052 380641636 /nfs/dbraw/zinc/64/16/36/380641636.db2.gz RKRSQWQCQXITOX-UHFFFAOYSA-N -1 1 290.388 3.002 20 0 CGADMM Cc1ccc(CN[C@@H](C(=O)[O-])C(C2CCC2)C2CCC2)o1 ZINC000417661440 380663732 /nfs/dbraw/zinc/66/37/32/380663732.db2.gz RZTLSVQCBIZPPX-MRXNPFEDSA-N -1 1 291.391 3.347 20 0 CGADMM CCc1nc(SCCOCCC(C)C)[n-]c(=O)c1C ZINC000573626061 322397571 /nfs/dbraw/zinc/39/75/71/322397571.db2.gz WCKXDWRBZDFZKH-UHFFFAOYSA-N -1 1 284.425 3.208 20 0 CGADMM CC(C)(C(=O)Nc1ccc([O-])c(F)c1F)C1CC1 ZINC000335215664 207941588 /nfs/dbraw/zinc/94/15/88/207941588.db2.gz IPTQVCLDFUMRMA-UHFFFAOYSA-N -1 1 255.264 3.045 20 0 CGADMM C[C@@H]1C[C@H](C)[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)O1 ZINC000289067813 197225983 /nfs/dbraw/zinc/22/59/83/197225983.db2.gz MAYXOUVEKUVYMS-SXMVTHIZSA-N -1 1 278.283 3.067 20 0 CGADMM CO[C@H](C)c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000170730169 533116451 /nfs/dbraw/zinc/11/64/51/533116451.db2.gz BNQHMGLLFZQBCV-LLVKDONJSA-N -1 1 271.316 3.352 20 0 CGADMM O=C([O-])c1cccc(CNCc2ccsc2Cl)c1 ZINC000312667360 542433636 /nfs/dbraw/zinc/43/36/36/542433636.db2.gz IALMWRRABNSODU-UHFFFAOYSA-N -1 1 281.764 3.390 20 0 CGADMM O=c1[n-]c(-c2nc3ccccc3o2)nc2cc(F)c(F)cc12 ZINC000352206554 285400364 /nfs/dbraw/zinc/40/03/64/285400364.db2.gz NNFRMPXGEGHZBV-UHFFFAOYSA-N -1 1 299.236 3.422 20 0 CGADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1 ZINC000048652076 392007801 /nfs/dbraw/zinc/00/78/01/392007801.db2.gz FRNYNXWJPDPMAI-UHFFFAOYSA-N -1 1 281.764 3.449 20 0 CGADMM Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCC(=O)[O-] ZINC000262032139 131185070 /nfs/dbraw/zinc/18/50/70/131185070.db2.gz XFCOZNJWNCDENV-SNVBAGLBSA-N -1 1 270.398 3.042 20 0 CGADMM CCC1(C)CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000263669712 131305938 /nfs/dbraw/zinc/30/59/38/131305938.db2.gz GEZCKBUCNOVNPF-UHFFFAOYSA-N -1 1 291.420 3.409 20 0 CGADMM CC(C)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])nn1C ZINC000153628356 392524105 /nfs/dbraw/zinc/52/41/05/392524105.db2.gz WUBOHHQUHFAIFM-UHFFFAOYSA-N -1 1 293.754 3.155 20 0 CGADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1CCc1ccccc1 ZINC000153628032 392524422 /nfs/dbraw/zinc/52/44/22/392524422.db2.gz OCHPNSGKKGVBFB-OAHLLOKOSA-N -1 1 296.370 3.025 20 0 CGADMM CCCC(CCC)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505753961 392693983 /nfs/dbraw/zinc/69/39/83/392693983.db2.gz AYICBCBBBBRWBZ-UHFFFAOYSA-N -1 1 293.363 3.334 20 0 CGADMM CO[C@H](CN1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000379301985 392902275 /nfs/dbraw/zinc/90/22/75/392902275.db2.gz ZLLCTLYPCLISGM-QGZVFWFLSA-N -1 1 297.354 3.088 20 0 CGADMM [O-]c1cccc(CN2CCOc3ccccc3C2)c1Cl ZINC000380926252 392905628 /nfs/dbraw/zinc/90/56/28/392905628.db2.gz MURGVGPZCOAVLH-UHFFFAOYSA-N -1 1 289.762 3.440 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H](C)c2ccccc2F)n1 ZINC000195070742 392954970 /nfs/dbraw/zinc/95/49/70/392954970.db2.gz ZGYYCFABSROTRD-SECBINFHSA-N -1 1 278.352 3.325 20 0 CGADMM CCC[C@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000213371741 392985384 /nfs/dbraw/zinc/98/53/84/392985384.db2.gz TYMSWPCXKXDGBB-LBPRGKRZSA-N -1 1 265.328 3.326 20 0 CGADMM Cc1ccc([C@@H]2CCN(C(=O)c3ncc(C)cc3[O-])C2)cc1 ZINC000548307170 393191453 /nfs/dbraw/zinc/19/14/53/393191453.db2.gz LQYBALFYEDYYTL-OAHLLOKOSA-N -1 1 296.370 3.034 20 0 CGADMM CC[C@H](NC(=O)c1c(F)ccc([O-])c1F)[C@@H]1CC1(C)C ZINC000416273202 393288109 /nfs/dbraw/zinc/28/81/09/393288109.db2.gz FJXMMJLFVDCVAA-WPRPVWTQSA-N -1 1 283.318 3.225 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])cc1F)[C@@H]1CC1(C)C ZINC000416276053 393289289 /nfs/dbraw/zinc/28/92/89/393289289.db2.gz MFQHRYYBNSVDJZ-AAEUAGOBSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(SC(C)C)cc1 ZINC000646409279 393280202 /nfs/dbraw/zinc/28/02/02/393280202.db2.gz NSDXZAJPEGKYPO-UHFFFAOYSA-N -1 1 291.376 3.177 20 0 CGADMM CCC[C@H](C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000649577202 393496915 /nfs/dbraw/zinc/49/69/15/393496915.db2.gz ULIGXBAAVMAWKE-VIFPVBQESA-N -1 1 285.340 3.039 20 0 CGADMM Cc1cc(C)nc([N-]S(=O)(=O)CCC2CCCC2)c1 ZINC000649591508 393505318 /nfs/dbraw/zinc/50/53/18/393505318.db2.gz KXHBQRDMLXIILI-UHFFFAOYSA-N -1 1 282.409 3.020 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@H]2CCc3ccccc32)n1 ZINC000432673909 393626862 /nfs/dbraw/zinc/62/68/62/393626862.db2.gz YJGIHMCLPSFSMD-LLVKDONJSA-N -1 1 288.372 3.018 20 0 CGADMM Cc1cccnc1/C=C\C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000492622237 393763103 /nfs/dbraw/zinc/76/31/03/393763103.db2.gz JCAYXNGBPQVYKQ-ALCCZGGFSA-N -1 1 288.734 3.401 20 0 CGADMM Cc1cncc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445450824 393795109 /nfs/dbraw/zinc/79/51/09/393795109.db2.gz XBVGAAZQRIVXHB-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CCCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445448017 393795209 /nfs/dbraw/zinc/79/52/09/393795209.db2.gz KEFDDABCDXEAPC-UHFFFAOYSA-N -1 1 252.701 3.438 20 0 CGADMM Cc1ccc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)cn1 ZINC000445459183 393796909 /nfs/dbraw/zinc/79/69/09/393796909.db2.gz YJRZABVMZHLBRU-DAXSKMNVSA-N -1 1 297.289 3.455 20 0 CGADMM CCO[C@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)C(C)C ZINC000445478067 393798640 /nfs/dbraw/zinc/79/86/40/393798640.db2.gz PQSKFTXTBZVEGJ-CYBMUJFWSA-N -1 1 294.326 3.185 20 0 CGADMM CC(=O)c1[n-]c(=N[C@@H]2CCc3ccccc32)sc1C ZINC000450230942 393992988 /nfs/dbraw/zinc/99/29/88/393992988.db2.gz HGQCIVQKYCLIFV-CYBMUJFWSA-N -1 1 272.373 3.175 20 0 CGADMM CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc([O-])cc1F ZINC000452524065 394078174 /nfs/dbraw/zinc/07/81/74/394078174.db2.gz HBYLBHRVOINUJN-GHMZBOCLSA-N -1 1 265.328 3.087 20 0 CGADMM CC[C@H]1CCC[C@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000452526490 394079047 /nfs/dbraw/zinc/07/90/47/394079047.db2.gz KAHVTUCOHWQHJU-UWVGGRQHSA-N -1 1 283.318 3.227 20 0 CGADMM C[C@]12CN(C(=O)c3ccc([O-])cc3F)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000456979041 394305078 /nfs/dbraw/zinc/30/50/78/394305078.db2.gz JPNLEKOJQZYFGV-KOZDUTSQSA-N -1 1 289.350 3.040 20 0 CGADMM Cc1noc(C)c1N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000673900796 543258358 /nfs/dbraw/zinc/25/83/58/543258358.db2.gz VRIMJZHBRCDNAG-UHFFFAOYSA-N -1 1 296.326 3.427 20 0 CGADMM O=C(Nc1nc2ccccc2n1C1CC1)c1ccccc1[O-] ZINC000677287925 543442578 /nfs/dbraw/zinc/44/25/78/543442578.db2.gz MARGUXBDPABWNK-UHFFFAOYSA-N -1 1 293.326 3.329 20 0 CGADMM O=C(CCCC(F)(F)F)Nc1c([O-])cccc1F ZINC000678374437 543519071 /nfs/dbraw/zinc/51/90/71/543519071.db2.gz JSPJUZMMMBRJSJ-UHFFFAOYSA-N -1 1 265.206 3.202 20 0 CGADMM Cc1ncc(CNC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000049534802 286927072 /nfs/dbraw/zinc/92/70/72/286927072.db2.gz IRJONSVSRRCUKZ-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM CN(Cc1nccs1)C(=O)c1cc2ccccc2cc1[O-] ZINC000074810408 287018040 /nfs/dbraw/zinc/01/80/40/287018040.db2.gz QPOKAYURPYFEFT-UHFFFAOYSA-N -1 1 298.367 3.274 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1 ZINC000075082654 287021542 /nfs/dbraw/zinc/02/15/42/287021542.db2.gz QTXMTKZRLZCAQT-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM CC1(C)CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000075235908 287023099 /nfs/dbraw/zinc/02/30/99/287023099.db2.gz OMZNYWHLDHJWCA-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(Cl)cn1 ZINC000080695237 287067716 /nfs/dbraw/zinc/06/77/16/287067716.db2.gz BQCSSWYSKYIZHE-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000082192612 165168941 /nfs/dbraw/zinc/16/89/41/165168941.db2.gz ZSODGDGPTCAHKX-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM O=C(Nc1ccc(N2CCCCC2)cn1)c1ccccc1[O-] ZINC000123034512 287215284 /nfs/dbraw/zinc/21/52/84/287215284.db2.gz KNMXWPPGFUMBIR-UHFFFAOYSA-N -1 1 297.358 3.030 20 0 CGADMM O=C([O-])CC[C@@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000043585925 175071959 /nfs/dbraw/zinc/07/19/59/175071959.db2.gz GFXYWCCOFQIVHB-NSHDSACASA-N -1 1 283.318 3.042 20 0 CGADMM C[C@H]1CCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000044490206 175180401 /nfs/dbraw/zinc/18/04/01/175180401.db2.gz VXGOIFZOVZGLFJ-VIFPVBQESA-N -1 1 298.180 3.169 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(-c2ccccc2)no1 ZINC000128810079 287319039 /nfs/dbraw/zinc/31/90/39/287319039.db2.gz YGYUMTSRUDGRFJ-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM [O-]c1cccc(CN[C@@H]2CCCC2(F)F)c1Cl ZINC000398191494 416543729 /nfs/dbraw/zinc/54/37/29/416543729.db2.gz ZOVJKEODRFJVQF-SNVBAGLBSA-N -1 1 261.699 3.323 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC(F)(F)C1 ZINC000404741580 416556983 /nfs/dbraw/zinc/55/69/83/416556983.db2.gz PGSHECVLTWYTLY-UHFFFAOYSA-N -1 1 291.297 3.417 20 0 CGADMM CC[C@@H](C)n1nc(C(=O)Nc2c([O-])cccc2F)cc1C ZINC000679239412 543606222 /nfs/dbraw/zinc/60/62/22/543606222.db2.gz JSZZYIDWRUFXSX-SECBINFHSA-N -1 1 291.326 3.260 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1F ZINC000679251282 543607149 /nfs/dbraw/zinc/60/71/49/543607149.db2.gz JGZPWZGLWHDLON-IAQYHMDHSA-N -1 1 287.334 3.366 20 0 CGADMM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681017245 543757651 /nfs/dbraw/zinc/75/76/51/543757651.db2.gz MANAJBDMVWOCCO-GXFFZTMASA-N -1 1 265.328 3.182 20 0 CGADMM CCC(CC)N(C(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000681039107 543759266 /nfs/dbraw/zinc/75/92/66/543759266.db2.gz ILCAGDOXUHMQOA-UHFFFAOYSA-N -1 1 265.328 3.325 20 0 CGADMM Cc1cccc(C)c1NC(=O)c1ccc([O-])c(F)c1 ZINC000681050189 543761146 /nfs/dbraw/zinc/76/11/46/543761146.db2.gz SOVNKKVGEVTCCF-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CC(C)C[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681052801 543761359 /nfs/dbraw/zinc/76/13/59/543761359.db2.gz UPOBMABUJIUVAC-LLVKDONJSA-N -1 1 265.328 3.040 20 0 CGADMM CCC(CC)[C@@H](CCNC(=O)c1ccc([O-])c(F)c1)OC ZINC000681059193 543762346 /nfs/dbraw/zinc/76/23/46/543762346.db2.gz XCTDRETTZWFKMB-OAHLLOKOSA-N -1 1 297.370 3.102 20 0 CGADMM CC(C)CC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000132020024 287395157 /nfs/dbraw/zinc/39/51/57/287395157.db2.gz BJTORPAJSWGQLQ-ZDUSSCGKSA-N -1 1 276.380 3.218 20 0 CGADMM COC1CCC(c2nc(-c3ccc([O-])cc3F)no2)CC1 ZINC000685365810 544063686 /nfs/dbraw/zinc/06/36/86/544063686.db2.gz BWPPLZHKYARZRZ-UHFFFAOYSA-N -1 1 292.310 3.254 20 0 CGADMM Cc1ccc(CCC(=O)Nc2c([O-])cccc2F)s1 ZINC000685742963 544096013 /nfs/dbraw/zinc/09/60/13/544096013.db2.gz MEFWZIVWWXIMAL-UHFFFAOYSA-N -1 1 279.336 3.473 20 0 CGADMM CCC[C@@]1(C)CCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000652419300 418965861 /nfs/dbraw/zinc/96/58/61/418965861.db2.gz NJVMXZOOZJIDDN-AWEZNQCLSA-N -1 1 282.409 3.244 20 0 CGADMM CC(=O)C(C)(C)CCC(=O)Nc1ccc([O-])c(F)c1F ZINC000654307872 418958676 /nfs/dbraw/zinc/95/86/76/418958676.db2.gz KRKHUBOVTYYVMT-UHFFFAOYSA-N -1 1 285.290 3.004 20 0 CGADMM Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000654308903 418959370 /nfs/dbraw/zinc/95/93/70/418959370.db2.gz PJWABZOBYFGBGO-ZCFIWIBFSA-N -1 1 296.273 3.017 20 0 CGADMM CCO[C@H]1CCCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000652394799 418961342 /nfs/dbraw/zinc/96/13/42/418961342.db2.gz HDOWNQNODAGNLT-NSHDSACASA-N -1 1 297.782 3.039 20 0 CGADMM CCN(CCC(F)(F)F)Cc1cc(C(=O)[O-])oc1C ZINC000652405491 418962782 /nfs/dbraw/zinc/96/27/82/418962782.db2.gz BVFRGNKYANUCOM-UHFFFAOYSA-N -1 1 279.258 3.061 20 0 CGADMM CCN(Cc1ccoc1)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000652408187 418963524 /nfs/dbraw/zinc/96/35/24/418963524.db2.gz JBTNSGCSQDLQLW-SNVBAGLBSA-N -1 1 263.293 3.154 20 0 CGADMM CC[C@@H](c1ccc(Cl)cc1)N(C)Cc1n[n-]c(=O)o1 ZINC000660849886 419203876 /nfs/dbraw/zinc/20/38/76/419203876.db2.gz HBRFPIXJPWLCOC-NSHDSACASA-N -1 1 281.743 3.012 20 0 CGADMM C[C@H]1CC[C@H](C(=O)[O-])CN1c1ccnc2cc(F)ccc21 ZINC000662894882 419503996 /nfs/dbraw/zinc/50/39/96/419503996.db2.gz XEHMERUSWJNOAZ-QWRGUYRKSA-N -1 1 288.322 3.063 20 0 CGADMM O=C(/C=C/c1ccc[nH]1)Nc1ccc([O-])c(Cl)c1 ZINC000188604255 287561994 /nfs/dbraw/zinc/56/19/94/287561994.db2.gz XMBQWQCSPFVUOS-GQCTYLIASA-N -1 1 262.696 3.026 20 0 CGADMM Cc1nnsc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000191470686 287593616 /nfs/dbraw/zinc/59/36/16/287593616.db2.gz FVKKINSGMHLMFP-UHFFFAOYSA-N -1 1 289.694 3.030 20 0 CGADMM O=C(NC[C@H]1CCCC1(F)F)c1ccc(Cl)cc1[O-] ZINC000391106583 262381663 /nfs/dbraw/zinc/38/16/63/262381663.db2.gz XAKHZNRVDWUDFA-MRVPVSSYSA-N -1 1 289.709 3.211 20 0 CGADMM O=C([O-])c1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000033559103 270027089 /nfs/dbraw/zinc/02/70/89/270027089.db2.gz WRJIVIZITRWRLU-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM CCN(Cc1ccncc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000042272101 270032304 /nfs/dbraw/zinc/03/23/04/270032304.db2.gz ASBWQVBLMLUVPF-UHFFFAOYSA-N -1 1 290.750 3.103 20 0 CGADMM CCC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000042341067 270032604 /nfs/dbraw/zinc/03/26/04/270032604.db2.gz SSANEIJHDAELGH-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000188897370 270070221 /nfs/dbraw/zinc/07/02/21/270070221.db2.gz LLFILZLHGFUFKC-UHFFFAOYSA-N -1 1 291.372 3.316 20 0 CGADMM CC(F)(F)c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000190184464 270073429 /nfs/dbraw/zinc/07/34/29/270073429.db2.gz VRDOVLMFXOPZJV-UHFFFAOYSA-N -1 1 278.258 3.151 20 0 CGADMM CS[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000227354586 270087163 /nfs/dbraw/zinc/08/71/63/270087163.db2.gz ODWWRVSQKRPOTJ-MNOVXSKESA-N -1 1 299.823 3.450 20 0 CGADMM O=C(NCCOC1CCCC1)c1ccc2ccccc2c1[O-] ZINC000316287591 270093063 /nfs/dbraw/zinc/09/30/63/270093063.db2.gz KIACWOUKWAEPED-UHFFFAOYSA-N -1 1 299.370 3.234 20 0 CGADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])[C@@H]2CCC[C@H]21 ZINC000294118529 276127792 /nfs/dbraw/zinc/12/77/92/276127792.db2.gz CGAARVYGVLGXKH-CHWSQXEVSA-N -1 1 277.339 3.182 20 0 CGADMM CC1(C)CN(C(=O)c2ccc(Cl)cc2[O-])[C@H]1C1CC1 ZINC000291876178 278322175 /nfs/dbraw/zinc/32/21/75/278322175.db2.gz HYXBWMHMNVWHMQ-ZDUSSCGKSA-N -1 1 279.767 3.306 20 0 CGADMM COc1cc(C(=O)N[C@H](C)CCC2CC2)cc(Cl)c1[O-] ZINC000443130267 288070276 /nfs/dbraw/zinc/07/02/76/288070276.db2.gz HVIJPIJKZGOGFB-SECBINFHSA-N -1 1 297.782 3.363 20 0 CGADMM COc1cc(C(=O)NCC2CC(C)(C)C2)cc(Cl)c1[O-] ZINC000527486757 288171786 /nfs/dbraw/zinc/17/17/86/288171786.db2.gz FDXXJYOBAMNJLL-UHFFFAOYSA-N -1 1 297.782 3.220 20 0 CGADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(F)c1[O-] ZINC000530006299 288281996 /nfs/dbraw/zinc/28/19/96/288281996.db2.gz ONFCTEAEQKEVHM-MFKMUULPSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530006413 288282064 /nfs/dbraw/zinc/28/20/64/288282064.db2.gz RSNNPXWPYGLZHL-UWVGGRQHSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@@H]1CC(F)(F)CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000530017556 288286102 /nfs/dbraw/zinc/28/61/02/288286102.db2.gz WVZNZKOCDFVCMJ-MRVPVSSYSA-N -1 1 289.709 3.305 20 0 CGADMM Cc1ccc(Oc2ccccc2)c([N-]S(C)(=O)=O)c1 ZINC000531008504 288324037 /nfs/dbraw/zinc/32/40/37/288324037.db2.gz KXVFVLVITAXGOH-UHFFFAOYSA-N -1 1 277.345 3.159 20 0 CGADMM Cc1ccc(C(=O)CSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000537417883 288529194 /nfs/dbraw/zinc/52/91/94/288529194.db2.gz ZIJBJESVAZNSLK-UHFFFAOYSA-N -1 1 288.372 3.082 20 0 CGADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cncc([O-])c2)CC1 ZINC000546721426 288937295 /nfs/dbraw/zinc/93/72/95/288937295.db2.gz YNPLWGPLPHYZJR-OCCSQVGLSA-N -1 1 276.380 3.122 20 0 CGADMM C[C@@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)[O-] ZINC000049354524 525603045 /nfs/dbraw/zinc/60/30/45/525603045.db2.gz KXJFRDAXKPPBKP-NTSWFWBYSA-N -1 1 280.126 3.256 20 0 CGADMM Cc1cnc(SC[C@@H]2CCC[C@H](C)C2)[n-]c1=O ZINC000582976889 329293584 /nfs/dbraw/zinc/29/35/84/329293584.db2.gz XFCAEZNZTWDIJO-GXSJLCMTSA-N -1 1 252.383 3.409 20 0 CGADMM CC[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000153545005 321722021 /nfs/dbraw/zinc/72/20/21/321722021.db2.gz GNONLUSCDLEAEU-SECBINFHSA-N -1 1 298.180 3.027 20 0 CGADMM CCOCC[N@H+](Cc1ccc(C(=O)[O-])o1)CC1CCCC1 ZINC000564738468 322041105 /nfs/dbraw/zinc/04/11/05/322041105.db2.gz CGPKWOUPXAKQJW-UHFFFAOYSA-N -1 1 295.379 3.007 20 0 CGADMM CCCN(C[C@@H]1CCCCO1)[C@@H](C(=O)[O-])c1ccsc1 ZINC000568639719 322216665 /nfs/dbraw/zinc/21/66/65/322216665.db2.gz SSWMHXBLITXOPP-UONOGXRCSA-N -1 1 297.420 3.155 20 0 CGADMM O=C([O-])[C@@H](c1ccsc1)N1CCc2cc(F)ccc2C1 ZINC000571172056 322291960 /nfs/dbraw/zinc/29/19/60/322291960.db2.gz KAIOPHHNRCXKEV-CQSZACIVSA-N -1 1 291.347 3.071 20 0 CGADMM CCc1nc(SCCCc2ccncc2)[n-]c(=O)c1C ZINC000571778206 322307789 /nfs/dbraw/zinc/30/77/89/322307789.db2.gz IAGOWDXUQGSNOS-UHFFFAOYSA-N -1 1 289.404 3.173 20 0 CGADMM CCc1nc(SCc2cccc(OC)c2)[n-]c(=O)c1C ZINC000571778514 322307849 /nfs/dbraw/zinc/30/78/49/322307849.db2.gz MEVDIVPOOBJMMV-UHFFFAOYSA-N -1 1 290.388 3.354 20 0 CGADMM CC[C@H]1CN([C@H](C)c2cc(C(=O)[O-])c(C)o2)CCS1 ZINC000572774123 322354073 /nfs/dbraw/zinc/35/40/73/322354073.db2.gz URWJOTDXYHOYAG-KOLCDFICSA-N -1 1 283.393 3.175 20 0 CGADMM CCC1(NC(=O)c2ccc([O-])cc2F)CCCCC1 ZINC000389720157 328950667 /nfs/dbraw/zinc/95/06/67/328950667.db2.gz HMFKOCMVRNSKRG-UHFFFAOYSA-N -1 1 265.328 3.374 20 0 CGADMM O=C([O-])CCN(Cc1cccc(F)c1F)[C@H]1C=CCCC1 ZINC000582909457 329286884 /nfs/dbraw/zinc/28/68/84/329286884.db2.gz MLWQKQHSHUKTPF-ZDUSSCGKSA-N -1 1 295.329 3.350 20 0 CGADMM O=C([O-])C[C@@H]1CCCN1Cc1csc(C2CCCC2)n1 ZINC000576233885 335175195 /nfs/dbraw/zinc/17/51/95/335175195.db2.gz MTOVGXHLGVKCLC-ZDUSSCGKSA-N -1 1 294.420 3.240 20 0 CGADMM C[C@H]1CCC[C@H](c2nc3cc(F)c([O-])cc3c(=O)[nH]2)C1 ZINC000576728548 335240805 /nfs/dbraw/zinc/24/08/05/335240805.db2.gz LQUAUCHFVGUQAC-IUCAKERBSA-N -1 1 276.311 3.062 20 0 CGADMM C[C@H]1CC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000350812626 335535894 /nfs/dbraw/zinc/53/58/94/335535894.db2.gz HIVDFFMUKMVDCU-WRWORJQWSA-N -1 1 280.711 3.336 20 0 CGADMM COc1cc(-c2nc(-c3ccoc3)no2)cc(Cl)c1[O-] ZINC000350811871 335536125 /nfs/dbraw/zinc/53/61/25/335536125.db2.gz JFKNQWTYSFZQPX-UHFFFAOYSA-N -1 1 292.678 3.364 20 0 CGADMM C[C@H](c1cccnc1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000194774848 336038560 /nfs/dbraw/zinc/03/85/60/336038560.db2.gz WXSRZJZBEHVLJA-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM CC1(C)CC[C@H]1NC(=O)c1cc(Br)ccc1[O-] ZINC000383502989 336110985 /nfs/dbraw/zinc/11/09/85/336110985.db2.gz ZHZCTCWFYINDGT-LLVKDONJSA-N -1 1 298.180 3.073 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CCc2ccccc2[C@H]1C ZINC000582008393 336190378 /nfs/dbraw/zinc/19/03/78/336190378.db2.gz LIWJIYWFVAOEKA-LLVKDONJSA-N -1 1 285.343 3.406 20 0 CGADMM C[C@H](CC1CC1)NC(=O)c1ccc(Br)c([O-])c1 ZINC000157266803 533765670 /nfs/dbraw/zinc/76/56/70/533765670.db2.gz BSWRAFFBGVRFGK-MRVPVSSYSA-N -1 1 298.180 3.073 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000359156247 534307492 /nfs/dbraw/zinc/30/74/92/534307492.db2.gz DHXAKKUADUDBGA-VXGBXAGGSA-N -1 1 288.372 3.092 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000359156243 534307612 /nfs/dbraw/zinc/30/76/12/534307612.db2.gz DHXAKKUADUDBGA-NWDGAFQWSA-N -1 1 288.372 3.092 20 0 CGADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@H](C)c1cccnc1 ZINC000094151561 520067446 /nfs/dbraw/zinc/06/74/46/520067446.db2.gz BHFHBCYARZSFCW-LLVKDONJSA-N -1 1 288.322 3.150 20 0 CGADMM O=C([O-])[C@@H](NCc1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC000426765860 534515391 /nfs/dbraw/zinc/51/53/91/534515391.db2.gz SXRLDDJVRMTLQO-AWEZNQCLSA-N -1 1 295.260 3.019 20 0 CGADMM CO[C@H](C)c1nc(=NCC2(CC(C)C)CCC2)s[n-]1 ZINC000337880436 523906121 /nfs/dbraw/zinc/90/61/21/523906121.db2.gz UFRYZTPGBZZTJI-LLVKDONJSA-N -1 1 283.441 3.296 20 0 CGADMM C[C@H](Cc1cccs1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000070140847 524752761 /nfs/dbraw/zinc/75/27/61/524752761.db2.gz DFWRZWKZMNKOFI-SECBINFHSA-N -1 1 295.791 3.468 20 0 CGADMM CC(C)C(C)(C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000440308745 527559022 /nfs/dbraw/zinc/55/90/22/527559022.db2.gz UHRLUZDWGAFGKZ-UHFFFAOYSA-N -1 1 277.393 3.181 20 0 CGADMM CC(C)[C@H]1C[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436879343 527877829 /nfs/dbraw/zinc/87/78/29/527877829.db2.gz MHEGCDDUXZRGOI-MNOVXSKESA-N -1 1 262.284 3.341 20 0 CGADMM CC1CCC(C)(CNC(=O)c2ccc([O-])cc2F)CC1 ZINC000436896407 528170317 /nfs/dbraw/zinc/17/03/17/528170317.db2.gz YMXIZDJZAXKOKT-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM CCC(CC)[C@@H](CCNC(=O)c1c([O-])cccc1F)OC ZINC000436991240 528816865 /nfs/dbraw/zinc/81/68/65/528816865.db2.gz URTHBKSYOKSUAC-CQSZACIVSA-N -1 1 297.370 3.102 20 0 CGADMM CC(C)[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436763807 529076998 /nfs/dbraw/zinc/07/69/98/529076998.db2.gz HVLJJLVNHZIISC-INIZCTEOSA-N -1 1 297.354 3.088 20 0 CGADMM CC[C@H]1CCCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436748222 529200142 /nfs/dbraw/zinc/20/01/42/529200142.db2.gz DWLHUACNTWGYTJ-NSHDSACASA-N -1 1 297.782 3.459 20 0 CGADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000436572173 529213122 /nfs/dbraw/zinc/21/31/22/529213122.db2.gz FQMXZJILKXUTPT-VXGBXAGGSA-N -1 1 297.395 3.325 20 0 CGADMM CCC[C@@H](C(=O)[O-])N(C)Cc1c(F)cccc1Cl ZINC000515855275 535320721 /nfs/dbraw/zinc/32/07/21/535320721.db2.gz BVUMSAAPTGAVOS-LBPRGKRZSA-N -1 1 273.735 3.164 20 0 CGADMM CCc1cc(=O)[n-]c(SCC(=O)CC(C)(C)C2CC2)n1 ZINC000450911384 536154339 /nfs/dbraw/zinc/15/43/39/536154339.db2.gz RCIHFURYDWPDJW-UHFFFAOYSA-N -1 1 294.420 3.232 20 0 CGADMM C[C@@H](c1cccc(Cl)c1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737722823 572448025 /nfs/dbraw/zinc/44/80/25/572448025.db2.gz XHAMUPQJRXJLDK-NSHDSACASA-N -1 1 296.798 3.475 20 0 CGADMM C[C@H]1CN(Cc2cccc(Cl)c2F)CC[C@@H]1C(=O)[O-] ZINC000302493757 572517636 /nfs/dbraw/zinc/51/76/36/572517636.db2.gz JOYNKFBMUDGENZ-ONGXEEELSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)C(C)(C)C ZINC000734549849 572665526 /nfs/dbraw/zinc/66/55/26/572665526.db2.gz YEZBEKSSVPVWDS-SECBINFHSA-N -1 1 269.772 3.458 20 0 CGADMM CCCC[C@H]1CCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000736441687 572792006 /nfs/dbraw/zinc/79/20/06/572792006.db2.gz SSZDLRAENNVHGU-RYUDHWBXSA-N -1 1 286.383 3.033 20 0 CGADMM CCCC[C@H]1CCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000736441687 572792011 /nfs/dbraw/zinc/79/20/11/572792011.db2.gz SSZDLRAENNVHGU-RYUDHWBXSA-N -1 1 286.383 3.033 20 0 CGADMM CC[C@](C)([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000749385173 572995775 /nfs/dbraw/zinc/99/57/75/572995775.db2.gz HOFQZJPKKUWFIC-LBPRGKRZSA-N -1 1 277.261 3.328 20 0 CGADMM Fc1cccc(OC/C=C/c2ccccc2)c1-c1nnn[n-]1 ZINC000826378047 607865707 /nfs/dbraw/zinc/86/57/07/607865707.db2.gz SIGLTWHTKSGZPS-VMPITWQZSA-N -1 1 296.305 3.098 20 0 CGADMM Fc1cccc(OC/C=C/c2ccccc2)c1-c1nn[n-]n1 ZINC000826378047 607865708 /nfs/dbraw/zinc/86/57/08/607865708.db2.gz SIGLTWHTKSGZPS-VMPITWQZSA-N -1 1 296.305 3.098 20 0 CGADMM C[C@H](c1c(F)cccc1F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405368212 600307380 /nfs/dbraw/zinc/30/73/80/600307380.db2.gz WRQILZKGEFNOAL-GHMZBOCLSA-N -1 1 295.329 3.213 20 0 CGADMM Cn1cccc1[C@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC000833058365 601119167 /nfs/dbraw/zinc/11/91/67/601119167.db2.gz DDDGKSGBEZCORB-CQSZACIVSA-N -1 1 288.347 3.044 20 0 CGADMM Cc1cc(CN2CC[C@H]2c2ccccc2)oc1C(=O)[O-] ZINC000832883090 601169625 /nfs/dbraw/zinc/16/96/25/601169625.db2.gz RHKWBTUBULGRON-AWEZNQCLSA-N -1 1 271.316 3.233 20 0 CGADMM C/C(=C\CN1CCc2cc(-c3ccccc3)oc2C1)C(=O)[O-] ZINC000825747267 601562763 /nfs/dbraw/zinc/56/27/63/601562763.db2.gz RJFUJWJXOAJWDV-NTUHNPAUSA-N -1 1 297.354 3.336 20 0 CGADMM CCC(C)(C)CCSCc1ccnc(-c2nnn[n-]2)c1 ZINC000825039266 607534917 /nfs/dbraw/zinc/53/49/17/607534917.db2.gz OYNLWQLRDOACDR-UHFFFAOYSA-N -1 1 291.424 3.321 20 0 CGADMM CCC(C)(C)CCSCc1ccnc(-c2nn[n-]n2)c1 ZINC000825039266 607534919 /nfs/dbraw/zinc/53/49/19/607534919.db2.gz OYNLWQLRDOACDR-UHFFFAOYSA-N -1 1 291.424 3.321 20 0 CGADMM CCc1c(C)[n-]n(-c2cc(Br)ccc2F)c1=O ZINC000899361755 620666823 /nfs/dbraw/zinc/66/68/23/620666823.db2.gz CKYDZCXUJCFQTC-VIFPVBQESA-N -1 1 299.143 3.337 20 0 CGADMM CCc1[n-]n(-c2cccc(C)c2Cl)c(=O)c1F ZINC000899362417 620670311 /nfs/dbraw/zinc/67/03/11/620670311.db2.gz SRBZEWZCFCAFKY-LLVKDONJSA-N -1 1 254.692 3.099 20 0 CGADMM O=C([O-])[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000003747817 604526894 /nfs/dbraw/zinc/52/68/94/604526894.db2.gz ZFKSFZANYYZPQT-NSHDSACASA-N -1 1 274.147 3.042 20 0 CGADMM C[C@H](c1ccccn1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833548555 604564971 /nfs/dbraw/zinc/56/49/71/604564971.db2.gz FEVGJWJUVAMVBR-LLVKDONJSA-N -1 1 288.322 3.112 20 0 CGADMM C/C(=C\CN[C@H](C)c1ccccc1Br)C(=O)[O-] ZINC000379795517 605062038 /nfs/dbraw/zinc/06/20/38/605062038.db2.gz FGRUKLPPJKPDSG-TTZKWOQHSA-N -1 1 298.180 3.131 20 0 CGADMM Cc1nc([C@@H](C)NCC2(NC(=O)[O-])CCCCC2)cs1 ZINC000830709563 605480798 /nfs/dbraw/zinc/48/07/98/605480798.db2.gz MENMZZZOMWOYKS-SNVBAGLBSA-N -1 1 297.424 3.073 20 0 CGADMM C[C@H](c1ccc(F)cc1F)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833833620 605894368 /nfs/dbraw/zinc/89/43/68/605894368.db2.gz YVESNSYIULPKJJ-MXWKQRLJSA-N -1 1 298.333 3.004 20 0 CGADMM CC(C)CCSc1snc(Cl)c1-c1nnn[n-]1 ZINC000824249062 608186744 /nfs/dbraw/zinc/18/67/44/608186744.db2.gz HNFVHQFZMMWWQL-UHFFFAOYSA-N -1 1 289.817 3.115 20 0 CGADMM CC(C)CCSc1snc(Cl)c1-c1nn[n-]n1 ZINC000824249062 608186745 /nfs/dbraw/zinc/18/67/45/608186745.db2.gz HNFVHQFZMMWWQL-UHFFFAOYSA-N -1 1 289.817 3.115 20 0 CGADMM CN(C)c1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1F ZINC000067735003 617693078 /nfs/dbraw/zinc/69/30/78/617693078.db2.gz FXUYHISXABTHLT-ONNFQVAWSA-N -1 1 285.318 3.493 20 0 CGADMM CCCCCN(C(=O)c1cnc(C2CC2)[n-]c1=O)C(C)C ZINC000900300507 620778455 /nfs/dbraw/zinc/77/84/55/620778455.db2.gz BXBUOGUZQOFKRZ-UHFFFAOYSA-N -1 1 291.395 3.100 20 0 CGADMM CC[C@@H](C)CN(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900656526 620805082 /nfs/dbraw/zinc/80/50/82/620805082.db2.gz POGROHHMYGYWRY-SNVBAGLBSA-N -1 1 290.338 3.198 20 0 CGADMM C[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(F)F ZINC000894051107 619359373 /nfs/dbraw/zinc/35/93/73/619359373.db2.gz YXXFOYJVAXPBHW-LURJTMIESA-N -1 1 283.652 3.202 20 0 CGADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000049083337 619681460 /nfs/dbraw/zinc/68/14/60/619681460.db2.gz CRNLLVYXKQBFNP-NXEZZACHSA-N -1 1 267.756 3.164 20 0 CGADMM [O-]c1ccc(-c2noc(C3(C4CC4)CC3)n2)cc1F ZINC000896224765 619969049 /nfs/dbraw/zinc/96/90/49/619969049.db2.gz QIDLOAOVOXSWPQ-UHFFFAOYSA-N -1 1 260.268 3.023 20 0 CGADMM CC[C@@H](C)N(OC)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897042539 620127586 /nfs/dbraw/zinc/12/75/86/620127586.db2.gz KLKCJPXHFULFHC-SNVBAGLBSA-N -1 1 289.331 3.053 20 0 CGADMM C/C(=C\c1ccc(Cl)cc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000179234907 620373954 /nfs/dbraw/zinc/37/39/54/620373954.db2.gz FMYMYBLXSGFMBU-PLSXKVAHSA-N -1 1 295.766 3.318 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccnc(Cl)c1 ZINC000067739048 620376966 /nfs/dbraw/zinc/37/69/66/620376966.db2.gz AOVUTSXLEXYVOX-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM C[C@@H](C(=O)[N-]Oc1ccc(F)cc1)C1CCCC1 ZINC000898573796 620597087 /nfs/dbraw/zinc/59/70/87/620597087.db2.gz RPQULVANPSMCFS-SNVBAGLBSA-N -1 1 251.301 3.062 20 0 CGADMM CC(C)(CC(=O)[N-]Oc1ccc(F)cc1)C(F)(F)F ZINC000898575112 620597300 /nfs/dbraw/zinc/59/73/00/620597300.db2.gz PXLVMLFFEOLZKO-UHFFFAOYSA-N -1 1 279.233 3.214 20 0 CGADMM COCC[C@@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901619649 620948292 /nfs/dbraw/zinc/94/82/92/620948292.db2.gz SJAXGPHXKCIELL-LLVKDONJSA-N -1 1 290.388 3.366 20 0 CGADMM Cc1cc(CNCc2ccc3c(c2)CCCC3)oc1C(=O)[O-] ZINC000901939474 621070236 /nfs/dbraw/zinc/07/02/36/621070236.db2.gz PTDJWDTVPRBGNC-UHFFFAOYSA-N -1 1 299.370 3.455 20 0 CGADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1ccco1 ZINC000902047753 621116834 /nfs/dbraw/zinc/11/68/34/621116834.db2.gz SFLLBQGOWINKFU-GJZGRUSLSA-N -1 1 271.316 3.070 20 0 CGADMM CCc1oc(CN[C@@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC000902088448 621142072 /nfs/dbraw/zinc/14/20/72/621142072.db2.gz POSDMOJFINWCSJ-OAHLLOKOSA-N -1 1 285.343 3.317 20 0 CGADMM Cc1cc(CN[C@H]2CCc3ccc(F)cc32)oc1C(=O)[O-] ZINC000902233879 621204373 /nfs/dbraw/zinc/20/43/73/621204373.db2.gz FGZJLJIPOPXLSP-AWEZNQCLSA-N -1 1 289.306 3.202 20 0 CGADMM CC1(C)CCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000902525146 621362441 /nfs/dbraw/zinc/36/24/41/621362441.db2.gz RLCPBEBEMNVCNJ-UHFFFAOYSA-N -1 1 253.729 3.023 20 0 CGADMM Cc1cc([C@H](C)[N@H+]2CCC[C@@H](CF)C2)oc1C(=O)[O-] ZINC000903608570 621771679 /nfs/dbraw/zinc/77/16/79/621771679.db2.gz XAWWYEXSURKKDB-QWRGUYRKSA-N -1 1 269.316 3.029 20 0 CGADMM O=C([O-])c1ccc(CN[C@@H]2C[C@]2(F)c2ccccc2)s1 ZINC000903690283 621789600 /nfs/dbraw/zinc/78/96/00/621789600.db2.gz ATHNECFKPPQYSG-HIFRSBDPSA-N -1 1 291.347 3.173 20 0 CGADMM COc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])o2)cc1C ZINC000905770642 622109030 /nfs/dbraw/zinc/10/90/30/622109030.db2.gz NTAAQJGDEANPKG-LLVKDONJSA-N -1 1 289.331 3.146 20 0 CGADMM CC(C)[C@@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908713421 622369991 /nfs/dbraw/zinc/36/99/91/622369991.db2.gz SOSNNHANUACPIM-MRVPVSSYSA-N -1 1 286.169 3.385 20 0 CGADMM Cc1noc(C(C)C)c1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909974033 622439791 /nfs/dbraw/zinc/43/97/91/622439791.db2.gz CZESDANPHJZKEY-UHFFFAOYSA-N -1 1 296.273 3.343 20 0 CGADMM CCCCCCOCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909976354 622439976 /nfs/dbraw/zinc/43/99/76/622439976.db2.gz JQTKYCZWULOHNQ-UHFFFAOYSA-N -1 1 287.306 3.206 20 0 CGADMM O=C(C=C(C1CC1)C1CC1)Nc1cc(F)cc(F)c1[O-] ZINC000910984453 622513148 /nfs/dbraw/zinc/51/31/48/622513148.db2.gz QDQFYUIXZUPNDA-UHFFFAOYSA-N -1 1 279.286 3.355 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1coc(C2CCC2)n1 ZINC000910995241 622514188 /nfs/dbraw/zinc/51/41/88/622514188.db2.gz XQMCJOFWTJAMHO-UHFFFAOYSA-N -1 1 294.257 3.178 20 0 CGADMM O=C([O-])c1ccc2c(c1)CN(Cc1ccsc1)CC2 ZINC000212060137 623665038 /nfs/dbraw/zinc/66/50/38/623665038.db2.gz XIWHEEILSLTLAH-UHFFFAOYSA-N -1 1 273.357 3.005 20 0 CGADMM O=C(NCCC1CCC1)c1ccc(Br)c([O-])c1 ZINC000153572117 623956278 /nfs/dbraw/zinc/95/62/78/623956278.db2.gz XBVBVCOQPBYLJF-UHFFFAOYSA-N -1 1 298.180 3.075 20 0 CGADMM CCc1cc(=O)[n-]c(SCCCC(C)(F)F)n1 ZINC000917512922 624277981 /nfs/dbraw/zinc/27/79/81/624277981.db2.gz JVFIWAIXRQIYKB-UHFFFAOYSA-N -1 1 262.325 3.272 20 0 CGADMM CCc1nc(SC[C@@H](COC)C(C)C)[n-]c(=O)c1C ZINC000917843560 624314473 /nfs/dbraw/zinc/31/44/73/624314473.db2.gz RUOCBIPPQAOPJA-LLVKDONJSA-N -1 1 284.425 3.064 20 0 CGADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(C(C)(C)C)on2)C1 ZINC000923471021 626155933 /nfs/dbraw/zinc/15/59/33/626155933.db2.gz SVXVPFNRQUXLQF-MRXNPFEDSA-N -1 1 294.395 3.049 20 0 CGADMM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c(C)o1 ZINC000756332432 626692857 /nfs/dbraw/zinc/69/28/57/626692857.db2.gz IFBPFFSKCDWQMT-CQSZACIVSA-N -1 1 293.750 3.465 20 0 CGADMM O=C(Nc1c([O-])cccc1F)C(F)(F)c1ccccc1F ZINC000766190291 627301457 /nfs/dbraw/zinc/30/14/57/627301457.db2.gz USTRXBPCHLHHKJ-UHFFFAOYSA-N -1 1 299.223 3.401 20 0 CGADMM CCOc1ccc(N(C)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000768173821 627465606 /nfs/dbraw/zinc/46/56/06/627465606.db2.gz MVQHSPARSPRILY-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM Cc1ccc([C@@H](C)C(=O)Nc2ccc(F)cc2[O-])o1 ZINC000768257662 627471091 /nfs/dbraw/zinc/47/10/91/627471091.db2.gz IMGYPJSVIYDZDN-SECBINFHSA-N -1 1 263.268 3.175 20 0 CGADMM CCOc1nc(C(=O)[N-]c2c(C)cccc2SC)co1 ZINC000774083640 627943783 /nfs/dbraw/zinc/94/37/83/627943783.db2.gz OLDURIYGRPOILI-UHFFFAOYSA-N -1 1 292.360 3.356 20 0 CGADMM CC(C)(CC(=O)[N-]Oc1ccccc1F)C(F)(F)F ZINC000874910531 634649507 /nfs/dbraw/zinc/64/95/07/634649507.db2.gz TUFZVTOKJIHNGM-UHFFFAOYSA-N -1 1 279.233 3.214 20 0 CGADMM C[C@H](OC(=O)c1cn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000805607184 628350470 /nfs/dbraw/zinc/35/04/70/628350470.db2.gz SLOYTWWBQNCJMR-LURJTMIESA-N -1 1 286.118 3.030 20 0 CGADMM O=C(OCCCc1cccc(F)c1)c1ccc([O-])cc1F ZINC000778842008 628374808 /nfs/dbraw/zinc/37/48/08/628374808.db2.gz VBKRTWSLFWQGNK-UHFFFAOYSA-N -1 1 292.281 3.460 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cccc(-c3cccnc3)c2)S1 ZINC000874927754 634653051 /nfs/dbraw/zinc/65/30/51/634653051.db2.gz GXZYUNLHWLQUDS-MDWZMJQESA-N -1 1 282.324 3.073 20 0 CGADMM CCCOc1ccc(C=C2SC(=O)[N-]C2=O)c(C)c1 ZINC000874930129 634655515 /nfs/dbraw/zinc/65/55/15/634655515.db2.gz XIXJCDXUELZKIL-XYOKQWHBSA-N -1 1 277.345 3.108 20 0 CGADMM CC(C)n1ccc(CC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000780992296 628528908 /nfs/dbraw/zinc/52/89/08/628528908.db2.gz XMJAVOMLUWFIAR-UHFFFAOYSA-N -1 1 293.754 3.004 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCCC2(CCCC2)C1 ZINC000783853160 628751192 /nfs/dbraw/zinc/75/11/92/628751192.db2.gz RTPLLYCZFGKCRD-UHFFFAOYSA-N -1 1 277.339 3.328 20 0 CGADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])c(C)s1 ZINC000790048851 629179842 /nfs/dbraw/zinc/17/98/42/629179842.db2.gz YYYJXQPCDXVQAF-UHFFFAOYSA-N -1 1 282.752 3.371 20 0 CGADMM O=C(C[C@@H]1C=CCCC1)Nc1nc(Cl)ccc1[O-] ZINC000790052509 629180441 /nfs/dbraw/zinc/18/04/41/629180441.db2.gz XTADMOIUXRHSNC-SECBINFHSA-N -1 1 266.728 3.126 20 0 CGADMM CC1(C)CN(C(=O)c2c([O-])cccc2Cl)[C@@H]1C1CC1 ZINC000793409922 629457936 /nfs/dbraw/zinc/45/79/36/629457936.db2.gz CNPZEANVMVOXKW-CYBMUJFWSA-N -1 1 279.767 3.306 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C(F)=C1CCCC1 ZINC000863009737 629460321 /nfs/dbraw/zinc/46/03/21/629460321.db2.gz JDZIWFIRIAUAPL-UHFFFAOYSA-N -1 1 253.248 3.267 20 0 CGADMM O=C(/C=C/C1CCCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863477162 629585711 /nfs/dbraw/zinc/58/57/11/629585711.db2.gz HSJUTHCSVVBJLL-BJMVGYQFSA-N -1 1 297.358 3.263 20 0 CGADMM COC(=O)c1ccc(C(=O)OC2CCCCCCC2)[n-]1 ZINC000796774109 629831405 /nfs/dbraw/zinc/83/14/05/629831405.db2.gz CYVOYPDAALWKMH-UHFFFAOYSA-N -1 1 279.336 3.071 20 0 CGADMM C[C@@H]1CC(C)(C)CN1C(=O)c1c([O-])cccc1Cl ZINC000839876299 630159010 /nfs/dbraw/zinc/15/90/10/630159010.db2.gz CUFDMRATJGMCGK-SECBINFHSA-N -1 1 267.756 3.306 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cc(C)nc(Cl)c2)n1 ZINC000840205645 630926567 /nfs/dbraw/zinc/92/65/67/630926567.db2.gz HLADFSVGZNZMHK-UHFFFAOYSA-N -1 1 295.795 3.394 20 0 CGADMM CC(C)(C)SCC(=O)Nc1ccc([O-])c(F)c1F ZINC000837087195 634852049 /nfs/dbraw/zinc/85/20/49/634852049.db2.gz LDUHYMXYMAETDV-UHFFFAOYSA-N -1 1 275.320 3.141 20 0 CGADMM C[C@H]1CC[C@H](OC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000815200208 631739735 /nfs/dbraw/zinc/73/97/35/631739735.db2.gz JGQMZZKCLMHNHA-CBAPKCEASA-N -1 1 256.248 3.016 20 0 CGADMM CC[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H](CC)O1 ZINC000817637660 632197885 /nfs/dbraw/zinc/19/78/85/632197885.db2.gz DYIPULNPLVWSQZ-QWRGUYRKSA-N -1 1 297.782 3.075 20 0 CGADMM O=C(OCC[C@H]1CC1(Cl)Cl)c1ccc([O-])cc1F ZINC000820486287 632636349 /nfs/dbraw/zinc/63/63/49/632636349.db2.gz JMBLTPNGRRVXJA-ZETCQYMHSA-N -1 1 293.121 3.272 20 0 CGADMM CC1(CCC(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000821970483 632850966 /nfs/dbraw/zinc/85/09/66/632850966.db2.gz LCTKPUFWWNRPAA-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000821980165 632851921 /nfs/dbraw/zinc/85/19/21/632851921.db2.gz JNUXNOHNRJPHQI-OWUUHHOZSA-N -1 1 281.302 3.435 20 0 CGADMM CCC[C@H](CC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000823439073 633106505 /nfs/dbraw/zinc/10/65/05/633106505.db2.gz LJWLHFGDYVWAKI-QMMMGPOBSA-N -1 1 257.280 3.435 20 0 CGADMM CCCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000866468370 633146271 /nfs/dbraw/zinc/14/62/71/633146271.db2.gz FTNYTYKUGIHLOZ-SECBINFHSA-N -1 1 295.351 3.464 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCCC12CCC2 ZINC000867839471 633272557 /nfs/dbraw/zinc/27/25/57/633272557.db2.gz BRPXMQJYRVTBIK-UHFFFAOYSA-N -1 1 279.767 3.133 20 0 CGADMM CSC1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000869646679 633491329 /nfs/dbraw/zinc/49/13/29/633491329.db2.gz XFKPVZFYNKKKLE-UHFFFAOYSA-N -1 1 285.796 3.013 20 0 CGADMM O=C(C[C@H]1CCCC1(F)F)Nc1cccc(F)c1[O-] ZINC000827448164 633491670 /nfs/dbraw/zinc/49/16/70/633491670.db2.gz PIVMLAVPBGXLPP-MRVPVSSYSA-N -1 1 273.254 3.295 20 0 CGADMM Cc1ccccc1[C@H](C)C(=O)[N-]OCCCC(F)(F)F ZINC000828335940 633606164 /nfs/dbraw/zinc/60/61/64/633606164.db2.gz JYHFOVSPWREUSX-NSHDSACASA-N -1 1 289.297 3.489 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000828850412 633660625 /nfs/dbraw/zinc/66/06/25/633660625.db2.gz MYYOWKGEKPTEPK-CLLJXQQHSA-N -1 1 293.794 3.488 20 0 CGADMM C[C@@H]1CN(C(=O)c2ncc3ccccc3c2[O-])C(C)(C)C1 ZINC000829514382 633745574 /nfs/dbraw/zinc/74/55/74/633745574.db2.gz VIAZKOVKCNIEHE-NSHDSACASA-N -1 1 284.359 3.201 20 0 CGADMM CCc1c(C(C)C)[n-]n(C[C@@H]2CCCC2(F)F)c1=O ZINC000871963694 633930946 /nfs/dbraw/zinc/93/09/46/633930946.db2.gz RNWBOXGJGSWKIP-QWRGUYRKSA-N -1 1 272.339 3.302 20 0 CGADMM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1ccc(F)cc1[O-] ZINC000831250091 633932683 /nfs/dbraw/zinc/93/26/83/633932683.db2.gz PKKOLDDHXJCUBL-SSDOTTSWSA-N -1 1 292.137 3.444 20 0 CGADMM C[C@@H](Cc1ccco1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821533 634248397 /nfs/dbraw/zinc/24/83/97/634248397.db2.gz AQDAHPDDNHHXKQ-JTQLQIEISA-N -1 1 293.750 3.134 20 0 CGADMM C/C=C(/CC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834827014 634249507 /nfs/dbraw/zinc/24/95/07/634249507.db2.gz VTPILJBEKYRQKV-KMKOMSMNSA-N -1 1 253.729 3.018 20 0 CGADMM C[C@@H]1CC/C(=C/C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000834828849 634249732 /nfs/dbraw/zinc/24/97/32/634249732.db2.gz BHBMYAYNYIFETP-UBYNWHESSA-N -1 1 279.767 3.408 20 0 CGADMM CCC[C@@H](C)CC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834829222 634250198 /nfs/dbraw/zinc/25/01/98/634250198.db2.gz OYLAVLFOZBZBEW-SNVBAGLBSA-N -1 1 269.772 3.488 20 0 CGADMM Cc1cccc2c1C(=O)N[C@@H](c1cccc([O-])c1Cl)N2 ZINC000877848635 635240386 /nfs/dbraw/zinc/24/03/86/635240386.db2.gz VMVFVKHCQPIJRI-AWEZNQCLSA-N -1 1 288.734 3.208 20 0 CGADMM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000844043850 635809060 /nfs/dbraw/zinc/80/90/60/635809060.db2.gz RYRFSUKDRWEEHM-AOOOYVTPSA-N -1 1 297.782 3.122 20 0 CGADMM CC(C)CC1(C(=O)[N-]O[C@@H]2CCCCO2)CCCC1 ZINC000131567390 636691673 /nfs/dbraw/zinc/69/16/73/636691673.db2.gz RUFQDTGXLBEROV-CYBMUJFWSA-N -1 1 269.385 3.167 20 0 CGADMM CC(C)c1ccc2nc(-c3ccc[nH]3)[n-]c(=O)c2c1 ZINC000134474092 637022909 /nfs/dbraw/zinc/02/29/09/637022909.db2.gz QRBYUWMARIZCTJ-UHFFFAOYSA-N -1 1 253.305 3.042 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CCCSC1 ZINC000885678518 637283627 /nfs/dbraw/zinc/28/36/27/637283627.db2.gz RFPDPYUJLZFPOH-ZETCQYMHSA-N -1 1 289.759 3.266 20 0 CGADMM C/C=C(/CC)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678465 637283859 /nfs/dbraw/zinc/28/38/59/637283859.db2.gz PXLYSKYTIHDQKX-CLTKARDFSA-N -1 1 257.692 3.480 20 0 CGADMM CCc1c(C(C)C)[n-]n([C@@H]2CC(C)(C)OC2(C)C)c1=O ZINC000887296800 637791294 /nfs/dbraw/zinc/79/12/94/637791294.db2.gz LQDWEYRAJSEBSS-VXGBXAGGSA-N -1 1 280.412 3.213 20 0 CGADMM COCc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111666599 637942342 /nfs/dbraw/zinc/94/23/42/637942342.db2.gz YTYAQQXRKGVONS-UHFFFAOYSA-N -1 1 291.734 3.444 20 0 CGADMM CSCCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675808 638035764 /nfs/dbraw/zinc/03/57/64/638035764.db2.gz BIMNAJBUIGFDIH-UHFFFAOYSA-N -1 1 277.748 3.266 20 0 CGADMM O=C([N-]Oc1ccccc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000854539205 638070050 /nfs/dbraw/zinc/07/00/50/638070050.db2.gz XLSAMIYCHBZHEX-GHMZBOCLSA-N -1 1 287.281 3.465 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C=C[C@]1(C)CC[C@@H](C)C1(C)C ZINC000854633211 638079177 /nfs/dbraw/zinc/07/91/77/638079177.db2.gz SIYZJLIIUAPIHY-CCKPSTLFSA-N -1 1 291.395 3.381 20 0 CGADMM O=C([N-][C@@H]1C[C@H]1c1ccccc1Cl)C(F)(F)C(F)F ZINC000855945611 638280256 /nfs/dbraw/zinc/28/02/56/638280256.db2.gz CSDMTKJXIYBNNN-IONNQARKSA-N -1 1 295.663 3.213 20 0 CGADMM CC(NC(=O)c1c([O-])cccc1Cl)(C1CC1)C1CC1 ZINC000856121479 638302426 /nfs/dbraw/zinc/30/24/26/638302426.db2.gz NIDGKWCJXNNDQW-UHFFFAOYSA-N -1 1 279.767 3.354 20 0 CGADMM CCc1nc(CNC(=O)c2cc3ccccc3cc2[O-])co1 ZINC000857526669 638514406 /nfs/dbraw/zinc/51/44/06/638514406.db2.gz DMYWOLOXNCIDHK-UHFFFAOYSA-N -1 1 296.326 3.026 20 0 CGADMM CC(C)(C)C[C@@H]1CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858373707 638696378 /nfs/dbraw/zinc/69/63/78/638696378.db2.gz OIZKJGLTOHGUCQ-VIFPVBQESA-N -1 1 269.776 3.241 20 0 CGADMM C[C@@H]1CCC[C@H](CNc2cc(Cl)[n-]c(=O)n2)[C@H]1C ZINC000858525561 638754756 /nfs/dbraw/zinc/75/47/56/638754756.db2.gz ZBVUPLPUVUWYCR-KXUCPTDWSA-N -1 1 269.776 3.320 20 0 CGADMM CC(C)C[C@@]1(C)CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858559476 638761649 /nfs/dbraw/zinc/76/16/49/638761649.db2.gz JREDWNDSPSXJNF-CYBMUJFWSA-N -1 1 269.776 3.241 20 0 CGADMM CCC[C@@H](C(=O)[N-]OCCCOC)c1cccc(Cl)c1 ZINC000861695390 639608151 /nfs/dbraw/zinc/60/81/51/639608151.db2.gz RGIMRGLIXJXXQK-CQSZACIVSA-N -1 1 299.798 3.308 20 0 CGADMM O=C([N-]Oc1ccccc1)C1CCc2ccccc2CC1 ZINC000861781470 639612923 /nfs/dbraw/zinc/61/29/23/639612923.db2.gz UOTCDAXJEZWZPZ-UHFFFAOYSA-N -1 1 281.355 3.292 20 0 CGADMM Cc1ccc(F)cc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188372280 640133089 /nfs/dbraw/zinc/13/30/89/640133089.db2.gz VVCDHIJJUYOSKQ-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM COc1ccc(O)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000188846428 640154170 /nfs/dbraw/zinc/15/41/70/640154170.db2.gz DHSVCWFUPQENAT-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM COCOc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001211642235 814924299 /nfs/dbraw/zinc/92/42/99/814924299.db2.gz TWVZNGBESITFOZ-UHFFFAOYSA-N -1 1 281.258 3.397 20 0 CGADMM CON(CC(C)(C)C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001157102894 805777974 /nfs/dbraw/zinc/77/79/74/805777974.db2.gz RDRYLAKZIBSSCM-UHFFFAOYSA-N -1 1 285.771 3.024 20 0 CGADMM [O-]c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)c(F)c1F ZINC001250912926 805796794 /nfs/dbraw/zinc/79/67/94/805796794.db2.gz QDHMAUMBXKXOPQ-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM Cc1cc2nc(-c3sccc3C(=O)[O-])[nH]c2cc1F ZINC001251012225 805827882 /nfs/dbraw/zinc/82/78/82/805827882.db2.gz XUWLAEXWMQWIOW-UHFFFAOYSA-N -1 1 276.292 3.437 20 0 CGADMM Cc1cccc2nc(-c3ccc(C(=O)[O-])s3)[nH]c21 ZINC001251014897 805830203 /nfs/dbraw/zinc/83/02/03/805830203.db2.gz KXIYLIZYZKIBCU-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001251146349 805854326 /nfs/dbraw/zinc/85/43/26/805854326.db2.gz SWCSCOGPLIWETB-UHFFFAOYSA-N -1 1 281.764 3.449 20 0 CGADMM COc1cccc2c1nc(-c1cc(Cl)ncc1[O-])n2C ZINC001251252153 805873108 /nfs/dbraw/zinc/87/31/08/805873108.db2.gz QBCVDQSDUNZUCI-UHFFFAOYSA-N -1 1 289.722 3.003 20 0 CGADMM COc1ccc2nc(-c3ccc(F)c(F)c3[O-])[nH]c2c1 ZINC001251259628 805873275 /nfs/dbraw/zinc/87/32/75/805873275.db2.gz YHFLOARKFSEEGP-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM [O-]c1ccc(F)c(F)c1-c1nc2cc3c(cc2[nH]1)CCO3 ZINC001251322463 805881660 /nfs/dbraw/zinc/88/16/60/805881660.db2.gz VBYOTBWMEQFSOK-UHFFFAOYSA-N -1 1 288.253 3.149 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ncc2C)cc1 ZINC001252101818 805995586 /nfs/dbraw/zinc/99/55/86/805995586.db2.gz BKIKPQAKOOTJEO-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM CCCCC1(NC(=O)c2c([O-])cccc2Cl)CC1 ZINC001158866651 806015304 /nfs/dbraw/zinc/01/53/04/806015304.db2.gz RRWXHDXPBYCVOR-UHFFFAOYSA-N -1 1 267.756 3.498 20 0 CGADMM CCS(=O)(=O)[N-]c1ccccc1Oc1ccc(F)cc1 ZINC001253267339 806200430 /nfs/dbraw/zinc/20/04/30/806200430.db2.gz LPMWLWJRBWZSPW-UHFFFAOYSA-N -1 1 295.335 3.380 20 0 CGADMM CCS(=O)(=O)[N-]c1cc(-c2ccccc2)cc(Cl)n1 ZINC001253290056 806202404 /nfs/dbraw/zinc/20/24/04/806202404.db2.gz IXXDQJKTWKZBEY-UHFFFAOYSA-N -1 1 296.779 3.164 20 0 CGADMM CCOc1ccc(-c2nnc(Cc3ccccc3)o2)c([O-])c1 ZINC001253489210 806227517 /nfs/dbraw/zinc/22/75/17/806227517.db2.gz MTYRVCRPRXEFQN-UHFFFAOYSA-N -1 1 296.326 3.432 20 0 CGADMM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001161141977 806351920 /nfs/dbraw/zinc/35/19/20/806351920.db2.gz JYFCURUZHFONGO-QAPCUYQASA-N -1 1 299.370 3.415 20 0 CGADMM Cc1c2ccc(F)cc2sc1C(=O)Nc1c[n-][nH]c1=O ZINC001161391431 806372291 /nfs/dbraw/zinc/37/22/91/806372291.db2.gz IFGIQZBTURBBAI-UHFFFAOYSA-N -1 1 291.307 3.030 20 0 CGADMM Cc1c(F)c(F)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC001161593084 806395506 /nfs/dbraw/zinc/39/55/06/806395506.db2.gz PHKUCILBAYNSMK-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM C=Cc1ccccc1[N-]S(=O)(=O)c1ccccc1C ZINC001254611165 806461262 /nfs/dbraw/zinc/46/12/62/806461262.db2.gz HNWJHBGOIICNGP-UHFFFAOYSA-N -1 1 273.357 3.439 20 0 CGADMM CCc1nnc(-c2ccc(C(F)(F)F)cc2[O-])o1 ZINC001255061886 806535717 /nfs/dbraw/zinc/53/57/17/806535717.db2.gz WWZNZGXHQYTCTR-UHFFFAOYSA-N -1 1 258.199 3.023 20 0 CGADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001162292643 806549713 /nfs/dbraw/zinc/54/97/13/806549713.db2.gz VLRZOFIPVJFCES-NOZJJQNGSA-N -1 1 299.317 3.204 20 0 CGADMM Cc1cc(F)ccc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001162291423 806550173 /nfs/dbraw/zinc/55/01/73/806550173.db2.gz NIMDPBMVJSQPJG-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM [O-]c1ccc(-c2nnc(C3CCC3)o2)c(Cl)c1 ZINC001255161592 806559920 /nfs/dbraw/zinc/55/99/20/806559920.db2.gz QXIJDVWIJUQJJM-UHFFFAOYSA-N -1 1 250.685 3.363 20 0 CGADMM O=c1[n-]c(-c2ccccc2)ncc1-c1nnc(C2CCC2)o1 ZINC001255226577 806580016 /nfs/dbraw/zinc/58/00/16/806580016.db2.gz XFCMEOUOLNZRKV-UHFFFAOYSA-N -1 1 294.314 3.167 20 0 CGADMM COc1cc([O-])ccc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 ZINC000011286617 798837540 /nfs/dbraw/zinc/83/75/40/798837540.db2.gz YZICIMKCWZQGEL-MDWZMJQESA-N -1 1 296.282 3.373 20 0 CGADMM CCc1ccc2nc(-c3ccccc3)[n-]c(=O)c2c1 ZINC000057772361 798900319 /nfs/dbraw/zinc/90/03/19/798900319.db2.gz OKKWLXKAGYJGCB-UHFFFAOYSA-N -1 1 250.301 3.153 20 0 CGADMM CC1(C)C(NC(=O)c2ccc(Cl)cc2[O-])C1(C)C ZINC000092819699 798958669 /nfs/dbraw/zinc/95/86/69/798958669.db2.gz VKBXXNJVZQKTAJ-UHFFFAOYSA-N -1 1 267.756 3.210 20 0 CGADMM O=C(N[C@H]1CC2CCC1CC2)c1ccc(Cl)cc1[O-] ZINC000311696210 799225546 /nfs/dbraw/zinc/22/55/46/799225546.db2.gz LDZXFEIFTHHDNN-ZPPKWKGLSA-N -1 1 279.767 3.354 20 0 CGADMM COc1c(F)ccc(F)c1-c1ccc([O-])c(F)c1 ZINC000384983408 799419737 /nfs/dbraw/zinc/41/97/37/799419737.db2.gz ZDULEAARIARGNR-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CC(C)CC1(CNC(=O)c2ccc([O-])cc2F)CC1 ZINC000392101218 799480653 /nfs/dbraw/zinc/48/06/53/799480653.db2.gz ISGLGCOSZVSRJM-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM CN(Cc1ccsc1)Cc1cc(C(=O)[O-])cs1 ZINC000711465128 800061106 /nfs/dbraw/zinc/06/11/06/800061106.db2.gz MZWKSFUYUXNUOE-UHFFFAOYSA-N -1 1 267.375 3.140 20 0 CGADMM CCC1(CC)CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000721239846 800283021 /nfs/dbraw/zinc/28/30/21/800283021.db2.gz LDQYPJPBLNJLQV-UHFFFAOYSA-N -1 1 265.328 3.326 20 0 CGADMM CCC1(CC)CCCN1C(=O)c1ccc([O-])cc1F ZINC000721238698 800283115 /nfs/dbraw/zinc/28/31/15/800283115.db2.gz DGLGNJSRZNTQFP-UHFFFAOYSA-N -1 1 265.328 3.326 20 0 CGADMM COc1c(Cl)ccc([O-])c1-c1nnc(CC(C)C)o1 ZINC001256502793 806907061 /nfs/dbraw/zinc/90/70/61/806907061.db2.gz MFVOVUUMURKTPI-UHFFFAOYSA-N -1 1 282.727 3.303 20 0 CGADMM C[C@H]1C[C@H]1c1nnc(-c2ccc([O-])cc2Cl)o1 ZINC001256625789 806929639 /nfs/dbraw/zinc/92/96/39/806929639.db2.gz NOKFEYIXHFVSKL-IMTBSYHQSA-N -1 1 250.685 3.219 20 0 CGADMM C[C@H]1C[C@@H]1c1nnc(-c2c(O)cc3ccccc3c2[O-])o1 ZINC001256632433 806933129 /nfs/dbraw/zinc/93/31/29/806933129.db2.gz FZQMVXDNDMVTSW-KWQFWETISA-N -1 1 282.299 3.424 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)[C@@H]1CC=CCC1 ZINC001116737378 802403122 /nfs/dbraw/zinc/40/31/22/802403122.db2.gz QMZMYBLUGOUNPY-SECBINFHSA-N -1 1 296.164 3.450 20 0 CGADMM O=C(C[C@H]1C=CCC1)NCc1ccc([O-])c(Cl)c1 ZINC001119113736 802632665 /nfs/dbraw/zinc/63/26/65/802632665.db2.gz AHJDQMMKESARAM-JTQLQIEISA-N -1 1 265.740 3.018 20 0 CGADMM CC[C@H](F)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC001120716801 802766632 /nfs/dbraw/zinc/76/66/32/802766632.db2.gz MLZMGKSMALHTQS-QMMMGPOBSA-N -1 1 290.132 3.150 20 0 CGADMM CCc1ncoc1C(=O)[N-]c1nnc(C(CC)CC)s1 ZINC001120789088 802778219 /nfs/dbraw/zinc/77/82/19/802778219.db2.gz IPRMRSRMJYSNNM-UHFFFAOYSA-N -1 1 294.380 3.244 20 0 CGADMM Cc1nc2ccc(-c3c([O-])cccc3Cl)nc2[nH]1 ZINC001244030934 803151037 /nfs/dbraw/zinc/15/10/37/803151037.db2.gz KSKGWMBTTPXKDZ-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM CCC(=O)NCc1cccc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244096986 803185586 /nfs/dbraw/zinc/18/55/86/803185586.db2.gz QKKCDBLXJRIZDM-UHFFFAOYSA-N -1 1 291.297 3.364 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1ncnc2cc[nH]c21 ZINC001244464518 803381081 /nfs/dbraw/zinc/38/10/81/803381081.db2.gz QPVYQUVBTRXLFG-UHFFFAOYSA-N -1 1 295.220 3.229 20 0 CGADMM Cc1cc(-c2ncccc2C(=O)N(C)C)cc(Cl)c1[O-] ZINC001244531126 803422230 /nfs/dbraw/zinc/42/22/30/803422230.db2.gz VQEXNXGRUHXGSQ-UHFFFAOYSA-N -1 1 290.750 3.118 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cc3nccnc3cn2)c1F ZINC001244538379 803425074 /nfs/dbraw/zinc/42/50/74/803425074.db2.gz KTTZBRDEUJVBHT-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM COC(=O)c1cc(F)cnc1-c1c(Cl)ccc([O-])c1F ZINC001244537472 803425930 /nfs/dbraw/zinc/42/59/30/803425930.db2.gz FMEHFYJXGFJLPM-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM COC(=O)c1ccnc(-c2c(Cl)ccc([O-])c2F)c1F ZINC001244538904 803426201 /nfs/dbraw/zinc/42/62/01/803426201.db2.gz POJFPZVKSCSNJA-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM CC(C)Cn1cc(-c2c(Cl)ccc([O-])c2F)ncc1=O ZINC001244541507 803429849 /nfs/dbraw/zinc/42/98/49/803429849.db2.gz DIKCVEZDZMFGDY-UHFFFAOYSA-N -1 1 296.729 3.064 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(C)cc(C)c3N)ccc2[n-]1 ZINC001244603603 803461987 /nfs/dbraw/zinc/46/19/87/803461987.db2.gz VGMJHMNCFZKMHR-UHFFFAOYSA-N -1 1 295.342 3.216 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(C)cc(C)c3N)cc2[n-]1 ZINC001244603603 803461991 /nfs/dbraw/zinc/46/19/91/803461991.db2.gz VGMJHMNCFZKMHR-UHFFFAOYSA-N -1 1 295.342 3.216 20 0 CGADMM Nc1ccnc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC001244998597 803608336 /nfs/dbraw/zinc/60/83/36/803608336.db2.gz HIWXHYBDKSYJCZ-UHFFFAOYSA-N -1 1 283.114 3.336 20 0 CGADMM COC(=O)c1ccc(C)c(-c2cc(Cl)ccc2[O-])n1 ZINC001245049908 803622210 /nfs/dbraw/zinc/62/22/10/803622210.db2.gz WSOKVEBSSXLOSN-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Cc1c(C(=O)[O-])cccc1-c1nccc2c1ccn2C ZINC001245295964 803693294 /nfs/dbraw/zinc/69/32/94/803693294.db2.gz BTJMSZIHZGZPIN-UHFFFAOYSA-N -1 1 266.300 3.247 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3c2CCC3)c1Cl ZINC001245827393 803982690 /nfs/dbraw/zinc/98/26/90/803982690.db2.gz OXCMHUFVEGPTOB-UHFFFAOYSA-N -1 1 264.687 3.130 20 0 CGADMM [O-]c1ccc(F)c(-c2cc(N3CCCC3)ncn2)c1Cl ZINC001245830036 803985085 /nfs/dbraw/zinc/98/50/85/803985085.db2.gz GTGVSWLMDCATLQ-UHFFFAOYSA-N -1 1 293.729 3.242 20 0 CGADMM O=C1Cc2cccc(-c3c(F)ccc([O-])c3Cl)c2N1 ZINC001245833329 803989069 /nfs/dbraw/zinc/98/90/69/803989069.db2.gz YVVRLLZJGGEXTD-UHFFFAOYSA-N -1 1 277.682 3.346 20 0 CGADMM CCc1cc(=O)n(-c2ccc(C)cc2Br)[n-]1 ZINC001245916789 804043560 /nfs/dbraw/zinc/04/35/60/804043560.db2.gz BNQATFILNRELHK-UHFFFAOYSA-N -1 1 281.153 3.211 20 0 CGADMM CCCc1cc(=O)n(-c2cccc(OC(F)(F)F)c2)[n-]1 ZINC001245924637 804053695 /nfs/dbraw/zinc/05/36/95/804053695.db2.gz LEUXOKCHRJKDOY-UHFFFAOYSA-N -1 1 286.253 3.429 20 0 CGADMM CCCCc1cc(=O)n(-c2cc(F)cc(F)c2)[n-]1 ZINC001245926826 804054535 /nfs/dbraw/zinc/05/45/35/804054535.db2.gz MLYYNEZSJCZPAM-UHFFFAOYSA-N -1 1 252.264 3.199 20 0 CGADMM Cc1cc(=O)n(-c2cc(Cl)cc(Br)c2)[n-]1 ZINC001245928342 804056924 /nfs/dbraw/zinc/05/69/24/804056924.db2.gz VJHYVIHFLNZWAX-UHFFFAOYSA-N -1 1 287.544 3.302 20 0 CGADMM CCCCCc1cc(=O)n(-c2cccc(NC(C)=O)c2)[n-]1 ZINC001245942738 804076592 /nfs/dbraw/zinc/07/65/92/804076592.db2.gz NYSVPAHEOPGUAL-UHFFFAOYSA-N -1 1 287.363 3.269 20 0 CGADMM Nc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1F ZINC001212350183 815009800 /nfs/dbraw/zinc/00/98/00/815009800.db2.gz QJWRLEBGSQUTDM-UHFFFAOYSA-N -1 1 284.294 3.043 20 0 CGADMM CN(Cc1ccccc1)Cc1ccc([O-])c(F)c1F ZINC001140890220 804541912 /nfs/dbraw/zinc/54/19/12/804541912.db2.gz ZJHBGAFMXZJTOF-UHFFFAOYSA-N -1 1 263.287 3.302 20 0 CGADMM CC[C@@H]1CCCC[N@H+]1Cc1ccc([O-])c(F)c1F ZINC001140893324 804545297 /nfs/dbraw/zinc/54/52/97/804545297.db2.gz NYFJMCFWJFSSPZ-LLVKDONJSA-N -1 1 255.308 3.435 20 0 CGADMM Cc1coc(C(=O)Nc2cccc([O-])c2Br)c1 ZINC001141222138 804613177 /nfs/dbraw/zinc/61/31/77/804613177.db2.gz MDWKJOHAWZQDJP-UHFFFAOYSA-N -1 1 296.120 3.308 20 0 CGADMM CCC[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001141827274 804671707 /nfs/dbraw/zinc/67/17/07/804671707.db2.gz BBYLVPDOZITGAN-QMMMGPOBSA-N -1 1 275.270 3.329 20 0 CGADMM CC(C)[C@H](C)N(C(=O)c1ccc(F)c([O-])c1)C1CC1 ZINC001142135065 804698202 /nfs/dbraw/zinc/69/82/02/804698202.db2.gz IAXXVOCOIUEEJR-JTQLQIEISA-N -1 1 265.328 3.180 20 0 CGADMM Nc1cccc(C(=S)Nc2cc(F)cc(F)c2[O-])c1 ZINC001212489584 815038860 /nfs/dbraw/zinc/03/88/60/815038860.db2.gz STQJPVAXPOTCSJ-UHFFFAOYSA-N -1 1 280.299 3.040 20 0 CGADMM C[C@H]1CC[C@@H](CNC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001248400043 804928659 /nfs/dbraw/zinc/92/86/59/804928659.db2.gz YFJYPEWRQANJFY-WDEREUQCSA-N -1 1 296.798 3.281 20 0 CGADMM CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCCCO1 ZINC001144101045 804935735 /nfs/dbraw/zinc/93/57/35/804935735.db2.gz MESTZKBXPNNKFS-JSGCOSHPSA-N -1 1 297.782 3.123 20 0 CGADMM COc1ccc(CN(C)Cc2c(F)cc([O-])cc2F)cc1 ZINC001144544833 805001598 /nfs/dbraw/zinc/00/15/98/805001598.db2.gz IZMZBIPMOIEKBT-UHFFFAOYSA-N -1 1 293.313 3.311 20 0 CGADMM C[C@@]1(F)CCCCN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144542171 805002189 /nfs/dbraw/zinc/00/21/89/805002189.db2.gz QRCARUGYYJJDGS-CQSZACIVSA-N -1 1 273.298 3.385 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1 ZINC001146813361 805092690 /nfs/dbraw/zinc/09/26/90/805092690.db2.gz MIYAOKLJLISPAA-IFUGULHKSA-N -1 1 289.375 3.068 20 0 CGADMM C[C@@H]1CCCCN(C(=O)c2ccc3cccnc3c2[O-])C1 ZINC001149320257 805227974 /nfs/dbraw/zinc/22/79/74/805227974.db2.gz VYNXJSNWYJWUOO-GFCCVEGCSA-N -1 1 284.359 3.203 20 0 CGADMM CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc([O-])cn1 ZINC001150743592 805266282 /nfs/dbraw/zinc/26/62/82/805266282.db2.gz KVQVLACQDOLZJO-ZDUSSCGKSA-N -1 1 276.380 3.218 20 0 CGADMM CC(C)c1ccc(C[C@@H](C)NC(=O)c2ccc([O-])cn2)cc1 ZINC001151005675 805278011 /nfs/dbraw/zinc/27/80/11/805278011.db2.gz SACKWYWEGINIIW-CYBMUJFWSA-N -1 1 298.386 3.272 20 0 CGADMM O=Cc1c[nH]c2cc(C(=O)Nc3cccc([O-])c3F)ccc12 ZINC001151092768 805281664 /nfs/dbraw/zinc/28/16/64/805281664.db2.gz NIKAUPZNZSIOSR-UHFFFAOYSA-N -1 1 298.273 3.077 20 0 CGADMM CC1(C)CN(C(=O)c2cccc([O-])c2F)[C@H]1c1ccco1 ZINC001151111950 805282781 /nfs/dbraw/zinc/28/27/81/805282781.db2.gz UWJFOVQIVNIKGC-AWEZNQCLSA-N -1 1 289.306 3.348 20 0 CGADMM O=Cc1ccc(F)c(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC001151583118 805298588 /nfs/dbraw/zinc/29/85/88/805298588.db2.gz SHRYVRHFLGNWDB-UHFFFAOYSA-N -1 1 293.681 3.250 20 0 CGADMM CCC(CC)[C@@H](CCNC(=O)c1cc(F)ccc1[O-])OC ZINC001151694313 805308622 /nfs/dbraw/zinc/30/86/22/805308622.db2.gz FDTWIAUBHVHIFS-OAHLLOKOSA-N -1 1 297.370 3.102 20 0 CGADMM Cc1cccc(C)c1NC(=O)Cc1cc(F)c([O-])cc1F ZINC001250008091 805364032 /nfs/dbraw/zinc/36/40/32/805364032.db2.gz SAQHHABFSKZCCO-UHFFFAOYSA-N -1 1 291.297 3.468 20 0 CGADMM Cc1nccnc1Nc1cc(Cl)c([O-])cc1F ZINC001250020796 805372310 /nfs/dbraw/zinc/37/23/10/805372310.db2.gz RODDLBGCDUUBRU-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM Cc1c[nH]c(=O)cc1NC(=O)c1c([O-])ccc2ccccc21 ZINC001153499373 805399417 /nfs/dbraw/zinc/39/94/17/805399417.db2.gz UEEGMEWVHLDYJQ-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM COC[C@H]1CCCCN1C(=O)c1c([O-])ccc2ccccc21 ZINC001153499578 805399821 /nfs/dbraw/zinc/39/98/21/805399821.db2.gz YGLJPFSNOIUYJI-CQSZACIVSA-N -1 1 299.370 3.187 20 0 CGADMM CC(C)(C)n1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cn1 ZINC001212574433 815074683 /nfs/dbraw/zinc/07/46/83/815074683.db2.gz FRKBKFGUQXGXFC-UHFFFAOYSA-N -1 1 297.362 3.273 20 0 CGADMM CCc1nc(C)c(NC(=O)c2cccc([O-])c2F)s1 ZINC001154922029 805509495 /nfs/dbraw/zinc/50/94/95/805509495.db2.gz HEFHGQSKWIYTMA-UHFFFAOYSA-N -1 1 280.324 3.111 20 0 CGADMM C[C@H]1CCCC[C@@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001165807532 807019553 /nfs/dbraw/zinc/01/95/53/807019553.db2.gz NFXGZHUYZAOSJP-GWCFXTLKSA-N -1 1 251.301 3.062 20 0 CGADMM CC(C)Oc1c(F)cc(F)c([N-]c2cnns2)c1F ZINC001212642804 815093125 /nfs/dbraw/zinc/09/31/25/815093125.db2.gz ICVALJHPLBPDOH-UHFFFAOYSA-N -1 1 289.282 3.486 20 0 CGADMM FC(F)(F)c1c[n-]c(-c2nnc(C3CCCC3)o2)n1 ZINC001257558561 807197426 /nfs/dbraw/zinc/19/74/26/807197426.db2.gz AZPHCQWGJHKTSB-UHFFFAOYSA-N -1 1 272.230 3.136 20 0 CGADMM FC(F)(F)c1cnc(-c2nnc(C3CCCC3)o2)[n-]1 ZINC001257558561 807197427 /nfs/dbraw/zinc/19/74/27/807197427.db2.gz AZPHCQWGJHKTSB-UHFFFAOYSA-N -1 1 272.230 3.136 20 0 CGADMM [O-]c1cnccc1-c1nnc(CCCc2ccccc2)o1 ZINC001257791176 807220360 /nfs/dbraw/zinc/22/03/60/807220360.db2.gz HOXIIZKDDUBZHI-UHFFFAOYSA-N -1 1 281.315 3.013 20 0 CGADMM Cc1cc(CO)cc(Nc2cc(F)c([O-])cc2F)c1 ZINC001212757688 815128835 /nfs/dbraw/zinc/12/88/35/815128835.db2.gz GCAPRPIIDWBVAI-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM O=c1cccc(Nc2ccc(F)c(Br)c2[O-])[nH]1 ZINC001212793114 815140066 /nfs/dbraw/zinc/14/00/66/815140066.db2.gz GYJNHOJQQFZMLB-UHFFFAOYSA-N -1 1 299.099 3.138 20 0 CGADMM O=S(=O)([N-][C@@H](CC1CCC1)c1ccccc1)C(F)F ZINC001259964313 807694846 /nfs/dbraw/zinc/69/48/46/807694846.db2.gz LTPOTYBPWDWMGO-LBPRGKRZSA-N -1 1 289.347 3.060 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC001260723116 807699086 /nfs/dbraw/zinc/69/90/86/807699086.db2.gz BQAKLJJRUMHSOV-GFCCVEGCSA-N -1 1 290.388 3.289 20 0 CGADMM C[C@@H](OC1CCCCC1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001261089099 807710987 /nfs/dbraw/zinc/71/09/87/807710987.db2.gz DIKSOXWUNUWNCM-SECBINFHSA-N -1 1 298.770 3.117 20 0 CGADMM COCOc1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001212901199 815181695 /nfs/dbraw/zinc/18/16/95/815181695.db2.gz URUMITSTXSGPQE-UHFFFAOYSA-N -1 1 281.258 3.397 20 0 CGADMM CC1CCC(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)CC1 ZINC001213209198 815254387 /nfs/dbraw/zinc/25/43/87/815254387.db2.gz YCYLSNPWOVSAQK-UHFFFAOYSA-N -1 1 297.411 3.166 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cnn([C@@H]2CCCCO2)c1 ZINC001174599720 809098024 /nfs/dbraw/zinc/09/80/24/809098024.db2.gz ZLQAQDPSIALBGF-NSHDSACASA-N -1 1 294.742 3.080 20 0 CGADMM O=c1ccn(-c2ccc(Nc3ccc4c(c3)OCO4)cc2)[n-]1 ZINC001174869040 809184001 /nfs/dbraw/zinc/18/40/01/809184001.db2.gz OROIIWPDOMOEPP-UHFFFAOYSA-N -1 1 295.298 3.050 20 0 CGADMM COc1cc(F)cc(Nc2ccnc(Cl)c2[O-])c1 ZINC001175010055 809237531 /nfs/dbraw/zinc/23/75/31/809237531.db2.gz VJIGEWKJZXXALS-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM CCOc1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001175090360 809265012 /nfs/dbraw/zinc/26/50/12/809265012.db2.gz CMILEAREWBIJBZ-UHFFFAOYSA-N -1 1 271.276 3.472 20 0 CGADMM FC(F)(F)c1csc([N-]c2cncs2)n1 ZINC001175495493 809429970 /nfs/dbraw/zinc/42/99/70/809429970.db2.gz HYQFXEIYOPLBKN-UHFFFAOYSA-N -1 1 251.258 3.362 20 0 CGADMM Cc1ccc(N(C)C(=O)c2cccc([O-])c2F)cc1C ZINC001292410493 809431272 /nfs/dbraw/zinc/43/12/72/809431272.db2.gz LDULWUMUDXKGKI-UHFFFAOYSA-N -1 1 273.307 3.425 20 0 CGADMM CCCCN(C(=O)C(=O)c1ccc([O-])cc1)[C@H](C)CC ZINC001292906050 809440444 /nfs/dbraw/zinc/44/04/44/809440444.db2.gz XHEQKRKVKYHKQR-GFCCVEGCSA-N -1 1 277.364 3.002 20 0 CGADMM Cc1cnc(C(=O)NCc2ccc3ccccc3c2)c([O-])c1 ZINC001294166138 809463104 /nfs/dbraw/zinc/46/31/04/809463104.db2.gz GJBYAANCVIBKEE-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM C[C@H](Cc1ccsc1)N(C)C(=O)c1cccc([O-])c1F ZINC001294339755 809466987 /nfs/dbraw/zinc/46/69/87/809466987.db2.gz WXUJYKYBYZVEAM-SNVBAGLBSA-N -1 1 293.363 3.296 20 0 CGADMM Cn1cc2cc(Nc3c([O-])cc(F)cc3F)ccc2n1 ZINC001175619797 809477300 /nfs/dbraw/zinc/47/73/00/809477300.db2.gz LQBPPDKPFNMYJW-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM C/C=C/C=C/C(=O)Nc1cccc([O-])c1Br ZINC001298219754 809531032 /nfs/dbraw/zinc/53/10/32/809531032.db2.gz KZVRHOAJWIDOTG-CRBCFSCISA-N -1 1 282.137 3.226 20 0 CGADMM CCO[C@@H](C(=O)Nc1c([O-])cccc1F)c1ccccc1 ZINC001300487447 809569662 /nfs/dbraw/zinc/56/96/62/809569662.db2.gz CFCILDJXCAXYLB-OAHLLOKOSA-N -1 1 289.306 3.248 20 0 CGADMM C[C@@H]1CC(CNC(=O)c2ccc(F)c([O-])c2)C[C@@H](C)C1 ZINC001300539612 809570573 /nfs/dbraw/zinc/57/05/73/809570573.db2.gz BBZRZXSXFUMJDU-QWRGUYRKSA-N -1 1 279.355 3.333 20 0 CGADMM Cn1nc(C2CC2)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176662743 809737014 /nfs/dbraw/zinc/73/70/14/809737014.db2.gz VXRYLNDTHBCRSN-UHFFFAOYSA-N -1 1 283.253 3.164 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cc(F)nc(F)c2F)c1F ZINC001176663351 809737261 /nfs/dbraw/zinc/73/72/61/809737261.db2.gz GDZOMHDYMKRDDQ-UHFFFAOYSA-N -1 1 294.154 3.365 20 0 CGADMM Nc1cc2ccccc2n1-c1c(F)cc(F)c([O-])c1F ZINC001176664249 809738356 /nfs/dbraw/zinc/73/83/56/809738356.db2.gz OFZNDWKODIEVBN-UHFFFAOYSA-N -1 1 278.233 3.336 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc3c(c2)OCC3)c1F ZINC001176670836 809739757 /nfs/dbraw/zinc/73/97/57/809739757.db2.gz MWDZBGXEJHOLOC-UHFFFAOYSA-N -1 1 281.233 3.488 20 0 CGADMM CCCc1nc(C(=O)Nc2cc(F)c([O-])cc2Cl)co1 ZINC001179660561 809935630 /nfs/dbraw/zinc/93/56/30/809935630.db2.gz WRFFWRMTCGSSIV-UHFFFAOYSA-N -1 1 298.701 3.378 20 0 CGADMM CSC[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001183213309 810140383 /nfs/dbraw/zinc/14/03/83/810140383.db2.gz COOPJIAHFOXHMV-SSDOTTSWSA-N -1 1 293.310 3.349 20 0 CGADMM O=C(NCc1ccc(F)cc1)Nc1cc(F)c([O-])cc1F ZINC001185474011 810267517 /nfs/dbraw/zinc/26/75/17/810267517.db2.gz IEJGEJRTJYMVAF-UHFFFAOYSA-N -1 1 296.248 3.131 20 0 CGADMM O=C(Nc1cccc2[nH]c(=O)ccc12)c1ccc([O-])c(F)c1 ZINC001186225899 810321061 /nfs/dbraw/zinc/32/10/61/810321061.db2.gz HEPVPJFEGVXNHS-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM O=C(NCc1ccccc1C1CC1)c1ccc([O-])c(F)c1 ZINC001186236990 810323209 /nfs/dbraw/zinc/32/32/09/810323209.db2.gz MWSJGLMFOGRDEP-UHFFFAOYSA-N -1 1 285.318 3.339 20 0 CGADMM Cc1cccc(C2(NC(=O)c3ccc([O-])cc3F)CC2)c1 ZINC001186349126 810330890 /nfs/dbraw/zinc/33/08/90/810330890.db2.gz XUCHGCSMOFIOCJ-UHFFFAOYSA-N -1 1 285.318 3.259 20 0 CGADMM O=C(Nc1ccc2[nH]ccc2c1)c1ncc(C(F)(F)F)[n-]1 ZINC001188277706 810472594 /nfs/dbraw/zinc/47/25/94/810472594.db2.gz KMBMFQZJVVDXSD-UHFFFAOYSA-N -1 1 294.236 3.162 20 0 CGADMM CC(C)[C@H](NC(=O)c1ccncc1[O-])c1ccc(F)cc1 ZINC001188637843 810497118 /nfs/dbraw/zinc/49/71/18/810497118.db2.gz HPSZEBUTFSWESE-HNNXBMFYSA-N -1 1 288.322 3.053 20 0 CGADMM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1ccoc1 ZINC001191872102 810754209 /nfs/dbraw/zinc/75/42/09/810754209.db2.gz ATAINRLSOWHRBY-UHFFFAOYSA-N -1 1 289.715 3.014 20 0 CGADMM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001192449414 810799137 /nfs/dbraw/zinc/79/91/37/810799137.db2.gz IVBRXTQGWQXCEI-SECBINFHSA-N -1 1 291.363 3.068 20 0 CGADMM O=C(Nc1cc(O)cc(Cl)c1)c1cc([O-])cc(F)c1F ZINC001192670065 810815133 /nfs/dbraw/zinc/81/51/33/810815133.db2.gz DGHCJBNHYQPYNH-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM Cc1ccc(O)cc1Nc1ccc(F)c(F)c1[O-] ZINC001214352505 815400239 /nfs/dbraw/zinc/40/02/39/815400239.db2.gz JJTZSEYAHCGJGO-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])OC1CCCCC1 ZINC001193629645 810922662 /nfs/dbraw/zinc/92/26/62/810922662.db2.gz RKQIJRXBDBLNEA-UHFFFAOYSA-N -1 1 253.273 3.413 20 0 CGADMM [O-]c1c(F)cc(Nc2ccnc3cccnc32)cc1Cl ZINC001214482640 815416649 /nfs/dbraw/zinc/41/66/49/815416649.db2.gz GHQQNKSVVLQOSD-UHFFFAOYSA-N -1 1 289.697 3.293 20 0 CGADMM Cn1ncc2cc(Nc3cc(F)c([O-])c(Cl)c3)cnc21 ZINC001214482898 815416658 /nfs/dbraw/zinc/41/66/58/815416658.db2.gz UIOIPVJVCFBYTJ-UHFFFAOYSA-N -1 1 292.701 3.210 20 0 CGADMM [O-]c1c(F)cc(Nc2ccccc2CO)cc1Cl ZINC001214486445 815416688 /nfs/dbraw/zinc/41/66/88/815416688.db2.gz IIJMCUVTIXNMLN-UHFFFAOYSA-N -1 1 267.687 3.421 20 0 CGADMM COc1c(C)ccc(F)c1Nc1ncc(F)cc1[O-] ZINC001214530259 815420315 /nfs/dbraw/zinc/42/03/15/815420315.db2.gz YCBXUZUXWXPZNF-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM Cn1cnc([N-]c2c(F)cc(Cl)cc2Cl)n1 ZINC001214547847 815421115 /nfs/dbraw/zinc/42/11/15/815421115.db2.gz PFPFZCLUUSWYAI-UHFFFAOYSA-N -1 1 261.087 3.005 20 0 CGADMM CC[C@@H](C)COC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001194766850 811129128 /nfs/dbraw/zinc/12/91/28/811129128.db2.gz STFGXWDELMMKND-SECBINFHSA-N -1 1 291.303 3.093 20 0 CGADMM CC[C@@H](C)COC(=O)Nc1c(F)cc([O-])cc1F ZINC001194803685 811139690 /nfs/dbraw/zinc/13/96/90/811139690.db2.gz GAGJZVAGGUTWAU-SSDOTTSWSA-N -1 1 259.252 3.265 20 0 CGADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1cc(Cl)cs1 ZINC001195048785 811191371 /nfs/dbraw/zinc/19/13/71/811191371.db2.gz SSPRTTYOEQVYGU-UHFFFAOYSA-N -1 1 297.905 3.481 20 0 CGADMM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCCCC2)n1 ZINC001195322458 811242740 /nfs/dbraw/zinc/24/27/40/811242740.db2.gz BTSAVXFGYBKSCC-CQSZACIVSA-N -1 1 288.391 3.281 20 0 CGADMM Cc1cc(CO)ccc1Nc1cc(F)c([O-])cc1F ZINC001214668669 815440696 /nfs/dbraw/zinc/44/06/96/815440696.db2.gz ATWXSHJQCFMYMN-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM Cc1nc(-c2ccsc2C(=O)[O-])cc2[nH]ccc21 ZINC001205547729 813002095 /nfs/dbraw/zinc/00/20/95/813002095.db2.gz QJZYNEZLPYPYGY-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM CC(C)Cn1cc(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001205881847 813118757 /nfs/dbraw/zinc/11/87/57/813118757.db2.gz BKGBWXDAPRZPKW-UHFFFAOYSA-N -1 1 267.279 3.267 20 0 CGADMM c1nn2cccnc2c1[N-]c1cc(C2CCCC2)no1 ZINC001205945543 813143310 /nfs/dbraw/zinc/14/33/10/813143310.db2.gz FTVDZTXAHULRHA-UHFFFAOYSA-N -1 1 269.308 3.119 20 0 CGADMM O=C([O-])c1cc(-c2cccc3nc[nH]c32)cc(F)c1F ZINC001206025405 813169888 /nfs/dbraw/zinc/16/98/88/813169888.db2.gz PRXPBDHOJSYQSX-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM Cc1cc(Nc2ccc(F)c(F)c2[O-])ccc1O ZINC001209978521 814228863 /nfs/dbraw/zinc/22/88/63/814228863.db2.gz AWFCYSZICMYRKQ-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM COc1ccc(C(C)=O)cc1Nc1ncc(Cl)cc1[O-] ZINC001210076352 814276182 /nfs/dbraw/zinc/27/61/82/814276182.db2.gz XAVLAAHAGSHZRP-UHFFFAOYSA-N -1 1 292.722 3.395 20 0 CGADMM CSc1nc(Nc2ccc(OC(F)F)cc2)cc(=O)[n-]1 ZINC001210326475 814408767 /nfs/dbraw/zinc/40/87/67/814408767.db2.gz QUZJCIGCFDDWKL-UHFFFAOYSA-N -1 1 299.302 3.249 20 0 CGADMM COc1ncc(Cl)cc1Nc1ccc(F)c(F)c1[O-] ZINC001210453213 814464504 /nfs/dbraw/zinc/46/45/04/814464504.db2.gz NBKOYAFXNXKTOA-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM C[C@@H](O)c1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001210510397 814499400 /nfs/dbraw/zinc/49/94/00/814499400.db2.gz BIKWXYVLBIUPPV-MRVPVSSYSA-N -1 1 265.259 3.467 20 0 CGADMM C[C@@H](O)c1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001210509715 814499554 /nfs/dbraw/zinc/49/95/54/814499554.db2.gz ZMABYPXWBZAHIF-SNVBAGLBSA-N -1 1 297.310 3.296 20 0 CGADMM C[C@@H](O)c1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001210513658 814501064 /nfs/dbraw/zinc/50/10/64/814501064.db2.gz BAMCJQWBRABDJK-MRVPVSSYSA-N -1 1 265.259 3.467 20 0 CGADMM O=c1ccn(-c2ccc(Nc3ccc4ocnc4c3)cc2)[n-]1 ZINC001210575994 814536927 /nfs/dbraw/zinc/53/69/27/814536927.db2.gz JJNUNOFQPZXZTB-UHFFFAOYSA-N -1 1 292.298 3.463 20 0 CGADMM C[C@@H](O)c1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001210644731 814568536 /nfs/dbraw/zinc/56/85/36/814568536.db2.gz ODPVZEXUZOHHAF-MRVPVSSYSA-N -1 1 264.712 3.238 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cnc(C(F)(F)F)nc1 ZINC001210674884 814580547 /nfs/dbraw/zinc/58/05/47/814580547.db2.gz PQMFHFIXAPUADB-UHFFFAOYSA-N -1 1 291.179 3.223 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccnc(OC2CC2)c1 ZINC001210751950 814611698 /nfs/dbraw/zinc/61/16/98/814611698.db2.gz ODKXTGWAMXFJQV-UHFFFAOYSA-N -1 1 278.258 3.350 20 0 CGADMM CCc1ncnc(-c2cccc([O-])c2Cl)c1F ZINC001242797381 823135292 /nfs/dbraw/zinc/13/52/92/823135292.db2.gz HJVZEYNSPWYOPY-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM CC(C)Oc1cc([N-]c2nnc(C(C)(C)C)o2)ccn1 ZINC001215765296 815581469 /nfs/dbraw/zinc/58/14/69/815581469.db2.gz SIWJLXNDSIJEAV-UHFFFAOYSA-N -1 1 276.340 3.293 20 0 CGADMM [O-]c1cccc(-c2cnc(OCC3CC3)nc2)c1Cl ZINC001242801969 823137428 /nfs/dbraw/zinc/13/74/28/823137428.db2.gz JTQKGZQMIUVQGN-UHFFFAOYSA-N -1 1 276.723 3.291 20 0 CGADMM Cc1c(C(N)=O)cccc1-c1cccc([O-])c1Cl ZINC001242801279 823137484 /nfs/dbraw/zinc/13/74/84/823137484.db2.gz WKAOGWOJBKFRBC-UHFFFAOYSA-N -1 1 261.708 3.120 20 0 CGADMM CCc1nnc2ccc(-c3cccc([O-])c3Cl)cn21 ZINC001242800742 823137514 /nfs/dbraw/zinc/13/75/14/823137514.db2.gz NBYFRQGLCOGSNW-UHFFFAOYSA-N -1 1 273.723 3.318 20 0 CGADMM CN1C(=O)NCc2cccc(-c3cccc([O-])c3Cl)c21 ZINC001242802014 823137652 /nfs/dbraw/zinc/13/76/52/823137652.db2.gz MLHXVALRPGLHNH-UHFFFAOYSA-N -1 1 288.734 3.372 20 0 CGADMM [O-]c1cccc(-c2ccc(-n3nccn3)cc2)c1Cl ZINC001242802229 823137923 /nfs/dbraw/zinc/13/79/23/823137923.db2.gz BOMOXUUTVMILGB-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3cnncc3c2)cc1F ZINC001211339382 814881771 /nfs/dbraw/zinc/88/17/71/814881771.db2.gz NZWZKJSNBMNRCS-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(F)c(-c2ccccc2C2OCCO2)cc1F ZINC001211349344 814883659 /nfs/dbraw/zinc/88/36/59/814883659.db2.gz DTOPYLUDHUSRNQ-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM Cc1ccc(S(C)(=O)=O)cc1-c1cc(F)c([O-])cc1F ZINC001211352622 814884546 /nfs/dbraw/zinc/88/45/46/814884546.db2.gz NMFJSNVIMQJDFT-UHFFFAOYSA-N -1 1 298.310 3.049 20 0 CGADMM O=C1Nc2cccc(-c3cc(F)c([O-])cc3F)c2C12CC2 ZINC001211359193 814885645 /nfs/dbraw/zinc/88/56/45/814885645.db2.gz DARWZROKYKZSNY-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM CC(=O)c1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC001215826296 815606101 /nfs/dbraw/zinc/60/61/01/815606101.db2.gz IYIUVWCKBLXSMF-UHFFFAOYSA-N -1 1 298.273 3.451 20 0 CGADMM Nc1c(F)c(F)c(F)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001216009178 815659355 /nfs/dbraw/zinc/65/93/55/815659355.db2.gz FFOWJTHXYFGAHF-UHFFFAOYSA-N -1 1 290.191 3.414 20 0 CGADMM CSc1nc(Nc2cc(C)c(O)c(Cl)c2)cc(=O)[n-]1 ZINC001216084361 815687813 /nfs/dbraw/zinc/68/78/13/815687813.db2.gz SBKFZBYCTOQXBT-UHFFFAOYSA-N -1 1 297.767 3.315 20 0 CGADMM CSc1nc(Nc2cnc(Cl)cc2C)cc(=O)[n-]1 ZINC001216278342 815765677 /nfs/dbraw/zinc/76/56/77/815765677.db2.gz OHZWWOIOKTZHLH-UHFFFAOYSA-N -1 1 282.756 3.005 20 0 CGADMM COCn1cc(Nc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001216575833 815862287 /nfs/dbraw/zinc/86/22/87/815862287.db2.gz YHCZRMGSPGZNFP-UHFFFAOYSA-N -1 1 288.134 3.243 20 0 CGADMM Cc1cnccc1-c1noc(-c2c(F)ccc([O-])c2F)n1 ZINC001216920735 815901376 /nfs/dbraw/zinc/90/13/76/815901376.db2.gz VFOYUASIHKPIOT-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM COc1ccnc2cc(-c3cc(F)c([O-])cc3F)cnc21 ZINC001222083107 816343066 /nfs/dbraw/zinc/34/30/66/816343066.db2.gz OFGYXKCGYDFBPX-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM C[C@H](OCCCC[P@](=O)([O-])O)c1ccc(F)c(F)c1 ZINC001225019085 816934850 /nfs/dbraw/zinc/93/48/50/816934850.db2.gz QUWAKCVDBATFDH-VIFPVBQESA-N -1 1 294.234 3.000 20 0 CGADMM Cc1ccc(OC(C)C)c(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001243093574 823243610 /nfs/dbraw/zinc/24/36/10/823243610.db2.gz XLPRYFZLNFGVJA-UHFFFAOYSA-N -1 1 295.346 3.024 20 0 CGADMM Cc1ccc(OC(C)C)c(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001243093574 823243617 /nfs/dbraw/zinc/24/36/17/823243617.db2.gz XLPRYFZLNFGVJA-UHFFFAOYSA-N -1 1 295.346 3.024 20 0 CGADMM CC(=O)c1c[n-]c(=O)nc1O[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001226238705 817306600 /nfs/dbraw/zinc/30/66/00/817306600.db2.gz XNPXVYPOLKQYBW-FRRDWIJNSA-N -1 1 290.363 3.123 20 0 CGADMM Cc1cnc(F)c([C@@H](C)Oc2[n-]c(=O)nc(C)c2Cl)c1 ZINC001227113744 817562173 /nfs/dbraw/zinc/56/21/73/817562173.db2.gz VRWHOWXVJLMYLC-MRVPVSSYSA-N -1 1 297.717 3.127 20 0 CGADMM COC[C@H](C)Oc1cc(Cl)c([O-])cc1Cl ZINC001227641359 817686103 /nfs/dbraw/zinc/68/61/03/817686103.db2.gz MUKWUCJNWFSGQP-LURJTMIESA-N -1 1 251.109 3.113 20 0 CGADMM CC[C@@H](Oc1cc(Cl)c([O-])cc1Cl)C(=O)OC ZINC001227645840 817687391 /nfs/dbraw/zinc/68/73/91/817687391.db2.gz LZIPVGYWJRJZGD-SECBINFHSA-N -1 1 279.119 3.029 20 0 CGADMM C[C@@H](Oc1[n-]c(=O)nc2c1COC2)c1cccc(Cl)c1 ZINC001227686327 817693490 /nfs/dbraw/zinc/69/34/90/817693490.db2.gz MFPVTIJTODFQCY-MRVPVSSYSA-N -1 1 292.722 3.006 20 0 CGADMM S=c1nc2cnccc2c(O[C@H]2C[C@H]3C=C[C@@H]2C3)[n-]1 ZINC001227882727 817742163 /nfs/dbraw/zinc/74/21/63/817742163.db2.gz ZWOSRTVHJSNPKF-SBMIAAHKSA-N -1 1 271.345 3.031 20 0 CGADMM Cc1cc(-c2cc3[nH]ccc3cn2)ccc1C(=O)[O-] ZINC001243211861 823293716 /nfs/dbraw/zinc/29/37/16/823293716.db2.gz UKSSQIOIPODOIQ-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)C1CCC1 ZINC001228560009 817939473 /nfs/dbraw/zinc/93/94/73/817939473.db2.gz IVQMYZRYZKBMEL-SECBINFHSA-N -1 1 264.321 3.258 20 0 CGADMM FC1(F)CC[C@H](Oc2[n-]c(=S)nc3ccccc32)C1 ZINC001228763633 818001514 /nfs/dbraw/zinc/00/15/14/818001514.db2.gz CLVYURCUUHLDQJ-QMMMGPOBSA-N -1 1 282.315 3.485 20 0 CGADMM Cc1ccc2c(c1)CCN(Cc1ccc(C(=O)[O-])s1)C2 ZINC001231465091 818103893 /nfs/dbraw/zinc/10/38/93/818103893.db2.gz BPXIDPXRYZXVOT-UHFFFAOYSA-N -1 1 287.384 3.313 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cc(N)ccc3F)cc2[n-]1 ZINC001243286271 823327614 /nfs/dbraw/zinc/32/76/14/823327614.db2.gz PGZZIQOREGVPKN-UHFFFAOYSA-N -1 1 299.305 3.128 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cc(N)ccc3F)ccc2[n-]1 ZINC001243286271 823327620 /nfs/dbraw/zinc/32/76/20/823327620.db2.gz PGZZIQOREGVPKN-UHFFFAOYSA-N -1 1 299.305 3.128 20 0 CGADMM O=C1CCN(Cc2cccc([O-])c2Cl)[C@@H]2CCCC[C@@H]12 ZINC001232784419 818438981 /nfs/dbraw/zinc/43/89/81/818438981.db2.gz MEHGASYCCUZWDG-CHWSQXEVSA-N -1 1 293.794 3.379 20 0 CGADMM [O-]c1cccc(CN2CCC[C@H]2c2cnccn2)c1Cl ZINC001232788347 818441901 /nfs/dbraw/zinc/44/19/01/818441901.db2.gz OUNYFWFTOWCQCQ-ZDUSSCGKSA-N -1 1 289.766 3.173 20 0 CGADMM [O-]c1c(F)ccc(CN2CCOC3(CCCCC3)C2)c1F ZINC001232937481 818478205 /nfs/dbraw/zinc/47/82/05/818478205.db2.gz OTTSAAKAAWXFNG-UHFFFAOYSA-N -1 1 297.345 3.206 20 0 CGADMM [O-]c1cc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)cc(F)c1F ZINC001232971065 818487890 /nfs/dbraw/zinc/48/78/90/818487890.db2.gz SMBRDVZSERRJOQ-AOOOYVTPSA-N -1 1 289.272 3.148 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1Cc2ccc(F)cc2C1 ZINC001233035157 818505903 /nfs/dbraw/zinc/50/59/03/818505903.db2.gz YOEYYXLFMNMTKV-UHFFFAOYSA-N -1 1 278.714 3.096 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CC[C@H](F)C(F)(F)CC1 ZINC001233032584 818506073 /nfs/dbraw/zinc/50/60/73/818506073.db2.gz MFKWBFMRTDHNBN-JTQLQIEISA-N -1 1 294.704 3.010 20 0 CGADMM COC(=N)c1cccc(-c2ccc([O-])c(F)c2F)c1 ZINC001243341639 823355177 /nfs/dbraw/zinc/35/51/77/823355177.db2.gz WHENGJDCLPWPOE-UHFFFAOYSA-N -1 1 263.243 3.309 20 0 CGADMM COC(=O)[C@@H](C)c1ccc(-c2ccc([O-])c(F)c2F)nc1 ZINC001243339974 823354312 /nfs/dbraw/zinc/35/43/12/823354312.db2.gz UYAMZVCYXQNEFB-QMMMGPOBSA-N -1 1 293.269 3.009 20 0 CGADMM COc1cc(F)ccc1-c1ccc([O-])c(F)c1F ZINC001243341873 823355100 /nfs/dbraw/zinc/35/51/00/823355100.db2.gz FOZDBQKSMUCHAJ-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COc1ccc(-c2ccc([O-])c(F)c2F)cc1NC(C)=O ZINC001243341638 823355800 /nfs/dbraw/zinc/35/58/00/823355800.db2.gz WCYLZGGXVQFANW-UHFFFAOYSA-N -1 1 293.269 3.304 20 0 CGADMM CCOc1ncc(-c2ccc([O-])c(F)c2F)cc1OC ZINC001243343665 823358433 /nfs/dbraw/zinc/35/84/33/823358433.db2.gz LYSKUKIENPIDFJ-UHFFFAOYSA-N -1 1 281.258 3.140 20 0 CGADMM O=c1ccc(-c2ccc([O-])c(F)c2F)cn1-c1ccccc1 ZINC001243344032 823359026 /nfs/dbraw/zinc/35/90/26/823359026.db2.gz WGKJILCUESAOFO-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM CCCCC[C@H](CC)Oc1c(=O)[n-]c(C)nc1C(=O)OC ZINC001234557253 818881390 /nfs/dbraw/zinc/88/13/90/818881390.db2.gz GZXZSKDNZAEVIF-NSHDSACASA-N -1 1 296.367 3.015 20 0 CGADMM Cc1ncn(-c2ccc(-c3c(F)ccc(C)c3[O-])nn2)c1C ZINC001236389869 819445770 /nfs/dbraw/zinc/44/57/70/819445770.db2.gz FNNJYPZDIXMLNV-UHFFFAOYSA-N -1 1 298.321 3.099 20 0 CGADMM Cc1cc(-c2c(F)ccc(C)c2[O-])nc(-c2ncccn2)n1 ZINC001236389386 819446442 /nfs/dbraw/zinc/44/64/42/819446442.db2.gz BLQRRRQSTYOVRD-UHFFFAOYSA-N -1 1 296.305 3.062 20 0 CGADMM CCOC(=O)Cc1ccc(-c2c(F)ccc(C)c2[O-])nc1 ZINC001236392205 819447559 /nfs/dbraw/zinc/44/75/59/819447559.db2.gz MHTXEUXEBNJUET-UHFFFAOYSA-N -1 1 289.306 3.007 20 0 CGADMM O=c1c(-c2cc(F)cc(F)c2[O-])cccn1-c1ccccc1 ZINC001243504157 823422692 /nfs/dbraw/zinc/42/26/92/823422692.db2.gz JFQPOVPLIFPOQW-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM O=C1Nc2ccc(-c3cc(F)cc(F)c3[O-])cc2C12CC2 ZINC001243505429 823423247 /nfs/dbraw/zinc/42/32/47/823423247.db2.gz RRINPMZSHPMKAZ-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM CSc1cncc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243505248 823423372 /nfs/dbraw/zinc/42/33/72/823423372.db2.gz YDCFYOHEPUYPOF-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@@H]3OCCC[C@H]3C2)cc1Cl ZINC001238143182 819940573 /nfs/dbraw/zinc/94/05/73/819940573.db2.gz KUYLCUMZFAYNEF-BONVTDFDSA-N -1 1 299.773 3.186 20 0 CGADMM COC(=O)c1ccc(C)c(-c2ccc(Cl)c([O-])c2)n1 ZINC001243576119 823451189 /nfs/dbraw/zinc/45/11/89/823451189.db2.gz BXEVQZCZRDKISO-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CC(C)OC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)nn1 ZINC001243576956 823451506 /nfs/dbraw/zinc/45/15/06/823451506.db2.gz POIMYYAOWLJNCR-UHFFFAOYSA-N -1 1 292.722 3.068 20 0 CGADMM CSc1cncc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243577918 823451836 /nfs/dbraw/zinc/45/18/36/823451836.db2.gz DEKKHCAUMDSYLR-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM [O-]c1cc(-c2ncnc3ncccc32)ccc1Cl ZINC001243577288 823451872 /nfs/dbraw/zinc/45/18/72/823451872.db2.gz WLIRFLPESKIYPV-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM CCc1nnc2ccc(-c3ccc(Cl)c([O-])c3)cn21 ZINC001243581046 823453613 /nfs/dbraw/zinc/45/36/13/823453613.db2.gz KLPIFKOFTHYWSJ-UHFFFAOYSA-N -1 1 273.723 3.318 20 0 CGADMM Cc1cnc2c(ccnc2-c2ccc(Cl)c([O-])c2)n1 ZINC001243579064 823452849 /nfs/dbraw/zinc/45/28/49/823452849.db2.gz NDLGAVIHTVVCAX-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM CC(=O)Nc1cc(C)c(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243584605 823455422 /nfs/dbraw/zinc/45/54/22/823455422.db2.gz WFQJDVZDYQFUQW-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM O=c1ccc(-c2ccc(Cl)c([O-])c2)cn1-c1ccncc1 ZINC001243584406 823455634 /nfs/dbraw/zinc/45/56/34/823455634.db2.gz QUCCKVKEQIHNTL-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM O=S1(=O)Cc2ccc(-c3ccc(Cl)c([O-])c3)cc2C1 ZINC001243584967 823456021 /nfs/dbraw/zinc/45/60/21/823456021.db2.gz ZTEMSMAJCRHELM-UHFFFAOYSA-N -1 1 294.759 3.141 20 0 CGADMM COCc1cc(-c2ccc(C(F)(F)F)cc2[O-])nc(C)n1 ZINC001243609446 823466401 /nfs/dbraw/zinc/46/64/01/823466401.db2.gz UJOPQWKADTWRRC-UHFFFAOYSA-N -1 1 298.264 3.323 20 0 CGADMM O=C1Cc2cc(-c3cccc4ccccc43)ccc2C(=O)[N-]1 ZINC001239471834 820321772 /nfs/dbraw/zinc/32/17/72/820321772.db2.gz LPVQTSXNJIHPGH-UHFFFAOYSA-N -1 1 287.318 3.319 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccccc3F)cc2[n-]1 ZINC001239555330 820407158 /nfs/dbraw/zinc/40/71/58/820407158.db2.gz PFYGHSDSDREOKH-UHFFFAOYSA-N -1 1 270.263 3.156 20 0 CGADMM COC(=O)c1nc2cc(-c3ccccc3F)ccc2[n-]1 ZINC001239555330 820407162 /nfs/dbraw/zinc/40/71/62/820407162.db2.gz PFYGHSDSDREOKH-UHFFFAOYSA-N -1 1 270.263 3.156 20 0 CGADMM O=C([O-])C=Cc1cccc(-c2cc3[nH]ccc3cn2)c1 ZINC001240547789 821133825 /nfs/dbraw/zinc/13/38/25/821133825.db2.gz FCHWYGLGKJKJTF-SNAWJCMRSA-N -1 1 264.284 3.328 20 0 CGADMM [O-]c1ccc(F)cc1-c1cnc(C(F)(F)F)cn1 ZINC001240693918 821248736 /nfs/dbraw/zinc/24/87/36/821248736.db2.gz HJVJSASWVZCHIX-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM CSc1ncc(C)c(-c2cc(F)ccc2[O-])n1 ZINC001240693510 821250178 /nfs/dbraw/zinc/25/01/78/821250178.db2.gz STCHFCIRSJETNS-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM CSc1nc2ncnc(-c3ccc([O-])c(F)c3)c2s1 ZINC001240781908 821320749 /nfs/dbraw/zinc/32/07/49/821320749.db2.gz KDTHLHICFAGHGS-UHFFFAOYSA-N -1 1 293.348 3.320 20 0 CGADMM Cc1cccc2ncnc(-c3ccc([O-])c(F)c3)c12 ZINC001240781928 821320973 /nfs/dbraw/zinc/32/09/73/821320973.db2.gz LFRGKOVCXFFGHW-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM CCCc1ccc(-c2c(F)cc([O-])cc2F)nn1 ZINC001241120401 821575699 /nfs/dbraw/zinc/57/56/99/821575699.db2.gz SHKUXEFOACHHFT-UHFFFAOYSA-N -1 1 250.248 3.080 20 0 CGADMM O=C1Nc2c(cccc2-c2c(F)cc([O-])cc2F)C12CC2 ZINC001241121019 821576852 /nfs/dbraw/zinc/57/68/52/821576852.db2.gz YNKAOHKNLZBYLT-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM O=c1c(-c2c(F)cc([O-])cc2F)cccn1C1CCC1 ZINC001241121545 821576945 /nfs/dbraw/zinc/57/69/45/821576945.db2.gz MEEDCWKWHGOLDA-UHFFFAOYSA-N -1 1 277.270 3.224 20 0 CGADMM [O-]c1cc(F)c(-c2cccnc2OC(F)F)c(F)c1 ZINC001241121166 821577398 /nfs/dbraw/zinc/57/73/98/821577398.db2.gz COFJBNQTRLSJBG-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM CCOC(=O)Cc1ccccc1-c1c(F)cc([O-])cc1F ZINC001241121978 821578153 /nfs/dbraw/zinc/57/81/53/821578153.db2.gz GRZRMZYVNZSVDE-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM COc1cc(OC)c(-c2c(F)cc([O-])cc2F)cc1OC ZINC001241122349 821578918 /nfs/dbraw/zinc/57/89/18/821578918.db2.gz APGWIPWKPWWDSB-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM COc1ccc(-c2c(F)cc([O-])cc2F)cc1OC ZINC001241122497 821579071 /nfs/dbraw/zinc/57/90/71/821579071.db2.gz PWUFWRBCHMCCAA-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM C[C@@H]1Oc2ccc(-c3c(F)cc([O-])cc3F)cc2NC1=O ZINC001241122718 821579836 /nfs/dbraw/zinc/57/98/36/821579836.db2.gz WTGKLTDBHFYDBF-ZETCQYMHSA-N -1 1 291.253 3.057 20 0 CGADMM COc1cc(C)ncc1-c1c(F)cc([O-])cc1F ZINC001241122831 821579873 /nfs/dbraw/zinc/57/98/73/821579873.db2.gz NHQGUMHZDTUXQX-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM O=c1ccc(-c2c(F)cc([O-])cc2F)cn1C1CCC1 ZINC001241125442 821581728 /nfs/dbraw/zinc/58/17/28/821581728.db2.gz WXOFQSXPBUXIBJ-UHFFFAOYSA-N -1 1 277.270 3.224 20 0 CGADMM COc1ccc2cnc(-c3cc([O-])cc(F)c3)nc2c1 ZINC001241256061 821676198 /nfs/dbraw/zinc/67/61/98/821676198.db2.gz LLVMLLHBXXQBJV-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM CCOC(=O)c1cc(-c2c(F)ccc([O-])c2F)ncc1C ZINC001241288899 821705321 /nfs/dbraw/zinc/70/53/21/821705321.db2.gz AJXGOQLJKKLKAR-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM [O-]c1ccc(F)c(-c2cc(OC(F)F)ccn2)c1F ZINC001241291922 821709582 /nfs/dbraw/zinc/70/95/82/821709582.db2.gz YCUULJMRWZAFJO-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM COc1ccc(-c2c(F)ccc([O-])c2F)nc1C ZINC001241295452 821714239 /nfs/dbraw/zinc/71/42/39/821714239.db2.gz RRRWNAURMXLIGG-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cncc(CC)c3)cc2[n-]1 ZINC001241379532 821779814 /nfs/dbraw/zinc/77/98/14/821779814.db2.gz JPSNXLYGNYHUDC-UHFFFAOYSA-N -1 1 295.342 3.364 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cncc(CC)c3)ccc2[n-]1 ZINC001241379532 821779818 /nfs/dbraw/zinc/77/98/18/821779818.db2.gz JPSNXLYGNYHUDC-UHFFFAOYSA-N -1 1 295.342 3.364 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(C)c(N)c(C)c3)ccc2[n-]1 ZINC001241883756 822192931 /nfs/dbraw/zinc/19/29/31/822192931.db2.gz NDQKNRZGARGSSA-UHFFFAOYSA-N -1 1 295.342 3.216 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(C)c(N)c(C)c3)cc2[n-]1 ZINC001241883756 822192934 /nfs/dbraw/zinc/19/29/34/822192934.db2.gz NDQKNRZGARGSSA-UHFFFAOYSA-N -1 1 295.342 3.216 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ncnc2c1CCC2 ZINC001242126659 822886882 /nfs/dbraw/zinc/88/68/82/822886882.db2.gz PRDXHONEJMCPCR-UHFFFAOYSA-N -1 1 280.249 3.357 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ncnc2cnccc21 ZINC001242132102 822888702 /nfs/dbraw/zinc/88/87/02/822888702.db2.gz VMBHWWAGVWMFBR-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM [O-]c1ccc(-c2cnc3cc[nH]c3n2)cc1C(F)(F)F ZINC001242147890 822894125 /nfs/dbraw/zinc/89/41/25/822894125.db2.gz IEKODLNDUKISQQ-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM [O-]c1ccc(-c2ncnc3ncccc32)cc1C(F)(F)F ZINC001242148447 822894760 /nfs/dbraw/zinc/89/47/60/822894760.db2.gz ZFCWJMWPYUBKJB-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM Cc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)nc1C ZINC001242158069 822899183 /nfs/dbraw/zinc/89/91/83/822899183.db2.gz RUKZCYUOEAUGLQ-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM COc1ccc(-c2ccc(F)cc2[O-])c(F)c1F ZINC001242218114 822914918 /nfs/dbraw/zinc/91/49/18/822914918.db2.gz SSXDVTDAMHOKMH-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COC(=O)c1ccc2cnc(-c3cccc(C)c3[O-])nc2c1 ZINC001242344094 822957165 /nfs/dbraw/zinc/95/71/65/822957165.db2.gz OWNLYBGIXMKBHD-UHFFFAOYSA-N -1 1 294.310 3.097 20 0 CGADMM [O-]c1c(Cl)cccc1-c1ccc(-n2ccnn2)cc1 ZINC001242364875 822968406 /nfs/dbraw/zinc/96/84/06/822968406.db2.gz UIHAVHQSFTUPKG-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM COC(=O)COc1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001242365776 822968884 /nfs/dbraw/zinc/96/88/84/822968884.db2.gz KBXBICJPVBPAGB-UHFFFAOYSA-N -1 1 292.718 3.264 20 0 CGADMM Cc1c2nc[nH]c2ncc1-c1cccc(Cl)c1[O-] ZINC001242366543 822969135 /nfs/dbraw/zinc/96/91/35/822969135.db2.gz OIDLCRMPDSOIHW-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM COc1ccc(C(=O)[O-])cc1-c1cc2[nH]ccc2c(C)n1 ZINC001242389820 822978748 /nfs/dbraw/zinc/97/87/48/822978748.db2.gz VBRINILYKZSGDU-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM CCCn1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)n1 ZINC001338919095 936338801 /nfs/dbraw/zinc/33/88/01/936338801.db2.gz NLGDALCTGOKKSG-UHFFFAOYSA-N -1 1 293.754 3.213 20 0 CGADMM C[C@@H]1CCc2[n-]n([C@@H]3CCOC4(CCCC4)C3)c(=O)c2C1 ZINC001352085490 937035207 /nfs/dbraw/zinc/03/52/07/937035207.db2.gz TUKRHNNJILPKRY-MGPQQGTHSA-N -1 1 290.407 3.113 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3cnccc3c2)cc1 ZINC000149563975 937216065 /nfs/dbraw/zinc/21/60/65/937216065.db2.gz ROZRPWPUJZDIKT-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM Cc1cnc(SCC2([C@H]3CCCCO3)CCC2)[n-]c1=O ZINC001364612138 937233146 /nfs/dbraw/zinc/23/31/46/937233146.db2.gz APOXSYUDDORDAZ-GFCCVEGCSA-N -1 1 294.420 3.322 20 0 CGADMM CCC[C@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)C(C)C ZINC001436672247 937285558 /nfs/dbraw/zinc/28/55/58/937285558.db2.gz YGFPZJIJTFWPSS-NSHDSACASA-N -1 1 291.395 3.072 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)CCCC(C)C)c([O-])c1 ZINC001440948296 937335362 /nfs/dbraw/zinc/33/53/62/937335362.db2.gz QIAOBRZRILTPFW-GFCCVEGCSA-N -1 1 264.369 3.040 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCC[C@H]1CC1CCCCC1 ZINC001442556126 937343018 /nfs/dbraw/zinc/34/30/18/937343018.db2.gz YTNBTRFYPIIOTF-AWEZNQCLSA-N -1 1 288.391 3.362 20 0 CGADMM CC(C)c1csc(NC(=O)c2cccc([O-])c2F)n1 ZINC001444030944 937349718 /nfs/dbraw/zinc/34/97/18/937349718.db2.gz QDBPDWIVMCQZJH-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM CC1(C)CC[C@@H](NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001446270939 937362811 /nfs/dbraw/zinc/36/28/11/937362811.db2.gz CLBFZLZMVWUPNH-GFCCVEGCSA-N -1 1 284.359 3.249 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1ccoc1C1CC1 ZINC001449445474 937379433 /nfs/dbraw/zinc/37/94/33/937379433.db2.gz HRAWBYZOVOTOOV-UHFFFAOYSA-N -1 1 279.242 3.393 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc(CF)cc1 ZINC001453014886 937399847 /nfs/dbraw/zinc/39/98/47/937399847.db2.gz KUZYQTGXMUTEFA-UHFFFAOYSA-N -1 1 263.243 3.253 20 0 CGADMM O=C(NCc1cc(Cl)cc(Cl)c1)c1cncc([O-])c1 ZINC001453316024 937402092 /nfs/dbraw/zinc/40/20/92/937402092.db2.gz GOZSDAYJZAIKOG-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM COCC1(NC(=O)c2ccc(Cl)cc2[O-])CCCCC1 ZINC001454040770 937406885 /nfs/dbraw/zinc/40/68/85/937406885.db2.gz HDCVTJQJKARAOK-UHFFFAOYSA-N -1 1 297.782 3.125 20 0 CGADMM Cc1cc(C)c(O)c(NC(=O)c2ccc([O-])cc2F)c1 ZINC001454597796 937410222 /nfs/dbraw/zinc/41/02/22/937410222.db2.gz GHBPQVCMLCGTGS-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ncoc1-c1ccccc1 ZINC001454756762 937411878 /nfs/dbraw/zinc/41/18/78/937411878.db2.gz MLVRFSFWOZBOGF-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM C[C@@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1[O-] ZINC001454771239 937412263 /nfs/dbraw/zinc/41/22/63/937412263.db2.gz QEVLTCLUDWKXOA-NSHDSACASA-N -1 1 273.307 3.349 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC001456535308 937431941 /nfs/dbraw/zinc/43/19/41/937431941.db2.gz STIFKYUUJOLDIL-XVJNWHFHSA-N -1 1 294.354 3.105 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cnoc1C1CC1 ZINC001456609227 937433307 /nfs/dbraw/zinc/43/33/07/937433307.db2.gz VSZSOJJUHBNTDW-UHFFFAOYSA-N -1 1 296.685 3.302 20 0 CGADMM O=C(Nc1ccncc1[O-])c1cc(Cl)cc2ccccc21 ZINC001457616895 937444460 /nfs/dbraw/zinc/44/44/60/937444460.db2.gz OZYLEIPYOKOEMT-UHFFFAOYSA-N -1 1 298.729 3.268 20 0 CGADMM O=C([N-]c1c(F)ccnc1F)c1ccc(F)c(F)c1F ZINC001460583029 937535431 /nfs/dbraw/zinc/53/54/31/937535431.db2.gz AZCMGUIXFVMNDJ-UHFFFAOYSA-N -1 1 288.175 3.029 20 0 CGADMM O=C(NCc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC000196375146 932033478 /nfs/dbraw/zinc/03/34/78/932033478.db2.gz SITDCGXXPYBAFF-UHFFFAOYSA-N -1 1 276.723 3.367 20 0 CGADMM COC(=O)c1c[n-]c(O[C@@H]2Cc3cccc4cccc2c34)n1 ZINC001230280195 932550690 /nfs/dbraw/zinc/55/06/90/932550690.db2.gz NRPHOOLXTXWIOK-CQSZACIVSA-N -1 1 294.310 3.026 20 0 CGADMM CCC[C@H](C)[C@@H](Oc1nc(C(=O)OC)c[n-]1)C(C)C ZINC001230282019 932551132 /nfs/dbraw/zinc/55/11/32/932551132.db2.gz NRLMLMHWXQZEQX-JQWIXIFHSA-N -1 1 268.357 3.036 20 0 CGADMM CCCCC(CCCC)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282247 932551309 /nfs/dbraw/zinc/55/13/09/932551309.db2.gz SHXXBAZPWAGRTR-UHFFFAOYSA-N -1 1 268.357 3.324 20 0 CGADMM C[C@H]1CCCCC[N@@H+]1Cc1ncc(Br)cc1[O-] ZINC001462113821 937618809 /nfs/dbraw/zinc/61/88/09/937618809.db2.gz CDCFVUXDCALBNK-JTQLQIEISA-N -1 1 299.212 3.314 20 0 CGADMM O=C1OCc2c1cccc2-c1cc(F)c([O-])c(F)c1 ZINC001244094158 932707035 /nfs/dbraw/zinc/70/70/35/932707035.db2.gz PIMJWJCHKDHWMJ-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM O=C(NCc1cncc(F)c1)c1ccc2ccccc2c1[O-] ZINC001303484329 932827867 /nfs/dbraw/zinc/82/78/67/932827867.db2.gz FXJGZOVPDPYRHA-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM CCC[C@@](C)(NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC001305290811 932865554 /nfs/dbraw/zinc/86/55/54/932865554.db2.gz ARUHLLPDGMIHGQ-QGZVFWFLSA-N -1 1 284.359 3.233 20 0 CGADMM O=C([N-]c1nc(-c2ccccc2)co1)c1cc(Cl)no1 ZINC001306841402 932889927 /nfs/dbraw/zinc/88/99/27/932889927.db2.gz XXTULTQPNNSJIT-UHFFFAOYSA-N -1 1 289.678 3.235 20 0 CGADMM COc1ccc(Cl)cc1CSc1ncc(C)c(=O)[n-]1 ZINC001307347191 932943094 /nfs/dbraw/zinc/94/30/94/932943094.db2.gz MHTBBAKKZCAEIE-UHFFFAOYSA-N -1 1 296.779 3.445 20 0 CGADMM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1sccc1Cl ZINC001309436952 933234325 /nfs/dbraw/zinc/23/43/25/933234325.db2.gz NLVIWMVAORRQGB-RKDXNWHRSA-N -1 1 293.841 3.116 20 0 CGADMM O=C(Nc1cccc(OC(F)F)c1)c1cccc([O-])c1F ZINC001464216340 937687907 /nfs/dbraw/zinc/68/79/07/937687907.db2.gz FHBTXXDBSWKTRF-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM O=C(Nc1nc2ccsc2s1)c1cccc([O-])c1F ZINC001465303760 937699813 /nfs/dbraw/zinc/69/98/13/937699813.db2.gz WKVYVCGIMQXWIE-UHFFFAOYSA-N -1 1 294.332 3.455 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N(C1CC1)C1CCCC1 ZINC001464936601 937696601 /nfs/dbraw/zinc/69/66/01/937696601.db2.gz RDQUZLQRYVTCQB-UHFFFAOYSA-N -1 1 263.312 3.079 20 0 CGADMM O=C(C=C1CCCCC1)Nc1cc(F)cc(F)c1[O-] ZINC001469162990 937736118 /nfs/dbraw/zinc/73/61/18/937736118.db2.gz UTRUWFBTVPLWPR-UHFFFAOYSA-N -1 1 267.275 3.499 20 0 CGADMM CC(C)c1nocc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001469161898 937735751 /nfs/dbraw/zinc/73/57/51/937735751.db2.gz RVYJVXSEJGZSDV-UHFFFAOYSA-N -1 1 282.246 3.034 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001469928828 937745446 /nfs/dbraw/zinc/74/54/46/937745446.db2.gz MQIPSXLSHQDMBJ-ZBEGNZNMSA-N -1 1 289.281 3.355 20 0 CGADMM COc1nc(C(=O)[N-]c2ccc(Cl)cc2SC)co1 ZINC001470024410 937747086 /nfs/dbraw/zinc/74/70/86/937747086.db2.gz DXDFZVOIGHMYFQ-UHFFFAOYSA-N -1 1 298.751 3.311 20 0 CGADMM CC1(C)CCC[C@@H]1CCNC(=O)c1c([O-])cccc1F ZINC001470405011 937752406 /nfs/dbraw/zinc/75/24/06/937752406.db2.gz SUEQRTKEZDHOOD-LLVKDONJSA-N -1 1 279.355 3.478 20 0 CGADMM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001322515010 934309943 /nfs/dbraw/zinc/30/99/43/934309943.db2.gz YWRHLJXFTKHADH-VHSXEESVSA-N -1 1 298.180 3.385 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC(c2ccccc2)C1 ZINC001471060223 937761212 /nfs/dbraw/zinc/76/12/12/937761212.db2.gz BJHAXOXTBCFCMD-UHFFFAOYSA-N -1 1 287.746 3.285 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001471170165 937762340 /nfs/dbraw/zinc/76/23/40/937762340.db2.gz ZUHVYOUIRQHOND-NILFDRSVSA-N -1 1 283.302 3.056 20 0 CGADMM C[C@H]1CC[C@H](C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC001471700156 937768413 /nfs/dbraw/zinc/76/84/13/937768413.db2.gz JDPIVXAFCIXMLZ-UMSPYCQHSA-N -1 1 281.783 3.488 20 0 CGADMM C[C@H]1CC[C@@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001471891567 937770231 /nfs/dbraw/zinc/77/02/31/937770231.db2.gz NCIHDTFKLAYPPG-CMPLNLGQSA-N -1 1 285.343 3.169 20 0 CGADMM Cc1cccc(C(=O)Nc2cc(F)c([O-])cc2Cl)c1O ZINC001472193302 937773637 /nfs/dbraw/zinc/77/36/37/937773637.db2.gz UZEGFMPAEVPAKE-UHFFFAOYSA-N -1 1 295.697 3.451 20 0 CGADMM C[C@@H]1CCc2[n-]n(C[C@H]3CCCC3(F)F)c(=O)c2C1 ZINC001330066670 935264747 /nfs/dbraw/zinc/26/47/47/935264747.db2.gz FZVBHFPGUTXVEE-GMTAPVOTSA-N -1 1 270.323 3.056 20 0 CGADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1ccns1 ZINC001337077848 936235543 /nfs/dbraw/zinc/23/55/43/936235543.db2.gz BZOCLPJVASVIEQ-UHFFFAOYSA-N -1 1 294.405 3.295 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001538540777 938118718 /nfs/dbraw/zinc/11/87/18/938118718.db2.gz DTLKCPNJYSFGQB-YPMHNXCESA-N -1 1 277.339 3.184 20 0 CGADMM CCC(CC)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001540312186 938129974 /nfs/dbraw/zinc/12/99/74/938129974.db2.gz MDXCEGNFMPPQOQ-UHFFFAOYSA-N -1 1 273.332 3.169 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c1 ZINC001540668114 938132896 /nfs/dbraw/zinc/13/28/96/938132896.db2.gz ZPDIEZGBELIFKN-SWLSCSKDSA-N -1 1 289.375 3.164 20 0 CGADMM CCC[C@H]1SCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001543815963 938141835 /nfs/dbraw/zinc/14/18/35/938141835.db2.gz DUKPCDHJLMQASW-CQSZACIVSA-N -1 1 299.823 3.290 20 0 CGADMM Cc1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)c(C)n1 ZINC001545392800 938149601 /nfs/dbraw/zinc/14/96/01/938149601.db2.gz FQJIGSVIPXHCNY-UHFFFAOYSA-N -1 1 290.750 3.239 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1C[C@H](C2CC2)C[C@H]1C1CC1 ZINC001551062148 938175799 /nfs/dbraw/zinc/17/57/99/938175799.db2.gz DQDOUVLZWHHBBZ-DOMZBBRYSA-N -1 1 289.350 3.182 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H]1C1CCCCC1 ZINC001551749751 938185182 /nfs/dbraw/zinc/18/51/82/938185182.db2.gz BGXKKUZYNKREDP-OAHLLOKOSA-N -1 1 277.339 3.326 20 0 CGADMM Cc1coc2ccc(NC(=O)c3ccc([O-])cn3)cc12 ZINC001556271290 938202917 /nfs/dbraw/zinc/20/29/17/938202917.db2.gz UCHAPEODKZSEJB-UHFFFAOYSA-N -1 1 268.272 3.094 20 0 CGADMM CCCCOc1ccc(NC(=O)c2ccccc2[O-])cn1 ZINC001556311412 938203116 /nfs/dbraw/zinc/20/31/16/938203116.db2.gz DVHXOWSBSZHXOI-UHFFFAOYSA-N -1 1 286.331 3.218 20 0 CGADMM O=C(Nc1cccc(C2CC2)n1)c1cccc([O-])c1F ZINC001556719756 938205307 /nfs/dbraw/zinc/20/53/07/938205307.db2.gz QUCFDQFXTPMJKS-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM Cc1ncccc1/C=C\C(=O)Nc1cc([O-])c(F)cc1F ZINC001556919869 938206379 /nfs/dbraw/zinc/20/63/79/938206379.db2.gz UMKIOPFWXHGMBS-PLNGDYQASA-N -1 1 290.269 3.026 20 0 CGADMM COCc1sccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001556920326 938206483 /nfs/dbraw/zinc/20/64/83/938206483.db2.gz MYAZYWAVWNXDEL-UHFFFAOYSA-N -1 1 299.298 3.131 20 0 CGADMM C[C@@H]1c2sccc2CCN1C(=O)c1cccc([O-])c1F ZINC001558150821 938213786 /nfs/dbraw/zinc/21/37/86/938213786.db2.gz HRLHSCRSYYOJPT-SECBINFHSA-N -1 1 291.347 3.352 20 0 CGADMM O=C(/C=C\c1ccc[nH]1)Nc1cc(F)c([O-])cc1Cl ZINC001558644445 938216950 /nfs/dbraw/zinc/21/69/50/938216950.db2.gz KXOQSVISZOCBMS-ARJAWSKDSA-N -1 1 280.686 3.165 20 0 CGADMM CSCC(C)(C)NC(=O)c1ccc2ccccc2c1[O-] ZINC001558699902 938217273 /nfs/dbraw/zinc/21/72/73/938217273.db2.gz IRPHBHXAOPEVCR-UHFFFAOYSA-N -1 1 289.400 3.417 20 0 CGADMM CC[C@H](C)CS(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1 ZINC001561766898 938296451 /nfs/dbraw/zinc/29/64/51/938296451.db2.gz GMQSYSWWRZCGTA-JQWIXIFHSA-N -1 1 297.411 3.166 20 0 CGADMM O=C([O-])CC[C@@H]1CCCCN1C/C(Cl)=C\Cl ZINC000211347444 949530440 /nfs/dbraw/zinc/53/04/40/949530440.db2.gz NXSOYFWDTHZANA-PCYYEKQGSA-N -1 1 266.168 3.025 20 0 CGADMM O=C([O-])c1ccc(CN2CCc3ccccc3C2)c(F)c1 ZINC000062750733 957607889 /nfs/dbraw/zinc/60/78/89/957607889.db2.gz CIRFCRMPCOLTQQ-UHFFFAOYSA-N -1 1 285.318 3.082 20 0 CGADMM O=C([O-])c1ccc2c(c1)CN(Cc1ccc(F)cc1)CC2 ZINC000115082654 958453582 /nfs/dbraw/zinc/45/35/82/958453582.db2.gz IVRBVNYZEYYYQZ-UHFFFAOYSA-N -1 1 285.318 3.082 20 0 CGADMM Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000235194944 960396304 /nfs/dbraw/zinc/39/63/04/960396304.db2.gz WHELHEYDUDYGQY-LLVKDONJSA-N -1 1 284.315 3.009 20 0 CGADMM Cc1c2ccccc2oc1CNC(=O)c1ncc(C)cc1[O-] ZINC001565743705 960815872 /nfs/dbraw/zinc/81/58/72/960815872.db2.gz LMHLXQAPXMHZHQ-UHFFFAOYSA-N -1 1 296.326 3.080 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])cn2)[C@H]1c1cccs1 ZINC001570041060 961900514 /nfs/dbraw/zinc/90/05/14/961900514.db2.gz XXIWIXULMWBCHT-ZDUSSCGKSA-N -1 1 288.372 3.072 20 0 CGADMM C[C@H]1CCCC[C@@]1(C)NC(=O)c1cccc([O-])c1F ZINC001570095547 961904889 /nfs/dbraw/zinc/90/48/89/961904889.db2.gz UIILYDVXXCKIRP-ZUZCIYMTSA-N -1 1 265.328 3.230 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C(F)(F)c1ccccc1 ZINC001570464550 961971356 /nfs/dbraw/zinc/97/13/56/961971356.db2.gz HDQVITLOQQBJMM-UHFFFAOYSA-N -1 1 299.223 3.401 20 0 CGADMM Fc1ccc(SCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001581854283 962748150 /nfs/dbraw/zinc/74/81/50/962748150.db2.gz QQUHJPBXIISVSE-UHFFFAOYSA-N -1 1 292.364 3.360 20 0 CGADMM CC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])[C@H]1CCCCO1 ZINC001583104841 962776156 /nfs/dbraw/zinc/77/61/56/962776156.db2.gz SIHAIWMFVBIXTH-TZMCWYRMSA-N -1 1 297.782 3.123 20 0 CGADMM O=C(NCCCc1ccco1)c1cc(Cl)ccc1[O-] ZINC001585681400 963035217 /nfs/dbraw/zinc/03/52/17/963035217.db2.gz MCSLCAZPXQRDSI-UHFFFAOYSA-N -1 1 279.723 3.001 20 0 CGADMM Cc1[nH]c(CNCc2ccc(Cl)s2)cc1C(=O)[O-] ZINC000306054127 963180787 /nfs/dbraw/zinc/18/07/87/963180787.db2.gz QKYGDSWGHZLGAL-UHFFFAOYSA-N -1 1 284.768 3.026 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1nsc2ccccc21 ZINC001587394190 963194859 /nfs/dbraw/zinc/19/48/59/963194859.db2.gz SHRUOJKSJCDSID-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM C[C@@H](NCc1ccccc1C(=O)[O-])c1ccc(Cl)cn1 ZINC001589131143 963348296 /nfs/dbraw/zinc/34/82/96/963348296.db2.gz BRRIUYRXSIVXSE-SNVBAGLBSA-N -1 1 290.750 3.284 20 0 CGADMM CCCC[C@@H](NCc1cc2cc(C)ccc2o1)C(=O)[O-] ZINC001595638271 981943341 /nfs/dbraw/zinc/94/33/41/981943341.db2.gz MKCHBYNUJXAOLK-CQSZACIVSA-N -1 1 275.348 3.474 20 0 CGADMM CCN(Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1 ZINC001596371587 983870059 /nfs/dbraw/zinc/87/00/59/983870059.db2.gz PWYJBTQXBXNJLE-ZHACJKMWSA-N -1 1 285.343 3.400 20 0 CGADMM CCc1[nH]c(CN2CCC[C@H]2c2ccncc2)cc1C(=O)[O-] ZINC001597386867 987609028 /nfs/dbraw/zinc/60/90/28/987609028.db2.gz PDKWHDXENSZRQQ-INIZCTEOSA-N -1 1 299.374 3.007 20 0 CGADMM CCc1[nH]c(CN2Cc3ccccc3[C@@H](C)C2)cc1C(=O)[O-] ZINC001597390566 987617691 /nfs/dbraw/zinc/61/76/91/987617691.db2.gz FUDVBUFGUGIFNN-LBPRGKRZSA-N -1 1 298.386 3.395 20 0 CGADMM CN(Cc1ccc(F)c(F)c1)Cc1ccccc1C(=O)[O-] ZINC001598518556 992649724 /nfs/dbraw/zinc/64/97/24/992649724.db2.gz LFWLGESIAJDBPA-UHFFFAOYSA-N -1 1 291.297 3.295 20 0 CGADMM CC(C)[N@@H+](CCC(=O)[O-])Cc1nccc(Cl)c1Cl ZINC001591589543 992798787 /nfs/dbraw/zinc/79/87/87/992798787.db2.gz NTBWVSCZCKXZBD-UHFFFAOYSA-N -1 1 291.178 3.074 20 0 CGADMM CC(C)N(CCC(=O)[O-])Cc1nccc(Cl)c1Cl ZINC001591589543 992798795 /nfs/dbraw/zinc/79/87/95/992798795.db2.gz NTBWVSCZCKXZBD-UHFFFAOYSA-N -1 1 291.178 3.074 20 0 CGADMM C[C@H]1[C@H]([NH2+]Cc2ccc([O-])c(Cl)c2)CC[C@H]1CC(=O)[O-] ZINC001594185688 998719541 /nfs/dbraw/zinc/71/95/41/998719541.db2.gz RCDIQEZNLIFNMQ-SUZMYJTESA-N -1 1 297.782 3.025 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CCCCC[C@@H]1C ZINC001594372429 999407073 /nfs/dbraw/zinc/40/70/73/999407073.db2.gz XULNJKLCXLWCIP-VHSXEESVSA-N -1 1 268.382 3.167 20 0 CGADMM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ncc(C)cc1[O-] ZINC000427465426 529425929 /nfs/dbraw/zinc/42/59/29/529425929.db2.gz HOSPVOLCEJGIGJ-CHWSQXEVSA-N -1 1 276.380 3.136 20 0 CGADMM CCc1cc(=O)[n-]c(SCCCc2cccc(F)c2)n1 ZINC000191504047 529506940 /nfs/dbraw/zinc/50/69/40/529506940.db2.gz QDKXEXIYCLJFIW-UHFFFAOYSA-N -1 1 292.379 3.196 20 0 CGADMM CCc1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000438805609 529542138 /nfs/dbraw/zinc/54/21/38/529542138.db2.gz BAUGZYCLEDTIIQ-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM CCc1ccc(C(=O)Nc2nccn2CC(C)C)c([O-])c1 ZINC000436821673 529611794 /nfs/dbraw/zinc/61/17/94/529611794.db2.gz QEPCFCROHDDQFW-UHFFFAOYSA-N -1 1 287.363 3.059 20 0 CGADMM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCCC1 ZINC000037425155 344950711 /nfs/dbraw/zinc/95/07/11/344950711.db2.gz LCVHOCPFRZAVAM-LLVKDONJSA-N -1 1 274.147 3.215 20 0 CGADMM O=C(Cc1cccc(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000067739036 345330660 /nfs/dbraw/zinc/33/06/60/345330660.db2.gz NNJUKQHDBRWMFF-UHFFFAOYSA-N -1 1 279.698 3.366 20 0 CGADMM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc(Cl)o1 ZINC000072989811 345425792 /nfs/dbraw/zinc/42/57/92/345425792.db2.gz KELRFYABZMYFNC-UHFFFAOYSA-N -1 1 295.707 3.297 20 0 CGADMM COc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000074934517 345488450 /nfs/dbraw/zinc/48/84/50/345488450.db2.gz CDGFWKBYVMIAGZ-UHFFFAOYSA-N -1 1 297.763 3.149 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc(Cl)s1 ZINC000078807064 345622282 /nfs/dbraw/zinc/62/22/82/345622282.db2.gz GVJZTOQTYQZZEH-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM CCCCn1ncc([N-]c2nc(C3CC3)ns2)c1C ZINC000092687074 345852551 /nfs/dbraw/zinc/85/25/51/345852551.db2.gz HWYFTGNMUMNJCE-UHFFFAOYSA-N -1 1 277.397 3.464 20 0 CGADMM CC(C)(C)c1csc(CN2CCC[C@](C)(C(=O)[O-])C2)n1 ZINC000094969423 345900271 /nfs/dbraw/zinc/90/02/71/345900271.db2.gz ATGUCGOFMZIOOW-HNNXBMFYSA-N -1 1 296.436 3.127 20 0 CGADMM O=C([O-])CC1CCN(Cc2sccc2Cl)CC1 ZINC000304622363 346450400 /nfs/dbraw/zinc/45/04/00/346450400.db2.gz XSIWLOGZPRFFTC-UHFFFAOYSA-N -1 1 273.785 3.088 20 0 CGADMM O=C(N[C@H]1CCCC12CCCCC2)c1cncc([O-])c1 ZINC000312968012 346478484 /nfs/dbraw/zinc/47/84/84/346478484.db2.gz AHHQBLQXOWCYIX-AWEZNQCLSA-N -1 1 274.364 3.020 20 0 CGADMM Cc1oc(CN(Cc2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000383670281 346562502 /nfs/dbraw/zinc/56/25/02/346562502.db2.gz SXJRMFLUTUJOEW-UHFFFAOYSA-N -1 1 285.343 3.451 20 0 CGADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)C1CCCCCC1 ZINC000586839385 346739683 /nfs/dbraw/zinc/73/96/83/346739683.db2.gz YLJSILSLVINUJW-UHFFFAOYSA-N -1 1 289.404 3.469 20 0 CGADMM CSCC1(CC(=O)Nc2cccc(F)c2[O-])CC1 ZINC000600446898 347800613 /nfs/dbraw/zinc/80/06/13/347800613.db2.gz WOOHNZYFHVLMMN-UHFFFAOYSA-N -1 1 269.341 3.003 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)[C@H](C)C(C)(C)C)[nH][n-]2)s1 ZINC000604601368 348126011 /nfs/dbraw/zinc/12/60/11/348126011.db2.gz GVVYQMJOEPNANO-JTQLQIEISA-N -1 1 291.420 3.489 20 0 CGADMM Cc1ccc(OCC(=O)Nc2c([O-])cccc2F)cc1C ZINC000605435474 348155064 /nfs/dbraw/zinc/15/50/64/348155064.db2.gz KGVRCFYWOJQDJH-UHFFFAOYSA-N -1 1 289.306 3.166 20 0 CGADMM Cc1ccccc1CC(=O)Nc1c([O-])cccc1F ZINC000605436756 348155099 /nfs/dbraw/zinc/15/50/99/348155099.db2.gz MDRINXLGAWLIRT-UHFFFAOYSA-N -1 1 259.280 3.021 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc(=O)[nH]c2ccccc21 ZINC000605439490 348155977 /nfs/dbraw/zinc/15/59/77/348155977.db2.gz XDCFGLMWMOKQFN-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM C[C@@H](Cc1ccccc1F)C(=O)Nc1c([O-])cccc1F ZINC000608366135 348301623 /nfs/dbraw/zinc/30/16/23/348301623.db2.gz FDDDPSISKSMTST-JTQLQIEISA-N -1 1 291.297 3.488 20 0 CGADMM CCCCSCCC(=O)Nc1c([O-])cccc1F ZINC000610339784 348375937 /nfs/dbraw/zinc/37/59/37/348375937.db2.gz OVVWHOHEWFMASI-UHFFFAOYSA-N -1 1 271.357 3.393 20 0 CGADMM C[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCO1 ZINC000612758671 348544203 /nfs/dbraw/zinc/54/42/03/348544203.db2.gz BLENRWXPVRLOKO-ZANVPECISA-N -1 1 283.755 3.189 20 0 CGADMM CCc1c(C)[n-]n(-c2ncc(Cl)cc2Cl)c1=O ZINC000612373220 348514012 /nfs/dbraw/zinc/51/40/12/348514012.db2.gz XTTWQVQUSCAINX-MRVPVSSYSA-N -1 1 272.135 3.137 20 0 CGADMM CCc1c(C)[n-]n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000614186688 348656913 /nfs/dbraw/zinc/65/69/13/348656913.db2.gz GGIXGZMBVFFNJB-LBPRGKRZSA-N -1 1 284.281 3.450 20 0 CGADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000613512141 348614435 /nfs/dbraw/zinc/61/44/35/348614435.db2.gz OOMQLNUCLFNUBH-JSGCOSHPSA-N -1 1 297.395 3.325 20 0 CGADMM CO[C@H](C(=O)Nc1ccc([O-])c(F)c1F)C1CCCCC1 ZINC000616099655 348786555 /nfs/dbraw/zinc/78/65/55/348786555.db2.gz DCKXXOJWDGVKML-AWEZNQCLSA-N -1 1 299.317 3.204 20 0 CGADMM CC(C)[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1F ZINC000617994212 349035035 /nfs/dbraw/zinc/03/50/35/349035035.db2.gz HYJQKXQQCYAEJO-OAHLLOKOSA-N -1 1 288.322 3.053 20 0 CGADMM CC1(C)C[C@@]1(C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000620079946 349322464 /nfs/dbraw/zinc/32/24/64/349322464.db2.gz XOUAWUUSGVJLEP-CYBMUJFWSA-N -1 1 298.180 3.073 20 0 CGADMM Cc1noc(C)c1[N-]C(=O)c1ccc(C(F)F)o1 ZINC000624730076 350092821 /nfs/dbraw/zinc/09/28/21/350092821.db2.gz HJJUUFCBUPEJLU-UHFFFAOYSA-N -1 1 256.208 3.074 20 0 CGADMM CCC(F)(F)C(C)(C)CNC(=O)c1c([O-])cccc1F ZINC000628881503 350617808 /nfs/dbraw/zinc/61/78/08/350617808.db2.gz OONRNLHMPONSIY-UHFFFAOYSA-N -1 1 289.297 3.333 20 0 CGADMM CC(C)C[C@H](C)OCCC(=O)Nc1cccc(F)c1[O-] ZINC000628960635 350626437 /nfs/dbraw/zinc/62/64/37/350626437.db2.gz NTGFJETXTQGRFL-NSHDSACASA-N -1 1 283.343 3.311 20 0 CGADMM CCO[C@@H](CSc1nc(C(F)F)cc(=O)[n-]1)C1CC1 ZINC000629183757 350665214 /nfs/dbraw/zinc/66/52/14/350665214.db2.gz UCVGEUTVWPXJDP-VIFPVBQESA-N -1 1 290.335 3.027 20 0 CGADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629379084 350685324 /nfs/dbraw/zinc/68/53/24/350685324.db2.gz MJZSKZDFQPJXKC-PBHICJAKSA-N -1 1 299.374 3.199 20 0 CGADMM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632094176 351167321 /nfs/dbraw/zinc/16/73/21/351167321.db2.gz OSWUZOHDURFWLE-IUCAKERBSA-N -1 1 293.335 3.074 20 0 CGADMM C[C@H](CCC1CC1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632515990 351202815 /nfs/dbraw/zinc/20/28/15/351202815.db2.gz YWJUWENWXAJPTM-SNVBAGLBSA-N -1 1 281.783 3.283 20 0 CGADMM C[C@]1(NC(=O)Cc2ccc([O-])c(Cl)c2)CC=CCC1 ZINC000633409713 351297364 /nfs/dbraw/zinc/29/73/64/351297364.db2.gz ZTJRTLZEKUUSOJ-HNNXBMFYSA-N -1 1 279.767 3.203 20 0 CGADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])[C@H]1c1ccco1 ZINC000633790715 351374074 /nfs/dbraw/zinc/37/40/74/351374074.db2.gz AFMTWEPGMAHSRR-AWEZNQCLSA-N -1 1 289.306 3.348 20 0 CGADMM CCCc1c(C)[n-]n(CCCOc2ccccc2)c1=O ZINC000634602811 351537713 /nfs/dbraw/zinc/53/77/13/351537713.db2.gz FJPUJCUICUZXGE-OAHLLOKOSA-N -1 1 274.364 3.090 20 0 CGADMM C[C@H]1CCc2[n-]n(CCCc3ccccc3)c(=O)c2C1 ZINC000634603450 351537735 /nfs/dbraw/zinc/53/77/35/351537735.db2.gz ZPRJUAOBQROXLR-ZFWWWQNUSA-N -1 1 270.376 3.254 20 0 CGADMM CCCc1[n-]n(-c2cnnc3ccccc32)c(=O)c1CC ZINC000634604537 351538602 /nfs/dbraw/zinc/53/86/02/351538602.db2.gz JIMWKAFFDASBTC-LLVKDONJSA-N -1 1 282.347 3.159 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3cccc(F)c3Cl)c(=O)c21 ZINC000634611357 351540650 /nfs/dbraw/zinc/54/06/50/351540650.db2.gz STNBFIPYNHZHJU-HQJQHLMTSA-N -1 1 266.703 3.228 20 0 CGADMM CCc1c(=O)n(-c2cccc(C(=O)[O-])c2C)[nH]c1C(C)C ZINC000634633172 351553845 /nfs/dbraw/zinc/55/38/45/351553845.db2.gz MKIJBMGAKPNTRF-LLVKDONJSA-N -1 1 288.347 3.078 20 0 CGADMM CCC(CC)N(CC)C(=O)c1cc(F)ccc1[O-] ZINC000292166282 198188575 /nfs/dbraw/zinc/18/85/75/198188575.db2.gz NVNBCFCBDUYHKH-UHFFFAOYSA-N -1 1 253.317 3.182 20 0 CGADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000154973505 188174068 /nfs/dbraw/zinc/17/40/68/188174068.db2.gz BDKLBFZYIGHPPZ-KGLIPLIRSA-N -1 1 297.395 3.325 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](Cc2ccccc2)C1 ZINC000154924151 188171277 /nfs/dbraw/zinc/17/12/77/188171277.db2.gz NVMVUFSRCCWYQL-AWEZNQCLSA-N -1 1 299.345 3.236 20 0 CGADMM CC(C)CN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271879963 191386673 /nfs/dbraw/zinc/38/66/73/191386673.db2.gz QHKWOIBAGSEMBS-UHFFFAOYSA-N -1 1 275.270 3.139 20 0 CGADMM CCC1(CC)CN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000294488031 199059927 /nfs/dbraw/zinc/05/99/27/199059927.db2.gz RUOGACHUHDIUIP-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C)c(F)c2)o1 ZINC000426784331 236313631 /nfs/dbraw/zinc/31/36/31/236313631.db2.gz QOYZFGLACCBCRR-CQSZACIVSA-N -1 1 291.322 3.341 20 0 CGADMM Cc1ccc(F)cc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000426798449 236315486 /nfs/dbraw/zinc/31/54/86/236315486.db2.gz IXPHKYVRRVQRRQ-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM CC(C)[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000336182998 213002409 /nfs/dbraw/zinc/00/24/09/213002409.db2.gz QEDKNRHSGSDELT-LLVKDONJSA-N -1 1 291.420 3.265 20 0 CGADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccccc1 ZINC000436163621 237034687 /nfs/dbraw/zinc/03/46/87/237034687.db2.gz RMJMEHZFLYTFNK-UHFFFAOYSA-N -1 1 286.356 3.277 20 0 CGADMM Cc1nc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])nc1C ZINC000436784783 237182635 /nfs/dbraw/zinc/18/26/35/237182635.db2.gz BQPWWFMBTXDAOD-UHFFFAOYSA-N -1 1 291.738 3.013 20 0 CGADMM CCn1c2ccccc2nc1NC(=O)c1cc(F)ccc1[O-] ZINC000436757773 237174205 /nfs/dbraw/zinc/17/42/05/237174205.db2.gz WYJKJFGVZCSHGO-UHFFFAOYSA-N -1 1 299.305 3.153 20 0 CGADMM Cc1noc(C)c1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436789061 237180552 /nfs/dbraw/zinc/18/05/52/237180552.db2.gz BWHOTMDFNRJLJA-UHFFFAOYSA-N -1 1 282.299 3.403 20 0 CGADMM Cc1ccc([C@H](C)CNC(=O)c2c([O-])cccc2F)cc1 ZINC000436944656 237218014 /nfs/dbraw/zinc/21/80/14/237218014.db2.gz BZTXFKIQOZVUDB-GFCCVEGCSA-N -1 1 287.334 3.373 20 0 CGADMM O=C(N[C@@H]1CSc2ccccc21)c1c([O-])cccc1F ZINC000436945511 237215164 /nfs/dbraw/zinc/21/51/64/237215164.db2.gz AGNIVJVVSHCWAO-LLVKDONJSA-N -1 1 289.331 3.108 20 0 CGADMM CCC(CC)c1cc(C[N-]C(=O)C(F)(F)C(F)F)on1 ZINC000176900262 189013685 /nfs/dbraw/zinc/01/36/85/189013685.db2.gz XFUKEMMWZUCHMQ-UHFFFAOYSA-N -1 1 296.264 3.095 20 0 CGADMM C[C@H](CC1CC1)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451184795 240242629 /nfs/dbraw/zinc/24/26/29/240242629.db2.gz NMHSQDAUKDOJSG-SECBINFHSA-N -1 1 297.351 3.039 20 0 CGADMM CCCC1(C[N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000451312811 240271508 /nfs/dbraw/zinc/27/15/08/240271508.db2.gz LWEPSDCBFVWURH-UHFFFAOYSA-N -1 1 293.841 3.260 20 0 CGADMM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451576582 240329526 /nfs/dbraw/zinc/32/95/26/240329526.db2.gz UMYSTDQFUDLHLE-LBPRGKRZSA-N -1 1 297.351 3.039 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@]12C[C@@H]1CCC2 ZINC000335551777 212254400 /nfs/dbraw/zinc/25/44/00/212254400.db2.gz VSSAYTOQJQLFTC-SDBXPKJASA-N -1 1 251.713 3.174 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCC[C@H](F)C1 ZINC000335515382 212201698 /nfs/dbraw/zinc/20/16/98/212201698.db2.gz RAKQSBJXOYJTRI-SFYZADRCSA-N -1 1 273.254 3.137 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1F)c1ccccc1[O-] ZINC000019838420 368770233 /nfs/dbraw/zinc/77/02/33/368770233.db2.gz NTOSDHISAOZWAF-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM O=C(Nc1cccc2[nH]ccc21)c1ccccc1[O-] ZINC000034155272 368972078 /nfs/dbraw/zinc/97/20/78/368972078.db2.gz OSKXWFGWDWCLBM-UHFFFAOYSA-N -1 1 252.273 3.126 20 0 CGADMM CC(C)c1ccc2nc(-c3ccco3)[n-]c(=O)c2c1 ZINC000057771925 369546695 /nfs/dbraw/zinc/54/66/95/369546695.db2.gz NZSZBEPRFMUFIF-UHFFFAOYSA-N -1 1 254.289 3.307 20 0 CGADMM CC(C)(C)c1nnc([N-]C(=O)c2sccc2F)s1 ZINC000336431247 213292216 /nfs/dbraw/zinc/29/22/16/213292216.db2.gz QVXLIBRIAKDRPF-UHFFFAOYSA-N -1 1 285.369 3.289 20 0 CGADMM CCc1cc(=O)[n-]c(SC/C=C\c2ccccc2)n1 ZINC000097572374 370247220 /nfs/dbraw/zinc/24/72/20/370247220.db2.gz KHENRKMKUYDQMM-TWGQIWQCSA-N -1 1 272.373 3.138 20 0 CGADMM O=C([O-])CC[C@H]1CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000097903984 370256158 /nfs/dbraw/zinc/25/61/58/370256158.db2.gz BJNUXTLSHIGLBC-LLVKDONJSA-N -1 1 283.318 3.042 20 0 CGADMM CC[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000130805280 371060696 /nfs/dbraw/zinc/06/06/96/371060696.db2.gz VCTWNFGVKVLYEO-VIFPVBQESA-N -1 1 298.180 3.027 20 0 CGADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000134614887 371354809 /nfs/dbraw/zinc/35/48/09/371354809.db2.gz HMVKQEOMNLBTEW-UHFFFAOYSA-N -1 1 297.763 3.155 20 0 CGADMM COc1cc(C(=O)N2[C@H](C)CC[C@@H]2C)cc(Cl)c1[O-] ZINC000135174174 371398556 /nfs/dbraw/zinc/39/85/56/371398556.db2.gz UMXBGUSXPWWGDL-DTORHVGOSA-N -1 1 283.755 3.067 20 0 CGADMM CN(C(=O)C(=O)c1ccc([O-])cc1)C1CCC(C)(C)CC1 ZINC000287926071 371719214 /nfs/dbraw/zinc/71/92/14/371719214.db2.gz PNRZLROOUVAAKK-UHFFFAOYSA-N -1 1 289.375 3.002 20 0 CGADMM COc1c(F)cc(NC(=O)c2ccc([O-])cc2F)cc1F ZINC000154813345 371881493 /nfs/dbraw/zinc/88/14/93/371881493.db2.gz VPZFYRNHZXHHDS-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000154957590 371893868 /nfs/dbraw/zinc/89/38/68/371893868.db2.gz JRFTWVQADOIGJM-RYUDHWBXSA-N -1 1 287.334 3.453 20 0 CGADMM CC(C)N(CCC(=O)[O-])Cc1csc(-c2ccco2)n1 ZINC000037596277 541865231 /nfs/dbraw/zinc/86/52/31/541865231.db2.gz BUJMTIHNSLZGGZ-UHFFFAOYSA-N -1 1 294.376 3.088 20 0 CGADMM CO[C@@H]1CCCC[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000293085276 372296094 /nfs/dbraw/zinc/29/60/94/372296094.db2.gz DLQHXPUHMAWAIO-ZWNOBZJWSA-N -1 1 292.310 3.254 20 0 CGADMM Cc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])cc2)o1 ZINC000050920618 541875814 /nfs/dbraw/zinc/87/58/14/541875814.db2.gz CSOKIXNCDXSZQF-LLVKDONJSA-N -1 1 259.305 3.137 20 0 CGADMM CCc1nocc1CN(C)Cc1cccc([O-])c1Cl ZINC000293583844 372417041 /nfs/dbraw/zinc/41/70/41/372417041.db2.gz HWMVDOFODQUFKT-UHFFFAOYSA-N -1 1 280.755 3.228 20 0 CGADMM C[N@@H+](Cc1cccc(O)c1Cl)C1CCC(CO)CC1 ZINC000293998988 372550897 /nfs/dbraw/zinc/55/08/97/372550897.db2.gz SQMZIVDQSWZYKG-UHFFFAOYSA-N -1 1 283.799 3.029 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC(C2CCCCC2)C1 ZINC000294007906 372553084 /nfs/dbraw/zinc/55/30/84/372553084.db2.gz DJUXVDCATORJLN-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM CCC[C@@H]1CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000295365327 372752214 /nfs/dbraw/zinc/75/22/14/372752214.db2.gz NZVBRQXYNWVDBT-GFCCVEGCSA-N -1 1 269.772 3.047 20 0 CGADMM CC(C)[C@@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000444518113 373197151 /nfs/dbraw/zinc/19/71/51/373197151.db2.gz CDJCMPPDHLHQPV-LLVKDONJSA-N -1 1 265.328 3.040 20 0 CGADMM Cc1nnc(-c2cccc(NC(=O)c3ccccc3[O-])c2)o1 ZINC000174362606 373301376 /nfs/dbraw/zinc/30/13/76/373301376.db2.gz ZGUUDUXGBBYANF-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM CCc1nc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])cs1 ZINC000175228514 373433952 /nfs/dbraw/zinc/43/39/52/373433952.db2.gz NDMOBYMKQFTTOS-MRVPVSSYSA-N -1 1 294.351 3.041 20 0 CGADMM O=C([N-]c1nncs1)c1ccc(Oc2ccccc2)o1 ZINC000176112450 373557392 /nfs/dbraw/zinc/55/73/92/373557392.db2.gz JNXYTQONNPRKKS-UHFFFAOYSA-N -1 1 287.300 3.176 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000436841261 296206385 /nfs/dbraw/zinc/20/63/85/296206385.db2.gz YKSXTYJKRYVUKI-CABZTGNLSA-N -1 1 299.292 3.426 20 0 CGADMM O=c1nc(CN2CCC[C@@H](C3CC3)C2)[n-]c2ccsc21 ZINC000289507555 197382441 /nfs/dbraw/zinc/38/24/41/197382441.db2.gz UVIIJNYNLMGTOC-LLVKDONJSA-N -1 1 289.404 3.019 20 0 CGADMM COc1ccc([C@H](C)N=c2[n-]c(C(C)=O)c(C)s2)cc1 ZINC000450290634 374043894 /nfs/dbraw/zinc/04/38/94/374043894.db2.gz WXDTWOMBHSUAAN-VIFPVBQESA-N -1 1 290.388 3.258 20 0 CGADMM O=C(CCCC(=O)C1CC1)Nc1ccc([O-])c(Cl)c1 ZINC000450294761 374044928 /nfs/dbraw/zinc/04/49/28/374044928.db2.gz RFWZIIBYGOXLFM-UHFFFAOYSA-N -1 1 281.739 3.134 20 0 CGADMM Cc1nc2cc(NC(=O)c3ccc([O-])cc3F)ccc2o1 ZINC000181081949 374076466 /nfs/dbraw/zinc/07/64/66/374076466.db2.gz SDLCHLZOKPMZHC-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM Cc1ncsc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289504977 197381054 /nfs/dbraw/zinc/38/10/54/197381054.db2.gz LBMUZHTZCRVWDT-UHFFFAOYSA-N -1 1 289.332 3.177 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456278675 296210015 /nfs/dbraw/zinc/21/00/15/296210015.db2.gz LRTKOUUIXVOODM-HIFRSBDPSA-N -1 1 291.778 3.306 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000336147253 296210061 /nfs/dbraw/zinc/21/00/61/296210061.db2.gz HRQKLHIASAONPM-CABZTGNLSA-N -1 1 265.740 3.060 20 0 CGADMM C[C@H]1SCC[N@@H+](CCCCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000181566456 374142067 /nfs/dbraw/zinc/14/20/67/374142067.db2.gz QCQNMASVYOGGHA-CJNGLKHVSA-N -1 1 293.432 3.420 20 0 CGADMM O=C(NC1CCc2ccccc2CC1)c1ccc([O-])cc1F ZINC000456462958 374548470 /nfs/dbraw/zinc/54/84/70/374548470.db2.gz SSDILAQNIPARAC-UHFFFAOYSA-N -1 1 299.345 3.209 20 0 CGADMM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1cncc([O-])c1 ZINC000334228631 206222222 /nfs/dbraw/zinc/22/22/22/206222222.db2.gz HCWAFQQIGJFBNY-HIFRSBDPSA-N -1 1 296.370 3.196 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]4CC[C@@H]3O4)n2)c(Cl)c1 ZINC000333881393 374627368 /nfs/dbraw/zinc/62/73/68/374627368.db2.gz UOJLCYFADWLZMN-UISBYWKRSA-N -1 1 292.722 3.131 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1C(F)F ZINC000334241464 206242104 /nfs/dbraw/zinc/24/21/04/206242104.db2.gz PNESUOPTVZUZGW-CYBMUJFWSA-N -1 1 291.297 3.415 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC(C(F)(F)F)C1 ZINC000334541205 374838108 /nfs/dbraw/zinc/83/81/08/374838108.db2.gz GNKCTCKPYXPOHK-UHFFFAOYSA-N -1 1 295.260 3.180 20 0 CGADMM CCOc1cc(C(=O)N2CC[C@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000186849767 374927925 /nfs/dbraw/zinc/92/79/25/374927925.db2.gz RJYPJVNQMQMMDJ-VHSXEESVSA-N -1 1 297.782 3.315 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H](C)c2cccc(F)c2)n1 ZINC000188095570 375157490 /nfs/dbraw/zinc/15/74/90/375157490.db2.gz MZMFBKUJQKHYIW-SECBINFHSA-N -1 1 278.352 3.325 20 0 CGADMM CC1(C)CC[C@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335214850 375234878 /nfs/dbraw/zinc/23/48/78/375234878.db2.gz GQCKSIRKPQYSNB-QMMMGPOBSA-N -1 1 269.291 3.435 20 0 CGADMM CC(C)(C(=O)Nc1ccc([O-])c(F)c1F)C1CCC1 ZINC000335221406 375239920 /nfs/dbraw/zinc/23/99/20/375239920.db2.gz YNAUOQPRLFMBGQ-UHFFFAOYSA-N -1 1 269.291 3.435 20 0 CGADMM O=C(NCc1cccc(Cl)c1)c1c(F)ccc([O-])c1F ZINC000335706862 375363695 /nfs/dbraw/zinc/36/36/95/375363695.db2.gz TZRJFFNXHKSPFW-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM COc1cc(C(=O)NC2(C)CCCC2)cc(Cl)c1[O-] ZINC000335718671 375373716 /nfs/dbraw/zinc/37/37/16/375373716.db2.gz VJVVHBHRLAKANL-UHFFFAOYSA-N -1 1 283.755 3.117 20 0 CGADMM CC(=O)c1ccc(C(=O)[N-]c2c(F)cccc2F)o1 ZINC000335768012 375414705 /nfs/dbraw/zinc/41/47/05/375414705.db2.gz WLENJCJEBPVGFS-UHFFFAOYSA-N -1 1 265.215 3.013 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O ZINC000504660731 375654522 /nfs/dbraw/zinc/65/45/22/375654522.db2.gz HKJXKKUMXGXOLO-LBPRGKRZSA-N -1 1 250.729 3.479 20 0 CGADMM CSC1(c2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000336158109 375735469 /nfs/dbraw/zinc/73/54/69/375735469.db2.gz OUMDQAWPVGCCJH-UHFFFAOYSA-N -1 1 282.752 3.448 20 0 CGADMM O=C(CCCc1ccccn1)Nc1ccc([O-])c(Cl)c1 ZINC000129550670 542057068 /nfs/dbraw/zinc/05/70/68/542057068.db2.gz KTDXVCHSEAJIMP-UHFFFAOYSA-N -1 1 290.750 3.402 20 0 CGADMM C[C@@H](c1cc(Cl)ccc1Cl)N1CC[C@@H](C(=O)[O-])C1 ZINC000226445441 376360344 /nfs/dbraw/zinc/36/03/44/376360344.db2.gz JWPNUVWJDXVWIL-DTWKUNHWSA-N -1 1 288.174 3.461 20 0 CGADMM C[C@@H]1CC(Sc2nc(C(F)F)cc(=O)[n-]2)C[C@@H](C)O1 ZINC000338570493 376434043 /nfs/dbraw/zinc/43/40/43/376434043.db2.gz CJHXYTOQPASNGF-RNFRBKRXSA-N -1 1 290.335 3.168 20 0 CGADMM Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(O)c1 ZINC000235982838 376658166 /nfs/dbraw/zinc/65/81/66/376658166.db2.gz CRKGFBBGIOJRBP-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM COCc1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)cc1 ZINC000340089326 376913866 /nfs/dbraw/zinc/91/38/66/376913866.db2.gz DZKIIXLQMMMLPS-UHFFFAOYSA-N -1 1 280.327 3.045 20 0 CGADMM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000560028836 377117150 /nfs/dbraw/zinc/11/71/50/377117150.db2.gz WCMFDDKPUYJYTA-UHFFFAOYSA-N -1 1 293.791 3.192 20 0 CGADMM COc1cc(C(=O)N[C@@H]2CC23CCCC3)cc(Cl)c1[O-] ZINC000562925533 377373716 /nfs/dbraw/zinc/37/37/16/377373716.db2.gz XQLHWOKNDNEGJB-GFCCVEGCSA-N -1 1 295.766 3.117 20 0 CGADMM [O-]c1c(-c2nc([C@H]3CCOC3)no2)ccc2ccccc21 ZINC000087810127 249024318 /nfs/dbraw/zinc/02/43/18/249024318.db2.gz XJYQKNMEQKQDDR-NSHDSACASA-N -1 1 282.299 3.099 20 0 CGADMM CCSCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000312388356 249080790 /nfs/dbraw/zinc/08/07/90/249080790.db2.gz KOOQCPMWEYGBSR-UHFFFAOYSA-N -1 1 289.400 3.418 20 0 CGADMM CO[C@@H](C)c1nc(=NC2CCC(C(C)C)CC2)s[n-]1 ZINC000509545304 249178408 /nfs/dbraw/zinc/17/84/08/249178408.db2.gz RTQMVURDQXPULS-UNXYVOJBSA-N -1 1 283.441 3.294 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)s1 ZINC000342789139 377793005 /nfs/dbraw/zinc/79/30/05/377793005.db2.gz ZPHPZBZJIIPOAN-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM Cc1cc2cc(CN3CCCC[C@H]3C(=O)[O-])oc2cc1C ZINC000263424323 377935465 /nfs/dbraw/zinc/93/54/65/377935465.db2.gz PYKUWNASDVIWPW-HNNXBMFYSA-N -1 1 287.359 3.489 20 0 CGADMM O=C([O-])C1CN(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000263462638 377939482 /nfs/dbraw/zinc/93/94/82/377939482.db2.gz CCKVHWJZCMAYCT-UHFFFAOYSA-N -1 1 291.734 3.116 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1Cl ZINC000343884096 378123780 /nfs/dbraw/zinc/12/37/80/378123780.db2.gz CGLJFZBGTYWIBS-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM C[C@@H]1CO[C@@H](c2ccccc2)CN1CCCCCC(=O)[O-] ZINC000582186496 378291182 /nfs/dbraw/zinc/29/11/82/378291182.db2.gz DSGOSJJMHWEFDI-GDBMZVCRSA-N -1 1 291.391 3.093 20 0 CGADMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C(C)C ZINC000271900817 378512329 /nfs/dbraw/zinc/51/23/29/378512329.db2.gz WKHCIRSMPNEUKQ-UHFFFAOYSA-N -1 1 275.270 3.282 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H]1C ZINC000271982675 378535611 /nfs/dbraw/zinc/53/56/11/378535611.db2.gz JWDWONYRJYLMCD-DTORHVGOSA-N -1 1 287.281 3.139 20 0 CGADMM COCC[C@@H]([N-]c1nc(C(C)C)no1)c1ccc(C)o1 ZINC000272270897 378601052 /nfs/dbraw/zinc/60/10/52/378601052.db2.gz WNLQGJORTZZPFH-LLVKDONJSA-N -1 1 279.340 3.284 20 0 CGADMM CC1(C)C(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1(C)C ZINC000348065423 378774502 /nfs/dbraw/zinc/77/45/02/378774502.db2.gz ZHBGCMCXKAGTHO-UHFFFAOYSA-N -1 1 299.374 3.403 20 0 CGADMM O=C([N-]c1cc(F)cc(F)c1F)c1ncc(F)cc1F ZINC000348118158 378798675 /nfs/dbraw/zinc/79/86/75/378798675.db2.gz FMBTXWIFHZNUFP-UHFFFAOYSA-N -1 1 288.175 3.029 20 0 CGADMM Cc1cc(C(=O)[N-]c2nc(C)ns2)c(C(F)(F)F)o1 ZINC000274629280 378864894 /nfs/dbraw/zinc/86/48/94/378864894.db2.gz YSCQGLDBSVCBRP-UHFFFAOYSA-N -1 1 291.254 3.019 20 0 CGADMM CC(C)(C)c1nsc([N-]C(=O)c2ccoc2Cl)n1 ZINC000277611578 379199835 /nfs/dbraw/zinc/19/98/35/379199835.db2.gz VSUAHKFZEKPUTM-UHFFFAOYSA-N -1 1 285.756 3.334 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2cnoc2C2CC2)[n-]1 ZINC000277810637 379239114 /nfs/dbraw/zinc/23/91/14/379239114.db2.gz XDLWFKRHLPXHPG-UHFFFAOYSA-N -1 1 289.360 3.217 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CC=CCC3)n2)cc1F ZINC000278221912 379322332 /nfs/dbraw/zinc/32/23/32/379322332.db2.gz QZLOJVCANVYNTJ-SECBINFHSA-N -1 1 260.268 3.405 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CCCCO3)n2)c(Cl)c1 ZINC000278181698 379309892 /nfs/dbraw/zinc/30/98/92/379309892.db2.gz OJGWEYTWUFLYFB-NSHDSACASA-N -1 1 280.711 3.337 20 0 CGADMM C[C@@]1(c2nc(-c3ccc([O-])cc3Cl)no2)CCCO1 ZINC000350812580 379589283 /nfs/dbraw/zinc/58/92/83/379589283.db2.gz GVJLCVFNOQDAOQ-ZDUSSCGKSA-N -1 1 280.711 3.121 20 0 CGADMM CCC[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])OC ZINC000378722125 379855247 /nfs/dbraw/zinc/85/52/47/379855247.db2.gz CAXLQBLYZWCHKM-AWEZNQCLSA-N -1 1 287.359 3.090 20 0 CGADMM COC(=O)c1c[n-]c(SCc2cnc3ccccc3c2)n1 ZINC000347781922 218354316 /nfs/dbraw/zinc/35/43/16/218354316.db2.gz VFMNDABLYBRALM-UHFFFAOYSA-N -1 1 299.355 3.037 20 0 CGADMM CC1(C)CCC[C@@H]1CN=c1nc(C(F)(F)F)[n-]s1 ZINC000389009564 379891109 /nfs/dbraw/zinc/89/11/09/379891109.db2.gz SEKVSWQUGOHDNI-SSDOTTSWSA-N -1 1 279.331 3.217 20 0 CGADMM CCC[C@@]1(C)CCCN(C(=O)c2ncc(C)cc2[O-])C1 ZINC000408224151 379999735 /nfs/dbraw/zinc/99/97/35/379999735.db2.gz NPHSXOIDFOJUIT-INIZCTEOSA-N -1 1 276.380 3.138 20 0 CGADMM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000408371528 380007775 /nfs/dbraw/zinc/00/77/75/380007775.db2.gz YRQQBENBECGELP-QWHCGFSZSA-N -1 1 276.380 3.136 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)C[C@@H]3C=CCC3)[nH][n-]2)s1 ZINC000354785793 380555555 /nfs/dbraw/zinc/55/55/55/380555555.db2.gz DQVDZOVAQRSUQP-LLVKDONJSA-N -1 1 287.388 3.163 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H](C2CCC2)C2CCCC2)s[n-]1 ZINC000645334348 380653046 /nfs/dbraw/zinc/65/30/46/380653046.db2.gz VCXGNCZUBXEKHT-MFKMUULPSA-N -1 1 295.452 3.438 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1C ZINC000360229893 381491499 /nfs/dbraw/zinc/49/14/99/381491499.db2.gz HFBJCPOUFHPSPN-UHFFFAOYSA-N -1 1 267.375 3.166 20 0 CGADMM CCc1nc(C)c(C(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000335311731 208163256 /nfs/dbraw/zinc/16/32/56/208163256.db2.gz DISCRYIEUKWSJC-UHFFFAOYSA-N -1 1 280.711 3.157 20 0 CGADMM CC[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289373406 197317818 /nfs/dbraw/zinc/31/78/18/197317818.db2.gz LUFIQNUSXIEEIA-NXEZZACHSA-N -1 1 283.318 3.369 20 0 CGADMM Cc1cnc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2)c([O-])c1 ZINC000343633530 542501886 /nfs/dbraw/zinc/50/18/86/542501886.db2.gz TZMAEVVRKLKFDD-HIFRSBDPSA-N -1 1 296.370 3.319 20 0 CGADMM C[C@H](Nc1ccnc2cc(C(F)(F)F)ccc21)C(=O)[O-] ZINC000347229923 542511420 /nfs/dbraw/zinc/51/14/20/542511420.db2.gz IYVPAKGAPFBBEM-ZETCQYMHSA-N -1 1 284.237 3.139 20 0 CGADMM C[C@@H](c1ccc(F)c(Cl)c1)N1CCC(C(=O)[O-])CC1 ZINC000086727732 224511412 /nfs/dbraw/zinc/51/14/12/224511412.db2.gz KMUOKVDFYSOMPY-VIFPVBQESA-N -1 1 285.746 3.337 20 0 CGADMM CC(C)CCO[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182864803 260063848 /nfs/dbraw/zinc/06/38/48/260063848.db2.gz WKSRGKSMJPZWFR-SNVBAGLBSA-N -1 1 285.771 3.435 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])[C@H]1C ZINC000177000233 392659193 /nfs/dbraw/zinc/65/91/93/392659193.db2.gz YDUYLGRZTHDRBA-NEPJUHHUSA-N -1 1 269.344 3.416 20 0 CGADMM CCCC[C@H](N=c1nc([C@@H](C)OC)[n-]s1)C1CCC1 ZINC000509578142 392759240 /nfs/dbraw/zinc/75/92/40/392759240.db2.gz FKCMLDIRJYIQBL-PWSUYJOCSA-N -1 1 283.441 3.438 20 0 CGADMM CCC1(CN=c2nc([C@@H](C)OC)[n-]s2)CCCCC1 ZINC000509619874 392761245 /nfs/dbraw/zinc/76/12/45/392761245.db2.gz PKEFOXWEWFCZOB-LLVKDONJSA-N -1 1 283.441 3.440 20 0 CGADMM CO[C@@H](C)c1nc(=NCCCC2CCCCC2)s[n-]1 ZINC000509663547 392765934 /nfs/dbraw/zinc/76/59/34/392765934.db2.gz KCCVWEQXMNQQSY-NSHDSACASA-N -1 1 283.441 3.440 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H]2CCc3ccc(F)cc32)n1 ZINC000195057678 392953793 /nfs/dbraw/zinc/95/37/93/392953793.db2.gz QYJDTWVYGPBITK-ZDUSSCGKSA-N -1 1 290.363 3.251 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2c([O-])cccc2F)o1 ZINC000548122111 393176549 /nfs/dbraw/zinc/17/65/49/393176549.db2.gz AWBHEWIBQCDEEB-ONGXEEELSA-N -1 1 289.306 3.178 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c([O-])c1 ZINC000547646897 393134561 /nfs/dbraw/zinc/13/45/61/393134561.db2.gz LGMNAEWHMHJVJK-OAHLLOKOSA-N -1 1 296.370 3.245 20 0 CGADMM O=C(NC[C@@H]1CC12CC2)c1cc2ccccc2cc1[O-] ZINC000416064565 393239081 /nfs/dbraw/zinc/23/90/81/393239081.db2.gz QWRWUVLAXNRODF-ZDUSSCGKSA-N -1 1 267.328 3.075 20 0 CGADMM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2cncc([O-])c2)C1 ZINC000649066561 393342151 /nfs/dbraw/zinc/34/21/51/393342151.db2.gz JIUMJQHUSHPTIT-WFASDCNBSA-N -1 1 288.391 3.076 20 0 CGADMM CC(C)(C)c1cc([N-]S(=O)(=O)CCC2CCCC2)n[nH]1 ZINC000649581352 393499127 /nfs/dbraw/zinc/49/91/27/393499127.db2.gz MQTKMEHNKRHKDD-UHFFFAOYSA-N -1 1 299.440 3.029 20 0 CGADMM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000360887797 393608042 /nfs/dbraw/zinc/60/80/42/393608042.db2.gz LGRYAOKSKLWVIV-VHSXEESVSA-N -1 1 291.363 3.068 20 0 CGADMM Cc1oc(-c2ccsc2)nc1CN(C)CCCC(=O)[O-] ZINC000430658292 393583582 /nfs/dbraw/zinc/58/35/82/393583582.db2.gz IWVSWQFBPXTBNU-UHFFFAOYSA-N -1 1 294.376 3.008 20 0 CGADMM COC(=O)c1c[n-]c(SCC2CCCCCC2)n1 ZINC000432660714 393625961 /nfs/dbraw/zinc/62/59/61/393625961.db2.gz UWBJKAJWSWBJJU-UHFFFAOYSA-N -1 1 268.382 3.259 20 0 CGADMM O=C(/C=C\C1CCC1)Nc1ccc([O-])c(Cl)c1 ZINC000492487043 393742307 /nfs/dbraw/zinc/74/23/07/393742307.db2.gz HDEPOCZZZXOTNU-DAXSKMNVSA-N -1 1 251.713 3.340 20 0 CGADMM CCc1ccccc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000433102406 393687048 /nfs/dbraw/zinc/68/70/48/393687048.db2.gz QYDODJZYFWIYEA-UHFFFAOYSA-N -1 1 297.383 3.375 20 0 CGADMM CCCCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445453936 393795688 /nfs/dbraw/zinc/79/56/88/393795688.db2.gz DEVINDXGNZYBOM-UHFFFAOYSA-N -1 1 250.273 3.314 20 0 CGADMM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000501314980 393850263 /nfs/dbraw/zinc/85/02/63/393850263.db2.gz STNFFJOWZCHTBX-NSHDSACASA-N -1 1 273.307 3.349 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@@]2(C)CC(C)C)c([O-])c1 ZINC000452989991 394142272 /nfs/dbraw/zinc/14/22/72/394142272.db2.gz RWTZPJLRSMJQHT-INIZCTEOSA-N -1 1 276.380 3.136 20 0 CGADMM C[C@]12CN(C(=O)c3ccc([O-])cc3F)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000456979043 394304714 /nfs/dbraw/zinc/30/47/14/394304714.db2.gz JPNLEKOJQZYFGV-NDIKUOACSA-N -1 1 289.350 3.040 20 0 CGADMM CC(C)(C)C1CN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000457327499 394345851 /nfs/dbraw/zinc/34/58/51/394345851.db2.gz KIHIRJROGGDFIN-UHFFFAOYSA-N -1 1 267.756 3.164 20 0 CGADMM CC(C)(C)C1CN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000457330057 394346408 /nfs/dbraw/zinc/34/64/08/394346408.db2.gz OJZRTFAMCKFRLV-UHFFFAOYSA-N -1 1 267.756 3.164 20 0 CGADMM CC(C)N(C(=O)c1ncc2ccccc2c1[O-])C1CCC1 ZINC000669068002 543084107 /nfs/dbraw/zinc/08/41/07/543084107.db2.gz WINWGBJPNIGOLJ-UHFFFAOYSA-N -1 1 284.359 3.344 20 0 CGADMM CC(C)C1CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000669234330 543095333 /nfs/dbraw/zinc/09/53/33/543095333.db2.gz STWDHEJQDSOGTI-UHFFFAOYSA-N -1 1 298.386 3.449 20 0 CGADMM C[C@H]1CC[C@H](CC(=O)Nc2c([O-])cccc2F)C1 ZINC000675228277 543323395 /nfs/dbraw/zinc/32/33/95/543323395.db2.gz OETGGJPWKLRAEE-UWVGGRQHSA-N -1 1 251.301 3.296 20 0 CGADMM O=C(CCOc1ccccc1F)Nc1c([O-])cccc1F ZINC000677945283 543474287 /nfs/dbraw/zinc/47/42/87/543474287.db2.gz RTWNHCXNYAISTQ-UHFFFAOYSA-N -1 1 293.269 3.078 20 0 CGADMM O=C(Nc1ccc(C2CC2)cc1)c1ccc(O)cc1[O-] ZINC000678540174 543534229 /nfs/dbraw/zinc/53/42/29/543534229.db2.gz LEIAJIDZCJPHKR-UHFFFAOYSA-N -1 1 269.300 3.228 20 0 CGADMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084937053 287081550 /nfs/dbraw/zinc/08/15/50/287081550.db2.gz MQJLBSYAUBGCJV-GHMZBOCLSA-N -1 1 281.377 3.146 20 0 CGADMM O=C(NCC(C1CC1)C1CC1)c1cc(Cl)ccc1[O-] ZINC000088459119 287087051 /nfs/dbraw/zinc/08/70/51/287087051.db2.gz ZXCVKIVCBGJVNL-UHFFFAOYSA-N -1 1 279.767 3.212 20 0 CGADMM O=S(=O)(CCc1ccccc1Cl)c1ccc([O-])cc1 ZINC000069633459 165052781 /nfs/dbraw/zinc/05/27/81/165052781.db2.gz RBKZRZOPLCWNLD-UHFFFAOYSA-N -1 1 296.775 3.062 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000074842305 165094462 /nfs/dbraw/zinc/09/44/62/165094462.db2.gz PGRDHTONYMIHTL-UHFFFAOYSA-N -1 1 286.356 3.277 20 0 CGADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(Cl)cc1[O-] ZINC000124686761 287235921 /nfs/dbraw/zinc/23/59/21/287235921.db2.gz FPNANXQGYCLEPE-MWLCHTKSSA-N -1 1 267.756 3.449 20 0 CGADMM CCS(=O)(=O)[N-]c1cc(Cl)ccc1C(F)(F)F ZINC000285196586 196219111 /nfs/dbraw/zinc/21/91/11/196219111.db2.gz VWCJKLRPKFTAOL-UHFFFAOYSA-N -1 1 287.690 3.120 20 0 CGADMM O=C(Nc1nccc2sccc21)c1ccc([O-])cc1F ZINC000129013473 287322527 /nfs/dbraw/zinc/32/25/27/287322527.db2.gz VHIBJOZPNQGAHT-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM C[C@@H]1C[C@@H](C)CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000077320541 177252923 /nfs/dbraw/zinc/25/29/23/177252923.db2.gz VKXRJYMRTZQHPP-VHSXEESVSA-N -1 1 277.393 3.017 20 0 CGADMM C[C@H]1CN(Cc2ccc(F)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311433937 416531855 /nfs/dbraw/zinc/53/18/55/416531855.db2.gz GUHRSKBFDAJJLQ-CABZTGNLSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@H]1SCC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000313296548 416536594 /nfs/dbraw/zinc/53/65/94/416536594.db2.gz GSEQZDYIEXZROJ-QMTHXVAHSA-N -1 1 287.384 3.169 20 0 CGADMM C[C@@]1(CNC(=O)c2ccc(Cl)cc2[O-])CCCS1 ZINC000129477105 287332881 /nfs/dbraw/zinc/33/28/81/287332881.db2.gz CWSNKBVTXVRDLD-ZDUSSCGKSA-N -1 1 285.796 3.061 20 0 CGADMM CC[C@H]1CN(Cc2cccc([O-])c2Cl)[C@H](C)CO1 ZINC000403755404 416549311 /nfs/dbraw/zinc/54/93/11/416549311.db2.gz DDKQZXJALQTVCH-PWSUYJOCSA-N -1 1 269.772 3.045 20 0 CGADMM CCOc1cc(C(=O)N2CC(C(C)C)C2)cc(Cl)c1[O-] ZINC000680817454 543736453 /nfs/dbraw/zinc/73/64/53/543736453.db2.gz JQYHPVLJBAIKMH-UHFFFAOYSA-N -1 1 297.782 3.172 20 0 CGADMM O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([O-])c(F)c1 ZINC000681015938 543756359 /nfs/dbraw/zinc/75/63/59/543756359.db2.gz VNKDHGQQBROCEB-UHFFFAOYSA-N -1 1 289.350 3.230 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(F)cc1F ZINC000681016302 543756535 /nfs/dbraw/zinc/75/65/35/543756535.db2.gz MCQRSNMGIXYLBT-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM C[C@@H](c1ccccc1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681016474 543756757 /nfs/dbraw/zinc/75/67/57/543756757.db2.gz XWHQRZYECHLEKQ-NSHDSACASA-N -1 1 273.307 3.365 20 0 CGADMM O=C(NC1(c2ccccc2)CCC1)c1ccc([O-])c(F)c1 ZINC000681017457 543757473 /nfs/dbraw/zinc/75/74/73/543757473.db2.gz ZNZWVDAFXGBTNW-UHFFFAOYSA-N -1 1 285.318 3.341 20 0 CGADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681017246 543757731 /nfs/dbraw/zinc/75/77/31/543757731.db2.gz MANAJBDMVWOCCO-MFKMUULPSA-N -1 1 265.328 3.182 20 0 CGADMM C[C@@H](CNC(=O)c1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000681024042 543758711 /nfs/dbraw/zinc/75/87/11/543758711.db2.gz HHFFWHQOQYVUFU-JTQLQIEISA-N -1 1 291.297 3.204 20 0 CGADMM CC[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681039303 543759203 /nfs/dbraw/zinc/75/92/03/543759203.db2.gz KLLCXWXQEWKFRS-CQSZACIVSA-N -1 1 287.334 3.282 20 0 CGADMM C[C@@H]1Cc2ccccc2N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681041503 543759596 /nfs/dbraw/zinc/75/95/96/543759596.db2.gz LSBUUPAGHMGADL-LLVKDONJSA-N -1 1 285.318 3.370 20 0 CGADMM Cc1ccc2c(c1)N(C(=O)c1ccc([O-])c(F)c1)CC2 ZINC000681036910 543759778 /nfs/dbraw/zinc/75/97/78/543759778.db2.gz GRAULAYRXDIIBZ-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM C[C@H]1CCC[C@@H](CCNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681047173 543760808 /nfs/dbraw/zinc/76/08/08/543760808.db2.gz JIMGFVASPJIIKH-RYUDHWBXSA-N -1 1 279.355 3.478 20 0 CGADMM O=C(Nc1cccc(-c2ncco2)c1)c1ccc([O-])c(F)c1 ZINC000681058386 543762582 /nfs/dbraw/zinc/76/25/82/543762582.db2.gz NTKJZLVCURZGHB-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM Cc1ccncc1CN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000334977775 225382095 /nfs/dbraw/zinc/38/20/95/225382095.db2.gz QIUQCDTVPFHYTG-UHFFFAOYSA-N -1 1 290.750 3.021 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1coc(C2CC2)n1 ZINC000681637528 543798553 /nfs/dbraw/zinc/79/85/53/543798553.db2.gz NVTUKYGCVQPXDZ-UHFFFAOYSA-N -1 1 278.695 3.163 20 0 CGADMM CCc1ccccc1C(=O)Nc1c([O-])cccc1F ZINC000683415766 543913159 /nfs/dbraw/zinc/91/31/59/543913159.db2.gz QQHIAHGJZWNWII-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM O=c1cc(C2CC2)nc(S[C@H]2CCCCCC2=O)[n-]1 ZINC000683454274 543915868 /nfs/dbraw/zinc/91/58/68/543915868.db2.gz GXZRYOLXLBOMFA-LBPRGKRZSA-N -1 1 278.377 3.054 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cccc(N(C)C)c2)n1 ZINC000683454047 543915895 /nfs/dbraw/zinc/91/58/95/543915895.db2.gz AWUQYZRJNWOSEL-UHFFFAOYSA-N -1 1 289.404 3.103 20 0 CGADMM CCC(CC)c1nnc([N-]C(=O)c2nccs2)s1 ZINC000683534391 543922055 /nfs/dbraw/zinc/92/20/55/543922055.db2.gz LYFXUBWCCKUBAI-UHFFFAOYSA-N -1 1 282.394 3.151 20 0 CGADMM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000684526995 544011655 /nfs/dbraw/zinc/01/16/55/544011655.db2.gz KFSZMCQPJXNDBS-LBPRGKRZSA-N -1 1 279.355 3.430 20 0 CGADMM CCCCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868853 544035160 /nfs/dbraw/zinc/03/51/60/544035160.db2.gz HPQFYAWDVNFFPX-UHFFFAOYSA-N -1 1 275.270 3.331 20 0 CGADMM CCSCC[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000135393775 287469084 /nfs/dbraw/zinc/46/90/84/287469084.db2.gz GLKXBOKODLPAAB-VIFPVBQESA-N -1 1 287.812 3.307 20 0 CGADMM O=C(CC1(C(F)(F)F)CC1)Nc1ccc(F)cc1[O-] ZINC000354980778 227281568 /nfs/dbraw/zinc/28/15/68/227281568.db2.gz RQGABHJPLHDVJG-UHFFFAOYSA-N -1 1 277.217 3.202 20 0 CGADMM O=C([O-])[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)Cc2ccccc21 ZINC000652470484 418973168 /nfs/dbraw/zinc/97/31/68/418973168.db2.gz YWZZFFWIIKYNJT-KZNAEPCWSA-N -1 1 293.366 3.227 20 0 CGADMM CO[C@@H](c1nc(-c2ccc([O-])cc2F)no1)C1CCCC1 ZINC000664849162 419014174 /nfs/dbraw/zinc/01/41/74/419014174.db2.gz FCJZTQHIUWZWLD-CYBMUJFWSA-N -1 1 292.310 3.459 20 0 CGADMM CC(C)[C@@H](CN[C@@H](CCc1ccccc1)C(F)F)C(=O)[O-] ZINC000656097820 419140623 /nfs/dbraw/zinc/14/06/23/419140623.db2.gz BDWXNYVWORYHCA-KGLIPLIRSA-N -1 1 299.361 3.199 20 0 CGADMM CCc1cccc(OCCSc2ncc(C)c(=O)[n-]2)c1 ZINC000657261305 419239151 /nfs/dbraw/zinc/23/91/51/419239151.db2.gz GDFQDPDKJPJXKO-UHFFFAOYSA-N -1 1 290.388 3.224 20 0 CGADMM COc1ccc(Cl)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000192639434 228205458 /nfs/dbraw/zinc/20/54/58/228205458.db2.gz MMBRVJITNQWNGB-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM CCc1nc(SC[C@@H]2C[C@H]3C[C@H]3C2)[n-]c(=O)c1C ZINC000663247990 419529802 /nfs/dbraw/zinc/52/98/02/419529802.db2.gz JTTCAAWYXWJHOS-JGPRNRPPSA-N -1 1 264.394 3.191 20 0 CGADMM CO[C@](C)(CNC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000319601501 262248472 /nfs/dbraw/zinc/24/84/72/262248472.db2.gz WYDLWPYZIQBTOE-GOSISDBHSA-N -1 1 299.370 3.090 20 0 CGADMM CO[C@H](C)c1nc(=NCC(C)(C)CC(C)C)s[n-]1 ZINC000391169896 262385785 /nfs/dbraw/zinc/38/57/85/262385785.db2.gz YKLGDGYGJMLUAY-SNVBAGLBSA-N -1 1 271.430 3.152 20 0 CGADMM C[C@H](CC(F)(F)F)NC(=O)c1cc(Cl)ccc1[O-] ZINC000231753947 287644246 /nfs/dbraw/zinc/64/42/46/287644246.db2.gz BPCCXMSSRUEWGW-ZCFIWIBFSA-N -1 1 281.661 3.116 20 0 CGADMM Cc1nc(C)c(C(=O)Nc2ccc([O-])c(Cl)c2)nc1C ZINC000184002052 270056508 /nfs/dbraw/zinc/05/65/08/270056508.db2.gz AGSFGERAXFHAHY-UHFFFAOYSA-N -1 1 291.738 3.013 20 0 CGADMM O=C(NCC[C@H]1CC=CCC1)c1ccc([O-])c(F)c1 ZINC000529868887 270190331 /nfs/dbraw/zinc/19/03/31/270190331.db2.gz QZZZAHDFKRDBOF-NSHDSACASA-N -1 1 263.312 3.008 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cc(F)ccc2[O-])o1 ZINC000531190232 270205051 /nfs/dbraw/zinc/20/50/51/270205051.db2.gz PVDWXPZUHHVXEH-JOYOIKCWSA-N -1 1 289.306 3.178 20 0 CGADMM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000531485757 270207524 /nfs/dbraw/zinc/20/75/24/270207524.db2.gz PTVHXOYQSNNGCQ-WCQYABFASA-N -1 1 293.388 3.290 20 0 CGADMM CCOc1cc(C(=O)Nc2ccc(F)cc2[O-])ccc1C ZINC000532267196 270214823 /nfs/dbraw/zinc/21/48/23/270214823.db2.gz PWLFJRXBLPDTLI-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)oc1C ZINC000532610463 270217827 /nfs/dbraw/zinc/21/78/27/270217827.db2.gz OMSKYOAIUIYUPC-UHFFFAOYSA-N -1 1 297.314 3.244 20 0 CGADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2c(C)cccc2C)c1 ZINC000122899302 277079907 /nfs/dbraw/zinc/07/99/07/277079907.db2.gz UVZUZHMZKOFHTN-UHFFFAOYSA-N -1 1 298.342 3.220 20 0 CGADMM Cc1cc(C(=O)Nc2ccc([O-])c(F)c2F)nn1C(C)C ZINC000335218322 278653939 /nfs/dbraw/zinc/65/39/39/278653939.db2.gz QOWKWPJPYSJTNU-UHFFFAOYSA-N -1 1 295.289 3.009 20 0 CGADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530004015 288280788 /nfs/dbraw/zinc/28/07/88/288280788.db2.gz HPVJYSOWYZYNAO-NXEZZACHSA-N -1 1 251.301 3.152 20 0 CGADMM CC1(C)CCC[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530004119 288280791 /nfs/dbraw/zinc/28/07/91/288280791.db2.gz BHHIIMMCNQUJRS-SECBINFHSA-N -1 1 251.301 3.296 20 0 CGADMM CC[C@@H](C)n1ncc(C(=O)Nc2cccc(F)c2[O-])c1C ZINC000530004194 288280839 /nfs/dbraw/zinc/28/08/39/288280839.db2.gz CUMANHLPMGBQBN-SECBINFHSA-N -1 1 291.326 3.260 20 0 CGADMM CCC[C@@H](C(=O)Nc1cccc(F)c1[O-])c1ccccn1 ZINC000530004714 288281161 /nfs/dbraw/zinc/28/11/61/288281161.db2.gz FTTUIMQHRFEQCV-LLVKDONJSA-N -1 1 288.322 3.449 20 0 CGADMM CN(C(=O)c1ccc([O-])cc1F)[C@@H]1CCc2ccccc21 ZINC000181098697 288921837 /nfs/dbraw/zinc/92/18/37/288921837.db2.gz WURHDCKVJLZIEV-MRXNPFEDSA-N -1 1 285.318 3.291 20 0 CGADMM C[C@@H]1c2ccccc2CN1C(=O)c1c(F)ccc([O-])c1F ZINC000348853827 289079225 /nfs/dbraw/zinc/07/92/25/289079225.db2.gz SGLWDVLZKOUMQR-SECBINFHSA-N -1 1 289.281 3.387 20 0 CGADMM C[C@@H]1c2cccn2CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000193111870 289090730 /nfs/dbraw/zinc/09/07/30/289090730.db2.gz VSBQLYDUWNIYNG-SNVBAGLBSA-N -1 1 290.750 3.064 20 0 CGADMM C[C@@]1(F)CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000334572990 289185271 /nfs/dbraw/zinc/18/52/71/289185271.db2.gz LRTINWOIXDDGNJ-MRXNPFEDSA-N -1 1 273.307 3.120 20 0 CGADMM O=C([O-])[C@@H](NCc1ccc(F)cc1F)c1ccc(F)cc1 ZINC000557610704 289449801 /nfs/dbraw/zinc/44/98/01/289449801.db2.gz USVAXFGYMKUYKR-AWEZNQCLSA-N -1 1 295.260 3.019 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H](CC(F)(F)F)C(C)C)s[n-]1 ZINC000337943587 294344528 /nfs/dbraw/zinc/34/45/28/294344528.db2.gz MRICXSAVHMFFKK-HTQZYQBOSA-N -1 1 297.346 3.056 20 0 CGADMM Cc1cccc2c1CC(C)(C)N(C(=O)c1ncccc1[O-])C2 ZINC000332539463 302054993 /nfs/dbraw/zinc/05/49/93/302054993.db2.gz JZFOKEBQVNRZDN-UHFFFAOYSA-N -1 1 296.370 3.073 20 0 CGADMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cncc([O-])c2)C1 ZINC000131729930 302222500 /nfs/dbraw/zinc/22/25/00/302222500.db2.gz YQTFFSKIWADKMO-HIFRSBDPSA-N -1 1 296.370 3.114 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CC[C@@H]1C ZINC000153782002 321727055 /nfs/dbraw/zinc/72/70/55/321727055.db2.gz SEXDJHJHCOKDDR-UWVGGRQHSA-N -1 1 267.756 3.164 20 0 CGADMM CCN(Cc1cccs1)C(=O)c1ccc([O-])cc1F ZINC000154623642 321746950 /nfs/dbraw/zinc/74/69/50/321746950.db2.gz NACMSRAIKDKZCK-UHFFFAOYSA-N -1 1 279.336 3.255 20 0 CGADMM CCCC[C@H](C(=O)[O-])[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000565107997 322061102 /nfs/dbraw/zinc/06/11/02/322061102.db2.gz SWXDBYGLNBAZAU-UONOGXRCSA-N -1 1 295.379 3.206 20 0 CGADMM CCCC[C@H](C(=O)[O-])N1CCC[C@H]1c1ccc(COC)o1 ZINC000565107997 322061103 /nfs/dbraw/zinc/06/11/03/322061103.db2.gz SWXDBYGLNBAZAU-UONOGXRCSA-N -1 1 295.379 3.206 20 0 CGADMM CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cncc(C)c1 ZINC000565256071 322070771 /nfs/dbraw/zinc/07/07/71/322070771.db2.gz ZQLHNZDREGJIIN-QGZVFWFLSA-N -1 1 298.386 3.428 20 0 CGADMM Cc1oc([C@H](C)[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1C(=O)[O-] ZINC000568290985 322204211 /nfs/dbraw/zinc/20/42/11/322204211.db2.gz XLZAALKJKXQOLF-ORUWWINDSA-N -1 1 299.317 3.324 20 0 CGADMM CC(C)CO[C@@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000568829626 322223995 /nfs/dbraw/zinc/22/39/95/322223995.db2.gz MZUOMXGHKMVVCE-VIFPVBQESA-N -1 1 280.299 3.315 20 0 CGADMM O=C([O-])c1cnoc1CN1CCCCC[C@H]1c1ccco1 ZINC000569228866 322240068 /nfs/dbraw/zinc/24/00/68/322240068.db2.gz FFBLDTSUJQUZKQ-LBPRGKRZSA-N -1 1 290.319 3.083 20 0 CGADMM C[C@H]1c2ccccc2CCN1Cc1ccc(C(=O)[O-])o1 ZINC000570808580 322282904 /nfs/dbraw/zinc/28/29/04/322282904.db2.gz TVLNLJSGCVKWRN-NSHDSACASA-N -1 1 271.316 3.097 20 0 CGADMM Cc1ccc2c(c1)C[N@@H+]([C@@H](C(=O)[O-])c1ccccc1)CCO2 ZINC000571658542 322304423 /nfs/dbraw/zinc/30/44/23/322304423.db2.gz LPYVPZADVXOQGN-QGZVFWFLSA-N -1 1 297.354 3.015 20 0 CGADMM CCc1nc(SCc2ccc(OC)cc2)[n-]c(=O)c1C ZINC000572617854 322346873 /nfs/dbraw/zinc/34/68/73/322346873.db2.gz JYTCPOJADOMHKU-UHFFFAOYSA-N -1 1 290.388 3.354 20 0 CGADMM CC[C@@H]1CN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)CCS1 ZINC000572774122 322354136 /nfs/dbraw/zinc/35/41/36/322354136.db2.gz URWJOTDXYHOYAG-GXSJLCMTSA-N -1 1 283.393 3.175 20 0 CGADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1csc(C2CCCC2)n1 ZINC000580456723 330140962 /nfs/dbraw/zinc/14/09/62/330140962.db2.gz OECMNLZDDXHJTN-GXFFZTMASA-N -1 1 294.420 3.096 20 0 CGADMM CCCn1ccc2ccc(NC(=O)c3cncc([O-])c3)cc21 ZINC000175270350 335178562 /nfs/dbraw/zinc/17/85/62/335178562.db2.gz RKVXEEAQXSXQMR-UHFFFAOYSA-N -1 1 295.342 3.404 20 0 CGADMM CCc1nc(C)c(-c2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000350564119 335514364 /nfs/dbraw/zinc/51/43/64/335514364.db2.gz CXAZUAVMUXHMBY-UHFFFAOYSA-N -1 1 289.266 3.107 20 0 CGADMM COc1cc(-c2nc([C@@H]3C[C@H]3C)no2)cc(Cl)c1[O-] ZINC000350605242 335519899 /nfs/dbraw/zinc/51/98/99/335519899.db2.gz ZKRHGTUUGJUHFA-HTRCEHHLSA-N -1 1 280.711 3.228 20 0 CGADMM CCc1ncsc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350833134 335538296 /nfs/dbraw/zinc/53/82/96/335538296.db2.gz JCNSAIXSYBQMQW-UHFFFAOYSA-N -1 1 291.307 3.267 20 0 CGADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000579411323 335745448 /nfs/dbraw/zinc/74/54/48/335745448.db2.gz QLJDZAMXVPOOEU-UHFFFAOYSA-N -1 1 296.298 3.095 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2ccncc2Cl)[n-]1 ZINC000195081605 336044598 /nfs/dbraw/zinc/04/45/98/336044598.db2.gz QKFMVGCJILIHDM-UHFFFAOYSA-N -1 1 293.779 3.400 20 0 CGADMM CCC[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC000383763689 336117636 /nfs/dbraw/zinc/11/76/36/336117636.db2.gz ICLBNGNEMCJGIZ-UHFFFAOYSA-N -1 1 273.332 3.390 20 0 CGADMM CCCCN(CC(F)(F)F)C(=O)c1cc(F)ccc1[O-] ZINC000387151292 336186337 /nfs/dbraw/zinc/18/63/37/336186337.db2.gz YOHGTCCWSXSSCE-UHFFFAOYSA-N -1 1 293.260 3.336 20 0 CGADMM Cc1cc(C)cc([C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436667558 534089393 /nfs/dbraw/zinc/08/93/93/534089393.db2.gz ZEDVYTZYYIJYFO-ZDUSSCGKSA-N -1 1 297.354 3.069 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)CCCC(C)(C)C)c1 ZINC000436502971 534230715 /nfs/dbraw/zinc/23/07/15/534230715.db2.gz IUYNHTOXMWKVCP-UHFFFAOYSA-N -1 1 293.363 3.334 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc(C)c2C)c1 ZINC000436501945 534231502 /nfs/dbraw/zinc/23/15/02/534231502.db2.gz BTCHAHRUCYUQEE-UHFFFAOYSA-N -1 1 299.326 3.048 20 0 CGADMM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1ccc([O-])cc1F ZINC000412472884 534590092 /nfs/dbraw/zinc/59/00/92/534590092.db2.gz JEYLBQXPTBWZAR-WCQYABFASA-N -1 1 277.339 3.087 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCc2ccncc21 ZINC000436990235 534672567 /nfs/dbraw/zinc/67/25/67/534672567.db2.gz URLZVKZLLFLMGK-UHFFFAOYSA-N -1 1 290.322 3.143 20 0 CGADMM O=C(Cc1ccccc1F)Nc1ccc([O-])c(Cl)c1 ZINC000067738915 527290817 /nfs/dbraw/zinc/29/08/17/527290817.db2.gz PERZKOHKSUAOQK-UHFFFAOYSA-N -1 1 279.698 3.366 20 0 CGADMM CC(C)[C@H]1C[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436879342 527887093 /nfs/dbraw/zinc/88/70/93/527887093.db2.gz MHEGCDDUXZRGOI-GHMZBOCLSA-N -1 1 262.284 3.341 20 0 CGADMM CC(C)c1cnc(NC(=O)c2cc(F)ccc2[O-])s1 ZINC000436592389 528224463 /nfs/dbraw/zinc/22/44/63/528224463.db2.gz UWQHVTZNKDHWHZ-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM CCC1(CC)CN(C(=O)c2ccc([O-])cc2F)CCS1 ZINC000436799885 529077268 /nfs/dbraw/zinc/07/72/68/529077268.db2.gz GTZLGIINSYLBEI-UHFFFAOYSA-N -1 1 297.395 3.279 20 0 CGADMM CC(C)[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000436832329 529109074 /nfs/dbraw/zinc/10/90/74/529109074.db2.gz UVIHGVSYUGBDQD-JTQLQIEISA-N -1 1 295.688 3.362 20 0 CGADMM O=C([O-])CCCCN1CCn2cccc2[C@H]1c1ccccc1 ZINC000738573855 571876689 /nfs/dbraw/zinc/87/66/89/571876689.db2.gz CFRQGGHDGGVDCW-GOSISDBHSA-N -1 1 298.386 3.148 20 0 CGADMM COc1ccc2nc(-c3ccc(C(C)C)nc3)[n-]c(=O)c2c1 ZINC000183885342 572350239 /nfs/dbraw/zinc/35/02/39/572350239.db2.gz HNBVPHKIIPCOOK-UHFFFAOYSA-N -1 1 295.342 3.117 20 0 CGADMM C[C@@H](c1ccccc1Cl)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737720853 572382155 /nfs/dbraw/zinc/38/21/55/572382155.db2.gz KXMYIKAVBKMSCH-NSHDSACASA-N -1 1 296.798 3.475 20 0 CGADMM CC(C)[C@@H](NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000061680981 598193839 /nfs/dbraw/zinc/19/38/39/598193839.db2.gz XXWFSWIVWSQRCE-CQSZACIVSA-N -1 1 290.388 3.009 20 0 CGADMM Cn1cccc1[C@@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC000833058364 601119009 /nfs/dbraw/zinc/11/90/09/601119009.db2.gz DDDGKSGBEZCORB-AWEZNQCLSA-N -1 1 288.347 3.044 20 0 CGADMM CCN(C/C=C(\C)C(=O)[O-])Cc1ccccc1Cl ZINC000829692369 601156764 /nfs/dbraw/zinc/15/67/64/601156764.db2.gz HSMHCMCOLAFMIY-DHZHZOJOSA-N -1 1 267.756 3.193 20 0 CGADMM O=C([O-])c1ccc(CN2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000833312867 601183393 /nfs/dbraw/zinc/18/33/93/601183393.db2.gz INSKFIVDIWTPER-MRXNPFEDSA-N -1 1 285.318 3.471 20 0 CGADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000050508374 601511036 /nfs/dbraw/zinc/51/10/36/601511036.db2.gz WOBRHNUPFMISKH-MEBBXXQBSA-N -1 1 291.297 3.441 20 0 CGADMM CN(Cc1ccsc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234288180 601614487 /nfs/dbraw/zinc/61/44/87/601614487.db2.gz VMQKZILVBPEBCV-UHFFFAOYSA-N -1 1 279.336 3.217 20 0 CGADMM O=C([O-])c1sccc1CN1CC[C@H]1c1ccccc1 ZINC000833347364 601829585 /nfs/dbraw/zinc/82/95/85/601829585.db2.gz AHVHOSCNSJJVSY-ZDUSSCGKSA-N -1 1 273.357 3.393 20 0 CGADMM O=C([O-])c1ccc(CN2CC[C@H]2c2ccccc2)s1 ZINC000833313454 601958032 /nfs/dbraw/zinc/95/80/32/601958032.db2.gz VPJKYJFCODHFDK-ZDUSSCGKSA-N -1 1 273.357 3.393 20 0 CGADMM C[C@H](C(=O)[O-])[C@H](NC/C(Cl)=C\Cl)c1ccccc1 ZINC000826055015 602046419 /nfs/dbraw/zinc/04/64/19/602046419.db2.gz URTQWZHSAANQKQ-BSXQHEMOSA-N -1 1 288.174 3.357 20 0 CGADMM Cc1[n-]n(-c2ccc(Cl)cc2F)c(=O)c1C1CC1 ZINC000899360878 620666108 /nfs/dbraw/zinc/66/61/08/620666108.db2.gz PTFHURGCWBCQTN-GFCCVEGCSA-N -1 1 266.703 3.228 20 0 CGADMM O=c1c2c([n-]n1C1CCC(F)(F)CC1)CCCCC2 ZINC000899366623 620675105 /nfs/dbraw/zinc/67/51/05/620675105.db2.gz ORBRHKPGXPEWCQ-LLVKDONJSA-N -1 1 270.323 3.343 20 0 CGADMM C[C@@H](c1ccccn1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833548556 604564871 /nfs/dbraw/zinc/56/48/71/604564871.db2.gz FEVGJWJUVAMVBR-NSHDSACASA-N -1 1 288.322 3.112 20 0 CGADMM CCC(CC)CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833642349 605059092 /nfs/dbraw/zinc/05/90/92/605059092.db2.gz MAFUIHREFNAZRI-UHFFFAOYSA-N -1 1 289.335 3.026 20 0 CGADMM Cc1nc([C@@H](C)N[C@H](CNC(=O)[O-])CC(C)C)c(C)s1 ZINC000830710074 605502089 /nfs/dbraw/zinc/50/20/89/605502089.db2.gz YHJXZQXNPTWRII-SKDRFNHKSA-N -1 1 299.440 3.093 20 0 CGADMM CCCC[C@@H](CNC(=O)[O-])N[C@@H](C)c1nc(C)sc1C ZINC000826806987 605513236 /nfs/dbraw/zinc/51/32/36/605513236.db2.gz SCILVRJLQLWDBD-CABZTGNLSA-N -1 1 299.440 3.237 20 0 CGADMM O=C([O-])Nc1ccc(CN2CCC[C@H]2c2ccco2)cn1 ZINC000834260503 605595414 /nfs/dbraw/zinc/59/54/14/605595414.db2.gz RTVUQYDUXMXATA-LBPRGKRZSA-N -1 1 287.319 3.102 20 0 CGADMM O=C([O-])Nc1cccc(CN(Cc2cccnc2)C2CC2)c1 ZINC000834268543 605812056 /nfs/dbraw/zinc/81/20/56/605812056.db2.gz IHBKJUMJSSLBJD-UHFFFAOYSA-N -1 1 297.358 3.336 20 0 CGADMM C(=Cc1nc2ccccc2o1)c1ccc(-c2nn[n-]n2)s1 ZINC000819709530 606388283 /nfs/dbraw/zinc/38/82/83/606388283.db2.gz IDIHEVFWEGHQMM-VURMDHGXSA-N -1 1 295.327 3.240 20 0 CGADMM O=C([N-][C@H](c1ccccc1)C1CC1)C(F)(F)C(F)F ZINC000175847636 617985568 /nfs/dbraw/zinc/98/55/68/617985568.db2.gz VTOHZOCJKOMDIQ-SNVBAGLBSA-N -1 1 275.245 3.154 20 0 CGADMM C[C@@H](C(=O)[N-]OC1CCC1)c1ccccc1C(F)(F)F ZINC000812789055 617853643 /nfs/dbraw/zinc/85/36/43/617853643.db2.gz KDRGYWIJQRZXGF-SECBINFHSA-N -1 1 287.281 3.409 20 0 CGADMM COc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1O ZINC000070333864 617955938 /nfs/dbraw/zinc/95/59/38/617955938.db2.gz DSGMQNHQQOWBJH-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM CN(Cc1ccccc1)C(=O)c1c([O-])cccc1Cl ZINC000049081384 618057710 /nfs/dbraw/zinc/05/77/10/618057710.db2.gz AAFFRWXOEXADLZ-UHFFFAOYSA-N -1 1 275.735 3.318 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2ccnc(Cl)c2F)on1 ZINC000891506106 618233766 /nfs/dbraw/zinc/23/37/66/618233766.db2.gz CWVDKGMJAHYXNT-UHFFFAOYSA-N -1 1 283.690 3.238 20 0 CGADMM CCc1cc(C(=O)[N-]c2c(OC)cccc2SC)no1 ZINC000891851444 618340081 /nfs/dbraw/zinc/34/00/81/618340081.db2.gz CSAUEXODDXKFMV-UHFFFAOYSA-N -1 1 292.360 3.220 20 0 CGADMM CCCN(C(=O)c1c([O-])cnc2c(F)cccc21)C1CC1 ZINC000900571339 620799899 /nfs/dbraw/zinc/79/98/99/620799899.db2.gz GQXUGWCNZYXYQF-UHFFFAOYSA-N -1 1 288.322 3.094 20 0 CGADMM CCOc1cccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000176252358 618439411 /nfs/dbraw/zinc/43/94/11/618439411.db2.gz FHRNDJYNEOODBK-MRVPVSSYSA-N -1 1 293.260 3.163 20 0 CGADMM Cc1ccc2c(c1)CCCN2C(=O)c1ccc([O-])cc1F ZINC000181856529 618918574 /nfs/dbraw/zinc/91/85/74/618918574.db2.gz WUGFLIQHZFMIFR-UHFFFAOYSA-N -1 1 285.318 3.433 20 0 CGADMM CCCCc1oc2ccccc2c1CN(C)CC(=O)[O-] ZINC000236921329 619372463 /nfs/dbraw/zinc/37/24/63/619372463.db2.gz UNJAKWYKUCGZIT-UHFFFAOYSA-N -1 1 275.348 3.292 20 0 CGADMM Cc1ccc2oc([N-]c3cnn4c3NC[C@H](C)C4)nc2c1 ZINC000894952030 619687912 /nfs/dbraw/zinc/68/79/12/619687912.db2.gz ZEZZDZXLBPQQPU-JTQLQIEISA-N -1 1 283.335 3.138 20 0 CGADMM CCc1ccc([C@H](C)CC(=O)[N-]OCc2ccccn2)cc1 ZINC000909539064 620077486 /nfs/dbraw/zinc/07/74/86/620077486.db2.gz WBEMCSPFHQSMGM-CQSZACIVSA-N -1 1 298.386 3.386 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000898575665 620597345 /nfs/dbraw/zinc/59/73/45/620597345.db2.gz WIOWVCKFJKZIFI-BDAKNGLRSA-N -1 1 291.244 3.214 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000898575668 620597418 /nfs/dbraw/zinc/59/74/18/620597418.db2.gz WIOWVCKFJKZIFI-IUCAKERBSA-N -1 1 291.244 3.214 20 0 CGADMM O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccnc2cc(F)ccc21 ZINC000900978528 620822722 /nfs/dbraw/zinc/82/27/22/620822722.db2.gz KMYGAWGXGBQEFJ-NEPJUHHUSA-N -1 1 274.295 3.039 20 0 CGADMM Cc1cc(NC(=O)c2cc(F)ccc2[O-])c(C)c(C)c1O ZINC000185793086 625441364 /nfs/dbraw/zinc/44/13/64/625441364.db2.gz GJLCMHOZIRLIGJ-UHFFFAOYSA-N -1 1 289.306 3.414 20 0 CGADMM Cc1cc(C)c(/C=C\CN2CC[C@@](F)(C(=O)[O-])C2)cc1C ZINC000901516829 620923978 /nfs/dbraw/zinc/92/39/78/620923978.db2.gz GRECPWMOJQLDDJ-CHYADLBTSA-N -1 1 291.366 3.124 20 0 CGADMM CC1(CN2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CC1 ZINC000901587892 620937162 /nfs/dbraw/zinc/93/71/62/620937162.db2.gz NZBOIDKANBBICZ-UHFFFAOYSA-N -1 1 284.359 3.024 20 0 CGADMM Cc1cc(CN[C@@H]2CCc3ccc(F)cc32)oc1C(=O)[O-] ZINC000902233882 621204788 /nfs/dbraw/zinc/20/47/88/621204788.db2.gz FGZJLJIPOPXLSP-CQSZACIVSA-N -1 1 289.306 3.202 20 0 CGADMM O=C([O-])c1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)o1 ZINC000902372354 621277860 /nfs/dbraw/zinc/27/78/60/621277860.db2.gz YUXHDMNIBMXSIH-CYBMUJFWSA-N -1 1 291.734 3.408 20 0 CGADMM CC[C@H](NCc1cc(C(=O)[O-])cs1)c1c(C)noc1C ZINC000902426022 621313829 /nfs/dbraw/zinc/31/38/29/621313829.db2.gz TTWKSTQXVFZFPX-LBPRGKRZSA-N -1 1 294.376 3.292 20 0 CGADMM CC[C@]1(C(=O)[O-])CCCN(Cc2ncc(C(C)C)s2)C1 ZINC000904401473 621918210 /nfs/dbraw/zinc/91/82/10/621918210.db2.gz PIXCJGAAVNXSHN-HNNXBMFYSA-N -1 1 296.436 3.343 20 0 CGADMM COc1cnc(C=Cc2ccccc2OCC2CC2)[n-]c1=O ZINC000905077197 622037410 /nfs/dbraw/zinc/03/74/10/622037410.db2.gz RWRLOAVEVICPGO-HJWRWDBZSA-N -1 1 298.342 3.150 20 0 CGADMM CC12C[C@H]3C[C@@H](C1)CC(C(=O)[N-]O[C@@H]1CCCCO1)(C3)C2 ZINC000906479652 622240696 /nfs/dbraw/zinc/24/06/96/622240696.db2.gz PNAPKOZSISXJNE-AUPQCFOMSA-N -1 1 293.407 3.167 20 0 CGADMM CCCCc1nc(C)c(CC(=O)[N-]OCCC2CC2)s1 ZINC000908383779 622346329 /nfs/dbraw/zinc/34/63/29/622346329.db2.gz VANZGJPHOQZXCK-UHFFFAOYSA-N -1 1 296.436 3.185 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C1CCCCC1 ZINC000909971966 622439655 /nfs/dbraw/zinc/43/96/55/622439655.db2.gz IUPIDYGZIXODID-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM CCC[C@H](CC)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909971922 622440154 /nfs/dbraw/zinc/44/01/54/622440154.db2.gz HKVWDVQYEMBQSW-QMMMGPOBSA-N -1 1 257.280 3.435 20 0 CGADMM O=C(C=C1CCSCC1)Nc1cc([O-])c(F)cc1F ZINC000909985949 622441791 /nfs/dbraw/zinc/44/17/91/622441791.db2.gz UWKCLGUNKFRCFE-UHFFFAOYSA-N -1 1 285.315 3.062 20 0 CGADMM CC(C)(C)CCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909981634 622444253 /nfs/dbraw/zinc/44/42/53/622444253.db2.gz VAJTZJVMKTZZPL-UHFFFAOYSA-N -1 1 257.280 3.435 20 0 CGADMM CC[C@@H]1C[C@H](CC(=O)Nc2cc(F)cc(F)c2[O-])CCO1 ZINC000910981475 622512337 /nfs/dbraw/zinc/51/23/37/622512337.db2.gz DGAHJNNEBZTIBJ-MWLCHTKSSA-N -1 1 299.317 3.204 20 0 CGADMM CC[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000057308530 622869042 /nfs/dbraw/zinc/86/90/42/622869042.db2.gz PREJBXNLUAIGSN-JTQLQIEISA-N -1 1 267.756 3.308 20 0 CGADMM CCCCC[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000060357321 623036458 /nfs/dbraw/zinc/03/64/58/623036458.db2.gz CDDQHFDSHSWKNJ-SNVBAGLBSA-N -1 1 291.363 3.212 20 0 CGADMM C/C(=C\C(=O)[N-]O[C@H]1CCCCO1)c1ccccc1Cl ZINC000170760098 623098762 /nfs/dbraw/zinc/09/87/62/623098762.db2.gz KFKVGJHYBXJFMH-NKSUMMKUSA-N -1 1 295.766 3.318 20 0 CGADMM O=C([O-])c1ccc2c(c1)CN(Cc1cccs1)CC2 ZINC000212051464 623663815 /nfs/dbraw/zinc/66/38/15/623663815.db2.gz ANZFFSIQTJUYJG-UHFFFAOYSA-N -1 1 273.357 3.005 20 0 CGADMM CCc1cc(=O)[n-]c(SCCc2cccc(F)c2)n1 ZINC000917512419 624277656 /nfs/dbraw/zinc/27/76/56/624277656.db2.gz GERQDKATEKBFTC-UHFFFAOYSA-N -1 1 278.352 3.219 20 0 CGADMM COC[C@@H](CSc1nc(C(F)F)cc(=O)[n-]1)C(C)C ZINC000917745283 624309257 /nfs/dbraw/zinc/30/92/57/624309257.db2.gz CSMXUBZAKFHVHN-QMMMGPOBSA-N -1 1 292.351 3.131 20 0 CGADMM CC(C)(C)c1nc(CN2CCCC[C@@H]2CCC(=O)[O-])co1 ZINC000923247191 626138821 /nfs/dbraw/zinc/13/88/21/626138821.db2.gz CRHIFPBROIKWBA-CYBMUJFWSA-N -1 1 294.395 3.191 20 0 CGADMM CCO[C@H](C(=O)Nc1ccc(F)cc1[O-])C1CCCC1 ZINC000867006937 626325760 /nfs/dbraw/zinc/32/57/60/626325760.db2.gz RBJJVGCYZKTTJJ-AWEZNQCLSA-N -1 1 281.327 3.065 20 0 CGADMM Cc1nc(Cl)ccc1C(=O)Nc1c([O-])cccc1F ZINC000752622660 626434019 /nfs/dbraw/zinc/43/40/19/626434019.db2.gz VCUKILNLWSZXJF-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM CC(C)Oc1cccc(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000756285809 626689259 /nfs/dbraw/zinc/68/92/59/626689259.db2.gz PUVQROPNOGJFCB-UHFFFAOYSA-N -1 1 289.331 3.055 20 0 CGADMM CCCc1nnc([N-]C(=O)c2coc(C(C)(C)C)n2)s1 ZINC000874134245 634519335 /nfs/dbraw/zinc/51/93/35/634519335.db2.gz JBGIBDVBYWZYBB-UHFFFAOYSA-N -1 1 294.380 3.028 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)CC(C)C)c1 ZINC000765553162 627259442 /nfs/dbraw/zinc/25/94/42/627259442.db2.gz XXXCYFFELCMGRZ-LBPRGKRZSA-N -1 1 292.375 3.363 20 0 CGADMM C[C@H]1CCCc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)F ZINC000765743650 627268365 /nfs/dbraw/zinc/26/83/65/627268365.db2.gz HNPGQHNPJCVRKS-JOYOIKCWSA-N -1 1 271.282 3.379 20 0 CGADMM O=C(N[C@H]1CC2CCC1CC2)c1c([O-])cccc1Cl ZINC000770031571 627599021 /nfs/dbraw/zinc/59/90/21/627599021.db2.gz DEXGKJGHVUCNHQ-CBINBANVSA-N -1 1 279.767 3.354 20 0 CGADMM C[C@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)C1CC1 ZINC000771221080 627691145 /nfs/dbraw/zinc/69/11/45/627691145.db2.gz BKLXHIORLQBHBC-MRVPVSSYSA-N -1 1 262.284 3.170 20 0 CGADMM C[C@@H]1CCCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000775159094 628067861 /nfs/dbraw/zinc/06/78/61/628067861.db2.gz HPMVRMSFFMUYNU-SNVBAGLBSA-N -1 1 267.756 3.308 20 0 CGADMM CC(C)[C@H](NC(=O)c1ccc([O-])cc1F)c1ccccn1 ZINC000776158461 628171684 /nfs/dbraw/zinc/17/16/84/628171684.db2.gz WZGQVKMHHCYZML-HNNXBMFYSA-N -1 1 288.322 3.053 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cnc(C3CCCC3)s2)S1 ZINC000874928540 634654127 /nfs/dbraw/zinc/65/41/27/634654127.db2.gz PESPAADYRLQCPF-UITAMQMPSA-N -1 1 280.374 3.125 20 0 CGADMM CCCCS[C@@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000789930192 629174655 /nfs/dbraw/zinc/17/46/55/629174655.db2.gz GUEOCFFNMDZZMY-QMMMGPOBSA-N -1 1 288.800 3.301 20 0 CGADMM CCOCCO[N-]C(=O)[C@H](C)c1cccc(CC(C)C)c1 ZINC000803118464 630448451 /nfs/dbraw/zinc/44/84/51/630448451.db2.gz SWPPLNNLOBGOPZ-CQSZACIVSA-N -1 1 293.407 3.073 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000836882457 634822028 /nfs/dbraw/zinc/82/20/28/634822028.db2.gz AAPHEPQVMAAEFX-NHYWBVRUSA-N -1 1 291.778 3.306 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCCC12CCC2 ZINC000876395418 634826380 /nfs/dbraw/zinc/82/63/80/634826380.db2.gz IJLFKASWJCGNOU-UHFFFAOYSA-N -1 1 294.782 3.274 20 0 CGADMM CC(C)[C@H](C)N(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395122 634826505 /nfs/dbraw/zinc/82/65/05/634826505.db2.gz UEHUWRIRHVXRIR-JTQLQIEISA-N -1 1 284.787 3.232 20 0 CGADMM CC(C)CCN(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394879 634826576 /nfs/dbraw/zinc/82/65/76/634826576.db2.gz PKUIRQUGVIHKEU-UHFFFAOYSA-N -1 1 284.787 3.233 20 0 CGADMM CC(C)CN(C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000876394933 634826730 /nfs/dbraw/zinc/82/67/30/634826730.db2.gz RONSXTZFNOZZHH-UHFFFAOYSA-N -1 1 296.798 3.376 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CCCCCCCC1 ZINC000836921715 634828314 /nfs/dbraw/zinc/82/83/14/634828314.db2.gz KWNBJWPLEFZMSW-UHFFFAOYSA-N -1 1 283.318 3.467 20 0 CGADMM CC[C@H](C(=O)[N-]OCCC1CC1)c1ccc(F)cc1 ZINC000817445924 632161379 /nfs/dbraw/zinc/16/13/79/632161379.db2.gz BZFGZXJHPCIMNU-AWEZNQCLSA-N -1 1 265.328 3.167 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1c([O-])cccc1Cl ZINC000819603914 632490497 /nfs/dbraw/zinc/49/04/97/632490497.db2.gz FDXYKYDSGZVMFU-QWRGUYRKSA-N -1 1 279.767 3.212 20 0 CGADMM CCCC[C@H](C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000819961572 632550331 /nfs/dbraw/zinc/55/03/31/632550331.db2.gz LAECYEILRPGURM-JTQLQIEISA-N -1 1 276.336 3.217 20 0 CGADMM CC(=Cc1ccccc1Cl)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000820401610 632618464 /nfs/dbraw/zinc/61/84/64/632618464.db2.gz BYSWKEMHLMLTFY-FPLPWBNLSA-N -1 1 291.738 3.119 20 0 CGADMM CCO[C@@H](C(=O)Nc1cccc(F)c1[O-])C1CCCC1 ZINC000869448851 633446065 /nfs/dbraw/zinc/44/60/65/633446065.db2.gz LAHKPLDJUYDISJ-CQSZACIVSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@H](COC(=O)Cc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000869736789 633502212 /nfs/dbraw/zinc/50/22/12/633502212.db2.gz PYAPSRVARPMQRT-SSDOTTSWSA-N -1 1 296.672 3.330 20 0 CGADMM C[C@@]1(C(=O)Nc2nc(Cl)ccc2[O-])CC=CCC1 ZINC000830863769 633893104 /nfs/dbraw/zinc/89/31/04/633893104.db2.gz CXACCIDTBHAZJK-CYBMUJFWSA-N -1 1 266.728 3.126 20 0 CGADMM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1c([O-])cccc1F ZINC000831249753 633932649 /nfs/dbraw/zinc/93/26/49/633932649.db2.gz CPOUTIOFCZIFIM-SSDOTTSWSA-N -1 1 292.137 3.444 20 0 CGADMM O=C([O-])[C@H](NCc1ccc2c(c1)CCC2)c1ccccc1F ZINC000841795118 635237170 /nfs/dbraw/zinc/23/71/70/635237170.db2.gz GTHMLYSQVZVBGR-QGZVFWFLSA-N -1 1 299.345 3.230 20 0 CGADMM O=C(NC1CCCCCCC1)c1cc(F)ccc1[O-] ZINC000128593096 636042669 /nfs/dbraw/zinc/04/26/69/636042669.db2.gz IEXMYZHUZNMIEC-UHFFFAOYSA-N -1 1 265.328 3.374 20 0 CGADMM CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1c([O-])cccc1Cl ZINC000846374731 636180375 /nfs/dbraw/zinc/18/03/75/636180375.db2.gz KGXBELWKCTVHJW-MNOVXSKESA-N -1 1 297.782 3.075 20 0 CGADMM C=C/C=C/CCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000882096036 636254269 /nfs/dbraw/zinc/25/42/69/636254269.db2.gz GXLKJYASYKWRGT-ONEGZZNKSA-N -1 1 292.404 3.288 20 0 CGADMM COC(=O)c1c[n-]c(SCC[C@@H]2CCCC2(F)F)n1 ZINC000882155514 636272432 /nfs/dbraw/zinc/27/24/32/636272432.db2.gz IOTQDIVEEUIYAT-QMMMGPOBSA-N -1 1 290.335 3.114 20 0 CGADMM O=c1nc(NCC[C@H]2CCCC2(F)F)cc(Cl)[n-]1 ZINC000882799332 636424459 /nfs/dbraw/zinc/42/44/59/636424459.db2.gz YWZXRMSGRNDUSG-SSDOTTSWSA-N -1 1 277.702 3.073 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1CCCC1 ZINC000885674551 637283598 /nfs/dbraw/zinc/28/35/98/637283598.db2.gz QBCPPFWNERZLSG-UHFFFAOYSA-N -1 1 257.692 3.313 20 0 CGADMM O=S(=O)([N-]C1(C2CC2)CCC1)c1cc2ccccc2o1 ZINC000885857756 637306164 /nfs/dbraw/zinc/30/61/64/637306164.db2.gz DXMOEMUWKWIVQE-UHFFFAOYSA-N -1 1 291.372 3.044 20 0 CGADMM CC(C)[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000851830551 637516856 /nfs/dbraw/zinc/51/68/56/637516856.db2.gz ZFCZQHCITLPXLR-HNNXBMFYSA-N -1 1 293.388 3.146 20 0 CGADMM Cc1oc(NC(=O)c2c(F)ccc([O-])c2F)nc1C1CC1 ZINC000887241409 637778746 /nfs/dbraw/zinc/77/87/46/637778746.db2.gz QFIYHDSEPIMTJV-UHFFFAOYSA-N -1 1 294.257 3.097 20 0 CGADMM COc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(F)c1 ZINC000111668638 637942726 /nfs/dbraw/zinc/94/27/26/637942726.db2.gz CAIAOIGMVUWLNZ-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCC(=O)CC1 ZINC000885678970 638050005 /nfs/dbraw/zinc/05/00/05/638050005.db2.gz ZSMPYAPTQGFRQX-UHFFFAOYSA-N -1 1 299.729 3.273 20 0 CGADMM CC[C@@H](C)c1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000854634631 638079137 /nfs/dbraw/zinc/07/91/37/638079137.db2.gz FWOBEIYDVNOUTE-SECBINFHSA-N -1 1 273.336 3.190 20 0 CGADMM CCCCCC[C@H](C)CC(=O)Nc1c(C)[n-][nH]c1=O ZINC000854635164 638080821 /nfs/dbraw/zinc/08/08/21/638080821.db2.gz OPMXUSYOILJQRO-JTQLQIEISA-N -1 1 267.373 3.359 20 0 CGADMM CN(c1cc(Cl)[n-]c(=O)n1)C1CCCCCCC1 ZINC000858377248 638696789 /nfs/dbraw/zinc/69/67/89/638696789.db2.gz WYZOYFZPLQZZKO-UHFFFAOYSA-N -1 1 269.776 3.385 20 0 CGADMM COCCC1(CNc2cc(Cl)[n-]c(=O)n2)CCCCC1 ZINC000858489209 638738966 /nfs/dbraw/zinc/73/89/66/638738966.db2.gz WGZLVDMVWZUUCB-UHFFFAOYSA-N -1 1 299.802 3.235 20 0 CGADMM CCC1(CC)CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858488282 638739541 /nfs/dbraw/zinc/73/95/41/638739541.db2.gz FGZXTFPWLUDQLE-UHFFFAOYSA-N -1 1 269.776 3.242 20 0 CGADMM CC1(C)CCC[C@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858510200 638751855 /nfs/dbraw/zinc/75/18/55/638751855.db2.gz WOLMDUDAAYPFGT-QMMMGPOBSA-N -1 1 255.749 3.216 20 0 CGADMM Cc1noc(C(C)C)c1NC(=O)c1ccc([O-])c(F)c1 ZINC000928787485 638892345 /nfs/dbraw/zinc/89/23/45/638892345.db2.gz LXOSTHAFLUFJQX-UHFFFAOYSA-N -1 1 278.283 3.203 20 0 CGADMM C[C@@H](CCCc1cccnc1)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858567091 638994833 /nfs/dbraw/zinc/99/48/33/638994833.db2.gz SSMDVPVEPTUPNW-JTQLQIEISA-N -1 1 292.770 3.054 20 0 CGADMM O=C([O-])[C@H](NCc1ccccc1F)c1ccc(Cl)cc1 ZINC000074403523 639256307 /nfs/dbraw/zinc/25/63/07/639256307.db2.gz PJZFTCHJXHLIJO-CQSZACIVSA-N -1 1 293.725 3.395 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@]12CCO[C@@H]1CCCC2 ZINC000935020635 639732716 /nfs/dbraw/zinc/73/27/16/639732716.db2.gz GVOZXPMODBDCHF-HIFRSBDPSA-N -1 1 295.766 3.333 20 0 CGADMM CCC1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000049092745 640082992 /nfs/dbraw/zinc/08/29/92/640082992.db2.gz PHCMJBJYAKKOIO-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM CSc1ccc(Cl)cc1[N-]C(=O)c1cnsn1 ZINC000049140961 640085494 /nfs/dbraw/zinc/08/54/94/640085494.db2.gz QSFSMSBRTVPJIV-UHFFFAOYSA-N -1 1 285.781 3.166 20 0 CGADMM O=C(CCc1ccsc1)Nc1nc(Cl)ccc1[O-] ZINC000188366112 640133431 /nfs/dbraw/zinc/13/34/31/640133431.db2.gz YRYKBJCAYKFTEX-UHFFFAOYSA-N -1 1 282.752 3.073 20 0 CGADMM [O-]c1ccc(Cl)c(F)c1CN(CCO)c1ccccc1 ZINC000191542358 640318133 /nfs/dbraw/zinc/31/81/33/640318133.db2.gz JCIOICKXSFFJFR-UHFFFAOYSA-N -1 1 295.741 3.184 20 0 CGADMM O=C([N-]c1c(F)cc(F)cc1F)c1ccnc(F)c1F ZINC000097866622 640879641 /nfs/dbraw/zinc/87/96/41/640879641.db2.gz WAKZTFFWSCMYDE-UHFFFAOYSA-N -1 1 288.175 3.029 20 0 CGADMM O=C([O-])CC1CCN(Cc2ccsc2Cl)CC1 ZINC000308350018 963267332 /nfs/dbraw/zinc/26/73/32/963267332.db2.gz NECNOWVLWPNXLM-UHFFFAOYSA-N -1 1 273.785 3.088 20 0 CGADMM [O-]c1cccc(-c2nccc(C(F)(F)F)n2)c1F ZINC001250467160 805635123 /nfs/dbraw/zinc/63/51/23/805635123.db2.gz QGHLBSOSSRLJTC-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM Cc1ccc(-c2ccc(OC(F)(F)F)cc2[O-])nn1 ZINC001250522050 805673307 /nfs/dbraw/zinc/67/33/07/805673307.db2.gz UIWPHDUEGGNMLJ-UHFFFAOYSA-N -1 1 270.210 3.056 20 0 CGADMM COc1ccc(OC)c(-c2c(F)cc([O-])cc2F)c1 ZINC001250614518 805726602 /nfs/dbraw/zinc/72/66/02/805726602.db2.gz ASSVETHLHRFQLU-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM Cc1[nH]c(-c2nc3ccc(F)c(C)c3[nH]2)c(C)c1C(=O)[O-] ZINC001250876867 805791259 /nfs/dbraw/zinc/79/12/59/805791259.db2.gz QJCUMIXTKVYRTQ-UHFFFAOYSA-N -1 1 287.294 3.321 20 0 CGADMM CN(C)c1ccc2[nH]c(-c3cc(F)c(F)cc3[O-])nc2c1 ZINC001250967648 805813319 /nfs/dbraw/zinc/81/33/19/805813319.db2.gz YKAKTTVIYARIRQ-UHFFFAOYSA-N -1 1 289.285 3.280 20 0 CGADMM COc1ccc2[nH]c(-c3cc(Cl)c([O-])cc3O)nc2c1 ZINC001251083062 805844415 /nfs/dbraw/zinc/84/44/15/805844415.db2.gz NQDRODARYQRZCU-UHFFFAOYSA-N -1 1 290.706 3.303 20 0 CGADMM CC(=O)c1ccc2[nH]c(-c3cccc([O-])c3F)nc2c1 ZINC001251255767 805873510 /nfs/dbraw/zinc/87/35/10/805873510.db2.gz YKHFZFILUHHHTI-UHFFFAOYSA-N -1 1 270.263 3.277 20 0 CGADMM Cn1c(-c2ccc(F)c([O-])c2)nc2ccc(F)c(F)c21 ZINC001251477212 805900315 /nfs/dbraw/zinc/90/03/15/805900315.db2.gz KTMIWWFOMKHGNQ-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM [O-]c1ccc(F)cc1-c1nnc(Cc2ccc(F)cc2)o1 ZINC001251924482 805954416 /nfs/dbraw/zinc/95/44/16/805954416.db2.gz ABAGSQSBETYQCV-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM CCS(=O)(=O)[N-]c1cccc(Cl)c1C(F)(F)F ZINC001253361296 806210078 /nfs/dbraw/zinc/21/00/78/806210078.db2.gz OIPGNVCDAVHBHR-UHFFFAOYSA-N -1 1 287.690 3.120 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NCC2(C)CCCCC2)c1 ZINC001160483401 806278679 /nfs/dbraw/zinc/27/86/79/806278679.db2.gz DDMPSCOFKOJIDD-UHFFFAOYSA-N -1 1 289.375 3.213 20 0 CGADMM CCC[C@@H](CC)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001161179335 806357104 /nfs/dbraw/zinc/35/71/04/806357104.db2.gz KTTRLDNSISXQSF-MRVPVSSYSA-N -1 1 256.733 3.205 20 0 CGADMM [O-]c1cnccc1-c1nnc([C@H]2C[C@@H]2c2ccccc2)o1 ZINC001254629961 806464008 /nfs/dbraw/zinc/46/40/08/806464008.db2.gz PBUYGZCDOKJZIO-OLZOCXBDSA-N -1 1 279.299 3.108 20 0 CGADMM Cc1cc(Cl)ccc1-c1nnc(-c2ccncc2[O-])o1 ZINC001255318202 806608800 /nfs/dbraw/zinc/60/88/00/806608800.db2.gz VVYDVIXTSMMYCR-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM COc1ccccc1[C@H](C)NCc1cc(C(=O)[O-])oc1C ZINC000234900520 799142988 /nfs/dbraw/zinc/14/29/88/799142988.db2.gz NPAUCNDTMMRABI-JTQLQIEISA-N -1 1 289.331 3.146 20 0 CGADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc(F)ccc1Cl ZINC000235359324 799144265 /nfs/dbraw/zinc/14/42/65/799144265.db2.gz USVRWXMTFOCVAP-NXEZZACHSA-N -1 1 285.746 3.164 20 0 CGADMM COc1cc(-c2ccc(Cl)c([O-])c2)c(F)cn1 ZINC000379754368 799353806 /nfs/dbraw/zinc/35/38/06/799353806.db2.gz RPKIONYDWGMBHN-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM [O-]c1c(F)cc(CN2CC[C@@H](C(F)(F)F)C2)cc1F ZINC000388264307 799452043 /nfs/dbraw/zinc/45/20/43/799452043.db2.gz BQVWWTXDWQZHAQ-MRVPVSSYSA-N -1 1 281.224 3.055 20 0 CGADMM Cc1ccc(C[N@H+](C)[C@@H](C)c2ccco2)cc1C(=O)[O-] ZINC000701822980 799894924 /nfs/dbraw/zinc/89/49/24/799894924.db2.gz OAMKJWRTQNTTDB-LBPRGKRZSA-N -1 1 273.332 3.479 20 0 CGADMM Cc1ccc(CN(C)[C@@H](C)c2ccco2)cc1C(=O)[O-] ZINC000701822980 799894932 /nfs/dbraw/zinc/89/49/32/799894932.db2.gz OAMKJWRTQNTTDB-LBPRGKRZSA-N -1 1 273.332 3.479 20 0 CGADMM Cc1ncsc1CN(C)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701826844 799895577 /nfs/dbraw/zinc/89/55/77/799895577.db2.gz FERWNUBAPYYXBI-UHFFFAOYSA-N -1 1 290.388 3.090 20 0 CGADMM O=C(NC1CCC2(CC2)CC1)c1cc(Cl)ccc1[O-] ZINC000710141278 800030348 /nfs/dbraw/zinc/03/03/48/800030348.db2.gz ZUEGRKNCIVBKAM-UHFFFAOYSA-N -1 1 279.767 3.498 20 0 CGADMM CC(C)(C)c1ncc(C(=O)[N-]c2c(F)ccnc2F)s1 ZINC001119394279 802659379 /nfs/dbraw/zinc/65/93/79/802659379.db2.gz KHRCWMUSHMLJSF-UHFFFAOYSA-N -1 1 297.330 3.366 20 0 CGADMM CC(C)(C)c1coc(CNCCC(C)(C)CCC(=O)[O-])n1 ZINC001119544709 802678513 /nfs/dbraw/zinc/67/85/13/802678513.db2.gz QTMNXVADRUQQMW-UHFFFAOYSA-N -1 1 296.411 3.343 20 0 CGADMM COc1cc(-c2c([O-])cccc2Cl)ncc1F ZINC001244035840 803154105 /nfs/dbraw/zinc/15/41/05/803154105.db2.gz NTGGMXZZWSCPDD-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM [O-]c1c(F)cc(-c2ccc(OC(F)F)nc2)cc1F ZINC001244094513 803182545 /nfs/dbraw/zinc/18/25/45/803182545.db2.gz UBWGVJRKXKRVBR-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)c([O-])c(F)c2)cc1C ZINC001244095987 803184004 /nfs/dbraw/zinc/18/40/04/803184004.db2.gz FYZUQOMKKSBJBX-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM O=c1cc(-c2cc(F)c([O-])c(F)c2)ccn1-c1ccccc1 ZINC001244097233 803185405 /nfs/dbraw/zinc/18/54/05/803185405.db2.gz USVGHKOESAQDEZ-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM COc1cc(OC)cc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244097640 803185678 /nfs/dbraw/zinc/18/56/78/803185678.db2.gz XSJLPAUFDAQNHC-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM O=C([O-])CCc1ccc(-c2cccc3nc[nH]c32)cc1 ZINC001244187631 803233382 /nfs/dbraw/zinc/23/33/82/803233382.db2.gz SNWNIITWWXXGNX-UHFFFAOYSA-N -1 1 266.300 3.247 20 0 CGADMM O=C([N-]c1ccnc(Cl)c1F)c1scnc1Cl ZINC001129740116 803251699 /nfs/dbraw/zinc/25/16/99/803251699.db2.gz QBHNWBGROHRDPT-UHFFFAOYSA-N -1 1 292.122 3.236 20 0 CGADMM Cc1ccc([O-])c(-c2ncc(C(F)(F)F)cn2)c1 ZINC001244402072 803350428 /nfs/dbraw/zinc/35/04/28/803350428.db2.gz PWEIRYLDKSMLPX-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM Cc1ccc([O-])c(-c2nc(C)cc(N3CCCC3)n2)c1 ZINC001244401536 803350908 /nfs/dbraw/zinc/35/09/08/803350908.db2.gz FRXPLSVJMFARCB-UHFFFAOYSA-N -1 1 269.348 3.066 20 0 CGADMM CCOc1ccc(C(=O)[O-])cc1-c1cccn2cncc12 ZINC001244421686 803361259 /nfs/dbraw/zinc/36/12/59/803361259.db2.gz YFKQXGWZOYLQHJ-UHFFFAOYSA-N -1 1 282.299 3.098 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(O)ccc3C)ccc2[n-]1 ZINC001244449040 803372801 /nfs/dbraw/zinc/37/28/01/803372801.db2.gz DAZCODCGGRHUIG-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(O)ccc3C)cc2[n-]1 ZINC001244449040 803372807 /nfs/dbraw/zinc/37/28/07/803372807.db2.gz DAZCODCGGRHUIG-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1cccc(F)n1 ZINC001244463085 803381912 /nfs/dbraw/zinc/38/19/12/803381912.db2.gz GFFROCFKZASDAD-UHFFFAOYSA-N -1 1 273.185 3.492 20 0 CGADMM Cc1cc(-c2nccc(NC3CC3)n2)cc(Cl)c1[O-] ZINC001244530306 803422056 /nfs/dbraw/zinc/42/20/56/803422056.db2.gz KIZMKFOWLYLZMO-UHFFFAOYSA-N -1 1 275.739 3.385 20 0 CGADMM COc1ncc(F)cc1-c1c(Cl)ccc([O-])c1F ZINC001244540640 803428229 /nfs/dbraw/zinc/42/82/29/803428229.db2.gz FGKNWUISGAQJKH-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cnc(N3CCCC3)nc2)c1F ZINC001244539898 803428736 /nfs/dbraw/zinc/42/87/36/803428736.db2.gz MVWZWCZVFQKPAX-UHFFFAOYSA-N -1 1 293.729 3.242 20 0 CGADMM Cc1nc2cc(-c3c(Cl)ccc([O-])c3F)ccn2n1 ZINC001244543804 803430923 /nfs/dbraw/zinc/43/09/23/803430923.db2.gz XLOZPHXXMGQBJT-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001135443982 803597466 /nfs/dbraw/zinc/59/74/66/803597466.db2.gz GIZYODKVOQYFAS-SNVBAGLBSA-N -1 1 259.280 3.022 20 0 CGADMM CC(C)(C)CCCNC(=O)c1ncc2ccccc2c1[O-] ZINC001136892550 803659288 /nfs/dbraw/zinc/65/92/88/803659288.db2.gz GULIYDQUUWJNSQ-UHFFFAOYSA-N -1 1 286.375 3.497 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3[nH]nnc32)cc1Cl ZINC001245672654 803901818 /nfs/dbraw/zinc/90/18/18/803901818.db2.gz YUZOZNOSVBUUDX-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM Cn1cnc2c1ccnc2-c1c(F)ccc([O-])c1Cl ZINC001245826071 803981595 /nfs/dbraw/zinc/98/15/95/803981595.db2.gz ALUCRYMVLBROLR-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM CCc1cncnc1-c1c(F)ccc([O-])c1Cl ZINC001245828678 803982561 /nfs/dbraw/zinc/98/25/61/803982561.db2.gz YKZUUJLHTDKPFM-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM COC(=O)c1ncccc1-c1c(F)ccc([O-])c1Cl ZINC001245831597 803985788 /nfs/dbraw/zinc/98/57/88/803985788.db2.gz OPFLNGHQEIVLON-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(-c3nn[nH]n3)cc2)c1Cl ZINC001245831430 803986249 /nfs/dbraw/zinc/98/62/49/803986249.db2.gz GCQBCLXTTIVLHT-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc3ocnc3c2)c1Cl ZINC001245831493 803986779 /nfs/dbraw/zinc/98/67/79/803986779.db2.gz NBKOWDIOJQWDHZ-UHFFFAOYSA-N -1 1 264.643 3.388 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3nccn3c2)c1Cl ZINC001245831852 803987279 /nfs/dbraw/zinc/98/72/79/803987279.db2.gz QWJHRCVSQVTYKU-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM Cc1nc2c(-c3c(F)ccc([O-])c3Cl)cccn2n1 ZINC001245832528 803988088 /nfs/dbraw/zinc/98/80/88/803988088.db2.gz JONUKZVTEXHSBW-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM [O-]c1ccc(F)c(-c2cccn3ccnc23)c1Cl ZINC001245832728 803988208 /nfs/dbraw/zinc/98/82/08/803988208.db2.gz OBZAMKDBENCITQ-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM Cc1ccc(O)c(-n2[n-]c(-c3ccc(F)cc3)cc2=O)c1 ZINC001245916840 804043839 /nfs/dbraw/zinc/04/38/39/804043839.db2.gz ADHJZZPKUXXJFO-UHFFFAOYSA-N -1 1 284.290 3.398 20 0 CGADMM COc1ccc(-n2[n-]c(CC(C)(C)C)cc2=O)cc1F ZINC001245933112 804062385 /nfs/dbraw/zinc/06/23/85/804062385.db2.gz UIFHRLIRPMPNKN-UHFFFAOYSA-N -1 1 278.327 3.314 20 0 CGADMM Cc1nnc([N-]c2cc(F)c(F)cc2OC(C)C)o1 ZINC001212219906 814992927 /nfs/dbraw/zinc/99/29/27/814992927.db2.gz ANSRHYYFNAIKJR-UHFFFAOYSA-N -1 1 269.251 3.187 20 0 CGADMM [O-]c1ccc(Cl)c(Nc2ccc(CO)nc2)c1Cl ZINC001212380298 815013666 /nfs/dbraw/zinc/01/36/66/815013666.db2.gz HLTHHVAVYWOFPE-UHFFFAOYSA-N -1 1 285.130 3.330 20 0 CGADMM Cc1[nH]c(CN2C3CCCC2CCC3)c(C)c1C(=O)[O-] ZINC001140496804 804446562 /nfs/dbraw/zinc/44/65/62/804446562.db2.gz RMCDBNDCIRYRJV-UHFFFAOYSA-N -1 1 276.380 3.237 20 0 CGADMM [O-]c1ccc(CN2CCC(C(F)(F)F)CC2)c(F)c1F ZINC001140888786 804543403 /nfs/dbraw/zinc/54/34/03/804543403.db2.gz XHBDGXOXEPIAHD-UHFFFAOYSA-N -1 1 295.251 3.445 20 0 CGADMM [O-]c1ccc(CN2CC[C@H](C(F)(F)F)C2)c(F)c1F ZINC001140894402 804546111 /nfs/dbraw/zinc/54/61/11/804546111.db2.gz WWGPNIFNEKEWPL-QMMMGPOBSA-N -1 1 281.224 3.055 20 0 CGADMM COc1cccc2c1CN(Cc1cc(F)c([O-])c(F)c1)C2 ZINC001140990590 804564009 /nfs/dbraw/zinc/56/40/09/804564009.db2.gz IVACPQFOVHECGH-UHFFFAOYSA-N -1 1 291.297 3.195 20 0 CGADMM CC[C@@H]1C[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001141110915 804592591 /nfs/dbraw/zinc/59/25/91/804592591.db2.gz YQZKYNYDXLLTPG-BDAKNGLRSA-N -1 1 287.281 3.187 20 0 CGADMM Cc1ccc(C(=O)Nc2cccc([O-])c2Br)o1 ZINC001141218792 804613109 /nfs/dbraw/zinc/61/31/09/804613109.db2.gz IZQZGGUEQFWRHK-UHFFFAOYSA-N -1 1 296.120 3.308 20 0 CGADMM CCN(CCc1cccs1)C(=O)c1ccc(F)c([O-])c1 ZINC001141425706 804640101 /nfs/dbraw/zinc/64/01/01/804640101.db2.gz XSYGULNENZYHIL-UHFFFAOYSA-N -1 1 293.363 3.298 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C(F)(F)c1ccccc1 ZINC001141831153 804671681 /nfs/dbraw/zinc/67/16/81/804671681.db2.gz CLGYBWWHTMTJJS-UHFFFAOYSA-N -1 1 299.223 3.401 20 0 CGADMM Oc1cc(Cl)c(C[N@H+]2CCC[C@@H](O)CC2)c(Cl)c1 ZINC001142105726 804694689 /nfs/dbraw/zinc/69/46/89/804694689.db2.gz KZNPBUAZIGMWNJ-SECBINFHSA-N -1 1 290.190 3.046 20 0 CGADMM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1cncc([O-])c1 ZINC001142234077 804705514 /nfs/dbraw/zinc/70/55/14/804705514.db2.gz PUFMTKLXMJUTAP-QWHCGFSZSA-N -1 1 276.380 3.124 20 0 CGADMM O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccc([O-])cn1 ZINC001142724714 804762195 /nfs/dbraw/zinc/76/21/95/804762195.db2.gz FMENHKMZYOJPER-QGZVFWFLSA-N -1 1 296.370 3.449 20 0 CGADMM [O-]c1ccc(Cc2nc(-c3ccccn3)no2)cc1Cl ZINC001247587357 804777918 /nfs/dbraw/zinc/77/79/18/804777918.db2.gz QPZFQWVUZIFDTR-UHFFFAOYSA-N -1 1 287.706 3.081 20 0 CGADMM O=C(Nc1n[nH]cc1C1CC1)c1ccc2ccccc2c1[O-] ZINC001143162801 804813164 /nfs/dbraw/zinc/81/31/64/804813164.db2.gz XXAJQVGSJDHNAF-UHFFFAOYSA-N -1 1 293.326 3.398 20 0 CGADMM Nc1ccc2nn(-c3cc(F)cc(F)c3[O-])c(Cl)c2c1 ZINC001212486230 815037186 /nfs/dbraw/zinc/03/71/86/815037186.db2.gz ROQAXXJDMDVYDF-UHFFFAOYSA-N -1 1 295.676 3.245 20 0 CGADMM COc1c(F)ccc(Nc2ccnc(Cl)c2[O-])c1F ZINC001212498711 815042069 /nfs/dbraw/zinc/04/20/69/815042069.db2.gz SQMUOVLDHFJPBU-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cc2cccnc2[nH]1 ZINC001248707169 804971220 /nfs/dbraw/zinc/97/12/20/804971220.db2.gz REWMIXRURNYBTG-UHFFFAOYSA-N -1 1 260.684 3.061 20 0 CGADMM Cc1cc([C@H]2CCCN2Cc2cc(F)c([O-])cc2F)no1 ZINC001144646623 805021237 /nfs/dbraw/zinc/02/12/37/805021237.db2.gz DWBIWHOWLHZWLV-CQSZACIVSA-N -1 1 294.301 3.304 20 0 CGADMM [O-]c1cc(F)c(CN2Cc3ccccc3C2)cc1F ZINC001144646711 805021849 /nfs/dbraw/zinc/02/18/49/805021849.db2.gz IBCFIDSCHHPRDR-UHFFFAOYSA-N -1 1 261.271 3.186 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@H]2CCCC[C@H]21 ZINC001144971531 805060696 /nfs/dbraw/zinc/06/06/96/805060696.db2.gz VFCMXSGTUIVTNN-MLGOLLRUSA-N -1 1 297.354 3.266 20 0 CGADMM Cc1ccc2c(c1)C=C(C(=O)[N-]Oc1ccc(F)cc1)CO2 ZINC001146553261 805073710 /nfs/dbraw/zinc/07/37/10/805073710.db2.gz WXFYEAVMFDGGII-UHFFFAOYSA-N -1 1 299.301 3.020 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C2(CC2)C1 ZINC001148800585 805211180 /nfs/dbraw/zinc/21/11/80/805211180.db2.gz IKRVKLOTKDXGKH-VIFPVBQESA-N -1 1 299.292 3.426 20 0 CGADMM O=C(NCc1ccc[nH]1)c1cccc(-c2ccccc2)c1[O-] ZINC001148869995 805213348 /nfs/dbraw/zinc/21/33/48/805213348.db2.gz NRALZRGBYDOWAQ-UHFFFAOYSA-N -1 1 292.338 3.317 20 0 CGADMM Cc1cc(F)ncc1NC(=O)c1ccc2cccnc2c1[O-] ZINC001149315028 805228266 /nfs/dbraw/zinc/22/82/66/805228266.db2.gz RSXUHWHYERKCND-UHFFFAOYSA-N -1 1 297.289 3.035 20 0 CGADMM CC1(C)CN(C(=O)c2cccc([O-])c2F)[C@@H]1c1ccco1 ZINC001151111951 805283431 /nfs/dbraw/zinc/28/34/31/805283431.db2.gz UWJFOVQIVNIKGC-CQSZACIVSA-N -1 1 289.306 3.348 20 0 CGADMM Cc1cc(C)c(CC(=O)Nc2cccc(F)c2[O-])s1 ZINC001151780415 805311863 /nfs/dbraw/zinc/31/18/63/805311863.db2.gz YVJWHUXVBWVOPO-UHFFFAOYSA-N -1 1 279.336 3.391 20 0 CGADMM [O-]c1cc(Nc2ccnn2CC2CC2)c(F)c(F)c1F ZINC001249960533 805327373 /nfs/dbraw/zinc/32/73/73/805327373.db2.gz MLDRUCWDKWHNKJ-UHFFFAOYSA-N -1 1 283.253 3.160 20 0 CGADMM NC(=O)Nc1cccc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249965813 805332039 /nfs/dbraw/zinc/33/20/39/805332039.db2.gz MWCVOHQTQAWOJR-UHFFFAOYSA-N -1 1 297.236 3.044 20 0 CGADMM CCn1nccc1Nc1cc(Cl)c([O-])cc1F ZINC001250018207 805370063 /nfs/dbraw/zinc/37/00/63/805370063.db2.gz OPPOJVACFVIBRN-UHFFFAOYSA-N -1 1 255.680 3.145 20 0 CGADMM Cc1nsc(Nc2cc(Cl)c([O-])cc2F)n1 ZINC001250018882 805370445 /nfs/dbraw/zinc/37/04/45/805370445.db2.gz VFONKENTDWAKTC-UHFFFAOYSA-N -1 1 259.693 3.088 20 0 CGADMM [O-]c1cc(F)c(Nc2cnncc2Cl)cc1Cl ZINC001250020130 805371013 /nfs/dbraw/zinc/37/10/13/805371013.db2.gz LPEKLOCSQHABHK-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM Cc1ncncc1Nc1cc(Cl)c([O-])cc1F ZINC001250020522 805372067 /nfs/dbraw/zinc/37/20/67/805372067.db2.gz MTFDPGOBGGKLJT-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM O=C(CCc1cc(F)c([O-])cc1F)c1ccccc1 ZINC001250027405 805377785 /nfs/dbraw/zinc/37/77/85/805377785.db2.gz ZUDHRUNKQYZGEX-UHFFFAOYSA-N -1 1 262.255 3.486 20 0 CGADMM O=C(Nc1ccc(Cl)cc1O)c1ccc(F)c([O-])c1 ZINC001153462461 805399078 /nfs/dbraw/zinc/39/90/78/805399078.db2.gz XNIUNBCUBVMLOW-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM CC[C@H](CC(C)C)C(=O)[N-]Oc1ccccc1F ZINC001154219693 805440944 /nfs/dbraw/zinc/44/09/44/805440944.db2.gz ABKPNJPWHCZJSF-LLVKDONJSA-N -1 1 253.317 3.308 20 0 CGADMM O=C(CCn1ccc2ccccc21)[N-]Oc1ccccc1F ZINC001154215995 805441172 /nfs/dbraw/zinc/44/11/72/805441172.db2.gz RJEZAWCTXBBYRC-UHFFFAOYSA-N -1 1 298.317 3.281 20 0 CGADMM CC[C@@H](C)NC(=O)c1cc2cc(OC)ccc2cc1[O-] ZINC001154754283 805482513 /nfs/dbraw/zinc/48/25/13/805482513.db2.gz DVWSARFLBWAGOV-SNVBAGLBSA-N -1 1 273.332 3.082 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N[C@@H](C)C3CC3)cc2c1 ZINC001154754992 805482846 /nfs/dbraw/zinc/48/28/46/805482846.db2.gz VAYQQPFPYVXPTF-JTQLQIEISA-N -1 1 285.343 3.082 20 0 CGADMM [O-]c1ccc(F)c(Nc2cncc(O)c2)c1Cl ZINC001250228971 805504397 /nfs/dbraw/zinc/50/43/97/805504397.db2.gz QPXCOEMWAUCSLZ-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM Nc1ccc(N(c2c(F)ccc([O-])c2Cl)C2CC2)nc1 ZINC001250234551 805509276 /nfs/dbraw/zinc/50/92/76/805509276.db2.gz RTGAKTRFRPBIKJ-UHFFFAOYSA-N -1 1 293.729 3.462 20 0 CGADMM [O-]c1cc(Nc2c(F)ccc(CO)c2F)cc(F)c1F ZINC001250256415 805526472 /nfs/dbraw/zinc/52/64/72/805526472.db2.gz DXLSNZUWUACJRL-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM [O-]c1cc(F)c(CCOCc2ccccc2)cc1F ZINC001250295447 805548414 /nfs/dbraw/zinc/54/84/14/805548414.db2.gz BQJLPIJYWRMHJB-UHFFFAOYSA-N -1 1 264.271 3.430 20 0 CGADMM CCOC(=O)c1ccc(Cc2ccc([O-])c(F)c2F)cc1 ZINC001250326313 805570096 /nfs/dbraw/zinc/57/00/96/805570096.db2.gz IWBURXUSIYYOAT-UHFFFAOYSA-N -1 1 292.281 3.438 20 0 CGADMM CC(C)c1ccc2c(c1)CN(C(=O)c1ccc([O-])cn1)CC2 ZINC001165645747 807012097 /nfs/dbraw/zinc/01/20/97/807012097.db2.gz WBPIIIXWTWDOCA-UHFFFAOYSA-N -1 1 296.370 3.109 20 0 CGADMM O=C(N[C@@H]1CCCC12CCCCC2)c1ccc([O-])cn1 ZINC001166617191 807070149 /nfs/dbraw/zinc/07/01/49/807070149.db2.gz KLOGZRIHGGXDME-CQSZACIVSA-N -1 1 274.364 3.020 20 0 CGADMM CC(C)CCc1nnc(-c2c(F)ccc([O-])c2F)o1 ZINC001258356306 807426312 /nfs/dbraw/zinc/42/63/12/807426312.db2.gz AFGPDTKVQICOMG-UHFFFAOYSA-N -1 1 268.263 3.309 20 0 CGADMM CCc1ccc2nc(-c3ccc(F)cn3)[n-]c(=O)c2c1 ZINC001258508662 807481621 /nfs/dbraw/zinc/48/16/21/807481621.db2.gz MAWDIMOHTGGLBZ-UHFFFAOYSA-N -1 1 269.279 3.099 20 0 CGADMM CCCCC[C@H](CCC)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001258665293 807533747 /nfs/dbraw/zinc/53/37/47/807533747.db2.gz XCEBJQKALDHMKY-JTQLQIEISA-N -1 1 277.372 3.219 20 0 CGADMM CC(C)(C)c1nc([N-]c2cccc(CO)c2Cl)no1 ZINC001212759405 815130148 /nfs/dbraw/zinc/13/01/48/815130148.db2.gz LZZUVDXBUUURHF-UHFFFAOYSA-N -1 1 281.743 3.256 20 0 CGADMM Cc1c2ccccc2oc1[C@@H](C)NCc1cc(C(=O)[O-])n[nH]1 ZINC001262160181 807830513 /nfs/dbraw/zinc/83/05/13/807830513.db2.gz XCNJYXBWQQNFAJ-SNVBAGLBSA-N -1 1 299.330 3.013 20 0 CGADMM Cc1cc(F)c2[nH]ccc2c1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001212975934 815194015 /nfs/dbraw/zinc/19/40/15/815194015.db2.gz LYOWCEKOPZUOFC-UHFFFAOYSA-N -1 1 296.305 3.242 20 0 CGADMM Cc1nc2cc(-n3[n-]c(=O)c4ccc(N)cc43)ccc2s1 ZINC001213039063 815209069 /nfs/dbraw/zinc/20/90/69/815209069.db2.gz IIVYOKABPILOHT-UHFFFAOYSA-N -1 1 296.355 3.231 20 0 CGADMM C[C@@H]1CC[C@@H](NC2=CC=C[CH]2)CN1C(=O)OC(C)(C)C ZINC001173052690 808501533 /nfs/dbraw/zinc/50/15/33/808501533.db2.gz HHUHFVQECVUHOV-TZMCWYRMSA-N -1 1 277.388 3.022 20 0 CGADMM COc1ccccc1[N-]c1nnc(-c2ccco2)o1 ZINC001173839145 808701893 /nfs/dbraw/zinc/70/18/93/808701893.db2.gz NBKKZSAMMNVLFA-UHFFFAOYSA-N -1 1 257.249 3.082 20 0 CGADMM COc1cccc([N-]c2nnc(C(C)(C)C)o2)c1OC ZINC001174014362 808822395 /nfs/dbraw/zinc/82/23/95/808822395.db2.gz LVJYPOMBCJURJW-UHFFFAOYSA-N -1 1 277.324 3.128 20 0 CGADMM Cn1ncc2ccc(Nc3ccnc(Cl)c3[O-])cc21 ZINC001174340066 808961308 /nfs/dbraw/zinc/96/13/08/808961308.db2.gz QCXHMNGUSKLQJU-UHFFFAOYSA-N -1 1 274.711 3.071 20 0 CGADMM CC(C)c1nnc([N-]c2ccnc(C(F)(F)F)c2)o1 ZINC001174360463 808975658 /nfs/dbraw/zinc/97/56/58/808975658.db2.gz XLYAKLNJZVWPPZ-UHFFFAOYSA-N -1 1 272.230 3.350 20 0 CGADMM Cc1nonc1[N-]c1ccc(C(F)(F)F)cc1F ZINC001174399397 808996573 /nfs/dbraw/zinc/99/65/73/808996573.db2.gz KKINTWZJKDVHIO-UHFFFAOYSA-N -1 1 261.178 3.280 20 0 CGADMM CCOc1ccc(F)c(F)c1Nc1ncc(F)cc1[O-] ZINC001175281771 809337269 /nfs/dbraw/zinc/33/72/69/809337269.db2.gz KCIZLLNOUHXCFF-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM CCOc1ccc(F)c(F)c1[N-]c1noc2nccnc12 ZINC001175280267 809337426 /nfs/dbraw/zinc/33/74/26/809337426.db2.gz NBKYRTHFCHPFAV-UHFFFAOYSA-N -1 1 292.245 3.038 20 0 CGADMM C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(F)c([O-])c1 ZINC001290291575 809405545 /nfs/dbraw/zinc/40/55/45/809405545.db2.gz ZPHMXWLWPHOMRJ-NSHDSACASA-N -1 1 273.307 3.365 20 0 CGADMM Cc1c2c[nH]nc2ccc1Nc1ccnc(Cl)c1[O-] ZINC001175465683 809415257 /nfs/dbraw/zinc/41/52/57/809415257.db2.gz KUHPWSWYTVGZSN-UHFFFAOYSA-N -1 1 274.711 3.369 20 0 CGADMM C[S@@](=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001175479382 809422475 /nfs/dbraw/zinc/42/24/75/809422475.db2.gz PFGVJVFMENNBBB-LJQANCHMSA-N -1 1 283.299 3.151 20 0 CGADMM Cn1cc2c(cccc2Nc2ccnc(Cl)c2[O-])n1 ZINC001175589014 809464744 /nfs/dbraw/zinc/46/47/44/809464744.db2.gz FEZKCSNXEOWWMZ-UHFFFAOYSA-N -1 1 274.711 3.071 20 0 CGADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001296729339 809508318 /nfs/dbraw/zinc/50/83/18/809508318.db2.gz OYRBZBPGARSAJD-STQMWFEESA-N -1 1 276.380 3.122 20 0 CGADMM CC(C)n1cccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001297821476 809523926 /nfs/dbraw/zinc/52/39/26/809523926.db2.gz UXBAKKDMVHBXNK-UHFFFAOYSA-N -1 1 280.274 3.305 20 0 CGADMM COCc1csc(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001298974369 809542249 /nfs/dbraw/zinc/54/22/49/809542249.db2.gz QHFCMPYLHSYSJJ-UHFFFAOYSA-N -1 1 299.298 3.131 20 0 CGADMM CC[C@H](NC(=O)c1cccc([O-])c1F)[C@@H]1CC1(C)C ZINC001299550191 809552423 /nfs/dbraw/zinc/55/24/23/809552423.db2.gz IBLLFQHHUPRSSJ-QWRGUYRKSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2cc3ccccc3cc2[O-])O1 ZINC001300962632 809576649 /nfs/dbraw/zinc/57/66/49/809576649.db2.gz PMYGRTCVZGCQGN-IUODEOHRSA-N -1 1 299.370 3.233 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C(F)F)C2CCCCC2)c([O-])c1 ZINC001301062321 809578751 /nfs/dbraw/zinc/57/87/51/809578751.db2.gz ITXGLBNESDXQCE-LBPRGKRZSA-N -1 1 298.333 3.039 20 0 CGADMM Cc1cc(C)c(C(=O)Nc2cccc(F)c2[O-])c(C)n1 ZINC001302487158 809595559 /nfs/dbraw/zinc/59/55/59/809595559.db2.gz WHFFPNXUBZOZJY-UHFFFAOYSA-N -1 1 274.295 3.104 20 0 CGADMM CN(C)c1ncc(Nc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001176331897 809670973 /nfs/dbraw/zinc/67/09/73/809670973.db2.gz GKAAGPLNEHLLSV-UHFFFAOYSA-N -1 1 299.161 3.299 20 0 CGADMM O=C1Cc2cc(Nc3cc([O-])c(Cl)cc3F)ccc2N1 ZINC001176428620 809694109 /nfs/dbraw/zinc/69/41/09/809694109.db2.gz LMLLNOVBUASTLE-UHFFFAOYSA-N -1 1 292.697 3.423 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2nc3c(s2)CCC3)c1F ZINC001176663467 809736941 /nfs/dbraw/zinc/73/69/41/809736941.db2.gz FXGVYLNILGPINC-UHFFFAOYSA-N -1 1 286.278 3.498 20 0 CGADMM CCN(C)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cn1 ZINC001176662974 809737001 /nfs/dbraw/zinc/73/70/01/809737001.db2.gz FJJFZEJXKZIKCU-UHFFFAOYSA-N -1 1 297.280 3.404 20 0 CGADMM Cc1ccnc(F)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176664859 809738184 /nfs/dbraw/zinc/73/81/84/809738184.db2.gz WGPLHVZOCZOAMI-UHFFFAOYSA-N -1 1 272.201 3.396 20 0 CGADMM O=c1[nH]cc(Cl)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664112 809738745 /nfs/dbraw/zinc/73/87/45/809738745.db2.gz KTPIJNURHUZIRO-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM Nc1cc(F)c(F)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672156 809740041 /nfs/dbraw/zinc/74/00/41/809740041.db2.gz USAQHFWUYVPPCD-UHFFFAOYSA-N -1 1 290.191 3.414 20 0 CGADMM NC(=O)Nc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670675 809740131 /nfs/dbraw/zinc/74/01/31/809740131.db2.gz KKGJFNATKSGRIM-UHFFFAOYSA-N -1 1 297.236 3.044 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cc(F)ccc2O)c1F ZINC001176671478 809740256 /nfs/dbraw/zinc/74/02/56/809740256.db2.gz FJMSHFQRMKGNSO-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM COc1cccc(CO)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176670781 809740333 /nfs/dbraw/zinc/74/03/33/809740333.db2.gz KOMIWUHIEUYDPZ-UHFFFAOYSA-N -1 1 299.248 3.054 20 0 CGADMM CC(C)c1nnc([N-]c2ccc(Cl)cc2N)o1 ZINC001213644114 815316084 /nfs/dbraw/zinc/31/60/84/815316084.db2.gz LPWACOYFKKCUTK-UHFFFAOYSA-N -1 1 252.705 3.172 20 0 CGADMM C[C@@H]1CC=C(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC001178785543 809887761 /nfs/dbraw/zinc/88/77/61/809887761.db2.gz WMFDFPLGTSDIIA-SNVBAGLBSA-N -1 1 295.329 3.076 20 0 CGADMM CC(C)(CNC(=O)c1ccc([O-])c(F)c1)CC1CC1 ZINC001186242874 810323282 /nfs/dbraw/zinc/32/32/82/810323282.db2.gz SBQSICXZHAGEOX-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM O=C(Nc1cc(C2CCCC2)no1)c1ccc([O-])cc1F ZINC001186310930 810326635 /nfs/dbraw/zinc/32/66/35/810326635.db2.gz ICOFGWKNLQLOJT-UHFFFAOYSA-N -1 1 290.294 3.429 20 0 CGADMM Cc1cccc(C)c1CNC(=O)c1ccc([O-])cc1F ZINC001186337223 810328805 /nfs/dbraw/zinc/32/88/05/810328805.db2.gz GTQUNORVKCUTNX-UHFFFAOYSA-N -1 1 273.307 3.078 20 0 CGADMM O=C(NCC1CCCCC1)Nc1cc(F)c(F)cc1[O-] ZINC001186880749 810369619 /nfs/dbraw/zinc/36/96/19/810369619.db2.gz HZALCBIKAQEFCD-UHFFFAOYSA-N -1 1 284.306 3.372 20 0 CGADMM Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c[nH]1 ZINC001188200962 810468331 /nfs/dbraw/zinc/46/83/31/810468331.db2.gz JRWXZTCMKATULX-UHFFFAOYSA-N -1 1 284.237 3.300 20 0 CGADMM O=C(Nc1cccc(Cl)c1F)Nc1ncccc1[O-] ZINC001188375182 810479275 /nfs/dbraw/zinc/47/92/75/810479275.db2.gz DPJFRUYFQFDTSS-UHFFFAOYSA-N -1 1 281.674 3.224 20 0 CGADMM CC(C)c1cccc([N-]S(=O)(=O)CC2CCCC2)n1 ZINC001191488357 810719864 /nfs/dbraw/zinc/71/98/64/810719864.db2.gz AYICVZBLGQGZQN-UHFFFAOYSA-N -1 1 282.409 3.137 20 0 CGADMM Cc1ncnc(C)c1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192314482 810786038 /nfs/dbraw/zinc/78/60/38/810786038.db2.gz RIVYOVVJQAZHIO-UHFFFAOYSA-N -1 1 299.374 3.349 20 0 CGADMM Cc1nsc(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214477513 815415124 /nfs/dbraw/zinc/41/51/24/815415124.db2.gz SJZHYCQRGPAFBQ-UHFFFAOYSA-N -1 1 259.693 3.088 20 0 CGADMM Cn1cnc2cc(Nc3cc(F)c([O-])c(Cl)c3)cnc21 ZINC001214480213 815415310 /nfs/dbraw/zinc/41/53/10/815415310.db2.gz PILJZQPMHGZTBJ-UHFFFAOYSA-N -1 1 292.701 3.210 20 0 CGADMM CC1(C)C[C@]1(C)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001194234345 811040288 /nfs/dbraw/zinc/04/02/88/811040288.db2.gz UEIPLDRFSKNBCQ-OAHLLOKOSA-N -1 1 293.388 3.147 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(-c2ccco2)cc1 ZINC001195483436 811260224 /nfs/dbraw/zinc/26/02/24/811260224.db2.gz FCPXOEFWLLQPDM-UHFFFAOYSA-N -1 1 290.344 3.390 20 0 CGADMM CCc1nnc([N-]c2ccc(C(C)=O)c(F)c2F)s1 ZINC001214976662 815471142 /nfs/dbraw/zinc/47/11/42/815471142.db2.gz CNZGATKJWUKAGZ-UHFFFAOYSA-N -1 1 283.303 3.325 20 0 CGADMM O=C(Nc1ccccc1)Nc1c(F)cc([O-])cc1F ZINC001201956717 811984302 /nfs/dbraw/zinc/98/43/02/811984302.db2.gz QLYYGMLHYDSDIO-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])Nc1c(F)cccc1F ZINC001202041468 812003191 /nfs/dbraw/zinc/00/31/91/812003191.db2.gz IWGMRXZKLHDLEX-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM O=C(Nc1ccc(F)cc1)Nc1cc(F)c(F)cc1[O-] ZINC001202354518 812070809 /nfs/dbraw/zinc/07/08/09/812070809.db2.gz MAMUDHBDJPCYJJ-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM [O-]c1cc(Nc2ccc(F)c3n[nH]cc32)cc(F)c1F ZINC001215377239 815512382 /nfs/dbraw/zinc/51/23/82/815512382.db2.gz BBJHICYTJIHNOI-UHFFFAOYSA-N -1 1 279.221 3.429 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1c(F)cc(C)cc1OC ZINC001215706332 815563097 /nfs/dbraw/zinc/56/30/97/815563097.db2.gz ZWRYLCFQELNJGY-UHFFFAOYSA-N -1 1 294.282 3.051 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc4ncsc4c3)no2)nn1 ZINC001205293544 812934298 /nfs/dbraw/zinc/93/42/98/812934298.db2.gz DUANRARMZIXPBA-UHFFFAOYSA-N -1 1 297.299 3.070 20 0 CGADMM Cc1cc(N)cc2cnn(-c3cccc(Cl)c3[O-])c21 ZINC001210222568 814348370 /nfs/dbraw/zinc/34/83/70/814348370.db2.gz OTJSGOINBSSVHU-UHFFFAOYSA-N -1 1 273.723 3.275 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc(OC(F)F)nc1 ZINC001210301269 814393279 /nfs/dbraw/zinc/39/32/79/814393279.db2.gz OUGZJQHFUGVQNJ-UHFFFAOYSA-N -1 1 288.200 3.410 20 0 CGADMM CC(C)n1ccc(Nc2ccc(F)c(F)c2[O-])n1 ZINC001210345269 814415223 /nfs/dbraw/zinc/41/52/23/814415223.db2.gz GLHQZZBAWGHRQA-UHFFFAOYSA-N -1 1 253.252 3.191 20 0 CGADMM [O-]c1cc(Nc2ccnc(OC3CC3)c2)cc(F)c1F ZINC001210749641 814610621 /nfs/dbraw/zinc/61/06/21/814610621.db2.gz KFFNXDURIZKORE-UHFFFAOYSA-N -1 1 278.258 3.350 20 0 CGADMM CCc1nnc([N-]c2ccc3ccccc3n2)s1 ZINC001210812549 814639594 /nfs/dbraw/zinc/63/95/94/814639594.db2.gz GTQLOPUNOPLOOW-UHFFFAOYSA-N -1 1 256.334 3.392 20 0 CGADMM CC(C)c1nnc([N-]c2ccc(OC(F)(F)F)nc2)o1 ZINC001210818924 814642624 /nfs/dbraw/zinc/64/26/24/814642624.db2.gz APHILNMHHDFSMV-UHFFFAOYSA-N -1 1 288.229 3.230 20 0 CGADMM COC(=O)c1ccc(-c2cccc([O-])c2Cl)nc1C ZINC001242798750 823135834 /nfs/dbraw/zinc/13/58/34/823135834.db2.gz YABOMGMNULDXOU-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CN1Cc2c(cccc2-c2cccc([O-])c2Cl)C1=O ZINC001242799313 823135855 /nfs/dbraw/zinc/13/58/55/823135855.db2.gz DVUFFCPHGDTPOB-UHFFFAOYSA-N -1 1 273.719 3.298 20 0 CGADMM COC(=O)Cc1ccccc1-c1cccc([O-])c1Cl ZINC001242799390 823135884 /nfs/dbraw/zinc/13/58/84/823135884.db2.gz IQRHCLVVCANZFX-UHFFFAOYSA-N -1 1 276.719 3.428 20 0 CGADMM COC(=O)[C@@H](C)c1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242799600 823136830 /nfs/dbraw/zinc/13/68/30/823136830.db2.gz UBNFJRWZSTVEMD-VIFPVBQESA-N -1 1 291.734 3.384 20 0 CGADMM Cc1nc(-c2cccc([O-])c2Cl)cc(N2CCCC2)n1 ZINC001242799097 823136053 /nfs/dbraw/zinc/13/60/53/823136053.db2.gz TTWCBUUZXIVLGL-UHFFFAOYSA-N -1 1 289.766 3.411 20 0 CGADMM [O-]c1cccc(-c2nccnc2OC2CCC2)c1Cl ZINC001242799925 823136195 /nfs/dbraw/zinc/13/61/95/823136195.db2.gz AGUPHSTUYIISGU-UHFFFAOYSA-N -1 1 276.723 3.434 20 0 CGADMM [O-]c1cc(Nc2cnn3ccccc23)cc(F)c1F ZINC001211097729 814743750 /nfs/dbraw/zinc/74/37/50/814743750.db2.gz PZUBTALTWUFYGW-UHFFFAOYSA-N -1 1 261.231 3.062 20 0 CGADMM Cc1nc2c(ccn2C)c(-c2cccc([O-])c2Cl)n1 ZINC001242800883 823136941 /nfs/dbraw/zinc/13/69/41/823136941.db2.gz LUJGPUMMXJTTJH-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM CCc1nc(-c2cccc([O-])c2Cl)ncc1F ZINC001242800945 823137159 /nfs/dbraw/zinc/13/71/59/823137159.db2.gz MUVDCZXVJYCFAE-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM CC(=O)Nc1ccc(-c2cccc([O-])c2Cl)c(C)n1 ZINC001242801911 823137352 /nfs/dbraw/zinc/13/73/52/823137352.db2.gz GGLWGXIAYKYNSD-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM Cc1cc2c(cc1-c1cc(F)c([O-])cc1F)CC(=O)N2 ZINC001211359128 814885781 /nfs/dbraw/zinc/88/57/81/814885781.db2.gz BLXCNQNNERGEGW-UHFFFAOYSA-N -1 1 275.254 3.140 20 0 CGADMM Cc1cc(-c2noc(-c3ccc(F)c([O-])c3)n2)cc(C)n1 ZINC001215843063 815611535 /nfs/dbraw/zinc/61/15/35/815611535.db2.gz YTAOPOWOCUNEAE-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM COc1ccccc1-c1noc(-c2cccc([O-])c2F)n1 ZINC001215984449 815651139 /nfs/dbraw/zinc/65/11/39/815651139.db2.gz RLHHSQJCVNVLKB-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM [O-]c1cc(F)cc(-c2nc(-c3ccccc3F)no2)c1 ZINC001216336219 815790005 /nfs/dbraw/zinc/79/00/05/815790005.db2.gz NLFQTPIVRQEPAC-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM Cc1cccnc1-c1noc(-c2c(F)ccc([O-])c2F)n1 ZINC001216920114 815901989 /nfs/dbraw/zinc/90/19/89/815901989.db2.gz HDEWITAWXIOLCK-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1c(-c2cc(F)c([O-])cc2F)ccc2nccn21 ZINC001222083189 816343507 /nfs/dbraw/zinc/34/35/07/816343507.db2.gz SHPPKNQSGCGGDH-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM Cn1cnc2cccc(-c3cc(F)c([O-])cc3F)c21 ZINC001222083193 816343745 /nfs/dbraw/zinc/34/37/45/816343745.db2.gz SOVNBHMUZCMYKD-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CC(C)[C@H]1CC[C@H](OCCCC[P@](=O)([O-])O)CC1 ZINC001225018595 816932801 /nfs/dbraw/zinc/93/28/01/816932801.db2.gz BQXWKANDJXKUSR-JOCQHMNTSA-N -1 1 278.329 3.176 20 0 CGADMM CC/C=C(\C)[C@@H](CC)OCCCC[P@](=O)([O-])O ZINC001225018617 816933266 /nfs/dbraw/zinc/93/32/66/816933266.db2.gz CIUSYSSOXKRCMW-JATZPVMKSA-N -1 1 264.302 3.096 20 0 CGADMM C[C@@H](OCCCC[P@](=O)([O-])O)c1ccc(F)c(F)c1 ZINC001225019084 816934682 /nfs/dbraw/zinc/93/46/82/816934682.db2.gz QUWAKCVDBATFDH-SECBINFHSA-N -1 1 294.234 3.000 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)c1ccncc1F ZINC001225618710 817114171 /nfs/dbraw/zinc/11/41/71/817114171.db2.gz IPZGQWGKKDPELF-JTQLQIEISA-N -1 1 275.279 3.269 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H](C)COC(C)(C)C ZINC001225616316 817114419 /nfs/dbraw/zinc/11/44/19/817114419.db2.gz IHRKCEAJOIOZAC-SNVBAGLBSA-N -1 1 266.337 3.177 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCCC[C@H]1F ZINC001225619969 817115971 /nfs/dbraw/zinc/11/59/71/817115971.db2.gz YXVUNOSTNRKANH-CHWSQXEVSA-N -1 1 252.285 3.254 20 0 CGADMM CC[C@H](C)[C@H](C)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225678516 817137821 /nfs/dbraw/zinc/13/78/21/817137821.db2.gz IEWARASCXQUJBB-WPRPVWTQSA-N -1 1 252.310 3.114 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H](c1ccccc1)C1CC1 ZINC001226243096 817308720 /nfs/dbraw/zinc/30/87/20/817308720.db2.gz SNDGKGCZMCPCND-CYBMUJFWSA-N -1 1 288.372 3.304 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(OC(C3CC3)C3CC3)c12 ZINC001226484865 817372793 /nfs/dbraw/zinc/37/27/93/817372793.db2.gz IWCXVUQSVSSBOM-UHFFFAOYSA-N -1 1 286.327 3.374 20 0 CGADMM O=c1[n-]cncc1O[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001227050535 817542981 /nfs/dbraw/zinc/54/29/81/817542981.db2.gz ANBOQXDPJVRJGJ-KGLIPLIRSA-N -1 1 270.332 3.287 20 0 CGADMM O=c1[n-]cncc1O[C@H]1Cc2cccc3cccc1c23 ZINC001227049921 817543429 /nfs/dbraw/zinc/54/34/29/817543429.db2.gz YHRCUFNFEYQPKP-ZDUSSCGKSA-N -1 1 264.284 3.012 20 0 CGADMM COCC(=O)c1ccc([O-])cc1OC1CCCCCC1 ZINC001227167955 817578348 /nfs/dbraw/zinc/57/83/48/817578348.db2.gz BMJPXHRPOWBRSL-UHFFFAOYSA-N -1 1 278.348 3.323 20 0 CGADMM Cc1ccc2c(c1)[C@H](Oc1[n-]c(=S)ncc1F)CC2 ZINC001227386211 817636428 /nfs/dbraw/zinc/63/64/28/817636428.db2.gz RYCIYOXNYTYXLV-GFCCVEGCSA-N -1 1 276.336 3.279 20 0 CGADMM Fc1cnc(=S)[n-]c1O[C@@H]1CCc2c1nccc2Cl ZINC001227383833 817637162 /nfs/dbraw/zinc/63/71/62/817637162.db2.gz RYEDXSFZNIPCIK-SECBINFHSA-N -1 1 297.742 3.019 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1cccnc1Cl ZINC001227384341 817637361 /nfs/dbraw/zinc/63/73/61/817637361.db2.gz XGDDTQJVADPKCJ-ZCFIWIBFSA-N -1 1 285.731 3.093 20 0 CGADMM C[C@@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1cccc(F)c1 ZINC001227713134 817700449 /nfs/dbraw/zinc/70/04/49/817700449.db2.gz NFDDAUKPXUKHMQ-BDAKNGLRSA-N -1 1 290.294 3.053 20 0 CGADMM Cc1ccc2c(c1)[C@H](Oc1[n-]c(=O)nc3c1CO[C@@H]3C)CC2 ZINC001227710671 817701131 /nfs/dbraw/zinc/70/11/31/817701131.db2.gz OWPDSSGEWQUKJI-QMTHXVAHSA-N -1 1 298.342 3.148 20 0 CGADMM CC(C)(C)[C@H]1CC[C@H](Oc2cnnc(=S)[n-]2)CC1 ZINC001228641546 817961640 /nfs/dbraw/zinc/96/16/40/817961640.db2.gz FVJVHNVCCFXMBG-MGCOHNPYSA-N -1 1 267.398 3.144 20 0 CGADMM Cc1nc2c(s1)CN(Cc1cccc([O-])c1Cl)CC2 ZINC001232787885 818440729 /nfs/dbraw/zinc/44/07/29/818440729.db2.gz DNCPRTNIWZCZQW-UHFFFAOYSA-N -1 1 294.807 3.369 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@@H]2c2cccnc2)c1F ZINC001232931960 818475601 /nfs/dbraw/zinc/47/56/01/818475601.db2.gz URVJUTXQLHNYIF-CQSZACIVSA-N -1 1 290.313 3.403 20 0 CGADMM [O-]c1cc(CN2CCOc3ccccc3C2)cc(F)c1F ZINC001232971880 818487920 /nfs/dbraw/zinc/48/79/20/818487920.db2.gz RCVUVMNJAZVFKX-UHFFFAOYSA-N -1 1 291.297 3.065 20 0 CGADMM [O-]c1cc(CN2Cc3cnc(Cl)cc3C2)cc(F)c1F ZINC001232974423 818489436 /nfs/dbraw/zinc/48/94/36/818489436.db2.gz NSDCCCBKKHKAMU-UHFFFAOYSA-N -1 1 296.704 3.235 20 0 CGADMM C[C@@H]1c2cccn2CCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232975122 818490828 /nfs/dbraw/zinc/49/08/28/818490828.db2.gz DOWNROWLOCOKSB-SNVBAGLBSA-N -1 1 278.302 3.049 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCC[C@H](F)C(F)(F)C1 ZINC001233032786 818504275 /nfs/dbraw/zinc/50/42/75/818504275.db2.gz TTXIVUZSEMVQLY-JTQLQIEISA-N -1 1 294.704 3.010 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CC[C@H]1c1ccccc1 ZINC001233039329 818507281 /nfs/dbraw/zinc/50/72/81/818507281.db2.gz UBQCBSGMZNPQFW-ZDUSSCGKSA-N -1 1 274.751 3.388 20 0 CGADMM Cc1cccc(N2CCN(Cc3ccc([S-])cc3)CC2)n1 ZINC001233258498 818556828 /nfs/dbraw/zinc/55/68/28/818556828.db2.gz HHWGTSPACGXEBG-UHFFFAOYSA-N -1 1 299.443 3.001 20 0 CGADMM CSc1cccc(-c2ccc([O-])c(F)c2F)n1 ZINC001243338335 823353080 /nfs/dbraw/zinc/35/30/80/823353080.db2.gz DNKSZSZMURPYNG-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM [O-]c1ccc(-c2ccc3ccncc3n2)c(F)c1F ZINC001243340079 823354182 /nfs/dbraw/zinc/35/41/82/823354182.db2.gz XOXPTKPJSUEOKV-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COC(=O)c1c(F)cccc1-c1ccc([O-])c(F)c1F ZINC001243341775 823356436 /nfs/dbraw/zinc/35/64/36/823356436.db2.gz XVPQLJLONQZDAU-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM [O-]c1ccc(-c2ccnc(N3CCCC3)c2)c(F)c1F ZINC001243343026 823359006 /nfs/dbraw/zinc/35/90/06/823359006.db2.gz WASKDJWHDDAVAP-UHFFFAOYSA-N -1 1 276.286 3.333 20 0 CGADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@@H](C)CCC=C(C)C ZINC001234611171 818891181 /nfs/dbraw/zinc/89/11/81/818891181.db2.gz ZRFVQWYGFPPZQQ-JTQLQIEISA-N -1 1 297.326 3.227 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cnc(C)s3)ccc2[n-]1 ZINC001243380703 823381911 /nfs/dbraw/zinc/38/19/11/823381911.db2.gz DTJKRBAANPJITL-UHFFFAOYSA-N -1 1 287.344 3.172 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cnc(C)s3)cc2[n-]1 ZINC001243380703 823381918 /nfs/dbraw/zinc/38/19/18/823381918.db2.gz DTJKRBAANPJITL-UHFFFAOYSA-N -1 1 287.344 3.172 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cnc(F)c(C)c3)ccc2[n-]1 ZINC001243399987 823393267 /nfs/dbraw/zinc/39/32/67/823393267.db2.gz FWKOSALLSCOTPR-UHFFFAOYSA-N -1 1 299.305 3.249 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cnc(F)c(C)c3)cc2[n-]1 ZINC001243399987 823393271 /nfs/dbraw/zinc/39/32/71/823393271.db2.gz FWKOSALLSCOTPR-UHFFFAOYSA-N -1 1 299.305 3.249 20 0 CGADMM Cc1ccc(F)c(-c2cc(C3(C)OCCO3)ccn2)c1[O-] ZINC001236389494 819445830 /nfs/dbraw/zinc/44/58/30/819445830.db2.gz GFUVNWGDKKIDTG-UHFFFAOYSA-N -1 1 289.306 3.121 20 0 CGADMM Cc1ccc(F)c(-c2nnc(-n3ccnc3)c(C)c2C)c1[O-] ZINC001236391703 819447194 /nfs/dbraw/zinc/44/71/94/819447194.db2.gz NNXCTQIWNFEZDS-UHFFFAOYSA-N -1 1 298.321 3.099 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)cc(F)c2[O-])cc1C ZINC001243504442 823422437 /nfs/dbraw/zinc/42/24/37/823422437.db2.gz OZSCRZKTMSGMSJ-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM COC(=O)c1ccc(OC)cc1-c1cc(F)cc(F)c1[O-] ZINC001243503756 823422608 /nfs/dbraw/zinc/42/26/08/823422608.db2.gz HGSIFUIFDBQDGC-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc2[nH]cnc2c1F ZINC001243504464 823422619 /nfs/dbraw/zinc/42/26/19/823422619.db2.gz NMODTOHAIVSNGV-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc2c(c1)CCOC2 ZINC001243505222 823423147 /nfs/dbraw/zinc/42/31/47/823423147.db2.gz XRCXOXNPLCQEAP-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM CC1(C)NC(=O)c2cc(-c3cc(F)cc(F)c3[O-])ccc21 ZINC001243507035 823424518 /nfs/dbraw/zinc/42/45/18/823424518.db2.gz RENDXEJIZGXSKY-UHFFFAOYSA-N -1 1 289.281 3.316 20 0 CGADMM Cc1ccc(-c2cnnc(-c3cccc([O-])c3F)n2)cc1 ZINC001243543197 823436269 /nfs/dbraw/zinc/43/62/69/823436269.db2.gz RPNSJOMXVBSLSG-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2C)cn1 ZINC001238143313 819940203 /nfs/dbraw/zinc/94/02/03/819940203.db2.gz CANIFEVNGIKNGK-UHFFFAOYSA-N -1 1 284.359 3.029 20 0 CGADMM [O-]c1cc(-c2ncnc3cnc(F)cc32)ccc1Cl ZINC001243576155 823451492 /nfs/dbraw/zinc/45/14/92/823451492.db2.gz CXMUAANMLWROOA-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM COC(=O)c1cc(-c2ccc(Cl)c([O-])c2)cnc1C ZINC001243581002 823453694 /nfs/dbraw/zinc/45/36/94/823453694.db2.gz ICEABZUTZHINLC-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM [O-]c1cc(-c2cc(-c3nnco3)ccn2)ccc1Cl ZINC001243579357 823452649 /nfs/dbraw/zinc/45/26/49/823452649.db2.gz RDYBLIZGJPNSRS-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM Cc1noc(-c2ccc(-c3ccc(Cl)c([O-])c3)nc2)n1 ZINC001243579705 823452777 /nfs/dbraw/zinc/45/27/77/823452777.db2.gz XQOQHOXGCGOWTG-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM [O-]c1cc(-c2cc(O[C@@H]3CCOC3)ccn2)ccc1Cl ZINC001243581612 823454007 /nfs/dbraw/zinc/45/40/07/823454007.db2.gz KFTCVKSPBKRELT-GFCCVEGCSA-N -1 1 291.734 3.275 20 0 CGADMM O=C1COc2cc(-c3ccc(Cl)c([O-])c3)ccc2N1 ZINC001243581442 823454017 /nfs/dbraw/zinc/45/40/17/823454017.db2.gz DEMNMARYQSJLPA-UHFFFAOYSA-N -1 1 275.691 3.044 20 0 CGADMM CC(C)NC(=O)c1cncc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243584647 823456029 /nfs/dbraw/zinc/45/60/29/823456029.db2.gz XDGFAXFXRNLELI-UHFFFAOYSA-N -1 1 290.750 3.246 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1ncnc2cnccc21 ZINC001243608552 823466341 /nfs/dbraw/zinc/46/63/41/823466341.db2.gz KOIQSFOFKURVLP-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM COc1cccc(-c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001243609373 823466378 /nfs/dbraw/zinc/46/63/78/823466378.db2.gz QEHNWPBDZGUUCS-UHFFFAOYSA-N -1 1 269.222 3.482 20 0 CGADMM COC(=O)c1nc2cc(-c3ccsc3C)ccc2[n-]1 ZINC001240502072 821099688 /nfs/dbraw/zinc/09/96/88/821099688.db2.gz GUXQBRAFIWPLLH-UHFFFAOYSA-N -1 1 272.329 3.386 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccsc3C)cc2[n-]1 ZINC001240502072 821099694 /nfs/dbraw/zinc/09/96/94/821099694.db2.gz GUXQBRAFIWPLLH-UHFFFAOYSA-N -1 1 272.329 3.386 20 0 CGADMM Cc1n[nH]cc1-c1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC001240523450 821120389 /nfs/dbraw/zinc/12/03/89/821120389.db2.gz VSKXSXWREHEWJC-QMMMGPOBSA-N -1 1 297.280 3.125 20 0 CGADMM Nc1cc(-c2cc(F)ccc2[O-])nc(C(F)(F)F)c1 ZINC001240694179 821249682 /nfs/dbraw/zinc/24/96/82/821249682.db2.gz PKKGVMURTSJCAX-UHFFFAOYSA-N -1 1 272.201 3.194 20 0 CGADMM COc1cc(C(=O)[O-])ccc1-c1cc2[nH]ccc2c(C)n1 ZINC001240734051 821287167 /nfs/dbraw/zinc/28/71/67/821287167.db2.gz LZXHWJZFROTAJP-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM CN(C)Cc1cccc(-c2ccc(C(=O)[O-])s2)c1F ZINC001240848062 821368667 /nfs/dbraw/zinc/36/86/67/821368667.db2.gz CYHSNMYRZKWOGD-UHFFFAOYSA-N -1 1 279.336 3.314 20 0 CGADMM Cc1c2[nH]cnc2ccc1-c1ccc(CC(=O)[O-])cc1 ZINC001240973884 821458533 /nfs/dbraw/zinc/45/85/33/821458533.db2.gz PYOPIRMROICNRR-UHFFFAOYSA-N -1 1 266.300 3.165 20 0 CGADMM Cc1cc(-c2c(F)cc([O-])cc2F)nc(C2CC2)n1 ZINC001241119804 821576068 /nfs/dbraw/zinc/57/60/68/821576068.db2.gz QVRVXKHOMOMCRT-UHFFFAOYSA-N -1 1 262.259 3.313 20 0 CGADMM Cn1c(=O)ccc2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241120826 821577322 /nfs/dbraw/zinc/57/73/22/821577322.db2.gz MZZPHFMCXYLPJL-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3nnccc3c2)c(F)c1 ZINC001241120871 821577683 /nfs/dbraw/zinc/57/76/83/821577683.db2.gz PKADUJJRLFXCPS-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Cc1nc2ccc(-c3ccc(C(=O)[O-])c(F)c3)cc2[nH]1 ZINC001241185606 821622496 /nfs/dbraw/zinc/62/24/96/821622496.db2.gz WFDIJCAUEUDKFM-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM COc1nc(-c2cc([O-])cc(F)c2)nc2ccsc21 ZINC001241255782 821675836 /nfs/dbraw/zinc/67/58/36/821675836.db2.gz DFOBWIIHKOKUTK-UHFFFAOYSA-N -1 1 276.292 3.212 20 0 CGADMM Cc1cnc(-c2cc([O-])cc(F)c2)nc1NCC1CC1 ZINC001241256817 821676877 /nfs/dbraw/zinc/67/68/77/821676877.db2.gz BGIMUUBBDYDCDB-UHFFFAOYSA-N -1 1 273.311 3.119 20 0 CGADMM [O-]c1ccc(F)c(-c2ncc3c(n2)CCCC3)c1F ZINC001241290380 821706319 /nfs/dbraw/zinc/70/63/19/821706319.db2.gz REJOXDGLGYQEBA-UHFFFAOYSA-N -1 1 262.259 3.006 20 0 CGADMM COc1nc(-c2c(F)ccc([O-])c2F)nc2ccsc21 ZINC001241289108 821706420 /nfs/dbraw/zinc/70/64/20/821706420.db2.gz LCDDUNIDIOAQFC-UHFFFAOYSA-N -1 1 294.282 3.351 20 0 CGADMM CN(C)Cc1cc(-c2cc(F)cc(C(=O)[O-])c2)ccc1F ZINC001241837144 822172790 /nfs/dbraw/zinc/17/27/90/822172790.db2.gz MQIJRDXUGPRVTC-UHFFFAOYSA-N -1 1 291.297 3.392 20 0 CGADMM COc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nc1OC ZINC001242131900 822888662 /nfs/dbraw/zinc/88/86/62/822888662.db2.gz LUCUOGDCICREOH-UHFFFAOYSA-N -1 1 299.248 3.490 20 0 CGADMM Cc1cn2cc(-c3cc(C(F)(F)F)ccc3[O-])ncc2n1 ZINC001242139457 822890267 /nfs/dbraw/zinc/89/02/67/822890267.db2.gz APDIIGALWPOSLN-UHFFFAOYSA-N -1 1 293.248 3.429 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1cn2ccnc2cn1 ZINC001242139911 822890839 /nfs/dbraw/zinc/89/08/39/822890839.db2.gz NGQWQHHGIMWCGJ-UHFFFAOYSA-N -1 1 279.221 3.121 20 0 CGADMM COC(=O)c1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242147869 822894185 /nfs/dbraw/zinc/89/41/85/822894185.db2.gz GTJUZRPXVKJEKC-UHFFFAOYSA-N -1 1 297.232 3.260 20 0 CGADMM Cn1ccc2c1ncnc2-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242148303 822894473 /nfs/dbraw/zinc/89/44/73/822894473.db2.gz SEBNYDMWJQIOPZ-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM Cc1cc(-c2ccc([O-])c(C(F)(F)F)c2)nnc1C ZINC001242153395 822896611 /nfs/dbraw/zinc/89/66/11/822896611.db2.gz WTOLNMBSIMVULL-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM COC(=O)c1nc2ccc(-c3cncc(C4CC4)c3)cc2[n-]1 ZINC001242197837 822908127 /nfs/dbraw/zinc/90/81/27/822908127.db2.gz VSJVPDYMBWUBHH-UHFFFAOYSA-N -1 1 293.326 3.289 20 0 CGADMM COC(=O)c1nc2cc(-c3cncc(C4CC4)c3)ccc2[n-]1 ZINC001242197837 822908130 /nfs/dbraw/zinc/90/81/30/822908130.db2.gz VSJVPDYMBWUBHH-UHFFFAOYSA-N -1 1 293.326 3.289 20 0 CGADMM COc1c(F)ccc(-c2ccc(F)cc2[O-])c1F ZINC001242218763 822915753 /nfs/dbraw/zinc/91/57/53/822915753.db2.gz OUICDCSCRUKIKN-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CN(C)C(=O)c1ccc(F)c(-c2ccc(F)cc2[O-])c1 ZINC001242222575 822917524 /nfs/dbraw/zinc/91/75/24/822917524.db2.gz ZBQSVCXVWDJPAY-UHFFFAOYSA-N -1 1 277.270 3.039 20 0 CGADMM COC(=O)c1cc(-c2cccc(F)c2[O-])c(F)cc1F ZINC001242350435 822960708 /nfs/dbraw/zinc/96/07/08/822960708.db2.gz FMJVKXKZXYKIPJ-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM [O-]c1c(Cl)cccc1-c1cnc2nccnc2c1 ZINC001242364370 822968190 /nfs/dbraw/zinc/96/81/90/822968190.db2.gz JTWDVCOULXCXLF-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM NC(=O)c1ccc2cc(-c3cccc(Cl)c3[O-])ccc2n1 ZINC001242367926 822970019 /nfs/dbraw/zinc/97/00/19/822970019.db2.gz QQRDHBHEHKEKHV-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM CN(C)Cc1ccc(-c2cccc(C(=O)[O-])c2F)cc1F ZINC001242382004 822975349 /nfs/dbraw/zinc/97/53/49/822975349.db2.gz LFBIXODISPGCAX-UHFFFAOYSA-N -1 1 291.297 3.392 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc([C@@H](C)O)c3)ccc2[n-]1 ZINC001242547718 823027339 /nfs/dbraw/zinc/02/73/39/823027339.db2.gz BYNLQMQNIHYXRP-SNVBAGLBSA-N -1 1 296.326 3.070 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc([C@@H](C)O)c3)cc2[n-]1 ZINC001242547718 823027342 /nfs/dbraw/zinc/02/73/42/823027342.db2.gz BYNLQMQNIHYXRP-SNVBAGLBSA-N -1 1 296.326 3.070 20 0 CGADMM CCCN(C(=O)c1cnncc1[O-])[C@@H](CC)c1ccccc1 ZINC001338817143 936334299 /nfs/dbraw/zinc/33/42/99/936334299.db2.gz RHIXGMNEGOEDSO-HNNXBMFYSA-N -1 1 299.374 3.186 20 0 CGADMM O=C(C[C@@H]1C=CCC1)Nc1cc(F)c([O-])cc1Cl ZINC001342541254 936469962 /nfs/dbraw/zinc/46/99/62/936469962.db2.gz OXAOXOCZMMSSLK-MRVPVSSYSA-N -1 1 269.703 3.480 20 0 CGADMM C[C@]1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C=CCC1 ZINC001351163026 937009837 /nfs/dbraw/zinc/00/98/37/937009837.db2.gz AUZOTNCADSNWLU-INIZCTEOSA-N -1 1 283.331 3.077 20 0 CGADMM C[C@@H]1CCc2[n-]n([C@@H]3CCOC4(CCCC4)C3)c(=O)c2C1 ZINC001352085487 937035177 /nfs/dbraw/zinc/03/51/77/937035177.db2.gz TUKRHNNJILPKRY-MCIONIFRSA-N -1 1 290.407 3.113 20 0 CGADMM O=C(NCC[C@@H]1CCC(F)(F)C1)c1c([O-])cccc1F ZINC001355401656 937139887 /nfs/dbraw/zinc/13/98/87/937139887.db2.gz DHLWEXMGKGQDTG-VIFPVBQESA-N -1 1 287.281 3.087 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC=C(c2ccccc2)C1 ZINC000336597532 927214820 /nfs/dbraw/zinc/21/48/20/927214820.db2.gz WIIWUZPGUCKXSE-UHFFFAOYSA-N -1 1 283.302 3.071 20 0 CGADMM O=C([N-]c1cnoc1)c1cc(Cl)cc(Cl)c1F ZINC001357928704 937183317 /nfs/dbraw/zinc/18/33/17/937183317.db2.gz DOMWVOBCVJPYLX-UHFFFAOYSA-N -1 1 275.066 3.373 20 0 CGADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(F)s1 ZINC001358032827 937185950 /nfs/dbraw/zinc/18/59/50/937185950.db2.gz AFWFDJLTJKBFMP-UHFFFAOYSA-N -1 1 297.258 3.010 20 0 CGADMM Cc1nc(SCc2ncoc2C(C)C)[n-]c(=O)c1C ZINC001319971237 928487106 /nfs/dbraw/zinc/48/71/06/928487106.db2.gz SZRFQSMWYBAYNX-UHFFFAOYSA-N -1 1 279.365 3.203 20 0 CGADMM COc1ccc(NC(=O)c2cc(SC)ccc2[O-])cc1 ZINC001440576992 937331298 /nfs/dbraw/zinc/33/12/98/937331298.db2.gz PSTRAQLGBNOUQL-UHFFFAOYSA-N -1 1 289.356 3.375 20 0 CGADMM CCS[C@H]1CCC[C@H](NC(=O)c2cccc([O-])c2F)C1 ZINC001445324067 937356445 /nfs/dbraw/zinc/35/64/45/937356445.db2.gz IVKWOSILIGJPOI-QWRGUYRKSA-N -1 1 297.395 3.325 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1C[C@@H]1C1CCCC1 ZINC001451754905 937391543 /nfs/dbraw/zinc/39/15/43/937391543.db2.gz MIILEXPXJKDKKR-GHMZBOCLSA-N -1 1 281.302 3.435 20 0 CGADMM Cc1sccc1CC(=O)Nc1cc([O-])c(F)cc1F ZINC001450899889 937387384 /nfs/dbraw/zinc/38/73/84/937387384.db2.gz SUSJCARJTULKJT-UHFFFAOYSA-N -1 1 283.299 3.222 20 0 CGADMM CCOC(=O)C(C)(C)O[N-]C(=O)CCC1CCCCCC1 ZINC001452502353 937395244 /nfs/dbraw/zinc/39/52/44/937395244.db2.gz DXXPNDLKOYOVLU-UHFFFAOYSA-N -1 1 299.411 3.127 20 0 CGADMM O=C(NC1CC2(CCC2)C1)c1ncc2ccccc2c1[O-] ZINC001452759707 937398715 /nfs/dbraw/zinc/39/87/15/937398715.db2.gz RLSFGIGNSROMIU-UHFFFAOYSA-N -1 1 282.343 3.003 20 0 CGADMM CCc1ccc(C(=O)Nc2ccnn2C(C)(C)C)c([O-])c1 ZINC001453973518 937405879 /nfs/dbraw/zinc/40/58/79/937405879.db2.gz LCTKRQBHVLQYHI-UHFFFAOYSA-N -1 1 287.363 3.158 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(-c2c[nH]cn2)cc1 ZINC001457715039 937445072 /nfs/dbraw/zinc/44/50/72/937445072.db2.gz JZDAHPHCHNQYRQ-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM CCCOC[C@@H](C)Oc1cc([O-])ccc1C(=O)CC ZINC001229474165 932156906 /nfs/dbraw/zinc/15/69/06/932156906.db2.gz BOGDHWIWDPZOKX-LLVKDONJSA-N -1 1 266.337 3.179 20 0 CGADMM CCCCOC(=O)[C@H](C)Oc1cc([O-])ccc1C(=O)CC ZINC001229475332 932156932 /nfs/dbraw/zinc/15/69/32/932156932.db2.gz UUORBLOGRZQVLV-NSHDSACASA-N -1 1 294.347 3.096 20 0 CGADMM COC(=O)c1c[n-]c(O[C@@H](C)c2ccc3ccccc3c2)n1 ZINC001230280662 932550783 /nfs/dbraw/zinc/55/07/83/932550783.db2.gz XWTHJKBWSNTMEV-NSHDSACASA-N -1 1 296.326 3.490 20 0 CGADMM CC[C@@H]1CN(Cc2ccc([O-])c(F)c2F)[C@@H](CC)CO1 ZINC001308851939 933190351 /nfs/dbraw/zinc/19/03/51/933190351.db2.gz OBLDAEBBFBNYJR-NWDGAFQWSA-N -1 1 285.334 3.060 20 0 CGADMM CCCC[C@H]1CCC[C@@H]1NC(=O)c1ncc(C)cc1[O-] ZINC001464795881 937695846 /nfs/dbraw/zinc/69/58/46/937695846.db2.gz XVNLAYWYBBUKTR-STQMWFEESA-N -1 1 276.380 3.184 20 0 CGADMM O=C(NCC1(C2CC2)CC1)c1ccc2ccc(O)cc2c1[O-] ZINC001466266097 937707477 /nfs/dbraw/zinc/70/74/77/937707477.db2.gz TVUFWDYXTWCOJA-UHFFFAOYSA-N -1 1 297.354 3.171 20 0 CGADMM Cc1cccc([C@H](C)NC(=O)c2cccc([O-])c2F)c1 ZINC001466336949 937708040 /nfs/dbraw/zinc/70/80/40/937708040.db2.gz FMTLRULAFRGYTA-NSHDSACASA-N -1 1 273.307 3.331 20 0 CGADMM COc1cc(Cl)ccc1NC(=O)c1cccc([O-])c1F ZINC001467325255 937717431 /nfs/dbraw/zinc/71/74/31/937717431.db2.gz LDBZFGMZFZJDGO-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(F)c([O-])c3)C2)cc1 ZINC001466820235 937712817 /nfs/dbraw/zinc/71/28/17/937712817.db2.gz ZPSKSKBIWZWRKH-OAHLLOKOSA-N -1 1 299.345 3.469 20 0 CGADMM O=C(/C=C\C=C(Cl)Cl)Nc1ccc([O-])c(F)c1F ZINC001468002976 937723787 /nfs/dbraw/zinc/72/37/87/937723787.db2.gz DMWGBAHYFQLYIO-IWQZZHSRSA-N -1 1 294.084 3.484 20 0 CGADMM O=C(/C=C/c1cccc(O)c1)Nc1cc([O-])c(F)cc1F ZINC001468747625 937731451 /nfs/dbraw/zinc/73/14/51/937731451.db2.gz JJUZXXDANXZJBJ-SNAWJCMRSA-N -1 1 291.253 3.028 20 0 CGADMM Cc1ncsc1CCC(=O)Nc1cc([O-])c(F)cc1F ZINC001468748259 937731478 /nfs/dbraw/zinc/73/14/78/937731478.db2.gz UTAIQMKMBOHOOO-UHFFFAOYSA-N -1 1 298.314 3.007 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001320296348 934028455 /nfs/dbraw/zinc/02/84/55/934028455.db2.gz FAECDASRHFJCIZ-DGCLKSJQSA-N -1 1 277.339 3.184 20 0 CGADMM C/C=C(\C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001321583780 934195325 /nfs/dbraw/zinc/19/53/25/934195325.db2.gz UCNOEAAXNQMGFE-XVNBXDOJSA-N -1 1 270.126 3.059 20 0 CGADMM C[C@@H]1N(C(=O)c2ccc([O-])cn2)c2ccccc2C1(C)C ZINC001470123222 937748335 /nfs/dbraw/zinc/74/83/35/937748335.db2.gz WIYXNGSBOMHCHU-NSHDSACASA-N -1 1 282.343 3.114 20 0 CGADMM CC1(C)CN(C(=O)c2cccc([O-])c2F)c2ccccc21 ZINC001470883093 937759001 /nfs/dbraw/zinc/75/90/01/937759001.db2.gz MOTMWIWWLXQYRO-UHFFFAOYSA-N -1 1 285.318 3.469 20 0 CGADMM O=C(/C=C\c1cccc(F)c1)Nc1cccc(F)c1[O-] ZINC001471168158 937761966 /nfs/dbraw/zinc/76/19/66/937761966.db2.gz MITDKKMOJXEBTH-FPLPWBNLSA-N -1 1 275.254 3.322 20 0 CGADMM C[C@@H]1Cc2cc(NC(=O)c3ccc(F)c([O-])c3)ccc2O1 ZINC001472164536 937773357 /nfs/dbraw/zinc/77/33/57/937773357.db2.gz OZWZYZKCXMUYSP-SECBINFHSA-N -1 1 287.290 3.107 20 0 CGADMM Cc1cc(CNCc2ccc3c(c2)CCC3)oc1C(=O)[O-] ZINC001334026445 936079938 /nfs/dbraw/zinc/07/99/38/936079938.db2.gz VSBISERMBNSSMW-UHFFFAOYSA-N -1 1 285.343 3.065 20 0 CGADMM CCCc1cnc(NC(=O)c2ccc(F)c([O-])c2)s1 ZINC001546228230 937928722 /nfs/dbraw/zinc/92/87/22/937928722.db2.gz QIRVLRDRBDXWLV-UHFFFAOYSA-N -1 1 280.324 3.193 20 0 CGADMM CCc1cc([N-]C(=O)c2c(F)c(F)cc(F)c2F)no1 ZINC001540231192 938128774 /nfs/dbraw/zinc/12/87/74/938128774.db2.gz URWNPXCEYKIAMP-UHFFFAOYSA-N -1 1 288.200 3.046 20 0 CGADMM Cc1cc(C)cc(NC(=O)c2ccc(F)c([O-])c2)c1 ZINC001540309658 938129665 /nfs/dbraw/zinc/12/96/65/938129665.db2.gz KQIDJEBRRAEGLK-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM Cc1cnc(C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c([O-])c1 ZINC001543128711 938137835 /nfs/dbraw/zinc/13/78/35/938137835.db2.gz YKTHLUPPFKWWHN-OLZOCXBDSA-N -1 1 276.380 3.040 20 0 CGADMM Cc1cnc(C(=O)NCCCCCCC(C)C)c([O-])c1 ZINC001543346776 938138918 /nfs/dbraw/zinc/13/89/18/938138918.db2.gz RNEJCBFMSVFMKA-UHFFFAOYSA-N -1 1 278.396 3.432 20 0 CGADMM Cc1cccc(CN(C)C(=O)c2ccc(F)c([O-])c2)c1 ZINC001543540513 938140248 /nfs/dbraw/zinc/14/02/48/938140248.db2.gz AIVQGVVSPWWKOB-UHFFFAOYSA-N -1 1 273.307 3.112 20 0 CGADMM CCc1nc([C@H](C)NC(=O)c2ccc(F)c([O-])c2)cs1 ZINC001543804505 938141825 /nfs/dbraw/zinc/14/18/25/938141825.db2.gz RIKSXKWDYALOHQ-QMMMGPOBSA-N -1 1 294.351 3.041 20 0 CGADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1F ZINC001545336378 938149357 /nfs/dbraw/zinc/14/93/57/938149357.db2.gz XEXPLUKQRKSBNX-YPMHNXCESA-N -1 1 297.395 3.325 20 0 CGADMM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001556810429 938206011 /nfs/dbraw/zinc/20/60/11/938206011.db2.gz KBNLMBMENCYLOI-DGCLKSJQSA-N -1 1 279.355 3.478 20 0 CGADMM CC(=O)c1cc(NC(=O)c2ccc([O-])cc2F)ccc1C ZINC001557235783 938208635 /nfs/dbraw/zinc/20/86/35/938208635.db2.gz FVSJEKMAUDVCQZ-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM CCc1cccc(CNC(=O)c2ccc([O-])cc2F)c1 ZINC001557329872 938209255 /nfs/dbraw/zinc/20/92/55/938209255.db2.gz QIXVFTHEICGATN-UHFFFAOYSA-N -1 1 273.307 3.024 20 0 CGADMM O=C(CCc1cccnc1Cl)Nc1c([O-])cccc1F ZINC001557409503 938209916 /nfs/dbraw/zinc/20/99/16/938209916.db2.gz MPVRTWUSZUYSSG-UHFFFAOYSA-N -1 1 294.713 3.151 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2nccc3cc[nH]c32)c1 ZINC001557531886 938210499 /nfs/dbraw/zinc/21/04/99/938210499.db2.gz FRVURTODTBDGOV-UHFFFAOYSA-N -1 1 299.355 3.243 20 0 CGADMM O=C(N[C@@H]1CCCC[C@@H]1F)c1cc(Cl)ccc1[O-] ZINC001557833064 938211996 /nfs/dbraw/zinc/21/19/96/938211996.db2.gz BOORDBSAMMVENE-WDEREUQCSA-N -1 1 271.719 3.056 20 0 CGADMM CCc1cc(C(=O)Nc2cccc(F)c2[O-])ccc1O ZINC001557957044 938212776 /nfs/dbraw/zinc/21/27/76/938212776.db2.gz PSAQQERKQDTLSJ-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM CC(C)c1nsc([N-]C(=O)c2onc3ccccc32)n1 ZINC001558230077 938214348 /nfs/dbraw/zinc/21/43/48/938214348.db2.gz WSPTVEBKLCHJME-UHFFFAOYSA-N -1 1 288.332 3.055 20 0 CGADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1c([O-])cccc1Cl ZINC001558365488 938214790 /nfs/dbraw/zinc/21/47/90/938214790.db2.gz VRJQPMGLPOBZCN-MNOVXSKESA-N -1 1 279.767 3.212 20 0 CGADMM C=C/C=C/CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC001558644605 938216830 /nfs/dbraw/zinc/21/68/30/938216830.db2.gz RFADSWFGQFHHLH-ONEGZZNKSA-N -1 1 255.676 3.256 20 0 CGADMM CC[C@H](C(=O)[N-]OCCOc1ccccc1)c1ccccc1 ZINC001558778575 938217832 /nfs/dbraw/zinc/21/78/32/938217832.db2.gz YMNZGQFRSGVWJD-KRWDZBQOSA-N -1 1 299.370 3.307 20 0 CGADMM O=C(CSc1ccc2c(c1)CCO2)c1ccc([O-])cc1 ZINC001559423891 938226426 /nfs/dbraw/zinc/22/64/26/938226426.db2.gz MKQXXSKXIMLQDE-UHFFFAOYSA-N -1 1 286.352 3.302 20 0 CGADMM O=C([O-])c1ccc(CNCc2cc(O)cc(Cl)c2)cc1 ZINC001595231103 949348639 /nfs/dbraw/zinc/34/86/39/949348639.db2.gz ZIBYMFFNPSWPER-UHFFFAOYSA-N -1 1 291.734 3.034 20 0 CGADMM CN(Cc1occc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000042307531 957408379 /nfs/dbraw/zinc/40/83/79/957408379.db2.gz ADAUWEFIFOFPCW-UHFFFAOYSA-N -1 1 279.723 3.263 20 0 CGADMM Cc1cc(Cl)nc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC001594309081 957997649 /nfs/dbraw/zinc/99/76/49/957997649.db2.gz NSYGTNQVBZALPU-UHFFFAOYSA-N -1 1 290.750 3.031 20 0 CGADMM O=C(Nc1ccc(O)c(Cl)c1)c1cccc([O-])c1F ZINC001566588981 960962038 /nfs/dbraw/zinc/96/20/38/960962038.db2.gz LCAYPBLVOSJXFZ-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc(F)c([O-])c1 ZINC001568356375 961562160 /nfs/dbraw/zinc/56/21/60/961562160.db2.gz BFIPMTGTRUCWOR-HDJSIYSDSA-N -1 1 285.318 3.207 20 0 CGADMM O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ncccc1[O-] ZINC001568683136 961627669 /nfs/dbraw/zinc/62/76/69/961627669.db2.gz HDXXBURCKZNJDI-HUUCEWRRSA-N -1 1 296.370 3.243 20 0 CGADMM O=C(Nc1cc(Cl)c(O)cc1F)c1cccc(F)c1[O-] ZINC001568779803 961641220 /nfs/dbraw/zinc/64/12/20/961641220.db2.gz DIJIZBUXKWWOHE-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM CC(=O)c1csc(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001570101238 961903149 /nfs/dbraw/zinc/90/31/49/961903149.db2.gz FHARMOFNLQKKFA-UHFFFAOYSA-N -1 1 297.282 3.187 20 0 CGADMM CC[C@H](CNC(=O)c1cccc([O-])c1F)CC(F)(F)F ZINC001570381576 961956588 /nfs/dbraw/zinc/95/65/88/961956588.db2.gz KKEJJFCSPKGJHG-QMMMGPOBSA-N -1 1 293.260 3.240 20 0 CGADMM Cc1ccc(N(CC(C)C)C(=O)c2ccc([O-])cn2)cc1 ZINC001570453379 961972278 /nfs/dbraw/zinc/97/22/78/961972278.db2.gz JXAAHJYQWVIFRE-UHFFFAOYSA-N -1 1 284.359 3.398 20 0 CGADMM C/C(=C\c1ccncc1)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001570465866 961980392 /nfs/dbraw/zinc/98/03/92/961980392.db2.gz SNYXOKYRQMBRDV-RMKNXTFCSA-N -1 1 290.269 3.107 20 0 CGADMM CCC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001577327200 962527246 /nfs/dbraw/zinc/52/72/46/962527246.db2.gz ZMWKJMDBCDONLK-GFCCVEGCSA-N -1 1 286.383 3.033 20 0 CGADMM CCC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001577327200 962527255 /nfs/dbraw/zinc/52/72/55/962527255.db2.gz ZMWKJMDBCDONLK-GFCCVEGCSA-N -1 1 286.383 3.033 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1ncccc1[O-] ZINC001583934101 962863856 /nfs/dbraw/zinc/86/38/56/962863856.db2.gz SZVXCSAKTMOZLJ-INIZCTEOSA-N -1 1 296.370 3.449 20 0 CGADMM CC(C)(C)[C@@H](NC(=O)c1ccc(F)c([O-])c1)C(F)(F)F ZINC001586627625 963124736 /nfs/dbraw/zinc/12/47/36/963124736.db2.gz XLAHTGQHZSEDFK-LLVKDONJSA-N -1 1 293.260 3.238 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1ccc2occc2c1 ZINC001587385099 963191862 /nfs/dbraw/zinc/19/18/62/963191862.db2.gz IOQDLMCDZNPNAT-UHFFFAOYSA-N -1 1 283.283 3.399 20 0 CGADMM CC(C)[C@@H](C)Sc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001589436939 963991720 /nfs/dbraw/zinc/99/17/20/963991720.db2.gz MSSBONUQYRJPFT-RXMQYKEDSA-N -1 1 289.817 3.113 20 0 CGADMM CC[C@H](N[C@H]1CCC[C@H](CCCC(=O)[O-])C1)C(F)F ZINC001595284140 980353362 /nfs/dbraw/zinc/35/33/62/980353362.db2.gz PPIGCTAPFUYLOD-WOPDTQHZSA-N -1 1 277.355 3.433 20 0 CGADMM CC[C@H]1c2ccsc2CCN1Cc1ccc(C(=O)[O-])[nH]1 ZINC001595504843 981279725 /nfs/dbraw/zinc/27/97/25/981279725.db2.gz QELNCRWAVAXSAA-ZDUSSCGKSA-N -1 1 290.388 3.284 20 0 CGADMM CCC[C@@](C)(NCc1nc2cc(C)ccc2s1)C(=O)[O-] ZINC001595559455 981440873 /nfs/dbraw/zinc/44/08/73/981440873.db2.gz OWSAMQQAAGEVOF-OAHLLOKOSA-N -1 1 292.404 3.338 20 0 CGADMM CCCC[C@H](N[C@@H](CC)c1nc(C)cs1)C(=O)[O-] ZINC001595637938 981937931 /nfs/dbraw/zinc/93/79/31/981937931.db2.gz YYMAMYGEYNNGKJ-QWRGUYRKSA-N -1 1 270.398 3.136 20 0 CGADMM CC[C@@H](C)[C@@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)[O-] ZINC001594929482 982547277 /nfs/dbraw/zinc/54/72/77/982547277.db2.gz SOWYBHFHPQWLIO-BXKDBHETSA-N -1 1 278.377 3.463 20 0 CGADMM C[C@H]1c2ccccc2CN1Cc1ccccc1CC(=O)[O-] ZINC001599937379 985412718 /nfs/dbraw/zinc/41/27/18/985412718.db2.gz YBYOVXXUXMJYMN-ZDUSSCGKSA-N -1 1 281.355 3.391 20 0 CGADMM CC(C)(C)c1coc(CN[C@]2(C)CCCC[C@H]2C(=O)[O-])n1 ZINC001590526567 990135593 /nfs/dbraw/zinc/13/55/93/990135593.db2.gz CUXYTSMKTAUYTG-MEDUHNTESA-N -1 1 294.395 3.095 20 0 CGADMM COC[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC001599203017 997350839 /nfs/dbraw/zinc/35/08/39/997350839.db2.gz JVSJFVJOLQNWQJ-CYBMUJFWSA-N -1 1 297.782 3.039 20 0 CGADMM CC(C)(C)CS(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1 ZINC000621323274 349495741 /nfs/dbraw/zinc/49/57/41/349495741.db2.gz YFONCCQHLBTLID-NSHDSACASA-N -1 1 297.411 3.166 20 0 CGADMM CSc1ccc(Cl)cc1[N-]C(=O)c1cocn1 ZINC000591161353 346905748 /nfs/dbraw/zinc/90/57/48/346905748.db2.gz DAAFELLOZJYQOI-UHFFFAOYSA-N -1 1 268.725 3.302 20 0 CGADMM CN(Cc1cccc([O-])c1Cl)[C@H](CO)c1ccccc1 ZINC000295049997 199319607 /nfs/dbraw/zinc/31/96/07/199319607.db2.gz NJQMCGUVTGFFNF-CQSZACIVSA-N -1 1 291.778 3.211 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC2(C)C)c1 ZINC000351585579 219135852 /nfs/dbraw/zinc/13/58/52/219135852.db2.gz XNHJPLPFVVFVPH-QMMMGPOBSA-N -1 1 298.180 3.448 20 0 CGADMM CN(Cc1cccc2[nH]ccc21)C(=O)c1cc(F)ccc1[O-] ZINC000436821878 529996169 /nfs/dbraw/zinc/99/61/69/529996169.db2.gz MRIGEEVHGBZZMC-UHFFFAOYSA-N -1 1 298.317 3.285 20 0 CGADMM C[C@@H](c1cccs1)N(C)Cc1occc1C(=O)[O-] ZINC000042326298 344981821 /nfs/dbraw/zinc/98/18/21/344981821.db2.gz NFOQFTIQRJPLAY-VIFPVBQESA-N -1 1 265.334 3.232 20 0 CGADMM O=C([N-]c1cnoc1)c1cnc(-c2ccccc2F)s1 ZINC000623938800 349922243 /nfs/dbraw/zinc/92/22/43/349922243.db2.gz GRTMTWCYPHWHGR-UHFFFAOYSA-N -1 1 289.291 3.190 20 0 CGADMM COCc1nc(=O)c2c(-c3ccc(C)s3)csc2[n-]1 ZINC000053843169 345125609 /nfs/dbraw/zinc/12/56/09/345125609.db2.gz YWKXDJLCEHEBJO-UHFFFAOYSA-N -1 1 292.385 3.168 20 0 CGADMM Cc1ccc(NC(=O)c2cncc([O-])c2)cc1Cl ZINC000082325010 232177182 /nfs/dbraw/zinc/17/71/82/232177182.db2.gz ICEBTHXMQCIGOM-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000105589563 345928807 /nfs/dbraw/zinc/92/88/07/345928807.db2.gz IMMNJWURIOBPMG-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Cn1ccc2ccc(NC(=O)c3ccccc3[O-])cc21 ZINC000172873941 232274566 /nfs/dbraw/zinc/27/45/66/232274566.db2.gz CKXBGRCVWXLPAM-UHFFFAOYSA-N -1 1 266.300 3.136 20 0 CGADMM O=C([O-])CCC1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000097903996 345909266 /nfs/dbraw/zinc/90/92/66/345909266.db2.gz WMFQKYQSGCRSRB-UHFFFAOYSA-N -1 1 283.318 3.042 20 0 CGADMM CC1CCC(CNC(=O)c2cc(F)ccc2[O-])CC1 ZINC000128659270 346042306 /nfs/dbraw/zinc/04/23/06/346042306.db2.gz FWGIXWVFEXQKTK-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000161724517 346176321 /nfs/dbraw/zinc/17/63/21/346176321.db2.gz FYLYSSDWCKRLBK-NHYWBVRUSA-N -1 1 277.339 3.326 20 0 CGADMM Cc1ccc([C@@H](NCc2ccccc2F)C(=O)[O-])cc1 ZINC000212214351 346285883 /nfs/dbraw/zinc/28/58/83/346285883.db2.gz OCIKOPMCKBYRFE-OAHLLOKOSA-N -1 1 273.307 3.050 20 0 CGADMM CCc1cc(NC(=O)c2cc3ccccc3cc2[O-])n[nH]1 ZINC000303166867 346442951 /nfs/dbraw/zinc/44/29/51/346442951.db2.gz IPAOKQOYXMYPAC-UHFFFAOYSA-N -1 1 281.315 3.083 20 0 CGADMM Cc1ccc(Cc2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000350838036 346524992 /nfs/dbraw/zinc/52/49/92/346524992.db2.gz OYBIOPGKFMBJOD-UHFFFAOYSA-N -1 1 274.251 3.074 20 0 CGADMM C[C@H](c1c(F)cccc1F)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000380243306 346556342 /nfs/dbraw/zinc/55/63/42/346556342.db2.gz MVEKXACVPRGOTA-MXWKQRLJSA-N -1 1 283.318 3.068 20 0 CGADMM CO[C@H]([C@@H](C)NC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000388324235 346570535 /nfs/dbraw/zinc/57/05/35/346570535.db2.gz YRDVYBYVTUHXRQ-PIGZYNQJSA-N -1 1 299.370 3.089 20 0 CGADMM [O-]c1cccc(CNCc2ccc(Cl)cn2)c1Cl ZINC000339338196 215102811 /nfs/dbraw/zinc/10/28/11/215102811.db2.gz OQXYQULGDRVRHV-UHFFFAOYSA-N -1 1 283.158 3.384 20 0 CGADMM CSC1CCN(Cc2cc(O)ccc2Cl)CC1 ZINC000602918505 348043260 /nfs/dbraw/zinc/04/32/60/348043260.db2.gz AQTRZURKQHSTGW-UHFFFAOYSA-N -1 1 271.813 3.373 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1Cc2ccccc2S1 ZINC000605435379 348155144 /nfs/dbraw/zinc/15/51/44/348155144.db2.gz FOFVKBVEZVJHMU-ZDUSSCGKSA-N -1 1 289.331 3.187 20 0 CGADMM O=C(Cc1ccccc1Cl)Nc1c([O-])cccc1F ZINC000605435772 348155395 /nfs/dbraw/zinc/15/53/95/348155395.db2.gz IMAZHEFYTWSWFC-UHFFFAOYSA-N -1 1 279.698 3.366 20 0 CGADMM CC(C)c1nc(=NCCCCc2ccccc2)o[n-]1 ZINC000605691137 348166528 /nfs/dbraw/zinc/16/65/28/348166528.db2.gz MIAXJDFCTZTXLB-UHFFFAOYSA-N -1 1 259.353 3.050 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000608365927 348301521 /nfs/dbraw/zinc/30/15/21/348301521.db2.gz VVFNIYNVKRBEOO-NWDGAFQWSA-N -1 1 289.281 3.413 20 0 CGADMM COc1ccccc1CCC(=O)Nc1c([O-])cccc1F ZINC000608365475 348301645 /nfs/dbraw/zinc/30/16/45/348301645.db2.gz GAWYWCYBPLIODJ-UHFFFAOYSA-N -1 1 289.306 3.111 20 0 CGADMM CC(C)[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000612186303 348499964 /nfs/dbraw/zinc/49/99/64/348499964.db2.gz CQGKBXRCENJSTO-CYBMUJFWSA-N -1 1 284.359 3.059 20 0 CGADMM CC(C)(C)[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613464080 348608258 /nfs/dbraw/zinc/60/82/58/348608258.db2.gz ZATVNSKORBWQFM-CYBMUJFWSA-N -1 1 298.386 3.449 20 0 CGADMM CCc1noc(C)c1NC(=O)c1cc(SC)ccc1[O-] ZINC000612984486 348557340 /nfs/dbraw/zinc/55/73/40/348557340.db2.gz PZUYKQPCWFALPM-UHFFFAOYSA-N -1 1 292.360 3.225 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCCC2(CC2)C1 ZINC000613026772 348560241 /nfs/dbraw/zinc/56/02/41/348560241.db2.gz ITVJXCLQVFCGES-SNVBAGLBSA-N -1 1 263.312 3.440 20 0 CGADMM CC(F)(F)CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000613668388 348626701 /nfs/dbraw/zinc/62/67/01/348626701.db2.gz OAXIRLXSQWHGAB-UHFFFAOYSA-N -1 1 295.289 3.156 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)CCC1CCCCCC1 ZINC000615229372 348725368 /nfs/dbraw/zinc/72/53/68/348725368.db2.gz RFJPAVJAFRPJJU-UHFFFAOYSA-N -1 1 265.357 3.113 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2ncc3ccccc3c2[O-])CC1(C)C ZINC000615240637 348726446 /nfs/dbraw/zinc/72/64/46/348726446.db2.gz WEQZTFUCFOSRRD-INIZCTEOSA-N -1 1 298.386 3.447 20 0 CGADMM CC1(C)CCN(C(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC000618280860 349065593 /nfs/dbraw/zinc/06/55/93/349065593.db2.gz HNCSKVFRFNZLTB-UHFFFAOYSA-N -1 1 276.380 3.076 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H]2C[C@H]2C1 ZINC000619347845 349232365 /nfs/dbraw/zinc/23/23/65/349232365.db2.gz LKCYBYHBRSXPHB-STQMWFEESA-N -1 1 267.328 3.027 20 0 CGADMM CCO[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)C(C)C ZINC000624577112 350066509 /nfs/dbraw/zinc/06/65/09/350066509.db2.gz JQZWBVCTRFOTSV-GFCCVEGCSA-N -1 1 280.299 3.315 20 0 CGADMM CSc1ccc([O-])c(-c2nc([C@H]3CC[C@H](C)O3)no2)c1 ZINC000624686401 350084329 /nfs/dbraw/zinc/08/43/29/350084329.db2.gz ONOUNTJOBWXLJU-QPUJVOFHSA-N -1 1 292.360 3.404 20 0 CGADMM CC(C)(C)[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000271320767 191071975 /nfs/dbraw/zinc/07/19/75/191071975.db2.gz UITJIKIXPIZRSO-CYBMUJFWSA-N -1 1 265.328 3.182 20 0 CGADMM CCO[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)C(C)C ZINC000626227814 350285145 /nfs/dbraw/zinc/28/51/45/350285145.db2.gz IHCQFNVNXPPBET-LBPRGKRZSA-N -1 1 271.744 3.045 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@H](OCC)C2CC2)n1 ZINC000629090350 350649417 /nfs/dbraw/zinc/64/94/17/350649417.db2.gz UNRDXKOJWHXMLZ-LBPRGKRZSA-N -1 1 282.409 3.042 20 0 CGADMM CCCC1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000629377032 350684249 /nfs/dbraw/zinc/68/42/49/350684249.db2.gz LJJGAQBIGVKQFK-UHFFFAOYSA-N -1 1 285.347 3.097 20 0 CGADMM CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380763 350686102 /nfs/dbraw/zinc/68/61/02/350686102.db2.gz XEUQATBLHLGHEQ-SWLSCSKDSA-N -1 1 299.374 3.343 20 0 CGADMM C/C=C\C[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000629871407 350779968 /nfs/dbraw/zinc/77/99/68/350779968.db2.gz JXAGAJWJIVRIKI-ZZKXABKFSA-N -1 1 277.339 3.350 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC1CCCCC1 ZINC000630407149 350835817 /nfs/dbraw/zinc/83/58/17/350835817.db2.gz CURHFNMQOBHDKA-UHFFFAOYSA-N -1 1 281.783 3.285 20 0 CGADMM CC(=O)[C@@H](Sc1nc(C)c(C2CC2)c(=O)[n-]1)C(C)C ZINC000631023810 350927938 /nfs/dbraw/zinc/92/79/38/350927938.db2.gz XYNVFZHMBHYLRM-LBPRGKRZSA-N -1 1 280.393 3.074 20 0 CGADMM Cc1nc(SC[C@@H]2CCCCO2)[n-]c(=O)c1C1CC1 ZINC000631024466 350928040 /nfs/dbraw/zinc/92/80/40/350928040.db2.gz UPOXAWVNFDTAKC-NSHDSACASA-N -1 1 280.393 3.029 20 0 CGADMM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000631728608 351128544 /nfs/dbraw/zinc/12/85/44/351128544.db2.gz UTZJARUGZGTXCW-IUCAKERBSA-N -1 1 293.335 3.074 20 0 CGADMM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632431546 351197804 /nfs/dbraw/zinc/19/78/04/351197804.db2.gz JZRUFWMXWHJNND-MRVPVSSYSA-N -1 1 295.351 3.320 20 0 CGADMM CC[C@H]1[C@H](C)CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632548552 351204283 /nfs/dbraw/zinc/20/42/83/351204283.db2.gz QPSOMNXZDQEHIR-MFKMUULPSA-N -1 1 281.783 3.235 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H]1C(F)F ZINC000633230301 351261328 /nfs/dbraw/zinc/26/13/28/351261328.db2.gz HVDGADKDVQGNMP-GFCCVEGCSA-N -1 1 277.270 3.025 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(CCF)CC1 ZINC000633958090 351403274 /nfs/dbraw/zinc/40/32/74/351403274.db2.gz YQXYZADFLOEBAC-UHFFFAOYSA-N -1 1 285.746 3.257 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ncc(Cl)cc3Cl)c(=O)c21 ZINC000634583943 351524369 /nfs/dbraw/zinc/52/43/69/351524369.db2.gz MQKZGWVOFRXWLS-WKEGUHRASA-N -1 1 284.146 3.137 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(Br)cc3)c(=O)c21 ZINC000634588096 351526628 /nfs/dbraw/zinc/52/66/28/351526628.db2.gz JERQFELAIVRLSN-PRHODGIISA-N -1 1 293.164 3.198 20 0 CGADMM CCc1c(C(C)C)[n-]n(-c2ccc(OC)cc2)c1=O ZINC000634592990 351528681 /nfs/dbraw/zinc/52/86/81/351528681.db2.gz AXZOTQWEYICODS-ZDUSSCGKSA-N -1 1 260.337 3.080 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3cccc4cccnc43)c(=O)c2C1 ZINC000634592871 351528993 /nfs/dbraw/zinc/52/89/93/351528993.db2.gz XHANUFSHVJYIPP-IUODEOHRSA-N -1 1 293.370 3.369 20 0 CGADMM CCc1[n-]n(-c2nc3cccnc3s2)c(=O)c1C(C)C ZINC000634607540 351539720 /nfs/dbraw/zinc/53/97/20/351539720.db2.gz ARQPMAUMFIUBPD-LLVKDONJSA-N -1 1 288.376 3.076 20 0 CGADMM O=c1c2c([n-]n1Cc1ccccc1F)CCCCCC2 ZINC000634607754 351539814 /nfs/dbraw/zinc/53/98/14/351539814.db2.gz HEUBMARMBLKQJV-ZDUSSCGKSA-N -1 1 274.339 3.494 20 0 CGADMM CCc1c(C)[n-]n(-c2cccc(F)c2Cl)c1=O ZINC000634612351 351542551 /nfs/dbraw/zinc/54/25/51/351542551.db2.gz WHXPOPSTRKPDQZ-QMMMGPOBSA-N -1 1 254.692 3.228 20 0 CGADMM CCCCc1cc(=O)n(-c2ccnc(C(F)(F)F)c2)[n-]1 ZINC000634618188 351546307 /nfs/dbraw/zinc/54/63/07/351546307.db2.gz JDJIIOXSKXYIPP-UHFFFAOYSA-N -1 1 285.269 3.383 20 0 CGADMM CC(C)[C@H](Cc1ccccc1)n1[n-]c2c(c1=O)CCC2 ZINC000634621965 351547876 /nfs/dbraw/zinc/54/78/76/351547876.db2.gz ULPUHWAYQAFSPY-HOCLYGCPSA-N -1 1 270.376 3.252 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1OC2CCC1CC2 ZINC000636408196 351753031 /nfs/dbraw/zinc/75/30/31/351753031.db2.gz MONYZKILYDOAFB-UHFFFAOYSA-N -1 1 283.327 3.244 20 0 CGADMM Cc1ccccc1[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000153622685 188093276 /nfs/dbraw/zinc/09/32/76/188093276.db2.gz YJLYOQGBAZZGCD-CQSZACIVSA-N -1 1 282.343 3.073 20 0 CGADMM CC[C@@]1(C)CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000336405333 213264592 /nfs/dbraw/zinc/26/45/92/213264592.db2.gz UCRFLAOHPRMYNW-HNNXBMFYSA-N -1 1 297.782 3.316 20 0 CGADMM O=S(=O)([N-]c1cccc(F)c1Cl)c1cccs1 ZINC000336392025 213249249 /nfs/dbraw/zinc/24/92/49/213249249.db2.gz XDWNSCLZULNQST-UHFFFAOYSA-N -1 1 291.756 3.341 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC2(C1)CCCCC2 ZINC000273697926 192267587 /nfs/dbraw/zinc/26/75/87/192267587.db2.gz CQSAYIKJJVHCAR-UHFFFAOYSA-N -1 1 279.767 3.452 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CN[C@@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000263437483 138572135 /nfs/dbraw/zinc/57/21/35/138572135.db2.gz VCWMOULJGJBGLF-RCBQFDQVSA-N -1 1 299.370 3.189 20 0 CGADMM O=C(Nc1ccc2scnc2c1)c1cc(F)ccc1[O-] ZINC000436541896 237123883 /nfs/dbraw/zinc/12/38/83/237123883.db2.gz AIYUJJLKQNFARF-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM O=C(N[C@H]1C=CCCC1)c1ccc2ccccc2c1[O-] ZINC000436584814 237136139 /nfs/dbraw/zinc/13/61/39/237136139.db2.gz IBZORVUPIWUNKS-ZDUSSCGKSA-N -1 1 267.328 3.384 20 0 CGADMM O=C(Nc1ccc2[nH]ccc2c1)c1ccccc1[O-] ZINC000436720067 237165292 /nfs/dbraw/zinc/16/52/92/237165292.db2.gz DDPQBASBFKCQGN-UHFFFAOYSA-N -1 1 252.273 3.126 20 0 CGADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCCC1 ZINC000436764895 237177422 /nfs/dbraw/zinc/17/74/22/237177422.db2.gz UZGZOFHORFNPAF-UHFFFAOYSA-N -1 1 287.281 3.426 20 0 CGADMM Cc1ccc([C@H](C)N(C)C(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000437006070 237231086 /nfs/dbraw/zinc/23/10/86/237231086.db2.gz QAOLSUDAOFKWNG-ZDUSSCGKSA-N -1 1 297.354 3.103 20 0 CGADMM CC(C)C[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000341878355 216135297 /nfs/dbraw/zinc/13/52/97/216135297.db2.gz RHPQZJXMXHYFEB-GFCCVEGCSA-N -1 1 294.786 3.041 20 0 CGADMM COc1ccc(Cl)cc1NC(=O)c1ccc([O-])cc1F ZINC000181827387 189307693 /nfs/dbraw/zinc/30/76/93/189307693.db2.gz FMSBRBSEDLVSCQ-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CCC1([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)CCC1 ZINC000451273692 240264276 /nfs/dbraw/zinc/26/42/76/240264276.db2.gz DTMXLCVYONDVJF-UHFFFAOYSA-N -1 1 297.351 3.183 20 0 CGADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000476269950 243003362 /nfs/dbraw/zinc/00/33/62/243003362.db2.gz BDCRQNLQSCGHLX-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CN(Cc1ccc(O)cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000037987598 369133831 /nfs/dbraw/zinc/13/38/31/369133831.db2.gz BNPJUTXVTVEJPD-UHFFFAOYSA-N -1 1 291.734 3.023 20 0 CGADMM C[C@H](C1CC1)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000044490742 369262585 /nfs/dbraw/zinc/26/25/85/369262585.db2.gz KJARJBBYMXNSOK-MRVPVSSYSA-N -1 1 298.180 3.025 20 0 CGADMM CCC(=C([O-])c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000061702487 369606019 /nfs/dbraw/zinc/60/60/19/369606019.db2.gz MMCPZEUWAVKXST-HNNXBMFYSA-N -1 1 288.368 3.122 20 0 CGADMM C[C@@H]1CC[C@@H](C)N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000072897122 369842791 /nfs/dbraw/zinc/84/27/91/369842791.db2.gz KCMIXBSQKZJUBK-NXEZZACHSA-N -1 1 277.393 3.017 20 0 CGADMM [O-]c1c(-c2nc(C3CC3)no2)ccc2ccccc21 ZINC000104427626 370345617 /nfs/dbraw/zinc/34/56/17/370345617.db2.gz ZAWIUCUYXXAHAP-UHFFFAOYSA-N -1 1 252.273 3.473 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000112334119 370420335 /nfs/dbraw/zinc/42/03/35/370420335.db2.gz NMVMDCDTMZOPRC-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM Cc1cccc([C@@H]2CCCN2C(=O)c2cncc([O-])c2)c1 ZINC000111575463 370401637 /nfs/dbraw/zinc/40/16/37/370401637.db2.gz XHRIBDVDJZNQFL-INIZCTEOSA-N -1 1 282.343 3.073 20 0 CGADMM CC[C@H](C)N(Cc1ccccc1)C(=O)c1cncc([O-])c1 ZINC000111775487 370406813 /nfs/dbraw/zinc/40/68/13/370406813.db2.gz GZNALINWZGYFLA-ZDUSSCGKSA-N -1 1 284.359 3.228 20 0 CGADMM C[C@H]1C[C@@H](c2nc(-c3ccc([O-])cc3F)no2)CCC1=O ZINC000331599186 204002268 /nfs/dbraw/zinc/00/22/68/204002268.db2.gz CMFLHCUWHJKNOR-IUCAKERBSA-N -1 1 290.294 3.054 20 0 CGADMM O=C(Nc1cccc(OCCF)c1)c1cc(F)ccc1[O-] ZINC000150922681 371550227 /nfs/dbraw/zinc/55/02/27/371550227.db2.gz HHHUMWCIPYDASZ-UHFFFAOYSA-N -1 1 293.269 3.132 20 0 CGADMM Cc1ccc(Cl)c(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000152692337 371715165 /nfs/dbraw/zinc/71/51/65/371715165.db2.gz TXDUTOUCSKFBND-UHFFFAOYSA-N -1 1 277.707 3.312 20 0 CGADMM COCc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000153574747 371777516 /nfs/dbraw/zinc/77/75/16/371777516.db2.gz XZUXKROGBARCRV-UHFFFAOYSA-N -1 1 281.695 3.037 20 0 CGADMM C[C@@H](c1ccccc1)N(C)C(=O)c1ccc([O-])cc1F ZINC000154765729 371876752 /nfs/dbraw/zinc/87/67/52/371876752.db2.gz QTYFXCGGMBGTNP-NSHDSACASA-N -1 1 273.307 3.365 20 0 CGADMM CO[C@@H](C)c1nc(=N[C@@H]2CCC[C@H](C3CC3)C2)s[n-]1 ZINC000425295629 372119638 /nfs/dbraw/zinc/11/96/38/372119638.db2.gz FTZCPCDRNVTTKH-ZMLRMANQSA-N -1 1 281.425 3.048 20 0 CGADMM CC(C)c1nnc([C@@H](C)NCc2cccc([O-])c2Cl)[nH]1 ZINC000293309067 372351631 /nfs/dbraw/zinc/35/16/31/372351631.db2.gz QCJIJMMQBJSNCF-SECBINFHSA-N -1 1 294.786 3.138 20 0 CGADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(Br)c([O-])c1 ZINC000154153809 321735928 /nfs/dbraw/zinc/73/59/28/321735928.db2.gz PXCFKZYWHLPLRE-RKDXNWHRSA-N -1 1 298.180 3.168 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCOC2CCCC2)n1 ZINC000431942895 372518915 /nfs/dbraw/zinc/51/89/15/372518915.db2.gz TWBQTZVFNQXRQE-UHFFFAOYSA-N -1 1 282.409 3.186 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@@H]1C ZINC000294119668 372586169 /nfs/dbraw/zinc/58/61/69/372586169.db2.gz NLEDGBFVKOJZCU-GHMZBOCLSA-N -1 1 255.317 3.026 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC000433801407 372633466 /nfs/dbraw/zinc/63/34/66/372633466.db2.gz KDRYKNWESLGION-UHFFFAOYSA-N -1 1 297.326 3.328 20 0 CGADMM O=c1cc(C(F)F)nc(SCC2CC(F)(F)C2)[n-]1 ZINC000295469605 372793101 /nfs/dbraw/zinc/79/31/01/372793101.db2.gz XYBDPJUMMLUDKX-UHFFFAOYSA-N -1 1 282.262 3.257 20 0 CGADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1CCCCCCC1 ZINC000172869347 373053081 /nfs/dbraw/zinc/05/30/81/373053081.db2.gz SXCHCKYPCYFUAS-UHFFFAOYSA-N -1 1 290.289 3.123 20 0 CGADMM Cc1cc2cc[nH]c2cc1NC(=O)c1ccccc1[O-] ZINC000444446156 373190861 /nfs/dbraw/zinc/19/08/61/373190861.db2.gz JDXROCQWNBEXAF-UHFFFAOYSA-N -1 1 266.300 3.434 20 0 CGADMM O=C(CCc1ccoc1)Nc1ccc([O-])c(Cl)c1 ZINC000176045848 373551221 /nfs/dbraw/zinc/55/12/21/373551221.db2.gz APRIWQOOFDQLDT-UHFFFAOYSA-N -1 1 265.696 3.210 20 0 CGADMM CC(F)(F)C(C)(C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000449822859 373935976 /nfs/dbraw/zinc/93/59/76/373935976.db2.gz XPEKRSFHFNPIAR-UHFFFAOYSA-N -1 1 299.346 3.180 20 0 CGADMM CC(C)c1ccccc1N(C)C(=O)c1ccc(O)cc1[O-] ZINC000334174591 206142839 /nfs/dbraw/zinc/14/28/39/206142839.db2.gz BJCJEOQKPVAODG-UHFFFAOYSA-N -1 1 285.343 3.498 20 0 CGADMM C[C@H]1CC[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000331508744 374539461 /nfs/dbraw/zinc/53/94/61/374539461.db2.gz CLCTXRWEPIUYRD-WPRPVWTQSA-N -1 1 262.284 3.485 20 0 CGADMM O=C(CC1(C(F)(F)F)CC1)Nc1ccc([O-])c(F)c1F ZINC000456778656 374620471 /nfs/dbraw/zinc/62/04/71/374620471.db2.gz HLKYOAYKZHJZPU-UHFFFAOYSA-N -1 1 295.207 3.342 20 0 CGADMM CC(=O)CCC(C)(C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456791526 374625266 /nfs/dbraw/zinc/62/52/66/374625266.db2.gz YGMXYVCNGJMGDQ-UHFFFAOYSA-N -1 1 285.290 3.004 20 0 CGADMM COc1cc(C(=O)N[C@H]2C[C@]2(C)C(C)C)cc(Cl)c1[O-] ZINC000458122039 374696760 /nfs/dbraw/zinc/69/67/60/374696760.db2.gz XQOBQSLXBABCQB-SWLSCSKDSA-N -1 1 297.782 3.219 20 0 CGADMM CCSCCSCc1cc(=O)oc2cc([O-])ccc12 ZINC000185569518 374690101 /nfs/dbraw/zinc/69/01/01/374690101.db2.gz PTAGWEPJBSRLFK-UHFFFAOYSA-N -1 1 296.413 3.485 20 0 CGADMM COc1ccc(NC(=O)c2c(F)ccc([O-])c2F)c(C)c1 ZINC000334252237 206258083 /nfs/dbraw/zinc/25/80/83/206258083.db2.gz LAXDYZACHREBSY-UHFFFAOYSA-N -1 1 293.269 3.240 20 0 CGADMM CO[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CC[C@H]1C ZINC000188003258 375136799 /nfs/dbraw/zinc/13/67/99/375136799.db2.gz KDJANVJRKKDLBY-WBMJQRKESA-N -1 1 299.370 3.042 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(F)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000335424081 375282239 /nfs/dbraw/zinc/28/22/39/375282239.db2.gz LWIWDCOXNLDJST-SKDRFNHKSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@@H]1C[C@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000336157536 375734258 /nfs/dbraw/zinc/73/42/58/375734258.db2.gz GODZQJUYFKCHND-OCAPTIKFSA-N -1 1 273.254 3.034 20 0 CGADMM Cc1cc(N(C)C)ccc1NC(=O)c1ccc([O-])cc1F ZINC000336158119 375735420 /nfs/dbraw/zinc/73/54/20/375735420.db2.gz WMACGNWXNOEEDX-UHFFFAOYSA-N -1 1 288.322 3.158 20 0 CGADMM COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000336170874 375746900 /nfs/dbraw/zinc/74/69/00/375746900.db2.gz IBBKZKVIFHUAFA-UWVGGRQHSA-N -1 1 297.782 3.315 20 0 CGADMM O=C(N[C@@H]1CCc2ccccc21)c1c(F)ccc([O-])c1F ZINC000336396810 375788527 /nfs/dbraw/zinc/78/85/27/375788527.db2.gz RVDLOAUTLCMBCW-GFCCVEGCSA-N -1 1 289.281 3.088 20 0 CGADMM Cc1ncc(CSc2nc(C3CC3)cc(=O)[n-]2)s1 ZINC000195085542 376075946 /nfs/dbraw/zinc/07/59/46/376075946.db2.gz BLWFXLXJNNJZSR-UHFFFAOYSA-N -1 1 279.390 3.117 20 0 CGADMM O=S(=O)([N-]c1ccc2scnc2c1)c1ccccc1 ZINC000195107127 376079310 /nfs/dbraw/zinc/07/93/10/376079310.db2.gz XKJCWAOEQUZXRY-UHFFFAOYSA-N -1 1 290.369 3.097 20 0 CGADMM Cc1ccc2c(C[N@H+]3CC[C@](C)(F)C3)ccc(O)c2n1 ZINC000338276522 376308420 /nfs/dbraw/zinc/30/84/20/376308420.db2.gz ATBRZXFFALQZEO-INIZCTEOSA-N -1 1 274.339 3.183 20 0 CGADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000235357090 376638843 /nfs/dbraw/zinc/63/88/43/376638843.db2.gz XDPJXBXKHMQLAW-GMTAPVOTSA-N -1 1 265.328 3.038 20 0 CGADMM CC(C)(C)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339118688 376692481 /nfs/dbraw/zinc/69/24/81/376692481.db2.gz FRIDNIYAVOIVOM-UHFFFAOYSA-N -1 1 273.336 3.157 20 0 CGADMM COCCCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278124041 193839563 /nfs/dbraw/zinc/83/95/63/193839563.db2.gz JRGQAOOALOGSJG-UHFFFAOYSA-N -1 1 282.727 3.065 20 0 CGADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(F)ccc1[O-] ZINC000245726699 376891558 /nfs/dbraw/zinc/89/15/58/376891558.db2.gz DUDJYATYTNETJJ-JTNHKYCSSA-N -1 1 277.339 3.325 20 0 CGADMM CC(C)c1ccc(C[C@H](C)NC(=O)c2cncc([O-])c2)cc1 ZINC000340005724 376891682 /nfs/dbraw/zinc/89/16/82/376891682.db2.gz NZFSTYVXJYDOSQ-ZDUSSCGKSA-N -1 1 298.386 3.272 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc(=O)[nH]c2ccccc21 ZINC000340326910 377002550 /nfs/dbraw/zinc/00/25/50/377002550.db2.gz FUTJINAJHWKFCR-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340329708 377005713 /nfs/dbraw/zinc/00/57/13/377005713.db2.gz FVDODBIRWCMKCW-SECBINFHSA-N -1 1 292.335 3.046 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\C3CCOCC3)n2)c(F)c1 ZINC000559881899 377103830 /nfs/dbraw/zinc/10/38/30/377103830.db2.gz QNJOPSYJJKPUHT-RJRFIUFISA-N -1 1 290.294 3.021 20 0 CGADMM CCN(Cc1ccccn1)C(=O)c1ccc(Cl)cc1[O-] ZINC000094590079 249040707 /nfs/dbraw/zinc/04/07/07/249040707.db2.gz VGJCCBKMLZXLPL-UHFFFAOYSA-N -1 1 290.750 3.103 20 0 CGADMM Cc1cc(C)cc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1 ZINC000515987798 249223636 /nfs/dbraw/zinc/22/36/36/249223636.db2.gz HWEYPXODUVPEMA-UHFFFAOYSA-N -1 1 297.383 3.429 20 0 CGADMM Cc1cc([C@H]2CCCN2Cc2ccsc2C(=O)[O-])on1 ZINC000574763200 377706176 /nfs/dbraw/zinc/70/61/76/377706176.db2.gz NBBITFFDDDMSLE-LLVKDONJSA-N -1 1 292.360 3.080 20 0 CGADMM C[C@H](CN(C)Cc1csc(C2CCCCC2)n1)C(=O)[O-] ZINC000263343540 377927155 /nfs/dbraw/zinc/92/71/55/377927155.db2.gz OALWVXGWGHEQJM-LLVKDONJSA-N -1 1 296.436 3.343 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CC2CCC1CC2 ZINC000343886615 378125019 /nfs/dbraw/zinc/12/50/19/378125019.db2.gz JYWRYULVSOGMKI-RTYFJBAXSA-N -1 1 263.312 3.296 20 0 CGADMM CC(C)CC1(C)CCN(Cc2nc(C(=O)[O-])cs2)CC1 ZINC000565253250 322070532 /nfs/dbraw/zinc/07/05/32/322070532.db2.gz HUXYPEOONGNNQZ-UHFFFAOYSA-N -1 1 296.436 3.490 20 0 CGADMM Cc1ccc(O)c(C[N@H+]2CCc3sccc3[C@H]2C)n1 ZINC000271043940 378434928 /nfs/dbraw/zinc/43/49/28/378434928.db2.gz PVILKUAPSQARDF-LLVKDONJSA-N -1 1 274.389 3.276 20 0 CGADMM O=C(COc1cccc(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000349289410 379217417 /nfs/dbraw/zinc/21/74/17/379217417.db2.gz SWJXYWDOMLVOKN-UHFFFAOYSA-N -1 1 295.697 3.202 20 0 CGADMM CCCOCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278254838 379327789 /nfs/dbraw/zinc/32/77/89/379327789.db2.gz UEIYMIIRADOZEX-UHFFFAOYSA-N -1 1 268.700 3.022 20 0 CGADMM CCOCc1cccc(NC(=O)c2cc(C(F)F)n[nH]2)c1 ZINC000639645254 379524806 /nfs/dbraw/zinc/52/48/06/379524806.db2.gz GAROHOPBYQOGSJ-UHFFFAOYSA-N -1 1 295.289 3.136 20 0 CGADMM C[C@]1(c2nc(-c3ccc([O-])cc3Cl)no2)CCCO1 ZINC000350812579 379587255 /nfs/dbraw/zinc/58/72/55/379587255.db2.gz GVJLCVFNOQDAOQ-CYBMUJFWSA-N -1 1 280.711 3.121 20 0 CGADMM Cc1csc(-c2noc(-c3cc(F)ccc3[O-])n2)n1 ZINC000350569489 379561436 /nfs/dbraw/zinc/56/14/36/379561436.db2.gz RSAUHANTNGTEAK-UHFFFAOYSA-N -1 1 277.280 3.013 20 0 CGADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)nc2C)c1 ZINC000268035573 190371273 /nfs/dbraw/zinc/37/12/73/190371273.db2.gz IAYGETVPGDPOHR-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM Oc1ccc(F)c(C[N@H+]2CC[C@H]3CCC[C@H]32)c1F ZINC000352990250 380067266 /nfs/dbraw/zinc/06/72/66/380067266.db2.gz TTZBPBBNKFYUCD-BXKDBHETSA-N -1 1 253.292 3.045 20 0 CGADMM CC(C)OCCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289480838 197368751 /nfs/dbraw/zinc/36/87/51/197368751.db2.gz IGORCOAPWBFFBE-UHFFFAOYSA-N -1 1 278.324 3.027 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC(CC(F)F)C1 ZINC000335384161 208328607 /nfs/dbraw/zinc/32/86/07/208328607.db2.gz GBGPXXFHTJBQAJ-UHFFFAOYSA-N -1 1 291.297 3.273 20 0 CGADMM O=S(=O)([N-]c1cccc2cccnc21)C1=CCCCC1 ZINC000281255488 195169816 /nfs/dbraw/zinc/16/98/16/195169816.db2.gz UYQLEBZRUFFFTL-UHFFFAOYSA-N -1 1 288.372 3.434 20 0 CGADMM CC(=O)c1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)s1 ZINC000342699326 542497094 /nfs/dbraw/zinc/49/70/94/542497094.db2.gz OQXRUJVVGDCKBS-UHFFFAOYSA-N -1 1 284.340 3.163 20 0 CGADMM Cc1ccc(C)c(CN(C)C(=O)c2cc(F)ccc2[O-])c1 ZINC000436873990 533664087 /nfs/dbraw/zinc/66/40/87/533664087.db2.gz ROHOGUNHBBXFAA-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM CC(C)OCCCN(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000383239159 542600479 /nfs/dbraw/zinc/60/04/79/542600479.db2.gz BJDGLVOVNPIGFO-UHFFFAOYSA-N -1 1 299.798 3.285 20 0 CGADMM C[C@H]1CN(Cc2ccc(Cl)cc2F)CC[C@H]1C(=O)[O-] ZINC000394038871 542613642 /nfs/dbraw/zinc/61/36/42/542613642.db2.gz OASRNXSKOFXJQI-JOYOIKCWSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])CCS1 ZINC000191945001 130334633 /nfs/dbraw/zinc/33/46/33/130334633.db2.gz WFYCXSJOCXICKW-SECBINFHSA-N -1 1 285.796 3.013 20 0 CGADMM CC1(C)CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000070261434 392179986 /nfs/dbraw/zinc/17/99/86/392179986.db2.gz GGUVQFMLXDJNMB-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@@H](C)S1 ZINC000070387727 392182297 /nfs/dbraw/zinc/18/22/97/392182297.db2.gz HAMGHBKRKPKQMQ-RKDXNWHRSA-N -1 1 285.796 3.012 20 0 CGADMM Cc1cccc2nc(-c3ccc(Cl)cn3)[n-]c(=O)c12 ZINC000445651185 542669362 /nfs/dbraw/zinc/66/93/62/542669362.db2.gz RDNLSNFRXAEBDA-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM O=C(c1ncccc1[O-])N(Cc1ccccc1)CC1CCC1 ZINC000153662153 392525391 /nfs/dbraw/zinc/52/53/91/392525391.db2.gz ZLMVKVGLEGUWTI-UHFFFAOYSA-N -1 1 296.370 3.230 20 0 CGADMM CCC(CC)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505754478 392693614 /nfs/dbraw/zinc/69/36/14/392693614.db2.gz JEOWAXHONJFUEQ-SNVBAGLBSA-N -1 1 293.363 3.190 20 0 CGADMM CC[C@H](CC(F)F)C(=O)Nc1ccc([O-])c(F)c1F ZINC000457889171 392793017 /nfs/dbraw/zinc/79/30/17/392793017.db2.gz YRPFVFBEZVSVIS-ZCFIWIBFSA-N -1 1 279.233 3.290 20 0 CGADMM CC[C@H](C(=O)[O-])N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000263578949 393152170 /nfs/dbraw/zinc/15/21/70/393152170.db2.gz TZNJCAVYHOVNRH-GFCCVEGCSA-N -1 1 288.174 3.215 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(C2CC2)CC1 ZINC000646774380 393324647 /nfs/dbraw/zinc/32/46/47/393324647.db2.gz CQFJJQOUFQVJNV-UHFFFAOYSA-N -1 1 279.767 3.308 20 0 CGADMM CC(C)c1nc(=NC[C@H]2CCCCC(F)(F)C2)o[n-]1 ZINC000488447485 393517334 /nfs/dbraw/zinc/51/73/34/393517334.db2.gz JMPBEKCYVRHCAB-JTQLQIEISA-N -1 1 273.327 3.242 20 0 CGADMM Cc1ccc(F)c(-c2cc(=NC(=O)CC3(C)CC3)[nH][n-]2)c1 ZINC000430609187 393579698 /nfs/dbraw/zinc/57/96/98/393579698.db2.gz HGQIUORDMVDCDC-UHFFFAOYSA-N -1 1 287.338 3.075 20 0 CGADMM CSCCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445447276 393793716 /nfs/dbraw/zinc/79/37/16/393793716.db2.gz OCZSRABXMDDKHX-UHFFFAOYSA-N -1 1 284.768 3.391 20 0 CGADMM [O-]c1ccc(-c2noc(CCc3cccs3)n2)c(F)c1 ZINC000445459827 393796800 /nfs/dbraw/zinc/79/68/00/393796800.db2.gz IAXVYOIWIPTWSQ-UHFFFAOYSA-N -1 1 290.319 3.428 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3Cc4ccccc43)n2)c(F)c1 ZINC000445461264 393796835 /nfs/dbraw/zinc/79/68/35/393796835.db2.gz WYBOEJBCOVMVRX-CYBMUJFWSA-N -1 1 282.274 3.269 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(F)cc1Cl ZINC000263508256 300032306 /nfs/dbraw/zinc/03/23/06/300032306.db2.gz MNWVOAFZVLWHEZ-GXSJLCMTSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])cs1 ZINC000671784951 543189861 /nfs/dbraw/zinc/18/98/61/543189861.db2.gz NSKILIXGEPUPEV-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM Cc1ccc(Cn2[n-]c3c(c2=O)CCCCC3)cc1 ZINC000103463655 397648544 /nfs/dbraw/zinc/64/85/44/397648544.db2.gz MLJJETPSEUODMI-AWEZNQCLSA-N -1 1 256.349 3.274 20 0 CGADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000047215368 397630891 /nfs/dbraw/zinc/63/08/91/397630891.db2.gz NQMCBNMGRNWKGG-UHFFFAOYSA-N -1 1 261.346 3.104 20 0 CGADMM C[C@@H]1CN(Cc2cc(F)cc(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000388580351 397690944 /nfs/dbraw/zinc/69/09/44/397690944.db2.gz WCLLLZKRVQYLDD-NOZJJQNGSA-N -1 1 285.746 3.022 20 0 CGADMM CN(CCC(C)(C)C)C(=O)c1cc(F)ccc1[O-] ZINC000399830651 397698922 /nfs/dbraw/zinc/69/89/22/397698922.db2.gz YGSIXFPVXOFUFP-UHFFFAOYSA-N -1 1 253.317 3.040 20 0 CGADMM CCCCc1nc(CN2CCCC[C@@H]2CC(=O)[O-])cs1 ZINC000650506403 397860815 /nfs/dbraw/zinc/86/08/15/397860815.db2.gz KNMYYQSSRBNJHQ-CYBMUJFWSA-N -1 1 296.436 3.315 20 0 CGADMM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000675415816 543337889 /nfs/dbraw/zinc/33/78/89/543337889.db2.gz KLDVKZYBMIMOLL-STQMWFEESA-N -1 1 299.370 3.090 20 0 CGADMM Cc1nc(S[C@H](C)c2ccncc2)[n-]c(=O)c1C ZINC000679009672 543582542 /nfs/dbraw/zinc/58/25/42/543582542.db2.gz PSFQVTWTAXZHNI-SNVBAGLBSA-N -1 1 261.350 3.047 20 0 CGADMM Cc1ncc(CN(C)C(=O)c2ccc(Cl)cc2[O-])s1 ZINC000079395029 287056092 /nfs/dbraw/zinc/05/60/92/287056092.db2.gz KBMRUBUMZYSOCJ-UHFFFAOYSA-N -1 1 296.779 3.083 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1c(F)cc(F)cc1F ZINC000089409354 287089713 /nfs/dbraw/zinc/08/97/13/287089713.db2.gz OYZYFBKGUGQIFP-UHFFFAOYSA-N -1 1 284.237 3.215 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000005132682 170069417 /nfs/dbraw/zinc/06/94/17/170069417.db2.gz OHMIJWHGOMFOCO-UHFFFAOYSA-N -1 1 291.372 3.058 20 0 CGADMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000006328445 170191974 /nfs/dbraw/zinc/19/19/74/170191974.db2.gz RVCOBBPHQURGQO-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000040725148 174387114 /nfs/dbraw/zinc/38/71/14/174387114.db2.gz UUCPITFDLJQDMH-LLVKDONJSA-N -1 1 255.317 3.027 20 0 CGADMM CC(C)C[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000043432737 175043591 /nfs/dbraw/zinc/04/35/91/175043591.db2.gz KKZMQCWXJQOXCI-ZDUSSCGKSA-N -1 1 261.321 3.022 20 0 CGADMM C[C@H](OCc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000078806954 177390937 /nfs/dbraw/zinc/39/09/37/177390937.db2.gz KDCRUIBRUNEDGL-NSHDSACASA-N -1 1 289.306 3.075 20 0 CGADMM CC(C)O[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000404511770 416555446 /nfs/dbraw/zinc/55/54/46/416555446.db2.gz DFTLUURFJUZHAC-GFCCVEGCSA-N -1 1 297.782 3.075 20 0 CGADMM Cc1ccc(C)c(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681015856 543756414 /nfs/dbraw/zinc/75/64/14/543756414.db2.gz SQOIXAXRWHVAHC-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CC[C@]1(C)CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681049298 543760209 /nfs/dbraw/zinc/76/02/09/543760209.db2.gz HGCYZOVGWCULCI-OAHLLOKOSA-N -1 1 265.328 3.184 20 0 CGADMM CC1(C)CCCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681050010 543760445 /nfs/dbraw/zinc/76/04/45/543760445.db2.gz ALPXQDPCYLWYLO-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000681054643 543761629 /nfs/dbraw/zinc/76/16/29/543761629.db2.gz ZNVZZUOIVHFPIQ-GXTWGEPZSA-N -1 1 295.379 3.032 20 0 CGADMM CCC[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681055684 543762076 /nfs/dbraw/zinc/76/20/76/543762076.db2.gz QCTQROSHBHABGJ-LLVKDONJSA-N -1 1 265.328 3.184 20 0 CGADMM Cc1cccc([C@H]2CCN(C(=O)c3ccc([O-])c(F)c3)C2)c1 ZINC000681070770 543762825 /nfs/dbraw/zinc/76/28/25/543762825.db2.gz ZZJXKDAATIKKPR-HNNXBMFYSA-N -1 1 299.345 3.469 20 0 CGADMM CC1(CNC(=O)c2ccc([O-])c(F)c2)Cc2ccccc2C1 ZINC000681066073 543763002 /nfs/dbraw/zinc/76/30/02/543763002.db2.gz LQLZCCBSRQQHAC-UHFFFAOYSA-N -1 1 299.345 3.066 20 0 CGADMM COc1cc(C(=O)N2CCC[C@@H]2C2CC2)cc(Cl)c1[O-] ZINC000682361675 543836648 /nfs/dbraw/zinc/83/66/48/543836648.db2.gz KQVKBXNAEMGVBU-GFCCVEGCSA-N -1 1 295.766 3.069 20 0 CGADMM Cc1cc(C)cc(CN(C)C(=O)c2ccc([O-])c(F)c2)c1 ZINC000683421738 543914090 /nfs/dbraw/zinc/91/40/90/543914090.db2.gz MUMONDBTCHVTRD-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM CO[C@H]1CCC[C@H](CC(=O)Nc2c([O-])cccc2F)C1 ZINC000684469511 544005586 /nfs/dbraw/zinc/00/55/86/544005586.db2.gz BEGIKDCQFIWINN-QWRGUYRKSA-N -1 1 281.327 3.065 20 0 CGADMM CC(C)CN(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871648 544034946 /nfs/dbraw/zinc/03/49/46/544034946.db2.gz FUXHAZRFWSQFGX-UHFFFAOYSA-N -1 1 275.270 3.139 20 0 CGADMM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1c(F)cccc1Cl ZINC000652374501 418959938 /nfs/dbraw/zinc/95/99/38/418959938.db2.gz UERKDRHZHKWBCS-ZDUSSCGKSA-N -1 1 287.762 3.410 20 0 CGADMM CCN(CCC(F)(F)F)Cc1csc(C(=O)[O-])c1 ZINC000652405578 418963480 /nfs/dbraw/zinc/96/34/80/418963480.db2.gz WFFLJBMTGPKQLO-UHFFFAOYSA-N -1 1 281.299 3.221 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CCC[C@H]4C[C@H]43)n2)c(F)c1 ZINC000664849001 419013836 /nfs/dbraw/zinc/01/38/36/419013836.db2.gz ZUWICHSLHONACM-MKPLZMMCSA-N -1 1 274.295 3.485 20 0 CGADMM CCCc1nc(C)c(CN(C)C2(C(=O)[O-])CCCCC2)o1 ZINC000659791979 418991047 /nfs/dbraw/zinc/99/10/47/418991047.db2.gz VYRLBPAANBZGKI-UHFFFAOYSA-N -1 1 294.395 3.155 20 0 CGADMM O=C([O-])c1ccc2c(c1)CN(CCCc1ccsc1)C2 ZINC000659791191 418992366 /nfs/dbraw/zinc/99/23/66/418992366.db2.gz WUPJPZYPZWWXOC-UHFFFAOYSA-N -1 1 287.384 3.395 20 0 CGADMM CC/C=C\CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000653786330 419085348 /nfs/dbraw/zinc/08/53/48/419085348.db2.gz UXNBKWMTQKZNAM-ARJAWSKDSA-N -1 1 273.254 3.107 20 0 CGADMM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1ccc([O-])c(F)c1 ZINC000665639623 419143267 /nfs/dbraw/zinc/14/32/67/419143267.db2.gz VFLGESCSIPFDKO-OLZOCXBDSA-N -1 1 277.339 3.087 20 0 CGADMM C[C@@H](c1ccc2ccccc2c1)N(C)Cc1n[n-]c(=O)o1 ZINC000660851135 419204243 /nfs/dbraw/zinc/20/42/43/419204243.db2.gz YKNHUZXQKYFLST-NSHDSACASA-N -1 1 283.331 3.121 20 0 CGADMM Cc1cnc(SCCCc2c(F)cccc2F)[n-]c1=O ZINC000657261852 419239463 /nfs/dbraw/zinc/23/94/63/419239463.db2.gz JCZQQBZYGMGDFG-UHFFFAOYSA-N -1 1 296.342 3.494 20 0 CGADMM CCc1nc(S[C@H](C)c2ccncc2)[n-]c(=O)c1C ZINC000657264961 419240149 /nfs/dbraw/zinc/24/01/49/419240149.db2.gz VPIHMXIIHNANOJ-SNVBAGLBSA-N -1 1 275.377 3.301 20 0 CGADMM CSc1ccc([O-])c(-c2nc([C@H]3CCCO3)no2)c1 ZINC000663308909 419548765 /nfs/dbraw/zinc/54/87/65/419548765.db2.gz RZGYASPCFXPPRP-LLVKDONJSA-N -1 1 278.333 3.016 20 0 CGADMM CC12CC(C1)CN2Cc1cc(C(=O)[O-])ccc1Cl ZINC000663315246 419553004 /nfs/dbraw/zinc/55/30/04/419553004.db2.gz FATWJOOMVBXUSX-UHFFFAOYSA-N -1 1 265.740 3.023 20 0 CGADMM CC1(C)CC[C@@H]1N=c1[n-]c(C(F)(F)F)cs1 ZINC000390517891 262204539 /nfs/dbraw/zinc/20/45/39/262204539.db2.gz DNMBVINDWOPXLQ-LURJTMIESA-N -1 1 250.289 3.184 20 0 CGADMM COC1(CCNC(=O)c2ccc3ccccc3c2[O-])CCC1 ZINC000319862553 262375986 /nfs/dbraw/zinc/37/59/86/262375986.db2.gz VSVOLPILACLEAG-UHFFFAOYSA-N -1 1 299.370 3.234 20 0 CGADMM COc1ccc(C(=O)N2C[C@@H](C)Cc3ccccc32)c([O-])c1 ZINC000105378611 270047610 /nfs/dbraw/zinc/04/76/10/270047610.db2.gz KQJBEUSAQNRRSN-LBPRGKRZSA-N -1 1 297.354 3.240 20 0 CGADMM COc1cccc(C)c1NC(=O)c1ccc([O-])cc1F ZINC000192950413 270078187 /nfs/dbraw/zinc/07/81/87/270078187.db2.gz DLCXXZBLZMVLEC-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM C[C@H]1CCC[C@H](NC(=O)c2c([O-])cccc2F)CC1 ZINC000227312388 270087081 /nfs/dbraw/zinc/08/70/81/270087081.db2.gz IQIAMFXBAANGQP-QWRGUYRKSA-N -1 1 265.328 3.230 20 0 CGADMM CC[C@@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC000228836989 270087750 /nfs/dbraw/zinc/08/77/50/270087750.db2.gz UCBNXGPNMROHHQ-ZYHUDNBSSA-N -1 1 265.328 3.230 20 0 CGADMM CC(C)c1nnc([N-]C(=O)c2conc2C(C)C)s1 ZINC000528125461 270155091 /nfs/dbraw/zinc/15/50/91/270155091.db2.gz ODNAOFBVVBXSOK-UHFFFAOYSA-N -1 1 280.353 3.025 20 0 CGADMM CCOc1cc(C(=O)NCC2CC=CC2)cc(Cl)c1[O-] ZINC000529714444 270188082 /nfs/dbraw/zinc/18/80/82/270188082.db2.gz SUPZQWXHTJLYET-UHFFFAOYSA-N -1 1 295.766 3.140 20 0 CGADMM CCC(NC(=O)c1ccc([O-])cc1F)(C1CC1)C1CC1 ZINC000529796351 270188611 /nfs/dbraw/zinc/18/86/11/270188611.db2.gz QKCVEJLFOVDWGT-UHFFFAOYSA-N -1 1 277.339 3.230 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@]12CCc1ccccc12 ZINC000532267359 270214740 /nfs/dbraw/zinc/21/47/40/270214740.db2.gz ISQWALBXWICQPC-RDTXWAMCSA-N -1 1 297.329 3.374 20 0 CGADMM FC(F)(F)c1csc(=NCCOC2CCCCC2)[n-]1 ZINC000533205617 270222271 /nfs/dbraw/zinc/22/22/71/270222271.db2.gz LTVYUBDXXUCLFK-UHFFFAOYSA-N -1 1 294.342 3.345 20 0 CGADMM CCc1ccnc(-c2nc3ccc(F)cc3c(=O)[n-]2)c1 ZINC000527284539 288163190 /nfs/dbraw/zinc/16/31/90/288163190.db2.gz PRDYDCDECUSTEN-UHFFFAOYSA-N -1 1 269.279 3.099 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000180704679 280181828 /nfs/dbraw/zinc/18/18/28/280181828.db2.gz USBKCSJSAWCQCK-UWVGGRQHSA-N -1 1 299.292 3.283 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCC12CC2 ZINC000529466778 288249493 /nfs/dbraw/zinc/24/94/93/288249493.db2.gz UIDNRYWTWDRKME-MRVPVSSYSA-N -1 1 267.275 3.189 20 0 CGADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530004111 288280812 /nfs/dbraw/zinc/28/08/12/288280812.db2.gz BBYUDGPGBFLEDP-YMTOWFKASA-N -1 1 251.301 3.152 20 0 CGADMM CO[C@H]1CCC[C@H](CC(=O)Nc2cccc(F)c2[O-])C1 ZINC000530004791 288281042 /nfs/dbraw/zinc/28/10/42/288281042.db2.gz GQIZVICUFQWPRA-QWRGUYRKSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@H]1CCC[C@@]1(C)C(=O)Nc1cccc(F)c1[O-] ZINC000530005767 288281695 /nfs/dbraw/zinc/28/16/95/288281695.db2.gz NQXXJBRIJXLPGZ-LKFCYVNXSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532881883 288372582 /nfs/dbraw/zinc/37/25/82/288372582.db2.gz VPHKKDZZWDXDAI-RYUDHWBXSA-N -1 1 294.395 3.220 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H]2C=CCCC2)n1 ZINC000551741437 289129707 /nfs/dbraw/zinc/12/97/07/289129707.db2.gz CNZOUVSBBUVRRS-NSHDSACASA-N -1 1 250.367 3.336 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3C3CC3)n2)c(F)c1 ZINC000556000853 289366880 /nfs/dbraw/zinc/36/68/80/289366880.db2.gz AZAVGMJABOGPMB-GHMZBOCLSA-N -1 1 260.268 3.095 20 0 CGADMM C[C@H]1CCC[C@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000091669691 299886860 /nfs/dbraw/zinc/88/68/60/299886860.db2.gz VIZRVBIFOBVECN-QWRGUYRKSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1ccccc1[C@H]1CN(CCCCC(=O)[O-])[C@H](C)CO1 ZINC000181567850 302220580 /nfs/dbraw/zinc/22/05/80/302220580.db2.gz GQQOLXPRFZMPFD-GDBMZVCRSA-N -1 1 291.391 3.012 20 0 CGADMM CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1(C)C ZINC000156584638 321783523 /nfs/dbraw/zinc/78/35/23/321783523.db2.gz HFLXWEYCQIPJHB-WDEREUQCSA-N -1 1 295.766 3.235 20 0 CGADMM C[C@@H]1SCCN(Cc2cc(C(=O)[O-])ccc2Cl)[C@H]1C ZINC000565103130 322060048 /nfs/dbraw/zinc/06/00/48/322060048.db2.gz JVKBVNIUAYAZPL-UWVGGRQHSA-N -1 1 299.823 3.364 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])ccc1Cl)C[C@@H]1CCCO1 ZINC000565427846 322077511 /nfs/dbraw/zinc/07/75/11/322077511.db2.gz TZNHTGLZZBFGTA-ZDUSSCGKSA-N -1 1 297.782 3.039 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN1CCc2ccsc2C1 ZINC000566360376 322118340 /nfs/dbraw/zinc/11/83/40/322118340.db2.gz XBZKETYCQNOKRA-UHFFFAOYSA-N -1 1 291.372 3.160 20 0 CGADMM Cc1ccc(CSc2ncc(C)c(=O)[n-]2)cc1C ZINC000566497610 322126806 /nfs/dbraw/zinc/12/68/06/322126806.db2.gz DHYIZIRTFWUCCC-UHFFFAOYSA-N -1 1 260.362 3.400 20 0 CGADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000568059098 322190026 /nfs/dbraw/zinc/19/00/26/322190026.db2.gz UKZDYXVBBIIIKW-MEDUHNTESA-N -1 1 294.395 3.220 20 0 CGADMM CC[C@@H]1CN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CCS1 ZINC000568062863 322190886 /nfs/dbraw/zinc/19/08/86/322190886.db2.gz STKOVIZQOKPYJV-WDEREUQCSA-N -1 1 283.393 3.175 20 0 CGADMM Cc1nc(C)c([C@H](C)N(C)Cc2occc2C(=O)[O-])s1 ZINC000569493464 322248907 /nfs/dbraw/zinc/24/89/07/322248907.db2.gz ZLIMILYNRBULHF-VIFPVBQESA-N -1 1 294.376 3.244 20 0 CGADMM O=C([O-])[C@@H](c1ccccc1F)N1CCc2ccsc2C1 ZINC000570219934 322268087 /nfs/dbraw/zinc/26/80/87/322268087.db2.gz OVSYPYAGPLXCED-CQSZACIVSA-N -1 1 291.347 3.071 20 0 CGADMM C[C@@H]1CCN(Cc2cc3ccccc3o2)[C@H](C(=O)[O-])C1 ZINC000570933947 322285994 /nfs/dbraw/zinc/28/59/94/322285994.db2.gz SGRPNDROBDXHSF-RISCZKNCSA-N -1 1 273.332 3.118 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C1(C(F)F)CCCC1 ZINC000573205166 322375463 /nfs/dbraw/zinc/37/54/63/322375463.db2.gz XVMHGYAHLNJNMK-UHFFFAOYSA-N -1 1 291.244 3.434 20 0 CGADMM CCSc1cccc(F)c1[N-]C(=O)c1cc(C)ncn1 ZINC000576087700 335151378 /nfs/dbraw/zinc/15/13/78/335151378.db2.gz VZJWHOSHJNZTHR-UHFFFAOYSA-N -1 1 291.351 3.288 20 0 CGADMM CCc1nc(-c2nc(-c3ccc([O-])cc3F)no2)c(C)o1 ZINC000350609125 335520100 /nfs/dbraw/zinc/52/01/00/335520100.db2.gz MMBMYSCSJIPILO-UHFFFAOYSA-N -1 1 289.266 3.107 20 0 CGADMM Cc1cnc(SCCCN(C)c2ccccc2)[n-]c1=O ZINC000579025901 335702379 /nfs/dbraw/zinc/70/23/79/335702379.db2.gz MGZOQIIRDSRUOG-UHFFFAOYSA-N -1 1 289.404 3.109 20 0 CGADMM CC1(C)CCCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000581397406 336068114 /nfs/dbraw/zinc/06/81/14/336068114.db2.gz UORXEIKIAAXFNO-UHFFFAOYSA-N -1 1 283.318 3.323 20 0 CGADMM CC(C)OC(C)(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000384183388 336122476 /nfs/dbraw/zinc/12/24/76/336122476.db2.gz GXQFUZYSYPKZFV-UHFFFAOYSA-N -1 1 271.744 3.188 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)CC(F)F)[nH][n-]2)s1 ZINC000411808917 534164618 /nfs/dbraw/zinc/16/46/18/534164618.db2.gz STEKHESMMSBKCX-ZETCQYMHSA-N -1 1 299.346 3.098 20 0 CGADMM COc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cn1 ZINC000436621242 534169688 /nfs/dbraw/zinc/16/96/88/534169688.db2.gz CXVJKCBGYJHNHS-UHFFFAOYSA-N -1 1 286.331 3.172 20 0 CGADMM C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000152791716 534178846 /nfs/dbraw/zinc/17/88/46/534178846.db2.gz KTVYUDVPQOITAV-KWQFWETISA-N -1 1 298.180 3.073 20 0 CGADMM C[C@@H](F)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000436533405 534279201 /nfs/dbraw/zinc/27/92/01/534279201.db2.gz JBUADSFSNCGJBV-SNVBAGLBSA-N -1 1 261.296 3.023 20 0 CGADMM [O-]c1ccc(-c2noc(C3(F)CCCC3)n2)c(F)c1 ZINC000436879791 534450915 /nfs/dbraw/zinc/45/09/15/534450915.db2.gz OLQKHYMGJXDAGG-UHFFFAOYSA-N -1 1 266.247 3.320 20 0 CGADMM [O-]c1ccc(-c2noc(-c3sccc3F)n2)c(F)c1 ZINC000436522811 534451159 /nfs/dbraw/zinc/45/11/59/534451159.db2.gz XDCUAESQDJRPGL-UHFFFAOYSA-N -1 1 280.255 3.449 20 0 CGADMM Cc1nc(S[C@H]2CCCC(C)(C)C2=O)[n-]c(=O)c1C ZINC000413005749 534534105 /nfs/dbraw/zinc/53/41/05/534534105.db2.gz ZZSWSIRCDWXJKO-JTQLQIEISA-N -1 1 280.393 3.039 20 0 CGADMM CN(CC1CCCCC1)C(=O)c1c([O-])cccc1F ZINC000184981659 522652661 /nfs/dbraw/zinc/65/26/61/522652661.db2.gz OFGXOKQVGDEOAO-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000068779173 524206828 /nfs/dbraw/zinc/20/68/28/524206828.db2.gz CTVBHAOMVIOQOX-SNVBAGLBSA-N -1 1 267.756 3.308 20 0 CGADMM CC(=O)c1cccc(CSc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000450913799 534889272 /nfs/dbraw/zinc/88/92/72/534889272.db2.gz ZPDBCWFDCDPVMC-UHFFFAOYSA-N -1 1 288.372 3.294 20 0 CGADMM CO[C@H](C)c1nc(=NC2CCC(C(C)C)CC2)s[n-]1 ZINC000509545305 536497158 /nfs/dbraw/zinc/49/71/58/536497158.db2.gz RTQMVURDQXPULS-VOMCLLRMSA-N -1 1 283.441 3.294 20 0 CGADMM CC(C)(NC(=O)c1c([O-])cccc1F)c1cccc(F)c1 ZINC000436990714 527283733 /nfs/dbraw/zinc/28/37/33/527283733.db2.gz PLIMRTLXIBPBLO-UHFFFAOYSA-N -1 1 291.297 3.336 20 0 CGADMM CC(=O)c1ccc(NC(=O)c2ccc(C)cc2[O-])cc1C ZINC000436830940 527313169 /nfs/dbraw/zinc/31/31/69/527313169.db2.gz DSWOMYPCDRNJGM-UHFFFAOYSA-N -1 1 283.327 3.464 20 0 CGADMM O=C([O-])CCC1CCN(Cc2ccc(Cl)s2)CC1 ZINC000050926237 527575675 /nfs/dbraw/zinc/57/56/75/527575675.db2.gz IXLUQWUKNSPSDR-UHFFFAOYSA-N -1 1 287.812 3.478 20 0 CGADMM CCC[C@@H]1C[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000436658661 527868047 /nfs/dbraw/zinc/86/80/47/527868047.db2.gz VRDUHDFGGJQYEG-LDYMZIIASA-N -1 1 262.284 3.485 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccc(F)cn2)c([O-])c1 ZINC000436493867 528079455 /nfs/dbraw/zinc/07/94/55/528079455.db2.gz VDWKLJJDOZUBLO-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(F)ccc2[O-])C1 ZINC000162870282 529219068 /nfs/dbraw/zinc/21/90/68/529219068.db2.gz OUZRHXQAZZBDOE-VXGBXAGGSA-N -1 1 297.395 3.278 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H](C)[C@@H]2CCC[C@H](C)C2)s[n-]1 ZINC000450932357 536498582 /nfs/dbraw/zinc/49/85/82/536498582.db2.gz RFUMZMDQGPTKGS-NNYUYHANSA-N -1 1 283.441 3.294 20 0 CGADMM CN(Cc1ccccc1F)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737492442 572347854 /nfs/dbraw/zinc/34/78/54/572347854.db2.gz SJOKIEGNMNMERK-HNNXBMFYSA-N -1 1 291.297 3.223 20 0 CGADMM c1cc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)nc(-c2nnn[n-]2)c1 ZINC000738413021 572374557 /nfs/dbraw/zinc/37/45/57/572374557.db2.gz LNXZQKZQECDPSY-YNEHKIRRSA-N -1 1 298.394 3.033 20 0 CGADMM c1cc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)nc(-c2nn[n-]n2)c1 ZINC000738413021 572374559 /nfs/dbraw/zinc/37/45/59/572374559.db2.gz LNXZQKZQECDPSY-YNEHKIRRSA-N -1 1 298.394 3.033 20 0 CGADMM O=C([O-])Nc1ccc(NCc2ccc3nc[nH]c3c2)cc1 ZINC000738666954 572386510 /nfs/dbraw/zinc/38/65/10/572386510.db2.gz JLULLTIEGUEZSN-UHFFFAOYSA-N -1 1 282.303 3.265 20 0 CGADMM O=C([O-])Nc1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000738666897 572386923 /nfs/dbraw/zinc/38/69/23/572386923.db2.gz IFNLQISFXAHOKD-UHFFFAOYSA-N -1 1 282.303 3.265 20 0 CGADMM Cc1cccnc1[C@H](NCc1ccoc1C(=O)[O-])C(C)C ZINC000738786386 572392167 /nfs/dbraw/zinc/39/21/67/572392167.db2.gz PFYONSLCVCBWES-CYBMUJFWSA-N -1 1 288.347 3.168 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CNC(C)(C)c1ccc(F)cc1 ZINC000738964956 572397703 /nfs/dbraw/zinc/39/77/03/572397703.db2.gz ZZJZIDRYPWKLKZ-UHFFFAOYSA-N -1 1 291.322 3.450 20 0 CGADMM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1cncc([O-])c1 ZINC000732277518 572457275 /nfs/dbraw/zinc/45/72/75/572457275.db2.gz JNEHTXDLQRIJEU-DOMZBBRYSA-N -1 1 290.407 3.370 20 0 CGADMM CCC[C@H]1CCCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000736435096 572791147 /nfs/dbraw/zinc/79/11/47/572791147.db2.gz JMKWKJIDGKQVPD-RYUDHWBXSA-N -1 1 286.383 3.033 20 0 CGADMM CCC[C@H]1CCCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000736435096 572791151 /nfs/dbraw/zinc/79/11/51/572791151.db2.gz JMKWKJIDGKQVPD-RYUDHWBXSA-N -1 1 286.383 3.033 20 0 CGADMM CCCC[C@@H](Nc1cccc2c1CN(CCC)C2)C(=O)[O-] ZINC000736983024 572832564 /nfs/dbraw/zinc/83/25/64/572832564.db2.gz XEDURWNQEJQFKA-MRXNPFEDSA-N -1 1 290.407 3.468 20 0 CGADMM C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000113395106 601506132 /nfs/dbraw/zinc/50/61/32/601506132.db2.gz QFWDYLCJZNFJCG-WPRPVWTQSA-N -1 1 288.174 3.146 20 0 CGADMM CCC[C@H](CC)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821016568 599500367 /nfs/dbraw/zinc/50/03/67/599500367.db2.gz XOQXHXLVYCBRQB-NSHDSACASA-N -1 1 296.378 3.406 20 0 CGADMM CCC[C@H](CC)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821016568 599500368 /nfs/dbraw/zinc/50/03/68/599500368.db2.gz XOQXHXLVYCBRQB-NSHDSACASA-N -1 1 296.378 3.406 20 0 CGADMM C[C@H](NCc1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC000228156192 599844504 /nfs/dbraw/zinc/84/45/04/599844504.db2.gz WRXHRDKLSVQIPQ-VIFPVBQESA-N -1 1 279.723 3.482 20 0 CGADMM C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC000235357599 601499697 /nfs/dbraw/zinc/49/96/97/601499697.db2.gz FMDGHRLXTAYMJG-LDYMZIIASA-N -1 1 288.174 3.146 20 0 CGADMM Cc1ccc(CSCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826288470 607532828 /nfs/dbraw/zinc/53/28/28/607532828.db2.gz IIRCPLXESWGJGW-UHFFFAOYSA-N -1 1 297.387 3.004 20 0 CGADMM Cc1ccc(CSCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826288470 607532829 /nfs/dbraw/zinc/53/28/29/607532829.db2.gz IIRCPLXESWGJGW-UHFFFAOYSA-N -1 1 297.387 3.004 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1ccc(F)c(Cl)c1 ZINC000899348965 620653342 /nfs/dbraw/zinc/65/33/42/620653342.db2.gz QNNFNLSJXBYICV-UHFFFAOYSA-N -1 1 266.703 3.372 20 0 CGADMM Cc1cccc([C@@H]2CCCN2Cc2ccoc2C(=O)[O-])n1 ZINC000832967575 604367967 /nfs/dbraw/zinc/36/79/67/604367967.db2.gz IMLNDTLHYPTGMI-AWEZNQCLSA-N -1 1 286.331 3.018 20 0 CGADMM C[C@H]1CN(Cc2cccc(Cl)c2Cl)C[C@@H]1C(=O)[O-] ZINC000086774475 604670075 /nfs/dbraw/zinc/67/00/75/604670075.db2.gz GXSOPYBQFYWEBZ-WPRPVWTQSA-N -1 1 288.174 3.146 20 0 CGADMM Cc1nc([C@@H](C)N[C@@H](CNC(=O)[O-])CC(C)C)c(C)s1 ZINC000830710069 605502053 /nfs/dbraw/zinc/50/20/53/605502053.db2.gz YHJXZQXNPTWRII-BXKDBHETSA-N -1 1 299.440 3.093 20 0 CGADMM Cc1occc1CN[C@@H]1C[C@@H](NC(=O)[O-])c2ccccc21 ZINC000833939176 605793655 /nfs/dbraw/zinc/79/36/55/605793655.db2.gz ROGYOTUZYYHNMD-HUUCEWRRSA-N -1 1 286.331 3.131 20 0 CGADMM CC(C)(C)c1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000819958019 606132034 /nfs/dbraw/zinc/13/20/34/606132034.db2.gz GSIFROOMGHDRQL-UHFFFAOYSA-N -1 1 297.362 3.369 20 0 CGADMM CC(C)(C)c1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000819958019 606132036 /nfs/dbraw/zinc/13/20/36/606132036.db2.gz GSIFROOMGHDRQL-UHFFFAOYSA-N -1 1 297.362 3.369 20 0 CGADMM CC(C)c1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000824347643 607894654 /nfs/dbraw/zinc/89/46/54/607894654.db2.gz ILZSMWRGLAKBEQ-UHFFFAOYSA-N -1 1 280.335 3.129 20 0 CGADMM CC(C)c1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000824347643 607894655 /nfs/dbraw/zinc/89/46/55/607894655.db2.gz ILZSMWRGLAKBEQ-UHFFFAOYSA-N -1 1 280.335 3.129 20 0 CGADMM Cc1oc(CN[C@@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000235523623 617898336 /nfs/dbraw/zinc/89/83/36/617898336.db2.gz HYXLERUINWRROR-NSHDSACASA-N -1 1 273.332 3.445 20 0 CGADMM CCN(CC(C)C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900144887 620766351 /nfs/dbraw/zinc/76/63/51/620766351.db2.gz RTIIZWTVLQDZQL-UHFFFAOYSA-N -1 1 290.338 3.198 20 0 CGADMM Cc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000049082739 618057620 /nfs/dbraw/zinc/05/76/20/618057620.db2.gz IESSYWSUAWNTON-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM C[C@H](c1cccs1)[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000235166157 618721544 /nfs/dbraw/zinc/72/15/44/618721544.db2.gz UWNWUFMPKLWMDO-SNVBAGLBSA-N -1 1 276.361 3.034 20 0 CGADMM C[C@H](c1cccs1)N(C)Cc1cccc(C(=O)[O-])n1 ZINC000235166157 618721545 /nfs/dbraw/zinc/72/15/45/618721545.db2.gz UWNWUFMPKLWMDO-SNVBAGLBSA-N -1 1 276.361 3.034 20 0 CGADMM O=C(NCCc1ccccc1)c1c([O-])cccc1Cl ZINC000049082076 619681377 /nfs/dbraw/zinc/68/13/77/619681377.db2.gz YBDPAKBDOMXCHU-UHFFFAOYSA-N -1 1 275.735 3.018 20 0 CGADMM O=C(NCc1ccccc1F)c1c([O-])cccc1Cl ZINC000049084747 619683612 /nfs/dbraw/zinc/68/36/12/619683612.db2.gz FKCBEUKTDNMIBT-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM CN(Cc1ccns1)Cc1cccc([O-])c1Cl ZINC000895452735 619832219 /nfs/dbraw/zinc/83/22/19/619832219.db2.gz TZYCWUQRDWCSTB-UHFFFAOYSA-N -1 1 268.769 3.134 20 0 CGADMM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000899020378 620616231 /nfs/dbraw/zinc/61/62/31/620616231.db2.gz VQMCITXWSCMENQ-LBPRGKRZSA-N -1 1 299.370 3.369 20 0 CGADMM O=C(CC(F)(F)C(F)F)Nc1ccc([O-])c(Cl)c1 ZINC000901162360 620839233 /nfs/dbraw/zinc/83/92/33/620839233.db2.gz JQMNCOKWEHURCM-UHFFFAOYSA-N -1 1 285.624 3.275 20 0 CGADMM C[C@@H]1CN(Cc2ccc(/C=C/C(=O)[O-])o2)C[C@@H](C)C1(F)F ZINC000901539586 620919759 /nfs/dbraw/zinc/91/97/59/620919759.db2.gz IOFSBMHTDLOZCP-XIJCSBCJSA-N -1 1 299.317 3.101 20 0 CGADMM CCCC(=O)CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901616555 620954247 /nfs/dbraw/zinc/95/42/47/620954247.db2.gz OSYMDFONXKKXLI-UHFFFAOYSA-N -1 1 288.372 3.311 20 0 CGADMM CCO[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901616113 620954607 /nfs/dbraw/zinc/95/46/07/620954607.db2.gz KQDUAVMXUHDNQE-JTQLQIEISA-N -1 1 276.361 3.324 20 0 CGADMM CCc1ccc(CN[C@@H](CC2CCCCC2)C(=O)[O-])o1 ZINC000901771206 621018880 /nfs/dbraw/zinc/01/88/80/621018880.db2.gz BBIYCVNBAQLXHV-HNNXBMFYSA-N -1 1 279.380 3.355 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CNCc2csc(C(=O)[O-])c2)o1 ZINC000902108547 621138185 /nfs/dbraw/zinc/13/81/85/621138185.db2.gz LXVLGXYXQHNWDV-BXKDBHETSA-N -1 1 291.372 3.453 20 0 CGADMM Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902174644 621185417 /nfs/dbraw/zinc/18/54/17/621185417.db2.gz PVTRRSZJGLMIMY-NADMHLTPSA-N -1 1 297.354 3.463 20 0 CGADMM O=C([O-])c1cc(CNC2(c3ccccc3)CC2)cs1 ZINC000902213409 621186676 /nfs/dbraw/zinc/18/66/76/621186676.db2.gz ACFSVAAHMIEJRB-UHFFFAOYSA-N -1 1 273.357 3.225 20 0 CGADMM Cc1cccc2c1CC[C@@H]2NCc1ccc(C(=O)[O-])o1 ZINC000902230304 621203125 /nfs/dbraw/zinc/20/31/25/621203125.db2.gz BPIBERAYPHTFJJ-AWEZNQCLSA-N -1 1 271.316 3.063 20 0 CGADMM C[C@H](C[N@@H+](C)Cc1cc(C(=O)[O-])no1)C1CCCCC1 ZINC000902324513 621261561 /nfs/dbraw/zinc/26/15/61/621261561.db2.gz FTPGEZWNFDXUOK-LLVKDONJSA-N -1 1 280.368 3.021 20 0 CGADMM C[C@@H](COCC1CCCCC1)NCc1cc(C(=O)[O-])co1 ZINC000902572638 621376386 /nfs/dbraw/zinc/37/63/86/621376386.db2.gz PJDJLCFAUFTNLC-LBPRGKRZSA-N -1 1 295.379 3.053 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(C(=O)[O-])s2)o1 ZINC000903676585 621787384 /nfs/dbraw/zinc/78/73/84/621787384.db2.gz ASMRFEQRNHEULA-SKDRFNHKSA-N -1 1 291.372 3.453 20 0 CGADMM CCc1ncc(CN[C@@H](CC(=O)[O-])c2ccsc2)s1 ZINC000903989245 621847678 /nfs/dbraw/zinc/84/76/78/621847678.db2.gz VEDAINXOMRGZTF-NSHDSACASA-N -1 1 296.417 3.073 20 0 CGADMM Cc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)o1 ZINC000904042982 621858469 /nfs/dbraw/zinc/85/84/69/621858469.db2.gz NJNFXUQRBIHIAU-OAHLLOKOSA-N -1 1 273.332 3.202 20 0 CGADMM COc1cnc(C=Cc2c(C)cc(C)cc2C)[n-]c1=O ZINC000905076199 622037048 /nfs/dbraw/zinc/03/70/48/622037048.db2.gz CECFXOJNBKNNJZ-AATRIKPKSA-N -1 1 270.332 3.286 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)Cc1sc(C2CCC2)nc1C ZINC000908351451 622344243 /nfs/dbraw/zinc/34/42/43/622344243.db2.gz FXLNXLHWJIRZLI-JTQLQIEISA-N -1 1 296.436 3.355 20 0 CGADMM C[C@H](C(=O)Nc1cccc([O-])c1Br)C1CC1 ZINC000908712676 622368959 /nfs/dbraw/zinc/36/89/59/622368959.db2.gz IKQPPVVYKGYSJA-ZETCQYMHSA-N -1 1 284.153 3.139 20 0 CGADMM CC/C(C)=C\C(=O)Nc1cccc([O-])c1Br ZINC000908708633 622369297 /nfs/dbraw/zinc/36/92/97/622369297.db2.gz YTVINVNJGVCRQG-FPLPWBNLSA-N -1 1 284.153 3.450 20 0 CGADMM CC(C)(C)C(=O)Nc1cccc([O-])c1Br ZINC000908716025 622369709 /nfs/dbraw/zinc/36/97/09/622369709.db2.gz YQFQPLCRJBKVHZ-UHFFFAOYSA-N -1 1 272.142 3.139 20 0 CGADMM CC[C@H](C)CCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909986740 622443573 /nfs/dbraw/zinc/44/35/73/622443573.db2.gz ALHLOIFYGXEJDL-QMMMGPOBSA-N -1 1 257.280 3.435 20 0 CGADMM C[C@@H]1CC/C(=C\C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909981975 622445161 /nfs/dbraw/zinc/44/51/61/622445161.db2.gz CCQIEMRRIUOQTK-CBVZUMJXSA-N -1 1 267.275 3.355 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCCC12CC2 ZINC000910995080 622514204 /nfs/dbraw/zinc/51/42/04/622514204.db2.gz XSOJLPGIGKFPPR-VIFPVBQESA-N -1 1 267.275 3.189 20 0 CGADMM CCc1cc(=O)[n-]c(SCCSC(F)(F)F)n1 ZINC000917512263 624278295 /nfs/dbraw/zinc/27/82/95/624278295.db2.gz COCOCFHKEGXFAH-UHFFFAOYSA-N -1 1 284.328 3.090 20 0 CGADMM CCc1nc(SC[C@H]2CC[C@H](C3CC3)O2)[n-]c(=O)c1C ZINC000917842933 624315234 /nfs/dbraw/zinc/31/52/34/624315234.db2.gz LUBWLNVPOCOIFT-DGCLKSJQSA-N -1 1 294.420 3.103 20 0 CGADMM O=C1Nc2ccccc2/C1=C\c1cc(F)c([O-])c(F)c1 ZINC000175316140 624628128 /nfs/dbraw/zinc/62/81/28/624628128.db2.gz OEOUHFLRZKKPNM-BJMVGYQFSA-N -1 1 273.238 3.163 20 0 CGADMM CC1(C)CCCC[C@H]1CC(=O)[N-]OCC(F)(F)F ZINC000752127433 626419841 /nfs/dbraw/zinc/41/98/41/626419841.db2.gz MVWKLZMNNDSLMO-VIFPVBQESA-N -1 1 267.291 3.203 20 0 CGADMM CCC1(CNC(=O)c2c([O-])cccc2Cl)CCC1 ZINC000752823981 626440609 /nfs/dbraw/zinc/44/06/09/626440609.db2.gz GBXMUQTZLAOHFN-UHFFFAOYSA-N -1 1 267.756 3.356 20 0 CGADMM O=C(NC1CCCCCCC1)c1ccc([O-])c(F)c1 ZINC000767245748 627393595 /nfs/dbraw/zinc/39/35/95/627393595.db2.gz JMPKOHYNEIFFDZ-UHFFFAOYSA-N -1 1 265.328 3.374 20 0 CGADMM Cc1ccc(N(C)C(=O)c2ccc([O-])c(F)c2)cc1C ZINC000767307399 627397395 /nfs/dbraw/zinc/39/73/95/627397395.db2.gz WVRIASBXKDZTBH-UHFFFAOYSA-N -1 1 273.307 3.425 20 0 CGADMM Cc1ccc([C@H](C)C(=O)Nc2ccc(F)cc2[O-])o1 ZINC000768257663 627470777 /nfs/dbraw/zinc/47/07/77/627470777.db2.gz IMGYPJSVIYDZDN-VIFPVBQESA-N -1 1 263.268 3.175 20 0 CGADMM CC1(C)CN(C(=O)c2c([O-])cccc2Cl)C(C)(C)CO1 ZINC000769859131 627584197 /nfs/dbraw/zinc/58/41/97/627584197.db2.gz NYZLKYSPRXYULE-UHFFFAOYSA-N -1 1 297.782 3.075 20 0 CGADMM C[C@H](Cc1ccccc1F)C(=O)[N-]Oc1ccccc1 ZINC000773472845 627888238 /nfs/dbraw/zinc/88/82/38/627888238.db2.gz LDDFSQMLRREZOV-GFCCVEGCSA-N -1 1 273.307 3.115 20 0 CGADMM C[C@@H](Cc1ccccc1F)C(=O)[N-]Oc1ccccc1 ZINC000773472846 627888321 /nfs/dbraw/zinc/88/83/21/627888321.db2.gz LDDFSQMLRREZOV-LBPRGKRZSA-N -1 1 273.307 3.115 20 0 CGADMM O=C(OC/C(Cl)=C\Cl)c1ccc([O-])cc1F ZINC000773567463 627897431 /nfs/dbraw/zinc/89/74/31/627897431.db2.gz VJIBHDNRUKSGID-GQCTYLIASA-N -1 1 265.067 3.007 20 0 CGADMM O=C(OCCOC1CCCCCC1)c1ccc([O-])cc1F ZINC000773571198 627897973 /nfs/dbraw/zinc/89/79/73/627897973.db2.gz QTAYQABSJORSAI-UHFFFAOYSA-N -1 1 296.338 3.428 20 0 CGADMM CCCCCC(C)(C)C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC000774291061 627972654 /nfs/dbraw/zinc/97/26/54/627972654.db2.gz CBLUUFVMXLGRJB-UHFFFAOYSA-N -1 1 295.383 3.131 20 0 CGADMM O=C(O[C@@H]1C=CCCC1)c1ccc(Br)c([O-])c1 ZINC000778828706 628374225 /nfs/dbraw/zinc/37/42/25/628374225.db2.gz JXPUSZMCAQJBNP-SNVBAGLBSA-N -1 1 297.148 3.420 20 0 CGADMM COc1ccc(C=C2SC(=O)[N-]C2=O)cc1C(C)(C)C ZINC000874929731 634654947 /nfs/dbraw/zinc/65/49/47/634654947.db2.gz OBJBPXGGUPPIPD-XYOKQWHBSA-N -1 1 291.372 3.317 20 0 CGADMM O=C(CCCc1ccsc1)Nc1nc(Cl)ccc1[O-] ZINC000790047248 629179587 /nfs/dbraw/zinc/17/95/87/629179587.db2.gz IABQJZDMNWSIDQ-UHFFFAOYSA-N -1 1 296.779 3.464 20 0 CGADMM C[C@@H]1CC(F)(F)CCN1C(=O)c1c([O-])cccc1Cl ZINC000863011386 629460375 /nfs/dbraw/zinc/46/03/75/629460375.db2.gz JRAWJSKNDFIOEG-MRVPVSSYSA-N -1 1 289.709 3.305 20 0 CGADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000864859412 629934966 /nfs/dbraw/zinc/93/49/66/629934966.db2.gz YUXDDWIKTXKIOA-CHWSQXEVSA-N -1 1 299.374 3.403 20 0 CGADMM Cc1nc(C)c(CSc2nc(C)c(C3CC3)c(=O)[n-]2)o1 ZINC000865373312 630082575 /nfs/dbraw/zinc/08/25/75/630082575.db2.gz OQZYUNVTRSWIQG-UHFFFAOYSA-N -1 1 291.376 3.265 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1C[C@H]1c1ccccc1 ZINC000803172457 630450852 /nfs/dbraw/zinc/45/08/52/630450852.db2.gz PRBMUDRNHMEOPG-WDEREUQCSA-N -1 1 288.734 3.183 20 0 CGADMM O=C(OC[C@H]1Cc2ccccc21)c1ccc([O-])cc1F ZINC000803417861 630475648 /nfs/dbraw/zinc/47/56/48/630475648.db2.gz OODNZPZIQGZJCX-LLVKDONJSA-N -1 1 272.275 3.028 20 0 CGADMM O=C(NC12CCC(CC1)CC2)c1c([O-])cccc1Cl ZINC000836884353 634822752 /nfs/dbraw/zinc/82/27/52/634822752.db2.gz XWIPHLABNFBCHD-UHFFFAOYSA-N -1 1 279.767 3.498 20 0 CGADMM Cc1ccc(CC(=O)Nc2ccc(F)cc2[O-])c(Cl)n1 ZINC000807084729 630583070 /nfs/dbraw/zinc/58/30/70/630583070.db2.gz VLLVYKCVNIKNFA-UHFFFAOYSA-N -1 1 294.713 3.069 20 0 CGADMM CC[C@]1(C)CCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876396028 634826495 /nfs/dbraw/zinc/82/64/95/634826495.db2.gz UTPYPKRXYYOBBV-OAHLLOKOSA-N -1 1 296.798 3.377 20 0 CGADMM CC[C@H]1[C@@H](C)CCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876396092 634826803 /nfs/dbraw/zinc/82/68/03/634826803.db2.gz WVSAGRLHXQMCHZ-GWCFXTLKSA-N -1 1 296.798 3.376 20 0 CGADMM CC[C@](C)(NC(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000876400242 634827440 /nfs/dbraw/zinc/82/74/40/634827440.db2.gz WYOSPIMPHQKOII-HNNXBMFYSA-N -1 1 296.798 3.424 20 0 CGADMM CCCCSCC(=O)Nc1ccc([O-])c(F)c1F ZINC000837087168 634851988 /nfs/dbraw/zinc/85/19/88/634851988.db2.gz HGHPQKWMGQPGND-UHFFFAOYSA-N -1 1 275.320 3.142 20 0 CGADMM CC(C)C[C@H](C(=O)[N-]OCC1CC1)c1ccccc1 ZINC000817329711 632123794 /nfs/dbraw/zinc/12/37/94/632123794.db2.gz CZFLURUBCLJLMM-HNNXBMFYSA-N -1 1 261.365 3.274 20 0 CGADMM CCCO[N-]C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000844084931 635817553 /nfs/dbraw/zinc/81/75/53/635817553.db2.gz JPANRKVOJDSYSY-LBPRGKRZSA-N -1 1 257.333 3.401 20 0 CGADMM COc1cnc(C=Cc2ccc(C(C)C)cc2)[n-]c1=O ZINC000821007525 632711531 /nfs/dbraw/zinc/71/15/31/632711531.db2.gz ITEDWNFMMSYZMA-TWGQIWQCSA-N -1 1 270.332 3.485 20 0 CGADMM CC(C)[C@H]1C[C@@H](C(=O)Nc2cc([O-])c(F)cc2F)CCO1 ZINC000822542795 632966868 /nfs/dbraw/zinc/96/68/68/632966868.db2.gz IBBZATNXJYFVBY-LKFCYVNXSA-N -1 1 299.317 3.060 20 0 CGADMM O=C(C[C@H]1CC=CCC1)Nc1cc([O-])c(F)cc1F ZINC000822543294 632967542 /nfs/dbraw/zinc/96/75/42/632967542.db2.gz SOYICZYAHRYMFL-VIFPVBQESA-N -1 1 267.275 3.355 20 0 CGADMM C/C(=C\CN(Cc1ccco1)Cc1ccccc1)C(=O)[O-] ZINC000825729585 633377955 /nfs/dbraw/zinc/37/79/55/633377955.db2.gz HBYIKTJPJZLBMJ-NTEUORMPSA-N -1 1 285.343 3.313 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)[C@]12C[C@H]1CCCC2 ZINC000870528637 633598360 /nfs/dbraw/zinc/59/83/60/633598360.db2.gz LPAUFXYNQBOFKF-IETSOEAISA-N -1 1 277.339 3.230 20 0 CGADMM O=C(NC1CC2(CSC2)C1)c1cc2ccccc2cc1[O-] ZINC000871512382 633781543 /nfs/dbraw/zinc/78/15/43/633781543.db2.gz GJRNYNREOCCLRI-UHFFFAOYSA-N -1 1 299.395 3.171 20 0 CGADMM CC1(C)CCc2c([n-]n(CCc3ccccc3)c2=O)C1 ZINC000871946127 633923163 /nfs/dbraw/zinc/92/31/63/633923163.db2.gz LLTKEEFPFIRIPV-AWEZNQCLSA-N -1 1 270.376 3.254 20 0 CGADMM CCc1[n-]n(-c2cccc(Cl)c2C)c(=O)c1F ZINC000871944770 633923223 /nfs/dbraw/zinc/92/32/23/633923223.db2.gz RGSYSLQAPWUAJX-NSHDSACASA-N -1 1 254.692 3.099 20 0 CGADMM CC1(C)CCc2c([n-]n(CC(F)(F)C(F)(F)F)c2=O)C1 ZINC000871951041 633924044 /nfs/dbraw/zinc/92/40/44/633924044.db2.gz IPOZSNWKJGPDPK-SSDOTTSWSA-N -1 1 298.255 3.209 20 0 CGADMM CCc1[n-]n([C@H](Cc2ccccc2)C(C)C)c(=O)c1F ZINC000871957227 633927105 /nfs/dbraw/zinc/92/71/05/633927105.db2.gz AZRPEGKRGCWMAV-CABCVRRESA-N -1 1 276.355 3.200 20 0 CGADMM CCc1cc(Br)ccc1-n1[n-]c(C)c(F)c1=O ZINC000871957012 633927320 /nfs/dbraw/zinc/92/73/20/633927320.db2.gz LEGIVFIMJYGOQY-LLVKDONJSA-N -1 1 299.143 3.072 20 0 CGADMM CCc1[n-]n(-c2cc(C(F)(F)F)ccc2F)c(=O)c1F ZINC000871958632 633928192 /nfs/dbraw/zinc/92/81/92/633928192.db2.gz DOBKYCXTDNZNQU-JTQLQIEISA-N -1 1 292.207 3.295 20 0 CGADMM CC[C@H]1CN(Cc2ccc(C)c(C(=O)[O-])c2)[C@@H](CC)CO1 ZINC000872158336 634069307 /nfs/dbraw/zinc/06/93/07/634069307.db2.gz ANNHRABKBFJPND-GJZGRUSLSA-N -1 1 291.391 3.083 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCC[C@H]1C=CCC1 ZINC000834313252 634139399 /nfs/dbraw/zinc/13/93/99/634139399.db2.gz FQWWMEKODPAOHQ-LBPRGKRZSA-N -1 1 293.794 3.451 20 0 CGADMM [O-]c1ccc(CNc2nc(C3CC3)ns2)cc1Cl ZINC000872726302 634197612 /nfs/dbraw/zinc/19/76/12/634197612.db2.gz ORJMHXGBXLEYMG-UHFFFAOYSA-N -1 1 281.768 3.387 20 0 CGADMM CCC/C=C/C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821528 634247934 /nfs/dbraw/zinc/24/79/34/634247934.db2.gz AIXUZRMOXLBLJP-SNAWJCMRSA-N -1 1 253.729 3.018 20 0 CGADMM CC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821794 634248037 /nfs/dbraw/zinc/24/80/37/634248037.db2.gz GXTDHJCIVHBZBA-NEPJUHHUSA-N -1 1 281.783 3.488 20 0 CGADMM CC(C)CCCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834823074 634248379 /nfs/dbraw/zinc/24/83/79/634248379.db2.gz SEBJRMZJPOZODQ-UHFFFAOYSA-N -1 1 269.772 3.488 20 0 CGADMM CC/C(C)=C(\C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834826985 634248976 /nfs/dbraw/zinc/24/89/76/634248976.db2.gz VIHBIBMKAHKYER-MDZDMXLPSA-N -1 1 267.756 3.408 20 0 CGADMM CCCCCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833981 634252728 /nfs/dbraw/zinc/25/27/28/634252728.db2.gz RTNSVTIYLRLJKQ-UHFFFAOYSA-N -1 1 255.745 3.242 20 0 CGADMM CCOc1cccc(CNCc2ccc(O)c(Cl)c2)n1 ZINC000873180003 634272907 /nfs/dbraw/zinc/27/29/07/634272907.db2.gz ZEWSGNGJVRBSPC-UHFFFAOYSA-N -1 1 292.766 3.129 20 0 CGADMM CCCO[N-]C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000844089176 635819644 /nfs/dbraw/zinc/81/96/44/635819644.db2.gz YQEBFWIFCJDSLV-LBPRGKRZSA-N -1 1 277.364 3.087 20 0 CGADMM CC[C@H](C)CON=C(O)N=c1s[nH]c2ccccc21 ZINC000879824304 635869559 /nfs/dbraw/zinc/86/95/59/635869559.db2.gz ZZCPNXYDCMJPNO-VIFPVBQESA-N -1 1 279.365 3.396 20 0 CGADMM CC1(C)C[C@@]1(C)CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000881545158 636139946 /nfs/dbraw/zinc/13/99/46/636139946.db2.gz HNSLVAYPXRLSES-HNNXBMFYSA-N -1 1 281.783 3.141 20 0 CGADMM O=C(NCC[C@@H]1CCCC1(F)F)c1ccc([O-])c(F)c1 ZINC000881584139 636151267 /nfs/dbraw/zinc/15/12/67/636151267.db2.gz QUXUSJSDWBAQDC-JTQLQIEISA-N -1 1 287.281 3.087 20 0 CGADMM C[C@H](C(=O)[N-]OCCC1CC1)c1ccc(Cl)cc1 ZINC000846219582 636162124 /nfs/dbraw/zinc/16/21/24/636162124.db2.gz SUKIXBTZEDCUMZ-JTQLQIEISA-N -1 1 267.756 3.291 20 0 CGADMM CC[C@@](C)([N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000849466198 636824518 /nfs/dbraw/zinc/82/45/18/636824518.db2.gz DWGZYCDEJNPHRE-OAHLLOKOSA-N -1 1 293.388 3.290 20 0 CGADMM CC[C@H]1CC[C@@H](C(=O)Nc2cc(F)c([O-])cc2Cl)O1 ZINC000885676489 637284104 /nfs/dbraw/zinc/28/41/04/637284104.db2.gz OTHWBGVKQYJAET-MADCSZMMSA-N -1 1 287.718 3.081 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1(C2CC2)CC1 ZINC000885680749 637285343 /nfs/dbraw/zinc/28/53/43/637285343.db2.gz XXCVMMADZLBGNS-UHFFFAOYSA-N -1 1 269.703 3.313 20 0 CGADMM C/C(=C\CN1CCc2oc(-c3ccccc3)cc2C1)C(=O)[O-] ZINC000851708337 637469266 /nfs/dbraw/zinc/46/92/66/637469266.db2.gz DIRNUOTUOQYYIG-NTUHNPAUSA-N -1 1 297.354 3.336 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CC12CCC2 ZINC000885675760 638035302 /nfs/dbraw/zinc/03/53/02/638035302.db2.gz ABIZQMFFZZRFAR-SSDOTTSWSA-N -1 1 269.703 3.313 20 0 CGADMM C/C=C(\CC)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678466 638048955 /nfs/dbraw/zinc/04/89/55/638048955.db2.gz PXLYSKYTIHDQKX-XVNBXDOJSA-N -1 1 257.692 3.480 20 0 CGADMM O=C([N-]Oc1ccccc1)C(C1CCC1)C1CCC1 ZINC000854536381 638067646 /nfs/dbraw/zinc/06/76/46/638067646.db2.gz QYQUEJXLVZRHNJ-UHFFFAOYSA-N -1 1 259.349 3.313 20 0 CGADMM O=C([N-]Oc1ccccc1)C1CCC(C(F)(F)F)CC1 ZINC000854537043 638068256 /nfs/dbraw/zinc/06/82/56/638068256.db2.gz OCBHJIMPYIDKJT-UHFFFAOYSA-N -1 1 287.281 3.465 20 0 CGADMM CC(C)[N@@H+]1CCC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000924007236 638288585 /nfs/dbraw/zinc/28/85/85/638288585.db2.gz ZZBCYEZBHWVERM-ZDUSSCGKSA-N -1 1 291.326 3.127 20 0 CGADMM CC(C)CC1(CNc2cc(Cl)[n-]c(=O)n2)CCC1 ZINC000858442376 638719731 /nfs/dbraw/zinc/71/97/31/638719731.db2.gz GYUBVKAVBHINTH-UHFFFAOYSA-N -1 1 269.776 3.464 20 0 CGADMM CC(C)[C@H](CC(F)(F)F)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858505762 638748934 /nfs/dbraw/zinc/74/89/34/638748934.db2.gz ANXXCPXNLDSXMA-LURJTMIESA-N -1 1 283.681 3.225 20 0 CGADMM CC1(C)CCC[C@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858555757 638761031 /nfs/dbraw/zinc/76/10/31/638761031.db2.gz QFZKMZFZKMPLQA-QMMMGPOBSA-N -1 1 255.749 3.074 20 0 CGADMM C[C@H](Nc1cc(Cl)[n-]c(=O)n1)[C@H]1CCC[C@@H](C)C1 ZINC000858565067 638762338 /nfs/dbraw/zinc/76/23/38/638762338.db2.gz FPQPTJXQTPYBOO-UTLUCORTSA-N -1 1 269.776 3.462 20 0 CGADMM C[C@H](Nc1cc(Cl)[n-]c(=O)n1)[C@@H]1CCC[C@@H](C)C1 ZINC000858565065 638762654 /nfs/dbraw/zinc/76/26/54/638762654.db2.gz FPQPTJXQTPYBOO-KXUCPTDWSA-N -1 1 269.776 3.462 20 0 CGADMM O=c1nc(N2CCCC[C@@H]2CC2CCC2)cc(Cl)[n-]1 ZINC000858634637 639005498 /nfs/dbraw/zinc/00/54/98/639005498.db2.gz HHLCSQIUDAQILV-LLVKDONJSA-N -1 1 281.787 3.385 20 0 CGADMM CCC(F)(F)C(C)(C)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858759432 639019385 /nfs/dbraw/zinc/01/93/85/639019385.db2.gz XFRDMDXNPCUIRQ-UHFFFAOYSA-N -1 1 279.718 3.319 20 0 CGADMM CCOc1ccccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188350307 640131266 /nfs/dbraw/zinc/13/12/66/640131266.db2.gz YJSCMDBXNGLDCG-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM CCc1ccc(C(=O)N2CCOc3cc(C)ccc32)c([O-])c1 ZINC000191825485 640333645 /nfs/dbraw/zinc/33/36/45/640333645.db2.gz JLYHGXYYFMZKPA-UHFFFAOYSA-N -1 1 297.354 3.302 20 0 CGADMM COc1ccc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001250530889 805679671 /nfs/dbraw/zinc/67/96/71/805679671.db2.gz INMBHMZINJNMKG-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM COc1ccc2nc(-c3ccc([O-])c(F)c3F)n(C)c2c1 ZINC001250915181 805797401 /nfs/dbraw/zinc/79/74/01/805797401.db2.gz RANIEXYCCZOQBJ-UHFFFAOYSA-N -1 1 290.269 3.233 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2ccccc2)cc(F)c1F ZINC001251154774 805857039 /nfs/dbraw/zinc/85/70/39/805857039.db2.gz BYFOXNBHQGKMTR-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM Cc1cc(C(=O)Nc2ccc([O-])c(F)c2F)oc1C ZINC001157805794 805874609 /nfs/dbraw/zinc/87/46/09/805874609.db2.gz QJUGWYNZFFHZNV-UHFFFAOYSA-N -1 1 267.231 3.133 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C1Cc2ccccc2C1 ZINC001157811742 805877728 /nfs/dbraw/zinc/87/77/28/805877728.db2.gz QXDMGTXEORDVMG-UHFFFAOYSA-N -1 1 289.281 3.024 20 0 CGADMM [S-]c1ccc(-c2nc3cc4c(cc3[nH]2)OCC4)cc1 ZINC001251299234 805877786 /nfs/dbraw/zinc/87/77/86/805877786.db2.gz FUYPDKFXMPCMPB-UHFFFAOYSA-N -1 1 268.341 3.454 20 0 CGADMM [O-]c1cc(-c2nc3cc(F)c(F)cc3[nH]2)ccc1F ZINC001251476909 805900356 /nfs/dbraw/zinc/90/03/56/805900356.db2.gz DRVCQXLQDYIHON-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM Cc1cc(Nc2cnc3cccc(C)n23)ccc1C(=O)[O-] ZINC001211655129 814926820 /nfs/dbraw/zinc/92/68/20/814926820.db2.gz OCMCSTFYSDWBAM-UHFFFAOYSA-N -1 1 281.315 3.393 20 0 CGADMM CC1(C)C(C)(C)C1(C)NC(=O)c1cccc([O-])c1F ZINC001158417502 805952883 /nfs/dbraw/zinc/95/28/83/805952883.db2.gz JGMRGQDATOABKX-UHFFFAOYSA-N -1 1 265.328 3.086 20 0 CGADMM [O-]c1cccc(-c2nnc(-c3ccccc3)o2)c1F ZINC001253131484 806178655 /nfs/dbraw/zinc/17/86/55/806178655.db2.gz UOEHCAMXDZXSBE-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM COc1cccc(-c2nnc(-c3cc([O-])cc(F)c3)o2)c1 ZINC001253350145 806207873 /nfs/dbraw/zinc/20/78/73/806207873.db2.gz KNGIRFDMSVLSRU-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM [O-]c1ccc(F)cc1-c1nnc(Cc2ccccc2)o1 ZINC001253581231 806263986 /nfs/dbraw/zinc/26/39/86/806263986.db2.gz XRKIGESZOCGYTH-UHFFFAOYSA-N -1 1 270.263 3.172 20 0 CGADMM [O-]c1cccnc1-c1nnc(-c2cccc(Cl)c2)o1 ZINC001253728772 806286269 /nfs/dbraw/zinc/28/62/69/806286269.db2.gz UTLMCGYIDVCGJP-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM COc1ccc(-c2nnc(-c3cccc(F)c3)o2)c([O-])c1 ZINC001254140370 806351152 /nfs/dbraw/zinc/35/11/52/806351152.db2.gz IWYXXUTUEWOQEW-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(CC)nc2)cc1 ZINC001255028903 806529788 /nfs/dbraw/zinc/52/97/88/806529788.db2.gz NASPLKXWYKFDLK-UHFFFAOYSA-N -1 1 290.388 3.007 20 0 CGADMM CCN(Cc1cc(F)c([O-])c(F)c1)Cc1ccccn1 ZINC000093338979 798963785 /nfs/dbraw/zinc/96/37/85/798963785.db2.gz HWYZSEXNFLHAAN-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM CN(C)c1ccccc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000436686848 799612384 /nfs/dbraw/zinc/61/23/84/799612384.db2.gz GNHZVKILBDAPFU-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM Cc1ccc(C[N@H+](C)[C@H](C)c2ccco2)cc1C(=O)[O-] ZINC000701822970 799895838 /nfs/dbraw/zinc/89/58/38/799895838.db2.gz OAMKJWRTQNTTDB-GFCCVEGCSA-N -1 1 273.332 3.479 20 0 CGADMM Cc1ccc(CN(C)[C@H](C)c2ccco2)cc1C(=O)[O-] ZINC000701822970 799895847 /nfs/dbraw/zinc/89/58/47/799895847.db2.gz OAMKJWRTQNTTDB-GFCCVEGCSA-N -1 1 273.332 3.479 20 0 CGADMM Cc1cc(O)cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000705572375 799951346 /nfs/dbraw/zinc/95/13/46/799951346.db2.gz DQRGJLLPPBKTDZ-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccc(Cl)nc3)n2)c(F)c1 ZINC000809470187 800439724 /nfs/dbraw/zinc/43/97/24/800439724.db2.gz WXUYXLOOGQYWTA-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM CCOC1CC2(C[C@@H]2C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000866868576 800532604 /nfs/dbraw/zinc/53/26/04/800532604.db2.gz LMKAXXURKKJTAG-LOIXOFCESA-N -1 1 295.766 3.189 20 0 CGADMM C[C@@H]1C[C@H]1c1nnc(-c2cccc([O-])c2Cl)o1 ZINC001256751242 806971722 /nfs/dbraw/zinc/97/17/22/806971722.db2.gz YDCNFXGGFKVUJX-HTRCEHHLSA-N -1 1 250.685 3.219 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)C1(C2CC2)CC1 ZINC001119628209 802686910 /nfs/dbraw/zinc/68/69/10/802686910.db2.gz IHLYGAVDIIUGIV-UHFFFAOYSA-N -1 1 296.164 3.283 20 0 CGADMM O=c1nc(NC[C@H]2C[C@H]2C2CCCC2)cc(Cl)[n-]1 ZINC001120916361 802793878 /nfs/dbraw/zinc/79/38/78/802793878.db2.gz VGGNJPXFKFGNRA-ZJUUUORDSA-N -1 1 267.760 3.074 20 0 CGADMM Cn1ccc2ncc(-c3cc(F)c([O-])c(F)c3)cc21 ZINC001244097132 803185267 /nfs/dbraw/zinc/18/52/67/803185267.db2.gz MSXZMCBLHKJCFA-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM Cc1cc(C(F)F)oc1C(=O)[N-]c1c(F)ccnc1F ZINC001129483412 803234623 /nfs/dbraw/zinc/23/46/23/803234623.db2.gz FLGVTFORVLLWTG-UHFFFAOYSA-N -1 1 288.200 3.451 20 0 CGADMM Cn1ccc(Nc2cc(Cl)cc(Cl)c2[O-])n1 ZINC001210352809 814417224 /nfs/dbraw/zinc/41/72/24/814417224.db2.gz JIQUJZFKURLOEY-UHFFFAOYSA-N -1 1 258.108 3.176 20 0 CGADMM COCc1ccnc(-c2ccc(OC(F)(F)F)cc2[O-])c1 ZINC001244464563 803380587 /nfs/dbraw/zinc/38/05/87/803380587.db2.gz SCQUFFNCTVUKGM-UHFFFAOYSA-N -1 1 299.248 3.499 20 0 CGADMM O=c1ccc(-c2ccc(Cl)cc2[O-])nn1CC1CCC1 ZINC001244473351 803388708 /nfs/dbraw/zinc/38/87/08/803388708.db2.gz VYNICOOUUDWFRT-UHFFFAOYSA-N -1 1 290.750 3.069 20 0 CGADMM CCOc1nc(-c2cc(C)c([O-])c(Cl)c2)ncc1OC ZINC001244531663 803423076 /nfs/dbraw/zinc/42/30/76/803423076.db2.gz ONHBDYIEMHKTAN-UHFFFAOYSA-N -1 1 294.738 3.218 20 0 CGADMM CCN(C)c1cc(-c2cc(C)c([O-])c(Cl)c2)ncn1 ZINC001244536891 803423703 /nfs/dbraw/zinc/42/37/03/803423703.db2.gz QGUNLBMHQOQWSJ-UHFFFAOYSA-N -1 1 277.755 3.267 20 0 CGADMM Cc1cc(-c2cccn3ncnc23)cc(Cl)c1[O-] ZINC001244537168 803424279 /nfs/dbraw/zinc/42/42/79/803424279.db2.gz INEJYRGCLRLOMF-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cc3cncnc3cn2)c1F ZINC001244538484 803426507 /nfs/dbraw/zinc/42/65/07/803426507.db2.gz LQTJGKVGHNHRFM-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM Cc1c(-c2c(Cl)ccc([O-])c2F)cnc2nccnc12 ZINC001244540429 803428448 /nfs/dbraw/zinc/42/84/48/803428448.db2.gz VAVMFWZAXTXHJS-UHFFFAOYSA-N -1 1 289.697 3.498 20 0 CGADMM COc1cc(-c2c(Cl)ccc([O-])c2F)c(F)cn1 ZINC001244542795 803429518 /nfs/dbraw/zinc/42/95/18/803429518.db2.gz NJNCAECTYGDSPT-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM CN(C)c1cc(-c2c(Cl)ccc([O-])c2F)ccn1 ZINC001244541183 803429998 /nfs/dbraw/zinc/42/99/98/803429998.db2.gz MJNVSMRBVCPDEK-UHFFFAOYSA-N -1 1 266.703 3.313 20 0 CGADMM Cc1cc(-c2ccc([S@](C)=O)cn2)cc(Cl)c1[O-] ZINC001244551288 803433578 /nfs/dbraw/zinc/43/35/78/803433578.db2.gz WQLCHXSWJSKXGF-SFHVURJKSA-N -1 1 281.764 3.153 20 0 CGADMM Cc1cc(OC(C)C)ccc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001211815874 814943969 /nfs/dbraw/zinc/94/39/69/814943969.db2.gz OBIAISBXIUOTTR-UHFFFAOYSA-N -1 1 297.358 3.409 20 0 CGADMM COc1c([N-]c2nnc(C(C)(C)C)o2)ccc(F)c1F ZINC001211887570 814951241 /nfs/dbraw/zinc/95/12/41/814951241.db2.gz LVQLSJHHFWHSEM-UHFFFAOYSA-N -1 1 283.278 3.398 20 0 CGADMM CCOc1cc(-c2cc(Cl)ccc2[O-])nc(C)n1 ZINC001245050157 803622072 /nfs/dbraw/zinc/62/20/72/803622072.db2.gz PLGIFNBXIDSWAS-UHFFFAOYSA-N -1 1 264.712 3.210 20 0 CGADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001136488387 803645056 /nfs/dbraw/zinc/64/50/56/803645056.db2.gz MLEFWSOINIKVRC-MGPQQGTHSA-N -1 1 290.407 3.225 20 0 CGADMM CCC1(NC(=O)c2ccc3ccc(O)cc3c2[O-])CCC1 ZINC001137229597 803700631 /nfs/dbraw/zinc/70/06/31/803700631.db2.gz QORQGWMSNLOVGX-UHFFFAOYSA-N -1 1 285.343 3.314 20 0 CGADMM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc([O-])cn2)c1 ZINC001137480717 803737092 /nfs/dbraw/zinc/73/70/92/803737092.db2.gz SLZOPBZDRXLXGA-QGZVFWFLSA-N -1 1 296.370 3.381 20 0 CGADMM CC1(NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CCC1 ZINC001137614841 803745336 /nfs/dbraw/zinc/74/53/36/803745336.db2.gz XNHXDFONNRGJBM-UHFFFAOYSA-N -1 1 299.326 3.137 20 0 CGADMM O=c1c(-c2c([O-])cccc2F)cccn1-c1ccccc1 ZINC001245653911 803884435 /nfs/dbraw/zinc/88/44/35/803884435.db2.gz HBBUBEXVZZQOFN-UHFFFAOYSA-N -1 1 281.286 3.349 20 0 CGADMM Cc1c(N)ccnc1-c1c(F)ccc([O-])c1Cl ZINC001245826097 803981168 /nfs/dbraw/zinc/98/11/68/803981168.db2.gz BPEALXLBYPVTLM-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM COC(=O)c1cc(-c2c(F)ccc([O-])c2Cl)cnc1F ZINC001245832459 803986036 /nfs/dbraw/zinc/98/60/36/803986036.db2.gz YJXIWDIWRKVRCK-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM NC(=O)Nc1ccc(-c2c(F)ccc([O-])c2Cl)cc1 ZINC001245832199 803986302 /nfs/dbraw/zinc/98/63/02/803986302.db2.gz JFKJSSZIDJMDFR-UHFFFAOYSA-N -1 1 280.686 3.342 20 0 CGADMM CC(C)(C)Cc1cc(=O)n(-c2ccnc(Cl)c2)[n-]1 ZINC001245932316 804061500 /nfs/dbraw/zinc/06/15/00/804061500.db2.gz LRWICKQRCNTVBI-UHFFFAOYSA-N -1 1 265.744 3.215 20 0 CGADMM C[C@@H](c1ccccc1)n1[n-]c(-c2ccc(N)cc2)cc1=O ZINC001245936237 804067744 /nfs/dbraw/zinc/06/77/44/804067744.db2.gz IFSJTDMPNKINIE-LBPRGKRZSA-N -1 1 279.343 3.447 20 0 CGADMM Oc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1Br ZINC001140551116 804458447 /nfs/dbraw/zinc/45/84/47/804458447.db2.gz UYIQZDUGTBUWAQ-GXSJLCMTSA-N -1 1 282.181 3.139 20 0 CGADMM O=C(CSc1ccccc1)Nc1ccc([O-])c(F)c1F ZINC001140652305 804484439 /nfs/dbraw/zinc/48/44/39/804484439.db2.gz JBAWJKZLSLWYOE-UHFFFAOYSA-N -1 1 295.310 3.401 20 0 CGADMM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001140657510 804486256 /nfs/dbraw/zinc/48/62/56/804486256.db2.gz UGEFIWHLSFDVBL-JTQLQIEISA-N -1 1 291.297 3.488 20 0 CGADMM [O-]c1ccc(CN(Cc2ccco2)C2CC2)c(F)c1F ZINC001140892513 804542491 /nfs/dbraw/zinc/54/24/91/804542491.db2.gz QFTCESKMUNPVOK-UHFFFAOYSA-N -1 1 279.286 3.428 20 0 CGADMM CCC[C@H]1CCCC[C@H]1CNC(=O)c1cncc([O-])c1 ZINC001142234078 804705462 /nfs/dbraw/zinc/70/54/62/804705462.db2.gz PUFMTKLXMJUTAP-STQMWFEESA-N -1 1 276.380 3.124 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2cccc3ccoc32)no1 ZINC001212480836 815034588 /nfs/dbraw/zinc/03/45/88/815034588.db2.gz LNNZHPGUOGVTKS-UHFFFAOYSA-N -1 1 279.255 3.250 20 0 CGADMM O=C(CC1=CCCCC1)Nc1cc(F)cc(F)c1[O-] ZINC001142542867 804736293 /nfs/dbraw/zinc/73/62/93/804736293.db2.gz WDTPXBVCAFBIRS-UHFFFAOYSA-N -1 1 267.275 3.499 20 0 CGADMM CN(Cc1ccncc1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142647480 804747797 /nfs/dbraw/zinc/74/77/97/804747797.db2.gz XYSPXJMLFBGIHV-UHFFFAOYSA-N -1 1 290.750 3.065 20 0 CGADMM CC[C@H](NC(=O)c1ncc(C)cc1[O-])C1CCCCC1 ZINC001142924228 804785215 /nfs/dbraw/zinc/78/52/15/804785215.db2.gz DNFGPMPGTKVOQN-ZDUSSCGKSA-N -1 1 276.380 3.184 20 0 CGADMM CC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])[C@H]1CCCCO1 ZINC001144101047 804935867 /nfs/dbraw/zinc/93/58/67/804935867.db2.gz MESTZKBXPNNKFS-TZMCWYRMSA-N -1 1 297.782 3.123 20 0 CGADMM Cc1cnc(C(=O)N[C@H](c2ccccc2)C2CCC2)c([O-])c1 ZINC001144621986 805013932 /nfs/dbraw/zinc/01/39/32/805013932.db2.gz BLDQHDMNCRHOID-MRXNPFEDSA-N -1 1 296.370 3.367 20 0 CGADMM C[C@@H]1CN(Cc2cc(F)c([O-])cc2F)CCC1(F)F ZINC001144647177 805023651 /nfs/dbraw/zinc/02/36/51/805023651.db2.gz BNWLUSYYMSVEMM-MRVPVSSYSA-N -1 1 277.261 3.148 20 0 CGADMM CCN(Cc1cccnc1)Cc1cc(F)c([O-])cc1F ZINC001144666520 805027368 /nfs/dbraw/zinc/02/73/68/805027368.db2.gz MBWJUVHCFWVCLJ-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM C[C@@H]1CCCC[C@H]1CCNC(=O)c1cc(F)ccc1[O-] ZINC001146709329 805083268 /nfs/dbraw/zinc/08/32/68/805083268.db2.gz JVXRBOFGHYCWMQ-NEPJUHHUSA-N -1 1 279.355 3.478 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@H](CC(C)C)C2)c1 ZINC001148547245 805194043 /nfs/dbraw/zinc/19/40/43/805194043.db2.gz ITDULIBVXAPDQW-CYBMUJFWSA-N -1 1 289.375 3.021 20 0 CGADMM CC1(C)CCN(Cc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001249773429 805239713 /nfs/dbraw/zinc/23/97/13/805239713.db2.gz JFPOQVKEMGBFJY-UHFFFAOYSA-N -1 1 283.318 3.285 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cnc2ccsc2c1 ZINC001151772815 805311600 /nfs/dbraw/zinc/31/16/00/805311600.db2.gz VMGLTMNFPJOGQN-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM Cn1nc(C2CC2)cc1Nc1cc([O-])c(F)c(F)c1F ZINC001249958148 805324848 /nfs/dbraw/zinc/32/48/48/805324848.db2.gz JANGNAAUDMJANV-UHFFFAOYSA-N -1 1 283.253 3.164 20 0 CGADMM COc1ccc(C)nc1Nc1cc([O-])c(F)c(F)c1F ZINC001249960328 805327580 /nfs/dbraw/zinc/32/75/80/805327580.db2.gz BRULSQUNHOGYIT-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM Cc1ccc(CO)cc1Nc1cc([O-])c(F)c(F)c1F ZINC001249961717 805329100 /nfs/dbraw/zinc/32/91/00/805329100.db2.gz BUOKGAQQKSFBQL-UHFFFAOYSA-N -1 1 283.249 3.354 20 0 CGADMM CC(C)c1nccnc1Nc1cc([O-])c(F)c(F)c1F ZINC001249962710 805330069 /nfs/dbraw/zinc/33/00/69/805330069.db2.gz MQRWCUSIOPRGKG-UHFFFAOYSA-N -1 1 283.253 3.467 20 0 CGADMM [O-]c1cc(Nc2cccc(F)c2CO)c(F)c(F)c1F ZINC001249964582 805333241 /nfs/dbraw/zinc/33/32/41/805333241.db2.gz HEXCQUJRDUPPEX-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM Cc1cnc(Nc2cc(Cl)c([O-])cc2F)c(C)n1 ZINC001250019809 805369769 /nfs/dbraw/zinc/36/97/69/805369769.db2.gz GSPGFXDSABMJGK-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(Cl)nn2)cc1Cl ZINC001250020725 805371659 /nfs/dbraw/zinc/37/16/59/805371659.db2.gz PHKYHLFTKAGHKE-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM Cn1ncc(Cl)c1Nc1cc(Cl)c([O-])cc1F ZINC001250020674 805372112 /nfs/dbraw/zinc/37/21/12/805372112.db2.gz YUVVIJFJCUXXRA-UHFFFAOYSA-N -1 1 276.098 3.315 20 0 CGADMM Nc1ccc2c(cnn2-c2cc(Cl)c([O-])cc2F)c1 ZINC001250022646 805373703 /nfs/dbraw/zinc/37/37/03/805373703.db2.gz QSANRAQDFQQMDU-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM [O-]c1ccc(Cc2cc(F)cc3c2OCOC3)c(F)c1F ZINC001250206468 805490170 /nfs/dbraw/zinc/49/01/70/805490170.db2.gz SRJNEBCYEJSXIL-UHFFFAOYSA-N -1 1 296.244 3.267 20 0 CGADMM O=C(OCCc1cccc([O-])c1Cl)c1ccccc1 ZINC001250213352 805494369 /nfs/dbraw/zinc/49/43/69/805494369.db2.gz FEHRVCRGDZPNBK-UHFFFAOYSA-N -1 1 276.719 3.445 20 0 CGADMM COc1nc(C)cnc1Nc1c(F)ccc([O-])c1Cl ZINC001250229852 805506246 /nfs/dbraw/zinc/50/62/46/805506246.db2.gz PPGSFYAAJIHNRY-UHFFFAOYSA-N -1 1 283.690 3.035 20 0 CGADMM COc1cccc(Cc2c(F)cc([O-])cc2F)c1 ZINC001250264913 805532313 /nfs/dbraw/zinc/53/23/13/805532313.db2.gz LGPRCUXHLAHKQR-UHFFFAOYSA-N -1 1 250.244 3.270 20 0 CGADMM COc1cccc(Cc2cc(F)c([O-])c(F)c2)c1 ZINC001250265847 805534067 /nfs/dbraw/zinc/53/40/67/805534067.db2.gz NVDGKRQRYAXRNO-UHFFFAOYSA-N -1 1 250.244 3.270 20 0 CGADMM O=C(Cc1cc(F)c([O-])c(F)c1)c1cccs1 ZINC001250306635 805556714 /nfs/dbraw/zinc/55/67/14/805556714.db2.gz FNRAVZGGBZCNTO-UHFFFAOYSA-N -1 1 254.257 3.157 20 0 CGADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cc(C)cc(O)c2)c1 ZINC001259524575 807681146 /nfs/dbraw/zinc/68/11/46/807681146.db2.gz XVYOMZAGJNQWOW-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM COc1cc(Cl)ccc1[N-]S(=O)(=O)C1CCCC1 ZINC001259800216 807686203 /nfs/dbraw/zinc/68/62/03/807686203.db2.gz DFQQWJLBOHJHPG-UHFFFAOYSA-N -1 1 289.784 3.033 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1cccc(F)c1OC(C)C ZINC001260744084 807704475 /nfs/dbraw/zinc/70/44/75/807704475.db2.gz UULXKSSFXZUTKI-SNVBAGLBSA-N -1 1 289.372 3.153 20 0 CGADMM CC/C(C)=C\C(=O)Nc1ccc(Br)c([O-])c1 ZINC001261263693 807726928 /nfs/dbraw/zinc/72/69/28/807726928.db2.gz PUYSKBJCNFBYOE-VURMDHGXSA-N -1 1 284.153 3.450 20 0 CGADMM Cc1cc(Cl)cc(C)c1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170231446 807798219 /nfs/dbraw/zinc/79/82/19/807798219.db2.gz AUSCFDPOIJNUGP-UHFFFAOYSA-N -1 1 289.726 3.072 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1ccc(Cl)nc1F ZINC001262638561 807883786 /nfs/dbraw/zinc/88/37/86/807883786.db2.gz BLTCMCPJLZFCLK-UHFFFAOYSA-N -1 1 283.690 3.238 20 0 CGADMM Cc1cc(F)c(CC(=O)Nc2cccc(F)c2[O-])cc1F ZINC001171638573 808110689 /nfs/dbraw/zinc/11/06/89/808110689.db2.gz ZCYFVNYBHXCKDG-UHFFFAOYSA-N -1 1 295.260 3.299 20 0 CGADMM C[C@H]1Cc2cc(C(=O)Nc3cccc(F)c3[O-])ccc2O1 ZINC001171638566 808111560 /nfs/dbraw/zinc/11/15/60/808111560.db2.gz YXFAZJMHLNEBAT-VIFPVBQESA-N -1 1 287.290 3.107 20 0 CGADMM CCCCCC[C@@H](CCCC)[NH2+]CCP(=O)([O-])[O-] ZINC001172518032 808368944 /nfs/dbraw/zinc/36/89/44/808368944.db2.gz WEZBWJCLWKYWAC-CYBMUJFWSA-N -1 1 279.361 3.283 20 0 CGADMM COC(=O)Cc1ccccc1Nc1cc(F)c([O-])cc1F ZINC001213061054 815215587 /nfs/dbraw/zinc/21/55/87/815215587.db2.gz JTOZUHTUFMCYMI-UHFFFAOYSA-N -1 1 293.269 3.130 20 0 CGADMM COc1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001173824563 808691473 /nfs/dbraw/zinc/69/14/73/808691473.db2.gz JLLXDBJRVBSFFL-UHFFFAOYSA-N -1 1 257.249 3.082 20 0 CGADMM COc1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001173826068 808692400 /nfs/dbraw/zinc/69/24/00/808692400.db2.gz JDEFZXVKSNJSJQ-UHFFFAOYSA-N -1 1 250.685 3.193 20 0 CGADMM COc1ccc(Nc2c([O-])cc(F)cc2F)c(OC)c1 ZINC001173892195 808745827 /nfs/dbraw/zinc/74/58/27/808745827.db2.gz HEVXLNMMRSEGCS-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM COc1ccc(OC)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001173920219 808760371 /nfs/dbraw/zinc/76/03/71/808760371.db2.gz BVCPAFDTPGSCGU-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM Cc1ccncc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001174118965 808876633 /nfs/dbraw/zinc/87/66/33/808876633.db2.gz BRBPBPADDGOQTA-UHFFFAOYSA-N -1 1 266.304 3.025 20 0 CGADMM CCOc1ccc(F)c(Nc2ncc(F)cc2[O-])c1F ZINC001175038197 809248248 /nfs/dbraw/zinc/24/82/48/809248248.db2.gz FBFKOJODTGYWFY-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM Cn1cc2cccc(Nc3cc(F)c([O-])cc3F)c2n1 ZINC001175462524 809414335 /nfs/dbraw/zinc/41/43/35/809414335.db2.gz JTWNIKWTIKHAOR-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM C[S@](=O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001175478875 809422615 /nfs/dbraw/zinc/42/26/15/809422615.db2.gz KVQFTYHYPQSZBE-IBGZPJMESA-N -1 1 283.299 3.151 20 0 CGADMM C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(F)c([O-])c1 ZINC001293464131 809448843 /nfs/dbraw/zinc/44/88/43/809448843.db2.gz VWWIIFKRNKLOFF-NEPJUHHUSA-N -1 1 279.355 3.478 20 0 CGADMM O=C(Nc1cccc2ccncc21)c1cccc([O-])c1F ZINC001294654075 809473904 /nfs/dbraw/zinc/47/39/04/809473904.db2.gz CKZPPZASWHVIRX-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM Cn1cc2ccc(Nc3c([O-])cc(F)cc3F)cc2n1 ZINC001175614891 809474556 /nfs/dbraw/zinc/47/45/56/809474556.db2.gz CPFVQNYNDATXNN-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc([O-])cn1 ZINC001298514580 809533553 /nfs/dbraw/zinc/53/35/53/809533553.db2.gz YRQYPIZVYVZJMV-GOEBONIOSA-N -1 1 296.370 3.101 20 0 CGADMM Cc1ncccc1/C=C/C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001299581305 809552326 /nfs/dbraw/zinc/55/23/26/809552326.db2.gz ORQMIABLYGYXQB-SNAWJCMRSA-N -1 1 290.269 3.026 20 0 CGADMM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2ccc([O-])cn2)C1 ZINC001299766097 809554165 /nfs/dbraw/zinc/55/41/65/809554165.db2.gz QGYQFCGBLVJPFF-MRXNPFEDSA-N -1 1 296.370 3.401 20 0 CGADMM O=C(Cc1cccc2cnccc21)Nc1c([O-])cccc1F ZINC001300489496 809569506 /nfs/dbraw/zinc/56/95/06/809569506.db2.gz VTCDXSACVJNURN-UHFFFAOYSA-N -1 1 296.301 3.261 20 0 CGADMM CSc1cc(C(=O)Nc2c([O-])cccc2F)co1 ZINC001300487973 809569704 /nfs/dbraw/zinc/56/97/04/809569704.db2.gz HLRZCGQDCQLRIU-UHFFFAOYSA-N -1 1 267.281 3.099 20 0 CGADMM Cc1cncc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1C ZINC001213536858 815302345 /nfs/dbraw/zinc/30/23/45/815302345.db2.gz QKXCHOGYYZYDAU-UHFFFAOYSA-N -1 1 280.331 3.333 20 0 CGADMM CC(C)c1nnc([N-]c2cc(O)cc(Cl)c2)o1 ZINC001176620833 809732654 /nfs/dbraw/zinc/73/26/54/809732654.db2.gz OLBNHHZEGPSXKU-UHFFFAOYSA-N -1 1 253.689 3.296 20 0 CGADMM Cc1ccnc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176662792 809737146 /nfs/dbraw/zinc/73/71/46/809737146.db2.gz XPDTVEWVIPSUPH-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM Cn1cc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2n1 ZINC001176669808 809738056 /nfs/dbraw/zinc/73/80/56/809738056.db2.gz KVXUTJJZEGESBV-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM Nc1cc2c(ccn2-c2c(F)cc(F)c([O-])c2F)c(F)c1 ZINC001176670840 809740237 /nfs/dbraw/zinc/74/02/37/809740237.db2.gz NCOLSQLQIMOJAS-UHFFFAOYSA-N -1 1 296.223 3.475 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1ccc(F)s1 ZINC001176994688 809773454 /nfs/dbraw/zinc/77/34/54/809773454.db2.gz WLYCWYFDJHTQBH-UHFFFAOYSA-N -1 1 285.727 3.176 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1conc1C1CC1 ZINC001179659803 809935524 /nfs/dbraw/zinc/93/55/24/809935524.db2.gz FHTYQDDSBGPCNI-UHFFFAOYSA-N -1 1 296.685 3.302 20 0 CGADMM O=C(Nc1cccnc1C1CC1)c1ccc(F)c([O-])c1 ZINC001180185166 809982403 /nfs/dbraw/zinc/98/24/03/809982403.db2.gz XBVHIGYOEYISSB-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM FC(F)(F)Cc1ccc([N-]c2nonc2C2CC2)cn1 ZINC001213911184 815345644 /nfs/dbraw/zinc/34/56/44/815345644.db2.gz FXZUKBOZFOHVIL-UHFFFAOYSA-N -1 1 284.241 3.190 20 0 CGADMM O=C(NCCc1ccccc1)Nc1ccc([O-])c(F)c1F ZINC001184940873 810223959 /nfs/dbraw/zinc/22/39/59/810223959.db2.gz UDCTZHVGLROSCY-UHFFFAOYSA-N -1 1 292.285 3.035 20 0 CGADMM O=C(NCCc1ccccc1)Nc1cc(F)c(F)cc1[O-] ZINC001184941109 810224722 /nfs/dbraw/zinc/22/47/22/810224722.db2.gz LWZYEMWFUVSZSY-UHFFFAOYSA-N -1 1 292.285 3.035 20 0 CGADMM Cc1ccc(CNC(=O)c2ccc([O-])c(F)c2)c(F)c1F ZINC001186237115 810322862 /nfs/dbraw/zinc/32/28/62/810322862.db2.gz PTAHISILSNPELA-UHFFFAOYSA-N -1 1 295.260 3.048 20 0 CGADMM O=C(Nc1cnccc1C1CC1)c1ccc([O-])cc1F ZINC001186318637 810327473 /nfs/dbraw/zinc/32/74/73/810327473.db2.gz NTNBFZSHNFYQOC-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM O=C(Nc1ccccc1-c1cc[nH]n1)c1ccc([O-])cc1F ZINC001186328434 810328699 /nfs/dbraw/zinc/32/86/99/810328699.db2.gz BORQVHWBZAKJJJ-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM CC(=O)c1c(F)cccc1NC(=O)c1c(C)cccc1[O-] ZINC001188654429 810500631 /nfs/dbraw/zinc/50/06/31/810500631.db2.gz ALZCWKADGOQSGJ-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM O=S(=O)(CC1CC1)[N-]c1ccc2ccc(Cl)cc2n1 ZINC001188930043 810524431 /nfs/dbraw/zinc/52/44/31/810524431.db2.gz WLRCULGHXGSNAV-UHFFFAOYSA-N -1 1 296.779 3.040 20 0 CGADMM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190847107 810652726 /nfs/dbraw/zinc/65/27/26/810652726.db2.gz UXJQOPJAAOIDSV-GFCCVEGCSA-N -1 1 290.388 3.396 20 0 CGADMM Cc1ccc(O)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001214225561 815388053 /nfs/dbraw/zinc/38/80/53/815388053.db2.gz SVNKPJINRHLOHD-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM O=C(Nc1ccccn1)Nc1cc([O-])c(Cl)cc1F ZINC001191333457 810701893 /nfs/dbraw/zinc/70/18/93/810701893.db2.gz QFEJMQMOUFPMLM-UHFFFAOYSA-N -1 1 281.674 3.224 20 0 CGADMM CCN(CC)C(=O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191487190 810719469 /nfs/dbraw/zinc/71/94/69/810719469.db2.gz BCEVIERVDHAKSO-UHFFFAOYSA-N -1 1 297.354 3.105 20 0 CGADMM O=C(Nc1cnccc1C1CC1)c1c(F)ccc([O-])c1F ZINC001192523644 810803541 /nfs/dbraw/zinc/80/35/41/810803541.db2.gz FNQODQZIKQTMPD-UHFFFAOYSA-N -1 1 290.269 3.195 20 0 CGADMM [O-]c1c(F)cc(Nc2cccc(F)n2)cc1Cl ZINC001214480656 815415290 /nfs/dbraw/zinc/41/52/90/815415290.db2.gz XBUFHYPMMOXGPL-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM Cc1cc(O)cnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214480228 815415358 /nfs/dbraw/zinc/41/53/58/815415358.db2.gz PTIRODPNXQNVHS-UHFFFAOYSA-N -1 1 268.675 3.337 20 0 CGADMM [O-]c1c(F)cc(Nc2ccc(CO)cc2)cc1Cl ZINC001214488343 815416734 /nfs/dbraw/zinc/41/67/34/815416734.db2.gz CVVGVOYIJICYQC-UHFFFAOYSA-N -1 1 267.687 3.421 20 0 CGADMM COc1ccc(OC(=O)Nc2cc(F)c(F)cc2[O-])cc1 ZINC001194534824 811087277 /nfs/dbraw/zinc/08/72/77/811087277.db2.gz KQCLNLYXMNLPFG-UHFFFAOYSA-N -1 1 295.241 3.290 20 0 CGADMM CCOc1ccc(C)cc1NC(=O)c1nc(C)ccc1[O-] ZINC001195325379 811242353 /nfs/dbraw/zinc/24/23/53/811242353.db2.gz BXKLCZWTVNQYFU-UHFFFAOYSA-N -1 1 286.331 3.055 20 0 CGADMM Cc1coc(C(=O)[N-]c2cc(Cl)cc3ncoc32)n1 ZINC001195765443 811289790 /nfs/dbraw/zinc/28/97/90/811289790.db2.gz LQQZRYWUJWNVJC-UHFFFAOYSA-N -1 1 277.667 3.030 20 0 CGADMM [O-]c1cc(Nc2cncc(O)c2)c(F)cc1Cl ZINC001201639554 811926717 /nfs/dbraw/zinc/92/67/17/811926717.db2.gz JXMVEIQEOOUHDT-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM COc1ccccc1NC(=O)Nc1ccc([O-])c(F)c1F ZINC001202125403 812020336 /nfs/dbraw/zinc/02/03/36/812020336.db2.gz XYZWYDLRIZEHER-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM O=C(Nc1cccc(F)c1)Nc1ccc([O-])c(F)c1F ZINC001202229436 812044448 /nfs/dbraw/zinc/04/44/48/812044448.db2.gz RVFGNYHLJFNJLI-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM COc1cccc(NC(=O)Nc2cc(F)c(F)cc2[O-])c1 ZINC001202277932 812055010 /nfs/dbraw/zinc/05/50/10/812055010.db2.gz KAQQFHUVHWUXDG-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM Cc1cccc(NC(=O)Nc2cccc(F)c2[O-])c1 ZINC001202315723 812063090 /nfs/dbraw/zinc/06/30/90/812063090.db2.gz JIWPRJKCMFNHFP-UHFFFAOYSA-N -1 1 260.268 3.484 20 0 CGADMM Cc1ccc(NC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC001202432166 812090455 /nfs/dbraw/zinc/09/04/55/812090455.db2.gz ZYGCWSBTTZSKLI-UHFFFAOYSA-N -1 1 260.268 3.484 20 0 CGADMM CC(C)(O)C=CNc1ccc(Cl)c(Cl)c1[O-] ZINC001203224994 812271272 /nfs/dbraw/zinc/27/12/72/812271272.db2.gz VVOAURYEDXAKBN-AATRIKPKSA-N -1 1 262.136 3.396 20 0 CGADMM O=c1[nH]cccc1Nc1cc([O-])c(Cl)cc1F ZINC001206457809 813326014 /nfs/dbraw/zinc/32/60/14/813326014.db2.gz XBLCOUBGWHPMDM-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)c([O-])cc2F)cc1F ZINC001206775512 813434675 /nfs/dbraw/zinc/43/46/75/813434675.db2.gz BJQAWPBWYHTFOO-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM CO[C@@H](C)c1cccc(Nc2cc(=O)[n-]c(SC)n2)c1 ZINC001209947180 814209304 /nfs/dbraw/zinc/20/93/04/814209304.db2.gz LWVCFEVVFSNKDW-VIFPVBQESA-N -1 1 291.376 3.355 20 0 CGADMM CSc1nc(NC2=CCC(F)(F)CC2)cc(=O)[n-]1 ZINC001210028865 814252462 /nfs/dbraw/zinc/25/24/62/814252462.db2.gz JAKQZAFRCCFRQT-UHFFFAOYSA-N -1 1 273.308 3.019 20 0 CGADMM CSc1nc(Nc2ccc(F)c(F)c2C)cc(=O)[n-]1 ZINC001210129977 814303896 /nfs/dbraw/zinc/30/38/96/814303896.db2.gz GYAVTUPHCITOOZ-UHFFFAOYSA-N -1 1 283.303 3.234 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cccc(F)c1O ZINC001210197576 814333748 /nfs/dbraw/zinc/33/37/48/814333748.db2.gz VDKFZBZKSBCRSJ-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cc(C)oc2C)c1 ZINC001210281289 814378440 /nfs/dbraw/zinc/37/84/40/814378440.db2.gz WYHHHVPTZCCQDO-UHFFFAOYSA-N -1 1 295.360 3.139 20 0 CGADMM COc1ncc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1C ZINC001210317833 814401853 /nfs/dbraw/zinc/40/18/53/814401853.db2.gz IPAFJCTZFXDPSA-UHFFFAOYSA-N -1 1 296.330 3.034 20 0 CGADMM [O-]c1cc(Nc2cccc3c2OCCO3)cc(F)c1F ZINC001210372792 814429000 /nfs/dbraw/zinc/42/90/00/814429000.db2.gz OBKKPPWCQXMNOE-UHFFFAOYSA-N -1 1 279.242 3.185 20 0 CGADMM [O-]c1cccc(-c2cnc3ncccc3n2)c1Cl ZINC001242798374 823135795 /nfs/dbraw/zinc/13/57/95/823135795.db2.gz UQLZAAOWTGNTTI-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM COC(=O)c1cnc(-c2cccc([O-])c2Cl)c(C)c1 ZINC001242798327 823135799 /nfs/dbraw/zinc/13/57/99/823135799.db2.gz SCJWOACQMGCTDB-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CSc1nc(Nc2cccc(O)c2Cl)cc(=O)[n-]1 ZINC001210851592 814650996 /nfs/dbraw/zinc/65/09/96/814650996.db2.gz FEAHBAVIAMFUAB-UHFFFAOYSA-N -1 1 283.740 3.007 20 0 CGADMM CCOC(=O)c1cccnc1-c1cccc([O-])c1Cl ZINC001242799062 823135882 /nfs/dbraw/zinc/13/58/82/823135882.db2.gz RLZIOAFNBDHITO-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM Cc1cccc2ncc(Nc3ccccc3C(=O)[O-])n21 ZINC001210965278 814693355 /nfs/dbraw/zinc/69/33/55/814693355.db2.gz LGHHCIVNRZSRMY-UHFFFAOYSA-N -1 1 267.288 3.085 20 0 CGADMM COC(=O)c1cccc(-c2cccc([O-])c2Cl)c1 ZINC001242799657 823136341 /nfs/dbraw/zinc/13/63/41/823136341.db2.gz WUWFFQDREHIIAD-UHFFFAOYSA-N -1 1 262.692 3.499 20 0 CGADMM O=C1NCc2ccc(-c3cccc([O-])c3Cl)cc2N1 ZINC001242800819 823137080 /nfs/dbraw/zinc/13/70/80/823137080.db2.gz PIWRATRUIBRKBN-UHFFFAOYSA-N -1 1 274.707 3.348 20 0 CGADMM O=c1cc(-c2cccc([O-])c2Cl)cnn1CC1CCC1 ZINC001242802290 823137822 /nfs/dbraw/zinc/13/78/22/823137822.db2.gz VLANWBMMMONXMT-UHFFFAOYSA-N -1 1 290.750 3.069 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3nccnc3c2)cc1F ZINC001211339047 814881493 /nfs/dbraw/zinc/88/14/93/814881493.db2.gz KOVUFUGFXSSNMW-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(-c3nnco3)cc2)cc1F ZINC001211349878 814883510 /nfs/dbraw/zinc/88/35/10/814883510.db2.gz KMJIYAHQEYDWDY-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CC(C)n1ccc(-c2cc(F)c([O-])cc2F)cc1=O ZINC001211351847 814884719 /nfs/dbraw/zinc/88/47/19/814884719.db2.gz GKWIBEDMRHXSMF-UHFFFAOYSA-N -1 1 265.259 3.080 20 0 CGADMM CCOCc1cncc(Nc2c([O-])cc(F)cc2F)c1 ZINC001215788241 815591291 /nfs/dbraw/zinc/59/12/91/815591291.db2.gz BRHIBFGMJKBOSG-UHFFFAOYSA-N -1 1 280.274 3.346 20 0 CGADMM Cc1c(O)cccc1[N-]c1nnc(-c2ccco2)o1 ZINC001216317078 815779078 /nfs/dbraw/zinc/77/90/78/815779078.db2.gz HBUFJPJSLFQEHN-UHFFFAOYSA-N -1 1 257.249 3.087 20 0 CGADMM O=C1CC[C@H](c2ccc(-c3cc(F)c([O-])cc3F)cc2)N1 ZINC001222083321 816343801 /nfs/dbraw/zinc/34/38/01/816343801.db2.gz ZPWZNUQSXZMMFB-CQSZACIVSA-N -1 1 289.281 3.289 20 0 CGADMM CC1(C)[C@H]2CC[C@]1(C)[C@H](OCCCC[P@](=O)([O-])O)C2 ZINC001225018836 816934006 /nfs/dbraw/zinc/93/40/06/816934006.db2.gz IYEJNHRBFOGAKX-OUCADQQQSA-N -1 1 290.340 3.176 20 0 CGADMM Cc1cccc([C@H](C)OCCCC[P@](=O)([O-])O)c1 ZINC001225019562 816934664 /nfs/dbraw/zinc/93/46/64/816934664.db2.gz YLDOGHSWDKDEFL-LBPRGKRZSA-N -1 1 272.281 3.031 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)c1cnc2ccccn21 ZINC001225617269 817113658 /nfs/dbraw/zinc/11/36/58/817113658.db2.gz XDQBARBMUMIDRP-LBPRGKRZSA-N -1 1 296.326 3.383 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)c1ncccc1F ZINC001225619259 817114131 /nfs/dbraw/zinc/11/41/31/817114131.db2.gz QHNDWWVAAIYFEK-JTQLQIEISA-N -1 1 275.279 3.269 20 0 CGADMM COC(C)(C)C[C@H](C)Oc1cc([O-])ccc1C(C)=O ZINC001225619121 817114293 /nfs/dbraw/zinc/11/42/93/817114293.db2.gz LSTUYLOQWKBLOG-JTQLQIEISA-N -1 1 266.337 3.177 20 0 CGADMM CCC[C@@H](CC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225679591 817139522 /nfs/dbraw/zinc/13/95/22/817139522.db2.gz QNAJTQZTZPZCLE-LLVKDONJSA-N -1 1 252.310 3.258 20 0 CGADMM C[C@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)c1ccccn1 ZINC001226184909 817292216 /nfs/dbraw/zinc/29/22/16/817292216.db2.gz MOYWKPHMEKHKNC-LBPRGKRZSA-N -1 1 293.326 3.384 20 0 CGADMM CCCOC[C@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226487553 817373531 /nfs/dbraw/zinc/37/35/31/817373531.db2.gz YDKOJTWZVNCQQR-NSHDSACASA-N -1 1 292.331 3.001 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001227168675 817578883 /nfs/dbraw/zinc/57/88/83/817578883.db2.gz KZLIKPVXCJMGSZ-OUCADQQQSA-N -1 1 292.375 3.425 20 0 CGADMM COc1ccc([C@H](C)Oc2[n-]c(=S)ncc2F)cc1 ZINC001227383180 817637320 /nfs/dbraw/zinc/63/73/20/817637320.db2.gz JRYDSXULULNLLI-QMMMGPOBSA-N -1 1 280.324 3.053 20 0 CGADMM Cc1ccc([C@H](C)Oc2[n-]c(=S)ncc2F)cc1 ZINC001227384888 817637409 /nfs/dbraw/zinc/63/74/09/817637409.db2.gz CXQPVFKFCVNIBS-VIFPVBQESA-N -1 1 264.325 3.353 20 0 CGADMM Cc1ccc2c(c1)CC[C@H]2Oc1[n-]c(=O)nc2c1CO[C@H]2C ZINC001227710571 817700472 /nfs/dbraw/zinc/70/04/72/817700472.db2.gz MKTALKIKNZNZLZ-IINYFYTJSA-N -1 1 298.342 3.148 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)nc2cnccc21)c1ccncc1 ZINC001227880908 817742342 /nfs/dbraw/zinc/74/23/42/817742342.db2.gz HENFCBXMRDZHOF-SECBINFHSA-N -1 1 284.344 3.222 20 0 CGADMM Cc1cc(-c2cccn3cncc23)ccc1C(=O)[O-] ZINC001243216076 823296711 /nfs/dbraw/zinc/29/67/11/823296711.db2.gz DNCNGKVJMXWGGI-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM C[C@H](Oc1cnnc(=S)[n-]1)c1cccc2ccccc21 ZINC001228641946 817961173 /nfs/dbraw/zinc/96/11/73/817961173.db2.gz JYNGWOIHXXKUAE-JTQLQIEISA-N -1 1 283.356 3.454 20 0 CGADMM O=C([O-])c1ccc(F)c(CN2CC3(C2)CCCCC3)c1 ZINC001231461632 818103009 /nfs/dbraw/zinc/10/30/09/818103009.db2.gz YOASNLMGZTWQHK-UHFFFAOYSA-N -1 1 277.339 3.290 20 0 CGADMM O=C1CCN(Cc2cccc([O-])c2Cl)[C@H]2CCCC[C@@H]12 ZINC001232784422 818439029 /nfs/dbraw/zinc/43/90/29/818439029.db2.gz MEHGASYCCUZWDG-OLZOCXBDSA-N -1 1 293.794 3.379 20 0 CGADMM [O-]c1cccc(CN2CCCC[C@H](F)C2)c1Cl ZINC001232784401 818439048 /nfs/dbraw/zinc/43/90/48/818439048.db2.gz LTWBGBXYIFAQMX-NSHDSACASA-N -1 1 257.736 3.370 20 0 CGADMM Cc1ccc2c(n1)N(C)CCN(Cc1ccc([S-])cc1)C2 ZINC001233260214 818558623 /nfs/dbraw/zinc/55/86/23/818558623.db2.gz VAHSGOVLXWAVFH-UHFFFAOYSA-N -1 1 299.443 3.131 20 0 CGADMM CN(Cc1cncs1)Cc1ccc([S-])cc1 ZINC001233262747 818560038 /nfs/dbraw/zinc/56/00/38/818560038.db2.gz SWUCLWQHNAMBHQ-UHFFFAOYSA-N -1 1 250.392 3.064 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OCC[C@H](C)OC ZINC001233651366 818669980 /nfs/dbraw/zinc/66/99/80/818669980.db2.gz YWIXFLQOGLLOOA-NSHDSACASA-N -1 1 266.337 3.179 20 0 CGADMM [O-]c1ccc(-c2ccc3c(c2)[C@H](O)CCO3)c(F)c1F ZINC001243342530 823357402 /nfs/dbraw/zinc/35/74/02/823357402.db2.gz HPQBKEUIGODURT-LLVKDONJSA-N -1 1 278.254 3.153 20 0 CGADMM CN1CCOc2cc(-c3ccc([O-])c(F)c3F)ccc21 ZINC001243342932 823359373 /nfs/dbraw/zinc/35/93/73/823359373.db2.gz QHDFQOZFXXZXHW-UHFFFAOYSA-N -1 1 277.270 3.166 20 0 CGADMM Cc1c(Cl)c(-c2cccc3[nH]nnc32)ccc1C(=O)[O-] ZINC001236126661 819331992 /nfs/dbraw/zinc/33/19/92/819331992.db2.gz BEUPZRRRWVKHAM-UHFFFAOYSA-N -1 1 287.706 3.285 20 0 CGADMM Cc1ccc(F)c(-c2ccc3cnccc3n2)c1[O-] ZINC001236394259 819448912 /nfs/dbraw/zinc/44/89/12/819448912.db2.gz VLIBWSHPDITSCX-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM Cc1ccc(-c2cc(F)cc(F)c2[O-])cc1S(C)(=O)=O ZINC001243502249 823421510 /nfs/dbraw/zinc/42/15/10/823421510.db2.gz IWGZJPCRDVKLOM-UHFFFAOYSA-N -1 1 298.310 3.049 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)cc(F)c2[O-])c(C)c1 ZINC001243502316 823421846 /nfs/dbraw/zinc/42/18/46/823421846.db2.gz KJVGTXBMLAZMPE-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM COc1c(F)cccc1-c1cc(F)cc(F)c1[O-] ZINC001243501854 823421852 /nfs/dbraw/zinc/42/18/52/823421852.db2.gz DWDWUZQOUDBJKY-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM C[C@@H]1C(=O)Nc2cc(-c3cc(F)cc(F)c3[O-])ccc21 ZINC001243502967 823421923 /nfs/dbraw/zinc/42/19/23/823421923.db2.gz CNEXXSHGPCNNEQ-ZETCQYMHSA-N -1 1 275.254 3.393 20 0 CGADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(N)c2)c1 ZINC001237602653 819785875 /nfs/dbraw/zinc/78/58/75/819785875.db2.gz CXSJFTWLLVYTJB-UHFFFAOYSA-N -1 1 290.388 3.193 20 0 CGADMM CN(C)c1nc(-c2cccc([O-])c2F)nc2ccccc21 ZINC001243543046 823436607 /nfs/dbraw/zinc/43/66/07/823436607.db2.gz CDUVWFXJOHRTSM-UHFFFAOYSA-N -1 1 283.306 3.208 20 0 CGADMM [O-]c1c(F)cc(CN2C[C@H]3[C@H](CC3(F)F)C2)cc1Cl ZINC001237983292 819902218 /nfs/dbraw/zinc/90/22/18/819902218.db2.gz GETXYNDZXXJASB-BDAKNGLRSA-N -1 1 291.700 3.272 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@@]3(C2)CCCOC3)cc1Cl ZINC001238149123 819942192 /nfs/dbraw/zinc/94/21/92/819942192.db2.gz FZZMXNCWAJPMSZ-OAHLLOKOSA-N -1 1 299.773 3.187 20 0 CGADMM O=C([O-])c1cc(F)ccc1CN1CC[C@H]1c1ccccc1 ZINC001238239820 819965906 /nfs/dbraw/zinc/96/59/06/819965906.db2.gz ZSVIYLQEHGTEED-INIZCTEOSA-N -1 1 285.318 3.471 20 0 CGADMM COC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)nc1C ZINC001243576794 823450973 /nfs/dbraw/zinc/45/09/73/823450973.db2.gz VBZJFYSYORVJHL-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM [O-]c1cc(-c2ccc(OC(F)F)nn2)ccc1Cl ZINC001243579080 823452844 /nfs/dbraw/zinc/45/28/44/823452844.db2.gz NTNRXOMIEILPNT-UHFFFAOYSA-N -1 1 272.638 3.104 20 0 CGADMM CNC(=S)Nc1ccc(-c2ccc(Cl)c([O-])c2)nc1 ZINC001243578646 823452940 /nfs/dbraw/zinc/45/29/40/823452940.db2.gz JXIXFQKXSCBVBD-UHFFFAOYSA-N -1 1 293.779 3.024 20 0 CGADMM O=C1NCc2c(cccc2-c2ccc(Cl)c([O-])c2)N1 ZINC001243582389 823454082 /nfs/dbraw/zinc/45/40/82/823454082.db2.gz RCIVDFXKABUIQX-UHFFFAOYSA-N -1 1 274.707 3.348 20 0 CGADMM CSc1cnc(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243584722 823456109 /nfs/dbraw/zinc/45/61/09/823456109.db2.gz YRQQVELPAHMBPD-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccccc3)ccc2[n-]1 ZINC001239467613 820316988 /nfs/dbraw/zinc/31/69/88/820316988.db2.gz CPCUYRFPXIXANN-UHFFFAOYSA-N -1 1 266.300 3.407 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccccc3)cc2[n-]1 ZINC001239467613 820317000 /nfs/dbraw/zinc/31/70/00/820317000.db2.gz CPCUYRFPXIXANN-UHFFFAOYSA-N -1 1 266.300 3.407 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc(OC)c3)ccc2[n-]1 ZINC001239520537 820367656 /nfs/dbraw/zinc/36/76/56/820367656.db2.gz LJVIDKHMKCVVKQ-UHFFFAOYSA-N -1 1 282.299 3.025 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc(OC)c3)cc2[n-]1 ZINC001239520537 820367667 /nfs/dbraw/zinc/36/76/67/820367667.db2.gz LJVIDKHMKCVVKQ-UHFFFAOYSA-N -1 1 282.299 3.025 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc(F)c3)ccc2[n-]1 ZINC001239535000 820386830 /nfs/dbraw/zinc/38/68/30/820386830.db2.gz FUZFBWGAHGMUOC-UHFFFAOYSA-N -1 1 270.263 3.156 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc(F)c3)cc2[n-]1 ZINC001239535000 820386838 /nfs/dbraw/zinc/38/68/38/820386838.db2.gz FUZFBWGAHGMUOC-UHFFFAOYSA-N -1 1 270.263 3.156 20 0 CGADMM Cc1cc(C)c(-c2ccc([P@@](=O)([O-])O)cc2)c(C)c1 ZINC001239550892 820403256 /nfs/dbraw/zinc/40/32/56/820403256.db2.gz SDLYVJAXJKFTAC-UHFFFAOYSA-N -1 1 276.272 3.082 20 0 CGADMM Cc1cc(C)c(-c2ccc([P@](=O)([O-])O)cc2)c(C)c1 ZINC001239550892 820403259 /nfs/dbraw/zinc/40/32/59/820403259.db2.gz SDLYVJAXJKFTAC-UHFFFAOYSA-N -1 1 276.272 3.082 20 0 CGADMM CCOc1ccc(-c2ccc3[n-]c(C(=O)OC)nc3c2)cc1 ZINC001239563453 820415769 /nfs/dbraw/zinc/41/57/69/820415769.db2.gz GOEDPZYGMSIPGQ-UHFFFAOYSA-N -1 1 296.326 3.415 20 0 CGADMM CCOc1ccc(-c2ccc3nc(C(=O)OC)[n-]c3c2)cc1 ZINC001239563453 820415773 /nfs/dbraw/zinc/41/57/73/820415773.db2.gz GOEDPZYGMSIPGQ-UHFFFAOYSA-N -1 1 296.326 3.415 20 0 CGADMM CN(C)C(=O)Sc1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240696192 821252370 /nfs/dbraw/zinc/25/23/70/821252370.db2.gz GHTBEWFWTBNNQY-UHFFFAOYSA-N -1 1 292.335 3.367 20 0 CGADMM COc1ccc2nc(-c3ccc([O-])c(F)c3)cnc2c1 ZINC001240782614 821321169 /nfs/dbraw/zinc/32/11/69/821321169.db2.gz BYBRNUAJQXQMFR-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM [O-]c1ccc(-c2nccc(-c3ccco3)n2)cc1F ZINC001240782005 821321512 /nfs/dbraw/zinc/32/15/12/821321512.db2.gz OCNGACIPKHOICB-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM Cc1cc(C(F)(F)F)nc(-c2ccc([O-])c(F)c2)n1 ZINC001240783714 821322888 /nfs/dbraw/zinc/32/28/88/821322888.db2.gz WLHQIOGCMLBNHR-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM CN1CCc2c(F)cc(-c3ccc(C(=O)[O-])s3)cc2C1 ZINC001240849424 821370421 /nfs/dbraw/zinc/37/04/21/821370421.db2.gz PXJXEPGNKQSFDN-UHFFFAOYSA-N -1 1 291.347 3.240 20 0 CGADMM O=C1Cc2cc(-c3ccc4ccccc4c3)ccc2C(=O)[N-]1 ZINC001240910820 821408789 /nfs/dbraw/zinc/40/87/89/821408789.db2.gz VZRDZLALUOAPRW-UHFFFAOYSA-N -1 1 287.318 3.319 20 0 CGADMM Cc1ccc(-c2nc3ccccc3c(N(C)C)n2)c([O-])c1 ZINC001241035870 821511789 /nfs/dbraw/zinc/51/17/89/821511789.db2.gz HCZFXKGKJRGYAA-UHFFFAOYSA-N -1 1 279.343 3.377 20 0 CGADMM [O-]c1cc(F)c(-c2cnc(C(F)(F)F)cn2)c(F)c1 ZINC001241117820 821573613 /nfs/dbraw/zinc/57/36/13/821573613.db2.gz ZEHIPMLDKZYNJP-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM [O-]c1cc(F)c(-c2cc(N3CCCC3)ccn2)c(F)c1 ZINC001241119234 821574990 /nfs/dbraw/zinc/57/49/90/821574990.db2.gz ZTAGSMUKLDREBP-UHFFFAOYSA-N -1 1 276.286 3.333 20 0 CGADMM Cn1ccc2ccnc(-c3c(F)cc([O-])cc3F)c21 ZINC001241120323 821575547 /nfs/dbraw/zinc/57/55/47/821575547.db2.gz ZQUNHZYZMATNMD-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(-c3ncccn3)cn2)c(F)c1 ZINC001241120849 821576834 /nfs/dbraw/zinc/57/68/34/821576834.db2.gz ONVAVVDEOWYSJB-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM Cc1c2cc[nH]c2ncc1-c1c(F)cc([O-])cc1F ZINC001241122473 821578171 /nfs/dbraw/zinc/57/81/71/821578171.db2.gz OPDYQZZOHWEWNL-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM COc1cc(-c2c(F)cc([O-])cc2F)ccc1F ZINC001241122510 821578571 /nfs/dbraw/zinc/57/85/71/821578571.db2.gz QSKLLVBPRXQPPL-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM [O-]c1cc(F)c(-c2cc3[nH]cnc3c(F)c2)c(F)c1 ZINC001241121929 821578845 /nfs/dbraw/zinc/57/88/45/821578845.db2.gz TYJYJZUNEYXMHR-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3ccnnc3c2)c(F)c1 ZINC001241122788 821579569 /nfs/dbraw/zinc/57/95/69/821579569.db2.gz LMPATYRYYVADSB-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CC(C)Cc1cc(-c2c(F)ccc([O-])c2F)ncn1 ZINC001241290357 821706617 /nfs/dbraw/zinc/70/66/17/821706617.db2.gz QSAHUNWDBOQNKO-UHFFFAOYSA-N -1 1 264.275 3.326 20 0 CGADMM CCCc1cncnc1-c1c(F)ccc([O-])c1F ZINC001241290752 821708395 /nfs/dbraw/zinc/70/83/95/821708395.db2.gz CPBUAQIZBJGOMP-UHFFFAOYSA-N -1 1 250.248 3.080 20 0 CGADMM Cc1nnc(-c2c(F)ccc([O-])c2F)c(C)c1C ZINC001241291790 821708985 /nfs/dbraw/zinc/70/89/85/821708985.db2.gz XFSTYFADYMLARL-UHFFFAOYSA-N -1 1 250.248 3.053 20 0 CGADMM COc1cc(-c2cc(C(F)(F)F)ccc2[O-])nc(C)n1 ZINC001242131144 822888429 /nfs/dbraw/zinc/88/84/29/822888429.db2.gz DLEVASKJUVXFFD-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM Cc1nccc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242132201 822888602 /nfs/dbraw/zinc/88/86/02/822888602.db2.gz ZJKUTRIPQWCOOB-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM Cn1ccc2nc(-c3cc(C(F)(F)F)ccc3[O-])cnc21 ZINC001242139803 822890648 /nfs/dbraw/zinc/89/06/48/822890648.db2.gz HIGSTCPSQHKOHM-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM [O-]c1ccc(-c2ncnc3[nH]cc(F)c32)cc1C(F)(F)F ZINC001242148325 822894734 /nfs/dbraw/zinc/89/47/34/822894734.db2.gz TYCYWMIAWILTHR-UHFFFAOYSA-N -1 1 297.211 3.440 20 0 CGADMM Cn1cnc2cnc(-c3ccc([O-])c(C(F)(F)F)c3)cc21 ZINC001242151857 822895996 /nfs/dbraw/zinc/89/59/96/822895996.db2.gz WDYBRDZTENHTLU-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM [O-]c1ccc(-c2cn3ccnc3cn2)cc1C(F)(F)F ZINC001242158364 822898818 /nfs/dbraw/zinc/89/88/18/822898818.db2.gz VDNMKQUWZCXUFA-UHFFFAOYSA-N -1 1 279.221 3.121 20 0 CGADMM CC(=O)Nc1ccc(-c2ccc(F)cc2[O-])c(F)c1 ZINC001242221742 822917274 /nfs/dbraw/zinc/91/72/74/822917274.db2.gz WVDGFYPBVQFOCM-UHFFFAOYSA-N -1 1 263.243 3.296 20 0 CGADMM COc1cc(F)c(-c2ccc(F)cc2[O-])c(OC)c1 ZINC001242221764 822917364 /nfs/dbraw/zinc/91/73/64/822917364.db2.gz XAGQIJQJFMNQSU-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM COc1ccc2nc(-c3cccc(C)c3[O-])ncc2c1 ZINC001242344962 822957747 /nfs/dbraw/zinc/95/77/47/822957747.db2.gz YCRNFMBHCIDQEA-UHFFFAOYSA-N -1 1 266.300 3.319 20 0 CGADMM COc1nc(-c2cccc(C)c2[O-])nc2ccccc21 ZINC001242344966 822958122 /nfs/dbraw/zinc/95/81/22/822958122.db2.gz YGBPFDOMUMAQEJ-UHFFFAOYSA-N -1 1 266.300 3.319 20 0 CGADMM COc1cc(F)c(-c2cccc(F)c2[O-])cc1F ZINC001242351470 822961303 /nfs/dbraw/zinc/96/13/03/822961303.db2.gz MDHOAJGCILDWTB-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CCOC(=O)Cc1cc(-c2cccc(Cl)c2[O-])ccn1 ZINC001242365647 822968715 /nfs/dbraw/zinc/96/87/15/822968715.db2.gz HOPQTXAXEMPCFM-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM Cc1nc2cc(-c3cccc(Cl)c3[O-])ccn2n1 ZINC001242366964 822969300 /nfs/dbraw/zinc/96/93/00/822969300.db2.gz GIODXAPQHNRLGA-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM Cc1nnc2cc(-c3cccc(Cl)c3[O-])ccn12 ZINC001242366973 822969436 /nfs/dbraw/zinc/96/94/36/822969436.db2.gz UQBKKSCNPGWUTJ-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cnn(C(C)C)c3)cc2[n-]1 ZINC001242437141 822994439 /nfs/dbraw/zinc/99/44/39/822994439.db2.gz JQHNHYOEQNQPBI-UHFFFAOYSA-N -1 1 298.346 3.184 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cnn(C(C)C)c3)ccc2[n-]1 ZINC001242437141 822994441 /nfs/dbraw/zinc/99/44/41/822994441.db2.gz JQHNHYOEQNQPBI-UHFFFAOYSA-N -1 1 298.346 3.184 20 0 CGADMM CC(C)(C)c1coc(CNCCCCCCC(=O)[O-])n1 ZINC001339224411 936360321 /nfs/dbraw/zinc/36/03/21/936360321.db2.gz NAYVPHNNMNSXKS-UHFFFAOYSA-N -1 1 282.384 3.097 20 0 CGADMM CC(C)c1noc([N-][C@H](c2cnn(C)c2)c2ccccc2)n1 ZINC001342211343 936462661 /nfs/dbraw/zinc/46/26/61/936462661.db2.gz DYEQVENBHIZEQD-AWEZNQCLSA-N -1 1 297.362 3.128 20 0 CGADMM O=C([N-]c1ccc(F)c(F)c1F)c1c(F)ccnc1F ZINC001350522696 936993159 /nfs/dbraw/zinc/99/31/59/936993159.db2.gz QGVDARBPTFXVKI-UHFFFAOYSA-N -1 1 288.175 3.029 20 0 CGADMM [O-]c1c(F)cc(NC(=S)NC2CCCCC2)cc1F ZINC000168481439 927348570 /nfs/dbraw/zinc/34/85/70/927348570.db2.gz QSJHPYIJCBUFDT-UHFFFAOYSA-N -1 1 286.347 3.290 20 0 CGADMM CC[C@H](C)Oc1nc2cc(Cl)nc(Cl)c2[n-]1 ZINC001231044283 928077020 /nfs/dbraw/zinc/07/70/20/928077020.db2.gz GWHNUFIJESGTDN-YFKPBYRVSA-N -1 1 260.124 3.442 20 0 CGADMM CC[C@H](C)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231044283 928077013 /nfs/dbraw/zinc/07/70/13/928077013.db2.gz GWHNUFIJESGTDN-YFKPBYRVSA-N -1 1 260.124 3.442 20 0 CGADMM Cc1cc(F)ccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001450894524 928578065 /nfs/dbraw/zinc/57/80/65/928578065.db2.gz HSTBWTDMMYXUOP-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM C[C@H]1CCC[C@@H](C(=O)[N-]Oc2ccc(F)cc2)C1 ZINC001469938199 928809758 /nfs/dbraw/zinc/80/97/58/928809758.db2.gz VPSFJOXFBKECCQ-WDEREUQCSA-N -1 1 251.301 3.062 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCCc2cc(F)ccc21 ZINC001441691108 937339475 /nfs/dbraw/zinc/33/94/75/937339475.db2.gz KFMUQMCJSJRWBX-UHFFFAOYSA-N -1 1 289.281 3.263 20 0 CGADMM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001443161685 937345553 /nfs/dbraw/zinc/34/55/53/937345553.db2.gz LQFIZYWHPYHSOA-OLZOCXBDSA-N -1 1 276.380 3.122 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H]2CCCCC2(C)C)c1 ZINC001445709962 937359178 /nfs/dbraw/zinc/35/91/78/937359178.db2.gz IPFUGOSFHGAPLV-AWEZNQCLSA-N -1 1 289.375 3.212 20 0 CGADMM CCCc1cnc(NC(=O)c2c([O-])cccc2OC)s1 ZINC001446910436 937365532 /nfs/dbraw/zinc/36/55/32/937365532.db2.gz HGWGGBPWPCEJFX-UHFFFAOYSA-N -1 1 292.360 3.062 20 0 CGADMM O=C(Nc1c(O)cccc1Cl)c1cccc([O-])c1F ZINC001450270432 937384356 /nfs/dbraw/zinc/38/43/56/937384356.db2.gz WUVOLKQONAXSBQ-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1ccnnc1 ZINC001453774202 937404388 /nfs/dbraw/zinc/40/43/88/937404388.db2.gz ZDDCIAAWIPLFOV-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM CSc1ccc(Cl)c(NC(=O)c2n[nH]c(C)c2[O-])c1 ZINC001453319855 937402047 /nfs/dbraw/zinc/40/20/47/937402047.db2.gz KOVHMFYFYQPRJO-UHFFFAOYSA-N -1 1 297.767 3.051 20 0 CGADMM Cc1ccc(O)cc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001454714165 937411574 /nfs/dbraw/zinc/41/15/74/937411574.db2.gz XEAIMKUDHYCQHH-UHFFFAOYSA-N -1 1 291.734 3.241 20 0 CGADMM O=C(NCCC1CCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001455418532 937417673 /nfs/dbraw/zinc/41/76/73/937417673.db2.gz YAWJNUDBOBBZMP-UHFFFAOYSA-N -1 1 287.281 3.331 20 0 CGADMM O=C(Nc1c[n-][nH]c1=O)c1cc2cccc(Cl)c2s1 ZINC001457824692 937446709 /nfs/dbraw/zinc/44/67/09/937446709.db2.gz WRKZIFHWLCIBDD-UHFFFAOYSA-N -1 1 293.735 3.236 20 0 CGADMM Cc1ccccc1OCCSc1nc(C)c(C)c(=O)[n-]1 ZINC001459015755 937478117 /nfs/dbraw/zinc/47/81/17/937478117.db2.gz LHQHVVJHUKXJNQ-UHFFFAOYSA-N -1 1 290.388 3.279 20 0 CGADMM Cc1ncc(CSc2nc(-c3ccccc3)cc(=O)[n-]2)o1 ZINC001459282218 937484005 /nfs/dbraw/zinc/48/40/05/937484005.db2.gz KWKLOHNKUSHJQY-UHFFFAOYSA-N -1 1 299.355 3.438 20 0 CGADMM C[C@H]1CCCC[C@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229134719 932102632 /nfs/dbraw/zinc/10/26/32/932102632.db2.gz JGESCUTYLUARAS-GXFFZTMASA-N -1 1 274.316 3.456 20 0 CGADMM C[C@@H]1CCC[C@@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229136724 932103513 /nfs/dbraw/zinc/10/35/13/932103513.db2.gz ZARAPDAPMDTRNH-ZYHUDNBSSA-N -1 1 274.316 3.456 20 0 CGADMM COc1cc2ccc(=O)oc2c(O[C@@H]2CC[C@@H](C)C2)c1[O-] ZINC001229218531 932117873 /nfs/dbraw/zinc/11/78/73/932117873.db2.gz NPOXKMJRPPTNRR-MWLCHTKSSA-N -1 1 290.315 3.075 20 0 CGADMM COC(=O)C[C@@H](C)Oc1cc([O-])c(Cl)cc1Cl ZINC001229410590 932148056 /nfs/dbraw/zinc/14/80/56/932148056.db2.gz KSZMSKZLJZQHFL-ZCFIWIBFSA-N -1 1 279.119 3.029 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)c1cn(C)nc1C ZINC001229475534 932158651 /nfs/dbraw/zinc/15/86/51/932158651.db2.gz YMBRTFVFYYNKGA-LLVKDONJSA-N -1 1 288.347 3.167 20 0 CGADMM CC(C)(C)[C@H]1CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC001336865430 932823509 /nfs/dbraw/zinc/82/35/09/932823509.db2.gz XZNQCGPGGYZDFD-GFCCVEGCSA-N -1 1 267.756 3.306 20 0 CGADMM Cc1cnc(F)c(C(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001304281130 932848935 /nfs/dbraw/zinc/84/89/35/932848935.db2.gz AWKCOEXRYJVJFX-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM CO/C(=C/c1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC001306783027 932886339 /nfs/dbraw/zinc/88/63/39/932886339.db2.gz MYQCZJFVPBYZQN-OQLLNIDSSA-N -1 1 287.290 3.157 20 0 CGADMM CC(C)C1(CNC(=O)c2ncc3ccccc3c2[O-])CC1 ZINC001465640571 937702558 /nfs/dbraw/zinc/70/25/58/937702558.db2.gz GPFKBDMBJFUIHE-UHFFFAOYSA-N -1 1 284.359 3.106 20 0 CGADMM Cc1cc(Cl)cc(NC(=O)c2ccc(F)c([O-])c2)c1O ZINC001466545020 937710110 /nfs/dbraw/zinc/71/01/10/937710110.db2.gz VBEYBSCRXKSSCE-UHFFFAOYSA-N -1 1 295.697 3.451 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2ccc([O-])cn2)c2ccccc21 ZINC001467702475 937720716 /nfs/dbraw/zinc/72/07/16/937720716.db2.gz KJONNYGIUQOGSH-AWEZNQCLSA-N -1 1 282.343 3.187 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H](F)c1ccccc1 ZINC001468004164 937723580 /nfs/dbraw/zinc/72/35/80/937723580.db2.gz ZJCWPFPCBKSUOG-LLVKDONJSA-N -1 1 281.233 3.320 20 0 CGADMM CCCCCCC(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC001468576259 937729421 /nfs/dbraw/zinc/72/94/21/937729421.db2.gz FUKIJEPGPLXWPA-UHFFFAOYSA-N -1 1 276.336 3.361 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001320296345 934028079 /nfs/dbraw/zinc/02/80/79/934028079.db2.gz FAECDASRHFJCIZ-AAEUAGOBSA-N -1 1 277.339 3.184 20 0 CGADMM O=C(Nc1cc(-c2ccccc2)[nH]n1)c1cc(F)ccc1[O-] ZINC001469550179 937740482 /nfs/dbraw/zinc/74/04/82/937740482.db2.gz ZLFBMRBSMMDARM-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM CCC(=O)c1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001470124407 937748570 /nfs/dbraw/zinc/74/85/70/937748570.db2.gz WSZKRQPIQKQLDX-UHFFFAOYSA-N -1 1 287.290 3.376 20 0 CGADMM CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC001470188571 937749128 /nfs/dbraw/zinc/74/91/28/937749128.db2.gz JBMXUNDLBWZYFQ-LLVKDONJSA-N -1 1 287.281 3.329 20 0 CGADMM O=C(NC[C@@H]1CCCC1(F)F)c1c([O-])cccc1Cl ZINC001324525346 934519683 /nfs/dbraw/zinc/51/96/83/934519683.db2.gz VWVRLWTVTHKRFJ-QMMMGPOBSA-N -1 1 289.709 3.211 20 0 CGADMM CCn1nc(C(C)C)cc1C(=O)Nc1cccc(F)c1[O-] ZINC001331710976 935404910 /nfs/dbraw/zinc/40/49/10/935404910.db2.gz IQJAZDWZFFGQDS-UHFFFAOYSA-N -1 1 291.326 3.123 20 0 CGADMM CCC[C@@H](C)C[C@H](NCc1cc2cccnc2o1)C(=O)[O-] ZINC001332473029 935472867 /nfs/dbraw/zinc/47/28/67/935472867.db2.gz CNJVXSMSIKYCBJ-RISCZKNCSA-N -1 1 290.363 3.197 20 0 CGADMM CC(C)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001474825765 937880385 /nfs/dbraw/zinc/88/03/85/937880385.db2.gz XUBWRDSUGRUXGQ-UHFFFAOYSA-N -1 1 293.791 3.194 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1ccc(Br)o1 ZINC001514581251 938001998 /nfs/dbraw/zinc/00/19/98/938001998.db2.gz PVRMOLHUNGOBFR-UHFFFAOYSA-N -1 1 299.124 3.406 20 0 CGADMM O=C([N-]c1cnoc1)c1ccc(-c2cccs2)o1 ZINC001520328271 938024720 /nfs/dbraw/zinc/02/47/20/938024720.db2.gz QVANAMGLFNYTGM-UHFFFAOYSA-N -1 1 260.274 3.248 20 0 CGADMM C[C@@H](CN(C)C(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001542815121 938136934 /nfs/dbraw/zinc/13/69/34/938136934.db2.gz AVHAHKMVLXROKF-LBPRGKRZSA-N -1 1 287.334 3.407 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CC[C@@H]1c1cccc(F)c1 ZINC001544765578 938146915 /nfs/dbraw/zinc/14/69/15/938146915.db2.gz DIWKJPJXEHZWMS-CYBMUJFWSA-N -1 1 289.281 3.258 20 0 CGADMM Cc1ccnc(C(=O)N2CC[C@]2(C)C2CCCCC2)c1[O-] ZINC001550414787 938166642 /nfs/dbraw/zinc/16/66/42/938166642.db2.gz ACGJBEKTVXRGGG-QGZVFWFLSA-N -1 1 288.391 3.281 20 0 CGADMM C[C@@H](CC(=O)Nc1cc([O-])c(F)cc1F)n1cccc1 ZINC001556919791 938206512 /nfs/dbraw/zinc/20/65/12/938206512.db2.gz PZMFGJPSIKHADV-VIFPVBQESA-N -1 1 280.274 3.062 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](C)c2ccccc2C)c1 ZINC001557746808 938211637 /nfs/dbraw/zinc/21/16/37/938211637.db2.gz KABILDOYSQUCSN-CYBMUJFWSA-N -1 1 297.354 3.313 20 0 CGADMM Cc1sccc1NC(=O)c1cccc([O-])c1F ZINC001557917981 938212365 /nfs/dbraw/zinc/21/23/65/938212365.db2.gz OCOGESNKQPTWDT-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C1(c2ccccc2F)CC1 ZINC001557956552 938212762 /nfs/dbraw/zinc/21/27/62/938212762.db2.gz NNCBXCRXRGPZMQ-UHFFFAOYSA-N -1 1 289.281 3.341 20 0 CGADMM CC(C)(C)c1ccc(CNC(=O)c2ccc([O-])cn2)s1 ZINC001558242909 938214394 /nfs/dbraw/zinc/21/43/94/938214394.db2.gz MVPVXGOEHFZRGO-UHFFFAOYSA-N -1 1 290.388 3.076 20 0 CGADMM CCc1ccc(C(=O)Nc2cccc(SC)n2)c([O-])c1 ZINC001558978779 938218841 /nfs/dbraw/zinc/21/88/41/938218841.db2.gz KVKKKWFAHILBGP-UHFFFAOYSA-N -1 1 288.372 3.324 20 0 CGADMM C[C@@H]1CN(Cc2ccc([O-])c(F)c2F)c2ccccc2O1 ZINC001560734247 938273035 /nfs/dbraw/zinc/27/30/35/938273035.db2.gz IYTNBQXTWNRPGJ-SNVBAGLBSA-N -1 1 291.297 3.458 20 0 CGADMM C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001563484002 938303430 /nfs/dbraw/zinc/30/34/30/938303430.db2.gz KYGUPFICIFDSJU-GXFFZTMASA-N -1 1 296.798 3.424 20 0 CGADMM O=C([O-])CCc1cccc(NCc2[nH]nc3ccccc32)c1 ZINC001602044262 971129962 /nfs/dbraw/zinc/12/99/62/971129962.db2.gz UPAZIZBFUDUVLS-UHFFFAOYSA-N -1 1 295.342 3.192 20 0 CGADMM CC1=CCCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000382527532 971819893 /nfs/dbraw/zinc/81/98/93/971819893.db2.gz CJHZGIRYGTYDBK-UHFFFAOYSA-N -1 1 265.740 3.190 20 0 CGADMM Cc1cccc([C@@H](NCc2cccc(C)c2F)C(=O)[O-])c1 ZINC001594398026 958792904 /nfs/dbraw/zinc/79/29/04/958792904.db2.gz PEWYVKKTVWGJEY-MRXNPFEDSA-N -1 1 287.334 3.358 20 0 CGADMM C[C@@H](N[C@H](C)c1cccs1)c1ccc(C(=O)[O-])o1 ZINC000235214850 960398091 /nfs/dbraw/zinc/39/80/91/960398091.db2.gz BYNCGSAJYXFJKB-RKDXNWHRSA-N -1 1 265.334 3.451 20 0 CGADMM [O-]c1c(F)cc(-c2ccc(-c3nnco3)cc2)cc1F ZINC001244093699 960417280 /nfs/dbraw/zinc/41/72/80/960417280.db2.gz KUKDEOXXZQTFCZ-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CCC[C@H]1CCCC[C@@H]1NC(=O)c1ncc(C)cc1[O-] ZINC001565580492 960791489 /nfs/dbraw/zinc/79/14/89/960791489.db2.gz YWYFVXPNAXTJJB-STQMWFEESA-N -1 1 276.380 3.184 20 0 CGADMM CC[C@@H](NC(=O)c1cccc([O-])c1F)c1nc(C)cs1 ZINC001565668584 960801974 /nfs/dbraw/zinc/80/19/74/960801974.db2.gz MNBWNTDVQQDXNR-SNVBAGLBSA-N -1 1 294.351 3.177 20 0 CGADMM CC(C)CC1(CNC(=O)c2ccc(F)c([O-])c2)CCC1 ZINC001566408426 960927944 /nfs/dbraw/zinc/92/79/44/960927944.db2.gz XQHRYGOBXRFTAS-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM Cc1cccc(C)c1CNC(=O)c1ccc(F)c([O-])c1 ZINC001566706781 961000552 /nfs/dbraw/zinc/00/05/52/961000552.db2.gz MEUNUXOCAAEKGY-UHFFFAOYSA-N -1 1 273.307 3.078 20 0 CGADMM C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C1CCC1 ZINC001567290244 961265853 /nfs/dbraw/zinc/26/58/53/961265853.db2.gz MZMLIFQDOSCDSH-SNVBAGLBSA-N -1 1 285.343 3.169 20 0 CGADMM Cc1cnc(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)c([O-])c1 ZINC001567845042 961443083 /nfs/dbraw/zinc/44/30/83/961443083.db2.gz HXBGPWIFYXKABF-KBPBESRZSA-N -1 1 290.407 3.430 20 0 CGADMM C[C@H]1CCC[C@@H]1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001568059490 961497096 /nfs/dbraw/zinc/49/70/96/961497096.db2.gz RKFSDHQDKNODKU-WCQYABFASA-N -1 1 299.370 3.417 20 0 CGADMM Cc1cnc(C(=O)NC[C@@H]2CCCC(C)(C)C2)c([O-])c1 ZINC001570368338 961948937 /nfs/dbraw/zinc/94/89/37/961948937.db2.gz IBHSHYPERIVSSD-GFCCVEGCSA-N -1 1 276.380 3.042 20 0 CGADMM CCc1ccc(C(=O)Nc2cc([C@H]3C[C@@H]3C)[nH]n2)c([O-])c1 ZINC001570719343 962054919 /nfs/dbraw/zinc/05/49/19/962054919.db2.gz UEDDPEUKEZOGSA-CABZTGNLSA-N -1 1 285.347 3.053 20 0 CGADMM CCc1cc(C(=O)[N-]c2cccc(F)c2SC)no1 ZINC001586056561 963063944 /nfs/dbraw/zinc/06/39/44/963063944.db2.gz UOHBKWXBPKYOBV-UHFFFAOYSA-N -1 1 280.324 3.350 20 0 CGADMM CCS[C@H]1CCC[C@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001587543624 963202184 /nfs/dbraw/zinc/20/21/84/963202184.db2.gz DHGKYWXPYWXMKQ-RYUDHWBXSA-N -1 1 297.395 3.325 20 0 CGADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001587543625 963206055 /nfs/dbraw/zinc/20/60/55/963206055.db2.gz DHGKYWXPYWXMKQ-VXGBXAGGSA-N -1 1 297.395 3.325 20 0 CGADMM C[C@H](N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccns1 ZINC001589124263 963341650 /nfs/dbraw/zinc/34/16/50/963341650.db2.gz VFSTWJKEQAOKQF-ZWKOPEQDSA-N -1 1 288.372 3.107 20 0 CGADMM CC(C)=CCSCc1ccc(-c2nn[n-]n2)s1 ZINC001589380035 963986647 /nfs/dbraw/zinc/98/66/47/963986647.db2.gz JTUYWFWUMURIGR-UHFFFAOYSA-N -1 1 266.395 3.128 20 0 CGADMM CC(F)(F)CCN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001592939650 980008946 /nfs/dbraw/zinc/00/89/46/980008946.db2.gz KUJZHYZLJNYUNL-JTQLQIEISA-N -1 1 295.688 3.240 20 0 CGADMM CCC1(c2ccccc2)CN(Cc2ccc(C(=O)[O-])o2)C1 ZINC001595397184 980963492 /nfs/dbraw/zinc/96/34/92/980963492.db2.gz FGWYGYGRDCMABW-UHFFFAOYSA-N -1 1 285.343 3.141 20 0 CGADMM CCC[C@H](NCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC001595599778 981573578 /nfs/dbraw/zinc/57/35/78/981573578.db2.gz BIIBONKLGLBQHK-LBPRGKRZSA-N -1 1 290.388 3.472 20 0 CGADMM CCC[C@@H](NCc1cc(C(=O)[O-])c(C)[nH]1)c1ccccn1 ZINC001595601163 981586808 /nfs/dbraw/zinc/58/68/08/981586808.db2.gz VUYXVPGNDXZEMH-CQSZACIVSA-N -1 1 287.363 3.047 20 0 CGADMM CCc1ccc2c(c1)CCN(Cc1cc(C)c(C(=O)[O-])o1)C2 ZINC001597568836 988329774 /nfs/dbraw/zinc/32/97/74/988329774.db2.gz JGZAIJUEVJGVCH-UHFFFAOYSA-N -1 1 299.370 3.407 20 0 CGADMM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)[C@H](C)CCO1 ZINC001599866550 989272666 /nfs/dbraw/zinc/27/26/66/989272666.db2.gz QHVOUKWIVWQYMR-GHMZBOCLSA-N -1 1 297.782 3.038 20 0 CGADMM CN(Cc1cc(C(=O)[O-])cs1)Cc1cc(F)cc(F)c1 ZINC001598508737 992539438 /nfs/dbraw/zinc/53/94/38/992539438.db2.gz ZGYDYHWREGPEFA-UHFFFAOYSA-N -1 1 297.326 3.357 20 0 CGADMM CN(Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccccc1 ZINC001598529868 992766376 /nfs/dbraw/zinc/76/63/76/992766376.db2.gz QXBJTSXRBKOEPT-KTKRTIGZSA-N -1 1 271.316 3.009 20 0 CGADMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccn1 ZINC001593190543 994123486 /nfs/dbraw/zinc/12/34/86/994123486.db2.gz QLPLVUHWXBDFGA-IINYFYTJSA-N -1 1 290.750 3.212 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N(C)CCC(C)(C)C(=O)[O-] ZINC001593687848 996128132 /nfs/dbraw/zinc/12/81/32/996128132.db2.gz UBXRAGKLGWAICS-JTQLQIEISA-N -1 1 285.334 3.459 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N(C)CC1CCCC1 ZINC001593731494 996302677 /nfs/dbraw/zinc/30/26/77/996302677.db2.gz GEXGFQQWUMTBMS-VIFPVBQESA-N -1 1 268.382 3.024 20 0 CGADMM CCc1ccc(-c2ccc(CN[C@H](C(=O)[O-])C3CC3)o2)cc1 ZINC000417609816 529575302 /nfs/dbraw/zinc/57/53/02/529575302.db2.gz RMDZCJOWQKLUMH-KRWDZBQOSA-N -1 1 299.370 3.462 20 0 CGADMM CCc1ncsc1NC(=O)c1ccc(CC)cc1[O-] ZINC000436826486 529764430 /nfs/dbraw/zinc/76/44/30/529764430.db2.gz ADIWDWPXHRIGAQ-UHFFFAOYSA-N -1 1 276.361 3.226 20 0 CGADMM O=C([O-])c1ccc(CN(Cc2ccc(F)cc2)C2CC2)o1 ZINC000035219076 344942071 /nfs/dbraw/zinc/94/20/71/344942071.db2.gz GIGAWFFSCSFBDW-UHFFFAOYSA-N -1 1 289.306 3.282 20 0 CGADMM O=C([O-])c1sccc1CN1CCc2ccccc2C1 ZINC000110955180 345947202 /nfs/dbraw/zinc/94/72/02/345947202.db2.gz NLQRHWWJSMXLPB-UHFFFAOYSA-N -1 1 273.357 3.005 20 0 CGADMM CSC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000306015651 346450416 /nfs/dbraw/zinc/45/04/16/346450416.db2.gz RXOHPPHNYGYAPR-UHFFFAOYSA-N -1 1 285.796 3.013 20 0 CGADMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000311335224 346473059 /nfs/dbraw/zinc/47/30/59/346473059.db2.gz FSMPBYULBHBTNZ-GHMZBOCLSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN(Cc1ccccc1)C1CC1 ZINC000383675366 346562850 /nfs/dbraw/zinc/56/28/50/346562850.db2.gz VBCBRWHIEICLAX-UHFFFAOYSA-N -1 1 285.343 3.451 20 0 CGADMM COCC1(Cc2nc(-c3ccc([O-])cc3Cl)no2)CC1 ZINC000351369137 346537660 /nfs/dbraw/zinc/53/76/60/346537660.db2.gz ODJKHJPFKQZMCQ-UHFFFAOYSA-N -1 1 294.738 3.065 20 0 CGADMM Cc1ccc(F)c(C(=O)[N-]c2nnc(C3CC3)s2)c1F ZINC000584854500 346719203 /nfs/dbraw/zinc/71/92/03/346719203.db2.gz SIEUSOLEACGVKT-UHFFFAOYSA-N -1 1 295.314 3.254 20 0 CGADMM CC(C)c1nc(=NCC2(c3ccc(Cl)cc3)CC2)o[n-]1 ZINC000605693141 348166242 /nfs/dbraw/zinc/16/62/42/348166242.db2.gz SIJGRODBAICXMQ-UHFFFAOYSA-N -1 1 291.782 3.412 20 0 CGADMM O=C(Nc1c([O-])cccc1F)C(=O)c1ccc(Cl)cc1 ZINC000608366874 348301096 /nfs/dbraw/zinc/30/10/96/348301096.db2.gz ANMDMFZHCJRIDD-UHFFFAOYSA-N -1 1 293.681 3.006 20 0 CGADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccco1 ZINC000608490722 348312881 /nfs/dbraw/zinc/31/28/81/348312881.db2.gz JLVSJMATYXJLCZ-QMMMGPOBSA-N -1 1 265.696 3.381 20 0 CGADMM [O-]c1c(-c2nc(C[C@H]3CCCO3)no2)ccc2ccccc21 ZINC000273359303 192125750 /nfs/dbraw/zinc/12/57/50/192125750.db2.gz AMSDVMPGXYFDGC-GFCCVEGCSA-N -1 1 296.326 3.317 20 0 CGADMM CC1(C)CCC[C@](O)(C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000612759324 348544236 /nfs/dbraw/zinc/54/42/36/348544236.db2.gz IZHMWNWYWKKOLB-OAHLLOKOSA-N -1 1 297.782 3.315 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(OC(F)(F)F)cc2)c1=O ZINC000614185564 348656667 /nfs/dbraw/zinc/65/66/67/348656667.db2.gz OXUMXEDJLIHWJQ-LLVKDONJSA-N -1 1 286.253 3.334 20 0 CGADMM CCc1cc(=O)n(-c2ccc(F)cc2Br)[n-]1 ZINC000614186191 348656878 /nfs/dbraw/zinc/65/68/78/348656878.db2.gz XWAGCXCYNCCFGA-UHFFFAOYSA-N -1 1 285.116 3.091 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000615221761 348724370 /nfs/dbraw/zinc/72/43/70/348724370.db2.gz OAIXBLQSTGZWDB-PWSUYJOCSA-N -1 1 299.374 3.352 20 0 CGADMM CCCc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)ccc1Cl ZINC000615221629 348724461 /nfs/dbraw/zinc/72/44/61/348724461.db2.gz MTHDCPZLSNTTDH-UHFFFAOYSA-N -1 1 293.754 3.282 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C1=C(c2ccccc2)CCCC1 ZINC000615227427 348725148 /nfs/dbraw/zinc/72/51/48/348725148.db2.gz RHYRIIDWGLFNCH-UHFFFAOYSA-N -1 1 297.358 3.390 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC(C2CCC2)CC1 ZINC000617771081 349005773 /nfs/dbraw/zinc/00/57/73/349005773.db2.gz HEOLOXGIRYJRDH-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM CC1(C)CC(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000620739156 349416771 /nfs/dbraw/zinc/41/67/71/349416771.db2.gz NDSYSCYQPVTUHE-UHFFFAOYSA-N -1 1 287.281 3.329 20 0 CGADMM Cc1nn(C)c(NC(=O)c2ccc(C(C)C)cc2[O-])c1C ZINC000271252928 191028870 /nfs/dbraw/zinc/02/88/70/191028870.db2.gz JKRJNWDKHXSZLH-UHFFFAOYSA-N -1 1 287.363 3.118 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(C)c(Cl)c2)c1=O ZINC000104742336 186020205 /nfs/dbraw/zinc/02/02/05/186020205.db2.gz HXRVCCXIYLCGKS-NSHDSACASA-N -1 1 250.729 3.397 20 0 CGADMM C[C@H](CC(=O)Nc1ccc(F)cc1[O-])C(F)(F)F ZINC000626277716 350290891 /nfs/dbraw/zinc/29/08/91/350290891.db2.gz MDLQTQWFLGIBTA-ZCFIWIBFSA-N -1 1 265.206 3.058 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(C1CC1)C1CC1 ZINC000628815614 350605497 /nfs/dbraw/zinc/60/54/97/350605497.db2.gz QZLWMIYLMRRHLE-UHFFFAOYSA-N -1 1 285.265 3.178 20 0 CGADMM CCC(F)(F)C(C)(C)CNC(=O)c1ccc([O-])c(F)c1 ZINC000628880894 350617224 /nfs/dbraw/zinc/61/72/24/350617224.db2.gz FFYPDDGWOXYCQG-UHFFFAOYSA-N -1 1 289.297 3.333 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C1CCC2(CC2)CC1 ZINC000628960031 350625745 /nfs/dbraw/zinc/62/57/45/350625745.db2.gz IMNIDFQOAXFUSI-UHFFFAOYSA-N -1 1 263.312 3.440 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N(C1CC1)C1CC1 ZINC000628820059 350608029 /nfs/dbraw/zinc/60/80/29/350608029.db2.gz YUJSOFUYXIOYLT-UHFFFAOYSA-N -1 1 267.328 3.312 20 0 CGADMM COCC1(C(=O)Nc2cccc(F)c2[O-])CCCCC1 ZINC000628960744 350626423 /nfs/dbraw/zinc/62/64/23/350626423.db2.gz ZEJYDNPPGQYFDH-UHFFFAOYSA-N -1 1 281.327 3.067 20 0 CGADMM Cc1cc(F)c(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(Cl)c1 ZINC000629773892 350766934 /nfs/dbraw/zinc/76/69/34/350766934.db2.gz SUZDIHWJRINWBL-GHMZBOCLSA-N -1 1 299.773 3.330 20 0 CGADMM Cc1nc(SC[C@H]2CCC[C@@H](O)C2)[n-]c(=O)c1C1CC1 ZINC000631023439 350926602 /nfs/dbraw/zinc/92/66/02/350926602.db2.gz REKGVBRYVAHZLC-CMPLNLGQSA-N -1 1 294.420 3.011 20 0 CGADMM CCOC1CC(Sc2nc(C)c(C3CC3)c(=O)[n-]2)C1 ZINC000631023495 350926734 /nfs/dbraw/zinc/92/67/34/350926734.db2.gz TUWLYVWOUAGXGT-UHFFFAOYSA-N -1 1 280.393 3.028 20 0 CGADMM C[C@@H]1CC[C@@H](C)N(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000631570884 351070481 /nfs/dbraw/zinc/07/04/81/351070481.db2.gz VBPXWAXDLFOKKZ-GHMZBOCLSA-N -1 1 281.783 3.235 20 0 CGADMM CC[C@@H]1C[C@H](C)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631582427 351077093 /nfs/dbraw/zinc/07/70/93/351077093.db2.gz RLOSRQYPRNHZBF-CMPLNLGQSA-N -1 1 281.783 3.235 20 0 CGADMM CC[C@H](C)CN(CC)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631617451 351091960 /nfs/dbraw/zinc/09/19/60/351091960.db2.gz VIUDQYCIEWRJLB-NSHDSACASA-N -1 1 283.799 3.483 20 0 CGADMM C[C@@H]1CCC[C@H]1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632858131 351224841 /nfs/dbraw/zinc/22/48/41/351224841.db2.gz ZAIPYBLMBVPZAQ-PWSUYJOCSA-N -1 1 281.783 3.141 20 0 CGADMM CN(CCC(C)(C)C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633554167 351322332 /nfs/dbraw/zinc/32/23/32/351322332.db2.gz VPLIHFHHYATWSF-UHFFFAOYSA-N -1 1 283.799 3.483 20 0 CGADMM Cc1[n-]n(-c2ncc(Cl)cc2Cl)c(=O)c1C1CC1 ZINC000634583628 351523603 /nfs/dbraw/zinc/52/36/03/351523603.db2.gz CMUOFKCEZSXTNF-SNVBAGLBSA-N -1 1 284.146 3.137 20 0 CGADMM CCc1c(C(C)C)[n-]n(-c2ccc(OC)cc2)c1=O ZINC000634592989 351528943 /nfs/dbraw/zinc/52/89/43/351528943.db2.gz AXZOTQWEYICODS-CYBMUJFWSA-N -1 1 260.337 3.080 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(Br)cc2F)c1=O ZINC000634594190 351530062 /nfs/dbraw/zinc/53/00/62/351530062.db2.gz NXQVPGCMWADZMY-VIFPVBQESA-N -1 1 299.143 3.337 20 0 CGADMM CCc1[n-]n(-c2cnc3ccccc3n2)c(=O)c1C(C)C ZINC000634594213 351530130 /nfs/dbraw/zinc/53/01/30/351530130.db2.gz ONZZHPFUFQTIQO-OAHLLOKOSA-N -1 1 282.347 3.015 20 0 CGADMM CCc1[n-]n(-c2ncccc2Cl)c(=O)c1C(C)C ZINC000634594931 351530942 /nfs/dbraw/zinc/53/09/42/351530942.db2.gz LIJVMQAQPRVEDM-LLVKDONJSA-N -1 1 265.744 3.120 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3cc(F)ccc3F)c(=O)c2C1 ZINC000634596783 351533631 /nfs/dbraw/zinc/53/36/31/351533631.db2.gz QSFQLAVQHOCGBO-SKDRFNHKSA-N -1 1 278.302 3.099 20 0 CGADMM O=C([O-])c1cccc(-n2[nH]c3c(c2=O)CCCCCC3)c1 ZINC000634598476 351534892 /nfs/dbraw/zinc/53/48/92/351534892.db2.gz LQQWJSAUFARDOP-CYBMUJFWSA-N -1 1 286.331 3.058 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(OC(F)F)cc3)c(=O)c21 ZINC000634602645 351537468 /nfs/dbraw/zinc/53/74/68/351537468.db2.gz XWEXMEZLTQXIFT-PRHODGIISA-N -1 1 280.274 3.037 20 0 CGADMM Cc1[n-]n(-c2cc(F)cc(Cl)c2)c(=O)c1C1CC1 ZINC000634607017 351539765 /nfs/dbraw/zinc/53/97/65/351539765.db2.gz JZQYOUAAUDVSOY-GFCCVEGCSA-N -1 1 266.703 3.228 20 0 CGADMM Cc1cccc(Cl)c1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634609045 351541266 /nfs/dbraw/zinc/54/12/66/351541266.db2.gz VAEOBVNPNFVFGG-PRHODGIISA-N -1 1 262.740 3.397 20 0 CGADMM CCc1c(C(C)C)[n-]n(CCc2ccc(OC)cc2)c1=O ZINC000634612806 351542204 /nfs/dbraw/zinc/54/22/04/351542204.db2.gz IWLKVTBJRLGWAV-HNNXBMFYSA-N -1 1 288.391 3.118 20 0 CGADMM Cc1[n-]n([C@@H](Cc2ccccc2)C(C)C)c(=O)c1C ZINC000634621184 351546530 /nfs/dbraw/zinc/54/65/30/351546530.db2.gz BLKDNVWRPVZHMR-WFASDCNBSA-N -1 1 258.365 3.108 20 0 CGADMM CC(C)[C@H](Cc1ccccc1)n1[n-]c(-c2ccc[nH]2)cc1=O ZINC000634621148 351546828 /nfs/dbraw/zinc/54/68/28/351546828.db2.gz APNVXJVDDYDDEW-KRWDZBQOSA-N -1 1 295.386 3.218 20 0 CGADMM O=c1c2c([n-]n1[C@H]1CCc3c1cccc3F)CCCC2 ZINC000634631760 351553767 /nfs/dbraw/zinc/55/37/67/351553767.db2.gz BPTVYCFUQNSMDX-WFASDCNBSA-N -1 1 272.323 3.201 20 0 CGADMM CCCCc1[nH]n(-c2cccc(C(=O)[O-])c2C)c(=O)c1C ZINC000634632935 351554494 /nfs/dbraw/zinc/55/44/94/351554494.db2.gz FAUZHXJXSUAVRL-LLVKDONJSA-N -1 1 288.347 3.222 20 0 CGADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CCC=CCC1 ZINC000636282116 351734747 /nfs/dbraw/zinc/73/47/47/351734747.db2.gz DUGMDQHULGPGHW-UHFFFAOYSA-N -1 1 297.358 3.263 20 0 CGADMM C[C@H]1C[C@@H](CNC(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000271649007 191258621 /nfs/dbraw/zinc/25/86/21/191258621.db2.gz ZHFLRZSZEFHHDE-STQMWFEESA-N -1 1 299.370 3.090 20 0 CGADMM Cn1cc([N-]c2nc3ccccc3o2)c(C2CC2)n1 ZINC000292225928 198208614 /nfs/dbraw/zinc/20/86/14/198208614.db2.gz FFLUYNMMSDNKSA-UHFFFAOYSA-N -1 1 254.293 3.182 20 0 CGADMM CC(C)C[C@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC000451344494 535299410 /nfs/dbraw/zinc/29/94/10/535299410.db2.gz JQQJWUJIIDWGIZ-QMMMGPOBSA-N -1 1 281.830 3.114 20 0 CGADMM CCCc1nc(C(=O)[N-]c2nnc(C(C)(C)C)s2)co1 ZINC000273536747 192193334 /nfs/dbraw/zinc/19/33/34/192193334.db2.gz SIGBXHXVAQNWCI-UHFFFAOYSA-N -1 1 294.380 3.028 20 0 CGADMM CC(C)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000336335972 213181997 /nfs/dbraw/zinc/18/19/97/213181997.db2.gz ZYCHWVXNBVMBJT-UHFFFAOYSA-N -1 1 292.560 3.403 20 0 CGADMM O=C(Nc1ccncc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000109890142 138362334 /nfs/dbraw/zinc/36/23/34/138362334.db2.gz GKVVXHXZLWSKLA-UHFFFAOYSA-N -1 1 282.221 3.058 20 0 CGADMM Cc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000426773951 236312472 /nfs/dbraw/zinc/31/24/72/236312472.db2.gz MBNHCQCAAMPMBW-HNNXBMFYSA-N -1 1 273.307 3.050 20 0 CGADMM Cc1ccc(CN[C@H](CCCc2ccccc2)C(=O)[O-])o1 ZINC000426793163 236314607 /nfs/dbraw/zinc/31/46/07/236314607.db2.gz MHWWSQRPNZHWEO-MRXNPFEDSA-N -1 1 287.359 3.154 20 0 CGADMM O=C([O-])[C@@H](NCc1ccsc1)c1ccc(Cl)c(F)c1 ZINC000426757774 236312004 /nfs/dbraw/zinc/31/20/04/236312004.db2.gz FJJPWGNDJCPUAS-LBPRGKRZSA-N -1 1 299.754 3.456 20 0 CGADMM Cc1c(Cl)cccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436663200 237153016 /nfs/dbraw/zinc/15/30/16/237153016.db2.gz FWGAXTXQKPGQQL-UHFFFAOYSA-N -1 1 289.718 3.175 20 0 CGADMM C[C@H](CCNC(=O)C(=O)c1ccc([O-])cc1)CC(C)(C)C ZINC000436561228 237129049 /nfs/dbraw/zinc/12/90/49/237129049.db2.gz GZRVMFASWJXUOZ-GFCCVEGCSA-N -1 1 291.391 3.154 20 0 CGADMM O=C(Nc1ccc2ccoc2c1)c1ccc(O)cc1[O-] ZINC000436784758 237180766 /nfs/dbraw/zinc/18/07/66/237180766.db2.gz QYKNZIPYNQCGEM-UHFFFAOYSA-N -1 1 269.256 3.096 20 0 CGADMM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc2ccccc2cc1[O-] ZINC000436822784 237185438 /nfs/dbraw/zinc/18/54/38/237185438.db2.gz XBUMVHRHCDWLPK-YWVIFJGQSA-N -1 1 267.328 3.074 20 0 CGADMM O=C(NCC1(c2ccccc2)CCC1)c1c([O-])cccc1F ZINC000436946980 237217859 /nfs/dbraw/zinc/21/78/59/237217859.db2.gz YLCDHUSVMKGNCO-UHFFFAOYSA-N -1 1 299.345 3.383 20 0 CGADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cccc(F)c1F ZINC000436966577 237221196 /nfs/dbraw/zinc/22/11/96/237221196.db2.gz VXGDUFVKGJLNJP-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM O=C(NCC1(Cc2ccccc2)CC1)c1c([O-])cccc1F ZINC000436985072 237226941 /nfs/dbraw/zinc/22/69/41/237226941.db2.gz BXTJQSIQDJEZEW-UHFFFAOYSA-N -1 1 299.345 3.284 20 0 CGADMM Cc1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(C)s1 ZINC000436869947 237197827 /nfs/dbraw/zinc/19/78/27/237197827.db2.gz CJWMUFNVAUIWCD-UHFFFAOYSA-N -1 1 291.307 3.322 20 0 CGADMM O=C(NC1(C(F)F)CCCCC1)c1ccc([O-])cc1F ZINC000436852618 237198390 /nfs/dbraw/zinc/19/83/90/237198390.db2.gz AVMQKKKXVXQTQU-UHFFFAOYSA-N -1 1 287.281 3.229 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCc2c1c(F)ccc2F ZINC000436902936 237207002 /nfs/dbraw/zinc/20/70/02/237207002.db2.gz LHRFXUVJAUQIGL-UHFFFAOYSA-N -1 1 293.244 3.012 20 0 CGADMM O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1c([O-])cccc1F ZINC000437463288 237290318 /nfs/dbraw/zinc/29/03/18/237290318.db2.gz RGIWGIKOFAUQKA-JOCQHMNTSA-N -1 1 285.318 3.207 20 0 CGADMM O=C(Nc1ccccc1-c1cn[nH]c1)c1cc(F)ccc1[O-] ZINC000439747059 238276521 /nfs/dbraw/zinc/27/65/21/238276521.db2.gz STNSRMOVLLFPQO-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM Cc1cc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c(C)o1 ZINC000342270973 216284750 /nfs/dbraw/zinc/28/47/50/216284750.db2.gz HPOFJGUVHXMGCJ-UHFFFAOYSA-N -1 1 287.344 3.022 20 0 CGADMM CCc1cc(CCCSc2nc(C)c(C)c(=O)[n-]2)on1 ZINC000450899253 240142669 /nfs/dbraw/zinc/14/26/69/240142669.db2.gz DJBZEKXQZPVZRF-UHFFFAOYSA-N -1 1 293.392 3.074 20 0 CGADMM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000450976232 240178004 /nfs/dbraw/zinc/17/80/04/240178004.db2.gz YWTGQDDQHQQLLY-WCBMZHEXSA-N -1 1 293.841 3.259 20 0 CGADMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451173753 240237590 /nfs/dbraw/zinc/23/75/90/240237590.db2.gz UDTSVEAVKAPONU-JOYOIKCWSA-N -1 1 297.351 3.039 20 0 CGADMM O=S(=O)([N-]CC1=CCCCC1)c1sccc1Cl ZINC000451632456 240338196 /nfs/dbraw/zinc/33/81/96/240338196.db2.gz LSOFQEXHAYTGCU-UHFFFAOYSA-N -1 1 291.825 3.180 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456278674 241390863 /nfs/dbraw/zinc/39/08/63/241390863.db2.gz LRTKOUUIXVOODM-DZGCQCFKSA-N -1 1 291.778 3.306 20 0 CGADMM O=c1cc(CN(Cc2ccccc2)C2CC2)nc(C2CC2)[nH]1 ZINC000459281319 242050269 /nfs/dbraw/zinc/05/02/69/242050269.db2.gz CBLZBPUBPMHTBQ-UHFFFAOYSA-N -1 1 295.386 3.224 20 0 CGADMM O=c1cc(C(F)(F)F)nc(SCC2CCC2)[n-]1 ZINC000463266392 242391452 /nfs/dbraw/zinc/39/14/52/242391452.db2.gz MSSOXWHBQCRCAP-UHFFFAOYSA-N -1 1 264.272 3.093 20 0 CGADMM CC[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCCO1 ZINC000335528145 212221899 /nfs/dbraw/zinc/22/18/99/212221899.db2.gz NKVMQNIGHDYDMH-HNNXBMFYSA-N -1 1 299.370 3.187 20 0 CGADMM CC(C)c1nc(=NC[C@@H]2CCCC[C@H]2C(F)(F)F)o[n-]1 ZINC000484829869 243322238 /nfs/dbraw/zinc/32/22/38/243322238.db2.gz PKUPSPCEWAWUBN-VHSXEESVSA-N -1 1 291.317 3.396 20 0 CGADMM CCCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000017322284 368731107 /nfs/dbraw/zinc/73/11/07/368731107.db2.gz DOJJWUPFYYHSST-UHFFFAOYSA-N -1 1 257.333 3.465 20 0 CGADMM CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000019838729 368770178 /nfs/dbraw/zinc/77/01/78/368770178.db2.gz KUZUICCTAUUHDV-UHFFFAOYSA-N -1 1 275.735 3.318 20 0 CGADMM CCCCN(CC)C(=O)c1cc(Cl)ccc1[O-] ZINC000019838900 368770453 /nfs/dbraw/zinc/77/04/53/368770453.db2.gz DWSGTYFJVABRGW-UHFFFAOYSA-N -1 1 255.745 3.308 20 0 CGADMM CCN(C(=O)c1ccc(OC)cc1[O-])c1ccccc1 ZINC000019839401 368771508 /nfs/dbraw/zinc/77/15/08/368771508.db2.gz UIYYPMWIMLWMNX-UHFFFAOYSA-N -1 1 271.316 3.068 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2)c(C)s1 ZINC000032531818 368933890 /nfs/dbraw/zinc/93/38/90/368933890.db2.gz ASUQGDFKWPRRGM-UHFFFAOYSA-N -1 1 281.402 3.474 20 0 CGADMM Cc1ccc(-c2nc(CN(C)CCC(=O)[O-])cs2)cc1 ZINC000037932660 369126426 /nfs/dbraw/zinc/12/64/26/369126426.db2.gz FQDUSKINMQOTRT-UHFFFAOYSA-N -1 1 290.388 3.025 20 0 CGADMM Cc1nc(S[C@@H](C)c2nc(C(C)C)no2)[n-]c(=O)c1C ZINC000330703208 203134254 /nfs/dbraw/zinc/13/42/54/203134254.db2.gz ILUPVWZJBIRKGQ-VIFPVBQESA-N -1 1 294.380 3.159 20 0 CGADMM CCC(=C([O-])c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000061702488 369605403 /nfs/dbraw/zinc/60/54/03/369605403.db2.gz MMCPZEUWAVKXST-OAHLLOKOSA-N -1 1 288.368 3.122 20 0 CGADMM C[C@H]1CCC[C@H](C)N1Cc1nc(=O)c2sccc2[n-]1 ZINC000066531508 369695696 /nfs/dbraw/zinc/69/56/96/369695696.db2.gz QTKNYUPBILOYBZ-UWVGGRQHSA-N -1 1 277.393 3.160 20 0 CGADMM Cc1cc(C)cc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000075913753 369922069 /nfs/dbraw/zinc/92/20/69/369922069.db2.gz FOHPRYMSHUKLRN-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM C[C@@H](C(=O)Nc1cc(Cl)ccc1O)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101652471 370294452 /nfs/dbraw/zinc/29/44/52/370294452.db2.gz VZLUFHXZJXDXFF-AXFHLTTASA-N -1 1 296.798 3.245 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]2CCCC[C@@H]21 ZINC000132868322 371208715 /nfs/dbraw/zinc/20/87/15/371208715.db2.gz GHJPJAAWAJZMPB-FZMZJTMJSA-N -1 1 277.339 3.326 20 0 CGADMM CCc1nc(NC(=O)c2cc(F)ccc2[O-])sc1C ZINC000149089020 371526433 /nfs/dbraw/zinc/52/64/33/371526433.db2.gz MYTVUZSEGOWYNN-UHFFFAOYSA-N -1 1 280.324 3.111 20 0 CGADMM CCOc1cc(C(=O)NC[C@@H](C)CC)cc(Cl)c1[O-] ZINC000421907029 371706678 /nfs/dbraw/zinc/70/66/78/371706678.db2.gz CGWBDIACOSFLLQ-VIFPVBQESA-N -1 1 285.771 3.220 20 0 CGADMM CC[C@H](C)[C@H]1CCCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000287962013 371720631 /nfs/dbraw/zinc/72/06/31/371720631.db2.gz YPSYLTPRXAWJHH-SWLSCSKDSA-N -1 1 289.375 3.002 20 0 CGADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1c(F)ccc([O-])c1F ZINC000289644517 371782071 /nfs/dbraw/zinc/78/20/71/371782071.db2.gz XUIABBCONHYLPN-CMPLNLGQSA-N -1 1 295.329 3.369 20 0 CGADMM CC[C@@H](C)C[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000289652778 371783320 /nfs/dbraw/zinc/78/33/20/371783320.db2.gz MTXNOBHKYAOYSS-BDAKNGLRSA-N -1 1 271.307 3.225 20 0 CGADMM CO[C@H]1CCC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000290510790 372005507 /nfs/dbraw/zinc/00/55/07/372005507.db2.gz TXINCLXWTDPDFM-ZDUSSCGKSA-N -1 1 289.297 3.022 20 0 CGADMM O=C(NCc1ncccc1F)c1cc2ccccc2cc1[O-] ZINC000162562597 372403553 /nfs/dbraw/zinc/40/35/53/372403553.db2.gz TUASMSDZTWSADW-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCC2(CCCC2)C1 ZINC000174848420 373372475 /nfs/dbraw/zinc/37/24/75/373372475.db2.gz SXYKCEXLDPWUHY-UHFFFAOYSA-N -1 1 279.767 3.452 20 0 CGADMM C[C@H](N(C)C(=O)c1ccc(Cl)cc1[O-])C1(C)CC1 ZINC000175642245 373499165 /nfs/dbraw/zinc/49/91/65/373499165.db2.gz XCJLIUCVIYSBFE-VIFPVBQESA-N -1 1 267.756 3.306 20 0 CGADMM C[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)[C@H]1C(=O)[O-] ZINC000300274775 373624327 /nfs/dbraw/zinc/62/43/27/373624327.db2.gz UKAVNEQULBIIDL-TVQRCGJNSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C)(F)F ZINC000449802476 373930700 /nfs/dbraw/zinc/93/07/00/373930700.db2.gz KYIRDQLYNBHQQI-QMMMGPOBSA-N -1 1 295.289 3.012 20 0 CGADMM C[C@H]1CC(NC(=O)c2c(F)ccc([O-])c2F)C[C@H](C)C1 ZINC000289516376 197385811 /nfs/dbraw/zinc/38/58/11/197385811.db2.gz OYOJFYRASBLCFN-RKDXNWHRSA-N -1 1 283.318 3.225 20 0 CGADMM Cc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1F ZINC000316588735 374334066 /nfs/dbraw/zinc/33/40/66/374334066.db2.gz SXQXIMJQTNKBBO-INIZCTEOSA-N -1 1 299.345 3.318 20 0 CGADMM Cc1cc(C)c(C(=O)Nc2ccc([O-])c(Cl)c2)[nH]1 ZINC000182875487 374337099 /nfs/dbraw/zinc/33/70/99/374337099.db2.gz DXDSTTSESPBNKF-UHFFFAOYSA-N -1 1 264.712 3.243 20 0 CGADMM O=C(NCCC[C@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000183491454 374420447 /nfs/dbraw/zinc/42/04/47/374420447.db2.gz MJOSLIPXBNEYAG-GFCCVEGCSA-N -1 1 297.782 3.125 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@H]2CCC(C)C)c([O-])c1 ZINC000331185437 374511853 /nfs/dbraw/zinc/51/18/53/374511853.db2.gz IRTPZPFXUHGPKK-ZDUSSCGKSA-N -1 1 276.380 3.136 20 0 CGADMM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000331183261 374512904 /nfs/dbraw/zinc/51/29/04/374512904.db2.gz IHURGTJYAAPRQE-CHWSQXEVSA-N -1 1 276.380 3.136 20 0 CGADMM CC[C@H](OC1CCCC1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456787547 374623230 /nfs/dbraw/zinc/62/32/30/374623230.db2.gz PVFFTUWMLVVHJG-LBPRGKRZSA-N -1 1 299.317 3.347 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCc2c1cc(F)cc2F ZINC000191936049 296222313 /nfs/dbraw/zinc/22/23/13/296222313.db2.gz YLHMPWOZUATGEZ-UHFFFAOYSA-N -1 1 293.244 3.012 20 0 CGADMM COc1cc(C(=O)N2CC3(C2)CCCC3)cc(Cl)c1[O-] ZINC000334402943 374720421 /nfs/dbraw/zinc/72/04/21/374720421.db2.gz ZTMNGCLBYNSISP-UHFFFAOYSA-N -1 1 295.766 3.070 20 0 CGADMM C[C@H]1CCCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000187104823 374971607 /nfs/dbraw/zinc/97/16/07/374971607.db2.gz UJRVATVGCWRVRL-JTQLQIEISA-N -1 1 267.756 3.308 20 0 CGADMM Cc1cnc(C(=O)N2CCC(C)=C(c3ccco3)C2)c([O-])c1 ZINC000335063852 375099906 /nfs/dbraw/zinc/09/99/06/375099906.db2.gz ZSMBNOXNJCELOB-UHFFFAOYSA-N -1 1 298.342 3.008 20 0 CGADMM CC1(C)CCC[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335218373 375237768 /nfs/dbraw/zinc/23/77/68/375237768.db2.gz SCCKXWDATMPWQY-MRVPVSSYSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(Cl)cc2F)C[C@@H]1C(=O)[O-] ZINC000335426156 375285676 /nfs/dbraw/zinc/28/56/76/375285676.db2.gz ZFTFWZPRRSKTJO-SKDRFNHKSA-N -1 1 285.746 3.022 20 0 CGADMM O=C(Nc1ccsc1Cl)c1cc(F)ccc1[O-] ZINC000189498227 375399866 /nfs/dbraw/zinc/39/98/66/375399866.db2.gz IJHVJCONWPQNIN-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM CC(C)(C)C(C)(C)NC(=O)c1ccc([O-])cc1F ZINC000335790232 375432566 /nfs/dbraw/zinc/43/25/66/375432566.db2.gz XUWVBQFOQWXEGS-UHFFFAOYSA-N -1 1 253.317 3.086 20 0 CGADMM Cc1c(NC(=O)c2ccccc2[O-])cnn1C1CCCC1 ZINC000192695964 375778581 /nfs/dbraw/zinc/77/85/81/375778581.db2.gz APUXULWYMZPPKG-UHFFFAOYSA-N -1 1 285.347 3.265 20 0 CGADMM CCCc1ccc(CSc2nc(C(=O)OC)c[n-]2)cc1 ZINC000193535666 375892585 /nfs/dbraw/zinc/89/25/85/375892585.db2.gz HMTDACGUKMZECT-UHFFFAOYSA-N -1 1 290.388 3.441 20 0 CGADMM CC1(C)CC[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000336719700 375918933 /nfs/dbraw/zinc/91/89/33/375918933.db2.gz VZYAEOFVBLJUCJ-NSHDSACASA-N -1 1 298.180 3.073 20 0 CGADMM CC[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)s1 ZINC000339950532 376877038 /nfs/dbraw/zinc/87/70/38/376877038.db2.gz GSRNAOWCEVEHMC-SNVBAGLBSA-N -1 1 296.779 3.383 20 0 CGADMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340332664 377009331 /nfs/dbraw/zinc/00/93/31/377009331.db2.gz XXMYXWVDOKSAQA-LLVKDONJSA-N -1 1 289.306 3.246 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCCCCO1 ZINC000436887959 284628624 /nfs/dbraw/zinc/62/86/24/284628624.db2.gz YPPJTEVHQBDBCY-UHFFFAOYSA-N -1 1 271.316 3.103 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(C(C)=O)c(C)c2)c([O-])c1 ZINC000089410437 249028176 /nfs/dbraw/zinc/02/81/76/249028176.db2.gz UNKKHOITGRJDPE-UHFFFAOYSA-N -1 1 299.326 3.164 20 0 CGADMM Cc1nn(C)c(C)c1[N-]c1nc2cc(C)ccc2o1 ZINC000265193374 190164788 /nfs/dbraw/zinc/16/47/88/190164788.db2.gz CMDZXWXWDOQQSS-UHFFFAOYSA-N -1 1 256.309 3.230 20 0 CGADMM C[C@@]1(F)CCCN(c2c(C(=O)[O-])cnc3ccccc32)C1 ZINC000573806079 377578166 /nfs/dbraw/zinc/57/81/66/377578166.db2.gz XFIXDHUDDAKAAA-MRXNPFEDSA-N -1 1 288.322 3.261 20 0 CGADMM CC(C)c1noc([N-][C@H](C)c2nc3ccccc3[nH]2)n1 ZINC000265491271 190186050 /nfs/dbraw/zinc/18/60/50/190186050.db2.gz CIBANRLWKZIEPX-SECBINFHSA-N -1 1 271.324 3.242 20 0 CGADMM O=c1nc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)[n-]c2ccsc21 ZINC000253547557 377698882 /nfs/dbraw/zinc/69/88/82/377698882.db2.gz DTHNDFGBVCXROX-CMPLNLGQSA-N -1 1 289.404 3.161 20 0 CGADMM O=c1nc(CN2CCC[C@@H]3CCC[C@H]32)[n-]c2ccsc21 ZINC000253547557 377698889 /nfs/dbraw/zinc/69/88/89/377698889.db2.gz DTHNDFGBVCXROX-CMPLNLGQSA-N -1 1 289.404 3.161 20 0 CGADMM CC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000261371644 377809670 /nfs/dbraw/zinc/80/96/70/377809670.db2.gz DNGFNYWLWBTKQM-UHFFFAOYSA-N -1 1 283.327 3.464 20 0 CGADMM Cc1cc2cc(CN3CCCC[C@@H]3C(=O)[O-])oc2cc1C ZINC000263424326 377934708 /nfs/dbraw/zinc/93/47/08/377934708.db2.gz PYKUWNASDVIWPW-OAHLLOKOSA-N -1 1 287.359 3.489 20 0 CGADMM O=C([O-])C1CCC(Nc2ccc3cnccc3c2)CC1 ZINC000263446010 377937916 /nfs/dbraw/zinc/93/79/16/377937916.db2.gz XWDQZJRTEQVRNX-UHFFFAOYSA-N -1 1 270.332 3.290 20 0 CGADMM C[C@H](C(=O)[O-])N(C)c1ccnc2cc(C(F)(F)F)ccc21 ZINC000263493988 377940804 /nfs/dbraw/zinc/94/08/04/377940804.db2.gz JDCTUOJYPBRBLJ-MRVPVSSYSA-N -1 1 298.264 3.163 20 0 CGADMM CCc1ccc(NC(=O)c2cncc([O-])c2)cc1Cl ZINC000343112603 377904712 /nfs/dbraw/zinc/90/47/12/377904712.db2.gz LEGAVIANTHPPKD-UHFFFAOYSA-N -1 1 276.723 3.255 20 0 CGADMM CCc1nc(C(=O)[N-]c2nnc(C(CC)CC)s2)co1 ZINC000346546121 378613619 /nfs/dbraw/zinc/61/36/19/378613619.db2.gz RYAXJUOCMPQOJG-UHFFFAOYSA-N -1 1 294.380 3.244 20 0 CGADMM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(F)cc2[O-])CCO1 ZINC000272889404 378718477 /nfs/dbraw/zinc/71/84/77/378718477.db2.gz WONKGDXOJNYAGO-ZYHUDNBSSA-N -1 1 281.327 3.065 20 0 CGADMM CCCCn1cc(C(=O)Nc2ccc(F)cc2[O-])c(C)n1 ZINC000274482042 378839409 /nfs/dbraw/zinc/83/94/09/378839409.db2.gz BHTWZRUUJIYMPZ-UHFFFAOYSA-N -1 1 291.326 3.089 20 0 CGADMM Cc1ccc([C@H](C)N(C)C(=O)c2ncccc2[O-])c(C)c1 ZINC000275137411 378943735 /nfs/dbraw/zinc/94/37/35/378943735.db2.gz MDGJOQGEZNKRBQ-ZDUSSCGKSA-N -1 1 284.359 3.237 20 0 CGADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1cccnc1 ZINC000277694962 379218240 /nfs/dbraw/zinc/21/82/40/379218240.db2.gz MCOLESIDFRIAEJ-SECBINFHSA-N -1 1 273.361 3.308 20 0 CGADMM COCCC1(c2nc(-c3ccc([O-])cc3F)no2)CCC1 ZINC000278116223 379295134 /nfs/dbraw/zinc/29/51/34/379295134.db2.gz JAKBZIFHDADCLG-UHFFFAOYSA-N -1 1 292.310 3.040 20 0 CGADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccsc2)[nH]n1 ZINC000350144942 379518353 /nfs/dbraw/zinc/51/83/53/379518353.db2.gz GAINXZDRGXDPNH-SECBINFHSA-N -1 1 299.421 3.176 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccncc3Cl)n2)c(F)c1 ZINC000350810083 379587445 /nfs/dbraw/zinc/58/74/45/379587445.db2.gz CLVONROZMVNNHN-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM CO[C@]1(C)CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000280060791 379593907 /nfs/dbraw/zinc/59/39/07/379593907.db2.gz QTEHVUDFPDPUNT-OAHLLOKOSA-N -1 1 297.782 3.077 20 0 CGADMM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000377382339 379665359 /nfs/dbraw/zinc/66/53/59/379665359.db2.gz KZCVFRSEINXDBN-XXFAHNHDSA-N -1 1 291.297 3.282 20 0 CGADMM O=C(N=c1[n-]sc2ccccc21)N1CCC12CCCC2 ZINC000640338385 379770183 /nfs/dbraw/zinc/77/01/83/379770183.db2.gz VROXMIVGIOVFQC-UHFFFAOYSA-N -1 1 287.388 3.269 20 0 CGADMM CC[C@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)CCS1 ZINC000381701253 379868610 /nfs/dbraw/zinc/86/86/10/379868610.db2.gz OUQBESPRSWKIHE-NSHDSACASA-N -1 1 299.823 3.366 20 0 CGADMM CC(C)C1(NC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000379711860 379861977 /nfs/dbraw/zinc/86/19/77/379861977.db2.gz GZTGKLDMVOEXKX-UHFFFAOYSA-N -1 1 298.180 3.073 20 0 CGADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])C(F)(F)F ZINC000389532955 379899956 /nfs/dbraw/zinc/89/99/56/379899956.db2.gz XPNHXGMUPPMAJM-MRVPVSSYSA-N -1 1 283.249 3.226 20 0 CGADMM CC(C)(C)O[C@H]1C[C@@H](N=c2[n-]c(C(F)(F)F)cs2)C1 ZINC000645365872 380661508 /nfs/dbraw/zinc/66/15/08/380661508.db2.gz LUPHQYROMWDILB-OCAPTIKFSA-N -1 1 294.342 3.342 20 0 CGADMM CN(Cc1ccc(F)cc1)C(=O)c1c(F)ccc([O-])c1F ZINC000355526108 380699620 /nfs/dbraw/zinc/69/96/20/380699620.db2.gz WTPOUVMDGQJKMM-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM Cc1cc(C)c2c(c1)N(C(=O)c1ccc(O)cc1[O-])CCC2 ZINC000171288128 291833035 /nfs/dbraw/zinc/83/30/35/291833035.db2.gz AGDIZFPTFHYWIL-UHFFFAOYSA-N -1 1 297.354 3.308 20 0 CGADMM COC1(CSc2nc(C3CC3)cc(=O)[n-]2)CCCC1 ZINC000436260485 533008497 /nfs/dbraw/zinc/00/84/97/533008497.db2.gz NCVSGYFSAJGFGA-UHFFFAOYSA-N -1 1 280.393 3.111 20 0 CGADMM CSc1cccc(NC(=O)c2cncc([O-])c2)c1C ZINC000334978956 533027671 /nfs/dbraw/zinc/02/76/71/533027671.db2.gz UMUUUMGSGSWXPH-UHFFFAOYSA-N -1 1 274.345 3.070 20 0 CGADMM CC(C)C[C@@H](C)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000312165626 542432930 /nfs/dbraw/zinc/43/29/30/542432930.db2.gz CEHWVGNRQZKDKL-CJNGLKHVSA-N -1 1 275.392 3.353 20 0 CGADMM Cc1csc(-c2nc3cccc(C)c3c(=O)[n-]2)n1 ZINC000352326341 542553552 /nfs/dbraw/zinc/55/35/52/542553552.db2.gz FSMMPHPRLLDLQU-UHFFFAOYSA-N -1 1 257.318 3.076 20 0 CGADMM CC[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCCO1 ZINC000281528280 195277551 /nfs/dbraw/zinc/27/75/51/195277551.db2.gz MABQMLKQSZBJHR-AWEZNQCLSA-N -1 1 299.370 3.187 20 0 CGADMM COc1ccc(C(=O)N(C)c2ccc3cc[nH]c3c2)c([O-])c1 ZINC000436996499 533287543 /nfs/dbraw/zinc/28/75/43/533287543.db2.gz LIBZESUKKPMXGX-UHFFFAOYSA-N -1 1 296.326 3.159 20 0 CGADMM C[C@H]1CN(Cc2cc(Cl)ccc2F)CC[C@H]1C(=O)[O-] ZINC000388843678 542605252 /nfs/dbraw/zinc/60/52/52/542605252.db2.gz XSEJYOVSVVIFOZ-JOYOIKCWSA-N -1 1 285.746 3.022 20 0 CGADMM CC(C)(NC(=O)c1ccc(Cl)cc1[O-])C(F)(F)F ZINC000393856623 542613685 /nfs/dbraw/zinc/61/36/85/542613685.db2.gz YDMBRGGFKSPRIM-UHFFFAOYSA-N -1 1 281.661 3.116 20 0 CGADMM CC[C@](C)(NCc1ccc(C(=O)[O-])cc1)c1nccs1 ZINC000263569613 131298686 /nfs/dbraw/zinc/29/86/86/131298686.db2.gz HPZSKJMJHCTYPC-HNNXBMFYSA-N -1 1 290.388 3.256 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(F)(F)F)n1 ZINC000461435754 542697262 /nfs/dbraw/zinc/69/72/62/542697262.db2.gz ZNAXFJFXIPLNEI-LURJTMIESA-N -1 1 266.288 3.178 20 0 CGADMM C[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1(C)C ZINC000290342318 392445285 /nfs/dbraw/zinc/44/52/85/392445285.db2.gz FLSPOMUYEBJGID-VIFPVBQESA-N -1 1 283.318 3.179 20 0 CGADMM CO[C@@H](C)c1nc(=NCCC2=CCCCCC2)s[n-]1 ZINC000509622078 392761229 /nfs/dbraw/zinc/76/12/29/392761229.db2.gz VXTFOHOMTXEJPY-NSHDSACASA-N -1 1 281.425 3.360 20 0 CGADMM CCC1(CN=c2nc([C@H](C)OC)[n-]s2)CCCCC1 ZINC000509619875 392761278 /nfs/dbraw/zinc/76/12/78/392761278.db2.gz PKEFOXWEWFCZOB-NSHDSACASA-N -1 1 283.441 3.440 20 0 CGADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000187458782 392789844 /nfs/dbraw/zinc/78/98/44/392789844.db2.gz USVHIHPCEHAJND-BXKDBHETSA-N -1 1 267.756 3.306 20 0 CGADMM C[C@H]1SCC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000380353424 392904226 /nfs/dbraw/zinc/90/42/26/392904226.db2.gz YXJZYPMHAGMGRX-QMTHXVAHSA-N -1 1 287.384 3.169 20 0 CGADMM CCOc1cc(C(=O)N2CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000192734823 392858554 /nfs/dbraw/zinc/85/85/54/392858554.db2.gz AGWUKVZYDHEIIP-SNVBAGLBSA-N -1 1 297.782 3.459 20 0 CGADMM CC[C@@H](C)Oc1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1 ZINC000491586292 542717800 /nfs/dbraw/zinc/71/78/00/542717800.db2.gz LVNNXQCGIXVYLH-LLVKDONJSA-N -1 1 295.342 3.162 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H](C)c2ccccc2C)n1 ZINC000195061924 392953736 /nfs/dbraw/zinc/95/37/36/392953736.db2.gz WWEKZQXIBHDDHG-LLVKDONJSA-N -1 1 274.389 3.494 20 0 CGADMM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000547387410 393110264 /nfs/dbraw/zinc/11/02/64/393110264.db2.gz RTXBNLKDCIPWLV-NSHDSACASA-N -1 1 293.388 3.290 20 0 CGADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1c([O-])cccc1F ZINC000547472754 393120073 /nfs/dbraw/zinc/12/00/73/393120073.db2.gz YQXVJTAZHCFMEZ-ZDUSSCGKSA-N -1 1 289.281 3.088 20 0 CGADMM Cc1cccc2c1CC[C@H]2NC(=O)c1c([O-])cccc1F ZINC000547794627 393150048 /nfs/dbraw/zinc/15/00/48/393150048.db2.gz SCLLVUJOEDBPPH-CQSZACIVSA-N -1 1 285.318 3.257 20 0 CGADMM [O-]c1cccc(CN2CCC[C@@H](OC(F)F)C2)c1Cl ZINC000646156445 393232598 /nfs/dbraw/zinc/23/25/98/393232598.db2.gz VGZBWKMGNQZLHT-SNVBAGLBSA-N -1 1 291.725 3.249 20 0 CGADMM Cc1ccc(NC(=O)c2cn[nH]c2-c2ccncc2)c(F)c1 ZINC000471687220 393291389 /nfs/dbraw/zinc/29/13/89/393291389.db2.gz IKAQKASFHWAQNS-UHFFFAOYSA-N -1 1 296.305 3.172 20 0 CGADMM Cc1ccnc(N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000416436905 393311628 /nfs/dbraw/zinc/31/16/28/393311628.db2.gz FFLPZOSNKICMTA-LLVKDONJSA-N -1 1 250.342 3.081 20 0 CGADMM O=C(NC1C2CC3CC(C2)CC1C3)c1ccc([O-])c(F)c1 ZINC000647222263 393395008 /nfs/dbraw/zinc/39/50/08/393395008.db2.gz WWQLEVSPUPMOIE-UHFFFAOYSA-N -1 1 289.350 3.086 20 0 CGADMM CCCCC[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000280773966 393345234 /nfs/dbraw/zinc/34/52/34/393345234.db2.gz MVEMLMLXPPLGBY-VIFPVBQESA-N -1 1 271.307 3.369 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2ccc([O-])c(F)c2)CC12CC=CC2 ZINC000649139657 393355115 /nfs/dbraw/zinc/35/51/15/393355115.db2.gz FWRHSDKXWOAFQY-HNNXBMFYSA-N -1 1 289.350 3.348 20 0 CGADMM Cc1[nH]nc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1C ZINC000445444454 393793974 /nfs/dbraw/zinc/79/39/74/393793974.db2.gz FYPSFSKMDZWJKS-UHFFFAOYSA-N -1 1 290.710 3.103 20 0 CGADMM C[C@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)c1cccnc1 ZINC000445476370 393799023 /nfs/dbraw/zinc/79/90/23/393799023.db2.gz BQMYHWRWRVDNHD-SNVBAGLBSA-N -1 1 299.305 3.323 20 0 CGADMM CCOc1cc(C(=O)N2CC[C@H]2C2CC2)cc(Cl)c1[O-] ZINC000453037078 394150730 /nfs/dbraw/zinc/15/07/30/394150730.db2.gz OVDMTZLKRUQWET-LBPRGKRZSA-N -1 1 295.766 3.069 20 0 CGADMM COc1cc(C)ccc1C(=O)Nc1c([O-])cccc1F ZINC000672910785 543230634 /nfs/dbraw/zinc/23/06/34/543230634.db2.gz DRYSNMKETBJPFD-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM Cc1cccc(Cn2[n-]c3c(c2=O)CCCCC3)c1 ZINC000109522703 397653702 /nfs/dbraw/zinc/65/37/02/397653702.db2.gz BRYMODZNCJZLJC-AWEZNQCLSA-N -1 1 256.349 3.274 20 0 CGADMM CC(C)N(Cc1cccs1)Cc1ccc(C(=O)[O-])cn1 ZINC000094762436 397642011 /nfs/dbraw/zinc/64/20/11/397642011.db2.gz ZMRUVVCQGXGGOM-UHFFFAOYSA-N -1 1 290.388 3.252 20 0 CGADMM CCC[C@H](NC(=O)c1ccc([O-])c(F)c1)C(C)(C)C ZINC000650864678 397936987 /nfs/dbraw/zinc/93/69/87/397936987.db2.gz QCWLMHRWDTXVNH-ZDUSSCGKSA-N -1 1 267.344 3.476 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCCOC(C)(C)C)n1 ZINC000674922284 543306804 /nfs/dbraw/zinc/30/68/04/543306804.db2.gz JERBFQUCNAXULS-UHFFFAOYSA-N -1 1 284.425 3.432 20 0 CGADMM O=c1nc([C@@H]2CCCO2)[n-]c2sc(C(F)(F)F)cc21 ZINC000333162722 296594154 /nfs/dbraw/zinc/59/41/54/296594154.db2.gz MCQBMPMJYQWSLM-LURJTMIESA-N -1 1 290.266 3.267 20 0 CGADMM Cc1noc(C)c1N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000678313931 543514066 /nfs/dbraw/zinc/51/40/66/543514066.db2.gz JZXKTINNIWPFHJ-UHFFFAOYSA-N -1 1 288.347 3.397 20 0 CGADMM O=C(Cc1cc2ccccc2o1)Nc1c([O-])cccc1F ZINC000678374557 543519155 /nfs/dbraw/zinc/51/91/55/543519155.db2.gz QRGKTFWGFIDBNM-UHFFFAOYSA-N -1 1 285.274 3.459 20 0 CGADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C)cc2)o1 ZINC000426783586 292197609 /nfs/dbraw/zinc/19/76/09/292197609.db2.gz MOKZSXPYJUBQQR-CQSZACIVSA-N -1 1 273.332 3.202 20 0 CGADMM Cc1cc(CN(C)C(=O)c2ccc3ccccc3c2[O-])no1 ZINC000078680019 287051069 /nfs/dbraw/zinc/05/10/69/287051069.db2.gz UUJUSRWAMFKVNA-UHFFFAOYSA-N -1 1 296.326 3.114 20 0 CGADMM Cc1nc2cc(NC(=O)c3cc(F)ccc3[O-])ccc2o1 ZINC000081933638 287077677 /nfs/dbraw/zinc/07/76/77/287077677.db2.gz ZQBCLRWAKIVZFX-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM Cc1ncsc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082192936 165168994 /nfs/dbraw/zinc/16/89/94/165168994.db2.gz RJVREBLBICMULQ-UHFFFAOYSA-N -1 1 268.725 3.063 20 0 CGADMM COc1ccc(-c2nc(Cc3ccccc3)no2)c([O-])c1 ZINC000109037012 287127191 /nfs/dbraw/zinc/12/71/91/287127191.db2.gz GJVINEKWDZAEMJ-UHFFFAOYSA-N -1 1 282.299 3.042 20 0 CGADMM Cc1conc1[N-]C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000123987169 287227974 /nfs/dbraw/zinc/22/79/74/287227974.db2.gz PPEXAKWRXKZKKU-UHFFFAOYSA-N -1 1 287.250 3.029 20 0 CGADMM CCC(C)(C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000035151777 172015370 /nfs/dbraw/zinc/01/53/70/172015370.db2.gz YZUWKFLTIPWSQX-UHFFFAOYSA-N -1 1 257.333 3.464 20 0 CGADMM C[C@H](Cc1ccsc1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000048482124 416453475 /nfs/dbraw/zinc/45/34/75/416453475.db2.gz VVWBFKIIDJTYNG-SECBINFHSA-N -1 1 295.791 3.468 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2F)s1 ZINC000048652607 416455719 /nfs/dbraw/zinc/45/57/19/416455719.db2.gz UWQJPQIWFOMKMA-UHFFFAOYSA-N -1 1 285.365 3.250 20 0 CGADMM C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000311445366 416532266 /nfs/dbraw/zinc/53/22/66/416532266.db2.gz JZMSWPXNTSNLPO-MWLCHTKSSA-N -1 1 285.746 3.022 20 0 CGADMM O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(O)cc1[O-] ZINC000219963909 260078669 /nfs/dbraw/zinc/07/86/69/260078669.db2.gz WUPNBUHUXBQERW-UHFFFAOYSA-N -1 1 297.232 3.369 20 0 CGADMM O=C([O-])[C@H](NCc1cc(F)c(F)cc1F)c1ccccc1 ZINC000236456226 224694849 /nfs/dbraw/zinc/69/48/49/224694849.db2.gz XZXIOXUOWZFWIP-CQSZACIVSA-N -1 1 295.260 3.019 20 0 CGADMM O=C(Nc1ccc(F)cc1F)c1ccc([O-])c(F)c1 ZINC000681016226 543756478 /nfs/dbraw/zinc/75/64/78/543756478.db2.gz YTEGUKKKWVVCDD-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM C[C@H](CCc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000681015782 543756591 /nfs/dbraw/zinc/75/65/91/543756591.db2.gz QWPUYUOWKZYAQT-GFCCVEGCSA-N -1 1 287.334 3.282 20 0 CGADMM O=C(NCCC1=CCCCC1)c1ccc([O-])c(F)c1 ZINC000681016615 543756740 /nfs/dbraw/zinc/75/67/40/543756740.db2.gz VPFNCGWLBGXUBK-UHFFFAOYSA-N -1 1 263.312 3.152 20 0 CGADMM CCOc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681014989 543756853 /nfs/dbraw/zinc/75/68/53/543756853.db2.gz VMOKIQONYYSMIN-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM CCn1c2ccccc2nc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681016744 543757736 /nfs/dbraw/zinc/75/77/36/543757736.db2.gz DZEBHJZSHQCAJD-UHFFFAOYSA-N -1 1 299.305 3.153 20 0 CGADMM CC(C)(NC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000681025498 543758485 /nfs/dbraw/zinc/75/84/85/543758485.db2.gz YZRBJCKJXIUWCX-UHFFFAOYSA-N -1 1 273.307 3.196 20 0 CGADMM C[C@@H](CN(C)C(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000681039992 543759462 /nfs/dbraw/zinc/75/94/62/543759462.db2.gz WJGFSFUPYJTLTK-LBPRGKRZSA-N -1 1 287.334 3.407 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N(C1CC1)C1CCCC1 ZINC000681042390 543759659 /nfs/dbraw/zinc/75/96/59/543759659.db2.gz MLMLAFMSXXZGAE-UHFFFAOYSA-N -1 1 263.312 3.079 20 0 CGADMM Cc1ccc(CC[C@@H](C)NC(=O)c2ccc([O-])c(F)c2)o1 ZINC000681051026 543761405 /nfs/dbraw/zinc/76/14/05/543761405.db2.gz XYXIJZINQAXCKF-SNVBAGLBSA-N -1 1 291.322 3.184 20 0 CGADMM Cc1cccc(C)c1CCNC(=O)c1ccc([O-])c(F)c1 ZINC000681057056 543762120 /nfs/dbraw/zinc/76/21/20/543762120.db2.gz JUVKMWMHNSJSLA-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)c(C)c1O ZINC000681056065 543762566 /nfs/dbraw/zinc/76/25/66/543762566.db2.gz IZOJKVPUTPEQKB-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM C[C@]1(CNC(=O)c2cc(Cl)ccc2[O-])CCCS1 ZINC000130667996 287360549 /nfs/dbraw/zinc/36/05/49/287360549.db2.gz SNZNACQCDRIHAE-CYBMUJFWSA-N -1 1 285.796 3.061 20 0 CGADMM COc1cc(C(=O)N2CCC[C@H]2C2CC2)cc(Cl)c1[O-] ZINC000682361676 543836826 /nfs/dbraw/zinc/83/68/26/543836826.db2.gz KQVKBXNAEMGVBU-LBPRGKRZSA-N -1 1 295.766 3.069 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000684875595 544035028 /nfs/dbraw/zinc/03/50/28/544035028.db2.gz KNDSWUSDABVWNN-PHIMTYICSA-N -1 1 299.292 3.283 20 0 CGADMM Cc1ccnc(CSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000685574861 544085736 /nfs/dbraw/zinc/08/57/36/544085736.db2.gz GJWIHNCNVIXDJX-UHFFFAOYSA-N -1 1 283.303 3.116 20 0 CGADMM C[C@H]1CCC[C@H](OCC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000654308797 418959299 /nfs/dbraw/zinc/95/92/99/418959299.db2.gz AUMSPFMJNVGUIL-UWVGGRQHSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000654308799 418959865 /nfs/dbraw/zinc/95/98/65/418959865.db2.gz AUMSPFMJNVGUIL-ZJUUUORDSA-N -1 1 299.317 3.204 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ccc(C)nc2)n1 ZINC000655458766 419052162 /nfs/dbraw/zinc/05/21/62/419052162.db2.gz TZKYOWHGDKOYIL-UHFFFAOYSA-N -1 1 275.377 3.130 20 0 CGADMM CC[C@H](C)CC[N-]S(=O)(=O)c1sccc1Cl ZINC000657080867 419227335 /nfs/dbraw/zinc/22/73/35/419227335.db2.gz GQAHDUCMPAXUPN-QMMMGPOBSA-N -1 1 281.830 3.116 20 0 CGADMM CC(C)(C(=O)[O-])c1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 ZINC000657203054 419230809 /nfs/dbraw/zinc/23/08/09/419230809.db2.gz IQDJCKAGTOOQHC-UHFFFAOYSA-N -1 1 298.264 3.458 20 0 CGADMM Cc1cnc(S[C@H]2CCc3ccccc32)[n-]c1=O ZINC000657261880 419238955 /nfs/dbraw/zinc/23/89/55/419238955.db2.gz OHSYEXWJJULDSR-LBPRGKRZSA-N -1 1 258.346 3.270 20 0 CGADMM Cc1cc(C)cc(OCCSc2ncc(C)c(=O)[n-]2)c1 ZINC000657261585 419239105 /nfs/dbraw/zinc/23/91/05/419239105.db2.gz GYKBJPRXKJYKPE-UHFFFAOYSA-N -1 1 290.388 3.279 20 0 CGADMM CCc1nc(SCc2ccccc2OC)[n-]c(=O)c1C ZINC000657263893 419240344 /nfs/dbraw/zinc/24/03/44/419240344.db2.gz BWPYYPWOUAVCRB-UHFFFAOYSA-N -1 1 290.388 3.354 20 0 CGADMM O=C(NCc1ccc(Cl)cc1F)c1ccc([O-])cc1F ZINC000188622607 264237846 /nfs/dbraw/zinc/23/78/46/264237846.db2.gz BHVXOOYCDANIGC-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(Cl)cc2F)c([O-])c1 ZINC000042336106 270032628 /nfs/dbraw/zinc/03/26/28/270032628.db2.gz WZTZVFFXAROMNS-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CC1(C)CCCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000228861465 270088118 /nfs/dbraw/zinc/08/81/18/270088118.db2.gz SYPHHJIOWKISTK-LBPRGKRZSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@@H](CNC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000230658959 270088979 /nfs/dbraw/zinc/08/89/79/270088979.db2.gz QWZJJGSBEOQULL-NSHDSACASA-N -1 1 273.307 3.065 20 0 CGADMM CCC[C@@H]1CCCCN1C(=O)c1ccc([O-])cc1F ZINC000230661425 270089072 /nfs/dbraw/zinc/08/90/72/270089072.db2.gz SUZGLBLYXUEFFB-LLVKDONJSA-N -1 1 265.328 3.326 20 0 CGADMM CC[C@@](C)(C(=O)[O-])N(Cc1nc(C)c(C)s1)CC1CC1 ZINC000521273193 270101418 /nfs/dbraw/zinc/10/14/18/270101418.db2.gz LSHPPJWEIHKSKB-HNNXBMFYSA-N -1 1 296.436 3.225 20 0 CGADMM CCc1cc(CNC(=O)c2ccc3ccccc3c2[O-])on1 ZINC000524979983 270116370 /nfs/dbraw/zinc/11/63/70/270116370.db2.gz ICYUKYMIFFYVGU-UHFFFAOYSA-N -1 1 296.326 3.026 20 0 CGADMM CC(C)Cc1nnc([N-]C(=O)c2conc2C(C)C)s1 ZINC000528132197 270155258 /nfs/dbraw/zinc/15/52/58/270155258.db2.gz CEDCKVXKOSBPEP-UHFFFAOYSA-N -1 1 294.380 3.100 20 0 CGADMM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531486504 270207412 /nfs/dbraw/zinc/20/74/12/270207412.db2.gz XTMHICODNJJLPH-WCQYABFASA-N -1 1 293.388 3.290 20 0 CGADMM O=C(CCc1cc(F)ccc1F)Nc1ccc(F)cc1[O-] ZINC000532622248 270217951 /nfs/dbraw/zinc/21/79/51/270217951.db2.gz PMVFMBCZIWONFG-UHFFFAOYSA-N -1 1 295.260 3.381 20 0 CGADMM CC(C)C[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000396783880 288016537 /nfs/dbraw/zinc/01/65/37/288016537.db2.gz OUTPIXUOBBOPEX-GFCCVEGCSA-N -1 1 265.328 3.182 20 0 CGADMM C[C@H](CNC(=O)c1ccc(Cl)cc1[O-])CC(F)(F)F ZINC000396989945 288019728 /nfs/dbraw/zinc/01/97/28/288019728.db2.gz BNEZHHCQKHQCAK-ZETCQYMHSA-N -1 1 295.688 3.364 20 0 CGADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1c1ccccc1 ZINC000174231053 278420005 /nfs/dbraw/zinc/42/00/05/278420005.db2.gz GVEOVPMDJLQCBK-DZGCQCFKSA-N -1 1 296.370 3.053 20 0 CGADMM COCCC(C)(C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000398315032 288042806 /nfs/dbraw/zinc/04/28/06/288042806.db2.gz CFCNGXLZYWCDMA-UHFFFAOYSA-N -1 1 287.359 3.090 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCSC[C@H]1C1CC1 ZINC000456176433 280162814 /nfs/dbraw/zinc/16/28/14/280162814.db2.gz IZUIKCHQOBSTFY-LBPRGKRZSA-N -1 1 297.807 3.013 20 0 CGADMM O=c1nc(-c2ccco2)[n-]c2sc3c(c21)CCCS3 ZINC000047682094 280385907 /nfs/dbraw/zinc/38/59/07/280385907.db2.gz CNBGQCRQTUMXPV-UHFFFAOYSA-N -1 1 290.369 3.283 20 0 CGADMM CC1(C)C[C@H](C(=O)Nc2ccc([O-])c(F)c2F)C(C)(C)O1 ZINC000529466771 288249097 /nfs/dbraw/zinc/24/90/97/288249097.db2.gz UCGFLNAIPOKCLN-MRVPVSSYSA-N -1 1 299.317 3.203 20 0 CGADMM CC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)COC1 ZINC000529540302 288261627 /nfs/dbraw/zinc/26/16/27/288261627.db2.gz XVSCXODZZLTCLN-UHFFFAOYSA-N -1 1 291.734 3.174 20 0 CGADMM O=C(NCC[C@@H]1CCCOC1)c1cc2ccccc2cc1[O-] ZINC000529603289 288270925 /nfs/dbraw/zinc/27/09/25/288270925.db2.gz VUCKAOACVHNFCH-ZDUSSCGKSA-N -1 1 299.370 3.092 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C1CC1)C1CC1 ZINC000535696391 288455732 /nfs/dbraw/zinc/45/57/32/288455732.db2.gz KITWFRLQQUQLQW-UHFFFAOYSA-N -1 1 297.358 3.157 20 0 CGADMM CCC(CC)N(C(=O)c1cc(F)ccc1[O-])C1CC1 ZINC000537638828 288541183 /nfs/dbraw/zinc/54/11/83/288541183.db2.gz XGJOJJQYLJXTPL-UHFFFAOYSA-N -1 1 265.328 3.325 20 0 CGADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000177069873 288964789 /nfs/dbraw/zinc/96/47/89/288964789.db2.gz HFFDPQQDFRTKDB-NWDGAFQWSA-N -1 1 269.344 3.416 20 0 CGADMM Cc1ccnc(-c2nc(=O)c3c(C(C)C)csc3[n-]2)n1 ZINC000432514041 292758827 /nfs/dbraw/zinc/75/88/27/292758827.db2.gz DGLOTKVQPKCUQU-UHFFFAOYSA-N -1 1 286.360 3.286 20 0 CGADMM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ncccc2[O-])C1 ZINC000342722203 300075104 /nfs/dbraw/zinc/07/51/04/300075104.db2.gz ALGPENQOXSEYNF-DZGCQCFKSA-N -1 1 296.370 3.401 20 0 CGADMM Cc1cnc(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)c([O-])c1 ZINC000333305920 302331257 /nfs/dbraw/zinc/33/12/57/302331257.db2.gz CTUVYJGWNXGGHA-HNNXBMFYSA-N -1 1 288.391 3.136 20 0 CGADMM O=C(N[C@H]1CCC[C@@H](F)C1)c1cc(Cl)ccc1[O-] ZINC000565002411 322053960 /nfs/dbraw/zinc/05/39/60/322053960.db2.gz AXHAEJGKIWHHKP-ZJUUUORDSA-N -1 1 271.719 3.056 20 0 CGADMM C[C@H]1CN(CCCCCC(=O)[O-])C[C@H](c2ccccc2)O1 ZINC000568772454 322222133 /nfs/dbraw/zinc/22/21/33/322222133.db2.gz SNOVCWSYJMPUDB-GOEBONIOSA-N -1 1 291.391 3.093 20 0 CGADMM CC(C)N(Cc1ccco1)Cc1ccc(C(=O)[O-])s1 ZINC000568872455 322225577 /nfs/dbraw/zinc/22/55/77/322225577.db2.gz OZMVOAGDCIKPBK-UHFFFAOYSA-N -1 1 279.361 3.450 20 0 CGADMM CCCCN(CCOCC(=O)[O-])Cc1ccccc1Cl ZINC000569347941 322244440 /nfs/dbraw/zinc/24/44/40/322244440.db2.gz XSARESQJESPHIY-UHFFFAOYSA-N -1 1 299.798 3.043 20 0 CGADMM C[C@@]1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC=CCC1 ZINC000569366460 322245464 /nfs/dbraw/zinc/24/54/64/322245464.db2.gz ZUJMMWDDUHJLDK-QGZVFWFLSA-N -1 1 297.358 3.467 20 0 CGADMM C[C@H]1CCN(Cc2cc3ccccc3o2)[C@H](C(=O)[O-])C1 ZINC000570933946 322285834 /nfs/dbraw/zinc/28/58/34/322285834.db2.gz SGRPNDROBDXHSF-FZMZJTMJSA-N -1 1 273.332 3.118 20 0 CGADMM Cc1ccc(C)c(CN(C)Cc2ccc(C(=O)[O-])cn2)c1 ZINC000571172311 322291938 /nfs/dbraw/zinc/29/19/38/322291938.db2.gz UWPKFRARUODHIH-UHFFFAOYSA-N -1 1 284.359 3.029 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2c(F)ccc([O-])c2F)[C@@H]1C ZINC000571206041 322292778 /nfs/dbraw/zinc/29/27/78/322292778.db2.gz IPOWWLUWNALJEL-MXWKQRLJSA-N -1 1 297.345 3.473 20 0 CGADMM CC1(C)C[C@@H]1NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000572342364 322332089 /nfs/dbraw/zinc/33/20/89/322332089.db2.gz DRPMQLPYZFWKQF-VIFPVBQESA-N -1 1 295.795 3.320 20 0 CGADMM CCc1nc(SCC[C@H]2CCCCO2)[n-]c(=O)c1C ZINC000582618116 329118887 /nfs/dbraw/zinc/11/88/87/329118887.db2.gz UKYBBONSTXACBN-LLVKDONJSA-N -1 1 282.409 3.104 20 0 CGADMM Cc1cc(CN2CCC[C@@H]2c2ccco2)oc1C(=O)[O-] ZINC000576353608 335193346 /nfs/dbraw/zinc/19/33/46/335193346.db2.gz ZHUDLDJTKMVDFV-GFCCVEGCSA-N -1 1 275.304 3.216 20 0 CGADMM F[C@@H]1CCC[C@H](N=c2[n-]c(C(F)(F)F)cs2)C1 ZINC000576699334 335235962 /nfs/dbraw/zinc/23/59/62/335235962.db2.gz LZWXRTTVJMCQEA-RQJHMYQMSA-N -1 1 268.279 3.276 20 0 CGADMM Cc1oc(-c2cccs2)nc1CN(C)[C@@H](C)CC(=O)[O-] ZINC000577125954 335305344 /nfs/dbraw/zinc/30/53/44/335305344.db2.gz VEDNOEYDHYVTEL-VIFPVBQESA-N -1 1 294.376 3.007 20 0 CGADMM COc1cc(-c2nc([C@@H]3C[C@@H]3C)no2)cc(Cl)c1[O-] ZINC000350605243 335519815 /nfs/dbraw/zinc/51/98/15/335519815.db2.gz ZKRHGTUUGJUHFA-POYBYMJQSA-N -1 1 280.711 3.228 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)c(F)c1 ZINC000180018945 335541533 /nfs/dbraw/zinc/54/15/33/335541533.db2.gz INTPLBPKWZJCDW-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC(C)[C@H](C)SCCC(=O)c1ccc([O-])cc1O ZINC000581261271 336033841 /nfs/dbraw/zinc/03/38/41/336033841.db2.gz NYFCKBRAHCJGHR-JTQLQIEISA-N -1 1 268.378 3.448 20 0 CGADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1ccccc1 ZINC000195451977 336054096 /nfs/dbraw/zinc/05/40/96/336054096.db2.gz XZCFHORZCSEITG-UHFFFAOYSA-N -1 1 283.299 3.425 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H](C)[C@H]2CC3CCC2CC3)s[n-]1 ZINC000381924550 336077650 /nfs/dbraw/zinc/07/76/50/336077650.db2.gz OQSMMLQTLYHCRK-RQRKLZJJSA-N -1 1 295.452 3.294 20 0 CGADMM Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(C)cn1 ZINC000581524088 336094723 /nfs/dbraw/zinc/09/47/23/336094723.db2.gz BZZKMMQANOWPQZ-UHFFFAOYSA-N -1 1 291.738 3.123 20 0 CGADMM Cc1ccc(CCNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000436798775 533803198 /nfs/dbraw/zinc/80/31/98/533803198.db2.gz MZUAIYPEBIUBIA-UHFFFAOYSA-N -1 1 289.762 3.327 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)CC2CCCCC2)c1 ZINC000436503537 534230917 /nfs/dbraw/zinc/23/09/17/534230917.db2.gz HCPKLTUXBYETFZ-UHFFFAOYSA-N -1 1 291.347 3.088 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H]2CCCC2(F)F)n1 ZINC000450914727 536154083 /nfs/dbraw/zinc/15/40/83/536154083.db2.gz XQADSZHKCMXWHL-MRVPVSSYSA-N -1 1 274.336 3.272 20 0 CGADMM O=C([O-])[C@@H](NCc1cc(F)cc(F)c1)c1ccccc1F ZINC000426787230 534516036 /nfs/dbraw/zinc/51/60/36/534516036.db2.gz CFASBZHIJBWACH-AWEZNQCLSA-N -1 1 295.260 3.019 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCc2c1c(F)ccc2F ZINC000436900019 534667353 /nfs/dbraw/zinc/66/73/53/534667353.db2.gz ASGCAZJDWGSJBX-UHFFFAOYSA-N -1 1 293.244 3.012 20 0 CGADMM CC[C@@](C)(NC(=O)c1cc(F)ccc1[O-])c1nccs1 ZINC000094168771 523653398 /nfs/dbraw/zinc/65/33/98/523653398.db2.gz SJCFXIPIAGKDLQ-CQSZACIVSA-N -1 1 294.351 3.043 20 0 CGADMM O=C(c1ccccc1[O-])N1CCc2cc(Cl)ccc21 ZINC000436554953 534749934 /nfs/dbraw/zinc/74/99/34/534749934.db2.gz KXYXKPCRHWZHCI-UHFFFAOYSA-N -1 1 273.719 3.249 20 0 CGADMM O=C(Nc1ccc(OC(F)F)cc1F)c1ccccc1[O-] ZINC000436628323 534832650 /nfs/dbraw/zinc/83/26/50/534832650.db2.gz YNGXLHGGKYFJNM-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM CSCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000184874086 525517759 /nfs/dbraw/zinc/51/77/59/525517759.db2.gz DOMLNNCQIQFBIZ-UHFFFAOYSA-N -1 1 292.429 3.200 20 0 CGADMM CC(C)Oc1ccc(N(C)C(=O)c2ccccc2[O-])cc1 ZINC000191651055 528175361 /nfs/dbraw/zinc/17/53/61/528175361.db2.gz WVPQQQHGMTVOAD-UHFFFAOYSA-N -1 1 285.343 3.456 20 0 CGADMM CCOc1cc(C(=O)N(C)[C@@H](C)CC)cc(Cl)c1[O-] ZINC000358133891 528209007 /nfs/dbraw/zinc/20/90/07/528209007.db2.gz RKVRDKNFPXNNSW-VIFPVBQESA-N -1 1 285.771 3.315 20 0 CGADMM CCCc1csc(NC(=O)c2ccccc2[O-])n1 ZINC000436621474 528677452 /nfs/dbraw/zinc/67/74/52/528677452.db2.gz BNILWVULFLSIGJ-UHFFFAOYSA-N -1 1 262.334 3.054 20 0 CGADMM CC1(C)CC[C@H](CSc2nc(C3CC3)cc(=O)[n-]2)O1 ZINC000436264147 529044309 /nfs/dbraw/zinc/04/43/09/529044309.db2.gz UZTNAKNEXTYDFM-SNVBAGLBSA-N -1 1 280.393 3.109 20 0 CGADMM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ncc(C)cc1[O-] ZINC000427465428 529267721 /nfs/dbraw/zinc/26/77/21/529267721.db2.gz HOSPVOLCEJGIGJ-QWHCGFSZSA-N -1 1 276.380 3.136 20 0 CGADMM CCCC[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000262705691 534933857 /nfs/dbraw/zinc/93/38/57/534933857.db2.gz MRDCTQLFJYJVOX-CYBMUJFWSA-N -1 1 261.321 3.166 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H](C)c2ccccc2)n1 ZINC000005154964 536093519 /nfs/dbraw/zinc/09/35/19/536093519.db2.gz HXPLJOFPCDKBLS-SNVBAGLBSA-N -1 1 260.362 3.186 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H](C)CCC=C(C)C)s[n-]1 ZINC000450681210 536499043 /nfs/dbraw/zinc/49/90/43/536499043.db2.gz ZXGJTJJZCFAJHH-GHMZBOCLSA-N -1 1 269.414 3.214 20 0 CGADMM COc1cc(C(=O)Nc2scnc2C)cc(Cl)c1[O-] ZINC000487427473 536540255 /nfs/dbraw/zinc/54/02/55/536540255.db2.gz GGDFRQDBWLSSSY-UHFFFAOYSA-N -1 1 298.751 3.071 20 0 CGADMM CCc1ccc(CN[C@H](CC(=O)[O-])c2cccs2)o1 ZINC000051723645 571887444 /nfs/dbraw/zinc/88/74/44/571887444.db2.gz AXLXKWZROBKCJL-GFCCVEGCSA-N -1 1 279.361 3.209 20 0 CGADMM CC(C)OCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730361755 572346524 /nfs/dbraw/zinc/34/65/24/572346524.db2.gz GJLVXYFVBBBZCA-UHFFFAOYSA-N -1 1 293.146 3.281 20 0 CGADMM Cc1oc(-c2ccccc2F)nc1C(=O)[N-]c1cnoc1 ZINC000737528996 572348251 /nfs/dbraw/zinc/34/82/51/572348251.db2.gz BMPKTAMGDTWAMH-UHFFFAOYSA-N -1 1 287.250 3.029 20 0 CGADMM CCCc1cc(=O)[n-]c(SCC(F)(F)C(F)F)n1 ZINC000733870926 572608739 /nfs/dbraw/zinc/60/87/39/572608739.db2.gz PZERRKMGRIQJMZ-UHFFFAOYSA-N -1 1 284.278 3.127 20 0 CGADMM CC(C)(NCc1occc1C(=O)[O-])c1ccc(F)cc1 ZINC000736340893 572783073 /nfs/dbraw/zinc/78/30/73/572783073.db2.gz AXHWPSWRMKNJFS-UHFFFAOYSA-N -1 1 277.295 3.142 20 0 CGADMM CC[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)C(C)C ZINC000820925924 599492580 /nfs/dbraw/zinc/49/25/80/599492580.db2.gz NGSYBNLODVJFFD-LBPRGKRZSA-N -1 1 296.378 3.261 20 0 CGADMM CC[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)C(C)C ZINC000820925924 599492582 /nfs/dbraw/zinc/49/25/82/599492582.db2.gz NGSYBNLODVJFFD-LBPRGKRZSA-N -1 1 296.378 3.261 20 0 CGADMM CC[C@H](c1ccc(Cl)cc1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000829020929 601444579 /nfs/dbraw/zinc/44/45/79/601444579.db2.gz NGEOWVBKIYRDPN-TZMCWYRMSA-N -1 1 285.746 3.290 20 0 CGADMM C[C@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000113395619 601499813 /nfs/dbraw/zinc/49/98/13/601499813.db2.gz FMDGHRLXTAYMJG-KWQFWETISA-N -1 1 288.174 3.146 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(Cl)cc3F)c(=O)c21 ZINC000899360355 620664814 /nfs/dbraw/zinc/66/48/14/620664814.db2.gz JQWDKQNPOCFWSN-JMCQJSRRSA-N -1 1 266.703 3.228 20 0 CGADMM Cc1cccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)c1Cl ZINC000899362614 620669796 /nfs/dbraw/zinc/66/97/96/620669796.db2.gz YJEMWSJJSDIIPD-PRHODGIISA-N -1 1 262.740 3.397 20 0 CGADMM C[C@@H](c1ccccn1)N(C)Cc1ccsc1C(=O)[O-] ZINC000833548688 604564414 /nfs/dbraw/zinc/56/44/14/604564414.db2.gz HBGVJYWBVJNNSE-JTQLQIEISA-N -1 1 276.361 3.034 20 0 CGADMM CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc(Cl)c(F)c1 ZINC000833694607 604680712 /nfs/dbraw/zinc/68/07/12/604680712.db2.gz PBGZGZHFLUVIEN-UHFFFAOYSA-N -1 1 296.729 3.137 20 0 CGADMM O=C([O-])c1cccc(CNC2(c3ccccc3F)CC2)c1 ZINC000821551496 605141013 /nfs/dbraw/zinc/14/10/13/605141013.db2.gz KGSYDOPEVFYOAT-UHFFFAOYSA-N -1 1 285.318 3.303 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CN[C@@H](CC(C)(C)C)C(=O)[O-])o1 ZINC000833604549 605152824 /nfs/dbraw/zinc/15/28/24/605152824.db2.gz JSUCMAGOABBDJH-WXHSDQCUSA-N -1 1 279.380 3.382 20 0 CGADMM O=C([O-])Nc1cccc(CN2CCOc3ccccc3C2)c1 ZINC000834268208 605594357 /nfs/dbraw/zinc/59/43/57/605594357.db2.gz GUSQSHJHJSYBLZ-UHFFFAOYSA-N -1 1 298.342 3.171 20 0 CGADMM Cc1occc1CN[C@@H]1C[C@H](NC(=O)[O-])c2ccccc21 ZINC000833939172 605793826 /nfs/dbraw/zinc/79/38/26/605793826.db2.gz ROGYOTUZYYHNMD-CABCVRRESA-N -1 1 286.331 3.131 20 0 CGADMM CC(C)[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000820025889 606442773 /nfs/dbraw/zinc/44/27/73/606442773.db2.gz FARJPQSQMAROQF-HNNXBMFYSA-N -1 1 294.362 3.071 20 0 CGADMM CC(C)[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000820025889 606442774 /nfs/dbraw/zinc/44/27/74/606442774.db2.gz FARJPQSQMAROQF-HNNXBMFYSA-N -1 1 294.362 3.071 20 0 CGADMM Cc1ccc(C)c(Sc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826285083 607894797 /nfs/dbraw/zinc/89/47/97/607894797.db2.gz PEWVAOBKGOQMTK-UHFFFAOYSA-N -1 1 283.360 3.030 20 0 CGADMM Cc1ccc(C)c(Sc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826285083 607894798 /nfs/dbraw/zinc/89/47/98/607894798.db2.gz PEWVAOBKGOQMTK-UHFFFAOYSA-N -1 1 283.360 3.030 20 0 CGADMM CC[C@H](C)CSc1snc(Cl)c1-c1nnn[n-]1 ZINC000825067955 608188554 /nfs/dbraw/zinc/18/85/54/608188554.db2.gz OEAUCIWTMNZGKD-YFKPBYRVSA-N -1 1 289.817 3.115 20 0 CGADMM CC[C@H](C)CSc1snc(Cl)c1-c1nn[n-]n1 ZINC000825067955 608188557 /nfs/dbraw/zinc/18/85/57/608188557.db2.gz OEAUCIWTMNZGKD-YFKPBYRVSA-N -1 1 289.817 3.115 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H](C2CC2)C1 ZINC000811531696 617637936 /nfs/dbraw/zinc/63/79/36/617637936.db2.gz RGHXMXOQPMRTBA-LLVKDONJSA-N -1 1 279.767 3.308 20 0 CGADMM CCOc1ccc(CN[C@H](CC(=O)[O-])c2cccs2)o1 ZINC000900031966 620748680 /nfs/dbraw/zinc/74/86/80/620748680.db2.gz DSSLTIJAUFORLA-LLVKDONJSA-N -1 1 295.360 3.045 20 0 CGADMM CC(C)(C)c1ccc(NC(=O)c2ccc([O-])cc2F)cn1 ZINC000890794252 617857689 /nfs/dbraw/zinc/85/76/89/617857689.db2.gz FCNZAFDCSVOTJB-UHFFFAOYSA-N -1 1 288.322 3.476 20 0 CGADMM Cc1ncc(CN(C)C(=O)c2c([O-])cccc2Cl)s1 ZINC000049091927 618058125 /nfs/dbraw/zinc/05/81/25/618058125.db2.gz DGBJDXUCEWNYEM-UHFFFAOYSA-N -1 1 296.779 3.083 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ccnc(Cl)c2)n1 ZINC000050165601 618063831 /nfs/dbraw/zinc/06/38/31/618063831.db2.gz NBYIOMKBFQENOG-UHFFFAOYSA-N -1 1 295.795 3.063 20 0 CGADMM O=C([N-]OC1CCCCC1)c1c(F)c(F)cc(F)c1F ZINC000779322755 618121735 /nfs/dbraw/zinc/12/17/35/618121735.db2.gz XEJJYANWZHIOOU-UHFFFAOYSA-N -1 1 291.244 3.237 20 0 CGADMM Cc1cc(C)c(NC(=O)c2cnc(C3CC3)[n-]c2=O)c(C)c1 ZINC000900306389 620778964 /nfs/dbraw/zinc/77/89/64/620778964.db2.gz XPMIGBRRDXQTQP-UHFFFAOYSA-N -1 1 297.358 3.237 20 0 CGADMM O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1ccc([O-])c(Cl)c1 ZINC000935021037 618719555 /nfs/dbraw/zinc/71/95/55/618719555.db2.gz OXRSTGPUXRSUOT-RISCZKNCSA-N -1 1 295.766 3.332 20 0 CGADMM Cc1cc(CN[C@H](C)c2ccccc2C)oc1C(=O)[O-] ZINC000235195428 618737339 /nfs/dbraw/zinc/73/73/39/618737339.db2.gz DYFQVGZBZMGJAN-GFCCVEGCSA-N -1 1 273.332 3.445 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000896310910 619991670 /nfs/dbraw/zinc/99/16/70/619991670.db2.gz IEXLHFPLTQBQJS-GMXVVIOVSA-N -1 1 294.782 3.033 20 0 CGADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)cnc1Cl ZINC000798296160 620263780 /nfs/dbraw/zinc/26/37/80/620263780.db2.gz DAHPDQDXZZBPSL-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM CC(C)(C)CC(=O)[N-]OCc1nc(C(F)(F)F)cs1 ZINC000842061484 620577099 /nfs/dbraw/zinc/57/70/99/620577099.db2.gz LOONVBAPEWYEKM-UHFFFAOYSA-N -1 1 296.314 3.146 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCOC2(CCC2)C1 ZINC000901162145 620839249 /nfs/dbraw/zinc/83/92/49/620839249.db2.gz DVCUIIVFFUBNCJ-JTQLQIEISA-N -1 1 295.766 3.333 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(CC(=O)[O-])cc2)o1 ZINC000901541894 620920467 /nfs/dbraw/zinc/92/04/67/620920467.db2.gz ZEGLTBNRARPGLT-LRDDRELGSA-N -1 1 299.370 3.320 20 0 CGADMM CSc1ccc(CNCc2cc(C)c(C(=O)[O-])o2)s1 ZINC000901941830 621071898 /nfs/dbraw/zinc/07/18/98/621071898.db2.gz CRYAAVMHHNAVIF-UHFFFAOYSA-N -1 1 297.401 3.359 20 0 CGADMM CSc1ccc(CN(C)[C@@H](CC(C)C)C(=O)[O-])s1 ZINC000902019739 621105902 /nfs/dbraw/zinc/10/59/02/621105902.db2.gz RYNBMYXQJDACTA-NSHDSACASA-N -1 1 287.450 3.401 20 0 CGADMM Cc1cc(CN[C@H]2CCc3cc(C)ccc32)oc1C(=O)[O-] ZINC000902176870 621176459 /nfs/dbraw/zinc/17/64/59/621176459.db2.gz XVYSPYIWGMAIEK-HNNXBMFYSA-N -1 1 285.343 3.372 20 0 CGADMM Cc1ccc2c(c1)CC[C@H]2NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902174645 621184728 /nfs/dbraw/zinc/18/47/28/621184728.db2.gz PVTRRSZJGLMIMY-RCMYXZNBSA-N -1 1 297.354 3.463 20 0 CGADMM Cc1ccc2c(c1)CC[C@H]2NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902174647 621185129 /nfs/dbraw/zinc/18/51/29/621185129.db2.gz PVTRRSZJGLMIMY-UXHZXRBQSA-N -1 1 297.354 3.463 20 0 CGADMM CC(C)(CC[N@H+]1CCc2cc(Cl)ccc2C1)C(=O)[O-] ZINC000902260460 621213685 /nfs/dbraw/zinc/21/36/85/621213685.db2.gz BIQDSMDVYGDKLK-UHFFFAOYSA-N -1 1 281.783 3.199 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CNC1(c2ccccc2C)CC1 ZINC000902269130 621234268 /nfs/dbraw/zinc/23/42/68/621234268.db2.gz GQTZGHBUAOCVCG-UHFFFAOYSA-N -1 1 285.343 3.374 20 0 CGADMM Cc1ccccc1C1(NCc2cccc(C(=O)[O-])n2)CCC1 ZINC000902309482 621250070 /nfs/dbraw/zinc/25/00/70/621250070.db2.gz OECVFNLTLGDGDT-UHFFFAOYSA-N -1 1 296.370 3.257 20 0 CGADMM Cc1ccc(F)c(CN2CCCC[C@H]2CC(=O)[O-])c1F ZINC000903409272 621732815 /nfs/dbraw/zinc/73/28/15/621732815.db2.gz UBYTVRPBJZQNBJ-NSHDSACASA-N -1 1 283.318 3.102 20 0 CGADMM CSc1ccc([O-])c(-c2nc(Cc3ccncc3)no2)c1 ZINC000904934638 622023710 /nfs/dbraw/zinc/02/37/10/622023710.db2.gz XGFORCOBZDKCNJ-UHFFFAOYSA-N -1 1 299.355 3.150 20 0 CGADMM O=C(/C=C\C1CC1)Nc1cccc([O-])c1Br ZINC000908713385 622369886 /nfs/dbraw/zinc/36/98/86/622369886.db2.gz RHMQYDUIYARJOI-SREVYHEPSA-N -1 1 282.137 3.059 20 0 CGADMM CC1(C)CCC[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909984864 622441205 /nfs/dbraw/zinc/44/12/05/622441205.db2.gz APLUKHFQCLBOJL-MRVPVSSYSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@H]1CCC[C@@]1(C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986964 622443404 /nfs/dbraw/zinc/44/34/04/622443404.db2.gz FHYVIKOMFFMHMW-RMLUDKJBSA-N -1 1 269.291 3.435 20 0 CGADMM CC(=O)[C@H](C)CCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909984029 622444874 /nfs/dbraw/zinc/44/48/74/622444874.db2.gz HQTGXYSIEVANOB-SECBINFHSA-N -1 1 299.317 3.394 20 0 CGADMM O=C(/C=C/c1cccc2c1OCCO2)c1ccc([O-])cc1 ZINC000054801638 622799451 /nfs/dbraw/zinc/79/94/51/622799451.db2.gz GNLDPDPVKXRPPR-RMKNXTFCSA-N -1 1 282.295 3.060 20 0 CGADMM CCC(CC)(CNC(=O)c1cc(F)ccc1[O-])SC ZINC000227119184 623009581 /nfs/dbraw/zinc/00/95/81/623009581.db2.gz NBXWGPFPBCNCJG-UHFFFAOYSA-N -1 1 285.384 3.183 20 0 CGADMM O=C([O-])c1coc(CN[C@H](c2ccccc2)C2CC2)c1 ZINC000228163281 623044516 /nfs/dbraw/zinc/04/45/16/623044516.db2.gz HDQPEWCCTLPSPB-OAHLLOKOSA-N -1 1 271.316 3.219 20 0 CGADMM O=C(OCC1CCCCC1)c1c([O-])cc(F)cc1F ZINC000063543562 623333650 /nfs/dbraw/zinc/33/36/50/623333650.db2.gz JNSKWOMDAQZXGQ-UHFFFAOYSA-N -1 1 270.275 3.408 20 0 CGADMM CCC[C@@H](C)CCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000914364581 623714512 /nfs/dbraw/zinc/71/45/12/623714512.db2.gz BHTCETWZEUQEFV-LLVKDONJSA-N -1 1 293.411 3.170 20 0 CGADMM CCCCC[C@@H](CC)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000179949599 624699965 /nfs/dbraw/zinc/69/99/65/624699965.db2.gz LEWWZSAJECIBAO-MRVPVSSYSA-N -1 1 292.305 3.369 20 0 CGADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000866975834 625846179 /nfs/dbraw/zinc/84/61/79/625846179.db2.gz DHQBQJZSVIBUHH-GRLWKWRFSA-N -1 1 274.295 3.341 20 0 CGADMM CCO[N-]C(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000751308932 626384470 /nfs/dbraw/zinc/38/44/70/626384470.db2.gz ZFHXJJLQIVAQPC-SSDOTTSWSA-N -1 1 262.136 3.165 20 0 CGADMM O=C(NC[C@@H]1CCCCS1)c1c([O-])cccc1Cl ZINC000752798925 626440157 /nfs/dbraw/zinc/44/01/57/626440157.db2.gz UHDLJXDYIKJZCS-VIFPVBQESA-N -1 1 285.796 3.061 20 0 CGADMM CCC[C@@H](C)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000761853554 627067251 /nfs/dbraw/zinc/06/72/51/627067251.db2.gz WQLCTZNAEDGSRY-MRVPVSSYSA-N -1 1 250.273 3.485 20 0 CGADMM O=C(C=C1CCCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000762793146 627124444 /nfs/dbraw/zinc/12/44/44/627124444.db2.gz JHWWMAZOFLSRIR-UHFFFAOYSA-N -1 1 283.331 3.221 20 0 CGADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1nccs1 ZINC000770143808 627605963 /nfs/dbraw/zinc/60/59/63/627605963.db2.gz CDANACRKDKADPM-UHFFFAOYSA-N -1 1 294.405 3.295 20 0 CGADMM CC(C)=CCOC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000775279298 628077727 /nfs/dbraw/zinc/07/77/27/628077727.db2.gz VFKNDKNWCGULHQ-UHFFFAOYSA-N -1 1 260.293 3.101 20 0 CGADMM CC(C)(C)c1cnc(NC([O-])=NO[C@H]2CCCCO2)s1 ZINC000775645565 628119344 /nfs/dbraw/zinc/11/93/44/628119344.db2.gz HDJKYFSVNPMUBB-JTQLQIEISA-N -1 1 299.396 3.020 20 0 CGADMM CC(C)(C)c1cnc(NC(=O)[N-]O[C@H]2CCCCO2)s1 ZINC000775645565 628119348 /nfs/dbraw/zinc/11/93/48/628119348.db2.gz HDJKYFSVNPMUBB-JTQLQIEISA-N -1 1 299.396 3.020 20 0 CGADMM CCC[C@@H](C)c1noc(-c2ccc([O-])cc2F)n1 ZINC000776881809 628237891 /nfs/dbraw/zinc/23/78/91/628237891.db2.gz KKSVSQQNDICOAU-MRVPVSSYSA-N 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266.728 3.126 20 0 CGADMM COCCCC[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000792557954 629366789 /nfs/dbraw/zinc/36/67/89/629366789.db2.gz WOFAOYPDPIBZRN-LBPRGKRZSA-N -1 1 289.297 3.223 20 0 CGADMM CC(C)(C)SCC(=O)Nc1cccc(F)c1[O-] ZINC000863009498 629459794 /nfs/dbraw/zinc/45/97/94/629459794.db2.gz GIDHWBBOIFMCRP-UHFFFAOYSA-N -1 1 257.330 3.002 20 0 CGADMM CC(C)(C)c1csc(C(=O)[N-]c2ccnc(F)c2F)n1 ZINC000875840934 634740319 /nfs/dbraw/zinc/74/03/19/634740319.db2.gz OTVSKBKLICLCLE-UHFFFAOYSA-N -1 1 297.330 3.366 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1ccccc1F ZINC000794855069 629589254 /nfs/dbraw/zinc/58/92/54/629589254.db2.gz VERSETGJGMCBJC-MNOVXSKESA-N -1 1 253.317 3.023 20 0 CGADMM O=C([N-]C1(C(F)(F)F)CC1)C(F)(F)Cc1ccccc1 ZINC000796792037 629835273 /nfs/dbraw/zinc/83/52/73/629835273.db2.gz VWMHSBNROCSJNY-UHFFFAOYSA-N -1 1 293.235 3.076 20 0 CGADMM O=C(OCCCCC1CCOCC1)c1ccc([O-])cc1F ZINC000798645731 630080015 /nfs/dbraw/zinc/08/00/15/630080015.db2.gz BIPQQDOLRWOXHH-UHFFFAOYSA-N -1 1 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/nfs/dbraw/zinc/00/15/96/800001596.db2.gz OOUWEWYYCOVRAM-LLVKDONJSA-N -1 1 293.310 3.221 20 0 CGADMM C=C/C=C\CCNC(=O)c1ccc(Br)c([O-])c1 ZINC000713498622 800112090 /nfs/dbraw/zinc/11/20/90/800112090.db2.gz IRYWIWMYSYWQSW-ARJAWSKDSA-N -1 1 296.164 3.017 20 0 CGADMM CC(C)[C@H](F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000809471385 800439856 /nfs/dbraw/zinc/43/98/56/800439856.db2.gz RHDLHIZIXAADOA-JTQLQIEISA-N -1 1 254.236 3.248 20 0 CGADMM C[C@@H](OC1CCCCC1)C(=O)Nc1ccc(F)cc1[O-] ZINC001116300559 802328031 /nfs/dbraw/zinc/32/80/31/802328031.db2.gz BMOXBIXGRVBUTI-SNVBAGLBSA-N -1 1 281.327 3.208 20 0 CGADMM CSc1ccc(N(C)C(=O)c2ccc(O)cc2[O-])cc1 ZINC001116516461 802369439 /nfs/dbraw/zinc/36/94/39/802369439.db2.gz GJIGTNAYWUEVHW-UHFFFAOYSA-N -1 1 289.356 3.096 20 0 CGADMM CCOC(=O)Cc1cccc(-c2c([O-])cccc2Cl)n1 ZINC001244045495 803159240 /nfs/dbraw/zinc/15/92/40/803159240.db2.gz YSHJPDWENTZSSO-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM O=c1ccc(-c2cc(F)c([O-])c(F)c2)cn1-c1ccccc1 ZINC001244096583 803183483 /nfs/dbraw/zinc/18/34/83/803183483.db2.gz OAPYPSCXCODRHT-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM COc1ccc(-c2cc(F)c([O-])c(F)c2)cc1OC ZINC001244096696 803183595 /nfs/dbraw/zinc/18/35/95/803183595.db2.gz KLXSIEPDBYJPAB-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM COC(=O)Cc1ccc(-c2cc(F)c([O-])c(F)c2)cc1F ZINC001244097079 803185251 /nfs/dbraw/zinc/18/52/51/803185251.db2.gz MKSTUNUBQCUTTH-UHFFFAOYSA-N -1 1 296.244 3.192 20 0 CGADMM C[C@@H]1C(=O)Nc2cc(-c3cc(F)c([O-])c(F)c3)ccc21 ZINC001244097434 803185731 /nfs/dbraw/zinc/18/57/31/803185731.db2.gz UPYOJXHSDXQUBB-ZETCQYMHSA-N -1 1 275.254 3.393 20 0 CGADMM COCc1cc(OC)ccc1-c1cc(F)c([O-])c(F)c1 ZINC001244098783 803186787 /nfs/dbraw/zinc/18/67/87/803186787.db2.gz REYDWPLLOMOJRW-UHFFFAOYSA-N -1 1 280.270 3.492 20 0 CGADMM Cc1cc(C2CC2)cc(F)c1-c1ccc(-c2nnn[n-]2)nc1 ZINC001244127549 803200050 /nfs/dbraw/zinc/20/00/50/803200050.db2.gz UWDPIWOADJDBKJ-UHFFFAOYSA-N -1 1 295.321 3.254 20 0 CGADMM Cc1cc(C2CC2)cc(F)c1-c1ccc(-c2nn[n-]n2)nc1 ZINC001244127549 803200055 /nfs/dbraw/zinc/20/00/55/803200055.db2.gz UWDPIWOADJDBKJ-UHFFFAOYSA-N -1 1 295.321 3.254 20 0 CGADMM O=[P@@]([O-])(O)c1ccc(-c2ccc3sccc3c2)cc1 ZINC001244298197 803284691 /nfs/dbraw/zinc/28/46/91/803284691.db2.gz OAZFIAGCOOFJSF-UHFFFAOYSA-N -1 1 290.280 3.371 20 0 CGADMM O=[P@]([O-])(O)c1ccc(-c2ccc3sccc3c2)cc1 ZINC001244298197 803284697 /nfs/dbraw/zinc/28/46/97/803284697.db2.gz OAZFIAGCOOFJSF-UHFFFAOYSA-N -1 1 290.280 3.371 20 0 CGADMM Cc1ccc([O-])c(-c2ncnc(-c3cccc(F)c3)n2)c1 ZINC001244403629 803353166 /nfs/dbraw/zinc/35/31/66/803353166.db2.gz XAUYEXIKDFDOCG-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(C)ccc3O)cc2[n-]1 ZINC001244405384 803353696 /nfs/dbraw/zinc/35/36/96/803353696.db2.gz LGECYFRULFDWJH-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(C)ccc3O)ccc2[n-]1 ZINC001244405384 803353706 /nfs/dbraw/zinc/35/37/06/803353706.db2.gz LGECYFRULFDWJH-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM CCOc1ccc(C(=O)[O-])cc1-c1cncc2cc[nH]c21 ZINC001244420383 803361916 /nfs/dbraw/zinc/36/19/16/803361916.db2.gz KFWIHLRKXLTTAH-UHFFFAOYSA-N -1 1 282.299 3.327 20 0 CGADMM CCOc1nccnc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244537738 803425686 /nfs/dbraw/zinc/42/56/86/803425686.db2.gz DPUXLOONDBZFEV-UHFFFAOYSA-N -1 1 264.712 3.210 20 0 CGADMM COC(=O)c1ccc(-c2c(Cl)ccc([O-])c2F)nc1 ZINC001244537864 803425814 /nfs/dbraw/zinc/42/58/14/803425814.db2.gz HDDUWIUAAQNHBX-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM CC(C)Oc1cnc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244538002 803425902 /nfs/dbraw/zinc/42/59/02/803425902.db2.gz HHSUMIOYCADDFE-UHFFFAOYSA-N -1 1 282.702 3.429 20 0 CGADMM [O-]c1ccc(Cl)c(-c2nccc3nc[nH]c32)c1F ZINC001244539054 803426251 /nfs/dbraw/zinc/42/62/51/803426251.db2.gz WNFVTXAGQIBUSA-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM Cn1ccc2cnc(-c3c(Cl)ccc([O-])c3F)nc21 ZINC001244538920 803426318 /nfs/dbraw/zinc/42/63/18/803426318.db2.gz QHMLYMSTUZWZCP-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM O=C1COc2cccc(-c3c(Cl)ccc([O-])c3F)c2N1 ZINC001244542638 803429011 /nfs/dbraw/zinc/42/90/11/803429011.db2.gz MRKRFJHOKRILCB-UHFFFAOYSA-N -1 1 293.681 3.183 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cnc(N3CCCC3)cn2)c1F ZINC001244542083 803429170 /nfs/dbraw/zinc/42/91/70/803429170.db2.gz IBVBMJWDENQJIX-UHFFFAOYSA-N -1 1 293.729 3.242 20 0 CGADMM CN1Cc2cc(-c3c(Cl)ccc([O-])c3F)ccc2C1=O ZINC001244542721 803429720 /nfs/dbraw/zinc/42/97/20/803429720.db2.gz KLOGUADIAQVZBO-UHFFFAOYSA-N -1 1 291.709 3.437 20 0 CGADMM O=C1Cc2cc(-c3ccc(C4CCC4)cc3)ccc2C(=O)[N-]1 ZINC001244942449 803584463 /nfs/dbraw/zinc/58/44/63/803584463.db2.gz NBWMKQMYDXNQIJ-UHFFFAOYSA-N -1 1 291.350 3.434 20 0 CGADMM CCc1ccc(NC(=O)c2cccc([O-])c2F)cc1 ZINC001135547081 803603873 /nfs/dbraw/zinc/60/38/73/803603873.db2.gz PBPMQJDZCLWHCW-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM O=C(Nc1ccc(Cl)cc1)c1cccc([O-])c1F ZINC001135687014 803610239 /nfs/dbraw/zinc/61/02/39/803610239.db2.gz JRQAKXDDXQAFPW-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM Cc1nc2[nH]ccc2nc1-c1cc(Cl)ccc1[O-] ZINC001245051673 803623374 /nfs/dbraw/zinc/62/33/74/803623374.db2.gz GPJCQHKJIPAJOF-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM CC(C)c1ccccc1NC(=O)c1ccc([O-])cn1 ZINC001136137934 803632352 /nfs/dbraw/zinc/63/23/52/803632352.db2.gz RCXJDHWKWBTPSH-UHFFFAOYSA-N -1 1 256.305 3.163 20 0 CGADMM C[C@H]1c2ccsc2CCN1C(=O)c1ccc(F)c([O-])c1 ZINC001136152746 803633633 /nfs/dbraw/zinc/63/36/33/803633633.db2.gz HKIXBFRLDPVFAP-VIFPVBQESA-N -1 1 291.347 3.352 20 0 CGADMM CCCC=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001136190314 803635568 /nfs/dbraw/zinc/63/55/68/803635568.db2.gz AKLRWFPXPSYXKR-PLNGDYQASA-N -1 1 271.320 3.077 20 0 CGADMM CC1CCC(C)(NC(=O)c2cccc([O-])c2F)CC1 ZINC001136547043 803645868 /nfs/dbraw/zinc/64/58/68/803645868.db2.gz HCVSSOGYQPCUDG-UHFFFAOYSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1ccc2nc([N-]C(=O)c3cc(Cl)no3)sc2c1 ZINC001136592389 803647263 /nfs/dbraw/zinc/64/72/63/803647263.db2.gz XZCVLOMOAONPAQ-UHFFFAOYSA-N -1 1 293.735 3.498 20 0 CGADMM CCCCC[C@@H](NC(=O)c1cnncc1[O-])c1ccccc1 ZINC001136597654 803647498 /nfs/dbraw/zinc/64/74/98/803647498.db2.gz DKDJJXCXPMPJMD-OAHLLOKOSA-N -1 1 299.374 3.234 20 0 CGADMM Cc1cccc2c1CCCN2C(=O)c1ccc(F)c([O-])c1 ZINC001136758610 803651403 /nfs/dbraw/zinc/65/14/03/803651403.db2.gz BZAATEGGJUZJBD-UHFFFAOYSA-N -1 1 285.318 3.433 20 0 CGADMM Cc1coc(-c2cccc(NC(=O)c3ccc([O-])cn3)c2)n1 ZINC001137540841 803740248 /nfs/dbraw/zinc/74/02/48/803740248.db2.gz XHDYRJGOYWXMAH-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM O=C(NCCC1Cc2ccccc2C1)c1cccc([O-])c1F ZINC001138234247 803875765 /nfs/dbraw/zinc/87/57/65/803875765.db2.gz SMCKTCMFVOIOMV-UHFFFAOYSA-N -1 1 299.345 3.066 20 0 CGADMM Cc1ncc(C)c(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245826899 803981410 /nfs/dbraw/zinc/98/14/10/803981410.db2.gz HTLGSSQUTGWSMU-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM COc1cc(-c2c(F)ccc([O-])c2Cl)ncc1F ZINC001245830583 803985077 /nfs/dbraw/zinc/98/50/77/803985077.db2.gz SIEJSBJFBQSRGA-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM Cn1cc(-c2c(F)ccc([O-])c2Cl)c2cc[nH]c2c1=O ZINC001245831907 803985964 /nfs/dbraw/zinc/98/59/64/803985964.db2.gz PXZBSRRQMICVCO-UHFFFAOYSA-N -1 1 292.697 3.032 20 0 CGADMM [O-]c1ccc(F)c(-c2ccn3ccnc3c2)c1Cl ZINC001245831566 803986171 /nfs/dbraw/zinc/98/61/71/803986171.db2.gz AOSFGGNQQLCWKG-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM Cc1c(-c2c(F)ccc([O-])c2Cl)cnc2nccnc12 ZINC001245833053 803988703 /nfs/dbraw/zinc/98/87/03/803988703.db2.gz SDKOUNCADPBNPI-UHFFFAOYSA-N -1 1 289.697 3.498 20 0 CGADMM Cc1cn2cc(-c3c(F)ccc([O-])c3Cl)cnc2n1 ZINC001245833058 803988891 /nfs/dbraw/zinc/98/88/91/803988891.db2.gz SFXBKSWAYCCBQY-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM COCCOc1cc(-c2c(F)ccc([O-])c2Cl)ccn1 ZINC001245835090 803989006 /nfs/dbraw/zinc/98/90/06/803989006.db2.gz OYLUGTUISIRUPI-UHFFFAOYSA-N -1 1 297.713 3.272 20 0 CGADMM CCc1cc(=O)n(-c2cccc(Br)c2C)[n-]1 ZINC001245918235 804044465 /nfs/dbraw/zinc/04/44/65/804044465.db2.gz VEXZNQNGCBTMCU-UHFFFAOYSA-N -1 1 281.153 3.211 20 0 CGADMM CCc1cc(=O)n(-c2cccc(OC(F)(F)F)c2)[n-]1 ZINC001245918447 804047362 /nfs/dbraw/zinc/04/73/62/804047362.db2.gz WPKZVDUVBKCTKZ-UHFFFAOYSA-N -1 1 272.226 3.039 20 0 CGADMM Cc1ccc(-c2cc(=O)n(-c3cccc(C(=O)[O-])c3)[nH]2)cc1 ZINC001245918824 804047581 /nfs/dbraw/zinc/04/75/81/804047581.db2.gz DPOKPSRXDNVUBG-UHFFFAOYSA-N -1 1 294.310 3.252 20 0 CGADMM CCCCc1cc(=O)n(-c2ccc3cccnc3c2)[n-]1 ZINC001245927011 804054517 /nfs/dbraw/zinc/05/45/17/804054517.db2.gz IZDUSUCWKLNMNO-UHFFFAOYSA-N -1 1 267.332 3.469 20 0 CGADMM CCCCc1cc(=O)n(-c2ccc(OC)c(F)c2)[n-]1 ZINC001245926820 804054728 /nfs/dbraw/zinc/05/47/28/804054728.db2.gz MGTYDIZUHPHOAE-UHFFFAOYSA-N -1 1 264.300 3.068 20 0 CGADMM COc1ccc(-n2[n-]c(CC(C)(C)C)cc2=O)cc1OC ZINC001245931949 804060358 /nfs/dbraw/zinc/06/03/58/804060358.db2.gz LBFGVBBORFPGOV-UHFFFAOYSA-N -1 1 290.363 3.184 20 0 CGADMM O=c1cc(CC2CCCC2)[n-]n1-c1ccc(F)cc1 ZINC001245932000 804060910 /nfs/dbraw/zinc/06/09/10/804060910.db2.gz LNOAOSLVGRSSGP-UHFFFAOYSA-N -1 1 260.312 3.450 20 0 CGADMM Nc1ccc(-c2cc(=O)n(CCc3ccccc3)[n-]2)cc1 ZINC001245935480 804064964 /nfs/dbraw/zinc/06/49/64/804064964.db2.gz BBFTZVVWIKRJQX-UHFFFAOYSA-N -1 1 279.343 3.081 20 0 CGADMM Nc1ccc(-c2cc(=O)n(CC3CCCCC3)[n-]2)cc1 ZINC001245938376 804070153 /nfs/dbraw/zinc/07/01/53/804070153.db2.gz YSFQGBPYCIHLRU-UHFFFAOYSA-N -1 1 271.364 3.418 20 0 CGADMM Cc1ccc(Cn2[n-]c(-c3ccc(N)cc3)cc2=O)cc1 ZINC001245938001 804070492 /nfs/dbraw/zinc/07/04/92/804070492.db2.gz RLQAILOYVGZOQI-UHFFFAOYSA-N -1 1 279.343 3.195 20 0 CGADMM O=C(Nc1c2c(cc3c1CCC3)CCC2)c1ccc([O-])cn1 ZINC001141700655 804664287 /nfs/dbraw/zinc/66/42/87/804664287.db2.gz MZCKSRJMRXDVCW-UHFFFAOYSA-N -1 1 294.354 3.017 20 0 CGADMM Cc1c(F)cccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001141833536 804671527 /nfs/dbraw/zinc/67/15/27/804671527.db2.gz GKHWTMUTJZFNAT-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CC(C)O[C@H]1C[C@@H](NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC001141956042 804682032 /nfs/dbraw/zinc/68/20/32/804682032.db2.gz NAKUHNPYGJEMNP-OKILXGFUSA-N -1 1 299.370 3.231 20 0 CGADMM Cc1ccc(C[N-]C(=O)C(F)(F)F)c2ccccc12 ZINC001142767844 804766470 /nfs/dbraw/zinc/76/64/70/804766470.db2.gz FVJPWTTZMLTCCE-UHFFFAOYSA-N -1 1 267.250 3.327 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1cc2cccnc2[nH]1 ZINC001248707256 804971357 /nfs/dbraw/zinc/97/13/57/804971357.db2.gz VBYXLYHRVUKKBA-UHFFFAOYSA-N -1 1 293.282 3.119 20 0 CGADMM O=C1CCN(Cc2c(F)cc([O-])cc2F)[C@@H]2CCCC[C@@H]12 ZINC001144541672 805001566 /nfs/dbraw/zinc/00/15/66/805001566.db2.gz JNSZZLYYAXQSKV-IAQYHMDHSA-N -1 1 295.329 3.004 20 0 CGADMM O=C(NCc1ccc2occc2c1)c1c([O-])cccc1F ZINC001146507627 805071109 /nfs/dbraw/zinc/07/11/09/805071109.db2.gz ZYHXIDUPMJRXPO-UHFFFAOYSA-N -1 1 285.274 3.208 20 0 CGADMM Cc1cncc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001147402627 805127755 /nfs/dbraw/zinc/12/77/55/805127755.db2.gz RCBXUIQKTLFDBU-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1cccc([O-])c1F ZINC001147861425 805154005 /nfs/dbraw/zinc/15/40/05/805154005.db2.gz QSIHZBXYHLPXFW-NXEZZACHSA-N -1 1 253.317 3.086 20 0 CGADMM O=C(Nc1ccccc1-c1ncco1)c1ccc([O-])c(F)c1 ZINC001148252002 805171061 /nfs/dbraw/zinc/17/10/61/805171061.db2.gz FSBBNDOLEVYKLT-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM O=C(c1cccc([O-])c1F)N(CCC1CC1)CC1CC1 ZINC001148667992 805204174 /nfs/dbraw/zinc/20/41/74/805204174.db2.gz QCMACALFVPFKAX-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM COc1cc(Nc2c([O-])cc(F)cc2F)ccc1N ZINC001249720281 805224089 /nfs/dbraw/zinc/22/40/89/805224089.db2.gz IYVKNWKMQQFILL-UHFFFAOYSA-N -1 1 266.247 3.005 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc(O)c1F ZINC001212548439 815062619 /nfs/dbraw/zinc/06/26/19/815062619.db2.gz NCAFTJJTWMHRJY-UHFFFAOYSA-N -1 1 287.246 3.087 20 0 CGADMM Cc1cc(Nc2cc([O-])c(F)c(F)c2F)cnc1F ZINC001249958427 805324575 /nfs/dbraw/zinc/32/45/75/805324575.db2.gz MPNBCIIDCBKLAC-UHFFFAOYSA-N -1 1 272.201 3.396 20 0 CGADMM Cc1ccsc1CCNC(=O)c1ccc(Cl)cc1[O-] ZINC001152524680 805353423 /nfs/dbraw/zinc/35/34/23/805353423.db2.gz CHJARLXZIZNLQU-UHFFFAOYSA-N -1 1 295.791 3.388 20 0 CGADMM [O-]c1cc(Nc2c(O)cccc2F)cc(F)c1F ZINC001249996916 805355341 /nfs/dbraw/zinc/35/53/41/805355341.db2.gz PQADRVIGNLPKDP-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM CN(Cc1ccc2cc[nH]c2c1)C(=O)c1cccc([O-])c1F ZINC001152822976 805370793 /nfs/dbraw/zinc/37/07/93/805370793.db2.gz HKOMSQRAKNSEAC-UHFFFAOYSA-N -1 1 298.317 3.285 20 0 CGADMM O=C(N[C@H](CC1CCC1)c1ccccc1)c1ccc([O-])cn1 ZINC001152852434 805372414 /nfs/dbraw/zinc/37/24/14/805372414.db2.gz KPSLQNPRKKOPGI-QGZVFWFLSA-N -1 1 296.370 3.449 20 0 CGADMM NC(=O)c1c(F)cccc1Nc1cc(Cl)c([O-])cc1F ZINC001250022050 805373756 /nfs/dbraw/zinc/37/37/56/805373756.db2.gz FKKGPVVXOCDROM-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM [O-]c1cc(F)c(Nc2cnccc2F)cc1Cl ZINC001250023278 805374004 /nfs/dbraw/zinc/37/40/04/805374004.db2.gz GMASYBNOBBDQBR-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM CC(C)[C@H]1COCCN1C(=O)c1c([O-])ccc2ccccc21 ZINC001153505799 805400430 /nfs/dbraw/zinc/40/04/30/805400430.db2.gz MCSWPAYDTUZJJS-OAHLLOKOSA-N -1 1 299.370 3.042 20 0 CGADMM COc1nc(OC)c(Nc2cc([O-])c(F)c(F)c2)cc1C ZINC001250187530 805475140 /nfs/dbraw/zinc/47/51/40/805475140.db2.gz ZEMZPTBVQDLZIY-UHFFFAOYSA-N -1 1 296.273 3.135 20 0 CGADMM Cc1nc(Cc2cc([O-])c(F)c(F)c2F)cs1 ZINC001250198560 805484250 /nfs/dbraw/zinc/48/42/50/805484250.db2.gz QLNYVNLCFURIIN-UHFFFAOYSA-N -1 1 259.252 3.165 20 0 CGADMM COc1ccc(Nc2c(F)ccc([O-])c2Cl)c(OC)n1 ZINC001250228458 805504949 /nfs/dbraw/zinc/50/49/49/805504949.db2.gz BUNYCQSPGULXOM-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM COc1ccc(CO)cc1Nc1c(F)ccc([O-])c1Cl ZINC001250232521 805506483 /nfs/dbraw/zinc/50/64/83/805506483.db2.gz PKRMHKDJZGNFKW-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM Nc1cccc2c1cnn2-c1c(F)ccc([O-])c1Cl ZINC001250232751 805508226 /nfs/dbraw/zinc/50/82/26/805508226.db2.gz BLDQAMIQQDSLLA-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM CCOc1nccc([N-]c2nc(C)ns2)c1Cl ZINC001250247021 805519352 /nfs/dbraw/zinc/51/93/52/805519352.db2.gz UUWHUPAMCQYSKV-UHFFFAOYSA-N -1 1 270.745 3.037 20 0 CGADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001165807329 807019963 /nfs/dbraw/zinc/01/99/63/807019963.db2.gz JTGIQGWQUPHNEB-GXFFZTMASA-N -1 1 265.328 3.308 20 0 CGADMM CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257516206 807189631 /nfs/dbraw/zinc/18/96/31/807189631.db2.gz YDSSOOSIFABDOR-YFKPBYRVSA-N -1 1 288.221 3.132 20 0 CGADMM Cc1cc(-c2noc(-c3ccncc3[O-])n2)cc(C)c1F ZINC001212721521 815113911 /nfs/dbraw/zinc/11/39/11/815113911.db2.gz VBPFSJDAVSYRPA-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM [O-]c1cnc(Cl)c(-c2nnc(CC3CCCC3)o2)c1 ZINC001258681346 807541395 /nfs/dbraw/zinc/54/13/95/807541395.db2.gz PEHQVGULSLCWGM-UHFFFAOYSA-N -1 1 279.727 3.223 20 0 CGADMM O=S(=O)(CC1CCCCC1)[N-]c1ncccc1C1CC1 ZINC001259614664 807682344 /nfs/dbraw/zinc/68/23/44/807682344.db2.gz GSQFGBXRXHONIO-UHFFFAOYSA-N -1 1 294.420 3.281 20 0 CGADMM CC(C)CS(=O)(=O)[N-]c1cccc(-c2ccccc2)n1 ZINC001259879497 807691088 /nfs/dbraw/zinc/69/10/88/807691088.db2.gz QEJMLYFDBFUHLA-UHFFFAOYSA-N -1 1 290.388 3.146 20 0 CGADMM Cc1ccc(S(=O)(=O)Nc2ccccc2[S-])s1 ZINC001260683768 807699019 /nfs/dbraw/zinc/69/90/19/807699019.db2.gz CGSNZBMYEJTPBN-UHFFFAOYSA-N -1 1 285.415 3.146 20 0 CGADMM CN(CC1CCC1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001262634464 807882671 /nfs/dbraw/zinc/88/26/71/807882671.db2.gz LYMXZAIYNLLMLI-UHFFFAOYSA-N -1 1 285.343 3.123 20 0 CGADMM Cn1cc(CC(=O)Nc2cccc(F)c2[O-])c2ccccc21 ZINC001171632452 808109846 /nfs/dbraw/zinc/10/98/46/808109846.db2.gz BAWCQVJXDZYTKI-UHFFFAOYSA-N -1 1 298.317 3.204 20 0 CGADMM C[C@@H]1CC[C@H](NC2=CC=C[CH]2)CN1C(=O)OC(C)(C)C ZINC001173052689 808500814 /nfs/dbraw/zinc/50/08/14/808500814.db2.gz HHUHFVQECVUHOV-OCCSQVGLSA-N -1 1 277.388 3.022 20 0 CGADMM CCOc1ccccc1Nc1cc(=O)[n-]c(SC)n1 ZINC001173849432 808710864 /nfs/dbraw/zinc/71/08/64/808710864.db2.gz OEZNMGUPWSVAQY-UHFFFAOYSA-N -1 1 277.349 3.046 20 0 CGADMM COc1cc(O)ccc1Nc1c([O-])cc(F)cc1F ZINC001213096452 815233173 /nfs/dbraw/zinc/23/31/73/815233173.db2.gz JNDOISNJQDPFMQ-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM Cc1cccc(Nc2cc(S(C)(=O)=O)ccc2[O-])c1C ZINC001173953943 808782405 /nfs/dbraw/zinc/78/24/05/808782405.db2.gz BKBVKXWKLPMXQZ-UHFFFAOYSA-N -1 1 291.372 3.156 20 0 CGADMM COC(=O)c1c(C)cc([N-]c2nnc(C(C)C)o2)cc1C ZINC001213121298 815241095 /nfs/dbraw/zinc/24/10/95/815241095.db2.gz YQCRTAYAZNJDIK-UHFFFAOYSA-N -1 1 289.335 3.340 20 0 CGADMM COCc1ccccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001174106802 808869441 /nfs/dbraw/zinc/86/94/41/808869441.db2.gz UCNWXXPFFWTHJK-UHFFFAOYSA-N -1 1 295.342 3.468 20 0 CGADMM c1nnc([N-]c2cccc(OCc3ccccc3)c2)o1 ZINC001174211840 808902449 /nfs/dbraw/zinc/90/24/49/808902449.db2.gz SMQYRPYKGSEGRZ-UHFFFAOYSA-N -1 1 267.288 3.392 20 0 CGADMM Cc1ccc(N(C)C(=O)c2ccc([O-])cc2F)cc1C ZINC001292409559 809431423 /nfs/dbraw/zinc/43/14/23/809431423.db2.gz ZTIYTTGHGCWXSE-UHFFFAOYSA-N -1 1 273.307 3.425 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)c([O-])c2)[C@H](C)C1 ZINC001293495339 809449796 /nfs/dbraw/zinc/44/97/96/809449796.db2.gz DBNOBNDBVCZAAT-GIPNMCIBSA-N -1 1 265.328 3.086 20 0 CGADMM CC[C@H]1CCC[C@@H](NC(=O)c2cc(C)cc(C=O)c2[O-])C1 ZINC001293706134 809453012 /nfs/dbraw/zinc/45/30/12/809453012.db2.gz AFQZVYJGDJDSKW-GXTWGEPZSA-N -1 1 289.375 3.212 20 0 CGADMM CCCOc1cccc(-n2[n-]c(=O)c3ccc(N)cc32)c1 ZINC001175601572 809470937 /nfs/dbraw/zinc/47/09/37/809470937.db2.gz NDXPMJZMGACMPE-UHFFFAOYSA-N -1 1 283.331 3.102 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cccc2c[nH]nc21 ZINC001175641421 809486515 /nfs/dbraw/zinc/48/65/15/809486515.db2.gz LORAKGQSTVELGC-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM CCC(C)(C)c1ccc(NC(=O)c2cnncc2[O-])cc1 ZINC001297451806 809518245 /nfs/dbraw/zinc/51/82/45/809518245.db2.gz XOTNIBUOPHLIPK-UHFFFAOYSA-N -1 1 285.347 3.122 20 0 CGADMM CCCc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001175721391 809519962 /nfs/dbraw/zinc/51/99/62/809519962.db2.gz MZVVXXYPJDLZSE-UHFFFAOYSA-N -1 1 267.332 3.266 20 0 CGADMM Cc1cc(C)c(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001213518575 815295834 /nfs/dbraw/zinc/29/58/34/815295834.db2.gz WLAIMWOKABBNGK-UHFFFAOYSA-N -1 1 250.248 3.426 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1nc(C2CC2)cs1 ZINC001297819863 809523910 /nfs/dbraw/zinc/52/39/10/809523910.db2.gz AVFFVYMZSZDYNO-UHFFFAOYSA-N -1 1 296.298 3.257 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cnn(C2CCC2)c1 ZINC001175763889 809536579 /nfs/dbraw/zinc/53/65/79/809536579.db2.gz XRWYATVZGVNOJO-UHFFFAOYSA-N -1 1 265.263 3.336 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccoc1C1CC1 ZINC001298974272 809542940 /nfs/dbraw/zinc/54/29/40/809542940.db2.gz PBCJTRCOEKPKDY-UHFFFAOYSA-N -1 1 279.242 3.393 20 0 CGADMM CCO[C@@H]1CCC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC001299275481 809546963 /nfs/dbraw/zinc/54/69/63/809546963.db2.gz KVLNHYQARYMZEZ-HZPDHXFCSA-N -1 1 299.370 3.233 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cc2c(s1)CCC2 ZINC001299581026 809551953 /nfs/dbraw/zinc/55/19/53/809551953.db2.gz WNVKRVTVQHDCLI-UHFFFAOYSA-N -1 1 295.310 3.473 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1ccc(Cl)cc1[O-] ZINC001299769912 809553863 /nfs/dbraw/zinc/55/38/63/809553863.db2.gz AGORWFNCMAWUQC-GWCFXTLKSA-N -1 1 279.767 3.212 20 0 CGADMM [O-]c1cc(Nc2cnn(C3CC3)c2)c(F)cc1Cl ZINC001175960323 809581524 /nfs/dbraw/zinc/58/15/24/809581524.db2.gz HTXOWFDBRSKDHB-UHFFFAOYSA-N -1 1 267.691 3.460 20 0 CGADMM Cc1ccccc1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001301707736 809585874 /nfs/dbraw/zinc/58/58/74/809585874.db2.gz SVHHVRBFPCBNFW-UHFFFAOYSA-N -1 1 293.326 3.139 20 0 CGADMM O=C(NCC[C@@H]1CCCC1(F)F)c1cc(F)ccc1[O-] ZINC001303059002 809603187 /nfs/dbraw/zinc/60/31/87/809603187.db2.gz IUKCEPPSALQRDT-VIFPVBQESA-N -1 1 287.281 3.087 20 0 CGADMM Fc1cccc(-c2noc(-c3c[n-]c(C(F)(F)F)n3)n2)c1 ZINC001213589528 815307182 /nfs/dbraw/zinc/30/71/82/815307182.db2.gz FTUVUXMZFZHDTL-UHFFFAOYSA-N -1 1 298.199 3.285 20 0 CGADMM Fc1cccc(-c2noc(-c3cnc(C(F)(F)F)[n-]3)n2)c1 ZINC001213589528 815307176 /nfs/dbraw/zinc/30/71/76/815307176.db2.gz FTUVUXMZFZHDTL-UHFFFAOYSA-N -1 1 298.199 3.285 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cncc(C2CC2)c1 ZINC001176283176 809659869 /nfs/dbraw/zinc/65/98/69/809659869.db2.gz AIOGGARMAOYCAG-UHFFFAOYSA-N -1 1 261.712 3.457 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ncc3ccccc3n2)c1F ZINC001176663241 809736990 /nfs/dbraw/zinc/73/69/90/809736990.db2.gz DECXGGHLDDMHED-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM O=c1cc[nH]c(Cl)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663904 809738266 /nfs/dbraw/zinc/73/82/66/809738266.db2.gz OZVSUTXIXNMYMX-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM CCc1cc(Nc2c(F)cc(F)c([O-])c2F)on1 ZINC001176663615 809738414 /nfs/dbraw/zinc/73/84/14/809738414.db2.gz GJZZOCTZFBCWDF-UHFFFAOYSA-N -1 1 258.199 3.104 20 0 CGADMM Cc1cn(-c2c(F)cc(F)c([O-])c2F)c2ncc(N)cc12 ZINC001176664335 809738672 /nfs/dbraw/zinc/73/86/72/809738672.db2.gz VFOUATXDZOLYGX-UHFFFAOYSA-N -1 1 293.248 3.039 20 0 CGADMM O=c1cc(Nc2c(F)cc(F)c([O-])c2F)cc(Cl)[nH]1 ZINC001176664700 809738797 /nfs/dbraw/zinc/73/87/97/809738797.db2.gz XQRSQUAUHBPOMZ-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM Cc1cc(N)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672418 809740065 /nfs/dbraw/zinc/74/00/65/809740065.db2.gz KCVHGIROOIOMNB-UHFFFAOYSA-N -1 1 268.238 3.444 20 0 CGADMM Cn1ncc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc21 ZINC001176670083 809740107 /nfs/dbraw/zinc/74/01/07/809740107.db2.gz QPMBNARDFOESSA-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM Nc1ccc(F)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176673324 809741145 /nfs/dbraw/zinc/74/11/45/809741145.db2.gz STDCUOOLNGSGNM-UHFFFAOYSA-N -1 1 272.201 3.274 20 0 CGADMM Cc1cc(Nc2ccc(C(=O)[O-])cc2)n(-c2ccncc2)n1 ZINC001176710085 809745881 /nfs/dbraw/zinc/74/58/81/809745881.db2.gz DMLITKVRYPEGND-UHFFFAOYSA-N -1 1 294.314 3.018 20 0 CGADMM O=C(Nc1cccc(-c2ccon2)c1)c1cccc([O-])c1F ZINC001178761499 809886699 /nfs/dbraw/zinc/88/66/99/809886699.db2.gz YXUNXOBEXHOCQJ-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM O=c1ccc2cc(Nc3ccc(F)c(F)c3[O-])ccc2[nH]1 ZINC001213782040 815331933 /nfs/dbraw/zinc/33/19/33/815331933.db2.gz XSAADEFXIIKRTC-UHFFFAOYSA-N -1 1 288.253 3.256 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2ccsc2)cc(C)c1F ZINC001185391391 810261049 /nfs/dbraw/zinc/26/10/49/810261049.db2.gz JPTPABKBCBDQQC-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])NC1CCCC1 ZINC001185895133 810300884 /nfs/dbraw/zinc/30/08/84/810300884.db2.gz KHWMSWYXJAIUDM-UHFFFAOYSA-N -1 1 254.717 3.110 20 0 CGADMM CC(C)c1cccc(NC(=O)c2ccc([O-])c(F)c2)n1 ZINC001186208753 810321152 /nfs/dbraw/zinc/32/11/52/810321152.db2.gz ITTOMNLCNOCWIC-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM O=S(=O)([N-]c1cc2ccccc2s1)C1CCC1 ZINC001188104373 810454337 /nfs/dbraw/zinc/45/43/37/810454337.db2.gz BWSRCOXGNGOOLF-UHFFFAOYSA-N -1 1 267.375 3.196 20 0 CGADMM Cc1nc(SCC2CC(C)(C)C2)[n-]c(=O)c1C ZINC001189062517 810540398 /nfs/dbraw/zinc/54/03/98/810540398.db2.gz XVXKERDRYYEGLP-UHFFFAOYSA-N -1 1 252.383 3.327 20 0 CGADMM Cc1ccc(Nc2cc(F)c([O-])cc2F)c(N)c1 ZINC001214189982 815380457 /nfs/dbraw/zinc/38/04/57/815380457.db2.gz CXQONEHIZUBVJU-UHFFFAOYSA-N -1 1 250.248 3.305 20 0 CGADMM Nc1ccc(F)cc1Nc1c([O-])cc(F)cc1F ZINC001214206198 815383765 /nfs/dbraw/zinc/38/37/65/815383765.db2.gz CLHCMHGEQJXWQZ-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM Cc1nonc1Nc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC001214508833 815418455 /nfs/dbraw/zinc/41/84/55/815418455.db2.gz FNPUUNLBVQPINK-UHFFFAOYSA-N -1 1 288.090 3.127 20 0 CGADMM CCn1nccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214477385 815415530 /nfs/dbraw/zinc/41/55/30/815415530.db2.gz KISCCHAWJXMILE-UHFFFAOYSA-N -1 1 255.680 3.145 20 0 CGADMM Cc1nn(C)c(C)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214479867 815415604 /nfs/dbraw/zinc/41/56/04/815415604.db2.gz HKAGTTUQTALJCO-UHFFFAOYSA-N -1 1 269.707 3.279 20 0 CGADMM Cc1ncc(Nc2cc(F)c([O-])c(Cl)c2)c(C)n1 ZINC001214483013 815416012 /nfs/dbraw/zinc/41/60/12/815416012.db2.gz YVWAZJYLINDEMB-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM COc1ccc(Nc2cc(F)c([O-])c(Cl)c2)c(CO)c1 ZINC001214489670 815417651 /nfs/dbraw/zinc/41/76/51/815417651.db2.gz GKFQJGVSYJYXFV-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM CC(C)(C)COC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001194385685 811065041 /nfs/dbraw/zinc/06/50/41/811065041.db2.gz UGZIYNISWDCZDH-UHFFFAOYSA-N -1 1 259.252 3.265 20 0 CGADMM O=C(Nc1cnc(C2CC2)s1)c1cc([O-])cnc1Cl ZINC001195297594 811238517 /nfs/dbraw/zinc/23/85/17/811238517.db2.gz DRTSKCRSPAFOTH-UHFFFAOYSA-N -1 1 295.751 3.027 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2ccc(F)c3cnccc23)n1 ZINC001195330060 811242608 /nfs/dbraw/zinc/24/26/08/811242608.db2.gz LCRXRLZRZXOEAH-UHFFFAOYSA-N -1 1 297.289 3.035 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc(F)c2CO)cc1F ZINC001214618906 815433417 /nfs/dbraw/zinc/43/34/17/815433417.db2.gz JHBXAUWRNPREQJ-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(C)cc1Cl ZINC001195449376 811256245 /nfs/dbraw/zinc/25/62/45/811256245.db2.gz UEJDHQYJUAADEC-UHFFFAOYSA-N -1 1 272.757 3.091 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccccc1-c1ccco1 ZINC001195493172 811261495 /nfs/dbraw/zinc/26/14/95/811261495.db2.gz YXRRYRBDFPPYKO-UHFFFAOYSA-N -1 1 290.344 3.390 20 0 CGADMM [O-]c1cccc(NC(=S)Nc2cccnc2)c1Cl ZINC001199901669 811606933 /nfs/dbraw/zinc/60/69/33/811606933.db2.gz VKZOBJLIJJRJBW-UHFFFAOYSA-N -1 1 279.752 3.250 20 0 CGADMM [O-]c1cc(F)c(F)cc1NC(=S)NC1CCCCC1 ZINC001200650060 811727298 /nfs/dbraw/zinc/72/72/98/811727298.db2.gz UJVNLLIAILDLQO-UHFFFAOYSA-N -1 1 286.347 3.290 20 0 CGADMM O=C(Nc1ccccc1F)Nc1cc([O-])c(F)cc1F ZINC001202000858 811993302 /nfs/dbraw/zinc/99/33/02/811993302.db2.gz HKNZXEBJQAYXDO-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM COc1ccc(NC(=O)Nc2cc(Cl)ncc2[O-])cc1 ZINC001202385617 812082231 /nfs/dbraw/zinc/08/22/31/812082231.db2.gz UDOACRBZSGJXKA-UHFFFAOYSA-N -1 1 293.710 3.093 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(F)c3n[nH]cc32)cc1F ZINC001215380061 815512568 /nfs/dbraw/zinc/51/25/68/815512568.db2.gz HFIALQKVORBOHU-UHFFFAOYSA-N -1 1 279.221 3.429 20 0 CGADMM Cc1ccc(Nc2cc([O-])c(F)c(F)c2)c(C)n1 ZINC001203375293 812331279 /nfs/dbraw/zinc/33/12/79/812331279.db2.gz VHICMDAOGMCKRK-UHFFFAOYSA-N -1 1 250.248 3.426 20 0 CGADMM CC(C)(C)c1nnc([N-]c2ccc3cncnc3c2)o1 ZINC001203696728 812430354 /nfs/dbraw/zinc/43/03/54/812430354.db2.gz SLEABSIASHGSHQ-UHFFFAOYSA-N -1 1 269.308 3.054 20 0 CGADMM COC(=O)c1cc(Nc2cc(F)c([O-])cc2F)ccc1F ZINC001215574214 815538301 /nfs/dbraw/zinc/53/83/01/815538301.db2.gz ZJKAYOXQDLYMCB-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM COc1ccc(N)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001215572044 815537484 /nfs/dbraw/zinc/53/74/84/815537484.db2.gz UGAWIKGYFILFRP-UHFFFAOYSA-N -1 1 266.247 3.005 20 0 CGADMM COc1cc(C)cc(F)c1Nc1cc(=O)[n-]c(SC)n1 ZINC001215705987 815563247 /nfs/dbraw/zinc/56/32/47/815563247.db2.gz OVIFAUMBHOXFQS-UHFFFAOYSA-N -1 1 295.339 3.104 20 0 CGADMM CN(C)Cc1ccc(-c2ccsc2C(=O)[O-])cc1F ZINC001205614001 813024635 /nfs/dbraw/zinc/02/46/35/813024635.db2.gz IMMASXAXHUCEJG-UHFFFAOYSA-N -1 1 279.336 3.314 20 0 CGADMM CCOc1ccc(C)c(F)c1[N-]c1nc(C)ns1 ZINC001215760356 815580222 /nfs/dbraw/zinc/58/02/22/815580222.db2.gz MPQVQOBXEMMJCM-UHFFFAOYSA-N -1 1 267.329 3.436 20 0 CGADMM Cc1ccc(Nc2c([O-])cc(F)cc2F)c(O)c1 ZINC001206274555 813267000 /nfs/dbraw/zinc/26/70/00/813267000.db2.gz LGXKDUVPNVLECU-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM CN(C)Cc1ccc(-c2csc(C(=O)[O-])c2)cc1F ZINC001206303900 813280726 /nfs/dbraw/zinc/28/07/26/813280726.db2.gz UFOCZNSKDYFULX-UHFFFAOYSA-N -1 1 279.336 3.314 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc2c(c1)OCC2 ZINC001206672180 813394990 /nfs/dbraw/zinc/39/49/90/813394990.db2.gz OUQALSGBGARZBD-UHFFFAOYSA-N -1 1 262.696 3.119 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc([C@H](C)O)cc3)ccc2[n-]1 ZINC001242644255 823077168 /nfs/dbraw/zinc/07/71/68/823077168.db2.gz DJAMHQUEMWUDJU-JTQLQIEISA-N -1 1 296.326 3.070 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc([C@H](C)O)cc3)cc2[n-]1 ZINC001242644255 823077172 /nfs/dbraw/zinc/07/71/72/823077172.db2.gz DJAMHQUEMWUDJU-JTQLQIEISA-N -1 1 296.326 3.070 20 0 CGADMM C=Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(N)c1 ZINC001209942683 814206600 /nfs/dbraw/zinc/20/66/00/814206600.db2.gz LIXQQDPJKPVYNG-UHFFFAOYSA-N -1 1 288.372 3.021 20 0 CGADMM Nc1cncc(Nc2ccc(F)c(Br)c2[O-])c1 ZINC001210441656 814457534 /nfs/dbraw/zinc/45/75/34/814457534.db2.gz CGICHSFPCWMJAE-UHFFFAOYSA-N -1 1 298.115 3.015 20 0 CGADMM O=C(NCCc1c(F)cc([O-])cc1F)Nc1ccsc1 ZINC001215864570 815617602 /nfs/dbraw/zinc/61/76/02/815617602.db2.gz QWTPZKKPXOLPJU-UHFFFAOYSA-N -1 1 298.314 3.096 20 0 CGADMM CSc1cc(C)ccc1Nc1cc(=O)[n-]c(N(C)C)n1 ZINC001215872252 815619820 /nfs/dbraw/zinc/61/98/20/815619820.db2.gz MINPSSBXPPHHAF-UHFFFAOYSA-N -1 1 290.392 3.022 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1cc(O)ccc1F ZINC001210799837 814632698 /nfs/dbraw/zinc/63/26/98/814632698.db2.gz GXYGVOYJHRGDDV-UHFFFAOYSA-N -1 1 287.246 3.087 20 0 CGADMM [O-]c1cccc(-c2cnc(N3CCCCC3)nc2)c1Cl ZINC001242799977 823136541 /nfs/dbraw/zinc/13/65/41/823136541.db2.gz INXMLRQBTGVZFM-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM CC1(c2ccnc(-c3cccc([O-])c3Cl)c2)OCCO1 ZINC001242800512 823136600 /nfs/dbraw/zinc/13/66/00/823136600.db2.gz IGIVIECRBQUXRU-UHFFFAOYSA-N -1 1 291.734 3.327 20 0 CGADMM Cc1ccc(S(C)(=O)=O)cc1-c1cccc([O-])c1Cl ZINC001242800418 823136629 /nfs/dbraw/zinc/13/66/29/823136629.db2.gz IHVOSKLGZKHJOE-UHFFFAOYSA-N -1 1 296.775 3.425 20 0 CGADMM CC(=O)Nc1cc(C)c(-c2cccc([O-])c2Cl)cn1 ZINC001242802445 823137990 /nfs/dbraw/zinc/13/79/90/823137990.db2.gz HUNVBGJZBLGUEW-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3cncnc3c2)cc1F ZINC001211339143 814881836 /nfs/dbraw/zinc/88/18/36/814881836.db2.gz LHKTXCQNWMQVLS-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)[C@H](O)CCO3)cc1F ZINC001211350187 814883365 /nfs/dbraw/zinc/88/33/65/814883365.db2.gz OTVXKIWUSOAWRN-CYBMUJFWSA-N -1 1 278.254 3.153 20 0 CGADMM COc1cc(C)c(-c2cc(F)c([O-])cc2F)c(C)n1 ZINC001211353522 814885489 /nfs/dbraw/zinc/88/54/89/814885489.db2.gz XKSKNXYPKOMROR-UHFFFAOYSA-N -1 1 265.259 3.358 20 0 CGADMM CSc1nc(Nc2cc(C3CC3)cnc2F)cc(=O)[n-]1 ZINC001215954798 815639679 /nfs/dbraw/zinc/63/96/79/815639679.db2.gz IHRXLKDJOUZAKO-UHFFFAOYSA-N -1 1 292.339 3.059 20 0 CGADMM COc1ccc(-c2noc(-c3cccc([O-])c3F)n2)cc1 ZINC001215989164 815653210 /nfs/dbraw/zinc/65/32/10/815653210.db2.gz SSUSQLRDNQGWQF-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM CC(C)c1ccc(N)c(-n2[n-]c(=O)c3ccc(N)cc32)c1 ZINC001216023954 815664223 /nfs/dbraw/zinc/66/42/23/815664223.db2.gz QIBWPFKUDATNHD-UHFFFAOYSA-N -1 1 282.347 3.019 20 0 CGADMM COc1c(O)cccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001216354559 815797917 /nfs/dbraw/zinc/79/79/17/815797917.db2.gz ZHJRXZYMOOALOW-UHFFFAOYSA-N -1 1 297.314 3.036 20 0 CGADMM COc1cc(Nc2ccc(F)c(F)c2[O-])c(Cl)cn1 ZINC001216387217 815808101 /nfs/dbraw/zinc/80/81/01/815808101.db2.gz GOIJSINSFARPDS-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccc(C)cn3)cc2[n-]1 ZINC001242906690 823169505 /nfs/dbraw/zinc/16/95/05/823169505.db2.gz GTSZWJAFUWNHBK-UHFFFAOYSA-N -1 1 281.315 3.110 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccc(C)cn3)ccc2[n-]1 ZINC001242906690 823169509 /nfs/dbraw/zinc/16/95/09/823169509.db2.gz GTSZWJAFUWNHBK-UHFFFAOYSA-N -1 1 281.315 3.110 20 0 CGADMM O=C([O-])C1(c2ccc(-c3cccc4nc[nH]c43)cc2)CC1 ZINC001222679067 816497578 /nfs/dbraw/zinc/49/75/78/816497578.db2.gz UBJMACUUMKNEGA-UHFFFAOYSA-N -1 1 278.311 3.346 20 0 CGADMM O=C([O-])C1(c2ccc(-c3cccn4cncc34)cc2)CC1 ZINC001222694532 816501491 /nfs/dbraw/zinc/50/14/91/816501491.db2.gz POZRWDUZKSWCLU-UHFFFAOYSA-N -1 1 278.311 3.118 20 0 CGADMM C[C@@H](OCC[P@](=O)([O-])O)c1ccc(Cl)c(Cl)c1 ZINC001224604722 816832541 /nfs/dbraw/zinc/83/25/41/816832541.db2.gz FNXAZVSWAOTXLU-SSDOTTSWSA-N -1 1 299.090 3.249 20 0 CGADMM Cc1nc(-c2ccc(F)c([O-])c2)nc2ccccc12 ZINC001243053914 823229479 /nfs/dbraw/zinc/22/94/79/823229479.db2.gz IJYVQCOZBHRCQF-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)Cc1ccco1 ZINC001225617963 817113682 /nfs/dbraw/zinc/11/36/82/817113682.db2.gz BBPBBZVOXQMZLI-JTQLQIEISA-N -1 1 260.289 3.198 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCCC[C@@H]1C ZINC001225680432 817139249 /nfs/dbraw/zinc/13/92/49/817139249.db2.gz ZVHUGONCMLUGQW-TVQRCGJNSA-N -1 1 264.321 3.258 20 0 CGADMM O=c1cc(O[C@@H](c2ccccc2)C2CC2)[nH]c(=S)[n-]1 ZINC001225761470 817169593 /nfs/dbraw/zinc/16/95/93/817169593.db2.gz OOSFBEHMKVFDKK-ZDUSSCGKSA-N -1 1 274.345 3.001 20 0 CGADMM CC[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1F ZINC001225766431 817171153 /nfs/dbraw/zinc/17/11/53/817171153.db2.gz SUJCYXOHEWRFBN-SNVBAGLBSA-N -1 1 280.324 3.140 20 0 CGADMM O=c1cc(O[C@@H]2Cc3cccc4cccc2c34)[nH]c(=S)[n-]1 ZINC001225766701 817171480 /nfs/dbraw/zinc/17/14/80/817171480.db2.gz WLCLYONUGASATO-GFCCVEGCSA-N -1 1 296.351 3.300 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H]1CCCc2ccccc21 ZINC001226243222 817308656 /nfs/dbraw/zinc/30/86/56/817308656.db2.gz ZKEHSNHVEBYQDA-GFCCVEGCSA-N -1 1 288.372 3.230 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H](C)CCc1ccccc1 ZINC001226241924 817309028 /nfs/dbraw/zinc/30/90/28/817309028.db2.gz DKZYBDATYQYYGF-NSHDSACASA-N -1 1 290.388 3.174 20 0 CGADMM CCC[C@H](Oc1cnc[n-]c1=O)C1CCCCC1 ZINC001227049496 817543445 /nfs/dbraw/zinc/54/34/45/817543445.db2.gz VMFNRBBKFGRUTL-LBPRGKRZSA-N -1 1 250.342 3.310 20 0 CGADMM COc1ccc([C@H](C)Oc2[n-]c(=O)nc(C)c2Cl)cc1 ZINC001227111732 817561589 /nfs/dbraw/zinc/56/15/89/817561589.db2.gz QFNPVWSPGGCJDE-VIFPVBQESA-N -1 1 294.738 3.293 20 0 CGADMM Cc1cnc(F)c([C@H](C)Oc2[n-]c(=O)nc(C)c2Cl)c1 ZINC001227113748 817561969 /nfs/dbraw/zinc/56/19/69/817561969.db2.gz VRWHOWXVJLMYLC-QMMMGPOBSA-N -1 1 297.717 3.127 20 0 CGADMM CCCC[C@H](C)Oc1cc([O-])ccc1C(=O)COC ZINC001227168145 817578844 /nfs/dbraw/zinc/57/88/44/817578844.db2.gz FQJJFZFWPNBTSO-NSHDSACASA-N -1 1 266.337 3.179 20 0 CGADMM Cc1cc(C(=O)[O-])cc(-c2cc3nc[nH]c3cc2F)c1 ZINC001243181368 823277029 /nfs/dbraw/zinc/27/70/29/823277029.db2.gz ZALAFEDCHMMQBH-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM C[C@H](Oc1[n-]c(=O)nc2c1COC2)c1ccc(Cl)cc1 ZINC001227690288 817694061 /nfs/dbraw/zinc/69/40/61/817694061.db2.gz KRJDRSDAFWTXQN-QMMMGPOBSA-N -1 1 292.722 3.006 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1-c1cccc2nc[nH]c21 ZINC001243203059 823288416 /nfs/dbraw/zinc/28/84/16/823288416.db2.gz HRHPIYKNOHQIQV-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM Cc1cc(=O)cc(OC(=C([O-])c2ccco2)c2ccco2)[nH]1 ZINC001228121413 817817352 /nfs/dbraw/zinc/81/73/52/817817352.db2.gz KAPGOJVJBIYJCD-MRXNPFEDSA-N -1 1 299.282 3.285 20 0 CGADMM O=C(c1ccccc1)c1ccc([O-])cc1OC[C@H]1CCCO1 ZINC001228185883 817834393 /nfs/dbraw/zinc/83/43/93/817834393.db2.gz LLESKZFXOOSDGQ-OAHLLOKOSA-N -1 1 298.338 3.181 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001228553813 817936685 /nfs/dbraw/zinc/93/66/85/817936685.db2.gz DVFFZVJEIXXGRF-RBZYPMLTSA-N -1 1 274.316 3.034 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)c1nccs1 ZINC001228557569 817938134 /nfs/dbraw/zinc/93/81/34/817938134.db2.gz XUSDTTFZDYGTRV-QMMMGPOBSA-N -1 1 293.344 3.287 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1C=CCCC1 ZINC001228556467 817938498 /nfs/dbraw/zinc/93/84/98/817938498.db2.gz PFAVGTLPNRZBEE-NSHDSACASA-N -1 1 262.305 3.178 20 0 CGADMM C[C@H](Oc1[n-]c(=S)nc2ccccc21)c1ccncc1 ZINC001228760190 818002163 /nfs/dbraw/zinc/00/21/63/818002163.db2.gz KEFDIUDLCNOCIQ-JTQLQIEISA-N -1 1 283.356 3.454 20 0 CGADMM S=c1nc2ccccc2c(O[C@@H]2C=CCCC2)[n-]1 ZINC001228765058 818003501 /nfs/dbraw/zinc/00/35/01/818003501.db2.gz LTJDDDJQSMQPAH-SNVBAGLBSA-N -1 1 258.346 3.406 20 0 CGADMM CC(C)Oc1ccccc1C(=O)c1ccc([O-])cc1 ZINC001231228568 818062251 /nfs/dbraw/zinc/06/22/51/818062251.db2.gz HEYARPNQMPGGBK-UHFFFAOYSA-N -1 1 256.301 3.410 20 0 CGADMM CN(Cc1cncs1)Cc1ccc(Cl)c([O-])c1 ZINC001231734623 818163869 /nfs/dbraw/zinc/16/38/69/818163869.db2.gz CIHJDCGOCCLYCP-UHFFFAOYSA-N -1 1 268.769 3.134 20 0 CGADMM Cc1cccc(CN(C)Cc2ccccc2OCC(=O)[O-])c1 ZINC001231789808 818176512 /nfs/dbraw/zinc/17/65/12/818176512.db2.gz XMHDNTSNTJBTFR-UHFFFAOYSA-N -1 1 299.370 3.090 20 0 CGADMM [O-]c1c(F)ccc(CN2CC[C@H](F)C(F)(F)CC2)c1F ZINC001232930958 818475543 /nfs/dbraw/zinc/47/55/43/818475543.db2.gz HPONISOLGAWOFI-JTQLQIEISA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC(C(F)F)CC2)c1F ZINC001232936395 818477642 /nfs/dbraw/zinc/47/76/42/818477642.db2.gz CHYBVJITALLBQZ-UHFFFAOYSA-N -1 1 277.261 3.148 20 0 CGADMM C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(F)c([O-])c2F)C1 ZINC001232936929 818477784 /nfs/dbraw/zinc/47/77/84/818477784.db2.gz IPGQMRQYYOCNRQ-AOOOYVTPSA-N -1 1 255.308 3.148 20 0 CGADMM CN(Cc1ccsc1)Cc1ccc(F)c([O-])c1F ZINC001232934999 818478249 /nfs/dbraw/zinc/47/82/49/818478249.db2.gz MCVPVGPILUUMJM-UHFFFAOYSA-N -1 1 269.316 3.364 20 0 CGADMM Cc1ncccc1CN(C)Cc1ccc(F)c([O-])c1F ZINC001232941039 818479264 /nfs/dbraw/zinc/47/92/64/818479264.db2.gz TXLDKXCKASJAEM-UHFFFAOYSA-N -1 1 278.302 3.006 20 0 CGADMM [O-]c1cc(CN2CCC[C@@H]2c2ccccn2)cc(F)c1F ZINC001232970544 818487274 /nfs/dbraw/zinc/48/72/74/818487274.db2.gz GFHBYWQXOGXYEO-CQSZACIVSA-N -1 1 290.313 3.403 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001233032788 818506645 /nfs/dbraw/zinc/50/66/45/818506645.db2.gz TTXIVUZSEMVQLY-SNVBAGLBSA-N -1 1 294.704 3.010 20 0 CGADMM CN(Cc1cccc(F)c1F)Cc1cc(Cl)ncc1[O-] ZINC001233038413 818506984 /nfs/dbraw/zinc/50/69/84/818506984.db2.gz UUUVCMINLDVFKU-UHFFFAOYSA-N -1 1 298.720 3.351 20 0 CGADMM Nc1cnc2cc(-c3ccc([O-])c(F)c3F)ccc2c1 ZINC001243340749 823354819 /nfs/dbraw/zinc/35/48/19/823354819.db2.gz HERJBQYKIPMORG-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM CCOc1ccc(-c2ccc([O-])c(F)c2F)cn1 ZINC001243342517 823357595 /nfs/dbraw/zinc/35/75/95/823357595.db2.gz PWMGSEIOXMGZOB-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM COC(=O)c1cccc(-c2ccc([O-])c(F)c2F)c1F ZINC001243342320 823358023 /nfs/dbraw/zinc/35/80/23/823358023.db2.gz GQZVVNKJECNQRA-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COC(=O)c1cccc2[n-]c(O[C@H]3CCCC[C@H]3F)nc21 ZINC001234043584 818766593 /nfs/dbraw/zinc/76/65/93/818766593.db2.gz DNDHIFQKRRJQDB-PWSUYJOCSA-N -1 1 292.310 3.009 20 0 CGADMM COC(=O)c1cccc2nc(O[C@H]3CCCC[C@H]3F)[n-]c21 ZINC001234043584 818766602 /nfs/dbraw/zinc/76/66/02/818766602.db2.gz DNDHIFQKRRJQDB-PWSUYJOCSA-N -1 1 292.310 3.009 20 0 CGADMM O=C1Cc2cc(-c3cccc(C4CC4)c3)ccc2C(=O)[N-]1 ZINC001236087670 819309566 /nfs/dbraw/zinc/30/95/66/819309566.db2.gz MNAZTWGWENPMLF-UHFFFAOYSA-N -1 1 277.323 3.044 20 0 CGADMM O=C([O-])c1c(Cl)ccc(-c2cccc3[nH]nnc32)c1F ZINC001236163949 819351414 /nfs/dbraw/zinc/35/14/14/819351414.db2.gz GKUUCYMJKSFTAC-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM Cc1ccc(F)c(-c2ccc3cccnc3n2)c1[O-] ZINC001236392336 819447861 /nfs/dbraw/zinc/44/78/61/819447861.db2.gz NYLPDAPUUTYPIZ-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM Cc1nc2ncc(-c3c(F)ccc(C)c3[O-])nc2s1 ZINC001236393352 819448645 /nfs/dbraw/zinc/44/86/45/819448645.db2.gz SFYYBNAZHXJWMG-UHFFFAOYSA-N -1 1 275.308 3.215 20 0 CGADMM CSc1ccc(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243503191 823421921 /nfs/dbraw/zinc/42/19/21/823421921.db2.gz QZJOZBIEUQYNJX-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM O=c1cc(-c2cc(F)cc(F)c2[O-])ccn1-c1ccccc1 ZINC001243505839 823424072 /nfs/dbraw/zinc/42/40/72/823424072.db2.gz WFCQALPXABSHHG-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@@H](CF)C2)cc1Cl ZINC001237987694 819902575 /nfs/dbraw/zinc/90/25/75/819902575.db2.gz BWMIBLAHJAKVRB-VIFPVBQESA-N -1 1 275.726 3.366 20 0 CGADMM CCN(CC)c1cc(-c2ccc(Cl)c([O-])c2)ncn1 ZINC001243576245 823450993 /nfs/dbraw/zinc/45/09/93/823450993.db2.gz KZIPGKOQWTUCQG-UHFFFAOYSA-N -1 1 277.755 3.349 20 0 CGADMM CSc1nc(-c2ccc(Cl)c([O-])c2)ncc1F ZINC001243576797 823451109 /nfs/dbraw/zinc/45/11/09/823451109.db2.gz VCBDIWLLMHGTJI-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM [O-]c1cc(-c2ncnc3c2CCCC3)ccc1Cl ZINC001243576457 823451120 /nfs/dbraw/zinc/45/11/20/823451120.db2.gz OUDLUHNOODPSNF-UHFFFAOYSA-N -1 1 260.724 3.381 20 0 CGADMM COC(=O)c1cc(-c2ccc(Cl)c([O-])c2)ncc1C ZINC001243577043 823451215 /nfs/dbraw/zinc/45/12/15/823451215.db2.gz ZCRUJMUJZARKME-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CC(=O)Nc1cccc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243576244 823451384 /nfs/dbraw/zinc/45/13/84/823451384.db2.gz KXOKJNYZWKRYEC-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM [O-]c1cc(-c2ccc(Cn3cncn3)cc2)ccc1Cl ZINC001243579185 823453035 /nfs/dbraw/zinc/45/30/35/823453035.db2.gz XXIIKAKGQXBSMZ-UHFFFAOYSA-N -1 1 285.734 3.352 20 0 CGADMM [O-]c1cc(-c2ccc(-c3nn[nH]n3)c(F)c2)ccc1Cl ZINC001243584457 823455602 /nfs/dbraw/zinc/45/56/02/823455602.db2.gz SZWZEIRDHBMSQT-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccc(C)nc3C)ccc2[n-]1 ZINC001239468367 820318135 /nfs/dbraw/zinc/31/81/35/820318135.db2.gz CGNRIBCFUYQBPG-UHFFFAOYSA-N -1 1 295.342 3.418 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccc(C)nc3C)cc2[n-]1 ZINC001239468367 820318145 /nfs/dbraw/zinc/31/81/45/820318145.db2.gz CGNRIBCFUYQBPG-UHFFFAOYSA-N -1 1 295.342 3.418 20 0 CGADMM COC(=O)c1nc2ccc(-c3c(C)cc(C)cc3C)[n-]c-2n1 ZINC001239551397 820403918 /nfs/dbraw/zinc/40/39/18/820403918.db2.gz YEFBXFGVQIQGMD-UHFFFAOYSA-N -1 1 295.342 3.337 20 0 CGADMM COC(=O)/C=C/c1cc(C)cnc1-c1cc(F)ccc1[O-] ZINC001240693390 821249110 /nfs/dbraw/zinc/24/91/10/821249110.db2.gz AGEGBCBKUMQOPE-ZZXKWVIFSA-N -1 1 287.290 3.088 20 0 CGADMM CCOC(=O)c1c(C)ccnc1-c1cc(F)ccc1[O-] ZINC001240694452 821251225 /nfs/dbraw/zinc/25/12/25/821251225.db2.gz VAFWQIMWUCCAIH-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM COc1c(C)nc(C2CC2)nc1-c1cc(F)ccc1[O-] ZINC001240696257 821252084 /nfs/dbraw/zinc/25/20/84/821252084.db2.gz KGIVTCBYXUNPNL-UHFFFAOYSA-N -1 1 274.295 3.183 20 0 CGADMM COc1cc(C(=O)[O-])ccc1-c1cc2nc[nH]c2cc1F ZINC001240735819 821288430 /nfs/dbraw/zinc/28/84/30/821288430.db2.gz FZPYSQONYVZJKC-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM [O-]c1ccc(-c2cnc3ccc(F)cc3n2)cc1F ZINC001240783874 821323413 /nfs/dbraw/zinc/32/34/13/821323413.db2.gz ZGDUDRXGAFIAHH-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc(N(C)C)c3)ccc2[n-]1 ZINC001240985274 821467374 /nfs/dbraw/zinc/46/73/74/821467374.db2.gz ZKRQYOKALHWCQR-UHFFFAOYSA-N -1 1 295.342 3.083 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc(N(C)C)c3)cc2[n-]1 ZINC001240985274 821467379 /nfs/dbraw/zinc/46/73/79/821467379.db2.gz ZKRQYOKALHWCQR-UHFFFAOYSA-N -1 1 295.342 3.083 20 0 CGADMM COc1cc2cnc(-c3ccc(C)cc3[O-])nc2cc1OC ZINC001241031086 821506410 /nfs/dbraw/zinc/50/64/10/821506410.db2.gz XUUWNLDSLZPBSX-UHFFFAOYSA-N -1 1 296.326 3.328 20 0 CGADMM Cc1cc(-c2c(F)cc([O-])cc2F)nc(-c2ccncc2)n1 ZINC001241119765 821576097 /nfs/dbraw/zinc/57/60/97/821576097.db2.gz KGBLOFIBEUPNHG-UHFFFAOYSA-N -1 1 299.280 3.498 20 0 CGADMM Cc1nc(-c2cccnc2)cc(-c2c(F)cc([O-])cc2F)n1 ZINC001241120223 821576266 /nfs/dbraw/zinc/57/62/66/821576266.db2.gz WRCRSLDAEHACLL-UHFFFAOYSA-N -1 1 299.280 3.498 20 0 CGADMM Nc1cnc2cc(-c3c(F)cc([O-])cc3F)ccc2c1 ZINC001241121435 821577368 /nfs/dbraw/zinc/57/73/68/821577368.db2.gz JZEFLJHHSSWPNL-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM COc1cc(-c2c(F)cc([O-])cc2F)cnc1C ZINC001241122713 821580153 /nfs/dbraw/zinc/58/01/53/821580153.db2.gz WJQKTLRJDMNBQJ-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CC(C)c1ncc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241124181 821581432 /nfs/dbraw/zinc/58/14/32/821581432.db2.gz CHMXBUMLNRCSAD-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM COc1cc(-c2c(F)cc([O-])cc2F)cc(C)n1 ZINC001241124702 821582044 /nfs/dbraw/zinc/58/20/44/821582044.db2.gz KDJNWBMDVAZUSZ-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COc1cnc(-c2c(F)ccc([O-])c2F)c2[nH]ccc21 ZINC001241288927 821706435 /nfs/dbraw/zinc/70/64/35/821706435.db2.gz BTTIFUDCDZZUBO-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM CCCc1cc(-c2c(F)ccc([O-])c2F)ncn1 ZINC001241289787 821707007 /nfs/dbraw/zinc/70/70/07/821707007.db2.gz DPQCSPUYYZJYFN-UHFFFAOYSA-N -1 1 250.248 3.080 20 0 CGADMM CSc1cc(C)nc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291206 821708174 /nfs/dbraw/zinc/70/81/74/821708174.db2.gz JFCYLECNPMOFCW-UHFFFAOYSA-N -1 1 268.288 3.158 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(OC(F)F)cn2)c1F ZINC001241291138 821708293 /nfs/dbraw/zinc/70/82/93/821708293.db2.gz GANHZSDCHQRVBY-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(SC)nc3)ccc2[n-]1 ZINC001241634584 822013921 /nfs/dbraw/zinc/01/39/21/822013921.db2.gz XWULFRNJDRLASK-UHFFFAOYSA-N -1 1 299.355 3.133 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(SC)nc3)cc2[n-]1 ZINC001241634584 822013929 /nfs/dbraw/zinc/01/39/29/822013929.db2.gz XWULFRNJDRLASK-UHFFFAOYSA-N -1 1 299.355 3.133 20 0 CGADMM COC(=O)c1nc2cc(-c3cscc3C)ccc2[n-]1 ZINC001241728966 822108142 /nfs/dbraw/zinc/10/81/42/822108142.db2.gz CYCILVNZZSQYNM-UHFFFAOYSA-N -1 1 272.329 3.386 20 0 CGADMM COC(=O)c1nc2ccc(-c3cscc3C)cc2[n-]1 ZINC001241728966 822108146 /nfs/dbraw/zinc/10/81/46/822108146.db2.gz CYCILVNZZSQYNM-UHFFFAOYSA-N -1 1 272.329 3.386 20 0 CGADMM CCOc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nn1 ZINC001242147854 822893913 /nfs/dbraw/zinc/89/39/13/822893913.db2.gz GHUGDVNIJJRAEV-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM [O-]c1ccc(-c2ncncc2F)cc1C(F)(F)F ZINC001242147704 822894175 /nfs/dbraw/zinc/89/41/75/822894175.db2.gz FBJVKJIPDOAGRY-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM CCc1nnc(-c2ccc([O-])c(C(F)(F)F)c2)nc1CC ZINC001242157044 822898264 /nfs/dbraw/zinc/89/82/64/822898264.db2.gz BGUMMJQGSLDDDD-UHFFFAOYSA-N -1 1 297.280 3.388 20 0 CGADMM Nc1nccc(F)c1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242157966 822899241 /nfs/dbraw/zinc/89/92/41/822899241.db2.gz PLBYHJDVWYHCJT-UHFFFAOYSA-N -1 1 272.201 3.194 20 0 CGADMM [O-]c1cc(F)ccc1-c1ccc2ncnn2c1C(F)(F)F ZINC001242221081 822916664 /nfs/dbraw/zinc/91/66/64/822916664.db2.gz JFICUKQLMOLLDS-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM COc1cc(F)c(-c2ccc(F)cc2[O-])c(F)c1 ZINC001242220717 822917082 /nfs/dbraw/zinc/91/70/82/822917082.db2.gz MKPHPJUFKAJFQS-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM Cc1cccc(-c2ncc(C(F)(F)F)cn2)c1[O-] ZINC001242344308 822957177 /nfs/dbraw/zinc/95/71/77/822957177.db2.gz TVIJIRKVIGMRAS-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM COC(=O)c1c(F)cc(F)cc1-c1cccc(F)c1[O-] ZINC001242351933 822961951 /nfs/dbraw/zinc/96/19/51/822961951.db2.gz CHIPIJUQMYKYJD-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM Nc1noc2cc(-c3cccc(Cl)c3[O-])ccc12 ZINC001242365688 822969037 /nfs/dbraw/zinc/96/90/37/822969037.db2.gz IAVQSDSKZFKPHB-UHFFFAOYSA-N -1 1 260.680 3.436 20 0 CGADMM CC1(C)C[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC001358073716 937187092 /nfs/dbraw/zinc/18/70/92/937187092.db2.gz FZYXNPQGBDTRLM-VIFPVBQESA-N -1 1 283.755 3.189 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2C3CCCC2CCC3)c1 ZINC001136771899 928182012 /nfs/dbraw/zinc/18/20/12/928182012.db2.gz NDRDGJCSAWSWKL-UHFFFAOYSA-N -1 1 287.359 3.060 20 0 CGADMM Cc1ccc(C)c(NC(=O)c2ccc(F)c([O-])c2)c1 ZINC001440518432 937330615 /nfs/dbraw/zinc/33/06/15/937330615.db2.gz OEIRMVLBVCHRIV-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM O=C(Nc1ccc2sccc2c1)C(=O)c1ccc([O-])cc1 ZINC001440742270 937333976 /nfs/dbraw/zinc/33/39/76/937333976.db2.gz BTJXAPQHPZNOQA-UHFFFAOYSA-N -1 1 297.335 3.428 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(F)=C1CCC1 ZINC001441192255 937337209 /nfs/dbraw/zinc/33/72/09/937337209.db2.gz OFDXPHHHEVSJGN-UHFFFAOYSA-N -1 1 287.294 3.128 20 0 CGADMM C[C@H](CCC(C)(C)C)NC(=O)c1ccc(F)c([O-])c1 ZINC001444301826 937351180 /nfs/dbraw/zinc/35/11/80/937351180.db2.gz SKODCFILJNWKFP-SNVBAGLBSA-N -1 1 267.344 3.476 20 0 CGADMM CC(C)(C)C1CC(NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001450355845 937384382 /nfs/dbraw/zinc/38/43/82/937384382.db2.gz PGRXKXRHHURHDU-UHFFFAOYSA-N -1 1 265.328 3.086 20 0 CGADMM O=C([N-]c1ccsn1)c1snc(Cl)c1Cl ZINC001455117388 937414329 /nfs/dbraw/zinc/41/43/29/937414329.db2.gz BPKBVGKCYLAHHU-UHFFFAOYSA-N -1 1 280.161 3.159 20 0 CGADMM CC[C@H](C)[C@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135892 932102734 /nfs/dbraw/zinc/10/27/34/932102734.db2.gz RYUNHDCLECIOKM-UWVGGRQHSA-N -1 1 262.305 3.312 20 0 CGADMM [O-]c1cc(OC[C@@H]2CCCO2)c(Cl)cc1Cl ZINC001229406080 932146447 /nfs/dbraw/zinc/14/64/47/932146447.db2.gz JNBPWCKPCONQJX-ZETCQYMHSA-N -1 1 263.120 3.257 20 0 CGADMM COC(C[C@@H](C)Oc1cc([O-])c(Cl)cc1Cl)OC ZINC001229405999 932146539 /nfs/dbraw/zinc/14/65/39/932146539.db2.gz HDSFQJUBALFNFP-SSDOTTSWSA-N -1 1 295.162 3.475 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)c1cnn(C)c1C ZINC001229475231 932157479 /nfs/dbraw/zinc/15/74/79/932157479.db2.gz RJEKYKONVNWUAO-NSHDSACASA-N -1 1 288.347 3.167 20 0 CGADMM Clc1cc2[n-]c(O[C@@H]3C[C@H]4C[C@H]4C3)nc2c(Cl)n1 ZINC001231049320 932665778 /nfs/dbraw/zinc/66/57/78/932665778.db2.gz JGKBXDNIPYSHRG-KVSKUHBBSA-N -1 1 284.146 3.442 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001463803900 937681003 /nfs/dbraw/zinc/68/10/03/937681003.db2.gz ANSJZHJJTCCTTR-BFHYXJOUSA-N -1 1 288.391 3.184 20 0 CGADMM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc([O-])cn1 ZINC001463992008 937684250 /nfs/dbraw/zinc/68/42/50/937684250.db2.gz NLCCORJNGHOSDG-NSHDSACASA-N -1 1 296.326 3.367 20 0 CGADMM CCC(CC)[C@H](CCNC(=O)c1ccc([O-])cc1F)OC ZINC001466243560 937707215 /nfs/dbraw/zinc/70/72/15/937707215.db2.gz KDSZURYBIRIMRC-HNNXBMFYSA-N -1 1 297.370 3.102 20 0 CGADMM Cc1ccncc1/C=C/C(=O)Nc1ccc([O-])c(F)c1F ZINC001468004186 937723760 /nfs/dbraw/zinc/72/37/60/937723760.db2.gz ZSNKXAWGWZTTAO-GORDUTHDSA-N -1 1 290.269 3.026 20 0 CGADMM C[C@@H](C(=O)[N-]OC1CCCC1)c1ccc(F)c(F)c1 ZINC001319813939 933936814 /nfs/dbraw/zinc/93/68/14/933936814.db2.gz DVKLYGYZALMHBI-SECBINFHSA-N -1 1 269.291 3.059 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2ccc(F)c([O-])c2)CC12CCC2 ZINC001468507623 937728790 /nfs/dbraw/zinc/72/87/90/937728790.db2.gz ODLCCCXJQRCVNW-AWEZNQCLSA-N -1 1 277.339 3.182 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC001320296353 934027444 /nfs/dbraw/zinc/02/74/44/934027444.db2.gz FAECDASRHFJCIZ-YPMHNXCESA-N -1 1 277.339 3.184 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)c([O-])c1 ZINC001469047216 937734697 /nfs/dbraw/zinc/73/46/97/937734697.db2.gz ZPDUVZSFJUQMML-WCFLWFBJSA-N -1 1 276.380 3.040 20 0 CGADMM C[C@H]1CCC[C@@H](CNC(=O)c2ccc3ccccc3c2[O-])O1 ZINC001470215099 937749403 /nfs/dbraw/zinc/74/94/03/937749403.db2.gz SGSGJRRMLJOPLF-JSGCOSHPSA-N -1 1 299.370 3.233 20 0 CGADMM CCc1ccc(C(=O)Nc2c(C)cnn2CC2CC2)c([O-])c1 ZINC001321723019 934207622 /nfs/dbraw/zinc/20/76/22/934207622.db2.gz UOTNXEXZHQPBRW-UHFFFAOYSA-N -1 1 299.374 3.122 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001324290852 934481576 /nfs/dbraw/zinc/48/15/76/934481576.db2.gz WXOOITIBEDQWAX-VHSXEESVSA-N -1 1 271.307 3.162 20 0 CGADMM C[C@@H]1CCc2[n-]n(C[C@@H]3CCCC3(F)F)c(=O)c2C1 ZINC001330066676 935264818 /nfs/dbraw/zinc/26/48/18/935264818.db2.gz FZVBHFPGUTXVEE-VWYCJHECSA-N -1 1 270.323 3.056 20 0 CGADMM CC(C)Cc1c[nH]c(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001332176025 935446235 /nfs/dbraw/zinc/44/62/35/935446235.db2.gz RQISXXHPUHVJKN-UHFFFAOYSA-N -1 1 294.301 3.449 20 0 CGADMM CCC[C@H](C)C[C@H](NCc1cc2cccnc2o1)C(=O)[O-] ZINC001332473027 935472904 /nfs/dbraw/zinc/47/29/04/935472904.db2.gz CNJVXSMSIKYCBJ-FZMZJTMJSA-N -1 1 290.363 3.197 20 0 CGADMM Cc1oc(CN(C)C[C@@H]2CCCC(C)(C)O2)cc1C(=O)[O-] ZINC001334822919 936117484 /nfs/dbraw/zinc/11/74/84/936117484.db2.gz KRZIWGNXVXTIAK-LBPRGKRZSA-N -1 1 295.379 3.066 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCC[C@H](F)C1 ZINC001335017389 936126044 /nfs/dbraw/zinc/12/60/44/936126044.db2.gz IWIRZYGCMIMKMW-YUMQZZPRSA-N -1 1 273.254 3.137 20 0 CGADMM O=C([N-]c1nncs1)c1cc(Cl)cc(Cl)c1F ZINC001525179071 938047944 /nfs/dbraw/zinc/04/79/44/938047944.db2.gz MFOBMNBJNMQLEG-UHFFFAOYSA-N -1 1 292.122 3.236 20 0 CGADMM Cc1nocc1[N-]C(=O)c1ncsc1-c1ccccc1 ZINC001527078089 938060290 /nfs/dbraw/zinc/06/02/90/938060290.db2.gz ROYNGPKUJQOGOO-UHFFFAOYSA-N -1 1 285.328 3.359 20 0 CGADMM O=C([N-]Cc1cc(Cl)cc(Cl)c1F)C(F)F ZINC001532248149 938085708 /nfs/dbraw/zinc/08/57/08/938085708.db2.gz HEIXUNPAIOPXOI-UHFFFAOYSA-N -1 1 272.053 3.014 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2ncc3ccccc3c2[O-])[C@H]1C ZINC001540362257 938130529 /nfs/dbraw/zinc/13/05/29/938130529.db2.gz ZTKGZXKSGZLOLT-TYNCELHUSA-N -1 1 298.386 3.495 20 0 CGADMM CC(C)CCCNC(=O)c1ncc2ccccc2c1[O-] ZINC001540722136 938133374 /nfs/dbraw/zinc/13/33/74/938133374.db2.gz FUJGNMOUNMGRGK-UHFFFAOYSA-N -1 1 272.348 3.106 20 0 CGADMM C[C@H](c1cccnc1)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC001542506852 938136123 /nfs/dbraw/zinc/13/61/23/938136123.db2.gz UAFJCPNQIZRIJD-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM CC(C)[C@@H]1CCCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001543750142 938141371 /nfs/dbraw/zinc/14/13/71/938141371.db2.gz CDRWQMWRPCNKTD-GFCCVEGCSA-N -1 1 279.355 3.430 20 0 CGADMM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc([O-])cc1F ZINC001545099803 938148611 /nfs/dbraw/zinc/14/86/11/938148611.db2.gz DQVUERUWHHNDIY-CYBMUJFWSA-N -1 1 265.328 3.182 20 0 CGADMM CC1(C)CCCC[C@H]1NC(=O)c1cccc([O-])c1F ZINC001545539324 938149901 /nfs/dbraw/zinc/14/99/01/938149901.db2.gz YQRKKHKPOXIZHP-GFCCVEGCSA-N -1 1 265.328 3.230 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC[C@H]1C1CCCCC1 ZINC001551749750 938185222 /nfs/dbraw/zinc/18/52/22/938185222.db2.gz BGXKKUZYNKREDP-HNNXBMFYSA-N -1 1 277.339 3.326 20 0 CGADMM CC[C@H]1CCN(C(=O)c2cncc([O-])c2)c2ccccc21 ZINC001551915364 938188455 /nfs/dbraw/zinc/18/84/55/938188455.db2.gz HWWFWKGKXCZMMR-LBPRGKRZSA-N -1 1 282.343 3.331 20 0 CGADMM O=C(/C=C\c1cccc(F)c1)Nc1ccc([O-])c(F)c1F ZINC001556592214 938204615 /nfs/dbraw/zinc/20/46/15/938204615.db2.gz CETGEAPNTDZBHD-DAXSKMNVSA-N -1 1 293.244 3.461 20 0 CGADMM COCc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001556919750 938206464 /nfs/dbraw/zinc/20/64/64/938206464.db2.gz NZPOYDFVDFUNJB-UHFFFAOYSA-N -1 1 293.269 3.069 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1[O-])c1cc(Cl)ccc1O ZINC001556934241 938206674 /nfs/dbraw/zinc/20/66/74/938206674.db2.gz BZENZVQQSQBWHM-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM COc1cncc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC001557865035 938212274 /nfs/dbraw/zinc/21/22/74/938212274.db2.gz NVRFFLDQYANTJR-UHFFFAOYSA-N -1 1 286.331 3.172 20 0 CGADMM O=C(CCc1cccs1)Nc1cccc(F)c1[O-] ZINC001557955526 938212706 /nfs/dbraw/zinc/21/27/06/938212706.db2.gz CLVRYEMAIZUZSG-UHFFFAOYSA-N -1 1 265.309 3.164 20 0 CGADMM C/C(Cl)=C\C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001558644672 938216856 /nfs/dbraw/zinc/21/68/56/938216856.db2.gz UAQQIIQZQZGWOG-GORDUTHDSA-N -1 1 264.083 3.266 20 0 CGADMM CCCn1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)cn1 ZINC001558644395 938216868 /nfs/dbraw/zinc/21/68/68/938216868.db2.gz IUDCFNAWVYWGJF-UHFFFAOYSA-N -1 1 297.717 3.044 20 0 CGADMM O=C(NC1(C2CCCCC2)CC1)c1cccc([O-])c1F ZINC001558738468 938217434 /nfs/dbraw/zinc/21/74/34/938217434.db2.gz RQFMPENVICFCLK-UHFFFAOYSA-N -1 1 277.339 3.374 20 0 CGADMM Cc1cc(Cl)nc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC001594309318 958000061 /nfs/dbraw/zinc/00/00/61/958000061.db2.gz VFIUCAUXJBQJJE-UHFFFAOYSA-N -1 1 290.750 3.031 20 0 CGADMM C[C@H](c1ccc(F)c(F)c1)N1CCC(CC(=O)[O-])CC1 ZINC000093682531 958256342 /nfs/dbraw/zinc/25/63/42/958256342.db2.gz TWJQSOFGHOJRLT-SNVBAGLBSA-N -1 1 283.318 3.213 20 0 CGADMM C[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1ccsc1 ZINC000231031370 960182973 /nfs/dbraw/zinc/18/29/73/960182973.db2.gz LRPIGOVWSCXIAF-SECBINFHSA-N -1 1 279.336 3.436 20 0 CGADMM C[C@H](NCc1cccc(C(=O)[O-])n1)c1ccc(Cl)s1 ZINC000235518479 960450933 /nfs/dbraw/zinc/45/09/33/960450933.db2.gz WNQBCJILWOAYRJ-QMMMGPOBSA-N -1 1 296.779 3.346 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCCCC[C@H]1c1ccco1 ZINC001565799943 960819828 /nfs/dbraw/zinc/81/98/28/960819828.db2.gz RUPYNVNEMQAOJV-AWEZNQCLSA-N -1 1 286.331 3.138 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCCCCc2ccccc21 ZINC001565891687 960857356 /nfs/dbraw/zinc/85/73/56/960857356.db2.gz LJPLBUZENXMIMQ-UHFFFAOYSA-N -1 1 282.343 3.160 20 0 CGADMM C[C@H]1CN(C(=O)c2cccc([O-])c2F)[C@@H]1c1ccccc1 ZINC001566098817 960880580 /nfs/dbraw/zinc/88/05/80/960880580.db2.gz AZBIFAGBEYHUTH-ZBEGNZNMSA-N -1 1 285.318 3.365 20 0 CGADMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cc(F)ccc1[O-] ZINC001566146796 960887660 /nfs/dbraw/zinc/88/76/60/960887660.db2.gz FSZBSHVLQREYGP-TZMCWYRMSA-N -1 1 277.339 3.230 20 0 CGADMM C[C@@H]1CN(C(=O)c2cccc([O-])c2F)[C@H]2CCCC[C@@H]12 ZINC001566798352 961017628 /nfs/dbraw/zinc/01/76/28/961017628.db2.gz GKFBZCPQMYOMEU-MDZLAQPJSA-N -1 1 277.339 3.182 20 0 CGADMM CC1CCC(C)(CNC(=O)c2cc(F)ccc2[O-])CC1 ZINC001568601366 961613597 /nfs/dbraw/zinc/61/35/97/961613597.db2.gz DJATXDQTJWXSFU-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1nccc2ccccc21 ZINC001569032664 961670081 /nfs/dbraw/zinc/67/00/81/961670081.db2.gz FOGRMDYCBVIDCJ-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM CCn1ccc(C(=O)Nc2cc([O-])c(F)cc2F)c1C ZINC001570103468 961903785 /nfs/dbraw/zinc/90/37/85/961903785.db2.gz VAMWEWIPWTUSSK-UHFFFAOYSA-N -1 1 280.274 3.053 20 0 CGADMM Cc1nc(S[C@H](C(=O)[O-])C2CC2)[nH]c1-c1ccccc1 ZINC001574298816 962297845 /nfs/dbraw/zinc/29/78/45/962297845.db2.gz ONJHRMHIUFRYFT-ZDUSSCGKSA-N -1 1 288.372 3.340 20 0 CGADMM CCC[C@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001577327201 962527862 /nfs/dbraw/zinc/52/78/62/962527862.db2.gz ZMWKJMDBCDONLK-LBPRGKRZSA-N -1 1 286.383 3.033 20 0 CGADMM CCC[C@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001577327201 962527869 /nfs/dbraw/zinc/52/78/69/962527869.db2.gz ZMWKJMDBCDONLK-LBPRGKRZSA-N -1 1 286.383 3.033 20 0 CGADMM CC(C)c1nnc([N-]C(=O)c2onc3ccccc32)s1 ZINC001583037775 962767066 /nfs/dbraw/zinc/76/70/66/962767066.db2.gz WAAMCEWBJVPHNN-UHFFFAOYSA-N -1 1 288.332 3.055 20 0 CGADMM CC[C@@]1(C)CCCN(C(=O)c2cc(C)cc(C=O)c2[O-])C1 ZINC001586828105 963143013 /nfs/dbraw/zinc/14/30/13/963143013.db2.gz NANXDTBMFFIOCO-KRWDZBQOSA-N -1 1 289.375 3.165 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1ccsc1C ZINC001587204855 963177385 /nfs/dbraw/zinc/17/73/85/963177385.db2.gz BBKKRMSVQWMAKX-UHFFFAOYSA-N -1 1 263.318 3.023 20 0 CGADMM O=C(Cc1nc(C2CC2)cs1)Nc1cccc(F)c1[O-] ZINC001587393482 963192032 /nfs/dbraw/zinc/19/20/32/963192032.db2.gz HYZLQGAXLGDGHF-UHFFFAOYSA-N -1 1 292.335 3.046 20 0 CGADMM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1ccc(F)c([O-])c1 ZINC001587463772 963198090 /nfs/dbraw/zinc/19/80/90/963198090.db2.gz XGXHKGQXRKRZSA-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM C[C@@H](CC(C)(C)CC(=O)[O-])N[C@@H]1CCCC1(F)F ZINC001592446803 978128173 /nfs/dbraw/zinc/12/81/73/978128173.db2.gz RLKYYGDEKUFULK-VHSXEESVSA-N -1 1 263.328 3.043 20 0 CGADMM CC[C@@H]1CCCCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001595452887 981116469 /nfs/dbraw/zinc/11/64/69/981116469.db2.gz HBTJLWYESZVNEM-GFCCVEGCSA-N -1 1 287.363 3.026 20 0 CGADMM CC[C@H]1CCCN([C@@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001595458722 981133086 /nfs/dbraw/zinc/13/30/86/981133086.db2.gz LDRLVYGVKSVTNS-QWRGUYRKSA-N -1 1 282.409 3.414 20 0 CGADMM CCC[C@@H](CC)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001595585763 981526039 /nfs/dbraw/zinc/52/60/39/981526039.db2.gz BYAVRWLZAILGDA-SECBINFHSA-N -1 1 289.335 3.026 20 0 CGADMM C/C=C\C[C@@H]1CCCN(Cc2ncc(C(=O)[O-])s2)C1 ZINC001594685822 987058006 /nfs/dbraw/zinc/05/80/06/987058006.db2.gz GVOZGDXHYSYBFX-OTDNITJGSA-N -1 1 280.393 3.020 20 0 CGADMM CCc1onc(C)c1CN[C@H](C)c1cc(C(=O)[O-])cs1 ZINC001597813468 989432409 /nfs/dbraw/zinc/43/24/09/989432409.db2.gz AQHZUKVRBSTBPI-SECBINFHSA-N -1 1 294.376 3.156 20 0 CGADMM CC(C)[C@@H]1CCCN([C@H](C)c2nc(C(=O)[O-])co2)CC1 ZINC001591087416 991607133 /nfs/dbraw/zinc/60/71/33/991607133.db2.gz KQHCAQDQVCDJGN-VXGBXAGGSA-N -1 1 280.368 3.192 20 0 CGADMM CN(Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1 ZINC001598529869 992766515 /nfs/dbraw/zinc/76/65/15/992766515.db2.gz QXBJTSXRBKOEPT-MDZDMXLPSA-N -1 1 271.316 3.009 20 0 CGADMM CN(Cc1nc(Cl)ccc1Cl)C(C)(C)CC(=O)[O-] ZINC001598537096 992852206 /nfs/dbraw/zinc/85/22/06/992852206.db2.gz MQXJQOMQJGQWQK-UHFFFAOYSA-N -1 1 291.178 3.074 20 0 CGADMM C[C@H](NCc1ccc(Cl)cn1)c1cc(C(=O)[O-])cs1 ZINC001593298600 994716342 /nfs/dbraw/zinc/71/63/42/994716342.db2.gz MEADZPAAILCCLJ-QMMMGPOBSA-N -1 1 296.779 3.346 20 0 CGADMM C[C@H](N[C@@H]1C[C@H]1CC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001593354724 994996559 /nfs/dbraw/zinc/99/65/59/994996559.db2.gz XOPPRTLULMHVIW-LPEHRKFASA-N -1 1 282.409 3.317 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@H](C)C(C)(C)C1 ZINC001593732179 996309426 /nfs/dbraw/zinc/30/94/26/996309426.db2.gz PIRVYWMLYDROPK-VHSXEESVSA-N -1 1 282.409 3.270 20 0 CGADMM COCc1csc(CN[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001599299741 997209398 /nfs/dbraw/zinc/20/93/98/997209398.db2.gz GBIFRJBSVOXWKA-VIFPVBQESA-N -1 1 295.360 3.037 20 0 CGADMM CC1(C)c2ccccc2CCN1Cc1ccc(C(=O)[O-])[nH]1 ZINC001593987799 997234518 /nfs/dbraw/zinc/23/45/18/997234518.db2.gz BZXWGGJMFQUVNA-UHFFFAOYSA-N -1 1 284.359 3.006 20 0 CGADMM CO[C@@H](CN[C@@H](C(=O)[O-])c1ccsc1)C1CCCCC1 ZINC001599053740 999206873 /nfs/dbraw/zinc/20/68/73/999206873.db2.gz MRNXLIWHLDYAKH-UONOGXRCSA-N -1 1 297.420 3.059 20 0 CGADMM C[C@H](N[C@@H](C)[C@H]1CCC[C@@H](C)C1)c1nc(C(=O)[O-])co1 ZINC001594356752 999348497 /nfs/dbraw/zinc/34/84/97/999348497.db2.gz ZJALSZOKGSPVFK-RHYQMDGZSA-N -1 1 280.368 3.238 20 0 CGADMM CCCc1ccc(CNCc2cc(C(=O)[O-])co2)s1 ZINC000621247321 349480580 /nfs/dbraw/zinc/48/05/80/349480580.db2.gz OSSXNZAYVUTBMI-UHFFFAOYSA-N -1 1 279.361 3.282 20 0 CGADMM [O-]c1c(-c2nc(C3CCOCC3)no2)ccc2ccccc21 ZINC000124914451 187161012 /nfs/dbraw/zinc/16/10/12/187161012.db2.gz POVNSUFPDROMSH-UHFFFAOYSA-N -1 1 296.326 3.489 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@@H]1C1CCCC1 ZINC000651586309 398256364 /nfs/dbraw/zinc/25/63/64/398256364.db2.gz XIZLPGFEWYVBMY-MNOVXSKESA-N -1 1 263.312 3.296 20 0 CGADMM CCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426781159 529656538 /nfs/dbraw/zinc/65/65/38/529656538.db2.gz YWHOUUPVTSCQCZ-INIZCTEOSA-N -1 1 287.334 3.304 20 0 CGADMM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(C)(C)C ZINC000591820047 346939104 /nfs/dbraw/zinc/93/91/04/346939104.db2.gz MAVHCQNFNFJSPE-LBPRGKRZSA-N -1 1 291.363 3.068 20 0 CGADMM CN(Cc1cccc([O-])c1Cl)[C@@H](CO)c1ccccc1 ZINC000295049994 199318948 /nfs/dbraw/zinc/31/89/48/199318948.db2.gz NJQMCGUVTGFFNF-AWEZNQCLSA-N -1 1 291.778 3.211 20 0 CGADMM Cc1noc(C)c1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000060063974 345210990 /nfs/dbraw/zinc/21/09/90/345210990.db2.gz SIVAQUSOUBZJMN-UHFFFAOYSA-N -1 1 296.326 3.080 20 0 CGADMM O=C(Nc1ccc(F)cc1OC(F)F)c1ccccc1[O-] ZINC000172725077 232273520 /nfs/dbraw/zinc/27/35/20/232273520.db2.gz FCLJTZQFMLSSIO-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM CCc1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000107892426 345935944 /nfs/dbraw/zinc/93/59/44/345935944.db2.gz AIJZDLWPMJADGU-VIFPVBQESA-N -1 1 259.334 3.045 20 0 CGADMM Cc1ccnc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192264937 346267766 /nfs/dbraw/zinc/26/77/66/346267766.db2.gz AMHRWDGONPFWHS-UHFFFAOYSA-N -1 1 277.711 3.393 20 0 CGADMM C[C@]12CCN(Cc3ccc(C(=O)[O-])cc3F)C[C@H]1C2(F)F ZINC000584665861 346706477 /nfs/dbraw/zinc/70/64/77/346706477.db2.gz BPAAQJVHILCBCZ-OCCSQVGLSA-N -1 1 299.292 3.001 20 0 CGADMM [O-]c1cccc(CN[C@@H](CO)c2ccc(F)cc2)c1Cl ZINC000339263369 215049493 /nfs/dbraw/zinc/04/94/93/215049493.db2.gz HOUVLLQVFUEWAZ-ZDUSSCGKSA-N -1 1 295.741 3.008 20 0 CGADMM CCCCS[C@@H](C)C(=O)Nc1cccc(F)c1[O-] ZINC000600444515 347800209 /nfs/dbraw/zinc/80/02/09/347800209.db2.gz HMFNUIARBQCWNH-VIFPVBQESA-N -1 1 271.357 3.392 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1Cc2ccccc2S1 ZINC000605435376 348155402 /nfs/dbraw/zinc/15/54/02/348155402.db2.gz FOFVKBVEZVJHMU-CYBMUJFWSA-N -1 1 289.331 3.187 20 0 CGADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)c(C)c1 ZINC000605440323 348155648 /nfs/dbraw/zinc/15/56/48/348155648.db2.gz OBFXWFQWDJFRQB-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM COc1cc(CC(=O)Nc2c([O-])cccc2F)ccc1C ZINC000608367028 348301614 /nfs/dbraw/zinc/30/16/14/348301614.db2.gz RRBJMCOLMPOCKJ-UHFFFAOYSA-N -1 1 289.306 3.030 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccc(F)cc2F)c1=O ZINC000614185316 348656809 /nfs/dbraw/zinc/65/68/09/348656809.db2.gz OCBJDRFHEZZSMI-SNVBAGLBSA-N -1 1 252.264 3.104 20 0 CGADMM COc1cc(C(=O)N2[C@@H](C)CCC2(C)C)cc(Cl)c1[O-] ZINC000616177869 348793698 /nfs/dbraw/zinc/79/36/98/348793698.db2.gz OCBXEGAXGVSDNN-VIFPVBQESA-N -1 1 297.782 3.457 20 0 CGADMM CN(C(=O)c1ncccc1[O-])C1CC(C)(C)CC(C)(C)C1 ZINC000618071286 349046408 /nfs/dbraw/zinc/04/64/08/349046408.db2.gz SLMADZZQHDOFNW-UHFFFAOYSA-N -1 1 290.407 3.464 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@H](C)O1 ZINC000619122538 349209159 /nfs/dbraw/zinc/20/91/59/349209159.db2.gz RLQFTJKDTJWASP-OLZOCXBDSA-N -1 1 299.370 3.185 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])cccc1F)C1CCC(F)CC1 ZINC000619955837 349296920 /nfs/dbraw/zinc/29/69/20/349296920.db2.gz PSFQSLCWWDYKRW-KPPDAEKUSA-N -1 1 283.318 3.178 20 0 CGADMM CCO[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)C(C)C ZINC000624577113 350066515 /nfs/dbraw/zinc/06/65/15/350066515.db2.gz JQZWBVCTRFOTSV-LBPRGKRZSA-N -1 1 280.299 3.315 20 0 CGADMM CC(C)OCCCN(C)Cc1cc(O)ccc1Cl ZINC000625182244 350137122 /nfs/dbraw/zinc/13/71/22/350137122.db2.gz DGEQSKXJPGHQSI-UHFFFAOYSA-N -1 1 271.788 3.293 20 0 CGADMM CCOCCC1(C(=O)Nc2cccc(F)c2[O-])CCCC1 ZINC000628960790 350626365 /nfs/dbraw/zinc/62/63/65/350626365.db2.gz WHTLEKPQVYZUMS-UHFFFAOYSA-N -1 1 295.354 3.457 20 0 CGADMM CC1(C)CC[C@@H](C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000629378174 350683982 /nfs/dbraw/zinc/68/39/82/350683982.db2.gz PHLNHLPWOABEJQ-GFCCVEGCSA-N -1 1 299.374 3.343 20 0 CGADMM CC1=C(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCC1 ZINC000629377788 350684266 /nfs/dbraw/zinc/68/42/66/350684266.db2.gz ZGGKLTINNYOJBS-UHFFFAOYSA-N -1 1 283.331 3.017 20 0 CGADMM CC1(C)CC(CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000629380072 350685162 /nfs/dbraw/zinc/68/51/62/350685162.db2.gz IWDUCMLUYDDZHI-UHFFFAOYSA-N -1 1 299.374 3.343 20 0 CGADMM CC(C)CCCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380376 350685634 /nfs/dbraw/zinc/68/56/34/350685634.db2.gz NNMIYQGFDHHXFP-UHFFFAOYSA-N -1 1 287.363 3.343 20 0 CGADMM CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380764 350685921 /nfs/dbraw/zinc/68/59/21/350685921.db2.gz XEUQATBLHLGHEQ-WFASDCNBSA-N -1 1 299.374 3.343 20 0 CGADMM CC(C)CN(C(=O)Cc1ccc([O-])c(Cl)c1)C(C)C ZINC000630872303 350902505 /nfs/dbraw/zinc/90/25/05/350902505.db2.gz BBHFHXKBPZUAOE-UHFFFAOYSA-N -1 1 283.799 3.481 20 0 CGADMM Cc1nc(S[C@@H](C)C2CCOCC2)[n-]c(=O)c1C1CC1 ZINC000631023812 350927429 /nfs/dbraw/zinc/92/74/29/350927429.db2.gz YBYVJMNHPADJKA-JTQLQIEISA-N -1 1 294.420 3.275 20 0 CGADMM COC1(CSc2nc(C)c(C3CC3)c(=O)[n-]2)CCC1 ZINC000631023523 350927903 /nfs/dbraw/zinc/92/79/03/350927903.db2.gz VBYLNRDJCBXAFE-UHFFFAOYSA-N -1 1 280.393 3.029 20 0 CGADMM CCc1cnc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)o1 ZINC000631024223 350927973 /nfs/dbraw/zinc/92/79/73/350927973.db2.gz PERCWDAULXSOHR-UHFFFAOYSA-N -1 1 291.376 3.211 20 0 CGADMM CCC1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000630786953 350887605 /nfs/dbraw/zinc/88/76/05/350887605.db2.gz GWCHMPFNWPNJEI-UHFFFAOYSA-N -1 1 281.783 3.237 20 0 CGADMM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C1CCCC1 ZINC000631966934 351155762 /nfs/dbraw/zinc/15/57/62/351155762.db2.gz ZFIIEUMQHIERSM-MRVPVSSYSA-N -1 1 293.335 3.074 20 0 CGADMM CC[C@H](C)Cc1noc(-c2cc(F)ccc2[O-])n1 ZINC000632248505 351185488 /nfs/dbraw/zinc/18/54/88/351185488.db2.gz SFALBQXTORIGFA-QMMMGPOBSA-N -1 1 250.273 3.170 20 0 CGADMM CC(C)[C@]1(C)C[C@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633412051 351298484 /nfs/dbraw/zinc/29/84/84/351298484.db2.gz GESUULGOWXDEAQ-HIFRSBDPSA-N -1 1 281.783 3.139 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(OC(F)(F)F)cc3)c(=O)c21 ZINC000634587140 351525030 /nfs/dbraw/zinc/52/50/30/351525030.db2.gz FYXZZVLGKRXPQM-UFBFGSQYSA-N -1 1 298.264 3.334 20 0 CGADMM Cc1[n-]n(-c2cccc(Br)c2)c(=O)c1C1CC1 ZINC000634585811 351525562 /nfs/dbraw/zinc/52/55/62/351525562.db2.gz SNWGGHISUFJRBZ-GFCCVEGCSA-N -1 1 293.164 3.198 20 0 CGADMM O=c1c2c([n-]n1Cc1ccc(C(F)(F)F)cc1)CCC2 ZINC000634591176 351527981 /nfs/dbraw/zinc/52/79/81/351527981.db2.gz VQINDUFAYDTOTE-NSHDSACASA-N -1 1 282.265 3.204 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(C(F)(F)F)cc3)c(=O)c21 ZINC000634595577 351531855 /nfs/dbraw/zinc/53/18/55/351531855.db2.gz GNPGYODITKUBGK-QPUJVOFHSA-N -1 1 282.265 3.454 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(F)c(Cl)c2)c1=O ZINC000634597001 351533777 /nfs/dbraw/zinc/53/37/77/351533777.db2.gz YOBNPMKTSMWKJY-VIFPVBQESA-N -1 1 254.692 3.228 20 0 CGADMM C[C@@H](c1ccc(Cl)cc1)n1[n-]c2c(c1=O)CCC2 ZINC000634601417 351536536 /nfs/dbraw/zinc/53/65/36/351536536.db2.gz MCKDXZJTPKOUOY-JOYOIKCWSA-N -1 1 262.740 3.399 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccc(OC(F)F)cc2)c1=O ZINC000634602019 351536646 /nfs/dbraw/zinc/53/66/46/351536646.db2.gz DEGFFPUBRUZZKW-GFCCVEGCSA-N -1 1 282.290 3.427 20 0 CGADMM CCCc1c(C)[n-]n(CCCOc2ccccc2)c1=O ZINC000634602810 351537643 /nfs/dbraw/zinc/53/76/43/351537643.db2.gz FJPUJCUICUZXGE-HNNXBMFYSA-N -1 1 274.364 3.090 20 0 CGADMM CCc1c(=O)n(CC(F)(F)C(F)(F)F)[n-]c1C(C)C ZINC000634604448 351538855 /nfs/dbraw/zinc/53/88/55/351538855.db2.gz HMABMBZQJBVHSV-SSDOTTSWSA-N -1 1 286.244 3.064 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3ccc(Cl)cc3)c(=O)c2C1 ZINC000634606885 351539697 /nfs/dbraw/zinc/53/96/97/351539697.db2.gz FRLVTHYDQRPNAG-GXFFZTMASA-N -1 1 276.767 3.474 20 0 CGADMM CCc1c(=O)n(Cc2ccccc2F)[n-]c1C(C)C ZINC000634608365 351540138 /nfs/dbraw/zinc/54/01/38/351540138.db2.gz ZXJLUTWEAHGAMN-LBPRGKRZSA-N -1 1 262.328 3.206 20 0 CGADMM CCc1c(C(C)C)[n-]n(CCc2ccc(OC)cc2)c1=O ZINC000634612807 351542589 /nfs/dbraw/zinc/54/25/89/351542589.db2.gz IWLKVTBJRLGWAV-OAHLLOKOSA-N -1 1 288.391 3.118 20 0 CGADMM COc1ccc(-n2[n-]c(C)c(C3CC3)c2=O)cc1Cl ZINC000634614798 351543495 /nfs/dbraw/zinc/54/34/95/351543495.db2.gz OFWVYXAPROGXIP-ZDUSSCGKSA-N -1 1 278.739 3.097 20 0 CGADMM CCc1c(C)[n-]n(-c2ccccc2OC(F)(F)F)c1=O ZINC000634614340 351543776 /nfs/dbraw/zinc/54/37/76/351543776.db2.gz AECKZHLMRULNML-SECBINFHSA-N -1 1 286.253 3.334 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3cnc4ccccc4c3)c(=O)c2C1 ZINC000634618477 351545868 /nfs/dbraw/zinc/54/58/68/351545868.db2.gz SJRIMPINKLGPEJ-SWLSCSKDSA-N -1 1 293.370 3.369 20 0 CGADMM CCc1c(C(C)C)[n-]n([C@H](C)c2ccncc2)c1=O ZINC000634627297 351550562 /nfs/dbraw/zinc/55/05/62/351550562.db2.gz ZNFXAHCMUJHWMQ-DGCLKSJQSA-N -1 1 259.353 3.023 20 0 CGADMM CC1(C)CN(C(=O)c2ncccc2[O-])[C@H]1c1cccs1 ZINC000291777027 198088757 /nfs/dbraw/zinc/08/87/57/198088757.db2.gz ULOBTJNKPUGXHL-ZDUSSCGKSA-N -1 1 288.372 3.072 20 0 CGADMM Cc1ccc([C@@H]2CCCN2C(=O)c2ncccc2[O-])cc1 ZINC000366648957 234180898 /nfs/dbraw/zinc/18/08/98/234180898.db2.gz ZIDNPUMMPOXLQI-AWEZNQCLSA-N -1 1 282.343 3.073 20 0 CGADMM CCSCC[C@H](C)N(C)C(=O)c1ccc([O-])cc1F ZINC000154949709 188171695 /nfs/dbraw/zinc/17/16/95/188171695.db2.gz RPYAYZGZMFEXCB-JTQLQIEISA-N -1 1 285.384 3.135 20 0 CGADMM CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)c1cccnc1 ZINC000336341796 213189757 /nfs/dbraw/zinc/18/97/57/213189757.db2.gz IAKSQVPRLCVFEB-UHFFFAOYSA-N -1 1 290.750 3.357 20 0 CGADMM CCC(C)(C)C[N-]S(=O)(=O)c1sccc1Cl ZINC000451458807 535354222 /nfs/dbraw/zinc/35/42/22/535354222.db2.gz GCVPOOLSBODHLL-UHFFFAOYSA-N -1 1 281.830 3.116 20 0 CGADMM COC[C@@H](C)[C@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436654654 237153572 /nfs/dbraw/zinc/15/35/72/237153572.db2.gz DITKOCIHLCLXNK-BDAKNGLRSA-N -1 1 296.754 3.482 20 0 CGADMM O=C(Nc1ccc(-c2cncnc2)cc1)c1ccccc1[O-] ZINC000436537218 237125089 /nfs/dbraw/zinc/12/50/89/237125089.db2.gz NVFWBCREIVYVHY-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM Cc1ccc(CC[C@@H](C)NC(=O)c2cc(F)ccc2[O-])o1 ZINC000436580548 237135801 /nfs/dbraw/zinc/13/58/01/237135801.db2.gz BVDKWFBTMUYIHL-SNVBAGLBSA-N -1 1 291.322 3.184 20 0 CGADMM CN(C(=O)c1cc2ccccc2cc1[O-])[C@@H]1CC1(C)C ZINC000436727671 237171170 /nfs/dbraw/zinc/17/11/70/237171170.db2.gz BIZLSOMROGNFJM-OAHLLOKOSA-N -1 1 269.344 3.416 20 0 CGADMM O=C(N[C@@H]1CCC[C@@H]1F)c1ccc2ccccc2c1[O-] ZINC000436775777 237177534 /nfs/dbraw/zinc/17/75/34/237177534.db2.gz RKJIOTLFBQDQSO-UONOGXRCSA-N -1 1 273.307 3.166 20 0 CGADMM CO[C@@H](c1nc(-c2ccc([O-])cc2Cl)no1)C(C)C ZINC000436869058 237198014 /nfs/dbraw/zinc/19/80/14/237198014.db2.gz CNMJSHBXJNLXBB-LLVKDONJSA-N -1 1 282.727 3.439 20 0 CGADMM Cn1ccc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000436878159 237200296 /nfs/dbraw/zinc/20/02/96/237200296.db2.gz ISTAWRIGPSGOJM-DJWKRKHSSA-N -1 1 285.278 3.090 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C(F)F)c1c([O-])cccc1F ZINC000436888450 237203915 /nfs/dbraw/zinc/20/39/15/237203915.db2.gz SDTVTLKDJSEASR-ZDUSSCGKSA-N -1 1 295.260 3.268 20 0 CGADMM O=c1cc(C=Cc2cc(F)c([O-])c(F)c2)nc(C2CC2)[nH]1 ZINC000436934944 237216246 /nfs/dbraw/zinc/21/62/46/237216246.db2.gz UUYYMVDQSCNUPA-RJRFIUFISA-N -1 1 290.269 3.214 20 0 CGADMM COc1cc(C(=O)Nc2nc(C)cs2)cc(Cl)c1[O-] ZINC000341594426 216026388 /nfs/dbraw/zinc/02/63/88/216026388.db2.gz FZKOHGQBOYRIDX-UHFFFAOYSA-N -1 1 298.751 3.071 20 0 CGADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000177091975 189028081 /nfs/dbraw/zinc/02/80/81/189028081.db2.gz CXGNXQYDZUTQQP-DTWKUNHWSA-N -1 1 298.180 3.025 20 0 CGADMM Cc1nc(-c2ccc(N3CC[C@H](C)[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000301505588 201035675 /nfs/dbraw/zinc/03/56/75/201035675.db2.gz ZPNZJRFGLUYPSR-GWCFXTLKSA-N -1 1 298.390 3.096 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C(C1CC1)C1CC1 ZINC000182862597 189337194 /nfs/dbraw/zinc/33/71/94/189337194.db2.gz KPBQQABOWMLMTM-UHFFFAOYSA-N -1 1 265.740 3.420 20 0 CGADMM CCc1nsc([N-]c2cnn(CCC(C)C)c2C)n1 ZINC000301980303 201284522 /nfs/dbraw/zinc/28/45/22/201284522.db2.gz PMTZDOWKDOKVBD-UHFFFAOYSA-N -1 1 279.413 3.395 20 0 CGADMM CO[C@@H](C)c1nc(=N[C@H](C)CCC=C(C)C)s[n-]1 ZINC000450681212 240032354 /nfs/dbraw/zinc/03/23/54/240032354.db2.gz ZXGJTJJZCFAJHH-MNOVXSKESA-N -1 1 269.414 3.214 20 0 CGADMM Cc1nc(SC[C@H]2CCC(F)(F)C2)[n-]c(=O)c1C ZINC000450903903 240145219 /nfs/dbraw/zinc/14/52/19/240145219.db2.gz MNFYGFUCYXADGE-VIFPVBQESA-N -1 1 274.336 3.327 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456288017 241391864 /nfs/dbraw/zinc/39/18/64/241391864.db2.gz TXFPVNLSQQYFHD-HIFRSBDPSA-N -1 1 291.778 3.306 20 0 CGADMM CCC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C1CCCC1 ZINC000458342239 241887133 /nfs/dbraw/zinc/88/71/33/241887133.db2.gz OMNDABZKRMRTCC-OAHLLOKOSA-N -1 1 289.375 3.050 20 0 CGADMM CC[C@@H](C)N(CC)C(=O)c1ccc(Cl)cc1[O-] ZINC000037113695 369063215 /nfs/dbraw/zinc/06/32/15/369063215.db2.gz MARFBVUHJKUIIN-SECBINFHSA-N -1 1 255.745 3.306 20 0 CGADMM CN(Cc1ccc(O)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000037999520 369137353 /nfs/dbraw/zinc/13/73/53/369137353.db2.gz PNVBLMXDVWGWRG-UHFFFAOYSA-N -1 1 291.734 3.023 20 0 CGADMM Cn1ccc(/C=C\C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000493148655 244107278 /nfs/dbraw/zinc/10/72/78/244107278.db2.gz HSLWLUGZGFETAW-DJWKRKHSSA-N -1 1 276.723 3.036 20 0 CGADMM Cc1cccc(CCNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000051671252 369451905 /nfs/dbraw/zinc/45/19/05/369451905.db2.gz QUZZJJZVNQENKT-UHFFFAOYSA-N -1 1 289.762 3.327 20 0 CGADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000075910740 369920648 /nfs/dbraw/zinc/92/06/48/369920648.db2.gz XNNHCYIHOBXWQE-JTQLQIEISA-N -1 1 259.280 3.022 20 0 CGADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000088707517 370036559 /nfs/dbraw/zinc/03/65/59/370036559.db2.gz IRNIOWSKOCPHQI-NXEZZACHSA-N -1 1 267.756 3.306 20 0 CGADMM COc1ccc(-c2nc(C3CCCC3)no2)c([O-])c1 ZINC000111686602 370404148 /nfs/dbraw/zinc/40/41/48/370404148.db2.gz DGUVYDVWRKLCNY-UHFFFAOYSA-N -1 1 260.293 3.108 20 0 CGADMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC000131738849 371127192 /nfs/dbraw/zinc/12/71/92/371127192.db2.gz WQQGGSCGBTVJII-KBPBESRZSA-N -1 1 296.370 3.114 20 0 CGADMM C[C@@H]1C[C@@H](c2nc(-c3ccc([O-])cc3F)no2)CCC1=O ZINC000331599183 204002731 /nfs/dbraw/zinc/00/27/31/204002731.db2.gz CMFLHCUWHJKNOR-BDAKNGLRSA-N -1 1 290.294 3.054 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000133296021 371242145 /nfs/dbraw/zinc/24/21/45/371242145.db2.gz MZIHNMNYVXJCHG-UHFFFAOYSA-N -1 1 297.314 3.453 20 0 CGADMM CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000133317043 371242916 /nfs/dbraw/zinc/24/29/16/371242916.db2.gz VMHGCKFLXRLUEA-RNCFNFMXSA-N -1 1 253.729 3.420 20 0 CGADMM CC1CC(NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000135559783 371434919 /nfs/dbraw/zinc/43/49/19/371434919.db2.gz WAEPHWVVVQKYRU-UHFFFAOYSA-N -1 1 255.317 3.074 20 0 CGADMM Cc1ccc(C(=O)C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000135904439 371453342 /nfs/dbraw/zinc/45/33/42/371453342.db2.gz ZQXKLFKNZDTKDE-UHFFFAOYSA-N -1 1 289.718 3.175 20 0 CGADMM CN(Cc1ccccc1Cl)C(=O)c1cc(F)ccc1[O-] ZINC000149001226 371526281 /nfs/dbraw/zinc/52/62/81/371526281.db2.gz GQENXJAJKWRUCF-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCS[C@@H]2CCCC[C@H]21 ZINC000092426633 296181575 /nfs/dbraw/zinc/18/15/75/296181575.db2.gz DVDXXIWOMAOVJE-TZMCWYRMSA-N -1 1 295.379 3.032 20 0 CGADMM CCCCCS(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000292932039 372252815 /nfs/dbraw/zinc/25/28/15/372252815.db2.gz HWSWUARXSLAUCL-GFCCVEGCSA-N -1 1 291.363 3.102 20 0 CGADMM c1ccc(-c2ccc(SCc3nn[n-]n3)cc2)cc1 ZINC000435234138 372742584 /nfs/dbraw/zinc/74/25/84/372742584.db2.gz DXUVJSSFGDEXAZ-UHFFFAOYSA-N -1 1 268.345 3.159 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(CF)CC1 ZINC000295488688 372800040 /nfs/dbraw/zinc/80/00/40/372800040.db2.gz AUCLNNAOXNPNLN-UHFFFAOYSA-N -1 1 287.334 3.367 20 0 CGADMM CCCC1(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000443057390 373146399 /nfs/dbraw/zinc/14/63/99/373146399.db2.gz JQULTVXPULLMGQ-UHFFFAOYSA-N -1 1 297.782 3.364 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2F)[C@H]1C ZINC000300241874 373621472 /nfs/dbraw/zinc/62/14/72/373621472.db2.gz ZVWOALXUFFJZDJ-JFGNBEQYSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1nc(-c2ccc(N3CC[C@@H](C)[C@H]3C)nc2)[n-]c(=O)c1C ZINC000301505726 373781524 /nfs/dbraw/zinc/78/15/24/373781524.db2.gz ZPNZJRFGLUYPSR-ZWNOBZJWSA-N -1 1 298.390 3.096 20 0 CGADMM CC(C)CC(C)(C)CNC(=O)c1c(F)ccc([O-])c1F ZINC000289524112 197388735 /nfs/dbraw/zinc/38/87/35/197388735.db2.gz HGWSJOFYPDYNOK-UHFFFAOYSA-N -1 1 285.334 3.473 20 0 CGADMM O=C(NCCc1cc2ccccc2o1)c1ccc([O-])cc1F ZINC000181229709 374096968 /nfs/dbraw/zinc/09/69/68/374096968.db2.gz SJEQLUMILZLHNR-UHFFFAOYSA-N -1 1 299.301 3.250 20 0 CGADMM O=C(Nc1cccnc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000182004055 374202798 /nfs/dbraw/zinc/20/27/98/374202798.db2.gz RXNFFERHQNKHOH-UHFFFAOYSA-N -1 1 282.221 3.058 20 0 CGADMM Cc1cccc(C)c1NC(=O)c1ccc([O-])cc1F ZINC000182008247 374202915 /nfs/dbraw/zinc/20/29/15/374202915.db2.gz IGOLYTHEOLITEF-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM C[C@@H]1CC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000311623435 374250167 /nfs/dbraw/zinc/25/01/67/374250167.db2.gz MPNFWBHTHPXQMN-QMTHXVAHSA-N -1 1 255.317 3.074 20 0 CGADMM Cc1cnc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c([O-])c1 ZINC000331203881 374512355 /nfs/dbraw/zinc/51/23/55/374512355.db2.gz OABDTSQCPZVPPW-UKRRQHHQSA-N -1 1 296.370 3.114 20 0 CGADMM CCc1c(NC(=O)c2ccccc2[O-])cnn1CC(C)C ZINC000091694968 541970143 /nfs/dbraw/zinc/97/01/43/541970143.db2.gz WNHXSDLODYXVPZ-UHFFFAOYSA-N -1 1 287.363 3.059 20 0 CGADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H]1CCCOC1 ZINC000332508703 374579859 /nfs/dbraw/zinc/57/98/59/374579859.db2.gz UDMXSAOWMXEVIQ-WFASDCNBSA-N -1 1 299.370 3.090 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)C2CCCCCC2)c1 ZINC000332300841 374565619 /nfs/dbraw/zinc/56/56/19/374565619.db2.gz IYKHPEGOIAAEKR-UHFFFAOYSA-N -1 1 291.347 3.088 20 0 CGADMM Cc1c(F)cccc1NC(=O)c1c(F)ccc([O-])c1F ZINC000334200584 206181361 /nfs/dbraw/zinc/18/13/61/206181361.db2.gz QMEPEQNYOYPVMR-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C1(C(F)(F)F)CCC1 ZINC000456762090 374617488 /nfs/dbraw/zinc/61/74/88/374617488.db2.gz AEFKVEFNBUXEDQ-UHFFFAOYSA-N -1 1 295.207 3.342 20 0 CGADMM CC(C)[C@H](C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456795041 374627438 /nfs/dbraw/zinc/62/74/38/374627438.db2.gz RIHQWKDGYNCQDM-MRVPVSSYSA-N -1 1 257.280 3.291 20 0 CGADMM O=C(NC1(Cc2ccccc2)CC1)c1ccc([O-])cc1F ZINC000186279560 374827052 /nfs/dbraw/zinc/82/70/52/374827052.db2.gz FCFXKIXQZULYIR-UHFFFAOYSA-N -1 1 285.318 3.036 20 0 CGADMM C[C@@H]1CCCN(Cc2cc3cc(F)ccc3o2)[C@H]1C(=O)[O-] ZINC000334575932 374876112 /nfs/dbraw/zinc/87/61/12/374876112.db2.gz CEUXJPHYTSXVIV-MEBBXXQBSA-N -1 1 291.322 3.257 20 0 CGADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1c(F)cccc1Cl ZINC000334603890 374898330 /nfs/dbraw/zinc/89/83/30/374898330.db2.gz RDIMMZXCPMORSG-UWVGGRQHSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1c(F)cccc1Cl ZINC000334603892 374899175 /nfs/dbraw/zinc/89/91/75/374899175.db2.gz RDIMMZXCPMORSG-ZJUUUORDSA-N -1 1 285.746 3.164 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCSC2(CCC2)CC1 ZINC000334795402 375033485 /nfs/dbraw/zinc/03/34/85/375033485.db2.gz YFPLTOZVBHPHTL-UHFFFAOYSA-N -1 1 295.379 3.033 20 0 CGADMM O=S(=O)([N-]c1ccccc1)c1ccc(C(F)F)cc1 ZINC000335989182 375597433 /nfs/dbraw/zinc/59/74/33/375597433.db2.gz RYJHKZXIJBKPAP-UHFFFAOYSA-N -1 1 283.299 3.425 20 0 CGADMM Cn1ccc2c1cccc2NC(=O)c1cc(F)ccc1[O-] ZINC000539888467 376345779 /nfs/dbraw/zinc/34/57/79/376345779.db2.gz LDCDVMNQXPEDKQ-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM O=C([O-])c1coc(CNCc2ccc(C(F)(F)F)cc2)c1 ZINC000228171862 376430209 /nfs/dbraw/zinc/43/02/09/376430209.db2.gz UWTOZUBYFJWDMJ-UHFFFAOYSA-N -1 1 299.248 3.286 20 0 CGADMM CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2sccc2F)C1 ZINC000338962906 376602844 /nfs/dbraw/zinc/60/28/44/376602844.db2.gz JBLWXTJSIBPCGZ-SECBINFHSA-N -1 1 291.413 3.134 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1cncc([O-])c1 ZINC000339811083 376855988 /nfs/dbraw/zinc/85/59/88/376855988.db2.gz ANRBXKCVCRJUAQ-KRWDZBQOSA-N -1 1 296.370 3.449 20 0 CGADMM O=C(N[C@H](c1ccccc1)C1CCCC1)c1cncc([O-])c1 ZINC000339811084 376857279 /nfs/dbraw/zinc/85/72/79/376857279.db2.gz ANRBXKCVCRJUAQ-QGZVFWFLSA-N -1 1 296.370 3.449 20 0 CGADMM CCC[C@@H]1CCCC[C@H]1N=c1nc([C@@H](C)OC)[n-]s1 ZINC000558687457 377033353 /nfs/dbraw/zinc/03/33/53/377033353.db2.gz CHXLKGLYBUQVNH-IJLUTSLNSA-N -1 1 283.441 3.438 20 0 CGADMM CCCCS[C@@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000340329904 377004783 /nfs/dbraw/zinc/00/47/83/377004783.db2.gz HUKILMINRDRRFD-VIFPVBQESA-N -1 1 271.357 3.392 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cncc2ccccc21 ZINC000340331919 377006524 /nfs/dbraw/zinc/00/65/24/377006524.db2.gz FHZIFABJEOLOAZ-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM Cc1cc(F)cc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340332386 377010280 /nfs/dbraw/zinc/01/02/80/377010280.db2.gz SZXBSISQDJWLAK-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM O=C([O-])C[C@@H]1CCCCN1Cc1ccc(Cl)cc1F ZINC000162541747 542165249 /nfs/dbraw/zinc/16/52/49/542165249.db2.gz QQSJMRFEMQYEBM-LBPRGKRZSA-N -1 1 285.746 3.308 20 0 CGADMM CN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCc2ccccc21 ZINC000093913433 249039377 /nfs/dbraw/zinc/03/93/77/249039377.db2.gz POLSOIPDISPLRI-OAHLLOKOSA-N -1 1 285.318 3.291 20 0 CGADMM O=C(NCC[C@H]1CCCCO1)c1cc2ccccc2cc1[O-] ZINC000182831423 249055017 /nfs/dbraw/zinc/05/50/17/249055017.db2.gz ZLGMDSOAWIZDPZ-OAHLLOKOSA-N -1 1 299.370 3.234 20 0 CGADMM CCC[C@@H](C)S(=O)(=O)[N-]c1cccc2ccc(C)nc21 ZINC000573972276 377601040 /nfs/dbraw/zinc/60/10/40/377601040.db2.gz HXHWHHZVTYBXQX-GFCCVEGCSA-N -1 1 292.404 3.474 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000182908006 542225737 /nfs/dbraw/zinc/22/57/37/542225737.db2.gz UQBTUAMVCPCCGT-SFYZADRCSA-N -1 1 284.153 3.058 20 0 CGADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cccc(Cl)c2F)C1 ZINC000263369940 377929156 /nfs/dbraw/zinc/92/91/56/377929156.db2.gz VBSCVAWFNIIPET-KOLCDFICSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ncc(C(C)(C)C)s1 ZINC000263375154 377929399 /nfs/dbraw/zinc/92/93/99/377929399.db2.gz WLCCAEYVBHVZFF-WDEREUQCSA-N -1 1 296.436 3.126 20 0 CGADMM CCCCc1nc(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)cs1 ZINC000263381659 377930280 /nfs/dbraw/zinc/93/02/80/377930280.db2.gz XJJKLYKZUREXBF-RYUDHWBXSA-N -1 1 296.436 3.028 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccsc1 ZINC000232385652 572408308 /nfs/dbraw/zinc/40/83/08/572408308.db2.gz PMZOOERBWCBGQY-MRVPVSSYSA-N -1 1 265.309 3.084 20 0 CGADMM CC(C)Oc1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC000277059691 379056379 /nfs/dbraw/zinc/05/63/79/379056379.db2.gz UDYIMDIJKLVLRU-UHFFFAOYSA-N -1 1 289.331 3.055 20 0 CGADMM C[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C[C@H](C)C1 ZINC000349101248 379159803 /nfs/dbraw/zinc/15/98/03/379159803.db2.gz WTFJSLMFNLKEHY-VHSXEESVSA-N -1 1 283.318 3.179 20 0 CGADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1c(F)ccc([O-])c1F ZINC000335188033 296292695 /nfs/dbraw/zinc/29/26/95/296292695.db2.gz CEJHSWKMCURWNT-SECBINFHSA-N -1 1 281.302 3.075 20 0 CGADMM CO[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000373284946 379254433 /nfs/dbraw/zinc/25/44/33/379254433.db2.gz NGKLYCMSUBTOPR-CQSZACIVSA-N -1 1 299.370 3.187 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CC3(Cl)Cl)n2)cc1F ZINC000278306844 379340822 /nfs/dbraw/zinc/34/08/22/379340822.db2.gz XYKSAFSIVKEMLJ-LURJTMIESA-N -1 1 289.093 3.243 20 0 CGADMM [O-]c1ccc(-c2noc(C[C@@H]3C=CCC3)n2)cc1F ZINC000278188308 379312333 /nfs/dbraw/zinc/31/23/33/379312333.db2.gz OVOICUIKZUWXBR-SECBINFHSA-N -1 1 260.268 3.090 20 0 CGADMM Cc1cccc(NC(=O)c2csc(=NC3CC3)[n-]2)c1C ZINC000349819204 379399200 /nfs/dbraw/zinc/39/92/00/379399200.db2.gz HVCCRHIQFXIEGP-UHFFFAOYSA-N -1 1 287.388 3.008 20 0 CGADMM CC(C)([N-]C(=O)C(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000279387277 379424098 /nfs/dbraw/zinc/42/40/98/379424098.db2.gz ZFGZDKMJPLBRNL-UHFFFAOYSA-N -1 1 297.223 3.202 20 0 CGADMM CC[C@@H]1C[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCO1 ZINC000350826475 379592161 /nfs/dbraw/zinc/59/21/61/379592161.db2.gz XACRBNWRGUBPHK-GHMZBOCLSA-N -1 1 292.310 3.254 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C/C3CCOCC3)n2)c(F)c1 ZINC000350843194 379593665 /nfs/dbraw/zinc/59/36/65/379593665.db2.gz QNJOPSYJJKPUHT-DAFODLJHSA-N -1 1 290.294 3.021 20 0 CGADMM CC(C)n1cnc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000350612042 379573965 /nfs/dbraw/zinc/57/39/65/379573965.db2.gz PWJGKIPCPGXXBY-UHFFFAOYSA-N -1 1 288.282 3.026 20 0 CGADMM CC(C)[C@@H]1CCCN(Cc2nc(C(=O)[O-])cs2)CC1 ZINC000378665598 379855690 /nfs/dbraw/zinc/85/56/90/379855690.db2.gz JIJQLDYBICLHAG-LLVKDONJSA-N -1 1 282.409 3.099 20 0 CGADMM COC(C)(C)CN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000404386787 379981236 /nfs/dbraw/zinc/98/12/36/379981236.db2.gz UUZOBJSCBMBIOV-UHFFFAOYSA-N -1 1 287.359 3.042 20 0 CGADMM O=C(CCCC1CCOCC1)Nc1ccc(F)cc1[O-] ZINC000282952625 380016915 /nfs/dbraw/zinc/01/69/15/380016915.db2.gz ZJGBBDPGTPFQSU-UHFFFAOYSA-N -1 1 281.327 3.067 20 0 CGADMM CCCCN(C(=O)c1cncc([O-])c1)C1CCCCC1 ZINC000283305160 380053208 /nfs/dbraw/zinc/05/32/08/380053208.db2.gz GSQDWCFKSBGNDK-UHFFFAOYSA-N -1 1 276.380 3.362 20 0 CGADMM Cc1nc(C)c([N-]S(=O)(=O)CCC2CCCC2)s1 ZINC000641684559 380046175 /nfs/dbraw/zinc/04/61/75/380046175.db2.gz OABRXFRFUVGNSL-UHFFFAOYSA-N -1 1 288.438 3.082 20 0 CGADMM O=C(NCc1ccc(Cl)o1)c1cc(Cl)ccc1[O-] ZINC000644517298 380439098 /nfs/dbraw/zinc/43/90/98/380439098.db2.gz QWLHYFUZWPWRBM-UHFFFAOYSA-N -1 1 286.114 3.222 20 0 CGADMM CCC[C@H](C)C(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000354732049 380542463 /nfs/dbraw/zinc/54/24/63/380542463.db2.gz POIHBUGRQPPZDV-VIFPVBQESA-N -1 1 277.393 3.243 20 0 CGADMM Cc1csc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC000417563023 380638218 /nfs/dbraw/zinc/63/82/18/380638218.db2.gz MXIMNYKLJPFVBX-FZMZJTMJSA-N -1 1 290.388 3.003 20 0 CGADMM COc1cc(C(=O)NCCC=C(C)C)cc(Cl)c1[O-] ZINC000360219714 381485077 /nfs/dbraw/zinc/48/50/77/381485077.db2.gz LWZMRNHTYDSSFK-UHFFFAOYSA-N -1 1 283.755 3.140 20 0 CGADMM COc1ccccc1[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000436942928 533005689 /nfs/dbraw/zinc/00/56/89/533005689.db2.gz CXQYHIICPRSSLX-JTQLQIEISA-N -1 1 289.306 3.031 20 0 CGADMM COC[C@H](C)[C@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436654656 533008844 /nfs/dbraw/zinc/00/88/44/533008844.db2.gz DITKOCIHLCLXNK-IUCAKERBSA-N -1 1 296.754 3.482 20 0 CGADMM COc1ccncc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436541541 533090468 /nfs/dbraw/zinc/09/04/68/533090468.db2.gz YEQKFFQPNOHABK-UHFFFAOYSA-N -1 1 286.331 3.172 20 0 CGADMM Cc1cnc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000343633529 542501683 /nfs/dbraw/zinc/50/16/83/542501683.db2.gz TZMAEVVRKLKFDD-DZGCQCFKSA-N -1 1 296.370 3.319 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2cccn2C)ccc1C1CC1 ZINC000414378674 542637231 /nfs/dbraw/zinc/63/72/31/542637231.db2.gz DYAXTZHXBKFNQS-UHFFFAOYSA-N -1 1 290.388 3.012 20 0 CGADMM O=C([O-])C[C@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000054298783 392091162 /nfs/dbraw/zinc/09/11/62/392091162.db2.gz VFQSNIPLVACFLV-SNVBAGLBSA-N -1 1 285.746 3.166 20 0 CGADMM CCOC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCC1 ZINC000285851999 392340422 /nfs/dbraw/zinc/34/04/22/392340422.db2.gz ULCPXQFOTQLJJU-UHFFFAOYSA-N -1 1 283.755 3.333 20 0 CGADMM O=C([N-]CCCCOc1ccc(Cl)cc1)C(F)(F)F ZINC000263664164 131304453 /nfs/dbraw/zinc/30/44/53/131304453.db2.gz JGNHFLANVFSBNX-UHFFFAOYSA-N -1 1 295.688 3.178 20 0 CGADMM O=c1cc(C(F)F)nc(SCCCCCF)[n-]1 ZINC000289582772 392427163 /nfs/dbraw/zinc/42/71/63/392427163.db2.gz RKMNURGRAWMCHB-UHFFFAOYSA-N -1 1 266.288 3.352 20 0 CGADMM COc1cc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000153549559 392520667 /nfs/dbraw/zinc/52/06/67/392520667.db2.gz AODUZWLQRDPYFH-GXSJLCMTSA-N -1 1 297.782 3.363 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ccc([O-])c(F)c1 ZINC000647320485 392665037 /nfs/dbraw/zinc/66/50/37/392665037.db2.gz FSFURXROBLUUPC-KBPBESRZSA-N -1 1 285.318 3.065 20 0 CGADMM CC[C@H](CC(=O)Nc1cc(C(=O)OC)ccc1[O-])C(C)C ZINC000505738196 392691860 /nfs/dbraw/zinc/69/18/60/392691860.db2.gz NVDHXNMBSNYUBT-LLVKDONJSA-N -1 1 293.363 3.190 20 0 CGADMM CC[C@H](NCc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000647466315 392728559 /nfs/dbraw/zinc/72/85/59/392728559.db2.gz UDIVRFRRTJVOHI-ZDUSSCGKSA-N -1 1 277.295 3.039 20 0 CGADMM CCC[C@@H](CC1CCCC1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000647815766 392808088 /nfs/dbraw/zinc/80/80/88/392808088.db2.gz KHOBMWVNIVVOIX-LBPRGKRZSA-N -1 1 279.384 3.359 20 0 CGADMM CCOc1cc(C(=O)N2CCC(C)CC2)cc(Cl)c1[O-] ZINC000192669423 392857259 /nfs/dbraw/zinc/85/72/59/392857259.db2.gz ALPJBQJXONZHMT-UHFFFAOYSA-N -1 1 297.782 3.316 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(F)c1 ZINC000339120821 392949689 /nfs/dbraw/zinc/94/96/89/392949689.db2.gz OHCZVAGMUCYQOD-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(F)cc1[O-] ZINC000467993488 393116325 /nfs/dbraw/zinc/11/63/25/393116325.db2.gz INHOBRIAHCFVII-XHDPSFHLSA-N -1 1 295.354 3.455 20 0 CGADMM Cc1noc(C)c1[N-]C(=O)c1cnc(-c2ccco2)s1 ZINC000349109533 393137766 /nfs/dbraw/zinc/13/77/66/393137766.db2.gz QFDZTPWFKFWSKT-UHFFFAOYSA-N -1 1 289.316 3.260 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCCc1ccc(C)cc1 ZINC000646409753 393280635 /nfs/dbraw/zinc/28/06/35/393280635.db2.gz WWQSZXCSNIDZAE-UHFFFAOYSA-N -1 1 287.363 3.084 20 0 CGADMM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000649066802 393341935 /nfs/dbraw/zinc/34/19/35/393341935.db2.gz LQGVAMIUDJYJNC-OLZOCXBDSA-N -1 1 288.391 3.076 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@@H]2CCC[C@@H](C)C2)n1 ZINC000432667283 393626165 /nfs/dbraw/zinc/62/61/65/393626165.db2.gz LQOUPVLORZRBJR-NXEZZACHSA-N -1 1 268.382 3.115 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccccc3O)n2)c(Cl)c1 ZINC000445446399 393793909 /nfs/dbraw/zinc/79/39/09/393793909.db2.gz LPEGINXHYLRGQO-UHFFFAOYSA-N -1 1 288.690 3.468 20 0 CGADMM Cc1ccncc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445450631 393794909 /nfs/dbraw/zinc/79/49/09/393794909.db2.gz ZMDIUDKENNXHKP-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM Cc1ccncc1/C=C\c1nc(-c2ccc([O-])cc2F)no1 ZINC000445459845 393796864 /nfs/dbraw/zinc/79/68/64/393796864.db2.gz IHWDWSOYPGFUBG-DJWKRKHSSA-N -1 1 297.289 3.455 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C/c3ccco3)n2)c(F)c1 ZINC000445455744 393796949 /nfs/dbraw/zinc/79/69/49/393796949.db2.gz QQOSHSCALAEUMS-GQCTYLIASA-N -1 1 272.235 3.345 20 0 CGADMM CCc1nocc1C(=O)[N-]c1nnc(C(CC)CC)s1 ZINC000666969291 542830815 /nfs/dbraw/zinc/83/08/15/542830815.db2.gz MGLZLNLSTUDZDS-UHFFFAOYSA-N -1 1 294.380 3.244 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@]2(C)CC(C)C)c([O-])c1 ZINC000452989992 394142390 /nfs/dbraw/zinc/14/23/90/394142390.db2.gz RWTZPJLRSMJQHT-MRXNPFEDSA-N -1 1 276.380 3.136 20 0 CGADMM O=C([O-])c1coc(CNCc2ccccc2C2CC2)c1 ZINC000669469927 543108229 /nfs/dbraw/zinc/10/82/29/543108229.db2.gz NFSHNGMHAGQZBC-UHFFFAOYSA-N -1 1 271.316 3.145 20 0 CGADMM Cc1oc(C(C)C)nc1C(=O)Nc1c([O-])cccc1F ZINC000671784959 543189965 /nfs/dbraw/zinc/18/99/65/543189965.db2.gz OYJHLPUVRDXOBR-UHFFFAOYSA-N -1 1 278.283 3.203 20 0 CGADMM CC(C)=CCC[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000650748723 397907080 /nfs/dbraw/zinc/90/70/80/397907080.db2.gz MHLQTVBGLXHKQV-NSHDSACASA-N -1 1 265.328 3.396 20 0 CGADMM CC(C)c1cccc(C(=O)Nc2c([O-])cccc2F)n1 ZINC000675600459 543347848 /nfs/dbraw/zinc/34/78/48/543347848.db2.gz CYYGFGJAFMIHQW-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM CCCCc1nc(CN2CCC[C@H](CC(=O)[O-])C2)cs1 ZINC000676234145 543387594 /nfs/dbraw/zinc/38/75/94/543387594.db2.gz XRXAICIGADMJET-GFCCVEGCSA-N -1 1 296.436 3.172 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc(-c2ccccc2)on1 ZINC000676702075 543410429 /nfs/dbraw/zinc/41/04/29/543410429.db2.gz PNADIYFJERGTTQ-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC2(CC(F)C2)C1 ZINC000677125545 543434032 /nfs/dbraw/zinc/43/40/32/543434032.db2.gz ZUUHXFXIPGCKGE-UHFFFAOYSA-N -1 1 285.318 3.120 20 0 CGADMM Cc1cccc(N(C)C(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000678311291 543513626 /nfs/dbraw/zinc/51/36/26/543513626.db2.gz VMHHFBOUPTVSFD-UHFFFAOYSA-N -1 1 284.359 3.496 20 0 CGADMM CCN(C(=O)c1ccc(OC)cc1[O-])c1ccc(F)cc1 ZINC000052077019 286935692 /nfs/dbraw/zinc/93/56/92/286935692.db2.gz ARFGFHZQOMKOKH-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1 ZINC000074842486 287019161 /nfs/dbraw/zinc/01/91/61/287019161.db2.gz QZKZSJWTMHUPTI-UHFFFAOYSA-N -1 1 286.356 3.277 20 0 CGADMM O=S(=O)(CCCC1CCCC1)c1ccc([O-])cc1 ZINC000078797453 165139164 /nfs/dbraw/zinc/13/91/64/165139164.db2.gz HMUXYPQZAGKYIB-UHFFFAOYSA-N -1 1 268.378 3.136 20 0 CGADMM CCc1cnc(NC(=O)c2cn[nH]c2-c2ccccc2)s1 ZINC000081231838 165161438 /nfs/dbraw/zinc/16/14/38/165161438.db2.gz HLHOWLOIEUFGKX-UHFFFAOYSA-N -1 1 298.371 3.348 20 0 CGADMM COc1ccc(-c2nc(-c3ccc(C)cc3)no2)c([O-])c1 ZINC000111687104 287135828 /nfs/dbraw/zinc/13/58/28/287135828.db2.gz WFGLXBULEMBUHL-UHFFFAOYSA-N -1 1 282.299 3.426 20 0 CGADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)nc2)c(C)c1 ZINC000121334259 287196879 /nfs/dbraw/zinc/19/68/79/287196879.db2.gz NPBSWBIXKKPOAI-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM C[C@@H]1CC(NC(=O)c2c(F)ccc([O-])c2F)C[C@@H](C)C1 ZINC000289514286 287225956 /nfs/dbraw/zinc/22/59/56/287225956.db2.gz OYOJFYRASBLCFN-IUCAKERBSA-N -1 1 283.318 3.225 20 0 CGADMM Cc1cncc(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000124187519 287230240 /nfs/dbraw/zinc/23/02/40/287230240.db2.gz ABTNPVDSBOHGKP-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM CCS[C@H]1CCC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000128169549 287304959 /nfs/dbraw/zinc/30/49/59/287304959.db2.gz UEFSLVKRAVNXKZ-QWRGUYRKSA-N -1 1 297.395 3.325 20 0 CGADMM O=C(/C=C/c1cc2ccccc2o1)[N-]O[C@H]1CCCCO1 ZINC000128186368 287305599 /nfs/dbraw/zinc/30/55/99/287305599.db2.gz IULUCILVQSSBAC-FDMDGMSGSA-N -1 1 287.315 3.020 20 0 CGADMM CC(C)(C)[C@H]1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000071203177 176078489 /nfs/dbraw/zinc/07/84/89/176078489.db2.gz GANFBGOGMNIFNY-LBPRGKRZSA-N -1 1 276.380 3.076 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1F ZINC000048652214 416456792 /nfs/dbraw/zinc/45/67/92/416456792.db2.gz BPJHPEDVNZPNEG-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM CC[C@@H]1CN(Cc2cc(C(=O)[O-])sc2C)[C@@H](CC)CO1 ZINC000403794231 416549337 /nfs/dbraw/zinc/54/93/37/416549337.db2.gz ZFKWHEBWHRLUJR-QWHCGFSZSA-N -1 1 297.420 3.144 20 0 CGADMM CC[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@H](C)CO1 ZINC000403876453 416550720 /nfs/dbraw/zinc/55/07/20/416550720.db2.gz MSZAXBINDLPAHH-IUODEOHRSA-N -1 1 299.370 3.185 20 0 CGADMM O=C([O-])C[C@H]1CCCCN1Cc1cc(F)ccc1Cl ZINC000124451660 416507016 /nfs/dbraw/zinc/50/70/16/416507016.db2.gz ZPHCLQORUSDTBX-GFCCVEGCSA-N -1 1 285.746 3.308 20 0 CGADMM O=C(Nc1cccc2cccnc21)c1ccc([O-])c(F)c1 ZINC000681015906 543756752 /nfs/dbraw/zinc/75/67/52/543756752.db2.gz JKWWIKRRBWXHMI-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)c(F)c1 ZINC000681016538 543757050 /nfs/dbraw/zinc/75/70/50/543757050.db2.gz ZVQSCWCRVOJGRY-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@@H](c1cccs1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681019750 543757719 /nfs/dbraw/zinc/75/77/19/543757719.db2.gz QJPROBXEFYZSKK-VIFPVBQESA-N -1 1 279.336 3.426 20 0 CGADMM CC[C@@H](C)CN(CC)C(=O)c1ccc([O-])c(F)c1 ZINC000681051503 543761605 /nfs/dbraw/zinc/76/16/05/543761605.db2.gz DDIBZGYYIONAGL-SNVBAGLBSA-N -1 1 253.317 3.040 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N(CC(F)F)CC1CCC1 ZINC000681060300 543762216 /nfs/dbraw/zinc/76/22/16/543762216.db2.gz CUPAIYQMANKBOP-UHFFFAOYSA-N -1 1 287.281 3.039 20 0 CGADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000683173610 543900709 /nfs/dbraw/zinc/90/07/09/543900709.db2.gz NBUNQMUMNSWHQP-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM C[C@@H](CN(Cc1nc(C(C)(C)C)cs1)C1CC1)C(=O)[O-] ZINC000652488779 418974278 /nfs/dbraw/zinc/97/42/78/418974278.db2.gz LEWJANWGWFDVTA-JTQLQIEISA-N -1 1 296.436 3.126 20 0 CGADMM CCN(CCC(F)(F)F)Cc1ccc(C(=O)[O-])s1 ZINC000652405589 418962798 /nfs/dbraw/zinc/96/27/98/418962798.db2.gz XHABVSYMAUPHCS-UHFFFAOYSA-N -1 1 281.299 3.221 20 0 CGADMM [O-]c1ccc(-c2noc(C3CC4(CC4)C3)n2)cc1F ZINC000664850023 419014229 /nfs/dbraw/zinc/01/42/29/419014229.db2.gz IVYPKQAIYAWQJK-UHFFFAOYSA-N -1 1 260.268 3.239 20 0 CGADMM Cc1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)cn1 ZINC000655501067 419054146 /nfs/dbraw/zinc/05/41/46/419054146.db2.gz NZVYIBIQJGOIPW-UHFFFAOYSA-N -1 1 273.361 3.055 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](C2CCC2)C1 ZINC000665676087 419146909 /nfs/dbraw/zinc/14/69/09/419146909.db2.gz CMNYJKJMJFYYAI-NSHDSACASA-N -1 1 279.767 3.308 20 0 CGADMM Cc1cc2[n-]c(CCC3CCOCC3)nc(=O)c2s1 ZINC000656492146 419178146 /nfs/dbraw/zinc/17/81/46/419178146.db2.gz XLJOWCZFPQPQFY-UHFFFAOYSA-N -1 1 278.377 3.065 20 0 CGADMM C[C@H](N(C)C(=O)c1ncc2ccccc2c1[O-])C(C)(C)C ZINC000666034392 419181547 /nfs/dbraw/zinc/18/15/47/419181547.db2.gz DVIXSRWWQVIREW-NSHDSACASA-N -1 1 286.375 3.447 20 0 CGADMM CCC[C@H](NCc1cc2cccc(CC)c2o1)C(=O)[O-] ZINC000656564344 419183761 /nfs/dbraw/zinc/18/37/61/419183761.db2.gz KCJOPCBZSTYMTD-AWEZNQCLSA-N -1 1 275.348 3.338 20 0 CGADMM CSc1cc(O)ccc1[N-]C(=O)c1ncc(F)cc1F ZINC000192223792 287597304 /nfs/dbraw/zinc/59/73/04/287597304.db2.gz USYSPHWDWGSSQZ-UHFFFAOYSA-N -1 1 296.298 3.040 20 0 CGADMM CC[C@@H]1C[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000227034653 287636908 /nfs/dbraw/zinc/63/69/08/287636908.db2.gz LYDBYMUASOYQOW-QMTHXVAHSA-N -1 1 255.317 3.074 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cccc(OC)c2)n1 ZINC000041627745 270031435 /nfs/dbraw/zinc/03/14/35/270031435.db2.gz LIDYDZOIEHGIBU-UHFFFAOYSA-N -1 1 290.388 3.023 20 0 CGADMM Cc1nc(C)c(CNC(=O)c2ccc3ccccc3c2[O-])o1 ZINC000320670895 265001069 /nfs/dbraw/zinc/00/10/69/265001069.db2.gz LDCSWUBGQQTDBK-UHFFFAOYSA-N -1 1 296.326 3.080 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000044490243 270035554 /nfs/dbraw/zinc/03/55/54/270035554.db2.gz ROMFMLJIBPEZNL-SECBINFHSA-N -1 1 298.180 3.027 20 0 CGADMM O=C(NC[C@H]1CC=CCC1)c1ccc(Cl)cc1[O-] ZINC000044569529 270037085 /nfs/dbraw/zinc/03/70/85/270037085.db2.gz HNHLYFYNSVHQDD-JTQLQIEISA-N -1 1 265.740 3.132 20 0 CGADMM CN(CCc1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000045178225 270038263 /nfs/dbraw/zinc/03/82/63/270038263.db2.gz AYXZZRAUMDZQIV-UHFFFAOYSA-N -1 1 289.762 3.360 20 0 CGADMM O=C(Nc1ccsc1)c1cc(Br)ccc1[O-] ZINC000227636546 270087327 /nfs/dbraw/zinc/08/73/27/270087327.db2.gz MDSUYBOXFNUGTR-UHFFFAOYSA-N -1 1 298.161 3.469 20 0 CGADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000528171552 270156323 /nfs/dbraw/zinc/15/63/23/270156323.db2.gz URQSDYDDDJXAAZ-VXFNFUGZSA-N -1 1 292.310 3.108 20 0 CGADMM CCCC1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000532108363 270213722 /nfs/dbraw/zinc/21/37/22/270213722.db2.gz MGBUMNUJLPZHBR-UHFFFAOYSA-N -1 1 293.388 3.291 20 0 CGADMM O=C(CC1CCCCC1)Nc1ccc(F)cc1[O-] ZINC000532267185 270214778 /nfs/dbraw/zinc/21/47/78/270214778.db2.gz INWJVZCZKSBLJH-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM Cc1cncc(/C=C\C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000255194174 287860322 /nfs/dbraw/zinc/86/03/22/287860322.db2.gz RALTVBHDMZCCFQ-DJWKRKHSSA-N -1 1 288.734 3.401 20 0 CGADMM CC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCCC1 ZINC000331560432 276173351 /nfs/dbraw/zinc/17/33/51/276173351.db2.gz KLPPHVYGGZKBMQ-UHFFFAOYSA-N -1 1 262.284 3.413 20 0 CGADMM [O-]c1cccc(CN2CCO[C@H](C3CCC3)C2)c1Cl ZINC000414472024 288059299 /nfs/dbraw/zinc/05/92/99/288059299.db2.gz NIBIHVMENCZKOB-AWEZNQCLSA-N -1 1 281.783 3.047 20 0 CGADMM COc1cc(C(=O)N(CC2CC2)C(C)C)cc(Cl)c1[O-] ZINC000526942838 288152524 /nfs/dbraw/zinc/15/25/24/288152524.db2.gz OZDXGKCDNJFBQF-UHFFFAOYSA-N -1 1 297.782 3.315 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCCC12CC2 ZINC000529466779 288249510 /nfs/dbraw/zinc/24/95/10/288249510.db2.gz UIDNRYWTWDRKME-QMMMGPOBSA-N -1 1 267.275 3.189 20 0 CGADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1cccc(F)c1[O-] ZINC000530006494 288282125 /nfs/dbraw/zinc/28/21/25/288282125.db2.gz SRELPIZGSLLZNT-NXEZZACHSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@@H](CN(C)Cc1nc(C(=O)[O-])co1)C1CCCCC1 ZINC000530172629 288292158 /nfs/dbraw/zinc/29/21/58/288292158.db2.gz KAEMRCFPKUKCFR-NSHDSACASA-N -1 1 280.368 3.021 20 0 CGADMM Cc1ccc2nc(-c3cc(C)cc(C)n3)[n-]c(=O)c2c1 ZINC000357063823 281148658 /nfs/dbraw/zinc/14/86/58/281148658.db2.gz CCLNJQMLOQKDNS-UHFFFAOYSA-N -1 1 265.316 3.323 20 0 CGADMM CC(C)CO[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000541887376 288725493 /nfs/dbraw/zinc/72/54/93/288725493.db2.gz YMOSVYDIYJFFKA-SECBINFHSA-N -1 1 271.744 3.045 20 0 CGADMM C[C@@H]1c2ccsc2CCN1C(=O)c1cc(F)ccc1[O-] ZINC000132880721 289096886 /nfs/dbraw/zinc/09/68/86/289096886.db2.gz IEPUEHMETRRNMB-SECBINFHSA-N -1 1 291.347 3.352 20 0 CGADMM O=c1[n-]c(-c2nc3ccccc3o2)nc2ccc(F)cc12 ZINC000554521292 289288912 /nfs/dbraw/zinc/28/89/12/289288912.db2.gz DFLYRKJMLGOMRM-UHFFFAOYSA-N -1 1 281.246 3.283 20 0 CGADMM Cc1cnc(C(=O)N2CC3(CCC3)[C@H]2c2ccco2)c([O-])c1 ZINC000335064552 292871501 /nfs/dbraw/zinc/87/15/01/292871501.db2.gz USLAGTOBIRQXQC-OAHLLOKOSA-N -1 1 298.342 3.056 20 0 CGADMM C[C@@H]1COc2ccccc2CN1Cc1ccc(C(=O)[O-])cc1 ZINC000263581584 297168795 /nfs/dbraw/zinc/16/87/95/297168795.db2.gz XJAYUGPGTLLTCG-CYBMUJFWSA-N -1 1 297.354 3.168 20 0 CGADMM O=C(NC1(c2ccccc2F)CC1)c1ccc([O-])cc1F ZINC000154908986 321753491 /nfs/dbraw/zinc/75/34/91/321753491.db2.gz YSEBDWMOAXCVKD-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM O=C([O-])c1sccc1CN1CCc2ccsc2C1 ZINC000571529175 322301091 /nfs/dbraw/zinc/30/10/91/322301091.db2.gz BQEBIJJJROMLBE-UHFFFAOYSA-N -1 1 279.386 3.066 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2oc(CC)nc2C)n1 ZINC000572213517 322325386 /nfs/dbraw/zinc/32/53/86/322325386.db2.gz BPAPXNDTHKCBKW-UHFFFAOYSA-N -1 1 293.392 3.286 20 0 CGADMM Cc1cc(CN2Cc3ccccc3C[C@H]2C)oc1C(=O)[O-] ZINC000583386670 327337571 /nfs/dbraw/zinc/33/75/71/327337571.db2.gz GZBKXUZRFSHNDY-GFCCVEGCSA-N -1 1 285.343 3.233 20 0 CGADMM CCc1nc(SCC[C@@H]2CCCCO2)[n-]c(=O)c1C ZINC000582618117 329118790 /nfs/dbraw/zinc/11/87/90/329118790.db2.gz UKYBBONSTXACBN-NSHDSACASA-N -1 1 282.409 3.104 20 0 CGADMM Cc1cc(CN2CCC[C@H]2c2ccco2)oc1C(=O)[O-] ZINC000576353609 335193393 /nfs/dbraw/zinc/19/33/93/335193393.db2.gz ZHUDLDJTKMVDFV-LBPRGKRZSA-N -1 1 275.304 3.216 20 0 CGADMM CCc1nc(SCCCC2CCOCC2)[n-]c(=O)c1C ZINC000576649359 335231041 /nfs/dbraw/zinc/23/10/41/335231041.db2.gz MGQYFATWVKGCKU-UHFFFAOYSA-N -1 1 296.436 3.352 20 0 CGADMM COc1cc(/C=C(\C)c2cnccn2)cc(Cl)c1[O-] ZINC000180380199 335578450 /nfs/dbraw/zinc/57/84/50/335578450.db2.gz LIQCWNGNNAQENB-WEVVVXLNSA-N -1 1 276.723 3.405 20 0 CGADMM CCC[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)C1CC1 ZINC000381798223 336073280 /nfs/dbraw/zinc/07/32/80/336073280.db2.gz BSWIDWWXXFXQQW-UHFFFAOYSA-N -1 1 267.756 3.413 20 0 CGADMM CC1(C)C[C@@H](Sc2nc(C3CC3)cc(=O)[n-]2)CCO1 ZINC000581475550 336085959 /nfs/dbraw/zinc/08/59/59/336085959.db2.gz XLRMERZVDUVGEU-JTQLQIEISA-N -1 1 280.393 3.109 20 0 CGADMM C[C@@H](CC(C)(C)C)NC(=O)c1ccc([O-])cc1F ZINC000384578864 336126452 /nfs/dbraw/zinc/12/64/52/336126452.db2.gz WPECGLSGZSUYPO-VIFPVBQESA-N -1 1 253.317 3.086 20 0 CGADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccncc1F ZINC000436691044 533751732 /nfs/dbraw/zinc/75/17/32/533751732.db2.gz WWNNJMWTLVLALK-QMMMGPOBSA-N -1 1 294.713 3.071 20 0 CGADMM C[C@@H]1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436854330 534245898 /nfs/dbraw/zinc/24/58/98/534245898.db2.gz RXIDAGVIMHWKOG-KOLCDFICSA-N -1 1 267.756 3.306 20 0 CGADMM Cc1ccc2[nH]c(CNCc3cc(C(=O)[O-])co3)cc2c1C ZINC000426716968 534358444 /nfs/dbraw/zinc/35/84/44/534358444.db2.gz ZBIUFJGXSQZUDA-UHFFFAOYSA-N -1 1 298.342 3.366 20 0 CGADMM [O-]c1ccc(-c2noc(C3Cc4ccccc4C3)n2)cc1F ZINC000436876713 534451072 /nfs/dbraw/zinc/45/10/72/534451072.db2.gz AWTKNIULGFVXNZ-UHFFFAOYSA-N -1 1 296.301 3.464 20 0 CGADMM O=C([O-])[C@H](NCc1cccc(Cl)c1F)c1ccsc1 ZINC000426795204 534531027 /nfs/dbraw/zinc/53/10/27/534531027.db2.gz XBKBQDAZNUWOSI-GFCCVEGCSA-N -1 1 299.754 3.456 20 0 CGADMM O=C([O-])[C@H](Cc1ccccc1)NCc1cc2ccccc2o1 ZINC000426684792 534529774 /nfs/dbraw/zinc/52/97/74/534529774.db2.gz BXODGKWHQUNATM-INIZCTEOSA-N -1 1 295.338 3.218 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC000089395659 523059315 /nfs/dbraw/zinc/05/93/15/523059315.db2.gz KSSUNQXFFOWILN-UHFFFAOYSA-N -1 1 277.324 3.083 20 0 CGADMM CC(C)(CNC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000436743518 527159768 /nfs/dbraw/zinc/15/97/68/527159768.db2.gz YNDMXLWGYCJAQS-UHFFFAOYSA-N -1 1 287.334 3.239 20 0 CGADMM CC(C)(CNC(=O)c1cncc([O-])c1)C1=CCCCC1 ZINC000354886737 527166423 /nfs/dbraw/zinc/16/64/23/527166423.db2.gz PKLJCWXXGMRLLZ-UHFFFAOYSA-N -1 1 274.364 3.044 20 0 CGADMM CC(C)c1ccccc1N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436775896 528188804 /nfs/dbraw/zinc/18/88/04/528188804.db2.gz SDCYLZOQPXHLFR-UHFFFAOYSA-N -1 1 297.354 3.361 20 0 CGADMM CC(C)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436763808 528540569 /nfs/dbraw/zinc/54/05/69/528540569.db2.gz HVLJJLVNHZIISC-MRXNPFEDSA-N -1 1 297.354 3.088 20 0 CGADMM CC(C)[C@@H]1CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000336587850 528703847 /nfs/dbraw/zinc/70/38/47/528703847.db2.gz NZVLMMGLOZTIRJ-NSHDSACASA-N -1 1 298.180 3.025 20 0 CGADMM CCC[C@@H](N=c1nc([C@@H](C)OC)[n-]s1)C1CCCC1 ZINC000413463344 528966383 /nfs/dbraw/zinc/96/63/83/528966383.db2.gz XNWUXNAZOAPEGP-ZYHUDNBSSA-N -1 1 283.441 3.438 20 0 CGADMM c1ccc2c(c1)nc(-c1nnn[n-]1)cc2NCC1CCCC1 ZINC000738436421 571748958 /nfs/dbraw/zinc/74/89/58/571748958.db2.gz HXOXPZCHYJOOQK-UHFFFAOYSA-N -1 1 294.362 3.017 20 0 CGADMM c1ccc2c(c1)nc(-c1nn[n-]n1)cc2NCC1CCCC1 ZINC000738436421 571748962 /nfs/dbraw/zinc/74/89/62/571748962.db2.gz HXOXPZCHYJOOQK-UHFFFAOYSA-N -1 1 294.362 3.017 20 0 CGADMM O=C(Nc1cc(-c2ccccc2F)no1)c1ccccc1[O-] ZINC000729272656 571894247 /nfs/dbraw/zinc/89/42/47/571894247.db2.gz NTKORTUUZCLLGR-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM C[C@H](c1cccc(Cl)c1)N1CCCN(C(=O)[O-])CC1 ZINC000739059103 572400966 /nfs/dbraw/zinc/40/09/66/572400966.db2.gz SBFOCQNHCDGLBT-LLVKDONJSA-N -1 1 282.771 3.087 20 0 CGADMM CCCn1cc(NC(=O)c2ccc(C(C)C)cc2[O-])cn1 ZINC000743720303 572405220 /nfs/dbraw/zinc/40/52/20/572405220.db2.gz ZXQMMDNPGKOICA-UHFFFAOYSA-N -1 1 287.363 3.374 20 0 CGADMM O=C([O-])c1ccc(CNC2(c3ccc(F)cc3)CCC2)o1 ZINC000740130662 572434161 /nfs/dbraw/zinc/43/41/61/572434161.db2.gz GPVLQDOCCJPVQQ-UHFFFAOYSA-N -1 1 289.306 3.286 20 0 CGADMM O=C([O-])c1occc1CN1CCCC[C@@H]1c1ccco1 ZINC000740282178 572438699 /nfs/dbraw/zinc/43/86/99/572438699.db2.gz TXTAKXUYDNTNBH-GFCCVEGCSA-N -1 1 275.304 3.298 20 0 CGADMM C[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)C1CC1 ZINC000732306757 572459979 /nfs/dbraw/zinc/45/99/79/572459979.db2.gz RYBFMTYGSKMHIF-MRVPVSSYSA-N -1 1 253.729 3.420 20 0 CGADMM Cc1ccccc1[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000732662417 572476119 /nfs/dbraw/zinc/47/61/19/572476119.db2.gz PSRLEXMVRYJNRG-NSHDSACASA-N -1 1 259.271 3.371 20 0 CGADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@@H](C)S1 ZINC000743727939 572681230 /nfs/dbraw/zinc/68/12/30/572681230.db2.gz GURNCNMYDFGJNR-RKDXNWHRSA-N -1 1 285.796 3.012 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CC=CCC2)c1 ZINC000744530630 572761354 /nfs/dbraw/zinc/76/13/54/572761354.db2.gz FJRHYAATJUTQDN-ZDUSSCGKSA-N -1 1 288.343 3.037 20 0 CGADMM Cc1ccc(CCOC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000736802283 572814147 /nfs/dbraw/zinc/81/41/47/572814147.db2.gz FOARSCBQNTZBBI-UHFFFAOYSA-N -1 1 292.281 3.378 20 0 CGADMM CCCc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000737045490 572843745 /nfs/dbraw/zinc/84/37/45/572843745.db2.gz TVSXRCMCVWTHGK-UHFFFAOYSA-N -1 1 273.332 3.220 20 0 CGADMM CCN(Cc1occc1C(=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000829734931 601007452 /nfs/dbraw/zinc/00/74/52/601007452.db2.gz VJTVVCFETLEKLP-LLVKDONJSA-N -1 1 289.331 3.267 20 0 CGADMM C[C@H]1c2ccccc2CN1CCOc1cccc(C(=O)[O-])c1 ZINC000828528525 601116956 /nfs/dbraw/zinc/11/69/56/601116956.db2.gz WWKAEJOJPAFIFY-ZDUSSCGKSA-N -1 1 297.354 3.340 20 0 CGADMM CN(Cc1cccs1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234282700 601613812 /nfs/dbraw/zinc/61/38/12/601613812.db2.gz MIAIWFNOHAXFJL-UHFFFAOYSA-N -1 1 279.336 3.217 20 0 CGADMM O=C([O-])c1sccc1CN1CCC[C@@H]1c1ccccn1 ZINC000833348867 601829631 /nfs/dbraw/zinc/82/96/31/601829631.db2.gz SQFVOFBOQSEZBX-CYBMUJFWSA-N -1 1 288.372 3.178 20 0 CGADMM Clc1nsc(Sc2ccccc2)c1-c1nnn[n-]1 ZINC000826354623 608169256 /nfs/dbraw/zinc/16/92/56/608169256.db2.gz NHFDIUJPBWJHAU-UHFFFAOYSA-N -1 1 295.780 3.128 20 0 CGADMM Clc1nsc(Sc2ccccc2)c1-c1nn[n-]n1 ZINC000826354623 608169257 /nfs/dbraw/zinc/16/92/57/608169257.db2.gz NHFDIUJPBWJHAU-UHFFFAOYSA-N -1 1 295.780 3.128 20 0 CGADMM CC(C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)=C1CCCC1 ZINC000833413211 604500822 /nfs/dbraw/zinc/50/08/22/604500822.db2.gz YFBYUIGHRGJHPN-UHFFFAOYSA-N -1 1 299.330 3.090 20 0 CGADMM CC(C)(C)c1ccc(CN2CCC[C@@H]2C(=O)[O-])s1 ZINC000166275790 604528586 /nfs/dbraw/zinc/52/85/86/604528586.db2.gz PHAVKKPBYQMBEP-LLVKDONJSA-N -1 1 267.394 3.095 20 0 CGADMM CC1(C)CN(Cc2cc(C(=O)[O-])co2)Cc2ccccc21 ZINC000833561829 604777521 /nfs/dbraw/zinc/77/75/21/604777521.db2.gz UVSPMASDITYWTB-UHFFFAOYSA-N -1 1 285.343 3.271 20 0 CGADMM C[C@@H](c1cc(F)ccc1F)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833831597 605909451 /nfs/dbraw/zinc/90/94/51/605909451.db2.gz OOBSFAYCCQAXLJ-OUAUKWLOSA-N -1 1 298.333 3.004 20 0 CGADMM CC(C)c1cccc(Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000824347900 607894639 /nfs/dbraw/zinc/89/46/39/607894639.db2.gz RVSKZFCBKSOLHQ-UHFFFAOYSA-N -1 1 280.335 3.129 20 0 CGADMM CC(C)c1cccc(Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000824347900 607894640 /nfs/dbraw/zinc/89/46/40/607894640.db2.gz RVSKZFCBKSOLHQ-UHFFFAOYSA-N -1 1 280.335 3.129 20 0 CGADMM O=C([N-][C@@H](c1ccccc1)C1CC1)C(F)(F)C(F)F ZINC000175847617 617985483 /nfs/dbraw/zinc/98/54/83/617985483.db2.gz VTOHZOCJKOMDIQ-JTQLQIEISA-N -1 1 275.245 3.154 20 0 CGADMM O=C(c1c([O-])cnc2c(F)cccc21)N1CCCCCC1 ZINC000899905121 620734579 /nfs/dbraw/zinc/73/45/79/620734579.db2.gz SKMJLGLXOMLGSY-UHFFFAOYSA-N -1 1 288.322 3.096 20 0 CGADMM CC(=CC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1)C(C)(C)C ZINC000160382514 618033339 /nfs/dbraw/zinc/03/33/39/618033339.db2.gz OOGLAXBLGRJKHM-HJWRWDBZSA-N -1 1 288.351 3.304 20 0 CGADMM CS[C@H]1CC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000075178213 618766403 /nfs/dbraw/zinc/76/64/03/618766403.db2.gz GOIRRWLGWMQCII-UWVGGRQHSA-N -1 1 285.796 3.060 20 0 CGADMM CC(C)n1c(CNC(=O)CCC2CCCC2)n[n-]c1=S ZINC000066650278 618864455 /nfs/dbraw/zinc/86/44/55/618864455.db2.gz LCRCDMWVFLJHNG-UHFFFAOYSA-N -1 1 296.440 3.108 20 0 CGADMM CSC1CCC(CNc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000895420056 619826535 /nfs/dbraw/zinc/82/65/35/619826535.db2.gz OMOOPBSYQAIRQU-UHFFFAOYSA-N -1 1 287.816 3.169 20 0 CGADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896520517 620020901 /nfs/dbraw/zinc/02/09/01/620020901.db2.gz FHMJRNDRIOTFIA-MNOVXSKESA-N -1 1 285.343 3.122 20 0 CGADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(F)cc(Cl)c1 ZINC000263484795 620321969 /nfs/dbraw/zinc/32/19/69/620321969.db2.gz HBPJCUNYGSOLCP-ONGXEEELSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(F)cc(Cl)c1 ZINC000263484793 620322089 /nfs/dbraw/zinc/32/20/89/620322089.db2.gz HBPJCUNYGSOLCP-KOLCDFICSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@H](CN(C)Cc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC000263468671 620385275 /nfs/dbraw/zinc/38/52/75/620385275.db2.gz DCMVIVXGNUQQFR-SSDOTTSWSA-N -1 1 294.153 3.285 20 0 CGADMM O=C(C[C@@H]1CCC2(CCC2)CO1)Nc1cccc(F)c1[O-] ZINC000899141592 620621621 /nfs/dbraw/zinc/62/16/21/620621621.db2.gz MEBLNCOVUVDNTI-NSHDSACASA-N -1 1 293.338 3.209 20 0 CGADMM O=C(C[C@H]1CCC2(CCC2)CO1)Nc1cccc(F)c1[O-] ZINC000899141590 620621786 /nfs/dbraw/zinc/62/17/86/620621786.db2.gz MEBLNCOVUVDNTI-LLVKDONJSA-N -1 1 293.338 3.209 20 0 CGADMM O=c1cc(-c2ccccc2)nc(SC2CCC2)[n-]1 ZINC000901618475 620948250 /nfs/dbraw/zinc/94/82/50/620948250.db2.gz HIPNABCBQGUFCB-UHFFFAOYSA-N -1 1 258.346 3.494 20 0 CGADMM O=c1cc(-c2ccccc2)nc(S[C@@H]2CCCOC2)[n-]1 ZINC000901618073 620954513 /nfs/dbraw/zinc/95/45/13/620954513.db2.gz CEVPOESYKOYGGZ-GFCCVEGCSA-N -1 1 288.372 3.120 20 0 CGADMM Cc1cc(CNCc2ccc(F)cc2C)oc1C(=O)[O-] ZINC000901943110 621072373 /nfs/dbraw/zinc/07/23/73/621072373.db2.gz SKDKKCNQKKPOIU-UHFFFAOYSA-N -1 1 277.295 3.024 20 0 CGADMM CCOc1cccc([C@H](C)NCc2ccc(C(=O)[O-])o2)c1 ZINC000902164103 621174084 /nfs/dbraw/zinc/17/40/84/621174084.db2.gz HQTCDOGUIMTECX-NSHDSACASA-N -1 1 289.331 3.227 20 0 CGADMM O=C([O-])c1coc(CN[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000902173468 621185501 /nfs/dbraw/zinc/18/55/01/621185501.db2.gz UGMKJRWYBIBJDX-AWEZNQCLSA-N -1 1 291.734 3.408 20 0 CGADMM C[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1Br ZINC000903892270 621823352 /nfs/dbraw/zinc/82/33/52/621823352.db2.gz ZSDYEIAUTJIQNG-SECBINFHSA-N -1 1 298.180 3.132 20 0 CGADMM COc1cnc(C=Cc2cccc(C(C)C)c2)[n-]c1=O ZINC000905076121 622037054 /nfs/dbraw/zinc/03/70/54/622037054.db2.gz ALDOZIIPFHWXHM-FPLPWBNLSA-N -1 1 270.332 3.485 20 0 CGADMM CCCOc1cccc(C=Cc2ncc(OC)c(=O)[n-]2)c1 ZINC000905077083 622037375 /nfs/dbraw/zinc/03/73/75/622037375.db2.gz QYXZEXLYJATSRU-FPLPWBNLSA-N -1 1 286.331 3.150 20 0 CGADMM O=C(OC[C@H]1CCCC2(CCC2)O1)c1ccc([O-])cc1F ZINC000909136242 622398686 /nfs/dbraw/zinc/39/86/86/622398686.db2.gz VJXWKKHXBOTASA-GFCCVEGCSA-N -1 1 294.322 3.180 20 0 CGADMM CC(C)CCSCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909977121 622440463 /nfs/dbraw/zinc/44/04/63/622440463.db2.gz FSAKFDWKNAHOGU-UHFFFAOYSA-N -1 1 289.347 3.388 20 0 CGADMM O=C(CCCC(F)(F)F)Nc1cc([O-])c(F)cc1F ZINC000909985401 622441127 /nfs/dbraw/zinc/44/11/27/622441127.db2.gz JNVLLEYGOBGDHL-UHFFFAOYSA-N -1 1 283.196 3.342 20 0 CGADMM C[C@@H](CC(=O)Nc1cc([O-])c(F)cc1F)C1CC1 ZINC000909980019 622441313 /nfs/dbraw/zinc/44/13/13/622441313.db2.gz XNWOLUFSZWDKHG-ZETCQYMHSA-N -1 1 255.264 3.045 20 0 CGADMM C[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)C(C)(C)C ZINC000909980824 622442594 /nfs/dbraw/zinc/44/25/94/622442594.db2.gz GNKCICCMKYNCQE-ZETCQYMHSA-N -1 1 257.280 3.291 20 0 CGADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909986227 622442850 /nfs/dbraw/zinc/44/28/50/622442850.db2.gz DHQQGXWRSNYINL-NXEZZACHSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986966 622443103 /nfs/dbraw/zinc/44/31/03/622443103.db2.gz FHYVIKOMFFMHMW-XLKFXECMSA-N -1 1 269.291 3.435 20 0 CGADMM O=C(/C=C/C1CCCC1)Nc1cc([O-])c(F)cc1F ZINC000909987963 622444275 /nfs/dbraw/zinc/44/42/75/622444275.db2.gz PGKLOMLBSMDXGO-AATRIKPKSA-N -1 1 267.275 3.355 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000909988074 622445007 /nfs/dbraw/zinc/44/50/07/622445007.db2.gz UEXUPXXRCPIJBB-IWSPIJDZSA-N -1 1 267.275 3.045 20 0 CGADMM CCC[C@H]1C[C@@H](C(=O)Nc2cc(F)cc(F)c2[O-])CCO1 ZINC000910983010 622513246 /nfs/dbraw/zinc/51/32/46/622513246.db2.gz OEXYXXPVONAWSN-ONGXEEELSA-N -1 1 299.317 3.204 20 0 CGADMM O=C([N-]c1cc(C(F)F)ccc1F)c1nnc(C2CC2)o1 ZINC000911891285 622561342 /nfs/dbraw/zinc/56/13/42/622561342.db2.gz FJOUMZKVNIIYLR-UHFFFAOYSA-N -1 1 297.236 3.276 20 0 CGADMM CC(C)(C)CCNC(=O)c1c([O-])cccc1Cl ZINC000057308538 622869113 /nfs/dbraw/zinc/86/91/13/622869113.db2.gz JBPPAIFQMSWODO-UHFFFAOYSA-N -1 1 255.745 3.212 20 0 CGADMM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1cncc([O-])c1 ZINC000171868506 623197632 /nfs/dbraw/zinc/19/76/32/623197632.db2.gz GDMWHKBFHYDRQP-UHFFFAOYSA-N -1 1 296.370 3.288 20 0 CGADMM Cc1cc(CN[C@@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000232424443 623388597 /nfs/dbraw/zinc/38/85/97/623388597.db2.gz KFQXIMBIUXJTOB-NSHDSACASA-N -1 1 259.305 3.137 20 0 CGADMM COC(=O)c1ccc(/C=C\c2ccc([O-])c(Cl)c2)nc1 ZINC000921269158 624579142 /nfs/dbraw/zinc/57/91/42/624579142.db2.gz KEFIJDSLUNIVQI-DJWKRKHSSA-N -1 1 289.718 3.398 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(O)c(Cl)c2)c([O-])c1 ZINC000070333831 625001352 /nfs/dbraw/zinc/00/13/52/625001352.db2.gz PEGKVISSNNRJPD-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1O ZINC000085204546 625802427 /nfs/dbraw/zinc/80/24/27/625802427.db2.gz IKJYTPWVNOREOZ-UHFFFAOYSA-N -1 1 277.707 3.312 20 0 CGADMM [O-]c1ccc(-c2noc([C@@]34C[C@@H]3CCCC4)n2)cc1F ZINC000866976039 625847386 /nfs/dbraw/zinc/84/73/86/625847386.db2.gz KIIPBQQBYHUWHH-BONVTDFDSA-N -1 1 274.295 3.413 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cnc(C2CC2)s1 ZINC000790048837 626419141 /nfs/dbraw/zinc/41/91/41/626419141.db2.gz XVDWWCOYVUOTRI-UHFFFAOYSA-N -1 1 295.751 3.027 20 0 CGADMM CC1(C)CCCC[C@@H]1CC(=O)[N-]OCC(F)(F)F ZINC000752127432 626419660 /nfs/dbraw/zinc/41/96/60/626419660.db2.gz MVWKLZMNNDSLMO-SECBINFHSA-N -1 1 267.291 3.203 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CNCc2ccccc2C(=O)[O-])o1 ZINC000874042638 634508862 /nfs/dbraw/zinc/50/88/62/634508862.db2.gz CUUFOIMPVGLYHW-XHDPSFHLSA-N -1 1 285.343 3.391 20 0 CGADMM O=C([O-])c1coc(CNC/C=C\c2ccc(F)cc2F)c1 ZINC000756306623 626690842 /nfs/dbraw/zinc/69/08/42/626690842.db2.gz LTXJEGJPLNICSD-UPHRSURJSA-N -1 1 293.269 3.059 20 0 CGADMM C/C(=C\c1ccccc1)CNCc1nc(C(=O)[O-])cs1 ZINC000756313866 626691789 /nfs/dbraw/zinc/69/17/89/626691789.db2.gz XFFMUOJXCWYWMA-YRNVUSSQSA-N -1 1 288.372 3.034 20 0 CGADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000839613859 626766387 /nfs/dbraw/zinc/76/63/87/626766387.db2.gz GJRQBOCODCSIFL-BFHYXJOUSA-N -1 1 295.766 3.018 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1c(F)cccc1F ZINC000767303323 627397700 /nfs/dbraw/zinc/39/77/00/627397700.db2.gz VHMLKGULORMGHL-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM O=C(NC1(Cc2ccccc2)CCC1)c1ccc([O-])c(F)c1 ZINC000768253252 627470994 /nfs/dbraw/zinc/47/09/94/627470994.db2.gz AYMPEVCKFVNRBA-UHFFFAOYSA-N -1 1 299.345 3.427 20 0 CGADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1c([O-])cccc1Cl ZINC000769932796 627590471 /nfs/dbraw/zinc/59/04/71/627590471.db2.gz ZPYBTFCMOHATMW-NXEZZACHSA-N -1 1 267.756 3.306 20 0 CGADMM CC(C)c1nsc([N-]C(=O)c2conc2C(C)C)n1 ZINC000874692822 634593125 /nfs/dbraw/zinc/59/31/25/634593125.db2.gz HSQCPRNHNZDGEM-UHFFFAOYSA-N -1 1 280.353 3.025 20 0 CGADMM O=C(OCc1cccc2cccnc21)c1ccc([O-])cc1F ZINC000773578160 627898043 /nfs/dbraw/zinc/89/80/43/627898043.db2.gz FFAKSXOQQZQEMO-UHFFFAOYSA-N -1 1 297.285 3.437 20 0 CGADMM Cc1nc(SC[C@@H]2CC2(Cl)Cl)[n-]c(=O)c1C ZINC000776867078 628237730 /nfs/dbraw/zinc/23/77/30/628237730.db2.gz DKLAAPMZDBPHRM-ZETCQYMHSA-N -1 1 279.192 3.085 20 0 CGADMM O=C(OC/C=C\Cl)c1ccc(Br)c([O-])c1 ZINC000778826605 628374551 /nfs/dbraw/zinc/37/45/51/628374551.db2.gz CPAYEUQOTDXTTM-RJRFIUFISA-N -1 1 291.528 3.064 20 0 CGADMM CC(C)c1noc([N-][C@H]2CCCc3cn(C(C)C)nc32)n1 ZINC000785838149 628890748 /nfs/dbraw/zinc/89/07/48/628890748.db2.gz WGNUOYDAJMDZDF-LBPRGKRZSA-N -1 1 289.383 3.460 20 0 CGADMM CC(C)[C@H]([N-]C(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC000787536595 629016223 /nfs/dbraw/zinc/01/62/23/629016223.db2.gz MZKKEFBHOLLAKX-JTQLQIEISA-N -1 1 295.251 3.482 20 0 CGADMM CN(C(=O)c1c([O-])cccc1Cl)C1(C)CCCC1 ZINC000787856406 629032990 /nfs/dbraw/zinc/03/29/90/629032990.db2.gz KWTFLEZCMKDXFV-UHFFFAOYSA-N -1 1 267.756 3.450 20 0 CGADMM CCc1ccccc1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047742 629179906 /nfs/dbraw/zinc/17/99/06/629179906.db2.gz NVEMORHGEYBCOT-UHFFFAOYSA-N -1 1 290.750 3.184 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc2cccnc21 ZINC000790050738 629180421 /nfs/dbraw/zinc/18/04/21/629180421.db2.gz HUKGGRDTYSNSKL-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM CC[C@@H](C)[C@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790056520 629180855 /nfs/dbraw/zinc/18/08/55/629180855.db2.gz NPPOQPIYPOEIDQ-SFYZADRCSA-N -1 1 256.733 3.061 20 0 CGADMM CC1(C)CCC[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790055144 629181212 /nfs/dbraw/zinc/18/12/12/629181212.db2.gz DJBPAUFDUCUEPE-MRVPVSSYSA-N -1 1 268.744 3.205 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N(CC1CC1)C1CCC1 ZINC000794391479 629539528 /nfs/dbraw/zinc/53/95/28/629539528.db2.gz JXJYUJNJTXQSKP-UHFFFAOYSA-N -1 1 279.767 3.450 20 0 CGADMM C[C@H]1CC/C(=C/C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000863476321 629583232 /nfs/dbraw/zinc/58/32/32/629583232.db2.gz ADTJWQRFIUSIJJ-KLDSGFLGSA-N -1 1 297.358 3.263 20 0 CGADMM O=C(N[C@@H]1CCCC[C@H]1F)c1c([O-])cccc1Cl ZINC000839849710 630025214 /nfs/dbraw/zinc/02/52/14/630025214.db2.gz ZKNDSXIQNMLLSP-NXEZZACHSA-N -1 1 271.719 3.056 20 0 CGADMM C=C/C(C)=C\CC(=O)Nc1nc(Br)ccc1[O-] ZINC000798176215 630030167 /nfs/dbraw/zinc/03/01/67/630030167.db2.gz UCKUWRQENDRRGE-YWEYNIOJSA-N -1 1 297.152 3.011 20 0 CGADMM O=C(Cc1ccc(Cl)s1)[N-]OC1CCCCC1 ZINC000801102733 630324257 /nfs/dbraw/zinc/32/42/57/630324257.db2.gz HBACGTKFDMPSAF-UHFFFAOYSA-N -1 1 273.785 3.325 20 0 CGADMM O=C(OC[C@@H]1Cc2ccccc21)c1ccc([O-])cc1F ZINC000803417862 630475552 /nfs/dbraw/zinc/47/55/52/630475552.db2.gz OODNZPZIQGZJCX-NSHDSACASA-N -1 1 272.275 3.028 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1Cc2cccc(Cl)c2C1 ZINC000807816966 630599827 /nfs/dbraw/zinc/59/98/27/630599827.db2.gz XPFFGPUDTJTJAH-UHFFFAOYSA-N -1 1 291.709 3.341 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC[C@@H]1C1CC1 ZINC000876393535 634826937 /nfs/dbraw/zinc/82/69/37/634826937.db2.gz JAXUQBYXKQZSTO-CYBMUJFWSA-N -1 1 294.782 3.130 20 0 CGADMM COc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1F ZINC000811524032 631082896 /nfs/dbraw/zinc/08/28/96/631082896.db2.gz GRISQTGILUZNAY-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM COC1CCC(CC(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000837086568 634851928 /nfs/dbraw/zinc/85/19/28/634851928.db2.gz PECAGOBOSVUIDR-UHFFFAOYSA-N -1 1 299.317 3.204 20 0 CGADMM CON(C(=O)c1ccccc1[O-])[C@H](C)c1ccccc1C ZINC000820030123 632562365 /nfs/dbraw/zinc/56/23/65/632562365.db2.gz ZWTLGOXDWPKXMP-CYBMUJFWSA-N -1 1 285.343 3.465 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@]12C[C@H]1CCCC2 ZINC000868788487 633363524 /nfs/dbraw/zinc/36/35/24/633363524.db2.gz YOZHGSPYEIVSRS-XLKFXECMSA-N -1 1 267.275 3.189 20 0 CGADMM CCO[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)C1CCCC1 ZINC000868787868 633364090 /nfs/dbraw/zinc/36/40/90/633364090.db2.gz LHIRTNVKSJKZGQ-CQSZACIVSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C1([C@H]2CCCCO2)CCC1 ZINC000869445966 633446084 /nfs/dbraw/zinc/44/60/84/633446084.db2.gz PGKQLSZRKAWQNX-CYBMUJFWSA-N -1 1 293.338 3.209 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)OCC1CC(F)(F)C1 ZINC000869734394 633501862 /nfs/dbraw/zinc/50/18/62/633501862.db2.gz FENUPYQOAFQNCF-UHFFFAOYSA-N -1 1 290.693 3.177 20 0 CGADMM C[C@@H](C(=O)[N-]OCCCC(F)(F)F)c1ccsc1 ZINC000871212698 633728919 /nfs/dbraw/zinc/72/89/19/633728919.db2.gz DKZVEPBXZBIOOU-MRVPVSSYSA-N -1 1 281.299 3.242 20 0 CGADMM O=C(NC1CC2(CSC2)C1)c1ccc2ccccc2c1[O-] ZINC000871512973 633780958 /nfs/dbraw/zinc/78/09/58/633780958.db2.gz ZDBLGVWSBBAUAN-UHFFFAOYSA-N -1 1 299.395 3.171 20 0 CGADMM CC1(C)CCc2c([n-]n(Cc3ccccc3)c2=O)C1 ZINC000871940322 633921321 /nfs/dbraw/zinc/92/13/21/633921321.db2.gz QTDJRLWMLSAUMV-CYBMUJFWSA-N -1 1 256.349 3.211 20 0 CGADMM CCc1[n-]n(-c2ccc(Cl)cc2C)c(=O)c1F ZINC000871943764 633921677 /nfs/dbraw/zinc/92/16/77/633921677.db2.gz AWYIKKOKEFJQNC-LLVKDONJSA-N -1 1 254.692 3.099 20 0 CGADMM CC1(C)CCc2c([n-]n(Cc3cccc(F)c3)c2=O)C1 ZINC000871945194 633922585 /nfs/dbraw/zinc/92/25/85/633922585.db2.gz KVFDXGRDVNAWDJ-ZDUSSCGKSA-N -1 1 274.339 3.350 20 0 CGADMM CCc1[n-]n(-c2ccc(C(F)(F)F)cc2)c(=O)c1F ZINC000871947955 633922856 /nfs/dbraw/zinc/92/28/56/633922856.db2.gz HIKGBKLLVYPWBL-SNVBAGLBSA-N -1 1 274.217 3.156 20 0 CGADMM CCCc1[n-]n(-c2ccc(Cl)nc2)c(=O)c1CC ZINC000871953770 633925904 /nfs/dbraw/zinc/92/59/04/633925904.db2.gz BTZMMFVVLQOKLE-SNVBAGLBSA-N -1 1 265.744 3.264 20 0 CGADMM C[C@@H](c1ccncc1)n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871958901 633928584 /nfs/dbraw/zinc/92/85/84/633928584.db2.gz HLUVCSBGHYEKIS-WCQYABFASA-N -1 1 271.364 3.167 20 0 CGADMM CCCc1c(C)[n-]n(C[C@H]2CCCC2(F)F)c1=O ZINC000871962556 633929412 /nfs/dbraw/zinc/92/94/12/633929412.db2.gz DQWSHVDSJHQDDK-GHMZBOCLSA-N -1 1 258.312 3.056 20 0 CGADMM COCC1(N(C)Cc2cc(C(=O)[O-])ccc2Cl)CCC1 ZINC000872172080 634076865 /nfs/dbraw/zinc/07/68/65/634076865.db2.gz XQRHUYXBRDYJQI-UHFFFAOYSA-N -1 1 297.782 3.039 20 0 CGADMM CCCCNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000834664670 634212589 /nfs/dbraw/zinc/21/25/89/634212589.db2.gz VTBFVEKLVWGJTK-UHFFFAOYSA-N -1 1 288.313 3.386 20 0 CGADMM CCC(C)(CC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825631 634249384 /nfs/dbraw/zinc/24/93/84/634249384.db2.gz MZLFLDDHRCHYEL-UHFFFAOYSA-N -1 1 269.772 3.488 20 0 CGADMM CCc1oc(C(=O)NCc2ccc([O-])c(Cl)c2)cc1C ZINC000834829168 634250798 /nfs/dbraw/zinc/25/07/98/634250798.db2.gz NGNJAFKNXXQUCC-UHFFFAOYSA-N -1 1 293.750 3.439 20 0 CGADMM Cc1ccc2c(c1)N[C@@H](c1cccc([O-])c1Cl)NC2=O ZINC000877863315 635244999 /nfs/dbraw/zinc/24/49/99/635244999.db2.gz DQHOMXJYDNKLPC-CQSZACIVSA-N -1 1 288.734 3.208 20 0 CGADMM CC(C)(C)CC(=O)[N-]OCc1ncc(-c2ccccc2)o1 ZINC000842061072 635269933 /nfs/dbraw/zinc/26/99/33/635269933.db2.gz STXZJCBFOZKQTM-UHFFFAOYSA-N -1 1 288.347 3.326 20 0 CGADMM CC1(C)CO[C@H](CCC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000880236974 635947430 /nfs/dbraw/zinc/94/74/30/635947430.db2.gz NFZZIQJLCVRRHT-SECBINFHSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@H]([N-]C(=O)C(F)(F)C(F)F)C1CCC(F)(F)CC1 ZINC000847244472 636369502 /nfs/dbraw/zinc/36/95/02/636369502.db2.gz DQRQNOGTEPDNQQ-LURJTMIESA-N -1 1 291.235 3.217 20 0 CGADMM COc1cc(C(=O)Nc2ccc(O)cc2)cc(Cl)c1[O-] ZINC000135178369 637095921 /nfs/dbraw/zinc/09/59/21/637095921.db2.gz WOURHUGYGLCLRH-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H]2CCC[C@@H]21 ZINC000890239376 637229094 /nfs/dbraw/zinc/22/90/94/637229094.db2.gz HEJRCHQGRQLZOI-ONGXEEELSA-N -1 1 265.740 3.060 20 0 CGADMM C[C@@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)C=CCC1 ZINC000885682493 637285822 /nfs/dbraw/zinc/28/58/22/637285822.db2.gz QMUSDEMMYOLNMV-CYBMUJFWSA-N -1 1 269.703 3.480 20 0 CGADMM CCCc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000220002494 637599254 /nfs/dbraw/zinc/59/92/54/637599254.db2.gz PJYUBWOEYZPTGP-UHFFFAOYSA-N -1 1 271.316 3.303 20 0 CGADMM COCC(C)(C)Cc1nc(=O)c2c(C)sc(C)c2[n-]1 ZINC000887318877 637795510 /nfs/dbraw/zinc/79/55/10/637795510.db2.gz DNJIOVQYVGPTGM-UHFFFAOYSA-N -1 1 280.393 3.229 20 0 CGADMM C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678361 638047863 /nfs/dbraw/zinc/04/78/63/638047863.db2.gz NQGHTFBGXWRWFR-JGVFFNPUSA-N -1 1 299.729 3.129 20 0 CGADMM CC[C@@H]1CCCC[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858345957 638688840 /nfs/dbraw/zinc/68/88/40/638688840.db2.gz DGNXEXIGFPKUTA-BDAKNGLRSA-N -1 1 255.749 3.216 20 0 CGADMM CCCCO[C@H]1C[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C1(C)C ZINC000858436015 638717573 /nfs/dbraw/zinc/71/75/73/638717573.db2.gz WPOGXFYIUPFTRO-ZJUUUORDSA-N -1 1 299.802 3.231 20 0 CGADMM CCS[C@@H]1CCCC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858437859 638718560 /nfs/dbraw/zinc/71/85/60/638718560.db2.gz OCTZEEQCPZCNRX-RKDXNWHRSA-N -1 1 287.816 3.312 20 0 CGADMM CCO[C@@H]1C[C@H](Nc2cc(Cl)[n-]c(=O)n2)C1(CC)CC ZINC000858437583 638718618 /nfs/dbraw/zinc/71/86/18/638718618.db2.gz GCROVMTXKWDRNB-VHSXEESVSA-N -1 1 299.802 3.231 20 0 CGADMM CC(C)CCC1CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858445332 638722022 /nfs/dbraw/zinc/72/20/22/638722022.db2.gz GJLUYTMABJASKR-UHFFFAOYSA-N -1 1 283.803 3.488 20 0 CGADMM CC(C)(CNc1cc(Cl)[n-]c(=O)n1)C1CCCC1 ZINC000858457097 638725063 /nfs/dbraw/zinc/72/50/63/638725063.db2.gz MVYXRMVAMZIQLP-UHFFFAOYSA-N -1 1 269.776 3.464 20 0 CGADMM C[C@@H]1C[C@H](C(C)(C)C)CCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858548294 638759439 /nfs/dbraw/zinc/75/94/39/638759439.db2.gz STQFMHKZYFWPMR-NXEZZACHSA-N -1 1 283.803 3.487 20 0 CGADMM CC[C@H]1CCCC[C@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858558610 638761911 /nfs/dbraw/zinc/76/19/11/638761911.db2.gz WEWJNJBMIKXWFK-UWVGGRQHSA-N -1 1 269.776 3.464 20 0 CGADMM C[C@H](Nc1cc(Cl)[n-]c(=O)n1)[C@H]1CCC[C@H](C)C1 ZINC000858565064 638762451 /nfs/dbraw/zinc/76/24/51/638762451.db2.gz FPQPTJXQTPYBOO-GUBZILKMSA-N -1 1 269.776 3.462 20 0 CGADMM CC(C)(C)[C@@H]1CCC[C@@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858569793 638995025 /nfs/dbraw/zinc/99/50/25/638995025.db2.gz NYXFPHZQJKJPCQ-BDAKNGLRSA-N -1 1 269.776 3.462 20 0 CGADMM CC1(C)CCC[C@H]1CCNc1cc(Cl)[n-]c(=O)n1 ZINC000858650686 639007057 /nfs/dbraw/zinc/00/70/57/639007057.db2.gz YUBWFCMZRMONSU-VIFPVBQESA-N -1 1 269.776 3.464 20 0 CGADMM Cc1cccc([C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1 ZINC000859350115 639132133 /nfs/dbraw/zinc/13/21/33/639132133.db2.gz KRTLWJOBAAJPKN-NSHDSACASA-N -1 1 259.271 3.371 20 0 CGADMM CC1=C(C)C[C@@](C)(C(=O)[N-]O[C@H]2CCCCO2)CC1 ZINC000931318439 639134530 /nfs/dbraw/zinc/13/45/30/639134530.db2.gz SUBXLPVPQIMTJW-ZFWWWQNUSA-N -1 1 267.369 3.087 20 0 CGADMM CC1=C(C)C[C@](C)(C(=O)[N-]O[C@H]2CCCCO2)CC1 ZINC000931318436 639134655 /nfs/dbraw/zinc/13/46/55/639134655.db2.gz SUBXLPVPQIMTJW-DZGCQCFKSA-N -1 1 267.369 3.087 20 0 CGADMM O=C([O-])[C@@H](NCc1ccccc1F)c1ccc(Cl)cc1 ZINC000074403522 639256063 /nfs/dbraw/zinc/25/60/63/639256063.db2.gz PJZFTCHJXHLIJO-AWEZNQCLSA-N -1 1 293.725 3.395 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@]12CCO[C@H]1CCCC2 ZINC000935020633 639733356 /nfs/dbraw/zinc/73/33/56/639733356.db2.gz GVOZXPMODBDCHF-DZGCQCFKSA-N -1 1 295.766 3.333 20 0 CGADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000935098438 639748162 /nfs/dbraw/zinc/74/81/62/639748162.db2.gz AXAAPFLTSHKOSX-DBIOUOCHSA-N -1 1 263.312 3.152 20 0 CGADMM O=C(CSc1ccccc1)Nc1nc(Cl)ccc1[O-] ZINC000188363344 640133321 /nfs/dbraw/zinc/13/33/21/640133321.db2.gz BWDBAQKMNGMJPA-UHFFFAOYSA-N -1 1 294.763 3.171 20 0 CGADMM O=C(CCc1ccccc1)Nc1nc(Cl)ccc1[O-] ZINC000188369331 640133575 /nfs/dbraw/zinc/13/35/75/640133575.db2.gz GKANYHMTGRZFTI-UHFFFAOYSA-N -1 1 276.723 3.012 20 0 CGADMM CN(C)c1ccc(Cc2cc(F)c([O-])cc2F)cc1 ZINC001250435093 805615795 /nfs/dbraw/zinc/61/57/95/805615795.db2.gz VGBXXSURFVYGAW-UHFFFAOYSA-N -1 1 263.287 3.327 20 0 CGADMM Cc1ccc([O-])c(-c2nccc(C(F)(F)F)n2)c1 ZINC001250467150 805635188 /nfs/dbraw/zinc/63/51/88/805635188.db2.gz PZXPSBACPTUZHZ-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM [O-]c1cccc(-c2nccc(N3CCCC3)n2)c1Cl ZINC001250500055 805656361 /nfs/dbraw/zinc/65/63/61/805656361.db2.gz WWCPKLMZTDVSRH-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM COc1cccc2c1nc(-c1ccc([O-])c(F)c1F)n2C ZINC001250915301 805797824 /nfs/dbraw/zinc/79/78/24/805797824.db2.gz WDHPJALWXUDASQ-UHFFFAOYSA-N -1 1 290.269 3.233 20 0 CGADMM CN(C)c1ccc2[nH]c(-c3c(F)cc([O-])cc3F)nc2c1 ZINC001251007344 805825689 /nfs/dbraw/zinc/82/56/89/805825689.db2.gz HYVJKZYKZLWSCL-UHFFFAOYSA-N -1 1 289.285 3.280 20 0 CGADMM COc1cc2nc(-c3cc(F)c([O-])cc3F)[nH]c2cc1F ZINC001251011045 805827655 /nfs/dbraw/zinc/82/76/55/805827655.db2.gz JFQQJJQOCRDPBL-UHFFFAOYSA-N -1 1 294.232 3.361 20 0 CGADMM O=C([O-])c1ccc(-c2nc3c([nH]2)c(F)c(F)cc3F)s1 ZINC001251014401 805829994 /nfs/dbraw/zinc/82/99/94/805829994.db2.gz GRTXZMDHCRKYIJ-UHFFFAOYSA-N -1 1 298.245 3.407 20 0 CGADMM COc1ccc(-c2nc3cccc(C)c3[nH]2)cc1C(=O)[O-] ZINC001251038677 805833828 /nfs/dbraw/zinc/83/38/28/805833828.db2.gz DNNOSNPKADBKOU-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM Cc1ccc2c([N-]S(=O)(=O)c3ccccc3)cccc2n1 ZINC001251146148 805854978 /nfs/dbraw/zinc/85/49/78/805854978.db2.gz IOAHJVNPVAVVPM-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CCc1nc(C)c(C(=O)Nc2ccc([O-])c(F)c2F)s1 ZINC001157805504 805874190 /nfs/dbraw/zinc/87/41/90/805874190.db2.gz IDNVOQKSZCSVKT-UHFFFAOYSA-N -1 1 298.314 3.250 20 0 CGADMM CCOc1ccc2nc(-c3ccc(F)c([O-])c3)n(C)c2c1 ZINC001251477196 805900482 /nfs/dbraw/zinc/90/04/82/805900482.db2.gz JPRAWWJJRQTIRE-UHFFFAOYSA-N -1 1 286.306 3.484 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1-c1nc2ccc(F)cc2[nH]1 ZINC001251710957 805922034 /nfs/dbraw/zinc/92/20/34/805922034.db2.gz UYDXKHFFCPAECM-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM C/C(Cl)=C\C(=O)Nc1cccc([O-])c1Br ZINC001158830658 806011595 /nfs/dbraw/zinc/01/15/95/806011595.db2.gz AMXNHTRAAWQDRL-AATRIKPKSA-N -1 1 290.544 3.236 20 0 CGADMM CCC[C@H](O)CNc1c(Cl)ccc([O-])c1Cl ZINC001252791639 806116739 /nfs/dbraw/zinc/11/67/39/806116739.db2.gz BQKSEAMCJXSEJC-ZETCQYMHSA-N -1 1 264.152 3.272 20 0 CGADMM [O-]c1cc(F)c(F)c(-c2nnc(Cc3ccccc3)o2)c1 ZINC001253590164 806267284 /nfs/dbraw/zinc/26/72/84/806267284.db2.gz VTYIUSKGBHUYOK-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM [O-]c1cccc(-c2nnc(-c3cccc(F)c3)o2)c1F ZINC001254206118 806364403 /nfs/dbraw/zinc/36/44/03/806364403.db2.gz PQJGSKYPBZNBBY-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM Cc1noc(C2CC2)c1[N-]C(=O)c1ncoc1C(C)C ZINC001254962453 806521537 /nfs/dbraw/zinc/52/15/37/806521537.db2.gz IASNDTWODBILEN-UHFFFAOYSA-N -1 1 275.308 3.224 20 0 CGADMM O=C(Nc1ccc(O)cc1Cl)c1cc(F)ccc1[O-] ZINC000128693695 799019385 /nfs/dbraw/zinc/01/93/85/799019385.db2.gz GQTNQPCFGCWJSD-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc([O-])cc1F ZINC000162548209 799081398 /nfs/dbraw/zinc/08/13/98/799081398.db2.gz OGDOLZUJEVPQAK-GHMZBOCLSA-N -1 1 265.328 3.087 20 0 CGADMM [O-]c1c(F)cccc1NC(=S)NCC1CCCCC1 ZINC000169083982 799086581 /nfs/dbraw/zinc/08/65/81/799086581.db2.gz NFFGAFWQBCHKJQ-UHFFFAOYSA-N -1 1 282.384 3.398 20 0 CGADMM CCCC[C@H](CC)CNC(=O)c1cc(F)ccc1[O-] ZINC000300444090 799205153 /nfs/dbraw/zinc/20/51/53/799205153.db2.gz VVOBLHIOIAKHKL-NSHDSACASA-N -1 1 267.344 3.478 20 0 CGADMM C[C@@H](Cc1ccco1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000315328351 799235481 /nfs/dbraw/zinc/23/54/81/799235481.db2.gz MODWCRSNBHDBSG-LBPRGKRZSA-N -1 1 295.338 3.499 20 0 CGADMM Nc1ccc(-c2nc(CC3CCCCC3)no2)c([O-])c1 ZINC000381941533 799390655 /nfs/dbraw/zinc/39/06/55/799390655.db2.gz UKSKOHNWWLWMHQ-UHFFFAOYSA-N -1 1 273.336 3.147 20 0 CGADMM N#Cc1cc(-c2ccc(OC(F)(F)F)cn2)ccc1[O-] ZINC000383569918 799404291 /nfs/dbraw/zinc/40/42/91/799404291.db2.gz ZHBNCVGUHSAWCA-UHFFFAOYSA-N -1 1 280.205 3.224 20 0 CGADMM C[C@@H](Cc1ccco1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000387039213 799443495 /nfs/dbraw/zinc/44/34/95/799443495.db2.gz NRNMHZQLQPKOOQ-LBPRGKRZSA-N -1 1 295.338 3.499 20 0 CGADMM COc1cccc([O-])c1-c1nc(-c2ccccc2F)no1 ZINC000405249011 799582344 /nfs/dbraw/zinc/58/23/44/799582344.db2.gz IUHACZHASRIEDE-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)Nc2cccc(F)c2[O-])CC1 ZINC000705864348 799953421 /nfs/dbraw/zinc/95/34/21/799953421.db2.gz PXTBAPOMTSYZQC-MGCOHNPYSA-N -1 1 266.316 3.232 20 0 CGADMM C[C@@H]1c2sccc2CCN1C(=O)c1ccc([O-])cc1F ZINC000712284851 800082505 /nfs/dbraw/zinc/08/25/05/800082505.db2.gz OLKSEIPSNISILP-SECBINFHSA-N -1 1 291.347 3.352 20 0 CGADMM C/C=C(\CC)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001116888134 802425222 /nfs/dbraw/zinc/42/52/22/802425222.db2.gz UJJHIPOIGUTAQZ-FPYGCLRLSA-N -1 1 284.153 3.450 20 0 CGADMM S=c1[n-]c2ccc(Nc3ccncc3)cc2s1 ZINC001173883290 808738752 /nfs/dbraw/zinc/73/87/52/808738752.db2.gz GGDJYWBOLBNEST-UHFFFAOYSA-N -1 1 259.359 3.146 20 0 CGADMM Cc1cc(C(=O)Nc2ccc(Br)c([O-])c2)co1 ZINC001117936152 802511035 /nfs/dbraw/zinc/51/10/35/802511035.db2.gz OZPCCQMNNJWKRX-UHFFFAOYSA-N -1 1 296.120 3.308 20 0 CGADMM COC(=O)c1nc(-c2c([O-])cccc2Cl)ccc1C ZINC001244030534 803151262 /nfs/dbraw/zinc/15/12/62/803151262.db2.gz AWOAMROXMCPTQX-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM O=C1CCc2c(cccc2-c2cc(F)c([O-])c(F)c2)N1 ZINC001244095934 803183638 /nfs/dbraw/zinc/18/36/38/803183638.db2.gz DJBPOZKLDWZXRW-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM [O-]c1c(F)cc(-c2ccccc2N2CCOCC2)cc1F ZINC001244096288 803184209 /nfs/dbraw/zinc/18/42/09/803184209.db2.gz GVOSQOPBKLJDHB-UHFFFAOYSA-N -1 1 291.297 3.174 20 0 CGADMM COc1ncc(-c2cc(F)c([O-])c(F)c2)cc1C ZINC001244096771 803185321 /nfs/dbraw/zinc/18/53/21/803185321.db2.gz OESMFYUIFLCRLZ-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM C[C@@H]1C(=O)Nc2ccc(-c3cc(F)c([O-])c(F)c3)cc21 ZINC001244097715 803185529 /nfs/dbraw/zinc/18/55/29/803185529.db2.gz YSLFSVIDGZJRTF-ZETCQYMHSA-N -1 1 275.254 3.393 20 0 CGADMM CCOc1ncc(-c2cc(F)c([O-])c(F)c2)cc1OC ZINC001244098586 803186641 /nfs/dbraw/zinc/18/66/41/803186641.db2.gz MIIMITLSHASYBN-UHFFFAOYSA-N -1 1 281.258 3.140 20 0 CGADMM O=c1c(-c2ccc(Cl)cc2[O-])cccn1-c1cccnc1 ZINC001244472755 803388893 /nfs/dbraw/zinc/38/88/93/803388893.db2.gz PCIJRRMYQKJBSH-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM Cc1cc(-c2ncc3[nH]ccc3n2)cc(Cl)c1[O-] ZINC001244530014 803421595 /nfs/dbraw/zinc/42/15/95/803421595.db2.gz IKDJHYFHXWKQQH-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM Cc1cc(-c2ncc3c(n2)CCCN3)cc(Cl)c1[O-] ZINC001244532575 803422882 /nfs/dbraw/zinc/42/28/82/803422882.db2.gz VXIRVHGPVIXADG-UHFFFAOYSA-N -1 1 275.739 3.169 20 0 CGADMM Cc1cc(-c2ncnc3ccn(C)c32)cc(Cl)c1[O-] ZINC001244531398 803423008 /nfs/dbraw/zinc/42/30/08/803423008.db2.gz YXNIDGWGGNXWCF-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM Cc1cc(-c2cc3c(cn2)ncn3C)cc(Cl)c1[O-] ZINC001244532574 803423203 /nfs/dbraw/zinc/42/32/03/803423203.db2.gz VWGPKPQWBZIKPX-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM COC(=O)c1cnc(-c2c(Cl)ccc([O-])c2F)cc1C ZINC001244539287 803426183 /nfs/dbraw/zinc/42/61/83/803426183.db2.gz UUXGIYRIDIRGDO-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CCOc1nccnc1-c1c(Cl)ccc([O-])c1F ZINC001244540449 803427687 /nfs/dbraw/zinc/42/76/87/803427687.db2.gz OYVSJOMYPIJYSR-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM O=C1Cc2ccc(-c3c(Cl)ccc([O-])c3F)cc2N1 ZINC001244540202 803428715 /nfs/dbraw/zinc/42/87/15/803428715.db2.gz SOQMWLSWHZIQIC-UHFFFAOYSA-N -1 1 277.682 3.346 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cnc3c(c2)CCCN3)c1F ZINC001244543018 803428987 /nfs/dbraw/zinc/42/89/87/803428987.db2.gz PUXJTZVHDLJDTR-UHFFFAOYSA-N -1 1 278.714 3.248 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cn3ncnc3cc2F)c1F ZINC001244542135 803429065 /nfs/dbraw/zinc/42/90/65/803429065.db2.gz XFKLDSBXIWKAKC-UHFFFAOYSA-N -1 1 281.649 3.034 20 0 CGADMM COc1cncc(OC)c1-c1cc(C)c([O-])c(Cl)c1 ZINC001244547440 803432203 /nfs/dbraw/zinc/43/22/03/803432203.db2.gz LBFVPJMPEWHGCH-UHFFFAOYSA-N -1 1 279.723 3.433 20 0 CGADMM CC[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)C(C)(C)C ZINC001133907255 803509495 /nfs/dbraw/zinc/50/94/95/803509495.db2.gz QYFSWWNPAMQJGF-SSDOTTSWSA-N -1 1 292.305 3.224 20 0 CGADMM O=C1Cc2cc(-c3cc4c(cccc4F)o3)ccc2C(=O)[N-]1 ZINC001244928097 803580153 /nfs/dbraw/zinc/58/01/53/803580153.db2.gz SNTGXNNMPUMASV-UHFFFAOYSA-N -1 1 295.269 3.051 20 0 CGADMM CC(C)N(Cc1ccco1)C(=O)c1ccc([O-])cc1F ZINC001136445422 803643451 /nfs/dbraw/zinc/64/34/51/803643451.db2.gz XCESNAFGYMFRBX-UHFFFAOYSA-N -1 1 277.295 3.175 20 0 CGADMM CC1(C)[C@H](C(=O)[N-]O[C@@H]2CCCCO2)[C@H]1c1ccccc1 ZINC001136459577 803643820 /nfs/dbraw/zinc/64/38/20/803643820.db2.gz AEONJWPEGPZNMA-KFWWJZLASA-N -1 1 289.375 3.001 20 0 CGADMM O=C(NCc1cccc2cccnc21)c1ccc(F)c([O-])c1 ZINC001136468626 803644216 /nfs/dbraw/zinc/64/42/16/803644216.db2.gz WZPGEHSOIHSJPZ-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=C([O-])Cc1ccc(F)c(-c2cc3nc[nH]c3cc2F)c1 ZINC001245319124 803699956 /nfs/dbraw/zinc/69/99/56/803699956.db2.gz BNYOUVBPGBCSMC-UHFFFAOYSA-N -1 1 288.253 3.135 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(Cl)[nH]1 ZINC001137674180 803756042 /nfs/dbraw/zinc/75/60/42/803756042.db2.gz JLCUOFZOWSNHAT-UHFFFAOYSA-N -1 1 271.103 3.279 20 0 CGADMM Cc1ccccc1C1=CCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001137789685 803772755 /nfs/dbraw/zinc/77/27/55/803772755.db2.gz ITOCCFDFAAHLNP-UHFFFAOYSA-N -1 1 297.329 3.379 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc4ccoc43)nc2[n-]1 ZINC001245617316 803859595 /nfs/dbraw/zinc/85/95/95/803859595.db2.gz QLDCVKULLSMGCA-UHFFFAOYSA-N -1 1 293.282 3.158 20 0 CGADMM [O-]c1cccc(F)c1-c1c2ncnn2ccc1C(F)(F)F ZINC001245657380 803892662 /nfs/dbraw/zinc/89/26/62/803892662.db2.gz LQGKLJJRKLENDC-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM Cc1cc(NC(=O)c2ccc([O-])cn2)ccc1C1CC1 ZINC001138409106 803918721 /nfs/dbraw/zinc/91/87/21/803918721.db2.gz HJOUJFARWQMBBM-UHFFFAOYSA-N -1 1 268.316 3.225 20 0 CGADMM Cc1ncc([N-]c2cc(-c3ccccn3)no2)s1 ZINC001212128472 814980520 /nfs/dbraw/zinc/98/05/20/814980520.db2.gz QIUMOONFUDFWGN-UHFFFAOYSA-N -1 1 258.306 3.245 20 0 CGADMM [O-]c1ccc(F)c(-c2cc3[nH]cnc3cn2)c1Cl ZINC001245827644 803982854 /nfs/dbraw/zinc/98/28/54/803982854.db2.gz OFRZLWMRDXHEDX-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM CCOc1ccc(-c2c(F)ccc([O-])c2Cl)nn1 ZINC001245828732 803983109 /nfs/dbraw/zinc/98/31/09/803983109.db2.gz VIUDOMBWQLVQKD-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM COc1ccnc(-c2c(F)ccc([O-])c2Cl)c1F ZINC001245830125 803984887 /nfs/dbraw/zinc/98/48/87/803984887.db2.gz JAMDFCKBCBRCLU-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM [O-]c1ccc(F)c(-c2cncc(N3CCCC3)n2)c1Cl ZINC001245830567 803985029 /nfs/dbraw/zinc/98/50/29/803985029.db2.gz RFCHKMYZKVKTOT-UHFFFAOYSA-N -1 1 293.729 3.242 20 0 CGADMM NC(=S)c1ccc(-c2c(F)ccc([O-])c2Cl)cc1 ZINC001245831877 803985744 /nfs/dbraw/zinc/98/57/44/803985744.db2.gz PKODANVYWFGLQI-UHFFFAOYSA-N -1 1 281.739 3.486 20 0 CGADMM CN(C)c1cc(-c2c(F)ccc([O-])c2Cl)ccn1 ZINC001245832369 803986423 /nfs/dbraw/zinc/98/64/23/803986423.db2.gz VVJWXFTUEJVUTH-UHFFFAOYSA-N -1 1 266.703 3.313 20 0 CGADMM CNC(=O)c1ccccc1-c1c(F)ccc([O-])c1Cl ZINC001245831842 803987355 /nfs/dbraw/zinc/98/73/55/803987355.db2.gz QCEAXYOSSMUNJP-UHFFFAOYSA-N -1 1 279.698 3.211 20 0 CGADMM COc1ccncc1-c1c(F)ccc([O-])c1Cl ZINC001245833036 803987928 /nfs/dbraw/zinc/98/79/28/803987928.db2.gz RXQQAECRYQIFCB-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM CNC(=O)c1ccc(-c2c(F)ccc([O-])c2Cl)cc1F ZINC001245833077 803988907 /nfs/dbraw/zinc/98/89/07/803988907.db2.gz XYYHNWVJBITAJO-UHFFFAOYSA-N -1 1 297.688 3.350 20 0 CGADMM CC(C)Cc1cc(=O)n(C(=S)c2ccc(F)cc2)[n-]1 ZINC001245932354 804059968 /nfs/dbraw/zinc/05/99/68/804059968.db2.gz LXKZVKIMVRTKFT-UHFFFAOYSA-N -1 1 278.352 3.150 20 0 CGADMM Nc1ccc(-c2cc(=O)n(Cc3ccc(F)cc3)[n-]2)cc1 ZINC001245936325 804067434 /nfs/dbraw/zinc/06/74/34/804067434.db2.gz JJSCEWASQVXRSX-UHFFFAOYSA-N -1 1 283.306 3.025 20 0 CGADMM Cc1[nH]c(CN2CCc3cc(C)ccc3C2)c(C)c1C(=O)[O-] ZINC001140499506 804448954 /nfs/dbraw/zinc/44/89/54/804448954.db2.gz RLTWOZMUGHPILC-UHFFFAOYSA-N -1 1 298.386 3.196 20 0 CGADMM COC[C@H]1CCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140835111 804532052 /nfs/dbraw/zinc/53/20/52/804532052.db2.gz LZFSTXYUPBPDAK-VIFPVBQESA-N -1 1 290.190 3.167 20 0 CGADMM O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(F)c([O-])c1 ZINC001141414076 804639725 /nfs/dbraw/zinc/63/97/25/804639725.db2.gz RBPVHBOBDYOWAY-MRXNPFEDSA-N -1 1 285.318 3.412 20 0 CGADMM O=C(NCC(F)(F)c1ccccc1)c1cccc([O-])c1F ZINC001141687680 804663731 /nfs/dbraw/zinc/66/37/31/804663731.db2.gz SGXRPOMJBJGSIL-UHFFFAOYSA-N -1 1 295.260 3.053 20 0 CGADMM C[C@H](Cc1ccccc1F)NC(=O)c1cccc([O-])c1F ZINC001142079227 804693385 /nfs/dbraw/zinc/69/33/85/804693385.db2.gz KPNUVVOAWIKRCE-SNVBAGLBSA-N -1 1 291.297 3.031 20 0 CGADMM C[N@H+](Cc1c(Cl)cc(O)cc1Cl)C1CCOCC1 ZINC001142105721 804695044 /nfs/dbraw/zinc/69/50/44/804695044.db2.gz KPOJBZZYEKCDDE-UHFFFAOYSA-N -1 1 290.190 3.310 20 0 CGADMM [O-]c1cc(F)c(CN2CC3(C2)CCCCC3)c(F)c1 ZINC001144558693 805005357 /nfs/dbraw/zinc/00/53/57/805005357.db2.gz ACPGQOCPKBHZKC-UHFFFAOYSA-N -1 1 267.319 3.437 20 0 CGADMM CN(Cc1ccc(F)cc1)Cc1cc(F)c([O-])cc1F ZINC001144647000 805021645 /nfs/dbraw/zinc/02/16/45/805021645.db2.gz UNOLVGJXYBCQAV-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM CCc1cccc(CNC(=O)c2cc(C)cc(C=O)c2[O-])c1 ZINC001144644872 805022126 /nfs/dbraw/zinc/02/21/26/805022126.db2.gz COIJWHIIMGGQCM-UHFFFAOYSA-N -1 1 297.354 3.006 20 0 CGADMM [O-]c1cc(F)c(CN2CCc3ccc(F)cc3C2)cc1F ZINC001144657673 805024373 /nfs/dbraw/zinc/02/43/73/805024373.db2.gz CSVHNXGOMBMGBY-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM CCCOC1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144667519 805031861 /nfs/dbraw/zinc/03/18/61/805031861.db2.gz VLKNRKBZUJUZBL-UHFFFAOYSA-N -1 1 285.334 3.061 20 0 CGADMM CN(Cc1sccc1C(=O)[O-])Cc1ccc(Cl)nc1 ZINC001144677326 805032048 /nfs/dbraw/zinc/03/20/48/805032048.db2.gz LZYGDANXRRNYSE-UHFFFAOYSA-N -1 1 296.779 3.127 20 0 CGADMM Cn1cncc1NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148861018 805212289 /nfs/dbraw/zinc/21/22/89/805212289.db2.gz GWZFFFSEWOJMSG-UHFFFAOYSA-N -1 1 293.326 3.045 20 0 CGADMM CC[C@@H]1CCCN1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249773823 805239908 /nfs/dbraw/zinc/23/99/08/805239908.db2.gz OGYFPTWCGHXDEM-SNVBAGLBSA-N -1 1 269.291 3.037 20 0 CGADMM C[C@@H]1CN(Cc2ccc(F)c(C(=O)[O-])c2F)C2(CC2)C1 ZINC001249779739 805242368 /nfs/dbraw/zinc/24/23/68/805242368.db2.gz DOKXBIXGJMNTJI-VIFPVBQESA-N -1 1 281.302 3.037 20 0 CGADMM Cc1cc(F)c([N-]c2nonc2C2CC2)cc1F ZINC001249795294 805251491 /nfs/dbraw/zinc/25/14/91/805251491.db2.gz GPFYNOUXQDQLJW-UHFFFAOYSA-N -1 1 251.236 3.277 20 0 CGADMM COc1cccc(C(=O)Cc2ccc([O-])c(F)c2F)c1 ZINC001249903143 805292174 /nfs/dbraw/zinc/29/21/74/805292174.db2.gz XUGAQUPPOAFJSW-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccc2ccccc2n1 ZINC001151771152 805310544 /nfs/dbraw/zinc/31/05/44/805310544.db2.gz BHVQUJPSMPXTEL-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CSc1cc(Nc2cc([O-])c(F)c(F)c2F)nn1C ZINC001249960525 805326670 /nfs/dbraw/zinc/32/66/70/805326670.db2.gz MFOKHYUQFBUUQM-UHFFFAOYSA-N -1 1 289.282 3.009 20 0 CGADMM CSc1ncc(Nc2cc([O-])c(F)c(F)c2F)cn1 ZINC001249961265 805328636 /nfs/dbraw/zinc/32/86/36/805328636.db2.gz NRPFHTUSAAVOEM-UHFFFAOYSA-N -1 1 287.266 3.065 20 0 CGADMM COc1cc(Nc2cc([O-])c(F)c(F)c2F)cc(C)n1 ZINC001249960904 805329815 /nfs/dbraw/zinc/32/98/15/805329815.db2.gz WWCCFZKYGGGDEG-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM [O-]c1cc(Nc2ccc3c(c2)OCC3)c(F)c(F)c1F ZINC001249964349 805331924 /nfs/dbraw/zinc/33/19/24/805331924.db2.gz AUJZWOLLEKRWBY-UHFFFAOYSA-N -1 1 281.233 3.488 20 0 CGADMM O=C1Cc2ccc(Nc3cc([O-])c(F)c(F)c3F)cc2N1 ZINC001249964639 805332533 /nfs/dbraw/zinc/33/25/33/805332533.db2.gz JTNYEJWJPVHGGE-UHFFFAOYSA-N -1 1 294.232 3.048 20 0 CGADMM Cc1cccc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC001152113740 805335788 /nfs/dbraw/zinc/33/57/88/805335788.db2.gz HNGSKKATXQZBMN-JTQLQIEISA-N -1 1 291.297 3.470 20 0 CGADMM Cc1cnc(Nc2cc(Cl)c([O-])cc2F)nc1C ZINC001250018016 805370593 /nfs/dbraw/zinc/37/05/93/805370593.db2.gz LOUIHOSHACCFON-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM Nc1cc(F)cnc1Nc1cc(Cl)c([O-])cc1F ZINC001250020209 805372691 /nfs/dbraw/zinc/37/26/91/805372691.db2.gz PHUSVTDFUMUZDB-UHFFFAOYSA-N -1 1 271.654 3.045 20 0 CGADMM Nc1ccc(N(c2cc(Cl)c([O-])cc2F)C2CC2)nc1 ZINC001250023327 805375342 /nfs/dbraw/zinc/37/53/42/805375342.db2.gz JANDCZIDFSZETM-UHFFFAOYSA-N -1 1 293.729 3.462 20 0 CGADMM O=C(Nc1ccc[nH]1)c1c([O-])ccc2ccccc21 ZINC001153498302 805399457 /nfs/dbraw/zinc/39/94/57/805399457.db2.gz BYQPMYLJBNMKAO-UHFFFAOYSA-N -1 1 252.273 3.126 20 0 CGADMM COC(=O)c1ccc(Cc2c(F)cc([O-])cc2F)cc1 ZINC001250125813 805430119 /nfs/dbraw/zinc/43/01/19/805430119.db2.gz OIHVYQAVACNRNO-UHFFFAOYSA-N -1 1 278.254 3.048 20 0 CGADMM COC(=O)c1ccc(Cc2ccc(Cl)c([O-])c2)cc1 ZINC001250126708 805431037 /nfs/dbraw/zinc/43/10/37/805431037.db2.gz CZHKCDAOAZMBOT-UHFFFAOYSA-N -1 1 276.719 3.423 20 0 CGADMM CC/C=C/NC(=O)c1cc2cc(OC)ccc2cc1[O-] ZINC001154756308 805482460 /nfs/dbraw/zinc/48/24/60/805482460.db2.gz IZLKYEQPCRRTDP-QPJJXVBHSA-N -1 1 271.316 3.208 20 0 CGADMM Cc1cnn2cc(Nc3c(F)ccc([O-])c3Cl)cnc12 ZINC001250229458 805506354 /nfs/dbraw/zinc/50/63/54/805506354.db2.gz JHMWANQEPMCZOW-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM CCC[C@H](C)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001257314466 807101960 /nfs/dbraw/zinc/10/19/60/807101960.db2.gz MQLSIRYHQFSHAN-NSHDSACASA-N -1 1 259.353 3.487 20 0 CGADMM CC(C)(C)Cc1nnc(-c2ccc([O-])cc2F)o1 ZINC001257893830 807243677 /nfs/dbraw/zinc/24/36/77/807243677.db2.gz UMFPCKUAXCJAAJ-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM [O-]c1cc(F)cc(-c2nnc(Cc3cccc(F)c3)o2)c1 ZINC001258571586 807493373 /nfs/dbraw/zinc/49/33/73/807493373.db2.gz OUHJXYXXUZXZCH-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccccn2)c(Cl)c1 ZINC001259288318 807678532 /nfs/dbraw/zinc/67/85/32/807678532.db2.gz KGWFEJWUDUKKGU-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM Cc1csc([N-]S(=O)(=O)CCc2ccccc2F)c1 ZINC001259780738 807684486 /nfs/dbraw/zinc/68/44/86/807684486.db2.gz OCQSPOPOBKKDLF-UHFFFAOYSA-N -1 1 299.392 3.180 20 0 CGADMM COc1ccc(CS(=O)(=O)[N-]c2cc(C)cs2)cc1 ZINC001259892508 807692814 /nfs/dbraw/zinc/69/28/14/807692814.db2.gz JQLSPKHQYWGQIK-UHFFFAOYSA-N -1 1 297.401 3.007 20 0 CGADMM O=S(=O)([N-][C@@H](c1ccccc1)C1CCCC1)C(F)F ZINC001259961330 807695191 /nfs/dbraw/zinc/69/51/91/807695191.db2.gz FMYIOCOEEVSCLZ-LBPRGKRZSA-N -1 1 289.347 3.060 20 0 CGADMM CC(C)C[C@@H]([N-]S(=O)(=O)C(F)F)c1ccc(F)cc1 ZINC001259961698 807695245 /nfs/dbraw/zinc/69/52/45/807695245.db2.gz RJCAPXCATGWCIB-LLVKDONJSA-N -1 1 295.326 3.055 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1cc2ccccc2s1 ZINC001260724588 807700062 /nfs/dbraw/zinc/70/00/62/807700062.db2.gz KNDBDLSXLFRBBI-VIFPVBQESA-N -1 1 269.391 3.442 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1cccc(-c2ccccc2)n1 ZINC001260726373 807700253 /nfs/dbraw/zinc/70/02/53/807700253.db2.gz PXKFTQUSZGRBEM-LBPRGKRZSA-N -1 1 290.388 3.289 20 0 CGADMM Cc1ccc2c(cccc2-n2[n-]c(=O)c3cc(N)ccc32)n1 ZINC001212797690 815141712 /nfs/dbraw/zinc/14/17/12/815141712.db2.gz DRFDSMBJPWWWRV-UHFFFAOYSA-N -1 1 290.326 3.170 20 0 CGADMM CN(Cc1ncc(C(C)(C)C)s1)C(C)(C)CC(=O)[O-] ZINC001262158351 807829337 /nfs/dbraw/zinc/82/93/37/807829337.db2.gz HDVHUCDRTYIANY-UHFFFAOYSA-N -1 1 284.425 3.126 20 0 CGADMM Cc1c(F)nccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001212841032 815152169 /nfs/dbraw/zinc/15/21/69/815152169.db2.gz UVVYFQJJIKMSBG-UHFFFAOYSA-N -1 1 286.262 3.085 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc2c(o1)CCCC2 ZINC001263839462 808010796 /nfs/dbraw/zinc/01/07/96/808010796.db2.gz BQMPBAGSRINDRB-UHFFFAOYSA-N -1 1 293.269 3.395 20 0 CGADMM COc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001173803520 808678529 /nfs/dbraw/zinc/67/85/29/808678529.db2.gz FAIWWXDOAPPHDE-UHFFFAOYSA-N -1 1 283.283 3.251 20 0 CGADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cccc(F)c2)c1 ZINC001173835141 808699105 /nfs/dbraw/zinc/69/91/05/808699105.db2.gz BCRZUGRDKZEXSC-UHFFFAOYSA-N -1 1 295.335 3.069 20 0 CGADMM COc1cccc(Nc2cc([O-])c(F)c(F)c2)c1OC ZINC001174018467 808826436 /nfs/dbraw/zinc/82/64/36/808826436.db2.gz ZLPZLFHBKZCSOM-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3n[nH]cc3c2)cc1F ZINC001174272302 808918640 /nfs/dbraw/zinc/91/86/40/808918640.db2.gz BLIYBTZYSUOZMO-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM Cc1cc(O)ccc1Nc1cc([O-])c(F)c(F)c1 ZINC001174564809 809085556 /nfs/dbraw/zinc/08/55/56/809085556.db2.gz WQHXAQCGNXETPQ-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cnc(C2CC2)nc1 ZINC001174617494 809105567 /nfs/dbraw/zinc/10/55/67/809105567.db2.gz XTIKMCRYOZKAPO-UHFFFAOYSA-N -1 1 263.247 3.081 20 0 CGADMM Cc1cc(-n2[n-]c(=O)c3ccc(N)cc32)ccc1OC(C)C ZINC001175196933 809304144 /nfs/dbraw/zinc/30/41/44/809304144.db2.gz ZMIFVFNLCDBNLA-UHFFFAOYSA-N -1 1 297.358 3.409 20 0 CGADMM c1coc(-c2nnc([N-]c3ccc4nccnc4c3)o2)c1 ZINC001175486050 809425198 /nfs/dbraw/zinc/42/51/98/809425198.db2.gz DUSDYIBZYRNPFW-UHFFFAOYSA-N -1 1 279.259 3.016 20 0 CGADMM CCCc1cc(NC(=O)c2cc(SC)ccc2[O-])n[nH]1 ZINC001293660460 809452325 /nfs/dbraw/zinc/45/23/25/809452325.db2.gz PEWWMENBBWOYAC-UHFFFAOYSA-N -1 1 291.376 3.042 20 0 CGADMM CCS(=O)(=O)c1ccc([O-])c(NC=CC(C)(C)C)c1 ZINC001175571125 809455465 /nfs/dbraw/zinc/45/54/65/809455465.db2.gz NPEYNPOPCFJXTH-CMDGGOBGSA-N -1 1 283.393 3.158 20 0 CGADMM Cc1cccc(C)c1CCNC(=O)c1ccc(F)c([O-])c1 ZINC001294644181 809473672 /nfs/dbraw/zinc/47/36/72/809473672.db2.gz SSJKASPOAINDCB-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ccc(C)nc2)c1 ZINC001294728087 809474827 /nfs/dbraw/zinc/47/48/27/809474827.db2.gz CXWMFCXVVBCVNH-UHFFFAOYSA-N -1 1 274.345 3.070 20 0 CGADMM Cc1[nH]nc2cc([N-]c3nnc(-c4ccco4)o3)ccc12 ZINC001175660340 809495094 /nfs/dbraw/zinc/49/50/94/809495094.db2.gz WTGBAYBLJMAXJG-UHFFFAOYSA-N -1 1 281.275 3.258 20 0 CGADMM Cc1n[nH]c2cc([N-]c3nnc(-c4ccco4)o3)ccc12 ZINC001175660340 809495098 /nfs/dbraw/zinc/49/50/98/809495098.db2.gz WTGBAYBLJMAXJG-UHFFFAOYSA-N -1 1 281.275 3.258 20 0 CGADMM CCCCN(C(=O)c1ccc([O-])cn1)C1CCCCC1 ZINC001298563450 809534463 /nfs/dbraw/zinc/53/44/63/809534463.db2.gz UTEYMOYWTMFEMI-UHFFFAOYSA-N -1 1 276.380 3.362 20 0 CGADMM O=C(Nc1ccc(C2CCC2)cn1)c1cccc([O-])c1F ZINC001298703448 809536684 /nfs/dbraw/zinc/53/66/84/809536684.db2.gz YREZCJCTSVPOLR-UHFFFAOYSA-N -1 1 286.306 3.446 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1C[C@H]1c1ccsc1 ZINC001299585403 809551773 /nfs/dbraw/zinc/55/17/73/809551773.db2.gz DIWHBPYMHPQGHE-VHSXEESVSA-N -1 1 295.310 3.474 20 0 CGADMM COc1cc(C)c(C)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC001300691897 809571480 /nfs/dbraw/zinc/57/14/80/809571480.db2.gz QBHHRRIQOOMHLL-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@@]2(C)C2CCCCC2)c([O-])c1 ZINC001302916548 809602031 /nfs/dbraw/zinc/60/20/31/809602031.db2.gz NYBPAMOHKHDNOR-KRWDZBQOSA-N -1 1 288.391 3.281 20 0 CGADMM CC(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001303299312 809607965 /nfs/dbraw/zinc/60/79/65/809607965.db2.gz SQRSUAYGUYWBQP-VXGBXAGGSA-N -1 1 281.783 3.344 20 0 CGADMM CSc1nc(Nc2ccc(C)c(F)c2F)cc(=O)[n-]1 ZINC001176093008 809621246 /nfs/dbraw/zinc/62/12/46/809621246.db2.gz DUVWDIQJYDWZJL-UHFFFAOYSA-N -1 1 283.303 3.234 20 0 CGADMM O=c1ccn(-c2ccc(Nc3ccc(O)cc3F)cc2)[n-]1 ZINC001176417628 809691731 /nfs/dbraw/zinc/69/17/31/809691731.db2.gz VFWYFNKRFDAANE-UHFFFAOYSA-N -1 1 285.278 3.166 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccnc2F)c1F ZINC001176663469 809736890 /nfs/dbraw/zinc/73/68/90/809736890.db2.gz FZGIJCYMEGMRDR-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)cc(C)n1 ZINC001176662902 809737410 /nfs/dbraw/zinc/73/74/10/809737410.db2.gz CCBVOEXITHAJNI-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM Nc1cc(Cl)ncc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663223 809737425 /nfs/dbraw/zinc/73/74/25/809737425.db2.gz CXPGKGMVSKYOJD-UHFFFAOYSA-N -1 1 289.644 3.184 20 0 CGADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)sn1 ZINC001176664833 809738563 /nfs/dbraw/zinc/73/85/63/809738563.db2.gz VKSNKNSSKZIMBC-UHFFFAOYSA-N -1 1 260.240 3.318 20 0 CGADMM Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1CO ZINC001176673434 809741041 /nfs/dbraw/zinc/74/10/41/809741041.db2.gz GQYDVYSDYZKKGZ-UHFFFAOYSA-N -1 1 283.249 3.354 20 0 CGADMM COC(=O)Cc1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001213718629 815325811 /nfs/dbraw/zinc/32/58/11/815325811.db2.gz PJRDQQWSEKKJFU-UHFFFAOYSA-N -1 1 293.269 3.130 20 0 CGADMM Cc1sccc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178785220 809887805 /nfs/dbraw/zinc/88/78/05/809887805.db2.gz QDWUORRECBEEIJ-UHFFFAOYSA-N -1 1 297.326 3.013 20 0 CGADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccsc2)cc1C ZINC001185391803 810260269 /nfs/dbraw/zinc/26/02/69/810260269.db2.gz RFLOJKGQPRRJRQ-UHFFFAOYSA-N -1 1 281.402 3.474 20 0 CGADMM C=Cc1ccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)cc1 ZINC001185989724 810307571 /nfs/dbraw/zinc/30/75/71/810307571.db2.gz FQBUIHGJWSABTQ-UHFFFAOYSA-N -1 1 299.355 3.007 20 0 CGADMM O=C(Nc1ccc2ccncc2c1)c1ccc([O-])c(F)c1 ZINC001186226367 810321342 /nfs/dbraw/zinc/32/13/42/810321342.db2.gz NDGVCQYQZXEBPW-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(NCCC(F)(F)F)Nc1ccc([O-])c(Cl)c1 ZINC001187010551 810379146 /nfs/dbraw/zinc/37/91/46/810379146.db2.gz LOGVGUSSKSPVHA-UHFFFAOYSA-N -1 1 282.649 3.120 20 0 CGADMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001187130856 810387170 /nfs/dbraw/zinc/38/71/70/810387170.db2.gz UVWQDAJJXNZIBH-ZJUUUORDSA-N -1 1 299.367 3.285 20 0 CGADMM Cc1ncsc1CCCSc1nc(C)c(C)c(=O)[n-]1 ZINC001189061513 810540344 /nfs/dbraw/zinc/54/03/44/810540344.db2.gz PUAIVGKOPMWMRK-UHFFFAOYSA-N -1 1 295.433 3.289 20 0 CGADMM CC(C)Cc1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190898724 810656028 /nfs/dbraw/zinc/65/60/28/810656028.db2.gz ZDWLFUBYJAKDGI-UHFFFAOYSA-N -1 1 290.388 3.081 20 0 CGADMM COc1cc(C(=O)N2C[C@H](C)CC23CC3)cc(Cl)c1[O-] ZINC001191147375 810682093 /nfs/dbraw/zinc/68/20/93/810682093.db2.gz NOTANXCSYNGWIE-SECBINFHSA-N -1 1 295.766 3.069 20 0 CGADMM CCCCCCNC(=O)Nc1cccc(F)c1[O-] ZINC001191979743 810761965 /nfs/dbraw/zinc/76/19/65/810761965.db2.gz DUOBPGRHBPDEEJ-UHFFFAOYSA-N -1 1 254.305 3.233 20 0 CGADMM CC(C)(C)c1ccc(C(=O)Nc2ccc[nH]2)c([O-])c1 ZINC001192314979 810786511 /nfs/dbraw/zinc/78/65/11/810786511.db2.gz WHYBOMTZBQZDMC-UHFFFAOYSA-N -1 1 258.321 3.270 20 0 CGADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)CC1CC1 ZINC001192556074 810806031 /nfs/dbraw/zinc/80/60/31/810806031.db2.gz LVSLLBIYBPFCLJ-UHFFFAOYSA-N -1 1 283.318 3.227 20 0 CGADMM CC[C@H](C)C[C@H](C)NC(=O)c1cc([O-])cc(F)c1F ZINC001192679577 810815443 /nfs/dbraw/zinc/81/54/43/810815443.db2.gz XDHDVKAHYFOXMA-IUCAKERBSA-N -1 1 271.307 3.225 20 0 CGADMM CCCCCOC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001193775445 810953309 /nfs/dbraw/zinc/95/33/09/810953309.db2.gz TVNWZJGYWDCWLN-UHFFFAOYSA-N -1 1 259.252 3.409 20 0 CGADMM NC(=O)c1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001214486440 815416581 /nfs/dbraw/zinc/41/65/81/815416581.db2.gz HZFPNRJQUJWEKU-UHFFFAOYSA-N -1 1 280.686 3.027 20 0 CGADMM COc1ncc(F)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482939 815416609 /nfs/dbraw/zinc/41/66/09/815416609.db2.gz VUFJVPQWZGXDQQ-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM Cc1cc(N)cc2cnn(-c3cc(F)c([O-])c(Cl)c3)c21 ZINC001214494325 815417568 /nfs/dbraw/zinc/41/75/68/815417568.db2.gz MWHVSVMGUVRVAN-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM COc1c(C)ccc(F)c1Nc1cc(=O)[n-]c(SC)n1 ZINC001214530252 815420658 /nfs/dbraw/zinc/42/06/58/815420658.db2.gz XVOWQZPUGVRWDC-UHFFFAOYSA-N -1 1 295.339 3.104 20 0 CGADMM O=C(Nc1cc(F)c(F)cc1[O-])Oc1ccc(F)cc1 ZINC001195036350 811188792 /nfs/dbraw/zinc/18/87/92/811188792.db2.gz OCUZZMJDLBBSOO-UHFFFAOYSA-N -1 1 283.205 3.420 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(F)c(F)c1Cl ZINC001195490491 811261952 /nfs/dbraw/zinc/26/19/52/811261952.db2.gz HTQNPQAUQIPPOJ-UHFFFAOYSA-N -1 1 294.710 3.061 20 0 CGADMM O=C([N-]c1cnoc1)c1cnc(Cl)c(Cl)c1Cl ZINC001199333015 811572757 /nfs/dbraw/zinc/57/27/57/811572757.db2.gz SBUMTKKDBVYNOK-UHFFFAOYSA-N -1 1 292.509 3.282 20 0 CGADMM CC[C@@H](C)CNC(=S)Nc1cc(F)c([O-])c(F)c1 ZINC001200255111 811654703 /nfs/dbraw/zinc/65/47/03/811654703.db2.gz VZQLIZNRCDMJBZ-SSDOTTSWSA-N -1 1 274.336 3.003 20 0 CGADMM COc1ccccc1NC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001202128551 812022298 /nfs/dbraw/zinc/02/22/98/812022298.db2.gz BMXKXMNQYMKYKQ-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccncc3)no2)c(Cl)c1 ZINC001215345786 815508395 /nfs/dbraw/zinc/50/83/95/815508395.db2.gz KDVJZDVKHBKWDB-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM COc1ccc(N)cc1Nc1cc(F)c([O-])cc1F ZINC001215574138 815538902 /nfs/dbraw/zinc/53/89/02/815538902.db2.gz YCNSCAWLIYEFAO-UHFFFAOYSA-N -1 1 266.247 3.005 20 0 CGADMM Cc1nn(C)c2ccc([N-]c3nnc(-c4ccco4)o3)cc12 ZINC001204841316 812751085 /nfs/dbraw/zinc/75/10/85/812751085.db2.gz UYRFOKNHBNBPMJ-UHFFFAOYSA-N -1 1 295.302 3.268 20 0 CGADMM Cc1cc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc(C)c1Cl ZINC001205059426 812842264 /nfs/dbraw/zinc/84/22/64/812842264.db2.gz WWZFNIBETGYNQY-UHFFFAOYSA-N -1 1 299.757 3.436 20 0 CGADMM O=C([O-])c1sccc1-c1cc(N2CCCCC2)ccn1 ZINC001205542583 812998413 /nfs/dbraw/zinc/99/84/13/812998413.db2.gz LMYPAWZARVAQCF-UHFFFAOYSA-N -1 1 288.372 3.499 20 0 CGADMM COc1cncc(Nc2c([O-])cc(F)cc2F)c1C ZINC001215734787 815569164 /nfs/dbraw/zinc/56/91/64/815569164.db2.gz MFWQIIFIXZIBKT-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM Cn1ccc2cc(Nc3cc([O-])c(F)c(F)c3)cnc21 ZINC001205765979 813070676 /nfs/dbraw/zinc/07/06/76/813070676.db2.gz XDTWEZLVABLNOA-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM Cc1ccc(Nc2cc([O-])c(F)c(F)c2)c(O)c1 ZINC001206290673 813273417 /nfs/dbraw/zinc/27/34/17/813273417.db2.gz YFVMQUMVJLQMAA-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM C=Cc1ccccc1[N-]S(=O)(=O)c1cc(N)ccc1C ZINC001209942949 814206518 /nfs/dbraw/zinc/20/65/18/814206518.db2.gz PHJRJSZTXXBXSU-UHFFFAOYSA-N -1 1 288.372 3.021 20 0 CGADMM Cc1cc(Nc2ccnc(Cl)c2[O-])ccc1O ZINC001209975584 814226692 /nfs/dbraw/zinc/22/66/92/814226692.db2.gz QNTHTCBEABYRBF-UHFFFAOYSA-N -1 1 250.685 3.198 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccc2cnccc2c1 ZINC001210045762 814263653 /nfs/dbraw/zinc/26/36/53/814263653.db2.gz PMURBLAYJIPSQD-UHFFFAOYSA-N -1 1 299.315 3.161 20 0 CGADMM Fc1cccc(C(F)(F)F)c1[N-]c1cnns1 ZINC001210128983 814303097 /nfs/dbraw/zinc/30/30/97/814303097.db2.gz QNQDHEABLWCFCA-UHFFFAOYSA-N -1 1 263.219 3.440 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc(F)c2O)cc1F ZINC001210199815 814335480 /nfs/dbraw/zinc/33/54/80/814335480.db2.gz QHPPIOSHBPMZAN-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM Nc1cnc(N(c2cccc(Cl)c2[O-])C2CCC2)nc1 ZINC001210220049 814347991 /nfs/dbraw/zinc/34/79/91/814347991.db2.gz KIAYJXLWLAMHDC-UHFFFAOYSA-N -1 1 290.754 3.108 20 0 CGADMM COc1c(F)cccc1Nc1ccnc(Cl)c1[O-] ZINC001210404590 814447817 /nfs/dbraw/zinc/44/78/17/814447817.db2.gz VMJAMUDKYNUCOE-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM C[C@H](O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001210649973 814571766 /nfs/dbraw/zinc/57/17/66/814571766.db2.gz DWADQVDSYLDRIZ-QMMMGPOBSA-N -1 1 265.259 3.467 20 0 CGADMM [O-]c1cccc(-c2nccc(NC3CC3)n2)c1Cl ZINC001242797727 823135512 /nfs/dbraw/zinc/13/55/12/823135512.db2.gz GJUDCSHLXZPHDF-UHFFFAOYSA-N -1 1 261.712 3.077 20 0 CGADMM COC(=O)c1cc(C)nc(-c2cccc([O-])c2Cl)c1 ZINC001242798681 823135635 /nfs/dbraw/zinc/13/56/35/823135635.db2.gz PLFUTDJNUNKMAR-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Fc1nc([N-]c2nccs2)c(F)c(Cl)c1F ZINC001210989890 814700848 /nfs/dbraw/zinc/70/08/48/814700848.db2.gz BWPQXJOJANMPAZ-UHFFFAOYSA-N -1 1 265.647 3.352 20 0 CGADMM CNC(=O)c1ccccc1-c1cccc([O-])c1Cl ZINC001242799979 823136285 /nfs/dbraw/zinc/13/62/85/823136285.db2.gz IPNRFFRTKPTQPM-UHFFFAOYSA-N -1 1 261.708 3.072 20 0 CGADMM Cc1cc(-c2cccc([O-])c2Cl)nc2[nH]cnc21 ZINC001242800457 823136495 /nfs/dbraw/zinc/13/64/95/823136495.db2.gz HMCMAYZEHVSPAM-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM O=C1C=CC(=O)N1c1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242799835 823136576 /nfs/dbraw/zinc/13/65/76/823136576.db2.gz FIMAZJUKKJIAMM-UHFFFAOYSA-N -1 1 299.713 3.142 20 0 CGADMM COC(=O)c1cc(-c2cccc([O-])c2Cl)ncc1C ZINC001242801828 823137268 /nfs/dbraw/zinc/13/72/68/823137268.db2.gz YCPGGGNKSMEBPY-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3nccnc32)cc1F ZINC001211339836 814882079 /nfs/dbraw/zinc/88/20/79/814882079.db2.gz PWUOBQIVSMESHB-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211350915 814884500 /nfs/dbraw/zinc/88/45/00/814884500.db2.gz YKGNKXNUGCXLDR-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM CN(C)c1cc(F)cc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001216157850 815714927 /nfs/dbraw/zinc/71/49/27/815714927.db2.gz YFNZXPSEYGASRU-UHFFFAOYSA-N -1 1 288.282 3.278 20 0 CGADMM [O-]c1cc(F)cnc1Nc1c(Cl)ccnc1Cl ZINC001216301681 815772332 /nfs/dbraw/zinc/77/23/32/815772332.db2.gz WLVRJDNICSVNPZ-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM CN(C)c1ccccc1-c1noc(-c2cc([O-])cc(F)c2)n1 ZINC001216340128 815792021 /nfs/dbraw/zinc/79/20/21/815792021.db2.gz UAOITWGGNGUPSA-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM CCCc1cc([N-]c2ccn(C(=O)OC(C)(C)C)n2)on1 ZINC001216671042 815890411 /nfs/dbraw/zinc/89/04/11/815890411.db2.gz NYLHVRCHHXTEJL-UHFFFAOYSA-N -1 1 292.339 3.350 20 0 CGADMM O=C(Nc1ccc(CO)cc1)c1c([O-])ccc2ccccc21 ZINC001219060077 816264418 /nfs/dbraw/zinc/26/44/18/816264418.db2.gz OVLAADKWHOBKBO-UHFFFAOYSA-N -1 1 293.322 3.290 20 0 CGADMM [O-]c1cc(F)c(-c2cnc(OC3CCC3)nc2)cc1F ZINC001222082824 816343204 /nfs/dbraw/zinc/34/32/04/816343204.db2.gz ISFGBGWVBNHEAM-UHFFFAOYSA-N -1 1 278.258 3.059 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(C)cc3OC)ccc2[n-]1 ZINC001242979970 823197659 /nfs/dbraw/zinc/19/76/59/823197659.db2.gz RMZYTWHQLULLJQ-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(C)cc3OC)cc2[n-]1 ZINC001242979970 823197661 /nfs/dbraw/zinc/19/76/61/823197661.db2.gz RMZYTWHQLULLJQ-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM Cc1ccc2ccccc2c1-c1ccc(-c2nnn[n-]2)nc1 ZINC001242982324 823198708 /nfs/dbraw/zinc/19/87/08/823198708.db2.gz FGRZLLFWPMYXQQ-UHFFFAOYSA-N -1 1 287.326 3.390 20 0 CGADMM Cc1ccc2ccccc2c1-c1ccc(-c2nn[n-]n2)nc1 ZINC001242982324 823198709 /nfs/dbraw/zinc/19/87/09/823198709.db2.gz FGRZLLFWPMYXQQ-UHFFFAOYSA-N -1 1 287.326 3.390 20 0 CGADMM Cc1ccc([C@H](C)OCCCC[P@](=O)([O-])O)cc1 ZINC001225018751 816932580 /nfs/dbraw/zinc/93/25/80/816932580.db2.gz HEQMWVKHANZWJX-LBPRGKRZSA-N -1 1 272.281 3.031 20 0 CGADMM CC(C)[C@H](OCCCC[P@](=O)([O-])O)c1ccccc1 ZINC001225018623 816932878 /nfs/dbraw/zinc/93/28/78/816932878.db2.gz CTUUOGLJTWNGAM-AWEZNQCLSA-N -1 1 286.308 3.358 20 0 CGADMM Cc1ccccc1[C@@H](C)OCCCC[P@](=O)([O-])O ZINC001225018967 816934584 /nfs/dbraw/zinc/93/45/84/816934584.db2.gz NGYSOSJNAFWNKX-GFCCVEGCSA-N -1 1 272.281 3.031 20 0 CGADMM CCC[C@H](OCCCC[P@](=O)([O-])O)[C@H](C)CC ZINC001225023296 816934791 /nfs/dbraw/zinc/93/47/91/816934791.db2.gz WWQPSXYSBYETKE-NEPJUHHUSA-N -1 1 266.318 3.176 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCOc2ccccc21 ZINC001225616299 817113544 /nfs/dbraw/zinc/11/35/44/817113544.db2.gz IBJSJSVYSYQSKA-MRXNPFEDSA-N -1 1 284.311 3.497 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCCc2cccnc21 ZINC001225617008 817114307 /nfs/dbraw/zinc/11/43/07/817114307.db2.gz SPUCIMCHRKQBSB-HNNXBMFYSA-N -1 1 283.327 3.446 20 0 CGADMM C[C@@H](Cc1ccco1)Oc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001226184418 817292598 /nfs/dbraw/zinc/29/25/98/817292598.db2.gz FHBNBQJEAWSMEN-LBPRGKRZSA-N -1 1 296.326 3.452 20 0 CGADMM C[C@H](CCc1ccccc1)Oc1[n-]c(=S)ncc1F ZINC001227383577 817637003 /nfs/dbraw/zinc/63/70/03/817637003.db2.gz POLLHAHHWAYMCJ-SNVBAGLBSA-N -1 1 278.352 3.305 20 0 CGADMM C[C@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1cccc(F)c1 ZINC001227713146 817700318 /nfs/dbraw/zinc/70/03/18/817700318.db2.gz NFDDAUKPXUKHMQ-IUCAKERBSA-N -1 1 290.294 3.053 20 0 CGADMM C[C@@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)c1ccccc1F ZINC001227715119 817702692 /nfs/dbraw/zinc/70/26/92/817702692.db2.gz ZDJYVZRNQVDXBN-RKDXNWHRSA-N -1 1 290.294 3.053 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1-c1nccc2c1ccn2C ZINC001243202264 823288357 /nfs/dbraw/zinc/28/83/57/823288357.db2.gz NFDVGPDUSOSGBG-UHFFFAOYSA-N -1 1 266.300 3.247 20 0 CGADMM CSc1nc(O[C@@H]2CCc3cc(F)ccc32)cc(=O)[n-]1 ZINC001228096198 817811667 /nfs/dbraw/zinc/81/16/67/817811667.db2.gz ZNDNTGSYQVZYDT-LLVKDONJSA-N -1 1 292.335 3.110 20 0 CGADMM C[C@H]1COC[C@@H]1Oc1cc([O-])ccc1C(=O)c1ccccc1 ZINC001228183745 817834819 /nfs/dbraw/zinc/83/48/19/817834819.db2.gz NZGDJTIBSVQKMN-SJCJKPOMSA-N -1 1 298.338 3.037 20 0 CGADMM C[C@H](Oc1cnnc(=S)[n-]1)c1csc(Cl)c1 ZINC001228641703 817961319 /nfs/dbraw/zinc/96/13/19/817961319.db2.gz HMLWGXGDXSAYKL-YFKPBYRVSA-N -1 1 273.770 3.015 20 0 CGADMM S=c1nc2ccc(Br)cc2c(OC2CC2)[n-]1 ZINC001228648691 817962403 /nfs/dbraw/zinc/96/24/03/817962403.db2.gz XWHBAMUOZARUOQ-UHFFFAOYSA-N -1 1 297.177 3.222 20 0 CGADMM CC1(C)C[C@@H](Oc2[n-]c(=S)nc3ccccc32)CCO1 ZINC001228763872 818001878 /nfs/dbraw/zinc/00/18/78/818001878.db2.gz CTAAVUXDQDARDG-JTQLQIEISA-N -1 1 290.388 3.255 20 0 CGADMM CCN(Cc1cccnc1)Cc1ccc(F)c([O-])c1F ZINC001232934445 818474916 /nfs/dbraw/zinc/47/49/16/818474916.db2.gz GATFGHHXIHHGNJ-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM CN(CCOc1ccccc1)Cc1ccc(F)c([O-])c1F ZINC001232934643 818476239 /nfs/dbraw/zinc/47/62/39/818476239.db2.gz COBSPJSOFCPSQJ-UHFFFAOYSA-N -1 1 293.313 3.181 20 0 CGADMM [O-]c1cc(CN2CCC(C(F)F)CC2)cc(F)c1F ZINC001232973002 818488681 /nfs/dbraw/zinc/48/86/81/818488681.db2.gz JJRKHWURVLXNRX-UHFFFAOYSA-N -1 1 277.261 3.148 20 0 CGADMM COc1ccc(F)c(-c2ccc([O-])c(F)c2F)c1 ZINC001243341868 823355076 /nfs/dbraw/zinc/35/50/76/823355076.db2.gz FLAFDEDGKWOMLH-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM [O-]c1ccc(-c2ccc3ncccc3n2)c(F)c1F ZINC001243341558 823355836 /nfs/dbraw/zinc/35/58/36/823355836.db2.gz OGQNOHPYVQFOPJ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1ccc(-c2cccc3ncncc32)c(F)c1F ZINC001243342754 823357868 /nfs/dbraw/zinc/35/78/68/823357868.db2.gz SJOXJTZQMSLLEO-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1ccc(-c2ccccc2N2CCOCC2)c(F)c1F ZINC001243343045 823359632 /nfs/dbraw/zinc/35/96/32/823359632.db2.gz OZECCUJMYLTQFP-UHFFFAOYSA-N -1 1 291.297 3.174 20 0 CGADMM CC[C@H]1CCCC[C@H]1Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234611184 818891521 /nfs/dbraw/zinc/89/15/21/818891521.db2.gz ZXLWDRVPSCMDRY-JOYOIKCWSA-N -1 1 297.326 3.061 20 0 CGADMM Cc1ccc(F)c(-c2cc(C(F)(F)F)ncn2)c1[O-] ZINC001236390130 819445879 /nfs/dbraw/zinc/44/58/79/819445879.db2.gz HUFYWHSJUNJUNB-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM CC(=O)Nc1c(C)ccnc1-c1c(F)ccc(C)c1[O-] ZINC001236391585 819447525 /nfs/dbraw/zinc/44/75/25/819447525.db2.gz PKNQMELDSILWAM-UHFFFAOYSA-N -1 1 274.295 3.169 20 0 CGADMM Cn1cc(-c2cc(F)cc(F)c2[O-])c2ccccc2c1=O ZINC001243501802 823421394 /nfs/dbraw/zinc/42/13/94/823421394.db2.gz CDTSXFYMSBSZFP-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM Cc1cc2nccn2cc1-c1cc(F)cc(F)c1[O-] ZINC001243501888 823421661 /nfs/dbraw/zinc/42/16/61/823421661.db2.gz FOIQDJVSAGQHTK-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cccc2ncncc21 ZINC001243502982 823421687 /nfs/dbraw/zinc/42/16/87/823421687.db2.gz CTOKBSVUMQKLGK-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCn1nnc2c1ccc(-c1cc(F)cc(F)c1[O-])c2C ZINC001243506903 823424661 /nfs/dbraw/zinc/42/46/61/823424661.db2.gz NWRWBQXNTBJLSN-UHFFFAOYSA-N -1 1 289.285 3.410 20 0 CGADMM Cc1ccc(S(C)(=O)=O)cc1-c1cc(F)cc(F)c1[O-] ZINC001243503960 823422565 /nfs/dbraw/zinc/42/25/65/823422565.db2.gz IPYRDUXQSQWFOG-UHFFFAOYSA-N -1 1 298.310 3.049 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc2c(c1)COCC2 ZINC001243505499 823423405 /nfs/dbraw/zinc/42/34/05/823423405.db2.gz GWUCBYASXRWZDQ-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM O=C1CC[C@H](c2ccc(-c3cc(F)cc(F)c3[O-])cc2)N1 ZINC001243507023 823424480 /nfs/dbraw/zinc/42/44/80/823424480.db2.gz QWKHDXOKFXLNPM-CQSZACIVSA-N -1 1 289.281 3.289 20 0 CGADMM COCOc1cc(-c2cc(F)cc(F)c2[O-])ccc1F ZINC001243506710 823424513 /nfs/dbraw/zinc/42/45/13/823424513.db2.gz KBZXZKOJOVUBIK-UHFFFAOYSA-N -1 1 284.233 3.459 20 0 CGADMM COc1cnc(SC)nc1-c1ccc(Cl)c([O-])c1 ZINC001243576428 823451070 /nfs/dbraw/zinc/45/10/70/823451070.db2.gz GMADHBORLWQOPT-UHFFFAOYSA-N -1 1 282.752 3.233 20 0 CGADMM CCOC(=O)c1cncc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243577843 823452018 /nfs/dbraw/zinc/45/20/18/823452018.db2.gz GUGSQRMKPOEKCF-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM COc1ccc(F)nc1-c1ccc(Cl)c([O-])c1 ZINC001243581122 823453992 /nfs/dbraw/zinc/45/39/92/823453992.db2.gz CRLZXUOSFPFCHM-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM CCOC(=O)Cc1cc(-c2ccc(Cl)c([O-])c2)ccn1 ZINC001243584412 823455344 /nfs/dbraw/zinc/45/53/44/823455344.db2.gz QZNBAOYEMPBZKQ-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM Nc1cc(-c2ccc(C(F)(F)F)cc2[O-])ncc1F ZINC001243606059 823464996 /nfs/dbraw/zinc/46/49/96/823464996.db2.gz GCRWKONTPFJJSF-UHFFFAOYSA-N -1 1 272.201 3.194 20 0 CGADMM Cn1cnc2ccc(-c3ccc(C(F)(F)F)cc3[O-])nc21 ZINC001243609070 823466658 /nfs/dbraw/zinc/46/66/58/823466658.db2.gz MKOAFTBEQWPKHI-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(O)cc3C)ccc2[n-]1 ZINC001240643446 821211645 /nfs/dbraw/zinc/21/16/45/821211645.db2.gz GGHTXNRYFFHZBZ-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(O)cc3C)cc2[n-]1 ZINC001240643446 821211652 /nfs/dbraw/zinc/21/16/52/821211652.db2.gz GGHTXNRYFFHZBZ-UHFFFAOYSA-N -1 1 282.299 3.031 20 0 CGADMM Cc1[nH]c2c(ncnc2-c2cc(F)ccc2[O-])c1C ZINC001240693993 821248955 /nfs/dbraw/zinc/24/89/55/821248955.db2.gz LMEOOAFDERKZSB-UHFFFAOYSA-N -1 1 257.268 3.086 20 0 CGADMM [O-]c1ccc(F)cc1-c1ncnc2cccc(F)c21 ZINC001240694229 821249028 /nfs/dbraw/zinc/24/90/28/821249028.db2.gz RNBZJLBBVXDVML-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1ccc(F)cc1-c1cc(C(F)(F)F)ncn1 ZINC001240693888 821249134 /nfs/dbraw/zinc/24/91/34/821249134.db2.gz GIUXDIXZMNFJNN-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM Cc1nc2ccccc2nc1-c1cc(F)ccc1[O-] ZINC001240694114 821250305 /nfs/dbraw/zinc/25/03/05/821250305.db2.gz MSTWGCNBZCPIMI-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM [O-]c1ccc(F)cc1-c1ccc(-n2cccc2)cn1 ZINC001240695101 821251562 /nfs/dbraw/zinc/25/15/62/821251562.db2.gz BDTRZCPXAGQMLH-UHFFFAOYSA-N -1 1 254.264 3.384 20 0 CGADMM CCCSc1cncc(-c2cc(F)ccc2[O-])n1 ZINC001240695753 821251851 /nfs/dbraw/zinc/25/18/51/821251851.db2.gz QBAAFYFJOJYYBF-UHFFFAOYSA-N -1 1 264.325 3.490 20 0 CGADMM COc1ccc2nc(-c3cc(F)ccc3[O-])c(C)nc2c1 ZINC001240695729 821252453 /nfs/dbraw/zinc/25/24/53/821252453.db2.gz OXJFXZOQZMKMLS-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM [O-]c1ccc(-c2ccc(-c3cccnc3)nn2)cc1F ZINC001240781648 821320958 /nfs/dbraw/zinc/32/09/58/821320958.db2.gz DOFNSWRXYXFHHG-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM COc1nc(-c2ccccc2)nc(-c2ccc([O-])c(F)c2)n1 ZINC001240781662 821321044 /nfs/dbraw/zinc/32/10/44/821321044.db2.gz FJASIKRHRWEVRC-UHFFFAOYSA-N -1 1 297.289 3.059 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(C(F)(F)F)nn2)c(F)c1 ZINC001241116503 821570880 /nfs/dbraw/zinc/57/08/80/821570880.db2.gz BINLWBPWBCLXPZ-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM CCOC(=O)c1c(C)ccnc1-c1c(F)cc([O-])cc1F ZINC001241119044 821574050 /nfs/dbraw/zinc/57/40/50/821574050.db2.gz WCCSBXJDNOMPFN-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COC(=O)c1ccc(C)c(-c2c(F)cc([O-])cc2F)c1 ZINC001241120636 821575579 /nfs/dbraw/zinc/57/55/79/821575579.db2.gz DMYMYKOJHZJGNR-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM COC(=O)c1ccccc1-c1c(F)cc([O-])cc1F ZINC001241119839 821576299 /nfs/dbraw/zinc/57/62/99/821576299.db2.gz SVXMHYSKAUMBFS-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)[C@H](O)CCO3)c(F)c1 ZINC001241121016 821577071 /nfs/dbraw/zinc/57/70/71/821577071.db2.gz YLMMXPOWQRIYBK-CYBMUJFWSA-N -1 1 278.254 3.153 20 0 CGADMM O=C1CCc2cccc(-c3c(F)cc([O-])cc3F)c2N1 ZINC001241121008 821577240 /nfs/dbraw/zinc/57/72/40/821577240.db2.gz XXWLRKWXLAAAIF-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM [O-]c1cc(F)c(-c2ccnc(OC(F)F)c2)c(F)c1 ZINC001241122441 821578971 /nfs/dbraw/zinc/57/89/71/821578971.db2.gz DDULVWDVRJILKV-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM [O-]c1cc(F)c(-c2cnc3cccnc3c2)c(F)c1 ZINC001241122476 821579135 /nfs/dbraw/zinc/57/91/35/821579135.db2.gz OUFPPMUNZXVHLO-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM O=c1ccc2cccc(-c3c(F)cc([O-])cc3F)c2o1 ZINC001241122728 821580403 /nfs/dbraw/zinc/58/04/03/821580403.db2.gz XIFLJSNMQZQPET-UHFFFAOYSA-N -1 1 274.222 3.444 20 0 CGADMM CN1CCOc2ccc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241125465 821580949 /nfs/dbraw/zinc/58/09/49/821580949.db2.gz YBDMOQZEMKMULS-UHFFFAOYSA-N -1 1 277.270 3.166 20 0 CGADMM COc1cc(SC)c(-c2c(F)cc([O-])cc2F)cn1 ZINC001241125036 821581045 /nfs/dbraw/zinc/58/10/45/821581045.db2.gz QETHTKZGPDTBQU-UHFFFAOYSA-N -1 1 283.299 3.463 20 0 CGADMM CC(C)c1nc2c(ncnc2-c2c(F)ccc([O-])c2F)[nH]1 ZINC001241290345 821706640 /nfs/dbraw/zinc/70/66/40/821706640.db2.gz QIVOUAKTLILIEH-UHFFFAOYSA-N -1 1 290.273 3.127 20 0 CGADMM Cc1nc(C2CC2)nc(-c2c(F)ccc([O-])c2F)c1F ZINC001241290944 821707811 /nfs/dbraw/zinc/70/78/11/821707811.db2.gz YKFXWZGFZSFILV-UHFFFAOYSA-N -1 1 280.249 3.452 20 0 CGADMM C[C@H]1CCc2nnc(-c3c(F)ccc([O-])c3F)cc2C1 ZINC001241290702 821708461 /nfs/dbraw/zinc/70/84/61/821708461.db2.gz DJBUZTPRMJSLNG-QMMMGPOBSA-N -1 1 276.286 3.252 20 0 CGADMM COc1c(C)nc(C2CC2)nc1-c1c(F)ccc([O-])c1F ZINC001241291358 821708536 /nfs/dbraw/zinc/70/85/36/821708536.db2.gz NKRQWNLCRWPNFX-UHFFFAOYSA-N -1 1 292.285 3.322 20 0 CGADMM C=C(OCC)c1ccc(-c2c(F)ccc([O-])c2F)nn1 ZINC001241291892 821709141 /nfs/dbraw/zinc/70/91/41/821709141.db2.gz WFLXTGOWAOEZFQ-UHFFFAOYSA-N -1 1 278.258 3.135 20 0 CGADMM COCc1nccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242132234 822888633 /nfs/dbraw/zinc/88/86/33/822888633.db2.gz ZYNYCZFLMMEHMV-UHFFFAOYSA-N -1 1 284.237 3.014 20 0 CGADMM COc1c(C)ncnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242134270 822889203 /nfs/dbraw/zinc/88/92/03/822889203.db2.gz WCNLJBKNKMWIRL-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM CCOc1cnc(-c2cc(C(F)(F)F)ccc2[O-])cn1 ZINC001242145278 822893586 /nfs/dbraw/zinc/89/35/86/822893586.db2.gz KDMGWJKVDMGGBE-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM CCN(C)c1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242147873 822894016 /nfs/dbraw/zinc/89/40/16/822894016.db2.gz HHJSUSWXMVNSDX-UHFFFAOYSA-N -1 1 297.280 3.324 20 0 CGADMM Cc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)c(C)n1 ZINC001242147876 822894259 /nfs/dbraw/zinc/89/42/59/822894259.db2.gz HLDJJCPGGARMDX-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM COCc1nccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242151619 822896154 /nfs/dbraw/zinc/89/61/54/822896154.db2.gz SBCVJYBVLDZKLM-UHFFFAOYSA-N -1 1 284.237 3.014 20 0 CGADMM [O-]c1ccc(-c2nccc3nccnc32)cc1C(F)(F)F ZINC001242151916 822896174 /nfs/dbraw/zinc/89/61/74/822896174.db2.gz ZDPLLTNGAOFXHM-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM COC(=O)c1cc(-c2ccc(F)cc2[O-])c(F)cc1F ZINC001242217713 822915069 /nfs/dbraw/zinc/91/50/69/822915069.db2.gz TUVWGXWKOGWBEN-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COC(=O)c1cccc(F)c1-c1ccc(F)cc1[O-] ZINC001242218789 822915453 /nfs/dbraw/zinc/91/54/53/822915453.db2.gz QAMOYQFABRGAEJ-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM O=c1c(-c2ccc(F)cc2[O-])cccn1-c1cccc(F)c1 ZINC001242219847 822916405 /nfs/dbraw/zinc/91/64/05/822916405.db2.gz UCILTOQFWQIJNB-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM CN(C)Cc1cccc(-c2cccc(CC(=O)[O-])c2)c1F ZINC001242265241 822930799 /nfs/dbraw/zinc/93/07/99/822930799.db2.gz BNNZUECPFZNFDQ-UHFFFAOYSA-N -1 1 287.334 3.181 20 0 CGADMM COc1c(F)ccc(-c2cccc(F)c2[O-])c1F ZINC001242351973 822962233 /nfs/dbraw/zinc/96/22/33/822962233.db2.gz FQBKAIGGBDKIGM-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM Cc1cc(N(C)C)ncc1-c1cccc(Cl)c1[O-] ZINC001242364843 822968179 /nfs/dbraw/zinc/96/81/79/822968179.db2.gz RYRRCHGTOXABHZ-UHFFFAOYSA-N -1 1 262.740 3.482 20 0 CGADMM O=C1Cc2c(cccc2-c2cccc(Cl)c2[O-])N1 ZINC001242364547 822968469 /nfs/dbraw/zinc/96/84/69/822968469.db2.gz MZLFKRSXGXYJPW-UHFFFAOYSA-N -1 1 259.692 3.207 20 0 CGADMM O=C1OCc2c1cccc2-c1cccc(Cl)c1[O-] ZINC001242365943 822969016 /nfs/dbraw/zinc/96/90/16/822969016.db2.gz BVJVAOCPWCFPTB-UHFFFAOYSA-N -1 1 260.676 3.383 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cccnc3CC)ccc2[n-]1 ZINC001242523047 823018624 /nfs/dbraw/zinc/01/86/24/823018624.db2.gz GXLVFEQOXFSGJB-UHFFFAOYSA-N -1 1 295.342 3.364 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cccnc3CC)cc2[n-]1 ZINC001242523047 823018625 /nfs/dbraw/zinc/01/86/25/823018625.db2.gz GXLVFEQOXFSGJB-UHFFFAOYSA-N -1 1 295.342 3.364 20 0 CGADMM CC(C)CC(=O)Nc1ccc(Br)c([O-])c1 ZINC001338863542 936336978 /nfs/dbraw/zinc/33/69/78/936336978.db2.gz YQLDRHZHKVRVBF-UHFFFAOYSA-N -1 1 272.142 3.139 20 0 CGADMM C[C@@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C1(C)CC1 ZINC001346654020 936855416 /nfs/dbraw/zinc/85/54/16/936855416.db2.gz BSFIAHLISVDJIN-SECBINFHSA-N -1 1 282.771 3.033 20 0 CGADMM C[C@@H]1CCC(F)(F)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC001347557581 936888625 /nfs/dbraw/zinc/88/86/25/936888625.db2.gz KJOCEUCCYBGURZ-MRVPVSSYSA-N -1 1 289.709 3.305 20 0 CGADMM C[C@@H]1CCc2[n-]n([C@H]3CCOC4(CCCC4)C3)c(=O)c2C1 ZINC001352085492 937035826 /nfs/dbraw/zinc/03/58/26/937035826.db2.gz TUKRHNNJILPKRY-RDBSUJKOSA-N -1 1 290.407 3.113 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC=C(c2ccccc2)C1 ZINC000335827302 926973255 /nfs/dbraw/zinc/97/32/55/926973255.db2.gz YGXPDNXNSAWPBS-UHFFFAOYSA-N -1 1 283.302 3.071 20 0 CGADMM O=C(Nc1c[n-][nH]c1=O)c1cccc(C2CCCC2)c1 ZINC001365212739 937235629 /nfs/dbraw/zinc/23/56/29/937235629.db2.gz UJTOQJBFKLQNTJ-UHFFFAOYSA-N -1 1 271.320 3.025 20 0 CGADMM CC(C)CC[C@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001440891996 937334311 /nfs/dbraw/zinc/33/43/11/937334311.db2.gz QNCLJGVKMPLLFN-JTQLQIEISA-N -1 1 253.317 3.086 20 0 CGADMM COc1ccc([C@@H](C)NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001441116155 937336531 /nfs/dbraw/zinc/33/65/31/937336531.db2.gz JGSIKOCKSDFFAE-SNVBAGLBSA-N -1 1 289.306 3.031 20 0 CGADMM C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(F)c([O-])c1 ZINC001444301823 937351323 /nfs/dbraw/zinc/35/13/23/937351323.db2.gz SKODCFILJNWKFP-JTQLQIEISA-N -1 1 267.344 3.476 20 0 CGADMM CCCCN(C(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001445347652 937356258 /nfs/dbraw/zinc/35/62/58/937356258.db2.gz FOCZFTKZOAMYIT-UHFFFAOYSA-N -1 1 270.332 3.234 20 0 CGADMM CCCc1occc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001451761092 937391801 /nfs/dbraw/zinc/39/18/01/937391801.db2.gz ZHPSRJYTOCZCEB-UHFFFAOYSA-N -1 1 281.258 3.468 20 0 CGADMM Cc1ccc(OCC(=O)Nc2cccc(F)c2[O-])c(C)c1 ZINC001454752037 937412169 /nfs/dbraw/zinc/41/21/69/937412169.db2.gz BWNWIMKJTPQAMT-UHFFFAOYSA-N -1 1 289.306 3.166 20 0 CGADMM CN(C(=O)c1ccc(F)c([O-])c1)[C@@H]1CCc2ccccc2C1 ZINC001457155830 937438941 /nfs/dbraw/zinc/43/89/41/937438941.db2.gz OJJIBGDKRJCXNI-OAHLLOKOSA-N -1 1 299.345 3.161 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccsc1Cl ZINC001457765865 937445317 /nfs/dbraw/zinc/44/53/17/937445317.db2.gz WBDHLPXMYPKLBT-UHFFFAOYSA-N -1 1 289.143 3.408 20 0 CGADMM Cc1nc(SC[C@H]2C[C@H]3C=C[C@@H]2C3)[n-]c(=O)c1C ZINC001459016708 937478189 /nfs/dbraw/zinc/47/81/89/937478189.db2.gz NHFRQVHZZXVMTD-QJPTWQEYSA-N -1 1 262.378 3.103 20 0 CGADMM CCC[C@@H](CC)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229136619 932103679 /nfs/dbraw/zinc/10/36/79/932103679.db2.gz WWZIGYOXIDXUAK-LLVKDONJSA-N -1 1 262.305 3.456 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1CCc2cccnc21 ZINC001229474369 932157527 /nfs/dbraw/zinc/15/75/27/932157527.db2.gz CRKPMJOMPUGMIT-OAHLLOKOSA-N -1 1 283.327 3.446 20 0 CGADMM CC[C@]1(C)CCN(Cc2ncc(Br)cc2[O-])C1 ZINC001461921594 937606097 /nfs/dbraw/zinc/60/60/97/937606097.db2.gz UKUBLIFLZOFFCF-CYBMUJFWSA-N -1 1 299.212 3.172 20 0 CGADMM CC[C@H](COc1nc2c(cc(Cl)nc2Cl)[n-]1)OC ZINC001231049661 932665888 /nfs/dbraw/zinc/66/58/88/932665888.db2.gz MVTMMYRFOLLEAA-ZCFIWIBFSA-N -1 1 290.150 3.069 20 0 CGADMM CC[C@H](COc1nc2cc(Cl)nc(Cl)c2[n-]1)OC ZINC001231049661 932665891 /nfs/dbraw/zinc/66/58/91/932665891.db2.gz MVTMMYRFOLLEAA-ZCFIWIBFSA-N -1 1 290.150 3.069 20 0 CGADMM [O-]c1ccc(CN2CCCc3occc3C2)c(F)c1F ZINC001462290734 937630288 /nfs/dbraw/zinc/63/02/88/937630288.db2.gz CPNMWOUIVSOWRL-UHFFFAOYSA-N -1 1 279.286 3.212 20 0 CGADMM C[C@@H]1CCC[C@@H]1CC(=O)NCCc1c(F)cc([O-])cc1F ZINC001304012295 932839413 /nfs/dbraw/zinc/83/94/13/932839413.db2.gz KOYCJDAOVIUAMM-GHMZBOCLSA-N -1 1 297.345 3.155 20 0 CGADMM CCC(=CC(=O)NCCc1c(F)cc([O-])cc1F)CC ZINC001304012422 932839730 /nfs/dbraw/zinc/83/97/30/932839730.db2.gz NJSBCYXGUAHYOE-UHFFFAOYSA-N -1 1 283.318 3.076 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)C(C)(C)C)n1 ZINC001307251985 932933711 /nfs/dbraw/zinc/93/37/11/932933711.db2.gz BOTHCRVPVSFGQM-VIFPVBQESA-N -1 1 282.409 3.231 20 0 CGADMM C[C@@H](CC1CCC1)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001313237568 933437234 /nfs/dbraw/zinc/43/72/34/933437234.db2.gz ZRMRWQLOCQVGAR-JTQLQIEISA-N -1 1 296.798 3.424 20 0 CGADMM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001464133465 937686735 /nfs/dbraw/zinc/68/67/35/937686735.db2.gz AQJCRIDXFURZAR-AWEZNQCLSA-N -1 1 297.351 3.039 20 0 CGADMM CC[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c([O-])c1 ZINC001464761607 937695049 /nfs/dbraw/zinc/69/50/49/937695049.db2.gz SLEPSHCNUVQICX-CQSZACIVSA-N -1 1 287.334 3.282 20 0 CGADMM O=C(c1ccc([O-])cn1)N(Cc1ccco1)c1ccccc1 ZINC001464811220 937695880 /nfs/dbraw/zinc/69/58/80/937695880.db2.gz YMJLCHRUBSXVGL-UHFFFAOYSA-N -1 1 294.310 3.227 20 0 CGADMM O=C(NC[C@@H]1CCc2ccccc2C1)c1ccc(F)c([O-])c1 ZINC001466483692 937709450 /nfs/dbraw/zinc/70/94/50/937709450.db2.gz PMOWLWBURYGQOB-GFCCVEGCSA-N -1 1 299.345 3.066 20 0 CGADMM CC1(C)CCC[C@@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001469936903 937745787 /nfs/dbraw/zinc/74/57/87/937745787.db2.gz HDZFWZBRUFLMSY-GFCCVEGCSA-N -1 1 251.301 3.062 20 0 CGADMM CCc1cccc(CNC(=O)c2cc(F)ccc2[O-])c1 ZINC001469741612 937742819 /nfs/dbraw/zinc/74/28/19/937742819.db2.gz NZDAIRYIZKLZOV-UHFFFAOYSA-N -1 1 273.307 3.024 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001469928825 937745578 /nfs/dbraw/zinc/74/55/78/937745578.db2.gz MQIPSXLSHQDMBJ-MEDUHNTESA-N -1 1 289.281 3.355 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc3ccccc3c2[O-])O1 ZINC001470215102 937749347 /nfs/dbraw/zinc/74/93/47/937749347.db2.gz SGSGJRRMLJOPLF-TZMCWYRMSA-N -1 1 299.370 3.233 20 0 CGADMM C[C@H]1CN(C(=O)c2cccc([O-])c2F)Cc2ccccc21 ZINC001471717006 937768741 /nfs/dbraw/zinc/76/87/41/937768741.db2.gz YDSQIAPIVIEMSU-NSHDSACASA-N -1 1 285.318 3.291 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001324290855 934482253 /nfs/dbraw/zinc/48/22/53/934482253.db2.gz WXOOITIBEDQWAX-ZJUUUORDSA-N -1 1 271.307 3.162 20 0 CGADMM Cc1cc(CCC(=O)Nc2cc(F)c([O-])cc2Cl)no1 ZINC001472194058 937773573 /nfs/dbraw/zinc/77/35/73/937773573.db2.gz FMMKSMUWSWTCCV-UHFFFAOYSA-N -1 1 298.701 3.052 20 0 CGADMM Cc1ccc2c(ccc(C)c2C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001472569813 937777521 /nfs/dbraw/zinc/77/75/21/937777521.db2.gz JLCJHCOTJSJSSP-UHFFFAOYSA-N -1 1 281.315 3.138 20 0 CGADMM CCc1ccc2nc(-c3ccc(Cl)o3)[n-]c(=O)c2c1 ZINC001324717271 934556259 /nfs/dbraw/zinc/55/62/59/934556259.db2.gz YVKNGJVPPMKPFM-UHFFFAOYSA-N -1 1 274.707 3.399 20 0 CGADMM CCOc1cc(NCc2ccc([O-])c(Cl)c2)nc(C)n1 ZINC001472869476 937787169 /nfs/dbraw/zinc/78/71/69/937787169.db2.gz IUVVFHNYHCXFFL-UHFFFAOYSA-N -1 1 293.754 3.155 20 0 CGADMM CC(C)(C)CC[C@H](NCc1cc2cnccc2o1)C(=O)[O-] ZINC001326386943 934975847 /nfs/dbraw/zinc/97/58/47/934975847.db2.gz BIBPWGCGNQQYBI-ZDUSSCGKSA-N -1 1 290.363 3.197 20 0 CGADMM CC(C)[C@H](C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001326931676 935017066 /nfs/dbraw/zinc/01/70/66/935017066.db2.gz UFAVYYXDDWXUOX-QMMMGPOBSA-N -1 1 286.169 3.385 20 0 CGADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)c(F)c1 ZINC001336738548 936213018 /nfs/dbraw/zinc/21/30/18/936213018.db2.gz WKODRGGDHXQENC-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM CCOc1cc(C(=O)N[C@H](C)C2(C)CC2)cc(Cl)c1[O-] ZINC001337464678 936261106 /nfs/dbraw/zinc/26/11/06/936261106.db2.gz JKNQRZKTQYAGKK-SECBINFHSA-N -1 1 297.782 3.363 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1Cc1ccccc1)c1ccc([O-])cc1F ZINC001520984423 938029143 /nfs/dbraw/zinc/02/91/43/938029143.db2.gz PUSYQTHCTIJRQM-KGLIPLIRSA-N -1 1 299.345 3.140 20 0 CGADMM O=C(Nc1cccc(Cl)c1)c1ccc(F)c([O-])c1 ZINC001538813180 938120850 /nfs/dbraw/zinc/12/08/50/938120850.db2.gz ZXMHDEPOWRTGLE-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NC3CCCC3)c2)o1 ZINC001540310939 938129855 /nfs/dbraw/zinc/12/98/55/938129855.db2.gz JTUDXSUNPSXEHC-UHFFFAOYSA-N -1 1 299.326 3.137 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1)c1cccc([O-])c1F ZINC001540584017 938132292 /nfs/dbraw/zinc/13/22/92/938132292.db2.gz QIZJZAXRZHGWBS-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc([O-])cn1 ZINC001540800475 938133917 /nfs/dbraw/zinc/13/39/17/938133917.db2.gz SEIWLGHFJXFAMW-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM C[C@H](c1cccs1)N(C)C(=O)c1ccc(F)c([O-])c1 ZINC001541093937 938134593 /nfs/dbraw/zinc/13/45/93/938134593.db2.gz SNHAEQOWLVZXPQ-SECBINFHSA-N -1 1 279.336 3.426 20 0 CGADMM CC1(CNC(=O)c2ccc3ccc(O)cc3c2[O-])CCC1 ZINC001545172126 938148859 /nfs/dbraw/zinc/14/88/59/938148859.db2.gz PMKHKDAGIWJFNU-UHFFFAOYSA-N -1 1 285.343 3.171 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H]1C1CCCCC1 ZINC001551759345 938185880 /nfs/dbraw/zinc/18/58/80/938185880.db2.gz PBRWEVCHZBNVAR-CQSZACIVSA-N -1 1 277.339 3.326 20 0 CGADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])[C@@H]1CC1(C)C ZINC001557079160 938207681 /nfs/dbraw/zinc/20/76/81/938207681.db2.gz QJCQXEDGJJKTJA-RYUDHWBXSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(CSc1ccccc1)Nc1cc(F)cc(F)c1[O-] ZINC001557086279 938207695 /nfs/dbraw/zinc/20/76/95/938207695.db2.gz NDGINMJCWJKTMX-UHFFFAOYSA-N -1 1 295.310 3.401 20 0 CGADMM COc1csc(C(=O)NCc2ccc([O-])c(Cl)c2)c1 ZINC001558208713 938214072 /nfs/dbraw/zinc/21/40/72/938214072.db2.gz IITGHAHUQLTCOZ-UHFFFAOYSA-N -1 1 297.763 3.046 20 0 CGADMM C[C@@H](CNC(=O)c1ncc2ccccc2c1[O-])C(C)(C)C ZINC001558393736 938215228 /nfs/dbraw/zinc/21/52/28/938215228.db2.gz YPYZZCVIZHEWCC-NSHDSACASA-N -1 1 286.375 3.352 20 0 CGADMM O=C([O-])c1ccc(CN2CC[C@](F)(c3ccccc3)C2)cc1 ZINC001595227549 949322829 /nfs/dbraw/zinc/32/28/29/949322829.db2.gz WMYDPFCQRIWGNF-GOSISDBHSA-N -1 1 299.345 3.456 20 0 CGADMM Cc1cccc([C@@H](NCc2ccccc2F)C(=O)[O-])c1 ZINC000212106627 949535776 /nfs/dbraw/zinc/53/57/76/949535776.db2.gz YKLSKSUXBHWXOL-OAHLLOKOSA-N -1 1 273.307 3.050 20 0 CGADMM CCOc1ccc2nc(SC/C(C)=C/C(=O)[O-])[nH]c2c1 ZINC000111457164 958431870 /nfs/dbraw/zinc/43/18/70/958431870.db2.gz XMBRSKFVAUEMCE-RMKNXTFCSA-N -1 1 292.360 3.085 20 0 CGADMM O=C([O-])[C@H](NCc1cccc(F)c1Cl)c1ccccc1 ZINC000122800125 958489015 /nfs/dbraw/zinc/48/90/15/958489015.db2.gz FDPBTEJYVLUSFS-CQSZACIVSA-N -1 1 293.725 3.395 20 0 CGADMM CSc1ccc(CN[C@H](CCC(C)(C)C)C(=O)[O-])o1 ZINC001594195221 959191511 /nfs/dbraw/zinc/19/15/11/959191511.db2.gz SCNQXHYIECAFEX-LLVKDONJSA-N -1 1 285.409 3.371 20 0 CGADMM C[C@@H](N[C@@H](C)c1cccs1)c1ccc(C(=O)[O-])o1 ZINC000235217327 960398644 /nfs/dbraw/zinc/39/86/44/960398644.db2.gz BYNCGSAJYXFJKB-BDAKNGLRSA-N -1 1 265.334 3.451 20 0 CGADMM CC[C@H](NC(=O)c1cccc([O-])c1F)c1nc(C)cs1 ZINC001565668583 960803688 /nfs/dbraw/zinc/80/36/88/960803688.db2.gz MNBWNTDVQQDXNR-JTQLQIEISA-N -1 1 294.351 3.177 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 ZINC001565785445 960823006 /nfs/dbraw/zinc/82/30/06/960823006.db2.gz ILFVTEYOYPPGKO-AAEUAGOBSA-N -1 1 289.375 3.164 20 0 CGADMM O=C(NC1(c2cccc(F)c2)CC1)c1ccc(F)c([O-])c1 ZINC001565846698 960848291 /nfs/dbraw/zinc/84/82/91/960848291.db2.gz GRIJRXMPXQWPSU-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM Cc1ccccc1[C@H](C)C(=O)[N-]OC1CCCCC1 ZINC001567889429 961450831 /nfs/dbraw/zinc/45/08/31/961450831.db2.gz BWJZFCXMWAEASE-ZDUSSCGKSA-N -1 1 261.365 3.479 20 0 CGADMM CC[C@@H](C)n1ncc(NC(=O)c2cccc([O-])c2F)c1C ZINC001568579298 961611214 /nfs/dbraw/zinc/61/12/14/961611214.db2.gz XNSKJVYYIXYVMY-SECBINFHSA-N -1 1 291.326 3.260 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NC2[C@H](C)CCC[C@H]2C)c1 ZINC001568845893 961650717 /nfs/dbraw/zinc/65/07/17/961650717.db2.gz URRRZTNSNXMYPL-VXGBXAGGSA-N -1 1 289.375 3.068 20 0 CGADMM COc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)cc1F ZINC001569010760 961663804 /nfs/dbraw/zinc/66/38/04/961663804.db2.gz MLHNIDOPDRFIIN-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccnc(C2CC2)c1 ZINC001570101193 961906008 /nfs/dbraw/zinc/90/60/08/961906008.db2.gz CTLKVWBPOBDVTJ-UHFFFAOYSA-N -1 1 290.269 3.195 20 0 CGADMM Cc1cccc(CC(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001570464559 961971989 /nfs/dbraw/zinc/97/19/89/961971989.db2.gz HRFZWIUBXPPONN-UHFFFAOYSA-N -1 1 277.270 3.160 20 0 CGADMM CC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC001570476833 961974078 /nfs/dbraw/zinc/97/40/78/961974078.db2.gz AUXAYIRZULDWOA-GFCCVEGCSA-N -1 1 290.750 3.322 20 0 CGADMM Cc1cccc([C@H](NCc2cc(F)ccc2F)C(=O)[O-])c1 ZINC001574394817 962306514 /nfs/dbraw/zinc/30/65/14/962306514.db2.gz FGJKCHFJVZYJSS-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2cccs2)[nH]1 ZINC001574966188 962338314 /nfs/dbraw/zinc/33/83/14/962338314.db2.gz LXHWTDLIRMAOMI-GFCCVEGCSA-N -1 1 276.361 3.112 20 0 CGADMM CC(=O)c1cc(F)c([N-]C(=O)c2nc(C)oc2C)c(F)c1 ZINC001583931649 962868251 /nfs/dbraw/zinc/86/82/51/962868251.db2.gz QCXWMMFWPXVKIP-UHFFFAOYSA-N -1 1 294.257 3.025 20 0 CGADMM O=C(Cc1ccc2cnccc2c1)Nc1c([O-])cccc1F ZINC001583972244 962872829 /nfs/dbraw/zinc/87/28/29/962872829.db2.gz VFWDAMBKKRIPCM-UHFFFAOYSA-N -1 1 296.301 3.261 20 0 CGADMM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1ccc([O-])cn1 ZINC001584735558 962950261 /nfs/dbraw/zinc/95/02/61/962950261.db2.gz AGAKKIHSZNQTBQ-GXTWGEPZSA-N -1 1 276.380 3.122 20 0 CGADMM CC1(C)CCC[C@H]1CCNC(=O)c1cccc([O-])c1F ZINC001585390946 963009784 /nfs/dbraw/zinc/00/97/84/963009784.db2.gz BTOCURXAJOMNTK-NSHDSACASA-N -1 1 279.355 3.478 20 0 CGADMM CC[C@H](NC(=O)c1ncccc1[O-])c1ccc(Cl)cc1 ZINC001587777278 963219324 /nfs/dbraw/zinc/21/93/24/963219324.db2.gz ZGSGLKQUONQMJX-LBPRGKRZSA-N -1 1 290.750 3.322 20 0 CGADMM C[C@H](N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccns1 ZINC001589124260 963341709 /nfs/dbraw/zinc/34/17/09/963341709.db2.gz VFSTWJKEQAOKQF-BIMULSAOSA-N -1 1 288.372 3.107 20 0 CGADMM CC(C)C(C)(C)CSc1ccnc(-c2nnn[n-]2)c1 ZINC001589425265 963991026 /nfs/dbraw/zinc/99/10/26/963991026.db2.gz ILNXEDNTQAAQTR-UHFFFAOYSA-N -1 1 277.397 3.036 20 0 CGADMM CC(C)C(C)(C)CSc1ccnc(-c2nn[n-]n2)c1 ZINC001589425265 963991037 /nfs/dbraw/zinc/99/10/37/963991037.db2.gz ILNXEDNTQAAQTR-UHFFFAOYSA-N -1 1 277.397 3.036 20 0 CGADMM CC1(c2ccccc2)CN(Cc2ccc(C(=O)[O-])s2)C1 ZINC001603348481 972768745 /nfs/dbraw/zinc/76/87/45/972768745.db2.gz ZAGDXBHSTGRTMB-UHFFFAOYSA-N -1 1 287.384 3.220 20 0 CGADMM CCC(CC)(NCc1cnc(-c2ccccc2)o1)C(=O)[O-] ZINC001595101407 979406896 /nfs/dbraw/zinc/40/68/96/979406896.db2.gz JUKZDRXTKCPPLY-UHFFFAOYSA-N -1 1 288.347 3.075 20 0 CGADMM CC[C@H](c1ccncc1)N(C)Cc1cc(C(=O)[O-])oc1C ZINC001595364302 980792345 /nfs/dbraw/zinc/79/23/45/980792345.db2.gz SKZAYJHGXNUGCN-CQSZACIVSA-N -1 1 288.347 3.264 20 0 CGADMM CC[C@H](c1ccncc1)N(C)Cc1csc(C(=O)[O-])c1 ZINC001595364261 980792353 /nfs/dbraw/zinc/79/23/53/980792353.db2.gz RAPKLLQEJOUEKO-CYBMUJFWSA-N -1 1 290.388 3.424 20 0 CGADMM Cc1[nH]c(CN(C)[C@@H](C)c2cccs2)cc1C(=O)[O-] ZINC001599962191 985805227 /nfs/dbraw/zinc/80/52/27/985805227.db2.gz MMWVJLKEDWHIDA-JTQLQIEISA-N -1 1 278.377 3.276 20 0 CGADMM CCc1ccc(C)nc1N[C@@H]1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC001597514362 988119875 /nfs/dbraw/zinc/11/98/75/988119875.db2.gz LWJMWUHUTCPTHH-IACUBPJLSA-N -1 1 276.380 3.254 20 0 CGADMM CCc1ccc2c(c1)CCN(Cc1ccoc1C(=O)[O-])C2 ZINC001597568829 988329492 /nfs/dbraw/zinc/32/94/92/988329492.db2.gz JEBCDPHZYBMAAD-UHFFFAOYSA-N -1 1 285.343 3.099 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN1CCc2ccc(C)cc2C1 ZINC001597766161 989208485 /nfs/dbraw/zinc/20/84/85/989208485.db2.gz FGSAMMHNUQPWRE-UHFFFAOYSA-N -1 1 299.370 3.407 20 0 CGADMM C[C@@H](N[C@@H](C)c1ccsc1)c1cc(C(=O)[O-])co1 ZINC001593199675 994179871 /nfs/dbraw/zinc/17/98/71/994179871.db2.gz YHSWEXBDWIMIKM-DTWKUNHWSA-N -1 1 265.334 3.451 20 0 CGADMM C[C@@H](N[C@H]1C=CCCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593210612 994251254 /nfs/dbraw/zinc/25/12/54/994251254.db2.gz QMOABVNEMMJFJF-MNOVXSKESA-N -1 1 280.393 3.381 20 0 CGADMM COc1ccc([C@H](C)N[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001599510648 997292028 /nfs/dbraw/zinc/29/20/28/997292028.db2.gz SMCVURNWVIALBF-QWRGUYRKSA-N -1 1 289.331 3.398 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000621206725 349469872 /nfs/dbraw/zinc/46/98/72/349469872.db2.gz ZELUIVNBOQNDIP-FZMZJTMJSA-N -1 1 277.339 3.326 20 0 CGADMM CCc1ccc(CNCc2ccc(C(=O)[O-])c(CC)n2)cc1 ZINC000426636407 529653831 /nfs/dbraw/zinc/65/38/31/529653831.db2.gz FVKOMUCHIIORIK-UHFFFAOYSA-N -1 1 298.386 3.194 20 0 CGADMM Cc1coc(C)c1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000351298186 219089717 /nfs/dbraw/zinc/08/97/17/219089717.db2.gz HVBUSWCYBCBAOK-UHFFFAOYSA-N -1 1 297.314 3.244 20 0 CGADMM CCCCc1nnc([N-]C(=O)c2sccc2F)s1 ZINC000339075873 214937170 /nfs/dbraw/zinc/93/71/70/214937170.db2.gz MQHCRWDNHQZIOX-UHFFFAOYSA-N -1 1 285.369 3.334 20 0 CGADMM CCOCc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000075547387 345512986 /nfs/dbraw/zinc/51/29/86/345512986.db2.gz DORVVXGRLQBOKZ-UHFFFAOYSA-N -1 1 271.316 3.181 20 0 CGADMM CC(C)[C@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000094155229 345896845 /nfs/dbraw/zinc/89/68/45/345896845.db2.gz WMEYUHWLVRDMNO-CYBMUJFWSA-N -1 1 265.328 3.182 20 0 CGADMM CC(C)c1cc(CNC(=O)c2ccc(Cl)cc2[O-])on1 ZINC000114308624 345963822 /nfs/dbraw/zinc/96/38/22/345963822.db2.gz NECTUYKSNFEEDJ-UHFFFAOYSA-N -1 1 294.738 3.087 20 0 CGADMM O=C([O-])C[C@H]1CCCN(Cc2cc(F)ccc2Cl)C1 ZINC000124457462 346012652 /nfs/dbraw/zinc/01/26/52/346012652.db2.gz UPWAICKOYGJRHP-SNVBAGLBSA-N -1 1 285.746 3.166 20 0 CGADMM [O-]c1ccc(-c2nc(CC3CC(F)(F)C3)no2)c(F)c1 ZINC000351167477 346530921 /nfs/dbraw/zinc/53/09/21/346530921.db2.gz MPBAHOSWAXVQMR-UHFFFAOYSA-N -1 1 284.237 3.169 20 0 CGADMM Cc1cccc(CC(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1 ZINC000588696781 346766606 /nfs/dbraw/zinc/76/66/06/346766606.db2.gz JQCWIMODJYGSRG-UHFFFAOYSA-N -1 1 297.383 3.050 20 0 CGADMM CCc1ccccc1OCC(=O)Nc1c([O-])cccc1F ZINC000605440358 348156032 /nfs/dbraw/zinc/15/60/32/348156032.db2.gz QEEXNDHQWYPVQJ-UHFFFAOYSA-N -1 1 289.306 3.111 20 0 CGADMM Cc1ccc(CC(=O)Nc2c([O-])cccc2F)cc1C ZINC000608366350 348301125 /nfs/dbraw/zinc/30/11/25/348301125.db2.gz SLAYTFCKCQBVCR-UHFFFAOYSA-N -1 1 273.307 3.329 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC(c2ccco2)CC1 ZINC000617384027 348954855 /nfs/dbraw/zinc/95/48/55/348954855.db2.gz YHOIWYSZSSNYOL-UHFFFAOYSA-N -1 1 289.306 3.144 20 0 CGADMM CN(C(=O)c1cncc([O-])c1)C1CC(C)(C)CC(C)(C)C1 ZINC000618071252 349046540 /nfs/dbraw/zinc/04/65/40/349046540.db2.gz RKNCEYDWLNPTBU-UHFFFAOYSA-N -1 1 290.407 3.464 20 0 CGADMM CC[C@](C)(NC(=O)c1cc(Cl)c([O-])c(OC)c1)C1CC1 ZINC000618956383 349183601 /nfs/dbraw/zinc/18/36/01/349183601.db2.gz ZPMTVQQJLLGHPC-HNNXBMFYSA-N -1 1 297.782 3.363 20 0 CGADMM Cc1occc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000618832562 349159082 /nfs/dbraw/zinc/15/90/82/349159082.db2.gz GTUBYBPXPPLQIP-UHFFFAOYSA-N -1 1 281.311 3.377 20 0 CGADMM C[C@H](CC(=O)Nc1c([O-])cccc1F)C(F)(F)F ZINC000626277276 350291070 /nfs/dbraw/zinc/29/10/70/350291070.db2.gz MGZJYOXOYNGZRJ-ZCFIWIBFSA-N -1 1 265.206 3.058 20 0 CGADMM O=C(NCC1CC=CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000628542467 350572284 /nfs/dbraw/zinc/57/22/84/350572284.db2.gz JYEOIGKPCVNSJY-UHFFFAOYSA-N -1 1 285.265 3.107 20 0 CGADMM CCC1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCCC1 ZINC000629376033 350683261 /nfs/dbraw/zinc/68/32/61/350683261.db2.gz PMVKSSCAKRRWEM-UHFFFAOYSA-N -1 1 299.374 3.487 20 0 CGADMM O=C([O-])CC[C@H]1CCCN(Cc2cc(O)ccc2Cl)C1 ZINC000629488101 350696378 /nfs/dbraw/zinc/69/63/78/350696378.db2.gz GOBQVDAILCHUGE-LLVKDONJSA-N -1 1 297.782 3.122 20 0 CGADMM O=C([O-])CC[C@@H]1CCCN(Cc2cc(O)ccc2Cl)C1 ZINC000629488102 350696549 /nfs/dbraw/zinc/69/65/49/350696549.db2.gz GOBQVDAILCHUGE-NSHDSACASA-N -1 1 297.782 3.122 20 0 CGADMM C[C@H]1CCCN(C(=O)N=c2[n-]sc3ccccc32)CC1 ZINC000630348258 350827056 /nfs/dbraw/zinc/82/70/56/350827056.db2.gz NIPGULHYVFEAKA-NSHDSACASA-N -1 1 289.404 3.372 20 0 CGADMM CCCCC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000631010183 350922895 /nfs/dbraw/zinc/92/28/95/350922895.db2.gz KKOWIZSSMJOIEX-UHFFFAOYSA-N -1 1 294.298 3.052 20 0 CGADMM CCc1nocc1CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023429 350926549 /nfs/dbraw/zinc/92/65/49/350926549.db2.gz QUXJZZHMUUAUIC-UHFFFAOYSA-N -1 1 291.376 3.211 20 0 CGADMM Cc1nc(S[C@H]2C[C@@H](C)O[C@@H](C)C2)[n-]c(=O)c1C1CC1 ZINC000631023335 350926564 /nfs/dbraw/zinc/92/65/64/350926564.db2.gz MYAMPXXHCXFMFR-GDGBQDQQSA-N -1 1 294.420 3.416 20 0 CGADMM CC(=O)[C@@H](C)CCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023377 350926697 /nfs/dbraw/zinc/92/66/97/350926697.db2.gz OYEPYBOXJAMOQI-QMMMGPOBSA-N -1 1 280.393 3.075 20 0 CGADMM Cc1ccnc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)c1 ZINC000631023050 350927098 /nfs/dbraw/zinc/92/70/98/350927098.db2.gz FZLFQGDYPLISQX-UHFFFAOYSA-N -1 1 287.388 3.364 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000630693942 350871610 /nfs/dbraw/zinc/87/16/10/350871610.db2.gz ASHZDIMILTUIHN-ZYHUDNBSSA-N -1 1 281.783 3.283 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000631162275 350974299 /nfs/dbraw/zinc/97/42/99/350974299.db2.gz UVEZOFHMIZKRIP-UMSPYCQHSA-N -1 1 281.783 3.283 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CC12CCCC2 ZINC000632759785 351213265 /nfs/dbraw/zinc/21/32/65/351213265.db2.gz JXYGLWQGUNXRSH-ZDUSSCGKSA-N -1 1 279.767 3.037 20 0 CGADMM C[C@H]1CC2(CCC2)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632764569 351213788 /nfs/dbraw/zinc/21/37/88/351213788.db2.gz UBDPPKSELQYKEW-NSHDSACASA-N -1 1 293.794 3.379 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3cccc(Br)c3)c(=O)c21 ZINC000634585604 351525513 /nfs/dbraw/zinc/52/55/13/351525513.db2.gz LJFKZFHGNHSLLP-QPUJVOFHSA-N -1 1 293.164 3.198 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccccc3Br)c(=O)c21 ZINC000634588315 351526418 /nfs/dbraw/zinc/52/64/18/351526418.db2.gz PBWFYOBMAVBXPD-QPUJVOFHSA-N -1 1 293.164 3.198 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3ccc(F)c(F)c3)c(=O)c2C1 ZINC000634590782 351527655 /nfs/dbraw/zinc/52/76/55/351527655.db2.gz JTWMGSSRSLURLJ-KOLCDFICSA-N -1 1 278.302 3.099 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccc(F)c(F)c2F)c1=O ZINC000634594872 351530752 /nfs/dbraw/zinc/53/07/52/351530752.db2.gz JKTHQAZOLHGJTE-QMMMGPOBSA-N -1 1 270.254 3.243 20 0 CGADMM Cc1[n-]n(-c2nccc3sccc32)c(=O)c1C1CC1 ZINC000634596471 351533090 /nfs/dbraw/zinc/53/30/90/351533090.db2.gz HMJGONIFBABAQZ-GFCCVEGCSA-N -1 1 271.345 3.045 20 0 CGADMM CCc1[n-]n(-c2nc3cccnc3s2)c(=O)c1C(C)C ZINC000634607541 351540232 /nfs/dbraw/zinc/54/02/32/351540232.db2.gz ARQPMAUMFIUBPD-NSHDSACASA-N -1 1 288.376 3.076 20 0 CGADMM CCCc1c(C)[n-]n(-c2cccc(F)c2F)c1=O ZINC000634613903 351543146 /nfs/dbraw/zinc/54/31/46/351543146.db2.gz LOTRTQHDGNNPPF-VIFPVBQESA-N -1 1 252.264 3.104 20 0 CGADMM CC(C)(C)c1nc(CN2C3CCC2(C(=O)[O-])CC3)cs1 ZINC000634696753 351576007 /nfs/dbraw/zinc/57/60/07/351576007.db2.gz LOBYKYGRFUDHIR-UHFFFAOYSA-N -1 1 294.420 3.022 20 0 CGADMM CN(C(=O)c1cc(F)ccc1[O-])C1CCC(F)(F)CC1 ZINC000291767986 198086309 /nfs/dbraw/zinc/08/63/09/198086309.db2.gz SIVYGNNBSOPQTG-UHFFFAOYSA-N -1 1 287.281 3.181 20 0 CGADMM CC1(C)CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000122918827 187059345 /nfs/dbraw/zinc/05/93/45/187059345.db2.gz AAVLSZNUASGCRH-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM COC1(C)CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000271790138 191327896 /nfs/dbraw/zinc/32/78/96/191327896.db2.gz URMWXWCBFPVJFU-UHFFFAOYSA-N -1 1 299.370 3.187 20 0 CGADMM C[C@@H]1C[C@@H](CNC(=O)c2cc3ccccc3cc2[O-])[C@@H](C)O1 ZINC000412643932 235196949 /nfs/dbraw/zinc/19/69/49/235196949.db2.gz QAQGIMKHWAILIX-JMSVASOKSA-N -1 1 299.370 3.089 20 0 CGADMM CCC(CC)N(CC(C)C)C(=O)c1cncc([O-])c1 ZINC000093325915 138345030 /nfs/dbraw/zinc/34/50/30/138345030.db2.gz DVEMFSIOVOAQBG-UHFFFAOYSA-N -1 1 264.369 3.074 20 0 CGADMM CC(C)=CCC[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000480697152 535357318 /nfs/dbraw/zinc/35/73/18/535357318.db2.gz YKHYTRRUUJELBW-UHFFFAOYSA-N -1 1 291.775 3.114 20 0 CGADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cc(F)ccc2C)o1 ZINC000426793250 236314623 /nfs/dbraw/zinc/31/46/23/236314623.db2.gz MPHSUANSHDNUGR-CQSZACIVSA-N -1 1 291.322 3.341 20 0 CGADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(F)c(C)c2)o1 ZINC000426785917 236314970 /nfs/dbraw/zinc/31/49/70/236314970.db2.gz ZSIXNERTLYVWIU-CQSZACIVSA-N -1 1 291.322 3.341 20 0 CGADMM Cc1ccc(C[C@H](C)N(C)C(=O)c2ncc(C)cc2[O-])cc1 ZINC000427452014 236331828 /nfs/dbraw/zinc/33/18/28/236331828.db2.gz YCRCBXAYPUOSIX-AWEZNQCLSA-N -1 1 298.386 3.107 20 0 CGADMM O=c1cc(C2CC2)nc(SCCCc2ccncc2)[n-]1 ZINC000436250138 237055001 /nfs/dbraw/zinc/05/50/01/237055001.db2.gz BWLRTKJNQKNAHG-UHFFFAOYSA-N -1 1 287.388 3.180 20 0 CGADMM O=C(Nc1ccc2ccoc2c1)c1ccccc1[O-] ZINC000436784922 237182811 /nfs/dbraw/zinc/18/28/11/237182811.db2.gz SHYMTLMGHGVMLO-UHFFFAOYSA-N -1 1 253.257 3.391 20 0 CGADMM O=C(N[C@H]1CC[C@@H](F)C1)c1cc2ccccc2cc1[O-] ZINC000436742901 237172254 /nfs/dbraw/zinc/17/22/54/237172254.db2.gz GDXAREFLFZCHPZ-OLZOCXBDSA-N -1 1 273.307 3.166 20 0 CGADMM C[C@@H]1CC[C@@H](N(C)C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436854334 237197157 /nfs/dbraw/zinc/19/71/57/237197157.db2.gz RXIDAGVIMHWKOG-MWLCHTKSSA-N -1 1 267.756 3.306 20 0 CGADMM Cc1cccc(C)c1[C@@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436889246 237202553 /nfs/dbraw/zinc/20/25/53/237202553.db2.gz QPZGVZMHNIBOEC-CYBMUJFWSA-N -1 1 297.354 3.069 20 0 CGADMM Cc1ccc(NC(=O)c2c(F)ccc([O-])c2F)c(F)c1 ZINC000335911098 212692872 /nfs/dbraw/zinc/69/28/72/212692872.db2.gz XWPGCPHTEBQTJK-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CCOc1cc(C(=O)N2C[C@H](C)C[C@H]2C)cc(Cl)c1[O-] ZINC000335815095 212565778 /nfs/dbraw/zinc/56/57/78/212565778.db2.gz TZZPIIFHTXZNDS-NXEZZACHSA-N -1 1 297.782 3.315 20 0 CGADMM C[C@H]1c2ccccc2CN1C(=O)c1c(F)ccc([O-])c1F ZINC000348853828 291320063 /nfs/dbraw/zinc/32/00/63/291320063.db2.gz SGLWDVLZKOUMQR-VIFPVBQESA-N -1 1 289.281 3.387 20 0 CGADMM CCc1cc(=O)[nH]c(CN2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000120982017 370819776 /nfs/dbraw/zinc/81/97/76/370819776.db2.gz QSUZICLYUOPDNF-KRWDZBQOSA-N -1 1 287.407 3.067 20 0 CGADMM C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335514243 212200597 /nfs/dbraw/zinc/20/05/97/212200597.db2.gz MDIDWSGPKQEIRW-BDAKNGLRSA-N -1 1 269.291 3.435 20 0 CGADMM Cc1cccc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c21 ZINC000034017772 368971145 /nfs/dbraw/zinc/97/11/45/368971145.db2.gz JEWNCLFMXLNQIP-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CC(C)Oc1ccccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000040731287 369161854 /nfs/dbraw/zinc/16/18/54/369161854.db2.gz IWYDETOKJZIQPU-UHFFFAOYSA-N -1 1 299.370 3.462 20 0 CGADMM O=C([O-])C[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl ZINC000042163703 369202559 /nfs/dbraw/zinc/20/25/59/369202559.db2.gz VJRABCLPKYZXIQ-NSHDSACASA-N -1 1 288.174 3.433 20 0 CGADMM CC(C)(C)C=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000493592522 244195993 /nfs/dbraw/zinc/19/59/93/244195993.db2.gz XNANGAQIYXMLGB-HJWRWDBZSA-N -1 1 285.347 3.323 20 0 CGADMM CCCCN(CCCC)C(=O)c1ncc(C)cc1[O-] ZINC000495019364 244346939 /nfs/dbraw/zinc/34/69/39/244346939.db2.gz QINBHPCGAXKYRI-UHFFFAOYSA-N -1 1 264.369 3.138 20 0 CGADMM O=c1nc(CN2CCC[C@H]3CCC[C@@H]32)[n-]c2ccsc21 ZINC000072693525 369834600 /nfs/dbraw/zinc/83/46/00/369834600.db2.gz DTHNDFGBVCXROX-PWSUYJOCSA-N -1 1 289.404 3.161 20 0 CGADMM CCc1ccc(CN(C(=O)c2cncc([O-])c2)C2CC2)cc1 ZINC000109042401 370359782 /nfs/dbraw/zinc/35/97/82/370359782.db2.gz FGWMVMDEBAWKIO-UHFFFAOYSA-N -1 1 296.370 3.154 20 0 CGADMM COCCC1(CNC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000129770474 371001259 /nfs/dbraw/zinc/00/12/59/371001259.db2.gz AGVJJHKXOUIYOM-UHFFFAOYSA-N -1 1 299.370 3.092 20 0 CGADMM CC(C)(NC(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000220052227 376205984 /nfs/dbraw/zinc/20/59/84/376205984.db2.gz VUZGFBKFLHXWSX-UHFFFAOYSA-N -1 1 298.180 3.073 20 0 CGADMM Cc1cnc([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])s1 ZINC000134945942 371378508 /nfs/dbraw/zinc/37/85/08/371378508.db2.gz AKHIBTGCTVZMPM-QMMMGPOBSA-N -1 1 296.779 3.302 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421904743 371705152 /nfs/dbraw/zinc/70/51/52/371705152.db2.gz ZLBLJSQDJPYGOO-IWSPIJDZSA-N -1 1 267.275 3.045 20 0 CGADMM O=C([O-])CCCCCNc1nc(C2CCCCC2)ns1 ZINC000422559357 371750077 /nfs/dbraw/zinc/75/00/77/371750077.db2.gz RVBDEWBXNRPBKL-UHFFFAOYSA-N -1 1 297.424 3.065 20 0 CGADMM CCC1(C)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000291155607 372129189 /nfs/dbraw/zinc/12/91/89/372129189.db2.gz ZGXOWKZKULSFJC-UHFFFAOYSA-N -1 1 269.344 3.418 20 0 CGADMM COC[C@H](NCc1cccc([O-])c1Cl)c1ccco1 ZINC000293487738 372393156 /nfs/dbraw/zinc/39/31/56/372393156.db2.gz GJDQVCVSFRECJF-NSHDSACASA-N -1 1 281.739 3.116 20 0 CGADMM [O-]c1cccc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c1Cl ZINC000293908945 372522066 /nfs/dbraw/zinc/52/20/66/372522066.db2.gz FVRIVTMCQQJJKJ-HZPDHXFCSA-N -1 1 293.794 3.189 20 0 CGADMM O=C([O-])C[C@H]1CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000165666467 372555932 /nfs/dbraw/zinc/55/59/32/372555932.db2.gz ZNXGCQDBUQKCDE-SNVBAGLBSA-N -1 1 285.746 3.166 20 0 CGADMM O=C([O-])[C@H](NCc1cccc(Cl)c1F)c1ccccc1 ZINC000166740952 372580474 /nfs/dbraw/zinc/58/04/74/372580474.db2.gz OOSSKZIYCPUTKH-CQSZACIVSA-N -1 1 293.725 3.395 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@@H]2CCCCC2(F)F)n1 ZINC000295452727 372788576 /nfs/dbraw/zinc/78/85/76/372788576.db2.gz WOOABKLKNBMSRI-QMMMGPOBSA-N -1 1 290.335 3.114 20 0 CGADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ncccc2F)c1 ZINC000180265665 373985485 /nfs/dbraw/zinc/98/54/85/373985485.db2.gz UZTJICMEKZPFLN-UHFFFAOYSA-N -1 1 294.351 3.145 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)[C@H]1c1ccccc1 ZINC000181244425 374099188 /nfs/dbraw/zinc/09/91/88/374099188.db2.gz HHLYVMHNVQQVSP-BDJLRTHQSA-N -1 1 285.318 3.365 20 0 CGADMM CCN(C(=O)c1ccc([O-])cc1F)c1ccc(F)cc1 ZINC000181861856 374183595 /nfs/dbraw/zinc/18/35/95/374183595.db2.gz FWUOFAYABNKOHK-UHFFFAOYSA-N -1 1 277.270 3.337 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000345268133 217474162 /nfs/dbraw/zinc/47/41/62/217474162.db2.gz OLWXSLDAVGGZSR-PWSUYJOCSA-N -1 1 285.347 3.157 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc([O-])cc2F)c2ccccc21 ZINC000181884824 374185027 /nfs/dbraw/zinc/18/50/27/374185027.db2.gz WAEACPLOIDKSDP-JTQLQIEISA-N -1 1 271.291 3.295 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])[C@H]1C(C)C ZINC000456350007 374523686 /nfs/dbraw/zinc/52/36/86/374523686.db2.gz SYKDPKJLUCEAJG-ZFWWWQNUSA-N -1 1 279.355 3.284 20 0 CGADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(C(F)(F)F)CC1 ZINC000091782794 541970132 /nfs/dbraw/zinc/97/01/32/541970132.db2.gz JOMGFJROGVYBJO-MRVPVSSYSA-N -1 1 291.269 3.313 20 0 CGADMM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000456776678 374620346 /nfs/dbraw/zinc/62/03/46/374620346.db2.gz DXIIKGAGMFVXPO-UWVGGRQHSA-N -1 1 299.317 3.204 20 0 CGADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000456776679 374620405 /nfs/dbraw/zinc/62/04/05/374620405.db2.gz DXIIKGAGMFVXPO-VHSXEESVSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(F)c1F ZINC000334377487 374696351 /nfs/dbraw/zinc/69/63/51/374696351.db2.gz WRLFXPRVIZAXIZ-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM COc1cc(C(=O)Nc2cccc(F)c2)cc(Cl)c1[O-] ZINC000334451507 374762806 /nfs/dbraw/zinc/76/28/06/374762806.db2.gz WDBAPZWWVVLZPI-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM COc1ccc(F)c(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000334436174 374750451 /nfs/dbraw/zinc/75/04/51/374750451.db2.gz ZVUWPGMJJPXARA-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC2(C1)CCCC2 ZINC000334420051 374736113 /nfs/dbraw/zinc/73/61/13/374736113.db2.gz QFZSSVCBCMNSLQ-UHFFFAOYSA-N -1 1 265.740 3.062 20 0 CGADMM CC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])o1 ZINC000334581783 374881639 /nfs/dbraw/zinc/88/16/39/374881639.db2.gz CPDOOCPOHKPPNU-UHFFFAOYSA-N -1 1 279.679 3.094 20 0 CGADMM C[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)[C@@H]1C(=O)[O-] ZINC000334648123 374940510 /nfs/dbraw/zinc/94/05/10/374940510.db2.gz QJGCAGWBYNDPBG-NHYWBVRUSA-N -1 1 273.332 3.118 20 0 CGADMM C[C@@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335016892 375072554 /nfs/dbraw/zinc/07/25/54/375072554.db2.gz CHZFDPXAAYCWQL-BDAKNGLRSA-N -1 1 269.291 3.435 20 0 CGADMM CCOc1cc(C(=O)N2CCC23CCC3)cc(Cl)c1[O-] ZINC000334982581 375049603 /nfs/dbraw/zinc/04/96/03/375049603.db2.gz XVROGJLBZOZDIT-UHFFFAOYSA-N -1 1 295.766 3.213 20 0 CGADMM COc1cc(C(=O)N[C@]2(C)CC=CCC2)cc(Cl)c1[O-] ZINC000335145132 375171937 /nfs/dbraw/zinc/17/19/37/375171937.db2.gz AJCFNWVRRAABBQ-OAHLLOKOSA-N -1 1 295.766 3.283 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C[C@H]1C(=O)[O-] ZINC000335423444 375282309 /nfs/dbraw/zinc/28/23/09/375282309.db2.gz KAFGPLNHOJHYEQ-MWLCHTKSSA-N -1 1 285.746 3.022 20 0 CGADMM Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1Cl ZINC000335439785 375293521 /nfs/dbraw/zinc/29/35/21/375293521.db2.gz AMQOUSVUMRVZPJ-GWCFXTLKSA-N -1 1 281.783 3.191 20 0 CGADMM Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1Cl ZINC000335439786 375294206 /nfs/dbraw/zinc/29/42/06/375294206.db2.gz AMQOUSVUMRVZPJ-GXFFZTMASA-N -1 1 281.783 3.191 20 0 CGADMM C[C@H]1CCN(Cc2cc(Cl)ccc2F)C[C@@H]1C(=O)[O-] ZINC000335445638 375299616 /nfs/dbraw/zinc/29/96/16/375299616.db2.gz YBRIEIGFLSGILE-CABZTGNLSA-N -1 1 285.746 3.022 20 0 CGADMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000097904192 541994708 /nfs/dbraw/zinc/99/47/08/541994708.db2.gz FPQRCRUGXHAOFE-GFCCVEGCSA-N -1 1 297.345 3.288 20 0 CGADMM CCc1c(C)[n-]n(-c2cccc(Br)c2)c1=O ZINC000103318412 541998239 /nfs/dbraw/zinc/99/82/39/541998239.db2.gz YKVODTGNHKJZJF-NSHDSACASA-N -1 1 281.153 3.198 20 0 CGADMM COc1ccc(C(=O)Nc2ccnc(C)c2Cl)c([O-])c1 ZINC000121860773 542022009 /nfs/dbraw/zinc/02/20/09/542022009.db2.gz FKHZRWQLKKRUQK-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CCC(F)(F)C3)n2)cc1F ZINC000336157548 375734355 /nfs/dbraw/zinc/73/43/55/375734355.db2.gz HFZVXGKTCIPURB-MRVPVSSYSA-N -1 1 284.237 3.484 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN1CCc2ccsc2C1 ZINC000516976196 375824907 /nfs/dbraw/zinc/82/49/07/375824907.db2.gz ZQMPJWKQJKLMBN-UHFFFAOYSA-N -1 1 293.413 3.375 20 0 CGADMM [O-]c1ccc(-c2nc(CCc3ccccc3)no2)c(F)c1 ZINC000131989145 542073933 /nfs/dbraw/zinc/07/39/33/542073933.db2.gz YXWQWNYOLCZBGP-UHFFFAOYSA-N -1 1 284.290 3.367 20 0 CGADMM CCCC(C)(C)N(Cc1cccs1)Cc1n[nH]c(=O)[n-]1 ZINC000338592832 376444234 /nfs/dbraw/zinc/44/42/34/376444234.db2.gz OQMJPLBOWQSGEV-UHFFFAOYSA-N -1 1 294.424 3.153 20 0 CGADMM CCc1nc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)cs1 ZINC000135038220 542086024 /nfs/dbraw/zinc/08/60/24/542086024.db2.gz DUITWDPGPRGSAQ-NSHDSACASA-N -1 1 296.436 3.028 20 0 CGADMM CCC1CCC(N(C(=O)c2ncccc2[O-])C2CC2)CC1 ZINC000153657389 542113806 /nfs/dbraw/zinc/11/38/06/542113806.db2.gz LMSUOPCPGGVUCR-UHFFFAOYSA-N -1 1 288.391 3.361 20 0 CGADMM O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1cncc([O-])c1 ZINC000339815637 376856416 /nfs/dbraw/zinc/85/64/16/376856416.db2.gz TXEBTKHIKOZDFE-DLBZAZTESA-N -1 1 296.370 3.243 20 0 CGADMM CC(C)(NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000339925004 376870571 /nfs/dbraw/zinc/87/05/71/376870571.db2.gz VDQXXORKJXHGTK-UHFFFAOYSA-N -1 1 290.750 3.106 20 0 CGADMM Cc1ccc(-c2ncco2)cc1NC(=O)c1cncc([O-])c1 ZINC000339935411 376875319 /nfs/dbraw/zinc/87/53/19/376875319.db2.gz RZFLPBDSVOZGGR-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM O=C([N-][C@@H]1CCC[C@@H]1c1ccccc1)C(F)(F)F ZINC000264692426 190129406 /nfs/dbraw/zinc/12/94/06/190129406.db2.gz HPFLEKALSNXXGR-GHMZBOCLSA-N -1 1 257.255 3.001 20 0 CGADMM CCOc1ccc(F)c([N-]C(=O)c2cncs2)c1F ZINC000340422738 377050101 /nfs/dbraw/zinc/05/01/01/377050101.db2.gz DAJGWYSTPNSQPI-UHFFFAOYSA-N -1 1 284.287 3.072 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc(-c2ccccc2)[nH]n1 ZINC000340327190 377003407 /nfs/dbraw/zinc/00/34/07/377003407.db2.gz CPWGTFQLKCPNSN-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)o1 ZINC000563279226 377432939 /nfs/dbraw/zinc/43/29/39/377432939.db2.gz YRWWDIPLPTYTAT-CQSZACIVSA-N -1 1 289.306 3.454 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2c(C)cccc2F)c1F ZINC000313217785 249088756 /nfs/dbraw/zinc/08/87/56/249088756.db2.gz JXODPIHTBLKATL-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM C[C@@H](c1ccccc1Cl)N1CCCN(C(=O)[O-])CC1 ZINC000739058755 572400535 /nfs/dbraw/zinc/40/05/35/572400535.db2.gz NBVKXQBILCBPGA-NSHDSACASA-N -1 1 282.771 3.087 20 0 CGADMM CC(C)(C)c1cc(C(=O)Nc2ccc(F)cc2[O-])no1 ZINC000269034495 378177375 /nfs/dbraw/zinc/17/73/75/378177375.db2.gz NDEYUHWHEXXANT-UHFFFAOYSA-N -1 1 278.283 3.069 20 0 CGADMM CCc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)o1 ZINC000276941298 379027229 /nfs/dbraw/zinc/02/72/29/379027229.db2.gz CROSEQRKYKYXGA-ZDUSSCGKSA-N -1 1 279.361 3.209 20 0 CGADMM CCc1ccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])o1 ZINC000277325783 379131822 /nfs/dbraw/zinc/13/18/22/379131822.db2.gz OAEIFPICOHSOMI-WBMJQRKESA-N -1 1 287.359 3.394 20 0 CGADMM C[C@]1(c2nc(-c3ccc([O-])cc3Cl)no2)CCCOC1 ZINC000278208925 379317246 /nfs/dbraw/zinc/31/72/46/379317246.db2.gz QCABTYHYXFJIQA-AWEZNQCLSA-N -1 1 294.738 3.164 20 0 CGADMM CS[C@@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278221826 379320992 /nfs/dbraw/zinc/32/09/92/379320992.db2.gz QYJWJMLBLRCUOB-LURJTMIESA-N -1 1 254.286 3.005 20 0 CGADMM CC[C@H]1CC[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)O1 ZINC000278320846 379345740 /nfs/dbraw/zinc/34/57/40/379345740.db2.gz YXYCSBBZIWTJKA-CABZTGNLSA-N -1 1 278.283 3.211 20 0 CGADMM Cc1ccc(NC(=O)c2csc(=NC3CC3)[n-]2)c(C)c1 ZINC000349803052 379392166 /nfs/dbraw/zinc/39/21/66/379392166.db2.gz RIFQWTOJPFPILQ-UHFFFAOYSA-N -1 1 287.388 3.008 20 0 CGADMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cncc([O-])c1 ZINC000279526051 379452243 /nfs/dbraw/zinc/45/22/43/379452243.db2.gz VOMNXXIXEVCBOX-CYBMUJFWSA-N -1 1 296.370 3.228 20 0 CGADMM Cc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cn1 ZINC000350818228 379589094 /nfs/dbraw/zinc/58/90/94/379589094.db2.gz UXFHMJBICGFWQF-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1cccnc1 ZINC000350823290 379592059 /nfs/dbraw/zinc/59/20/59/379592059.db2.gz LHUNTOARRRTDFZ-VIFPVBQESA-N -1 1 285.278 3.128 20 0 CGADMM C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000377382337 379666486 /nfs/dbraw/zinc/66/64/86/379666486.db2.gz KZCVFRSEINXDBN-JDNHERCYSA-N -1 1 291.297 3.282 20 0 CGADMM CCC1(CC)CN(C(=O)N=c2[n-]sc3ccccc32)C1 ZINC000640337091 379770250 /nfs/dbraw/zinc/77/02/50/379770250.db2.gz AIAXKNBFWNVISA-UHFFFAOYSA-N -1 1 289.404 3.372 20 0 CGADMM O=C(N=c1[n-]sc2ccccc21)N1CC[C@@H]2CCC[C@H]21 ZINC000640338680 379770817 /nfs/dbraw/zinc/77/08/17/379770817.db2.gz GDMFIDBPCRBVAE-CMPLNLGQSA-N -1 1 287.388 3.125 20 0 CGADMM CCN(CC)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000282402702 379912261 /nfs/dbraw/zinc/91/22/61/379912261.db2.gz HWCIIBJWYBPKKS-UHFFFAOYSA-N -1 1 278.739 3.076 20 0 CGADMM [O-]c1c(-c2nc([C@@H]3CCCOC3)no2)ccc2ccccc21 ZINC000387777733 379878785 /nfs/dbraw/zinc/87/87/85/379878785.db2.gz HHZXLKIKFSSWPJ-GFCCVEGCSA-N -1 1 296.326 3.489 20 0 CGADMM C[C@@H](c1ccc(F)cc1F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405361888 379984026 /nfs/dbraw/zinc/98/40/26/379984026.db2.gz PRHJOBAMMVBLNS-GXFFZTMASA-N -1 1 295.329 3.213 20 0 CGADMM Oc1ccc(F)c(C[N@H+]2CC[C@@H]3CCC[C@H]32)c1F ZINC000352990253 380067329 /nfs/dbraw/zinc/06/73/29/380067329.db2.gz TTZBPBBNKFYUCD-JOYOIKCWSA-N -1 1 253.292 3.045 20 0 CGADMM CC(C)(CC(=O)Nc1c([O-])cccc1F)C1CC1 ZINC000645926900 380781450 /nfs/dbraw/zinc/78/14/50/380781450.db2.gz LQOMRDVVLGRWMR-UHFFFAOYSA-N -1 1 251.301 3.296 20 0 CGADMM CN(C(=O)c1cncc([O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000279274635 194363699 /nfs/dbraw/zinc/36/36/99/194363699.db2.gz VXONCUAJUKOBPQ-UHFFFAOYSA-N -1 1 284.359 3.361 20 0 CGADMM CC(F)(F)C(=O)[N-]Cc1ccc(F)cc1C(F)(F)F ZINC000288642651 197135588 /nfs/dbraw/zinc/13/55/88/197135588.db2.gz UNOSHFOFBLIJNU-UHFFFAOYSA-N -1 1 285.187 3.116 20 0 CGADMM O=C([N-][C@@H](C1CC1)C(F)(F)F)C(F)(F)c1ccccc1 ZINC000288686091 197144909 /nfs/dbraw/zinc/14/49/09/197144909.db2.gz VWSPFOPTZCUBDM-JTQLQIEISA-N -1 1 293.235 3.236 20 0 CGADMM CC1(C)CCC[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000357643280 381236035 /nfs/dbraw/zinc/23/60/35/381236035.db2.gz ZRVCBKAVASNKGD-SNVBAGLBSA-N -1 1 251.301 3.296 20 0 CGADMM COc1cc(C(=O)N2CC(C)(C)C[C@H]2C)cc(Cl)c1[O-] ZINC000335263804 208054217 /nfs/dbraw/zinc/05/42/17/208054217.db2.gz WEDPHMRBFXFXLO-SECBINFHSA-N -1 1 297.782 3.315 20 0 CGADMM CC1(C)CC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)O1 ZINC000289152152 197247743 /nfs/dbraw/zinc/24/77/43/197247743.db2.gz TTYMVNIIOXQUEC-NSHDSACASA-N -1 1 278.283 3.211 20 0 CGADMM CSCC(C)(C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289076712 197228604 /nfs/dbraw/zinc/22/86/04/197228604.db2.gz MSEPZWNDQISBLD-UHFFFAOYSA-N -1 1 282.340 3.222 20 0 CGADMM C[C@H]1OCCC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289067825 197226722 /nfs/dbraw/zinc/22/67/22/197226722.db2.gz MBALHPCSSZIJDP-SCZZXKLOSA-N -1 1 294.738 3.378 20 0 CGADMM CO[C@H](C)c1nc(=NCC2(C3CCC3)CCC2)s[n-]1 ZINC000413338954 533120052 /nfs/dbraw/zinc/12/00/52/533120052.db2.gz NKTFVDBKAIZGOU-SNVBAGLBSA-N -1 1 281.425 3.050 20 0 CGADMM CO[C@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436586592 533229012 /nfs/dbraw/zinc/22/90/12/533229012.db2.gz BQZQMNGHPWZVEB-WBVHZDCISA-N -1 1 299.370 3.233 20 0 CGADMM Cc1cnc(C(=O)N2CCCC23CCCCC3)c([O-])c1 ZINC000330233538 292871513 /nfs/dbraw/zinc/87/15/13/292871513.db2.gz GAIFYHKFOITVBE-UHFFFAOYSA-N -1 1 274.364 3.035 20 0 CGADMM Cn1[n-]c(CSc2ccc(-c3ccccc3)cc2)nc1=O ZINC000351676714 542552125 /nfs/dbraw/zinc/55/21/25/542552125.db2.gz PPSGQVGMLIDGAI-UHFFFAOYSA-N -1 1 297.383 3.068 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(F)c(C)c2)c([O-])c1 ZINC000061120430 392125396 /nfs/dbraw/zinc/12/53/96/392125396.db2.gz DRGGCDCVUIFARL-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCc2ccccc21 ZINC000093913434 392241387 /nfs/dbraw/zinc/24/13/87/392241387.db2.gz POLSOIPDISPLRI-HNNXBMFYSA-N -1 1 285.318 3.291 20 0 CGADMM C[C@H]1CCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000284826122 392315334 /nfs/dbraw/zinc/31/53/34/392315334.db2.gz AVWBDQAMCCUNOL-VIFPVBQESA-N -1 1 293.750 3.136 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc([O-])c2F)[C@H]1C ZINC000283131940 392300718 /nfs/dbraw/zinc/30/07/18/392300718.db2.gz ZQRWYQYZIUCZBY-YWVKMMECSA-N -1 1 283.318 3.225 20 0 CGADMM CC(C)C1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000647290960 392643052 /nfs/dbraw/zinc/64/30/52/392643052.db2.gz VGGRHHJQRWQWPJ-UHFFFAOYSA-N -1 1 287.281 3.329 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)[C@H]2CCC[C@@H]21 ZINC000647497931 392740962 /nfs/dbraw/zinc/74/09/62/392740962.db2.gz CKBFEDMQBJBJJU-AAEUAGOBSA-N -1 1 277.339 3.182 20 0 CGADMM O=C(NC[C@H]1CC12CC2)c1ccc2ccccc2c1[O-] ZINC000416082242 393255113 /nfs/dbraw/zinc/25/51/13/393255113.db2.gz 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ZINC000681017619 543757334 /nfs/dbraw/zinc/75/73/34/543757334.db2.gz ILAPIMSZUQROFD-AWEZNQCLSA-N -1 1 271.291 3.119 20 0 CGADMM Cc1cc(N(C)C)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681020287 543757500 /nfs/dbraw/zinc/75/75/00/543757500.db2.gz WVDMENNZVJAMNW-UHFFFAOYSA-N -1 1 288.322 3.158 20 0 CGADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681043145 543759330 /nfs/dbraw/zinc/75/93/30/543759330.db2.gz XVIDHXBRPWJPBA-DGCLKSJQSA-N -1 1 279.355 3.476 20 0 CGADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681043149 543759487 /nfs/dbraw/zinc/75/94/87/543759487.db2.gz XVIDHXBRPWJPBA-YPMHNXCESA-N -1 1 279.355 3.476 20 0 CGADMM CC[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681046893 543760102 /nfs/dbraw/zinc/76/01/02/543760102.db2.gz FPFBDDAXWQQDBO-LLVKDONJSA-N -1 1 265.328 3.184 20 0 CGADMM CC(C)(C)CCCNC(=O)c1ccc([O-])c(F)c1 ZINC000681049096 543760396 /nfs/dbraw/zinc/76/03/96/543760396.db2.gz WJZDXHXRBJTAMT-UHFFFAOYSA-N -1 1 253.317 3.087 20 0 CGADMM CCc1nc([C@@H](C)NC(=O)c2ccc([O-])c(F)c2)cs1 ZINC000681047409 543760501 /nfs/dbraw/zinc/76/05/01/543760501.db2.gz VWNWACCRRUTWNH-MRVPVSSYSA-N -1 1 294.351 3.041 20 0 CGADMM Cc1ccc(C[C@H](C)NC(=O)c2ccc([O-])c(F)c2)s1 ZINC000681048239 543760686 /nfs/dbraw/zinc/76/06/86/543760686.db2.gz CYZUSCQJTDZYSC-VIFPVBQESA-N -1 1 293.363 3.262 20 0 CGADMM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681053589 543761203 /nfs/dbraw/zinc/76/12/03/543761203.db2.gz UVETUGWKGOQGNE-ZWNOBZJWSA-N -1 1 279.355 3.476 20 0 CGADMM Cc1cc(C)cc(CCNC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681050348 543761472 /nfs/dbraw/zinc/76/14/72/543761472.db2.gz ZRCOSSYCIIXLDP-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM CCC[C@@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681067626 543763020 /nfs/dbraw/zinc/76/30/20/543763020.db2.gz DEYCNYPIKKPGEK-GFCCVEGCSA-N -1 1 265.328 3.326 20 0 CGADMM Cc1nc(C(=O)Nc2ccc(Cl)cc2[O-])sc1C ZINC000683563749 543925439 /nfs/dbraw/zinc/92/54/39/543925439.db2.gz RUICLJBLTNXSKW-UHFFFAOYSA-N -1 1 282.752 3.371 20 0 CGADMM CCCC[C@@H](CC)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000684162629 543970418 /nfs/dbraw/zinc/97/04/18/543970418.db2.gz APUAEBJLIFKTRD-LLVKDONJSA-N -1 1 287.367 3.022 20 0 CGADMM CCC1CCC(N(C(=O)c2cncc([O-])c2)C2CC2)CC1 ZINC000684191640 543971244 /nfs/dbraw/zinc/97/12/44/543971244.db2.gz JBIBVAJFRCPKNU-UHFFFAOYSA-N -1 1 288.391 3.361 20 0 CGADMM Cc1nc2ccc(C(=O)Nc3c([O-])cccc3F)cc2o1 ZINC000684293419 543979721 /nfs/dbraw/zinc/97/97/21/543979721.db2.gz KJJDTFUMTHXXBV-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM O=C(N[C@H]1CC=CCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684875930 544035305 /nfs/dbraw/zinc/03/53/05/544035305.db2.gz MUMBGTMPTFTHBX-JTQLQIEISA-N -1 1 285.265 3.250 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1C[C@@H]1C1CCCC1 ZINC000652422165 418966000 /nfs/dbraw/zinc/96/60/00/418966000.db2.gz QCUKXPKPSGRCEU-NXEZZACHSA-N -1 1 281.302 3.435 20 0 CGADMM CCC(C)(CC)C(=O)Nc1ccc([O-])c(F)c1F ZINC000654307855 418959534 /nfs/dbraw/zinc/95/95/34/418959534.db2.gz APBKAISGYZOPDN-UHFFFAOYSA-N 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YLODFRSVNQPXDZ-UHFFFAOYSA-N -1 1 290.388 3.054 20 0 CGADMM CCc1nc(SCCC2CCC2)[n-]c(=O)c1C ZINC000657264112 419239720 /nfs/dbraw/zinc/23/97/20/419239720.db2.gz FDHFLOZDZBBAGB-UHFFFAOYSA-N -1 1 252.383 3.335 20 0 CGADMM O=C(NCCC1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000390411260 262190905 /nfs/dbraw/zinc/19/09/05/262190905.db2.gz LIWQGGGQHDGQHA-UHFFFAOYSA-N -1 1 299.370 3.092 20 0 CGADMM CC1(C)C[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000044365881 270035473 /nfs/dbraw/zinc/03/54/73/270035473.db2.gz KFMXFZDUKSEHMC-CYBMUJFWSA-N -1 1 255.317 3.074 20 0 CGADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1C ZINC000187173620 270068027 /nfs/dbraw/zinc/06/80/27/270068027.db2.gz VBCBLOUSEDWNKR-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM O=C(Nc1cccc2c1CCCC2)c1ccc(O)cc1[O-] ZINC000219980039 270085742 /nfs/dbraw/zinc/08/57/42/270085742.db2.gz GKYFATQLQAJXML-UHFFFAOYSA-N -1 1 283.327 3.229 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1cccs1 ZINC000228834218 270087891 /nfs/dbraw/zinc/08/78/91/270087891.db2.gz OJWLFDBAWPAKGW-QMMMGPOBSA-N -1 1 265.309 3.084 20 0 CGADMM O=C(NCc1cccc(Cl)c1Cl)c1cncc([O-])c1 ZINC000520379510 265790843 /nfs/dbraw/zinc/79/08/43/265790843.db2.gz BEIQNDIEFZQWAG-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000528169868 270156240 /nfs/dbraw/zinc/15/62/40/270156240.db2.gz VKSWPTKTUUFZBZ-LOKDSWTASA-N -1 1 292.310 3.108 20 0 CGADMM CC(C)(C)C[C@@H]1CCN(C(=O)c2ncccc2[O-])C1(C)C ZINC000414000322 277147873 /nfs/dbraw/zinc/14/78/73/277147873.db2.gz ZKTVFFDELCQELF-LBPRGKRZSA-N -1 1 290.407 3.464 20 0 CGADMM CO[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1C ZINC000335477706 277339569 /nfs/dbraw/zinc/33/95/69/277339569.db2.gz YGUGNWYBPKUURS-PXAZEXFGSA-N -1 1 299.370 3.042 20 0 CGADMM CO[C@H]1CCOc2c(NC(=O)c3ccccc3[O-])cccc21 ZINC000436807450 277343092 /nfs/dbraw/zinc/34/30/92/277343092.db2.gz LCPRVCGJZQJZKZ-HNNXBMFYSA-N -1 1 299.326 3.115 20 0 CGADMM CC(C)[C@H]1CN(C(=O)c2ccccc2[O-])c2ccccc2N1 ZINC000180621749 277956776 /nfs/dbraw/zinc/95/67/76/277956776.db2.gz QJNMUDSBLQWNSJ-OAHLLOKOSA-N -1 1 296.370 3.489 20 0 CGADMM C[C@H]1C[C@H](NC(=O)c2cc3ccccc3cc2[O-])CS1 ZINC000397971629 288036631 /nfs/dbraw/zinc/03/66/31/288036631.db2.gz MUTCKUZAGFZDLI-GWCFXTLKSA-N -1 1 287.384 3.169 20 0 CGADMM Cc1ncc(C(=O)Nc2cccc(F)c2[O-])c(C(C)C)n1 ZINC000530007608 288282516 /nfs/dbraw/zinc/28/25/16/288282516.db2.gz YFKKSZQHJJLZBV-UHFFFAOYSA-N -1 1 289.310 3.005 20 0 CGADMM C[C@@H]1CC(F)(F)CCN1Cc1csc(C(=O)[O-])c1 ZINC000530171551 288292228 /nfs/dbraw/zinc/29/22/28/288292228.db2.gz BUAUBJBGLXYXAA-MRVPVSSYSA-N -1 1 275.320 3.066 20 0 CGADMM CCc1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)c([O-])c1 ZINC000436822329 281398669 /nfs/dbraw/zinc/39/86/69/281398669.db2.gz TXBLHVDSPSDJLZ-GFCCVEGCSA-N -1 1 297.354 3.382 20 0 CGADMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)C1CCCC1 ZINC000535288519 288446413 /nfs/dbraw/zinc/44/64/13/288446413.db2.gz LBQFYGPVCXQKHH-UHFFFAOYSA-N -1 1 295.795 3.342 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)s[n-]1 ZINC000337852134 294343987 /nfs/dbraw/zinc/34/39/87/294343987.db2.gz GELFLZRKVQAIGN-WRWGMCAJSA-N -1 1 281.425 3.048 20 0 CGADMM C[C@H]1COC(C)(C)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436731528 300331345 /nfs/dbraw/zinc/33/13/45/300331345.db2.gz LVDRHBVMVUQZNX-LBPRGKRZSA-N -1 1 299.370 3.185 20 0 CGADMM C[C@H]1COc2ccccc2CN1Cc1cccc(C(=O)[O-])c1 ZINC000263450585 300370450 /nfs/dbraw/zinc/37/04/50/300370450.db2.gz ZKUJZWJLGLZWEI-ZDUSSCGKSA-N -1 1 297.354 3.168 20 0 CGADMM Cc1cnc(SC[C@@H]2CCC[C@@H](C)C2)[n-]c1=O ZINC000582976891 329293588 /nfs/dbraw/zinc/29/35/88/329293588.db2.gz XFCAEZNZTWDIJO-MWLCHTKSSA-N -1 1 252.383 3.409 20 0 CGADMM CC[C@H](C)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000152341482 321698135 /nfs/dbraw/zinc/69/81/35/321698135.db2.gz ZQCSBGQNWNOTTA-QMMMGPOBSA-N -1 1 286.169 3.025 20 0 CGADMM Cc1nc(-c2ccc(N[C@@H]3C[C@H]4C[C@H]4C3)nc2)[n-]c(=O)c1C ZINC000564876584 322047316 /nfs/dbraw/zinc/04/73/16/322047316.db2.gz ODHWUBVHPFRVGW-BTTYYORXSA-N -1 1 296.374 3.071 20 0 CGADMM CCc1nc(SCCOCC2CCCC2)[n-]c(=O)c1C ZINC000566498606 322127146 /nfs/dbraw/zinc/12/71/46/322127146.db2.gz KGLNBHUAVRBPOI-UHFFFAOYSA-N -1 1 296.436 3.352 20 0 CGADMM Cc1oc(CN(C)Cc2ccc3c(c2)CCC3)cc1C(=O)[O-] ZINC000569934002 322260972 /nfs/dbraw/zinc/26/09/72/322260972.db2.gz CLDWIIITCGAXFG-UHFFFAOYSA-N -1 1 299.370 3.407 20 0 CGADMM CC(C)=CCN(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000572249530 322327441 /nfs/dbraw/zinc/32/74/41/322327441.db2.gz OKSZXQNYISJACA-UHFFFAOYSA-N -1 1 283.318 3.208 20 0 CGADMM CCc1nc(S[C@@H](C)c2nnc(C)s2)[n-]c(=O)c1C ZINC000573104297 322370596 /nfs/dbraw/zinc/37/05/96/322370596.db2.gz NTAQFLSJIOMDPS-ZETCQYMHSA-N -1 1 296.421 3.066 20 0 CGADMM O=C(Nc1ccc(C2CCC2)cn1)c1ccc(O)cc1[O-] ZINC000574233366 322430503 /nfs/dbraw/zinc/43/05/03/322430503.db2.gz WXPYBPOMIJFQCK-UHFFFAOYSA-N -1 1 284.315 3.013 20 0 CGADMM Oc1cccnc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000582527383 329107286 /nfs/dbraw/zinc/10/72/86/329107286.db2.gz XRSPJEAPGYLTRW-HNNXBMFYSA-N -1 1 290.313 3.403 20 0 CGADMM Cc1oc(CN(C)Cc2ccc(F)cc2C)cc1C(=O)[O-] ZINC000576286208 335183495 /nfs/dbraw/zinc/18/34/95/335183495.db2.gz OFGSPGQXEFIBMA-UHFFFAOYSA-N -1 1 291.322 3.366 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](F)C1 ZINC000577000375 335276145 /nfs/dbraw/zinc/27/61/45/335276145.db2.gz BJONFJUCGMQFNW-CYBMUJFWSA-N -1 1 273.307 3.120 20 0 CGADMM Cc1ccoc1CN[C@@H](C(=O)[O-])C1(C)CCCCC1 ZINC000426733370 534446603 /nfs/dbraw/zinc/44/66/03/534446603.db2.gz XSIJEECXRGHHRT-ZDUSSCGKSA-N -1 1 265.353 3.101 20 0 CGADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1c([O-])cccc1F ZINC000436493358 534557081 /nfs/dbraw/zinc/55/70/81/534557081.db2.gz FOIBNPPXJNRUDK-SECBINFHSA-N -1 1 287.281 3.087 20 0 CGADMM O=C(NC1CC(c2ccccc2)C1)c1c([O-])cccc1F ZINC000436515433 534788039 /nfs/dbraw/zinc/78/80/39/534788039.db2.gz RGIWGIKOFAUQKA-UHFFFAOYSA-N -1 1 285.318 3.207 20 0 CGADMM C[C@@H](N[C@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)[O-] ZINC000049354528 525658547 /nfs/dbraw/zinc/65/85/47/525658547.db2.gz KXJFRDAXKPPBKP-PHDIDXHHSA-N -1 1 280.126 3.256 20 0 CGADMM CC(C)[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000436893659 527842036 /nfs/dbraw/zinc/84/20/36/527842036.db2.gz ONUUGAKUUMBBSR-MRXNPFEDSA-N -1 1 299.370 3.042 20 0 CGADMM CC(C)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])on1 ZINC000436735086 528039905 /nfs/dbraw/zinc/03/99/05/528039905.db2.gz CFVLQEZXJMLBIB-UHFFFAOYSA-N -1 1 280.711 3.409 20 0 CGADMM CCCn1nccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436539389 528897411 /nfs/dbraw/zinc/89/74/11/528897411.db2.gz YCCNVHVPFLWCAW-UHFFFAOYSA-N -1 1 295.342 3.404 20 0 CGADMM COc1ccccc1C(C)(C)NCc1ccoc1C(=O)[O-] ZINC000738120200 572365324 /nfs/dbraw/zinc/36/53/24/572365324.db2.gz KUPNRUIDBYUSMQ-UHFFFAOYSA-N -1 1 289.331 3.011 20 0 CGADMM O=C(OCCc1cccs1)c1c([O-])cc(F)cc1F ZINC000733471168 572578775 /nfs/dbraw/zinc/57/87/75/572578775.db2.gz RWKMALKJOMOKLT-UHFFFAOYSA-N -1 1 284.283 3.131 20 0 CGADMM Cc1nc(CNC(=O)c2c([O-])cccc2Cl)sc1C ZINC000743813961 572686143 /nfs/dbraw/zinc/68/61/43/572686143.db2.gz MJXMDGNQPXZOSS-UHFFFAOYSA-N -1 1 296.779 3.049 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C(/C)C2CC2)c1 ZINC000744828147 572778221 /nfs/dbraw/zinc/77/82/21/572778221.db2.gz JTEHCJXOCJOTNY-LUAWRHEFSA-N -1 1 288.343 3.037 20 0 CGADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H](C)C(C)(C)C ZINC000747397313 572927960 /nfs/dbraw/zinc/92/79/60/572927960.db2.gz KUSMHODASFXETN-JTQLQIEISA-N -1 1 293.411 3.026 20 0 CGADMM CC[C@@H](C)CN(CC)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000748566804 572980211 /nfs/dbraw/zinc/98/02/11/572980211.db2.gz NRHWFYUIVQBUGF-LLVKDONJSA-N -1 1 293.411 3.122 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1C[C@@H]2CCCC[C@H]2C1 ZINC000750251278 573104642 /nfs/dbraw/zinc/10/46/42/573104642.db2.gz PIMJHKBSGKWJOR-QWRGUYRKSA-N -1 1 279.767 3.308 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405368220 600307284 /nfs/dbraw/zinc/30/72/84/600307284.db2.gz WRQILZKGEFNOAL-QWRGUYRKSA-N -1 1 295.329 3.213 20 0 CGADMM CN(Cc1ccc(F)cc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234284135 601613633 /nfs/dbraw/zinc/61/36/33/601613633.db2.gz ZVCKFSCMWDGFGH-UHFFFAOYSA-N -1 1 291.297 3.295 20 0 CGADMM O=C([O-])c1ccc(CN2CC[C@H]2c2ccccc2)cc1F ZINC000833313512 601642640 /nfs/dbraw/zinc/64/26/40/601642640.db2.gz YALIETQLIMYGTB-INIZCTEOSA-N -1 1 285.318 3.471 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(Cl)cc3F)c(=O)c21 ZINC000899360361 620663591 /nfs/dbraw/zinc/66/35/91/620663591.db2.gz JQWDKQNPOCFWSN-MADCSZMMSA-N -1 1 266.703 3.228 20 0 CGADMM CCCc1c(C)[n-]n(-c2cc(F)ccc2F)c1=O ZINC000899361946 620667253 /nfs/dbraw/zinc/66/72/53/620667253.db2.gz FZLRRGDHCUTWKH-JTQLQIEISA-N -1 1 252.264 3.104 20 0 CGADMM C[C@H](c1ccccc1F)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833549696 604532665 /nfs/dbraw/zinc/53/26/65/604532665.db2.gz NGEKHFSPFDFJNR-SNVBAGLBSA-N -1 1 276.311 3.045 20 0 CGADMM CC1(C)CN(Cc2c[nH]c(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000833560994 604608459 /nfs/dbraw/zinc/60/84/59/604608459.db2.gz DHBDTBWAMWDLFY-OAHLLOKOSA-N -1 1 284.359 3.296 20 0 CGADMM CC(C)Cc1ncc(CN(CC(=O)[O-])C2CCCC2)s1 ZINC000833495200 604662563 /nfs/dbraw/zinc/66/25/63/604662563.db2.gz WZHSTJPCLMNYAI-UHFFFAOYSA-N -1 1 296.436 3.171 20 0 CGADMM C/C(=C/CN[C@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC000833381739 605174231 /nfs/dbraw/zinc/17/42/31/605174231.db2.gz DVWQWYJAOBKEMM-JGAIRUGNSA-N -1 1 271.719 3.161 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833828466 605887078 /nfs/dbraw/zinc/88/70/78/605887078.db2.gz DVSOTFCGPPKJFM-OUAUKWLOSA-N -1 1 298.333 3.004 20 0 CGADMM CC(C)CCSc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820081334 606469736 /nfs/dbraw/zinc/46/97/36/606469736.db2.gz CINACKQNLZVGPB-UHFFFAOYSA-N -1 1 283.788 3.053 20 0 CGADMM CC(C)CCSc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820081334 606469737 /nfs/dbraw/zinc/46/97/37/606469737.db2.gz CINACKQNLZVGPB-UHFFFAOYSA-N -1 1 283.788 3.053 20 0 CGADMM CC1(C)CCC(Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858421577 617620053 /nfs/dbraw/zinc/62/00/53/617620053.db2.gz BWIPHQVRTIEXQL-UHFFFAOYSA-N -1 1 255.749 3.216 20 0 CGADMM O=C(/C=C/c1ccc(Cl)nc1)c1cc(O)ccc1[O-] ZINC000156646235 618239757 /nfs/dbraw/zinc/23/97/57/618239757.db2.gz HHTHBMJXUMRAAV-DAFODLJHSA-N -1 1 275.691 3.042 20 0 CGADMM CCOc1cccc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000176252373 618439670 /nfs/dbraw/zinc/43/96/70/618439670.db2.gz FHRNDJYNEOODBK-QMMMGPOBSA-N -1 1 293.260 3.163 20 0 CGADMM Cc1cc([C@H](C)NCc2cccc(C(=O)[O-])n2)c(C)s1 ZINC000235518391 618806046 /nfs/dbraw/zinc/80/60/46/618806046.db2.gz VYDKSCSZHPCJQV-JTQLQIEISA-N -1 1 290.388 3.309 20 0 CGADMM O=C(CCc1cccs1)Nc1nc(Cl)ccc1[O-] ZINC000188356330 619084701 /nfs/dbraw/zinc/08/47/01/619084701.db2.gz WXUSSMRMJSOHIT-UHFFFAOYSA-N -1 1 282.752 3.073 20 0 CGADMM CC[C@H](C)[C@H](Nc1ccnc2cc(F)ccc21)C(=O)[O-] ZINC000263401611 620315516 /nfs/dbraw/zinc/31/55/16/620315516.db2.gz JBYRBVCLLPQEPZ-XPTSAGLGSA-N -1 1 276.311 3.285 20 0 CGADMM CCCC[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000263410005 620316941 /nfs/dbraw/zinc/31/69/41/620316941.db2.gz LCHJWOXXWPCVFA-UHTWSYAYSA-N -1 1 265.353 3.136 20 0 CGADMM CCC[C@H](Nc1ccnc2cc(F)ccc21)C(=O)[O-] ZINC000263561697 620326809 /nfs/dbraw/zinc/32/68/09/620326809.db2.gz SBLMWAXYZXQPEI-LBPRGKRZSA-N -1 1 262.284 3.039 20 0 CGADMM O=C([O-])C1CCN(Cc2cscc2C(F)(F)F)CC1 ZINC000901480511 620892136 /nfs/dbraw/zinc/89/21/36/620892136.db2.gz KXMCHSRQOWGLHO-UHFFFAOYSA-N -1 1 293.310 3.064 20 0 CGADMM Cc1cc2cc(CN3CC[C@](F)(C(=O)[O-])C3)oc2cc1C ZINC000901520573 620911387 /nfs/dbraw/zinc/91/13/87/620911387.db2.gz WXHCYBGDPBGKBX-MRXNPFEDSA-N -1 1 291.322 3.048 20 0 CGADMM CC1(C)CCc2cc(C=C3SC(=O)[N-]C3=O)ccc2O1 ZINC000901555680 620926641 /nfs/dbraw/zinc/92/66/41/620926641.db2.gz YEOKFDSMONJKPB-WQLSENKSSA-N -1 1 289.356 3.114 20 0 CGADMM CC(=O)CCCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901618719 620947562 /nfs/dbraw/zinc/94/75/62/620947562.db2.gz ISTUMGJSNNGNNU-UHFFFAOYSA-N -1 1 288.372 3.311 20 0 CGADMM CCO[C@@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901616114 620954640 /nfs/dbraw/zinc/95/46/40/620954640.db2.gz KQDUAVMXUHDNQE-SNVBAGLBSA-N -1 1 276.361 3.324 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CNCc2cc(C(=O)[O-])cs2)o1 ZINC000902108031 621138335 /nfs/dbraw/zinc/13/83/35/621138335.db2.gz IVVLRFPHFLZYSW-TVQRCGJNSA-N -1 1 291.372 3.453 20 0 CGADMM CCc1ccc(CNCc2ccc(/C=C/C(=O)[O-])o2)s1 ZINC000902132817 621168262 /nfs/dbraw/zinc/16/82/62/621168262.db2.gz RLTIMPZLXHYBQR-VMPITWQZSA-N -1 1 291.372 3.291 20 0 CGADMM Cc1ccc(CN(C)Cc2ccc(/C=C/C(=O)[O-])o2)s1 ZINC000902220163 621197412 /nfs/dbraw/zinc/19/74/12/621197412.db2.gz ATSXDJWBMYPQCQ-SOFGYWHQSA-N -1 1 291.372 3.379 20 0 CGADMM CC[C@H](CC(F)(F)F)NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902336260 621270979 /nfs/dbraw/zinc/27/09/79/621270979.db2.gz KWVKHISZADDBLW-VUHVRTRXSA-N -1 1 291.269 3.198 20 0 CGADMM Cc1cc(CN2CCC=C(c3ccco3)C2)oc1C(=O)[O-] ZINC000902459378 621336430 /nfs/dbraw/zinc/33/64/30/621336430.db2.gz OCAPJXRFNQWSNY-UHFFFAOYSA-N -1 1 287.315 3.169 20 0 CGADMM CCc1oc(C[N@H+](C)[C@H](CC)CSC)cc1C(=O)[O-] ZINC000902531354 621364606 /nfs/dbraw/zinc/36/46/06/621364606.db2.gz UKYFTMKLHPCDJG-SNVBAGLBSA-N -1 1 285.409 3.114 20 0 CGADMM C[N@@H+](Cc1cccc(C(=O)[O-])n1)C(C)(C)c1ccccc1 ZINC000902547610 621371709 /nfs/dbraw/zinc/37/17/09/621371709.db2.gz RJJJPHCBRCTKRJ-UHFFFAOYSA-N -1 1 284.359 3.147 20 0 CGADMM O=C([O-])c1ccc(CN(Cc2ccccn2)C2CC2)s1 ZINC000903688408 621785443 /nfs/dbraw/zinc/78/54/43/621785443.db2.gz XZQWOAYZAQWXRX-UHFFFAOYSA-N -1 1 288.372 3.006 20 0 CGADMM Cc1nc(CN2CC[C@H](C(=O)[O-])[C@@H]2C)sc1C(C)(C)C ZINC000903904282 621831680 /nfs/dbraw/zinc/83/16/80/621831680.db2.gz IRYBZKHZQLFTFZ-QWRGUYRKSA-N -1 1 296.436 3.044 20 0 CGADMM CC(C)c1cnc(CN2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)o1 ZINC000903954110 621842499 /nfs/dbraw/zinc/84/24/99/621842499.db2.gz WRGYEOFVVSNDFI-OZTPJHRESA-N -1 1 294.395 3.118 20 0 CGADMM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccccc2F)c(C)o1 ZINC000904046134 621859010 /nfs/dbraw/zinc/85/90/10/621859010.db2.gz VVQNMBBCFBCGEM-HNNXBMFYSA-N -1 1 291.322 3.341 20 0 CGADMM Cc1cccc(C(C)(C)NCc2ccc(C(=O)[O-])cn2)c1 ZINC000905725957 622100834 /nfs/dbraw/zinc/10/08/34/622100834.db2.gz AVPYHIZNUVKLRI-UHFFFAOYSA-N -1 1 284.359 3.113 20 0 CGADMM C[C@@H](C(=O)Nc1cccc([O-])c1Br)C1CC1 ZINC000908712675 622368869 /nfs/dbraw/zinc/36/88/69/622368869.db2.gz IKQPPVVYKGYSJA-SSDOTTSWSA-N -1 1 284.153 3.139 20 0 CGADMM O=C(CCC1CC1)Nc1cccc([O-])c1Br ZINC000908712696 622368906 /nfs/dbraw/zinc/36/89/06/622368906.db2.gz JDROMUPBBDNFKX-UHFFFAOYSA-N -1 1 284.153 3.283 20 0 CGADMM CCOCCCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909972943 622439934 /nfs/dbraw/zinc/43/99/34/622439934.db2.gz SCNCAMPKZJPQEL-UHFFFAOYSA-N -1 1 287.306 3.206 20 0 CGADMM COC1CCC(CC(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC000909985186 622441573 /nfs/dbraw/zinc/44/15/73/622441573.db2.gz XVPLTFQWXKJEBO-UHFFFAOYSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@H]1CCC[C@]1(C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986965 622442571 /nfs/dbraw/zinc/44/25/71/622442571.db2.gz FHYVIKOMFFMHMW-RTHLEPHNSA-N -1 1 269.291 3.435 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CC12CCSCC2 ZINC000909986940 622442967 /nfs/dbraw/zinc/44/29/67/622442967.db2.gz DHHLDNLRWLJLQI-QMMMGPOBSA-N -1 1 299.342 3.142 20 0 CGADMM C[C@@H](CC(F)(F)F)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987815 622444959 /nfs/dbraw/zinc/44/49/59/622444959.db2.gz KAYSWTRIYXEUNZ-YFKPBYRVSA-N -1 1 283.196 3.197 20 0 CGADMM C[C@@H]1CC/C(=C/C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909981976 622445439 /nfs/dbraw/zinc/44/54/39/622445439.db2.gz CCQIEMRRIUOQTK-CPJBWDMUSA-N -1 1 267.275 3.355 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C1CCCCC1 ZINC000910978917 622512694 /nfs/dbraw/zinc/51/26/94/622512694.db2.gz HKWJCLYZAFISSE-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1C[C@H]1C1CCC1 ZINC000910986117 622512927 /nfs/dbraw/zinc/51/29/27/622512927.db2.gz IHWHPGLDGGJGFI-VHSXEESVSA-N -1 1 267.275 3.045 20 0 CGADMM CC[C@@H](CC(F)F)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910985635 622513497 /nfs/dbraw/zinc/51/34/97/622513497.db2.gz BBNDPDXJBPINCR-LURJTMIESA-N -1 1 279.233 3.290 20 0 CGADMM C[C@H](CC(F)(F)F)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910989301 622514319 /nfs/dbraw/zinc/51/43/19/622514319.db2.gz VFZMKBSHEJBDJK-RXMQYKEDSA-N -1 1 283.196 3.197 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H]1C1CC1 ZINC000769763207 625574991 /nfs/dbraw/zinc/57/49/91/625574991.db2.gz WNWGDLJAIHIXDQ-NSHDSACASA-N -1 1 265.740 3.060 20 0 CGADMM Cc1nnc(-c2ccc(NC(=O)c3ccccc3[O-])cc2)o1 ZINC000156424727 622818903 /nfs/dbraw/zinc/81/89/03/622818903.db2.gz RLIWIPWNDBSXRK-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM CCOc1cc(C(=O)NC[C@H]2C=CCC2)cc(Cl)c1[O-] ZINC000914278662 623699384 /nfs/dbraw/zinc/69/93/84/623699384.db2.gz VFNRLZLHKOFFIR-JTQLQIEISA-N -1 1 295.766 3.140 20 0 CGADMM Cc1nc(SCc2nc(C(C)C)ns2)[n-]c(=O)c1C ZINC000917419313 624267907 /nfs/dbraw/zinc/26/79/07/624267907.db2.gz PMORNAHGPYGDCA-UHFFFAOYSA-N -1 1 296.421 3.066 20 0 CGADMM CCc1nc(SC[C@@H]2C[C@H]2CC)[n-]c(=O)c1C ZINC000917841881 624315241 /nfs/dbraw/zinc/31/52/41/624315241.db2.gz CVJSJJAISFVFMU-ZJUUUORDSA-N -1 1 252.383 3.191 20 0 CGADMM Cc1nc(S[C@@H](C)c2ncccn2)[n-]c(=O)c1C1CC1 ZINC000918463722 624347565 /nfs/dbraw/zinc/34/75/65/624347565.db2.gz SCSHWXDCXRCJMN-VIFPVBQESA-N -1 1 288.376 3.011 20 0 CGADMM CCc1ncc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)o1 ZINC000918463853 624347720 /nfs/dbraw/zinc/34/77/20/624347720.db2.gz VAQQQAUTNMTNOB-UHFFFAOYSA-N -1 1 291.376 3.211 20 0 CGADMM O=C([O-])c1ccc(CNCc2ccc(C(F)(F)F)cc2)o1 ZINC000071396302 625084392 /nfs/dbraw/zinc/08/43/92/625084392.db2.gz SASWYWXLBGUZRH-UHFFFAOYSA-N -1 1 299.248 3.286 20 0 CGADMM C[C@@]1(C(=O)Nc2cccc([O-])c2Br)C=CCC1 ZINC000821375169 625819124 /nfs/dbraw/zinc/81/91/24/625819124.db2.gz OKTYUYZQHLHAKK-CYBMUJFWSA-N -1 1 296.164 3.450 20 0 CGADMM O=C(CC(F)(F)C(F)(F)F)Nc1c([O-])cccc1F ZINC000867006745 626325811 /nfs/dbraw/zinc/32/58/11/626325811.db2.gz OACPMVFBNLLGOX-UHFFFAOYSA-N -1 1 287.159 3.058 20 0 CGADMM O=C(NCCC1=CCCC1)c1c([O-])cccc1Cl ZINC000753822637 626467146 /nfs/dbraw/zinc/46/71/46/626467146.db2.gz ZDALNSHBZMITPN-UHFFFAOYSA-N -1 1 265.740 3.276 20 0 CGADMM Cc1nc([N-]C(=O)c2ocnc2C(F)(F)F)sc1C ZINC000874072917 634513355 /nfs/dbraw/zinc/51/33/55/634513355.db2.gz DWCHQUFJXRCUGA-UHFFFAOYSA-N -1 1 291.254 3.019 20 0 CGADMM O=C([O-])C[C@H](NCc1ccc(Cl)nc1)c1ccsc1 ZINC000756280751 626688617 /nfs/dbraw/zinc/68/86/17/626688617.db2.gz DMKBYKHRISCMCQ-NSHDSACASA-N -1 1 296.779 3.102 20 0 CGADMM O=C([O-])[C@@H](NC/C=C\c1ccccc1)c1cccs1 ZINC000756336837 626692914 /nfs/dbraw/zinc/69/29/14/626692914.db2.gz APJSAFGOOVNSJH-VCDPDADVSA-N -1 1 273.357 3.177 20 0 CGADMM O=C([O-])[C@H](NC/C=C/c1ccccc1)c1cccs1 ZINC000756336838 626692997 /nfs/dbraw/zinc/69/29/97/626692997.db2.gz APJSAFGOOVNSJH-YOIVXCQUSA-N -1 1 273.357 3.177 20 0 CGADMM CCCCCCC(=O)CSc1nc(CC)cc(=O)[n-]1 ZINC000767065567 627379360 /nfs/dbraw/zinc/37/93/60/627379360.db2.gz XUWKUZMRXBWUGZ-UHFFFAOYSA-N -1 1 282.409 3.376 20 0 CGADMM O=C(Nc1cccc2cnccc21)c1ccc([O-])c(F)c1 ZINC000768688869 627493523 /nfs/dbraw/zinc/49/35/23/627493523.db2.gz FHZXLKRAFMRPEK-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM C[C@@H](c1ccco1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769673003 627572413 /nfs/dbraw/zinc/57/24/13/627572413.db2.gz APDSJNBUQQQDLA-VIFPVBQESA-N -1 1 279.723 3.472 20 0 CGADMM CC[C@@H](C)[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000769733410 627574962 /nfs/dbraw/zinc/57/49/62/627574962.db2.gz YCSNSJFUIZMVBR-RKDXNWHRSA-N -1 1 255.745 3.210 20 0 CGADMM CC1(C)CCCN1C(=O)c1c([O-])cccc1Cl ZINC000769766339 627577035 /nfs/dbraw/zinc/57/70/35/627577035.db2.gz QIMNCERILVYVEP-UHFFFAOYSA-N -1 1 253.729 3.060 20 0 CGADMM C[C@@H]1CCCCCN1C(=O)c1c([O-])cccc1Cl ZINC000769857908 627584060 /nfs/dbraw/zinc/58/40/60/627584060.db2.gz ACKUOUIHBXCVNP-SNVBAGLBSA-N -1 1 267.756 3.450 20 0 CGADMM Cc1cccc(COC(=O)c2ccc([O-])cc2F)c1 ZINC000773578300 627897990 /nfs/dbraw/zinc/89/79/90/627897990.db2.gz FVHNAYNDXGLABJ-UHFFFAOYSA-N -1 1 260.264 3.197 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CC[C@H](C)C2)c1 ZINC000776409839 628206880 /nfs/dbraw/zinc/20/68/80/628206880.db2.gz CDVPAKJASHLORY-XHDPSFHLSA-N -1 1 290.359 3.117 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CC[C@@H](C)C2)c1 ZINC000776409830 628206961 /nfs/dbraw/zinc/20/69/61/628206961.db2.gz CDVPAKJASHLORY-ABAIWWIYSA-N -1 1 290.359 3.117 20 0 CGADMM O=C(C[C@@H]1OCCc2ccccc21)[N-]OC1CCCCC1 ZINC000777949205 628313770 /nfs/dbraw/zinc/31/37/70/628313770.db2.gz KOGRDSVAJCWBCF-INIZCTEOSA-N -1 1 289.375 3.071 20 0 CGADMM C[C@@H](OC(=O)c1cn[n-]n1)c1ccc(C(C)(C)C)cc1 ZINC000805603579 628337372 /nfs/dbraw/zinc/33/73/72/628337372.db2.gz LLRCWBBTKPVLOQ-SNVBAGLBSA-N -1 1 273.336 3.020 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H](F)Cc1ccccc1 ZINC000778404883 628349414 /nfs/dbraw/zinc/34/94/14/628349414.db2.gz VMAXCHCTSOAHPZ-LBPRGKRZSA-N -1 1 277.270 3.051 20 0 CGADMM CCN(C)[C@H](C(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000779322355 628408196 /nfs/dbraw/zinc/40/81/96/628408196.db2.gz NFIMRHQBZAPJBF-INIZCTEOSA-N -1 1 290.407 3.060 20 0 CGADMM O=C(/C=C/c1ccsc1)Nc1nc(Cl)ccc1[O-] ZINC000790052336 629180686 /nfs/dbraw/zinc/18/06/86/629180686.db2.gz UYOGKJNFXJTNAM-DAFODLJHSA-N -1 1 280.736 3.154 20 0 CGADMM O=C(CC[C@H]1CC1(Cl)Cl)Nc1cccc(F)c1[O-] ZINC000863008456 629459512 /nfs/dbraw/zinc/45/95/12/629459512.db2.gz STLPGGBGRVUHFD-ZETCQYMHSA-N -1 1 292.137 3.444 20 0 CGADMM C/C(=C/C(C)(C)C)C(=O)Nc1cccc(F)c1[O-] ZINC000863010269 629460512 /nfs/dbraw/zinc/46/05/12/629460512.db2.gz QWOPTDVXDFJYNP-HJWRWDBZSA-N -1 1 251.301 3.462 20 0 CGADMM C[C@H]1CCC[C@@H](C2CN(c3cc(Cl)[n-]c(=O)n3)C2)C1 ZINC000864091702 629766652 /nfs/dbraw/zinc/76/66/52/629766652.db2.gz HMJUGIMNCQXCQV-VHSXEESVSA-N -1 1 281.787 3.098 20 0 CGADMM COC(=O)c1ccc(C(=O)O[C@H](C)c2ccccc2C)[n-]1 ZINC000796347678 629768972 /nfs/dbraw/zinc/76/89/72/629768972.db2.gz XTSBHRDMRXNRNW-LLVKDONJSA-N -1 1 287.315 3.028 20 0 CGADMM COC(=O)c1c[n-]c(SCCCSC(C)(C)C)n1 ZINC000865363184 630074857 /nfs/dbraw/zinc/07/48/57/630074857.db2.gz JBEWUGNIGFSFEJ-UHFFFAOYSA-N -1 1 288.438 3.210 20 0 CGADMM CCc1nc(SCc2coc(C3CC3)n2)[n-]c(=O)c1C ZINC000865369779 630079548 /nfs/dbraw/zinc/07/95/48/630079548.db2.gz BRJCXOWWBGZPIN-UHFFFAOYSA-N -1 1 291.376 3.211 20 0 CGADMM CSc1ccccc1[C@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000799403994 630178484 /nfs/dbraw/zinc/17/84/84/630178484.db2.gz OFKLAIPRHXQXDM-ZETCQYMHSA-N -1 1 295.301 3.486 20 0 CGADMM O=C([N-]c1cnoc1)c1cc(F)c(C(F)(F)F)cc1F ZINC000804330857 630520892 /nfs/dbraw/zinc/52/08/92/630520892.db2.gz FQEXPINKVMZMQK-UHFFFAOYSA-N -1 1 292.163 3.224 20 0 CGADMM O=C([N-][C@H]1CCCC1(F)F)C(F)(F)c1ccc(F)cc1 ZINC000807854454 630600930 /nfs/dbraw/zinc/60/09/30/630600930.db2.gz YRBGXENBXHFQEW-JTQLQIEISA-N -1 1 293.235 3.222 20 0 CGADMM C[C@@H](N(C)C(=O)NCc1ccc([O-])c(Cl)c1)C1(C)CC1 ZINC000876392846 634826460 /nfs/dbraw/zinc/82/64/60/634826460.db2.gz ATISBYGOKSHFLH-SNVBAGLBSA-N -1 1 296.798 3.376 20 0 CGADMM CN(C(=O)NCc1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000876392834 634826930 /nfs/dbraw/zinc/82/69/30/634826930.db2.gz ADSRKVKZNBJYQK-UHFFFAOYSA-N -1 1 282.771 3.130 20 0 CGADMM Cc1ccc2c(c1)/C(=C/c1ccc([O-])c(F)c1)C(=O)N2C ZINC000811696801 631111616 /nfs/dbraw/zinc/11/16/16/631111616.db2.gz AEXILAOPXWWSEX-JYRVWZFOSA-N -1 1 283.302 3.357 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC000811836308 631125892 /nfs/dbraw/zinc/12/58/92/631125892.db2.gz NJRNRYGYZNXBPH-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM O=C(CCCC1CC1)Nc1nc(Br)ccc1[O-] ZINC000812536537 631271955 /nfs/dbraw/zinc/27/19/55/631271955.db2.gz GCMQDORRMDYXOM-UHFFFAOYSA-N -1 1 299.168 3.069 20 0 CGADMM O=C([O-])CC[C@H]1CCCCN1Cc1cnc(Cl)s1 ZINC000818329412 632307241 /nfs/dbraw/zinc/30/72/41/632307241.db2.gz WWGQIBAGPGLUNT-SECBINFHSA-N -1 1 288.800 3.016 20 0 CGADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)CCO1 ZINC000821980291 632851880 /nfs/dbraw/zinc/85/18/80/632851880.db2.gz MRVWFXXEGSVDNA-CABZTGNLSA-N -1 1 299.317 3.060 20 0 CGADMM CC1(CCC(=O)Nc2cc(F)cc(F)c2[O-])CC1 ZINC000822972244 633044099 /nfs/dbraw/zinc/04/40/99/633044099.db2.gz QHRARGXTUYGAAJ-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM C[C@@H]([N-]c1nnc(C(F)F)o1)c1cc2cnccc2o1 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C[C@@H](C(=O)[N-]OCCCC(F)(F)F)c1cccc(F)c1 ZINC000871212878 633729473 /nfs/dbraw/zinc/72/94/73/633729473.db2.gz HPUJIWNDBFYKEP-SECBINFHSA-N -1 1 293.260 3.320 20 0 CGADMM CCc1c(=O)n(-c2ncccc2C)[n-]c1-c1cccc(C)c1 ZINC000871955300 633925292 /nfs/dbraw/zinc/92/52/92/633925292.db2.gz MTRFHGBVPBBVGK-HNNXBMFYSA-N -1 1 293.370 3.476 20 0 CGADMM CC(C)c1c(Cl)ncnc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000871957334 633927005 /nfs/dbraw/zinc/92/70/05/633927005.db2.gz RQJLRQPKWOLHHO-GZMMTYOYSA-N -1 1 292.770 3.002 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000834825204 634248459 /nfs/dbraw/zinc/24/84/59/634248459.db2.gz IWEXNQCMBIYILF-KOLCDFICSA-N -1 1 267.756 3.098 20 0 CGADMM CC1(C)CCC[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834826033 634249054 /nfs/dbraw/zinc/24/90/54/634249054.db2.gz QADQISLCTLNSFO-NSHDSACASA-N -1 1 281.783 3.488 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC000834833992 634252688 /nfs/dbraw/zinc/25/26/88/634252688.db2.gz SEGPANUWTHHWPW-UHFFFAOYSA-N -1 1 267.756 3.242 20 0 CGADMM O=C([N-]CC1(Cc2cccc(Cl)c2)CC1)C(F)(F)F ZINC000837872265 635002859 /nfs/dbraw/zinc/00/28/59/635002859.db2.gz NCYXKFDNHKQNBT-UHFFFAOYSA-N -1 1 291.700 3.341 20 0 CGADMM CC1(C)CC[C@H](CC(=O)Nc2ccc(F)cc2[O-])OC1 ZINC000879183590 635720859 /nfs/dbraw/zinc/72/08/59/635720859.db2.gz QOEGGLSQKKFUED-LLVKDONJSA-N -1 1 281.327 3.065 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC1(CC2CC2)CC1 ZINC000881520808 636127313 /nfs/dbraw/zinc/12/73/13/636127313.db2.gz JUXXAXKXZDINIB-UHFFFAOYSA-N -1 1 293.794 3.285 20 0 CGADMM Cc1oc(CN(C)CCSC(C)(C)C)cc1C(=O)[O-] ZINC000846259804 636169060 /nfs/dbraw/zinc/16/90/60/636169060.db2.gz AIJCPIAYOPSQFL-UHFFFAOYSA-N -1 1 285.409 3.250 20 0 CGADMM O=C(NC1(C2CCC2)CC1)c1c([O-])cccc1Cl ZINC000846477832 636188835 /nfs/dbraw/zinc/18/88/35/636188835.db2.gz LHHUPMRNKXYAFZ-UHFFFAOYSA-N -1 1 265.740 3.108 20 0 CGADMM COC[C@@H](CC(C)(C)C)NC(=O)c1c([O-])cccc1Cl ZINC000848311600 636559716 /nfs/dbraw/zinc/55/97/16/636559716.db2.gz IUFPEJUFWRUCHG-SNVBAGLBSA-N -1 1 299.798 3.227 20 0 CGADMM CCCC[C@H](C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886268036 637472959 /nfs/dbraw/zinc/47/29/59/637472959.db2.gz AOCPLYVRTJLBKL-JTQLQIEISA-N -1 1 285.334 3.155 20 0 CGADMM CCC[C@H](CC)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886271335 637476615 /nfs/dbraw/zinc/47/66/15/637476615.db2.gz FPDRAEYHVHPZOU-JTQLQIEISA-N -1 1 285.334 3.155 20 0 CGADMM CCC(C)(C)OCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678818 638048619 /nfs/dbraw/zinc/04/86/19/638048619.db2.gz WJJDNXOFLYCRRZ-UHFFFAOYSA-N -1 1 289.734 3.328 20 0 CGADMM C[C@@]1(c2nc(-c3ccc([O-])c(F)c3)no2)C=CCC1 ZINC000924005953 638288787 /nfs/dbraw/zinc/28/87/87/638288787.db2.gz HFFHUAOLJZMNKJ-CQSZACIVSA-N -1 1 260.268 3.189 20 0 CGADMM C[C@@H]1CCCC[C@@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858365046 638694563 /nfs/dbraw/zinc/69/45/63/638694563.db2.gz YAYLVSNBRWGVDV-RKDXNWHRSA-N -1 1 255.749 3.074 20 0 CGADMM Cc1ccnc(NC(=O)c2cc(F)ccc2[O-])c1C1CC1 ZINC000926107961 638706241 /nfs/dbraw/zinc/70/62/41/638706241.db2.gz GDPRRDXMNUPECN-UHFFFAOYSA-N 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/nfs/dbraw/zinc/59/97/85/805599785.db2.gz VKGRJTLOWKJWOO-UHFFFAOYSA-N -1 1 296.370 3.265 20 0 CGADMM Cc1ccc2ccc(C(=O)N[C@@H](C)C(C)C)c([O-])c2n1 ZINC001155652261 805599909 /nfs/dbraw/zinc/59/99/09/805599909.db2.gz OYEVMKJYHVTPNF-NSHDSACASA-N -1 1 272.348 3.023 20 0 CGADMM COc1ccc(F)cc1-c1cc(F)c([O-])cc1F ZINC001250623368 805733236 /nfs/dbraw/zinc/73/32/36/805733236.db2.gz QICWLMVNSSGTAW-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM Cc1[nH]c(-c2nc3ccc(C)cc3[nH]2)c(C)c1C(=O)[O-] ZINC001250876741 805791047 /nfs/dbraw/zinc/79/10/47/805791047.db2.gz MUYPLEGZQRFJIO-UHFFFAOYSA-N -1 1 269.304 3.181 20 0 CGADMM Cc1ccc2nc(-c3cc(C(=O)[O-])ccc3O)[nH]c2c1C ZINC001251023272 805831761 /nfs/dbraw/zinc/83/17/61/805831761.db2.gz LAYVMBBRDVBYRX-UHFFFAOYSA-N -1 1 282.299 3.251 20 0 CGADMM [O-]c1cc(-c2nc3cc4c(cc3[nH]2)OCC4)cc(F)c1F ZINC001251239820 805868446 /nfs/dbraw/zinc/86/84/46/805868446.db2.gz AEHWREHBSAGVEN-UHFFFAOYSA-N -1 1 288.253 3.149 20 0 CGADMM O=C(CCc1ccc(F)cc1)Nc1ccc([O-])c(F)c1F ZINC001157805719 805874425 /nfs/dbraw/zinc/87/44/25/805874425.db2.gz NAQAUESQNVWKDH-UHFFFAOYSA-N -1 1 295.260 3.381 20 0 CGADMM Cn1c2ccc(F)cc2nc1-c1ccc(F)c([O-])c1 ZINC001251477141 805900374 /nfs/dbraw/zinc/90/03/74/805900374.db2.gz HCXFAZAQPFPQTI-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM [O-]c1ccc(-c2nnc(Cc3ccc(F)cc3)o2)cc1F ZINC001251924878 805954015 /nfs/dbraw/zinc/95/40/15/805954015.db2.gz JJBFCVLNULKIOB-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM CN(C)c1ccc(-c2nnc(-c3cc(F)ccc3[O-])o2)cc1 ZINC001252357541 806040239 /nfs/dbraw/zinc/04/02/39/806040239.db2.gz DQQNGIMSSMRLSM-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM CC(C)S(=O)(=O)[N-]c1cc2ccccc2s1 ZINC001252427770 806046894 /nfs/dbraw/zinc/04/68/94/806046894.db2.gz SROXUOLEPSBIRX-UHFFFAOYSA-N -1 1 255.364 3.051 20 0 CGADMM COc1cc(Cl)c(NC(=O)c2ccc([O-])cn2)cc1C ZINC001160802165 806304047 /nfs/dbraw/zinc/30/40/47/806304047.db2.gz VZMTWMZPWONBGD-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM CC1(C)C(C)(C)C1(C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001161179879 806357364 /nfs/dbraw/zinc/35/73/64/806357364.db2.gz XEXVQNBVSCZZFD-UHFFFAOYSA-N -1 1 282.771 3.451 20 0 CGADMM [O-]c1c(-c2nnc([C@@H]3CCOC3)o2)ccc2ccccc21 ZINC001255518305 806660904 /nfs/dbraw/zinc/66/09/04/806660904.db2.gz YBSPTIZGSLKQSA-LLVKDONJSA-N -1 1 282.299 3.099 20 0 CGADMM CCCOC(=O)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000084830999 798941832 /nfs/dbraw/zinc/94/18/32/798941832.db2.gz FJFBOPIGZQIFMH-UHFFFAOYSA-N -1 1 299.326 3.211 20 0 CGADMM COc1cccc(NC(=O)Nc2cccc(F)c2[O-])c1 ZINC000169113287 799087078 /nfs/dbraw/zinc/08/70/78/799087078.db2.gz MJFOIACSTCVNLU-UHFFFAOYSA-N -1 1 276.267 3.184 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000383894863 799410553 /nfs/dbraw/zinc/41/05/53/799410553.db2.gz ILRVTQTXDVULKX-PHIMTYICSA-N -1 1 277.751 3.084 20 0 CGADMM O=C([O-])[C@H]1CC12CCN(Cc1cc(Cl)cs1)CC2 ZINC000405420691 799585092 /nfs/dbraw/zinc/58/50/92/799585092.db2.gz SFBHENCYGZRYKH-LLVKDONJSA-N -1 1 285.796 3.088 20 0 CGADMM O=C([N-]c1c(F)cccc1F)c1csc(Cl)n1 ZINC000692730392 799798022 /nfs/dbraw/zinc/79/80/22/799798022.db2.gz XMTHWIGADOUMJB-UHFFFAOYSA-N -1 1 274.679 3.327 20 0 CGADMM Cc1cc(CN2CCc3ccsc3[C@@H]2C)oc1C(=O)[O-] ZINC000712342499 800083838 /nfs/dbraw/zinc/08/38/38/800083838.db2.gz XJLYLKUGHXNHPM-JTQLQIEISA-N -1 1 291.372 3.467 20 0 CGADMM C[C@H]1c2sccc2CCN1Cc1ccc(C(=O)[O-])o1 ZINC000712323680 800084356 /nfs/dbraw/zinc/08/43/56/800084356.db2.gz ANWBSWLOLTWGOB-VIFPVBQESA-N -1 1 277.345 3.159 20 0 CGADMM CN(CCC1CC1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000823636260 800467931 /nfs/dbraw/zinc/46/79/31/800467931.db2.gz CZIHDDKXBFPADB-UHFFFAOYSA-N -1 1 285.343 3.123 20 0 CGADMM Cc1cc(=O)n(-c2ccc(-c3nnc(CC(C)C)o3)cc2)[n-]1 ZINC001256412105 806888457 /nfs/dbraw/zinc/88/84/57/806888457.db2.gz CSGUFHGIIBNHHH-UHFFFAOYSA-N -1 1 298.346 3.048 20 0 CGADMM Cc1ccc(-c2nnc(-c3ccc(O)cc3[O-])o2)cc1C ZINC001256532025 806911431 /nfs/dbraw/zinc/91/14/31/806911431.db2.gz XIROBTWJPYVYLP-UHFFFAOYSA-N -1 1 282.299 3.432 20 0 CGADMM Cc1ccc2ccc(-c3nnc([C@H]4C[C@@H]4C)o3)c([O-])c2n1 ZINC001256649222 806940142 /nfs/dbraw/zinc/94/01/42/806940142.db2.gz WHRJCLCGYNOXIV-UFBFGSQYSA-N -1 1 281.315 3.422 20 0 CGADMM Cc1ccc2ccc(-c3nnc([C@@H]4C[C@H]4C)o3)c([O-])c2n1 ZINC001256649218 806940155 /nfs/dbraw/zinc/94/01/55/806940155.db2.gz WHRJCLCGYNOXIV-PRHODGIISA-N -1 1 281.315 3.422 20 0 CGADMM COc1cc(-c2cc(F)c([O-])c(F)c2)cnc1C ZINC001244097524 803185296 /nfs/dbraw/zinc/18/52/96/803185296.db2.gz WIIFSDCNKYWNRC-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CC(C)n1cc(-c2cc(F)c([O-])c(F)c2)ccc1=O ZINC001244098279 803186408 /nfs/dbraw/zinc/18/64/08/803186408.db2.gz WVIFRPUAHJPBFQ-UHFFFAOYSA-N -1 1 265.259 3.080 20 0 CGADMM O=C([O-])CCc1ccc(-c2ccc3cncn3c2)cc1 ZINC001244185427 803231194 /nfs/dbraw/zinc/23/11/94/803231194.db2.gz DEUPRBPJQCLTMH-UHFFFAOYSA-N -1 1 266.300 3.019 20 0 CGADMM CCOc1ccc(C(=O)[O-])cc1-c1cccc2nc[nH]c21 ZINC001244420975 803361717 /nfs/dbraw/zinc/36/17/17/803361717.db2.gz PIIYTFFRDWCWND-UHFFFAOYSA-N -1 1 282.299 3.327 20 0 CGADMM COc1ccc(-c2ccc(OC(F)(F)F)cc2[O-])nc1 ZINC001244464509 803380880 /nfs/dbraw/zinc/38/08/80/803380880.db2.gz QDZHXLUVPLPGBS-UHFFFAOYSA-N -1 1 285.221 3.361 20 0 CGADMM O=c1ccc(-c2ccc(Cl)cc2[O-])nn1-c1ccccc1 ZINC001244471224 803387315 /nfs/dbraw/zinc/38/73/15/803387315.db2.gz AOSJPYKMRAKATI-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM CC(=O)Nc1cccc(-c2cc(C)c([O-])c(Cl)c2)n1 ZINC001244530942 803422094 /nfs/dbraw/zinc/42/20/94/803422094.db2.gz DUAYIGCTPZYCSD-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM CC(=O)NCc1ccc(-c2cc(C)c([O-])c(Cl)c2)nc1 ZINC001244537097 803424286 /nfs/dbraw/zinc/42/42/86/803424286.db2.gz VKOAEWXLFHBOQY-UHFFFAOYSA-N -1 1 290.750 3.052 20 0 CGADMM Cc1cc(-c2c(Cl)ccc([O-])c2F)nc(C)n1 ZINC001244538017 803425195 /nfs/dbraw/zinc/42/51/95/803425195.db2.gz JZEZGJGEGLDWKC-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM CCOC(=O)c1ccc(-c2c(Cl)ccc([O-])c2F)nc1 ZINC001244537405 803425203 /nfs/dbraw/zinc/42/52/03/803425203.db2.gz CJKHCPBYIKMCHG-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM Cc1cc(N(C)C)nc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244540012 803428511 /nfs/dbraw/zinc/42/85/11/803428511.db2.gz FAUINGVOYRIZQE-UHFFFAOYSA-N -1 1 281.718 3.016 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccc3ncnn3c2F)c1F ZINC001244541893 803429002 /nfs/dbraw/zinc/42/90/02/803429002.db2.gz VFFSNFRGEWVUIU-UHFFFAOYSA-N -1 1 281.649 3.034 20 0 CGADMM CNC(=O)c1cccc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244541384 803429157 /nfs/dbraw/zinc/42/91/57/803429157.db2.gz PBENSMAQMLSING-UHFFFAOYSA-N -1 1 279.698 3.211 20 0 CGADMM [O-]c1c(Cl)ccc(-c2cccc3[nH]nnc32)c1F ZINC001244632466 803474792 /nfs/dbraw/zinc/47/47/92/803474792.db2.gz QMDIGXAKIZXGKU-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)Cc2ccccc2C)c1 ZINC001135250353 803583390 /nfs/dbraw/zinc/58/33/90/803583390.db2.gz KXEJCSNOXUHSGS-UHFFFAOYSA-N -1 1 297.354 3.094 20 0 CGADMM NC(=O)c1cc2ccccc2c(-c2cc(Cl)ccc2[O-])n1 ZINC001245050539 803622755 /nfs/dbraw/zinc/62/27/55/803622755.db2.gz USFDDSNJNXDOCE-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc([O-])cn2)c1C ZINC001136907357 803660028 /nfs/dbraw/zinc/66/00/28/803660028.db2.gz ILVHIQAUVCUUAQ-KRWDZBQOSA-N -1 1 296.370 3.381 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)c([O-])c1 ZINC001137191681 803695288 /nfs/dbraw/zinc/69/52/88/803695288.db2.gz MYHKJQWVPDKZJM-NWDGAFQWSA-N -1 1 276.380 3.040 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cccc([O-])c2F)CC12CCC2 ZINC001137842681 803782402 /nfs/dbraw/zinc/78/24/02/803782402.db2.gz ZCNCFRLWZZHQQS-LLVKDONJSA-N -1 1 277.339 3.184 20 0 CGADMM C[C@H](NC(=O)c1ncc2ccccc2c1[O-])c1cccs1 ZINC001138261291 803886929 /nfs/dbraw/zinc/88/69/29/803886929.db2.gz OSBKPTCLRDXVHL-JTQLQIEISA-N -1 1 298.367 3.493 20 0 CGADMM Cc1c(C)c(-c2ccc3c(c2)CC(=O)[N-]C3=O)ccc1Cl ZINC001245690212 803912026 /nfs/dbraw/zinc/91/20/26/803912026.db2.gz NNUIZBBTVFRDCE-UHFFFAOYSA-N -1 1 299.757 3.436 20 0 CGADMM Cc1ncnc(-c2c(F)ccc([O-])c2Cl)c1C ZINC001245827322 803983013 /nfs/dbraw/zinc/98/30/13/803983013.db2.gz KFYKTYZRDNKIFG-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM COc1c(F)nccc1-c1c(F)ccc([O-])c1Cl ZINC001245833034 803987852 /nfs/dbraw/zinc/98/78/52/803987852.db2.gz RWJBDESDNVYJOU-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM O=c1cc(-c2c(F)ccc([O-])c2Cl)ccn1CC1CC1 ZINC001245835576 803987990 /nfs/dbraw/zinc/98/79/90/803987990.db2.gz SRMYNKFCMUZKIK-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM COC(=O)c1ncc(F)cc1-c1c(F)ccc([O-])c1Cl ZINC001245835613 803988080 /nfs/dbraw/zinc/98/80/80/803988080.db2.gz UQXXPNDBGMXEFZ-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM CCCc1cc(=O)n(-c2cc(Cl)ccc2C)[n-]1 ZINC001245923233 804051282 /nfs/dbraw/zinc/05/12/82/804051282.db2.gz DWPXVMSXSNPXAU-UHFFFAOYSA-N -1 1 250.729 3.492 20 0 CGADMM C[C@@]1(CF)CC(F)(F)CN1Cc1ccc([O-])c(F)c1F ZINC001140888890 804542031 /nfs/dbraw/zinc/54/20/31/804542031.db2.gz ZTFFITDADAVHSJ-LBPRGKRZSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1ccc(CN2CC[C@@H](CF)C(F)(F)C2)c(F)c1F ZINC001140889615 804543080 /nfs/dbraw/zinc/54/30/80/804543080.db2.gz IOMYOSXVDZNNDX-VIFPVBQESA-N -1 1 295.251 3.097 20 0 CGADMM CN(Cc1cccs1)Cc1ccc([O-])c(F)c1F ZINC001140893748 804544513 /nfs/dbraw/zinc/54/45/13/804544513.db2.gz GZRIJQCKZDAGEE-UHFFFAOYSA-N -1 1 269.316 3.364 20 0 CGADMM CC1(F)CCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001142647097 804748020 /nfs/dbraw/zinc/74/80/20/804748020.db2.gz NYTJNVCSAFCHEC-UHFFFAOYSA-N -1 1 285.746 3.362 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H]2C(F)(F)F)c(F)c1 ZINC001144544778 805001059 /nfs/dbraw/zinc/00/10/59/805001059.db2.gz GUWLFXOSXUBUIW-NSHDSACASA-N -1 1 281.224 3.197 20 0 CGADMM [O-]c1cc(F)c(CN2CCc3c(F)cccc3C2)c(F)c1 ZINC001144560271 805006373 /nfs/dbraw/zinc/00/63/73/805006373.db2.gz YKKOCZUMNSBYDA-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM C[C@@H]1c2cccn2CCN1Cc1c(F)cc([O-])cc1F ZINC001144559203 805007386 /nfs/dbraw/zinc/00/73/86/805007386.db2.gz LPPGTXSSMYDZGS-SNVBAGLBSA-N -1 1 278.302 3.049 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@H](F)C(F)(F)C2)cc1F ZINC001144648456 805022310 /nfs/dbraw/zinc/02/23/10/805022310.db2.gz UAEDPNJQGVASMX-GFCCVEGCSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H](F)C(F)(F)C2)cc1F ZINC001144648457 805023338 /nfs/dbraw/zinc/02/33/38/805023338.db2.gz UAEDPNJQGVASMX-LBPRGKRZSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cc(F)c(CN2CCC(C(F)F)CC2)cc1F ZINC001144657851 805024477 /nfs/dbraw/zinc/02/44/77/805024477.db2.gz KYUBORNPKDQUSK-UHFFFAOYSA-N -1 1 277.261 3.148 20 0 CGADMM COc1ccccc1CN(C)Cc1cc(F)c([O-])cc1F ZINC001144666433 805027185 /nfs/dbraw/zinc/02/71/85/805027185.db2.gz ILWJJYHHWNHNBO-UHFFFAOYSA-N -1 1 293.313 3.311 20 0 CGADMM O=C(Nc1ccc(O)cc1Cl)c1cccc([O-])c1F ZINC001147093215 805108575 /nfs/dbraw/zinc/10/85/75/805108575.db2.gz CSTYJJJXYLPCFM-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM Cc1ccc(C(=O)Nc2cccc3c2C(=O)CCC3)c([O-])c1 ZINC001148500369 805190876 /nfs/dbraw/zinc/19/08/76/805190876.db2.gz MLEKKGUSVDMQAS-UHFFFAOYSA-N -1 1 295.338 3.472 20 0 CGADMM Cc1c(N)c(F)ccc1Nc1c([O-])cc(F)cc1F ZINC001249636950 805196479 /nfs/dbraw/zinc/19/64/79/805196479.db2.gz QMNOOKWYALPYOA-UHFFFAOYSA-N -1 1 268.238 3.444 20 0 CGADMM COc1cccc(C(=O)Cc2cc(F)cc(F)c2[O-])c1 ZINC001249902516 805291567 /nfs/dbraw/zinc/29/15/67/805291567.db2.gz PVWJIXJSFCJDEF-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cccc2scnc21 ZINC001151779717 805311726 /nfs/dbraw/zinc/31/17/26/805311726.db2.gz KVQSXWCDXMLFNM-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM [O-]c1cc(Nc2c(F)cnc(F)c2F)c(F)c(F)c1F ZINC001249957939 805324801 /nfs/dbraw/zinc/32/48/01/805324801.db2.gz HDBBVKNHDDDVCH-UHFFFAOYSA-N -1 1 294.154 3.365 20 0 CGADMM CCn1cc(Nc2cc([O-])c(F)c(F)c2F)c(C)n1 ZINC001249959476 805326836 /nfs/dbraw/zinc/32/68/36/805326836.db2.gz USZFLOHESBGPKL-UHFFFAOYSA-N -1 1 271.242 3.078 20 0 CGADMM [O-]c1cc(Nc2nccnc2C2CC2)c(F)c(F)c1F ZINC001249959199 805327067 /nfs/dbraw/zinc/32/70/67/805327067.db2.gz XPEWMMYXIHDMTG-UHFFFAOYSA-N -1 1 281.237 3.221 20 0 CGADMM Nc1cccc2ccn(-c3cc([O-])c(F)c(F)c3F)c21 ZINC001249965599 805332016 /nfs/dbraw/zinc/33/20/16/805332016.db2.gz CFGHBPMDUQFSAO-UHFFFAOYSA-N -1 1 278.233 3.336 20 0 CGADMM Nc1cccc2c1N(c1cc([O-])c(F)c(F)c1F)CC2 ZINC001249966107 805332058 /nfs/dbraw/zinc/33/20/58/805332058.db2.gz AFCZOOGTYDOFTQ-UHFFFAOYSA-N -1 1 280.249 3.086 20 0 CGADMM CCOC(=O)CCCCc1c(F)ccc([O-])c1Cl ZINC001249981191 805341896 /nfs/dbraw/zinc/34/18/96/805341896.db2.gz JOLVDQMORLUANG-UHFFFAOYSA-N -1 1 274.719 3.461 20 0 CGADMM [O-]c1cc(F)c(COCc2ccccc2)c(F)c1 ZINC001249997539 805354971 /nfs/dbraw/zinc/35/49/71/805354971.db2.gz JMJQASKUTRURJW-UHFFFAOYSA-N -1 1 250.244 3.387 20 0 CGADMM [O-]c1c(Cl)cc(Cl)cc1Nc1ccc2nncn2c1 ZINC001250008701 805364249 /nfs/dbraw/zinc/36/42/49/805364249.db2.gz XXNMRXVLRNOONB-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM Cc1nn(C)c(C)c1Nc1cc(Cl)c([O-])cc1F ZINC001250020821 805371225 /nfs/dbraw/zinc/37/12/25/805371225.db2.gz SARYIGISQWPPLN-UHFFFAOYSA-N -1 1 269.707 3.279 20 0 CGADMM Nc1ccc(Nc2cc(Cl)c([O-])cc2F)c(CCO)c1 ZINC001250023871 805375164 /nfs/dbraw/zinc/37/51/64/805375164.db2.gz FZRNUCQQHWIBGA-UHFFFAOYSA-N -1 1 296.729 3.045 20 0 CGADMM O=C(Nc1cccc(-c2ncco2)c1)c1cccc([O-])c1F ZINC001153217974 805387400 /nfs/dbraw/zinc/38/74/00/805387400.db2.gz KVPVKQXGPJHEED-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM C[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])c1ccc[nH]1 ZINC001153409637 805396290 /nfs/dbraw/zinc/39/62/90/805396290.db2.gz YQLMWKAXQRRXNB-JTQLQIEISA-N -1 1 296.326 3.070 20 0 CGADMM CSc1ccc(F)c(C)c1[N-]c1nonc1C ZINC001250131965 805433938 /nfs/dbraw/zinc/43/39/38/805433938.db2.gz BHJXBBXQTYJKFP-UHFFFAOYSA-N -1 1 253.302 3.291 20 0 CGADMM O=C(Cc1cc(F)c([O-])c(F)c1)c1ccc(F)cc1 ZINC001250134909 805436662 /nfs/dbraw/zinc/43/66/62/805436662.db2.gz ATCBPEUZXYWZCC-UHFFFAOYSA-N -1 1 266.218 3.235 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N[C@@H]3C[C@H]3C3CC3)cc2c1 ZINC001154761159 805483239 /nfs/dbraw/zinc/48/32/39/805483239.db2.gz ZBZBDRZTEMKDDE-GOEBONIOSA-N -1 1 297.354 3.082 20 0 CGADMM COc1ccc(Nc2c(F)ccc([O-])c2Cl)c(CO)c1 ZINC001250232188 805506171 /nfs/dbraw/zinc/50/61/71/805506171.db2.gz CSDFBGBKMQIXBF-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM Nc1ccc2ncn(-c3c(F)ccc([O-])c3Cl)c2c1 ZINC001250233035 805508099 /nfs/dbraw/zinc/50/80/99/805508099.db2.gz HONABTIDDMAACR-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM O=C(Nc1cccc2cc[nH]c21)c1c(F)ccc([O-])c1F ZINC001155035103 805527772 /nfs/dbraw/zinc/52/77/72/805527772.db2.gz ZYILUKCJBAVPHN-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM Cc1ccc(-c2noc(-c3ccncc3[O-])n2)cc1Cl ZINC001212721522 815114161 /nfs/dbraw/zinc/11/41/61/815114161.db2.gz VBZAXLBSKOBXTI-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2cncc3ccccc32)no1 ZINC001212722501 815115144 /nfs/dbraw/zinc/11/51/44/815115144.db2.gz KUXHOXQHCMFKJD-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM CC(C)(C)c1ccnc(-c2noc(-c3ccncc3[O-])n2)c1 ZINC001212722355 815115156 /nfs/dbraw/zinc/11/51/56/815115156.db2.gz BNTQKMZBRALNAU-UHFFFAOYSA-N -1 1 296.330 3.197 20 0 CGADMM CCn1nc(C)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC001169549573 807664199 /nfs/dbraw/zinc/66/41/99/807664199.db2.gz ARULLOJMDFDTAZ-UHFFFAOYSA-N -1 1 295.342 3.323 20 0 CGADMM O=S(=O)([N-]c1cc(-c2ccccc2)cs1)C1CC1 ZINC001259270679 807677642 /nfs/dbraw/zinc/67/76/42/807677642.db2.gz FOBSJROCMZOOET-UHFFFAOYSA-N -1 1 279.386 3.319 20 0 CGADMM CC(C)C[C@@H]([N-]S(=O)(=O)C(F)F)c1cccc(F)c1 ZINC001259961443 807695448 /nfs/dbraw/zinc/69/54/48/807695448.db2.gz IMQLWCVMSOUKMK-LLVKDONJSA-N -1 1 295.326 3.055 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1cccc2ccc(C)nc21 ZINC001260738298 807702216 /nfs/dbraw/zinc/70/22/16/807702216.db2.gz LWSYZYAHZAJHHE-NSHDSACASA-N -1 1 278.377 3.083 20 0 CGADMM Cc1cccc(CC(=O)Nc2cccc(F)c2[O-])c1 ZINC001171632857 808109606 /nfs/dbraw/zinc/10/96/06/808109606.db2.gz TTXFWZMSKUXXIH-UHFFFAOYSA-N -1 1 259.280 3.021 20 0 CGADMM O=c1ccn(-c2ccc(Nc3cccc4[nH]cnc43)cc2)[n-]1 ZINC001213034670 815208178 /nfs/dbraw/zinc/20/81/78/815208178.db2.gz WPRAHYYBUDBDOP-UHFFFAOYSA-N -1 1 291.314 3.198 20 0 CGADMM COc1ccc(Nc2ccnc(Cl)c2[O-])cc1F ZINC001173862828 808721292 /nfs/dbraw/zinc/72/12/92/808721292.db2.gz KHLRJHUFDUWNMK-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM COc1cccc(OC)c1Nc1ccnc(Cl)c1[O-] ZINC001173923727 808763091 /nfs/dbraw/zinc/76/30/91/808763091.db2.gz WKAPKOXFDQNIIG-UHFFFAOYSA-N -1 1 280.711 3.201 20 0 CGADMM COc1cc(F)ccc1[N-]c1nnc(-c2ccco2)o1 ZINC001174127988 808879562 /nfs/dbraw/zinc/87/95/62/808879562.db2.gz HPIGLSWQYNNJCP-UHFFFAOYSA-N -1 1 275.239 3.221 20 0 CGADMM CC(=O)NCc1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001174235682 808917828 /nfs/dbraw/zinc/91/78/28/808917828.db2.gz VIRMPQFUYVWWQO-UHFFFAOYSA-N -1 1 292.285 3.050 20 0 CGADMM Cc1c(Nc2c(Cl)ccc([O-])c2Cl)cnn1C ZINC001174390772 808990175 /nfs/dbraw/zinc/99/01/75/808990175.db2.gz RBANXSPKVMZGCP-UHFFFAOYSA-N -1 1 272.135 3.485 20 0 CGADMM Cc1n[nH]cc1Nc1c(Cl)ccc([O-])c1Cl ZINC001174476926 809031989 /nfs/dbraw/zinc/03/19/89/809031989.db2.gz UGYFPPGVWLPMRD-UHFFFAOYSA-N -1 1 258.108 3.474 20 0 CGADMM C[C@H]1CCC[C@H](C2CN(C(=O)c3ccc([O-])cc3F)C2)C1 ZINC001174820967 809170628 /nfs/dbraw/zinc/17/06/28/809170628.db2.gz LWAXWHXKUFWQPK-RYUDHWBXSA-N -1 1 291.366 3.430 20 0 CGADMM Cc1cc(Nc2cc(Cl)cc(Cl)c2[O-])n(C)n1 ZINC001174824907 809172940 /nfs/dbraw/zinc/17/29/40/809172940.db2.gz XRWAVUVOAAADBP-UHFFFAOYSA-N -1 1 272.135 3.485 20 0 CGADMM CSc1nc(Nc2cccc3cccnc32)cc(=O)[n-]1 ZINC001174857513 809179987 /nfs/dbraw/zinc/17/99/87/809179987.db2.gz PZEHQMQIRWWLGT-UHFFFAOYSA-N -1 1 284.344 3.196 20 0 CGADMM COC(=O)c1cccc(Nc2cc(F)c([O-])c(F)c2)c1F ZINC001213386608 815275431 /nfs/dbraw/zinc/27/54/31/815275431.db2.gz LJKDOEVFHOSRES-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM Nc1cccc(C(=S)Nc2c(F)cc([O-])cc2F)c1 ZINC001175096800 809268904 /nfs/dbraw/zinc/26/89/04/809268904.db2.gz JQPGSKITTWGTCU-UHFFFAOYSA-N -1 1 280.299 3.040 20 0 CGADMM [O-]c1cc(Nc2cc(CO)ccc2F)cc(F)c1F ZINC001175131641 809283903 /nfs/dbraw/zinc/28/39/03/809283903.db2.gz KMMXKNVHLPKVHM-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM O=C(Nc1ccccc1-c1cccs1)c1cnncc1[O-] ZINC001290618912 809411101 /nfs/dbraw/zinc/41/11/01/809411101.db2.gz INXRCTHRBUUYRB-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM Cn1cc2cccc(Nc3c([O-])cc(F)cc3F)c2n1 ZINC001175459414 809413280 /nfs/dbraw/zinc/41/32/80/809413280.db2.gz XEPLYJBHRBEQPZ-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM CCC[C@H](NC(=O)c1cccc([O-])c1F)c1ccccn1 ZINC001293065783 809442333 /nfs/dbraw/zinc/44/23/33/809442333.db2.gz JYYAFSBMEBJUDP-ZDUSSCGKSA-N -1 1 288.322 3.198 20 0 CGADMM C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(F)c([O-])c1 ZINC001293464132 809448592 /nfs/dbraw/zinc/44/85/92/809448592.db2.gz VWWIIFKRNKLOFF-NWDGAFQWSA-N -1 1 279.355 3.478 20 0 CGADMM COc1ccc(Nc2cc([O-])c(Cl)cc2F)c(OC)n1 ZINC001175584571 809462562 /nfs/dbraw/zinc/46/25/62/809462562.db2.gz USBNNKDXRXSHSD-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM CC(C)[C@@H](CNC(=O)c1ncccc1[O-])Cc1ccccc1 ZINC001296635901 809506777 /nfs/dbraw/zinc/50/67/77/809506777.db2.gz UYNQAYRLPIYFBV-OAHLLOKOSA-N -1 1 298.386 3.032 20 0 CGADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ncccc1F ZINC001297217564 809514395 /nfs/dbraw/zinc/51/43/95/809514395.db2.gz KHAGGOVKVHCGOI-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM CC(C)(c1ccccc1)C1(NC(=O)c2ncccc2[O-])CC1 ZINC001297836329 809524017 /nfs/dbraw/zinc/52/40/17/809524017.db2.gz JEPAHUGXPKYNGA-UHFFFAOYSA-N -1 1 296.370 3.027 20 0 CGADMM CC[C@H]1CCC[C@@H]1CNC(=O)c1c([O-])cccc1F ZINC001298058731 809526808 /nfs/dbraw/zinc/52/68/08/809526808.db2.gz MCAWTLSMEBMFND-WDEREUQCSA-N -1 1 265.328 3.087 20 0 CGADMM Cc1cncc(/C=C/C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001298973647 809542854 /nfs/dbraw/zinc/54/28/54/809542854.db2.gz LOYYDYYQWGFBAY-NSCUHMNNSA-N -1 1 290.269 3.026 20 0 CGADMM O=C(/C=C/C=C(Cl)Cl)Nc1cc([O-])c(F)cc1F ZINC001298974527 809543062 /nfs/dbraw/zinc/54/30/62/809543062.db2.gz RGEZCXXIXOGPBK-HNQUOIGGSA-N -1 1 294.084 3.484 20 0 CGADMM COC(=O)c1cccc2nc([N-]c3cscn3)sc21 ZINC001175937060 809575190 /nfs/dbraw/zinc/57/51/90/809575190.db2.gz BPASXXCBYKCJHK-UHFFFAOYSA-N -1 1 291.357 3.283 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C(F)F)C2CCCCC2)c([O-])c1 ZINC001301062314 809579038 /nfs/dbraw/zinc/57/90/38/809579038.db2.gz ITXGLBNESDXQCE-GFCCVEGCSA-N -1 1 298.333 3.039 20 0 CGADMM Cc1cncc(Nc2ccc(F)c(F)c2[O-])c1C ZINC001213534132 815301134 /nfs/dbraw/zinc/30/11/34/815301134.db2.gz NWLSMHNWILFJCM-UHFFFAOYSA-N -1 1 250.248 3.426 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(F)c([O-])c2)Cc2ccccc21 ZINC001303332199 809608597 /nfs/dbraw/zinc/60/85/97/809608597.db2.gz SYTGRCGDRRQVML-LLVKDONJSA-N -1 1 285.318 3.291 20 0 CGADMM Cc1ccc(/C=C/n2[n-]c(=O)c3cc(N)ccc32)cc1 ZINC001176422428 809692546 /nfs/dbraw/zinc/69/25/46/809692546.db2.gz JSKNEVVHIBLPFE-CMDGGOBGSA-N -1 1 265.316 3.260 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc(F)cc2O)c1F ZINC001176669829 809739984 /nfs/dbraw/zinc/73/99/84/809739984.db2.gz LOKOBKMSLSMDJH-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM CCOc1ccc(N(C)C(=O)c2cccc([O-])c2F)cc1 ZINC001177153934 809783573 /nfs/dbraw/zinc/78/35/73/809783573.db2.gz ULUDNRLGJLRRPE-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM O=C(NCCC1CC=CC1)c1ccc2ccc(O)cc2c1[O-] ZINC001177361998 809795232 /nfs/dbraw/zinc/79/52/32/809795232.db2.gz BQXKDSJYULMOPY-UHFFFAOYSA-N -1 1 297.354 3.337 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(C(C)C)nc2)c([O-])c1 ZINC001178534800 809873691 /nfs/dbraw/zinc/87/36/91/809873691.db2.gz QLDBAKGSXQUFGI-UHFFFAOYSA-N -1 1 286.331 3.172 20 0 CGADMM C[C@@H]1CCCC[C@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178784684 809887770 /nfs/dbraw/zinc/88/77/70/809887770.db2.gz BMUMIAGOMVGESF-ZYHUDNBSSA-N -1 1 297.345 3.155 20 0 CGADMM CCOc1ncc(C)cc1NCc1ccc([O-])c(F)c1F ZINC001182043861 810091323 /nfs/dbraw/zinc/09/13/23/810091323.db2.gz PSSPIUINOBJXPF-UHFFFAOYSA-N -1 1 294.301 3.385 20 0 CGADMM CC(C)(C)c1nnc([N-]c2cccc3[nH]c(=O)ccc23)o1 ZINC001213967628 815352372 /nfs/dbraw/zinc/35/23/72/815352372.db2.gz ITCZLXJHMQOQNK-UHFFFAOYSA-N -1 1 284.319 3.365 20 0 CGADMM O=C(NCCc1ccccc1)Nc1c(F)cc([O-])cc1F ZINC001184948716 810224838 /nfs/dbraw/zinc/22/48/38/810224838.db2.gz HXDUOGSWKUABLU-UHFFFAOYSA-N -1 1 292.285 3.035 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCCC2(CC(F)C2)CC1 ZINC001186327052 810328875 /nfs/dbraw/zinc/32/88/75/810328875.db2.gz KLZZYUFKDQWOIA-UHFFFAOYSA-N -1 1 295.329 3.276 20 0 CGADMM C[C@@H](C[N-]C(=O)C(F)(F)F)c1nc2ccccc2s1 ZINC001188025586 810444423 /nfs/dbraw/zinc/44/44/23/810444423.db2.gz JCUKJEMPRMRCDB-ZETCQYMHSA-N -1 1 288.294 3.078 20 0 CGADMM O=S(=O)([N-]c1ccc2ccc(Cl)cc2n1)C1CCC1 ZINC001188104418 810454098 /nfs/dbraw/zinc/45/40/98/810454098.db2.gz GLTKMPIBWPZVRK-UHFFFAOYSA-N -1 1 296.779 3.182 20 0 CGADMM Cc1nc(SCCc2ccccc2F)[n-]c(=O)c1C ZINC001189061271 810540159 /nfs/dbraw/zinc/54/01/59/810540159.db2.gz MHWDTUFAURXOIC-UHFFFAOYSA-N -1 1 278.352 3.273 20 0 CGADMM O=S(=O)(CCCF)[N-]c1cc2ccccc2s1 ZINC001189868643 810592505 /nfs/dbraw/zinc/59/25/05/810592505.db2.gz UEFZPZSVSSZIOQ-UHFFFAOYSA-N -1 1 273.354 3.003 20 0 CGADMM CCCCCCNC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001191978988 810762085 /nfs/dbraw/zinc/76/20/85/810762085.db2.gz GLIZZBIJBIXIOF-UHFFFAOYSA-N -1 1 272.295 3.372 20 0 CGADMM CC(C)(C)c1ccc(C(=O)Nc2cccnc2F)c([O-])c1 ZINC001192313646 810786094 /nfs/dbraw/zinc/78/60/94/810786094.db2.gz GEBQUOSSFMZPEC-UHFFFAOYSA-N -1 1 288.322 3.476 20 0 CGADMM Cc1ccc(O)cc1Nc1ccnc(Cl)c1[O-] ZINC001214343319 815397621 /nfs/dbraw/zinc/39/76/21/815397621.db2.gz LHYZSPPQLAXVID-UHFFFAOYSA-N -1 1 250.685 3.198 20 0 CGADMM Cc1cc(O)cc(C)c1NC(=O)c1c(F)ccc([O-])c1F ZINC001192539868 810805931 /nfs/dbraw/zinc/80/59/31/810805931.db2.gz MNTVGAWTLWLZCA-UHFFFAOYSA-N -1 1 293.269 3.245 20 0 CGADMM C[C@H](OCC[P@](=O)([O-])O)c1ccc(Cl)cc1Cl ZINC001224604670 816833238 /nfs/dbraw/zinc/83/32/38/816833238.db2.gz FKMTWTIGZZKTLC-ZETCQYMHSA-N -1 1 299.090 3.249 20 0 CGADMM CCCOC(=O)Nc1ccc([O-])c(Br)c1 ZINC001194118065 811017414 /nfs/dbraw/zinc/01/74/14/811017414.db2.gz IWHFOCLCSFVTKB-UHFFFAOYSA-N -1 1 274.114 3.113 20 0 CGADMM Cn1nc2c(c1Nc1cc(F)c([O-])c(Cl)c1)CCC2 ZINC001214480471 815415037 /nfs/dbraw/zinc/41/50/37/815415037.db2.gz RKVCLOPFPSNNAY-UHFFFAOYSA-N -1 1 281.718 3.151 20 0 CGADMM [O-]c1c(F)cc(Nc2cccnc2F)cc1Cl ZINC001214480115 815415099 /nfs/dbraw/zinc/41/50/99/815415099.db2.gz LJHVPQMCRQSGIT-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM Cc1cnc(Cl)c(NC(=O)c2cc([O-])cnc2Cl)c1 ZINC001195298393 811239414 /nfs/dbraw/zinc/23/94/14/811239414.db2.gz WWCMVKLUKBFDHV-UHFFFAOYSA-N -1 1 298.129 3.050 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc2cc(F)ccc2c1 ZINC001195491425 811261322 /nfs/dbraw/zinc/26/13/22/811261322.db2.gz WSWWFHWLHCDWKJ-UHFFFAOYSA-N -1 1 292.335 3.422 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1c(F)cccc1C(C)C ZINC001195494289 811261423 /nfs/dbraw/zinc/26/14/23/811261423.db2.gz JYXVUTKNZSTURX-UHFFFAOYSA-N -1 1 284.356 3.392 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)c(C)cc1F ZINC001195491184 811261940 /nfs/dbraw/zinc/26/19/40/811261940.db2.gz USKBRTUPYCEHSJ-UHFFFAOYSA-N -1 1 290.747 3.230 20 0 CGADMM CCCc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1 ZINC001198266233 811488119 /nfs/dbraw/zinc/48/81/19/811488119.db2.gz ZUTWWSRWIXJSSF-UHFFFAOYSA-N -1 1 290.388 3.143 20 0 CGADMM C=CS(=O)(=O)[N-]c1cccc(F)c1OC1CCCCC1 ZINC001198620100 811526948 /nfs/dbraw/zinc/52/69/48/811526948.db2.gz GADKUOSZLREMBL-UHFFFAOYSA-N -1 1 299.367 3.422 20 0 CGADMM CCOc1ncc(Nc2ccnc(Cl)c2[O-])cc1C ZINC001214930571 815462866 /nfs/dbraw/zinc/46/28/66/815462866.db2.gz KHNQROVTYGZKIL-UHFFFAOYSA-N -1 1 279.727 3.286 20 0 CGADMM CCCCNC(=S)Nc1cccc([O-])c1Cl ZINC001200459060 811694729 /nfs/dbraw/zinc/69/47/29/811694729.db2.gz OQJDOQBFTXKXOJ-UHFFFAOYSA-N -1 1 258.774 3.132 20 0 CGADMM CCOc1ncc(Cl)cc1[N-]c1nc(C)ns1 ZINC001201505775 811873376 /nfs/dbraw/zinc/87/33/76/811873376.db2.gz PBBQKZIKHNFXAR-UHFFFAOYSA-N -1 1 270.745 3.037 20 0 CGADMM O=C(Nc1cccc(F)c1)Nc1c(F)cc([O-])cc1F ZINC001202229909 812046453 /nfs/dbraw/zinc/04/64/53/812046453.db2.gz IKGINKYYCQGAIR-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM COc1cc(Nc2cc(F)c(F)c(C(=O)[O-])c2)ncc1C ZINC001215463945 815521540 /nfs/dbraw/zinc/52/15/40/815521540.db2.gz WXOSATPIYWYHDR-UHFFFAOYSA-N -1 1 294.257 3.119 20 0 CGADMM O=C1OCc2ccc(Nc3cc(F)c([O-])cc3F)cc21 ZINC001215572035 815537085 /nfs/dbraw/zinc/53/70/85/815537085.db2.gz TVEVXAJLOOBRRE-UHFFFAOYSA-N -1 1 277.226 3.084 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cccc4cnccc43)no2)nn1 ZINC001205294081 812935854 /nfs/dbraw/zinc/93/58/54/812935854.db2.gz NMVUKPJVVAPRKP-UHFFFAOYSA-N -1 1 291.270 3.008 20 0 CGADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2)c2c[nH]nc21 ZINC001215751276 815574884 /nfs/dbraw/zinc/57/48/84/815574884.db2.gz CHKFVXRCSMRJPE-UHFFFAOYSA-N -1 1 291.257 3.299 20 0 CGADMM COC(=O)c1c(C)cccc1-c1cc(F)c([O-])cc1F ZINC001206775941 813435064 /nfs/dbraw/zinc/43/50/64/813435064.db2.gz RODYJAPZYUQLFU-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM CN(C)c1ccccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001209988942 814232834 /nfs/dbraw/zinc/23/28/34/814232834.db2.gz DSCXHLKSPUGHHD-UHFFFAOYSA-N -1 1 296.326 3.308 20 0 CGADMM CC1(C)CCC(=Nc2cc(S(C)(=O)=O)ccc2[O-])CC1 ZINC001210168161 814319536 /nfs/dbraw/zinc/31/95/36/814319536.db2.gz NAYHGOOOGHOTIU-UHFFFAOYSA-N -1 1 295.404 3.302 20 0 CGADMM CC1(C)CC=C(Nc2cc(S(C)(=O)=O)ccc2[O-])CC1 ZINC001210168161 814319545 /nfs/dbraw/zinc/31/95/45/814319545.db2.gz NAYHGOOOGHOTIU-UHFFFAOYSA-N -1 1 295.404 3.302 20 0 CGADMM Cc1cccc(Nc2ccnc(Cl)c2[O-])c1O ZINC001210187973 814327791 /nfs/dbraw/zinc/32/77/91/814327791.db2.gz IUBBPAZLZYDYRG-UHFFFAOYSA-N -1 1 250.685 3.198 20 0 CGADMM FC(F)(F)c1ncccc1[N-]c1noc2cccnc12 ZINC001210232422 814356616 /nfs/dbraw/zinc/35/66/16/814356616.db2.gz AFFYDJWOVWOREH-UHFFFAOYSA-N -1 1 280.209 3.380 20 0 CGADMM Cc1cc(-c2noc(-c3ccc([O-])cc3F)n2)cnc1C ZINC001215826276 815606526 /nfs/dbraw/zinc/60/65/26/815606526.db2.gz IKZFJOAOAMJQAS-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM [O-]c1c(Cl)cc(Nc2cnc3ccnn3c2)cc1Cl ZINC001210927689 814678103 /nfs/dbraw/zinc/67/81/03/814678103.db2.gz XORPHZZRLIRAPJ-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1c[nH]c2ncccc12 ZINC001210936475 814680629 /nfs/dbraw/zinc/68/06/29/814680629.db2.gz HSRIQLHVWLLTBV-UHFFFAOYSA-N -1 1 293.282 3.119 20 0 CGADMM Cc1c(-c2cccc([O-])c2Cl)cnc2nccnc12 ZINC001242799564 823136739 /nfs/dbraw/zinc/13/67/39/823136739.db2.gz RMKOTOHRWIKPGB-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM COCOc1ccc(-c2cccc([O-])c2Cl)cn1 ZINC001242802819 823137743 /nfs/dbraw/zinc/13/77/43/823137743.db2.gz IUKNLJUHKUXUFA-UHFFFAOYSA-N -1 1 265.696 3.090 20 0 CGADMM COCCOc1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211340219 814881845 /nfs/dbraw/zinc/88/18/45/814881845.db2.gz UKZICLQYTVTADY-UHFFFAOYSA-N -1 1 280.270 3.363 20 0 CGADMM CCOC(=O)Cc1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211339017 814882381 /nfs/dbraw/zinc/88/23/81/814882381.db2.gz KHOSFYRTWLYYIM-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(-c3nc[nH]n3)cc2)cc1F ZINC001211349760 814883274 /nfs/dbraw/zinc/88/32/74/814883274.db2.gz GEKSEBABXIKJMK-UHFFFAOYSA-N -1 1 273.242 3.123 20 0 CGADMM COCOc1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001211635389 814922207 /nfs/dbraw/zinc/92/22/07/814922207.db2.gz FHZRAUKLODWDEK-UHFFFAOYSA-N -1 1 280.711 3.167 20 0 CGADMM CCc1cc(Nc2c([O-])cc(F)cc2F)ccc1CO ZINC001216105350 815696915 /nfs/dbraw/zinc/69/69/15/815696915.db2.gz KRCFYWFCXGKSFO-UHFFFAOYSA-N -1 1 279.286 3.469 20 0 CGADMM Cc1c(O)cccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001216322976 815783841 /nfs/dbraw/zinc/78/38/41/815783841.db2.gz JSAYSQBAUFGAEL-UHFFFAOYSA-N -1 1 281.315 3.336 20 0 CGADMM COC(=O)c1cc2ccc(-c3cccc([S-])c3)[nH]c-2n1 ZINC001242866400 823158338 /nfs/dbraw/zinc/15/83/38/823158338.db2.gz XIQHFADERJZUBB-UHFFFAOYSA-N -1 1 284.340 3.305 20 0 CGADMM Cc1ncccc1-c1noc(-c2cc([O-])cc(F)c2F)n1 ZINC001216924546 815901471 /nfs/dbraw/zinc/90/14/71/815901471.db2.gz PGDHOLHCCZZLLY-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM COc1c(C(=O)[O-])cccc1-c1ccc2nc[nH]c2c1C ZINC001242922890 823173181 /nfs/dbraw/zinc/17/31/81/823173181.db2.gz VJSDXXHKSQCVCZ-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM [O-]c1cc(Cl)c(O[C@@H]2CNCC(F)(F)C2)cc1Cl ZINC001218275825 816149569 /nfs/dbraw/zinc/14/95/69/816149569.db2.gz YWUGJWTZSMUBDQ-LURJTMIESA-N -1 1 298.116 3.075 20 0 CGADMM Cn1c(=O)cc(-c2cc(F)c([O-])cc2F)c2ccccc21 ZINC001222082318 816343090 /nfs/dbraw/zinc/34/30/90/816343090.db2.gz BVKBDOLGNSLRET-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM O=c1ccc(-c2cc(F)c([O-])cc2F)cn1-c1ccccc1 ZINC001222082760 816343712 /nfs/dbraw/zinc/34/37/12/816343712.db2.gz GYOVTLBVDWRVTG-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM O=C1CC[C@@H](c2ccc(-c3cc(F)c([O-])cc3F)cc2)N1 ZINC001222083320 816343848 /nfs/dbraw/zinc/34/38/48/816343848.db2.gz ZPWZNUQSXZMMFB-AWEZNQCLSA-N -1 1 289.281 3.289 20 0 CGADMM CCCC[C@H](OCC[P@](=O)([O-])O)[C@@H](C)CCC ZINC001224602268 816831926 /nfs/dbraw/zinc/83/19/26/816831926.db2.gz PGBSXXRZDWLLSI-RYUDHWBXSA-N -1 1 266.318 3.176 20 0 CGADMM CCCCCC[C@@H](CCC)OCC[P@](=O)([O-])O ZINC001224602715 816831951 /nfs/dbraw/zinc/83/19/51/816831951.db2.gz SQSKBVNPXLKSBM-GFCCVEGCSA-N -1 1 266.318 3.320 20 0 CGADMM C[C@H](OCC[P@](=O)([O-])O)c1cc2ccccc2s1 ZINC001224607778 816832873 /nfs/dbraw/zinc/83/28/73/816832873.db2.gz VIVXIAPRRMCFKU-VIFPVBQESA-N -1 1 286.289 3.157 20 0 CGADMM CCC[C@@H](OCCCC[P@](=O)([O-])O)[C@@H](C)CC ZINC001225023297 816934424 /nfs/dbraw/zinc/93/44/24/816934424.db2.gz WWQPSXYSBYETKE-NWDGAFQWSA-N -1 1 266.318 3.176 20 0 CGADMM CO[C@@H](COc1cc([O-])ccc1C(C)=O)c1ccccc1 ZINC001225617127 817114066 /nfs/dbraw/zinc/11/40/66/817114066.db2.gz TTZIBWBDXWDUCB-KRWDZBQOSA-N -1 1 286.327 3.361 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCCn2cc(C)nc21 ZINC001225618975 817114356 /nfs/dbraw/zinc/11/43/56/817114356.db2.gz KVCGWDZCFFKUAW-CQSZACIVSA-N -1 1 286.331 3.014 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCc2ccccc2C1 ZINC001225680012 817139717 /nfs/dbraw/zinc/13/97/17/817139717.db2.gz URIKOEZKJJSPOT-OAHLLOKOSA-N -1 1 298.338 3.237 20 0 CGADMM CCCC[C@H](CCC)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226237186 817305459 /nfs/dbraw/zinc/30/54/59/817305459.db2.gz HJOYDNIMILONFM-NSHDSACASA-N -1 1 266.341 3.123 20 0 CGADMM CC(=O)c1c[n-]c(=O)nc1O[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001226238707 817306728 /nfs/dbraw/zinc/30/67/28/817306728.db2.gz XNPXVYPOLKQYBW-RWMBFGLXSA-N -1 1 290.363 3.123 20 0 CGADMM CCCCC[C@H](Oc1nc(=O)[n-]cc1C(C)=O)C(C)C ZINC001226238494 817307352 /nfs/dbraw/zinc/30/73/52/817307352.db2.gz SXNSEAGMEPRWDQ-ZDUSSCGKSA-N -1 1 280.368 3.369 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@@H](C)c2cccc(F)c2)c1Cl ZINC001227111800 817561320 /nfs/dbraw/zinc/56/13/20/817561320.db2.gz QUGAEBSLAPTZOX-QMMMGPOBSA-N -1 1 282.702 3.423 20 0 CGADMM C[C@H]1OCc2c1nc(=O)[n-]c2O[C@H](c1ccccc1)C1CC1 ZINC001227710553 817699071 /nfs/dbraw/zinc/69/90/71/817699071.db2.gz MALFEXCGVAUKRF-MEBBXXQBSA-N -1 1 298.342 3.304 20 0 CGADMM Cc1ccc(-c2cc3[nH]ccc3cn2)cc1C(=O)[O-] ZINC001243193696 823283397 /nfs/dbraw/zinc/28/33/97/823283397.db2.gz ZQGABKZDXPYHMM-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CSc1nc(OC2CC(C)(C)OC(C)(C)C2)cc(=O)[n-]1 ZINC001228093944 817809603 /nfs/dbraw/zinc/80/96/03/817809603.db2.gz FKKSSDHMCSXPPU-UHFFFAOYSA-N -1 1 298.408 3.019 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)nc2ccccc21)C1CCOCC1 ZINC001228760458 818001811 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823337235 /nfs/dbraw/zinc/33/72/35/823337235.db2.gz HKYNLCMDEBIEKJ-UHFFFAOYSA-N -1 1 296.326 3.339 20 0 CGADMM [O-]c1cccc(CN2CCCC[C@@H](F)C2)c1Cl ZINC001232784400 818439612 /nfs/dbraw/zinc/43/96/12/818439612.db2.gz LTWBGBXYIFAQMX-LLVKDONJSA-N -1 1 257.736 3.370 20 0 CGADMM CN(Cc1ccc(Cl)nc1)Cc1ccc(F)c([O-])c1F ZINC001232936819 818477272 /nfs/dbraw/zinc/47/72/72/818477272.db2.gz HAFRSYYZVFNUOA-UHFFFAOYSA-N -1 1 298.720 3.351 20 0 CGADMM CC(C)OC1CCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232935180 818477540 /nfs/dbraw/zinc/47/75/40/818477540.db2.gz ODGREYISMCPOQR-UHFFFAOYSA-N -1 1 285.334 3.060 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@H](C(F)F)C2)c1F ZINC001232935742 818478037 /nfs/dbraw/zinc/47/80/37/818478037.db2.gz WLAMJTMDMKWPKD-VIFPVBQESA-N -1 1 277.261 3.148 20 0 CGADMM C[C@H]1CN(Cc2cc([O-])c(F)c(F)c2)CCC1(F)F ZINC001232971241 818486689 /nfs/dbraw/zinc/48/66/89/818486689.db2.gz YYUXPVALIBVXHC-QMMMGPOBSA-N -1 1 277.261 3.148 20 0 CGADMM [O-]c1cc(CN2CC(c3ccccc3)C2)cc(F)c1F ZINC001232973160 818488312 /nfs/dbraw/zinc/48/83/12/818488312.db2.gz PFLLVQMDIMRROV-UHFFFAOYSA-N -1 1 275.298 3.270 20 0 CGADMM C[C@H]1CCN(Cc2cc([O-])c(F)c(F)c2)CC1(F)F ZINC001232970995 818488354 /nfs/dbraw/zinc/48/83/54/818488354.db2.gz PXOFDCQMXMLBFQ-QMMMGPOBSA-N -1 1 277.261 3.148 20 0 CGADMM Cn1cnc(-c2ccc(-c3ccc([O-])c(F)c3F)cc2)n1 ZINC001243341646 823356300 /nfs/dbraw/zinc/35/63/00/823356300.db2.gz WHXMTCWVECUIHL-UHFFFAOYSA-N -1 1 287.269 3.133 20 0 CGADMM COCCOc1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243342150 823357874 /nfs/dbraw/zinc/35/78/74/823357874.db2.gz DATQPFPKJRJGPV-UHFFFAOYSA-N -1 1 280.270 3.363 20 0 CGADMM Cc1cc2nccn2cc1-c1ccc([O-])c(F)c1F ZINC001243342676 823357928 /nfs/dbraw/zinc/35/79/28/823357928.db2.gz OCRQQWOHQFGPQR-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM Cn1ccc2cc(-c3ccc([O-])c(F)c3F)ccc2c1=O ZINC001243342912 823358826 /nfs/dbraw/zinc/35/88/26/823358826.db2.gz PNQBCOSWZRPOEM-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM COC(=O)c1ccc(-c2ccc([O-])c(F)c2F)c(OC)c1 ZINC001243343022 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823451301 /nfs/dbraw/zinc/45/13/01/823451301.db2.gz ORDASKAOGMZYAW-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM [O-]c1cc(-c2ncnc3cnccc32)ccc1Cl ZINC001243577369 823452124 /nfs/dbraw/zinc/45/21/24/823452124.db2.gz YQQNLFYQLRVBOZ-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM [O-]c1cc(-c2ncnc3[nH]cc(F)c32)ccc1Cl ZINC001243577394 823452197 /nfs/dbraw/zinc/45/21/97/823452197.db2.gz ZEGJTFUVTSXMGI-UHFFFAOYSA-N -1 1 263.659 3.075 20 0 CGADMM CCCOc1nccnc1-c1ccc(Cl)c([O-])c1 ZINC001243579355 823452602 /nfs/dbraw/zinc/45/26/02/823452602.db2.gz RAONVCDQCDJFFH-UHFFFAOYSA-N -1 1 264.712 3.291 20 0 CGADMM [O-]c1cc(-c2nccnc2C(F)F)ccc1Cl ZINC001243578677 823452666 /nfs/dbraw/zinc/45/26/66/823452666.db2.gz KGEVGOVAGUUSKO-UHFFFAOYSA-N -1 1 256.639 3.440 20 0 CGADMM Cn1c(=O)oc2cc(-c3ccc(Cl)c([O-])c3)ccc21 ZINC001243578782 823452898 /nfs/dbraw/zinc/45/28/98/823452898.db2.gz REAQZBMBWTUCRL-UHFFFAOYSA-N -1 1 275.691 3.158 20 0 CGADMM CNC(=O)c1ccc(-c2ccc(Cl)c([O-])c2)cc1 ZINC001243578825 823452989 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/nfs/dbraw/zinc/57/61/70/821576170.db2.gz MKDJBYUSOKUWRA-UHFFFAOYSA-N -1 1 276.286 3.315 20 0 CGADMM Cc1c2[nH]cnc2ccc1-c1ccc(F)c(C(=O)[O-])c1 ZINC001241245681 821667046 /nfs/dbraw/zinc/66/70/46/821667046.db2.gz OGQKRMLWIKOLNG-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM [O-]c1cc(F)cc(-c2ncc(C(F)(F)F)cn2)c1 ZINC001241256870 821677018 /nfs/dbraw/zinc/67/70/18/821677018.db2.gz BYZPPYQTZYYZPC-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM CCCc1ccnc(-c2c(F)ccc([O-])c2F)n1 ZINC001241288944 821706962 /nfs/dbraw/zinc/70/69/62/821706962.db2.gz CKECGMUCOOCTJU-UHFFFAOYSA-N -1 1 250.248 3.080 20 0 CGADMM C[C@@H]1CCc2nnc(-c3c(F)ccc([O-])c3F)cc2C1 ZINC001241290701 821707726 /nfs/dbraw/zinc/70/77/26/821707726.db2.gz DJBUZTPRMJSLNG-MRVPVSSYSA-N -1 1 276.286 3.252 20 0 CGADMM [O-]c1ccc(F)c(-c2ncccc2OC(F)F)c1F ZINC001241291694 821709542 /nfs/dbraw/zinc/70/95/42/821709542.db2.gz RVYCPIHVZNEKAS-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM O=C([O-])c1ccc(-c2cccn3cncc23)cc1Cl ZINC001241348940 821751910 /nfs/dbraw/zinc/75/19/10/821751910.db2.gz JDQJWKHOCWYIMM-UHFFFAOYSA-N -1 1 272.691 3.353 20 0 CGADMM O=C1Cc2cc(-c3cccc4ccsc43)ccc2C(=O)[N-]1 ZINC001241404162 821801126 /nfs/dbraw/zinc/80/11/26/821801126.db2.gz NHTXYQHMBILFBP-UHFFFAOYSA-N -1 1 293.347 3.381 20 0 CGADMM CCCc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)cc1 ZINC001241691270 822073331 /nfs/dbraw/zinc/07/33/31/822073331.db2.gz VRBUBPBBUFVIQP-UHFFFAOYSA-N -1 1 276.272 3.109 20 0 CGADMM CCCc1ccc(-c2ccc([P@](=O)([O-])O)cc2)cc1 ZINC001241691270 822073339 /nfs/dbraw/zinc/07/33/39/822073339.db2.gz VRBUBPBBUFVIQP-UHFFFAOYSA-N -1 1 276.272 3.109 20 0 CGADMM O=C([O-])c1cc(F)cc(-c2cccc3nc[nH]c32)c1 ZINC001241827542 822166059 /nfs/dbraw/zinc/16/60/59/822166059.db2.gz KMUHVAQMNOPKBG-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM COc1ccc(-c2cccc3nc(C)[nH]c32)cc1C(=O)[O-] ZINC001241874342 822190372 /nfs/dbraw/zinc/19/03/72/822190372.db2.gz FHRSQZBUIVYUGW-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1cnc2ncccc2n1 ZINC001242131088 822888198 /nfs/dbraw/zinc/88/81/98/822888198.db2.gz ASRXMXNWTSLWAO-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM CC(=O)Nc1cccc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242131642 822888393 /nfs/dbraw/zinc/88/83/93/822888393.db2.gz NRPISAZLBGUHCM-UHFFFAOYSA-N -1 1 296.248 3.431 20 0 CGADMM Cc1cnc(C)nc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242131406 822888571 /nfs/dbraw/zinc/88/85/71/822888571.db2.gz JGQJRMHYWVWAFO-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM Cc1cncnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242147603 822893988 /nfs/dbraw/zinc/89/39/88/822893988.db2.gz BHTRBYRMHABGLU-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM COC(=O)c1cccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242148428 822894944 /nfs/dbraw/zinc/89/49/44/822894944.db2.gz YCGHWGUUTLZHNC-UHFFFAOYSA-N -1 1 297.232 3.260 20 0 CGADMM [O-]c1ccc(-c2ncc3cccnc3n2)cc1C(F)(F)F ZINC001242151033 822895047 /nfs/dbraw/zinc/89/50/47/822895047.db2.gz DRYZDNNJZGCTGG-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM [O-]c1cc(F)ccc1-c1cc(F)cc2nccnc21 ZINC001242218828 822915727 /nfs/dbraw/zinc/91/57/27/822915727.db2.gz BMEQTGVDNUYGBP-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COC(=O)c1c(F)ccc(F)c1-c1ccc(F)cc1[O-] ZINC001242222556 822917570 /nfs/dbraw/zinc/91/75/70/822917570.db2.gz YHILLDMOIKFSFR-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COc1nc(-c2cccc(C)c2[O-])nc2ccsc21 ZINC001242344435 822957788 /nfs/dbraw/zinc/95/77/88/822957788.db2.gz LUALNMHLRIOOMI-UHFFFAOYSA-N -1 1 272.329 3.381 20 0 CGADMM Cn1c(=O)c(-c2cccc(F)c2[O-])cc2ccccc21 ZINC001242351538 822962252 /nfs/dbraw/zinc/96/22/52/822962252.db2.gz YXSONBYCQAACGT-UHFFFAOYSA-N -1 1 269.275 3.050 20 0 CGADMM O=c1c(-c2cccc(F)c2[O-])cccn1C1CCC1 ZINC001242353176 822962589 /nfs/dbraw/zinc/96/25/89/822962589.db2.gz VWSIWIGQTOWZHQ-UHFFFAOYSA-N -1 1 259.280 3.085 20 0 CGADMM COC(=O)c1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242365390 822968698 /nfs/dbraw/zinc/96/86/98/822968698.db2.gz MTPBCDJCOUFOSR-UHFFFAOYSA-N -1 1 262.692 3.499 20 0 CGADMM CC(=O)Nc1cc(C)c(-c2cccc(Cl)c2[O-])cn1 ZINC001242365838 822968998 /nfs/dbraw/zinc/96/89/98/822968998.db2.gz LIVLCHNGJJQJQK-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM NC(=O)Nc1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001242365757 822969027 /nfs/dbraw/zinc/96/90/27/822969027.db2.gz SHLOYRADMFOPMC-UHFFFAOYSA-N -1 1 262.696 3.203 20 0 CGADMM COc1ccc(C(=O)[O-])cc1-c1cc2nc[nH]c2c(C)c1 ZINC001242390256 822978662 /nfs/dbraw/zinc/97/86/62/822978662.db2.gz BTKJMKFCORZHDG-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM C[C@H](C(=O)[N-]OC1CCCCC1)c1ccc(F)c(F)c1 ZINC001338463515 936325182 /nfs/dbraw/zinc/32/51/82/936325182.db2.gz HFXWIXDJBVTCGC-JTQLQIEISA-N -1 1 283.318 3.449 20 0 CGADMM C[C@H]1CCC(F)(F)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC001347557590 936888542 /nfs/dbraw/zinc/88/85/42/936888542.db2.gz KJOCEUCCYBGURZ-QMMMGPOBSA-N -1 1 289.709 3.305 20 0 CGADMM C[C@H]1CCc2[n-]n(C3CCC(F)(F)CC3)c(=O)c2C1 ZINC001352108378 937037200 /nfs/dbraw/zinc/03/72/00/937037200.db2.gz AIJZQIVPPXONJX-GXSJLCMTSA-N -1 1 270.323 3.199 20 0 CGADMM O=C(CC1CC(F)(F)C1)NCc1ccc([O-])c(Cl)c1 ZINC001352265501 937039732 /nfs/dbraw/zinc/03/97/32/937039732.db2.gz YTPBFQZZYMCMPE-UHFFFAOYSA-N -1 1 289.709 3.097 20 0 CGADMM O=C([O-])Cc1ccccc1CN1CC=C(C(F)(F)F)CC1 ZINC000382540869 926868162 /nfs/dbraw/zinc/86/81/62/926868162.db2.gz UHYUQUFJJVVTMG-UHFFFAOYSA-N -1 1 299.292 3.008 20 0 CGADMM CC(=O)c1ccc(Oc2cc(Cl)nc(=O)[n-]2)c(C)c1 ZINC001363734735 937231466 /nfs/dbraw/zinc/23/14/66/937231466.db2.gz SNURDKYEXZLUDB-UHFFFAOYSA-N -1 1 278.695 3.139 20 0 CGADMM O=C(Cc1ccc(C2CCCCC2)cc1)Nc1c[n-][nH]c1=O ZINC001412855135 928719316 /nfs/dbraw/zinc/71/93/16/928719316.db2.gz MFMBMPHAXHSALS-UHFFFAOYSA-N -1 1 299.374 3.344 20 0 CGADMM O=C([N-]c1ccnc(F)c1F)c1scnc1C(F)F ZINC001437853105 937298346 /nfs/dbraw/zinc/29/83/46/937298346.db2.gz LVXOEAADEIBJMY-UHFFFAOYSA-N -1 1 291.229 3.006 20 0 CGADMM O=C(NCc1ccc(Cl)s1)c1cccc([O-])c1F ZINC001440797840 937333674 /nfs/dbraw/zinc/33/36/74/937333674.db2.gz WTBFTXCNIZCYIB-UHFFFAOYSA-N -1 1 285.727 3.176 20 0 CGADMM Cc1cc([C@H](C)NC(=O)c2ncc(C)cc2[O-])c(C)s1 ZINC001441197189 937337177 /nfs/dbraw/zinc/33/71/77/937337177.db2.gz JGLRTYLILDWNKA-JTQLQIEISA-N -1 1 290.388 3.265 20 0 CGADMM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc([O-])cn1 ZINC001442572099 937342512 /nfs/dbraw/zinc/34/25/12/937342512.db2.gz RDJMMGICQRWAGW-INIZCTEOSA-N -1 1 284.359 3.401 20 0 CGADMM Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc([O-])cn1 ZINC001545953689 937345487 /nfs/dbraw/zinc/34/54/87/937345487.db2.gz FQULHUQSAMSQHM-UHFFFAOYSA-N -1 1 286.331 3.177 20 0 CGADMM CC(C)c1ccc(CCCNC(=O)c2ccc([O-])cn2)cc1 ZINC001443866401 937349050 /nfs/dbraw/zinc/34/90/50/937349050.db2.gz HPDDULBKYLCENF-UHFFFAOYSA-N -1 1 298.386 3.273 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)c([O-])c2)C[C@@H]1C ZINC001447497033 937369240 /nfs/dbraw/zinc/36/92/40/937369240.db2.gz SJHQLFRKTICGCC-JFGNBEQYSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(CCSc1ccccc1)[N-]Oc1ccccc1F ZINC001455477037 937418047 /nfs/dbraw/zinc/41/80/47/937418047.db2.gz VSUNDYBPRAIKNL-UHFFFAOYSA-N -1 1 291.347 3.418 20 0 CGADMM CCCc1cc(C(=O)[N-]c2c(F)cc(F)cc2F)no1 ZINC001457221438 937439846 /nfs/dbraw/zinc/43/98/46/937439846.db2.gz NUPPULSYNNCTIN-UHFFFAOYSA-N -1 1 284.237 3.297 20 0 CGADMM CCC(=O)c1ccc(Oc2cc(Cl)nc(=O)[n-]2)c(F)c1 ZINC001458269509 937457209 /nfs/dbraw/zinc/45/72/09/937457209.db2.gz WQCOUMVPNBWEPZ-UHFFFAOYSA-N -1 1 296.685 3.360 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@H]1Cc2ccncc2[C@H]1C ZINC001229477103 932158161 /nfs/dbraw/zinc/15/81/61/932158161.db2.gz LFIPOKZBWHDDRZ-DIFFPNOSSA-N -1 1 297.354 3.487 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@@H](CC)C(=O)CC ZINC001229476282 932158377 /nfs/dbraw/zinc/15/83/77/932158377.db2.gz GLNZIWFHQOFYPU-AWEZNQCLSA-N -1 1 264.321 3.121 20 0 CGADMM Cc1nc(F)ccc1CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001461676750 937591641 /nfs/dbraw/zinc/59/16/41/937591641.db2.gz SUEHTECBYZSDOV-UHFFFAOYSA-N -1 1 298.321 3.033 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1coc(C(F)F)c1 ZINC001306800358 932887133 /nfs/dbraw/zinc/88/71/33/932887133.db2.gz XXZMSFHSRQMCBZ-UHFFFAOYSA-N -1 1 271.194 3.314 20 0 CGADMM CCCCOc1ccc(C(=O)N(OCC)C(C)C)c([O-])c1 ZINC001306862380 932889848 /nfs/dbraw/zinc/88/98/48/932889848.db2.gz DDHDYGGLNVFWBL-UHFFFAOYSA-N -1 1 295.379 3.373 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCCOC(F)(F)F)n1 ZINC001307253600 932933737 /nfs/dbraw/zinc/93/37/37/932933737.db2.gz QJYUIXPJWADGOO-UHFFFAOYSA-N -1 1 296.314 3.153 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCOCC2CCCC2)n1 ZINC001307251986 932933792 /nfs/dbraw/zinc/93/37/92/932933792.db2.gz BQZRLUQICDUPFK-UHFFFAOYSA-N -1 1 296.436 3.434 20 0 CGADMM CC(C)c1nc2cc(NC(=O)c3ccc([O-])cn3)ccc2o1 ZINC001463844469 937681547 /nfs/dbraw/zinc/68/15/47/937681547.db2.gz LLPNCFNJZHHFGS-UHFFFAOYSA-N -1 1 297.314 3.304 20 0 CGADMM C[C@@H]1CC[C@H](C)CN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001313237208 933437146 /nfs/dbraw/zinc/43/71/46/933437146.db2.gz SCEWUNOOBLSRLY-WDEREUQCSA-N -1 1 296.798 3.376 20 0 CGADMM C[C@H]1CCC[C@@H](CNC(=O)c2ccc(F)c([O-])c2)C1 ZINC001464476065 937691316 /nfs/dbraw/zinc/69/13/16/937691316.db2.gz WMNUSVXEKJLSCP-WDEREUQCSA-N -1 1 265.328 3.087 20 0 CGADMM CCCC[C@@H](CC)C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001317945799 933667499 /nfs/dbraw/zinc/66/74/99/933667499.db2.gz WKQWEOJHJCDRGK-LLVKDONJSA-N -1 1 294.347 3.040 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])nc1C ZINC001466630846 937710949 /nfs/dbraw/zinc/71/09/49/937710949.db2.gz BNCFEKOTPSUMKG-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM C[C@H]1C[C@@H](CCNC(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC001467637359 937720181 /nfs/dbraw/zinc/72/01/81/937720181.db2.gz ZOGKCCHCGVWKAX-QWHCGFSZSA-N -1 1 290.407 3.370 20 0 CGADMM C[C@@H]1C[C@H](CCNC(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC001467637358 937720218 /nfs/dbraw/zinc/72/02/18/937720218.db2.gz ZOGKCCHCGVWKAX-OLZOCXBDSA-N -1 1 290.407 3.370 20 0 CGADMM CC(C)c1oncc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001468003525 937723857 /nfs/dbraw/zinc/72/38/57/937723857.db2.gz LHWOYQWWOCETMB-UHFFFAOYSA-N -1 1 282.246 3.034 20 0 CGADMM O=C(Nc1nccc2ccccc21)c1ccc([O-])c(F)c1 ZINC001468021437 937723985 /nfs/dbraw/zinc/72/39/85/937723985.db2.gz XAGIWPIGFUWZIP-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(NCc1ccnc(Cl)c1)c1cc(Cl)ccc1[O-] ZINC001468992145 937734153 /nfs/dbraw/zinc/73/41/53/937734153.db2.gz HXDZWAANDWCQQP-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)[C@H]1CC12CCC2 ZINC001321279066 934172101 /nfs/dbraw/zinc/17/21/01/934172101.db2.gz WRPURVCPOBZYLN-SECBINFHSA-N -1 1 296.164 3.283 20 0 CGADMM O=C(NCC(C1CCC1)C1CCC1)c1ccc(F)c([O-])c1 ZINC001470452083 937753497 /nfs/dbraw/zinc/75/34/97/937753497.db2.gz JEGMCLVTJVODIH-UHFFFAOYSA-N -1 1 291.366 3.478 20 0 CGADMM O=C(Nc1cncc(C(F)F)c1)c1ccc([O-])c(F)c1 ZINC001471323898 937764209 /nfs/dbraw/zinc/76/42/09/937764209.db2.gz AHVPRJAGIJLEKR-UHFFFAOYSA-N -1 1 282.221 3.116 20 0 CGADMM Cc1cscc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001471699839 937768467 /nfs/dbraw/zinc/76/84/67/937768467.db2.gz VCECXSHWLHRPSR-UHFFFAOYSA-N -1 1 281.764 3.346 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cccs1 ZINC001472191929 937773613 /nfs/dbraw/zinc/77/36/13/937773613.db2.gz NETXIKNNEOEFOG-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM CCc1cccc(NC(=O)c2ccc([O-])cc2F)c1O ZINC001472182782 937773848 /nfs/dbraw/zinc/77/38/48/937773848.db2.gz DYQMWSZVJPXHDC-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM Cc1nocc1[N-]C(=O)c1ncoc1-c1ccc(F)cc1 ZINC001530369493 938077513 /nfs/dbraw/zinc/07/75/13/938077513.db2.gz FHTDOWLKGCYEIQ-UHFFFAOYSA-N -1 1 287.250 3.029 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c1 ZINC001540668113 938132823 /nfs/dbraw/zinc/13/28/23/938132823.db2.gz ZPDIEZGBELIFKN-IUODEOHRSA-N -1 1 289.375 3.164 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(F)c([O-])c2)[C@@H]1c1ccccc1 ZINC001544814763 938147135 /nfs/dbraw/zinc/14/71/35/938147135.db2.gz PVJVAFOZRZGFRF-BZNIZROVSA-N -1 1 285.318 3.365 20 0 CGADMM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001544810059 938147143 /nfs/dbraw/zinc/14/71/43/938147143.db2.gz ZLGSQWLRKHVLHI-CHWSQXEVSA-N -1 1 290.407 3.370 20 0 CGADMM O=C(NCc1ccc(F)c(Cl)c1)c1ccc(F)c([O-])c1 ZINC001544960578 938147922 /nfs/dbraw/zinc/14/79/22/938147922.db2.gz IGBFUDTUQKOPIR-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC001556827863 938205909 /nfs/dbraw/zinc/20/59/09/938205909.db2.gz YQMZOXGADNLTHS-FPLPWBNLSA-N -1 1 291.738 3.119 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccc(CF)cc1 ZINC001556920387 938206486 /nfs/dbraw/zinc/20/64/86/938206486.db2.gz PQLBOYBYZRIWCW-UHFFFAOYSA-N -1 1 281.233 3.392 20 0 CGADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])[C@@H]1CC1(C)C ZINC001557079159 938207500 /nfs/dbraw/zinc/20/75/00/938207500.db2.gz QJCQXEDGJJKTJA-NWDGAFQWSA-N -1 1 265.328 3.086 20 0 CGADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])[C@H]1CC1(C)C ZINC001557079158 938207618 /nfs/dbraw/zinc/20/76/18/938207618.db2.gz QJCQXEDGJJKTJA-NEPJUHHUSA-N -1 1 265.328 3.086 20 0 CGADMM CC(C)n1cccc1C(=O)Nc1cccc(F)c1[O-] ZINC001557957527 938212659 /nfs/dbraw/zinc/21/26/59/938212659.db2.gz VRXFSLJJICSJQF-UHFFFAOYSA-N -1 1 262.284 3.166 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccsc1 ZINC001558643973 938216861 /nfs/dbraw/zinc/21/68/61/938216861.db2.gz PKVVLDWBTXTVGA-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001563484003 938303563 /nfs/dbraw/zinc/30/35/63/938303563.db2.gz KYGUPFICIFDSJU-MFKMUULPSA-N -1 1 296.798 3.424 20 0 CGADMM C[C@H](NCc1cccc(C(=O)[O-])c1Cl)c1cccnc1 ZINC000381937307 971790098 /nfs/dbraw/zinc/79/00/98/971790098.db2.gz QHIODKIFJWUXLY-JTQLQIEISA-N -1 1 290.750 3.284 20 0 CGADMM CC(C)(C)[C@H]1CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC001347711140 957685493 /nfs/dbraw/zinc/68/54/93/957685493.db2.gz AHMUXXOZZRCFRM-GFCCVEGCSA-N -1 1 267.756 3.306 20 0 CGADMM Cc1ccccc1[C@@H](NC(=O)c1ccc([O-])cn1)C(C)C ZINC001565695179 960817094 /nfs/dbraw/zinc/81/70/94/960817094.db2.gz IKWCQSVOZBMSCJ-INIZCTEOSA-N -1 1 284.359 3.223 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCCCC[C@@H]1c1ccco1 ZINC001565799944 960819578 /nfs/dbraw/zinc/81/95/78/960819578.db2.gz RUPYNVNEMQAOJV-CQSZACIVSA-N -1 1 286.331 3.138 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nccc2occc21 ZINC001566589205 960963072 /nfs/dbraw/zinc/96/30/72/960963072.db2.gz VLXZFTVWIHTEOZ-UHFFFAOYSA-N -1 1 288.690 3.439 20 0 CGADMM O=C(N[C@@H]1CCCc2sccc21)c1ccc(F)c([O-])c1 ZINC001567303776 961276038 /nfs/dbraw/zinc/27/60/38/961276038.db2.gz GQUBTHWQPYGWJC-GFCCVEGCSA-N -1 1 291.347 3.400 20 0 CGADMM Cc1cscc1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001568477828 961589875 /nfs/dbraw/zinc/58/98/75/961589875.db2.gz VKWYGYDJFWYJJS-UHFFFAOYSA-N -1 1 295.791 3.274 20 0 CGADMM O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ncccc1[O-] ZINC001568683134 961625885 /nfs/dbraw/zinc/62/58/85/961625885.db2.gz HDXXBURCKZNJDI-CABCVRRESA-N -1 1 296.370 3.243 20 0 CGADMM O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1cc(F)ccc1[O-] ZINC001570329224 961943360 /nfs/dbraw/zinc/94/33/60/961943360.db2.gz PTHGDZJMEVPYDL-AAEUAGOBSA-N -1 1 277.339 3.087 20 0 CGADMM CCc1cccc(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC001583439596 962808753 /nfs/dbraw/zinc/80/87/53/962808753.db2.gz SUPAEPLBPMBMSJ-UHFFFAOYSA-N -1 1 291.297 3.163 20 0 CGADMM CC(C)(CNC(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001583957866 962870772 /nfs/dbraw/zinc/87/07/72/962870772.db2.gz RTEAUCWZPFOUIO-UHFFFAOYSA-N -1 1 287.334 3.239 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001583971785 962875604 /nfs/dbraw/zinc/87/56/04/962875604.db2.gz KQZQURRRXMUZIE-HRDYMLBCSA-N -1 1 285.265 3.151 20 0 CGADMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(C)cc(C=O)c2[O-])C1 ZINC001584707271 962948707 /nfs/dbraw/zinc/94/87/07/962948707.db2.gz IXLPZTGTRWMSTH-CHWSQXEVSA-N -1 1 289.375 3.164 20 0 CGADMM CC(C)(C)[C@H](NCc1cnc(C(=O)[O-])cn1)c1ccccc1 ZINC001589721279 964017143 /nfs/dbraw/zinc/01/71/43/964017143.db2.gz ZNVQGYRSZVRWGX-OAHLLOKOSA-N -1 1 299.374 3.052 20 0 CGADMM CC[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1ccncc1 ZINC001595299662 980429301 /nfs/dbraw/zinc/42/93/01/980429301.db2.gz BFGWOBJMXNMVCX-LLYBFZRZSA-N -1 1 286.331 3.013 20 0 CGADMM CC[C@@H]1CCCN([C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001595458720 981133334 /nfs/dbraw/zinc/13/33/34/981133334.db2.gz LDRLVYGVKSVTNS-GHMZBOCLSA-N -1 1 282.409 3.414 20 0 CGADMM CCCCCC[C@H](O)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC001595714967 982312153 /nfs/dbraw/zinc/31/21/53/982312153.db2.gz LPSQJENELYSPBZ-INIZCTEOSA-N -1 1 291.391 3.032 20 0 CGADMM CCN([C@H](C)c1ncc(C(=O)[O-])s1)C1CC(C)(C)C1 ZINC001596197217 983580889 /nfs/dbraw/zinc/58/08/89/983580889.db2.gz DQDLYLLMQRJQSM-SECBINFHSA-N -1 1 282.409 3.413 20 0 CGADMM CCOc1cccc(Cl)c1CN(CC)CCC(=O)[O-] ZINC001597154814 986943321 /nfs/dbraw/zinc/94/33/21/986943321.db2.gz ASICLKHFTIKDRL-UHFFFAOYSA-N -1 1 285.771 3.035 20 0 CGADMM CCc1[nH]c(CN2C[C@H](C)[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597383180 987581457 /nfs/dbraw/zinc/58/14/57/987581457.db2.gz CBOFMOCQAMXOTE-YVEFUNNKSA-N -1 1 298.386 3.468 20 0 CGADMM CCc1ccc([C@H](C)NCc2cc(C(=O)[O-])c(C)n2C)o1 ZINC001597513025 988103815 /nfs/dbraw/zinc/10/38/15/988103815.db2.gz ITZQHXSDDXBNJR-JTQLQIEISA-N -1 1 290.363 3.038 20 0 CGADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1cccc(O)c1 ZINC001599841418 988839613 /nfs/dbraw/zinc/83/96/13/988839613.db2.gz GPPKNVHZHSSMID-SNVBAGLBSA-N -1 1 289.306 3.080 20 0 CGADMM C[C@H](NCc1ccc2c(c1)CCC2)c1cc(C(=O)[O-])co1 ZINC001593305082 994758770 /nfs/dbraw/zinc/75/87/70/994758770.db2.gz VHNPXKZLZYXSSX-NSHDSACASA-N -1 1 285.343 3.317 20 0 CGADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCCC2(CCCCC2)C1 ZINC001593730676 996296257 /nfs/dbraw/zinc/29/62/57/996296257.db2.gz RPQQJYOBBKIYER-GFCCVEGCSA-N -1 1 292.379 3.480 20 0 CGADMM COc1ccc(C(=O)[O-])cc1CNC1(c2ccccc2)CC1 ZINC001599500046 997100449 /nfs/dbraw/zinc/10/04/49/997100449.db2.gz DJGYDRSSDARRRR-UHFFFAOYSA-N -1 1 297.354 3.172 20 0 CGADMM COc1ccc(CN[C@@H](C)c2cc(C(=O)[O-])co2)c(C)c1 ZINC001599571639 998374252 /nfs/dbraw/zinc/37/42/52/998374252.db2.gz UWNBNKFTBBKTBW-NSHDSACASA-N -1 1 289.331 3.146 20 0 CGADMM CCc1nc(CNCc2ccc(C)c(C)c2)ccc1C(=O)[O-] ZINC000426652446 529740147 /nfs/dbraw/zinc/74/01/47/529740147.db2.gz UKJUJGAIDBQCIF-UHFFFAOYSA-N -1 1 298.386 3.249 20 0 CGADMM CC[C@H](C)C[C@H](NCc1cccc([O-])c1Cl)C(=O)OC ZINC000592517575 346994865 /nfs/dbraw/zinc/99/48/65/346994865.db2.gz UGSGLSWLYLSAOG-JQWIXIFHSA-N -1 1 299.798 3.113 20 0 CGADMM O=C([N-]c1cnoc1)c1csc(-c2ccccc2F)n1 ZINC000623938826 349922137 /nfs/dbraw/zinc/92/21/37/349922137.db2.gz JWNNMOLHWNXQFM-UHFFFAOYSA-N -1 1 289.291 3.190 20 0 CGADMM C[C@@H]1CCc2nc(NC(=O)c3ccccc3[O-])sc2C1 ZINC000045653017 345028420 /nfs/dbraw/zinc/02/84/20/345028420.db2.gz NILUSQHVZALSHM-SECBINFHSA-N -1 1 288.372 3.226 20 0 CGADMM C[C@H](c1cccs1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000051330627 345089430 /nfs/dbraw/zinc/08/94/30/345089430.db2.gz BWALEFQORCUMSL-SECBINFHSA-N -1 1 265.334 3.232 20 0 CGADMM COc1ccc(C(=O)Nc2cc(Cl)ccc2O)c([O-])c1 ZINC000067138857 345315805 /nfs/dbraw/zinc/31/58/05/345315805.db2.gz ADPKSLPVQABNPN-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM CC(C)(C)OCc1cccc(C[N-]C(=O)C(F)(F)F)c1 ZINC000263685898 534993315 /nfs/dbraw/zinc/99/33/15/534993315.db2.gz GHPGZFPFYGGISN-UHFFFAOYSA-N -1 1 289.297 3.180 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1 ZINC000075082637 345494724 /nfs/dbraw/zinc/49/47/24/345494724.db2.gz YSLHBLWEGFIXPF-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM CCc1cc(NC(=O)c2ccc3ccccc3c2[O-])n[nH]1 ZINC000134542635 346082643 /nfs/dbraw/zinc/08/26/43/346082643.db2.gz VNPNHKWQBKXGTF-UHFFFAOYSA-N -1 1 281.315 3.083 20 0 CGADMM O=C(COCc1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000171881179 346212938 /nfs/dbraw/zinc/21/29/38/346212938.db2.gz QWMTZNPAVFHTHZ-UHFFFAOYSA-N -1 1 291.734 3.201 20 0 CGADMM CCCCN(C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000211543526 346286208 /nfs/dbraw/zinc/28/62/08/346286208.db2.gz RHHLEKRMQPTNJZ-GFCCVEGCSA-N -1 1 273.735 3.337 20 0 CGADMM CCc1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000584726416 346710296 /nfs/dbraw/zinc/71/02/96/346710296.db2.gz XRWHIDSCAXBLAW-UHFFFAOYSA-N -1 1 287.359 3.481 20 0 CGADMM Cc1ccc(C(N)=O)cc1NCc1cccc([O-])c1Cl ZINC000339301633 215080669 /nfs/dbraw/zinc/08/06/69/215080669.db2.gz BRZNBEBYVDGGQV-UHFFFAOYSA-N -1 1 290.750 3.065 20 0 CGADMM CSCCCCC(=O)Nc1cccc(F)c1[O-] ZINC000600446901 347800609 /nfs/dbraw/zinc/80/06/09/347800609.db2.gz WTOUQVBSKJIBMP-UHFFFAOYSA-N -1 1 257.330 3.003 20 0 CGADMM CC(C)CCC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000351893632 219241403 /nfs/dbraw/zinc/24/14/03/219241403.db2.gz YNDLRPCSTCTDOB-UHFFFAOYSA-N -1 1 290.335 3.217 20 0 CGADMM Cc1cccc(CSc2nc(C(F)F)cc(=O)[n-]2)n1 ZINC000351901820 219242631 /nfs/dbraw/zinc/24/26/31/219242631.db2.gz HGAUCJJTFFNDLR-UHFFFAOYSA-N -1 1 283.303 3.116 20 0 CGADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c(C)s1 ZINC000605434630 348155128 /nfs/dbraw/zinc/15/51/28/348155128.db2.gz ANKDVZIEPLJEET-UHFFFAOYSA-N -1 1 265.309 3.462 20 0 CGADMM CC(=O)c1ccc(C(=O)Nc2c([O-])cccc2F)s1 ZINC000608365253 348301302 /nfs/dbraw/zinc/30/13/02/348301302.db2.gz BVIHAOKGTDEVFU-UHFFFAOYSA-N -1 1 279.292 3.048 20 0 CGADMM C[C@H]1CCC(C)(C)N1C(=O)c1ncc2ccccc2c1[O-] ZINC000616178666 348794448 /nfs/dbraw/zinc/79/44/48/348794448.db2.gz BTBZVBYUHLYBDM-NSHDSACASA-N -1 1 284.359 3.344 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000616729828 348875887 /nfs/dbraw/zinc/87/58/87/348875887.db2.gz ZDVVKFAVCPZZDW-CABZTGNLSA-N -1 1 265.740 3.060 20 0 CGADMM Cc1cnc(C(=O)N(C)Cc2cc3ccccc3o2)c([O-])c1 ZINC000358555777 233154481 /nfs/dbraw/zinc/15/44/81/233154481.db2.gz IUWDVXVIOUVIPQ-UHFFFAOYSA-N -1 1 296.326 3.114 20 0 CGADMM C[C@@H]1N(C(=O)c2ccc(O)cc2[O-])c2ccccc2C1(C)C ZINC000619020058 349196601 /nfs/dbraw/zinc/19/66/01/349196601.db2.gz VEFHFOVLUOAIFC-NSHDSACASA-N -1 1 297.354 3.424 20 0 CGADMM Cc1cnc(C(=O)N2CC(C)(C)CCC2(C)C)c([O-])c1 ZINC000628533331 350568490 /nfs/dbraw/zinc/56/84/90/350568490.db2.gz YDLWBZHXMGEXQX-UHFFFAOYSA-N -1 1 276.380 3.136 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000628960119 350625735 /nfs/dbraw/zinc/62/57/35/350625735.db2.gz VXQRWRGDCGMSHU-JGVFFNPUSA-N -1 1 291.244 3.448 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1C[C@H]1C1CCCC1 ZINC000628960388 350626428 /nfs/dbraw/zinc/62/64/28/350626428.db2.gz OUAOHZIECYNCDM-QWRGUYRKSA-N -1 1 263.312 3.296 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H]2CCCC[C@@H]2C)n1 ZINC000629175916 350663278 /nfs/dbraw/zinc/66/32/78/350663278.db2.gz SIDXCVUINCRRAS-GXSJLCMTSA-N -1 1 252.383 3.415 20 0 CGADMM C[C@@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C(C)(C)C ZINC000629379278 350685196 /nfs/dbraw/zinc/68/51/96/350685196.db2.gz ZEDDZMUINCOCSP-NSHDSACASA-N -1 1 287.363 3.199 20 0 CGADMM C/C=C/C[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000629871404 350779698 /nfs/dbraw/zinc/77/96/98/350779698.db2.gz JXAGAJWJIVRIKI-QAVQXKDTSA-N -1 1 277.339 3.350 20 0 CGADMM Cc1nc(SCCC[C@@H]2CCOC2)[n-]c(=O)c1C1CC1 ZINC000631023032 350926781 /nfs/dbraw/zinc/92/67/81/350926781.db2.gz FQIISZAUCCMPCS-LLVKDONJSA-N -1 1 294.420 3.277 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@H]1CC=CCC1 ZINC000630837046 350896960 /nfs/dbraw/zinc/89/69/60/350896960.db2.gz OYKQRUALPRTHJN-NSHDSACASA-N -1 1 279.767 3.061 20 0 CGADMM CC1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CCCC1 ZINC000631176155 350979753 /nfs/dbraw/zinc/97/97/53/350979753.db2.gz KCTUPKPLPRXWPP-UHFFFAOYSA-N -1 1 281.783 3.285 20 0 CGADMM CC(C)CC1([N-]S(=O)(=O)c2ccc(C(F)F)o2)CC1 ZINC000632572435 351205573 /nfs/dbraw/zinc/20/55/73/351205573.db2.gz WMICVCCFELSYKR-UHFFFAOYSA-N -1 1 293.335 3.074 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC1(C2CCC2)CCC1 ZINC000633404636 351296192 /nfs/dbraw/zinc/29/61/92/351296192.db2.gz MBIQCJJWEQSARZ-UHFFFAOYSA-N -1 1 293.794 3.427 20 0 CGADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633465065 351308932 /nfs/dbraw/zinc/30/89/32/351308932.db2.gz YUSYARMMEYULAS-OUAUKWLOSA-N -1 1 281.783 3.091 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC1CCC(F)CC1 ZINC000633562552 351323285 /nfs/dbraw/zinc/32/32/85/351323285.db2.gz KVYYFKNKAMTZJW-UHFFFAOYSA-N -1 1 299.773 3.233 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1CCCC12CC2 ZINC000633782421 351370790 /nfs/dbraw/zinc/37/07/90/351370790.db2.gz NZAAJYDXQHDSPX-CYBMUJFWSA-N -1 1 279.767 3.037 20 0 CGADMM CCC(C)(C)CCNC(=O)c1ccc([O-])cc1F ZINC000633969099 351410740 /nfs/dbraw/zinc/41/07/40/351410740.db2.gz GBIZUGRSVAYAFV-UHFFFAOYSA-N -1 1 253.317 3.087 20 0 CGADMM C[C@H](COc1ccccc1)n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634629160 351551922 /nfs/dbraw/zinc/55/19/22/351551922.db2.gz OBDXVWQMQQPCJG-UMVBOHGHSA-N -1 1 286.375 3.088 20 0 CGADMM O=c1c2c([n-]n1Cc1ccc(Cl)cc1Cl)CCC2 ZINC000634591693 351529039 /nfs/dbraw/zinc/52/90/39/351529039.db2.gz KTYKLBKMQNGQJW-JTQLQIEISA-N -1 1 283.158 3.492 20 0 CGADMM C[C@@H](n1[n-]c2c(c1=O)CCCCCC2)C(F)(F)F ZINC000634630919 351552885 /nfs/dbraw/zinc/55/28/85/351552885.db2.gz HIOFLWDRKINFLH-RKDXNWHRSA-N -1 1 262.275 3.106 20 0 CGADMM CCCc1[nH]n(-c2ccc(C(=O)[O-])c(F)c2)c(=O)c1CC ZINC000634631667 351554396 /nfs/dbraw/zinc/55/43/96/351554396.db2.gz ZZXSMZSVCNKVAW-SNVBAGLBSA-N -1 1 292.310 3.053 20 0 CGADMM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000295187532 199395647 /nfs/dbraw/zinc/39/56/47/199395647.db2.gz KEHPGILAFOWNQA-UHFFFAOYSA-N -1 1 297.351 3.228 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccnn1C1CCCC1 ZINC000336383155 213239650 /nfs/dbraw/zinc/23/96/50/213239650.db2.gz INSBZPPPBUDWIH-UHFFFAOYSA-N -1 1 289.310 3.095 20 0 CGADMM C[C@@H](C(=O)[N-]OC1CCCC1)c1cccc(Cl)c1 ZINC000271759714 191310218 /nfs/dbraw/zinc/31/02/18/191310218.db2.gz MCJMRRTZHSLNPQ-SNVBAGLBSA-N -1 1 267.756 3.434 20 0 CGADMM CCCN(CC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271854525 191370580 /nfs/dbraw/zinc/37/05/80/191370580.db2.gz KAAXEHYDBFCFNF-UHFFFAOYSA-N -1 1 275.270 3.283 20 0 CGADMM CO[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436586589 237137147 /nfs/dbraw/zinc/13/71/47/237137147.db2.gz BQZQMNGHPWZVEB-DOTOQJQBSA-N -1 1 299.370 3.233 20 0 CGADMM Cc1ncccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436583120 237137654 /nfs/dbraw/zinc/13/76/54/237137654.db2.gz GRLXWJHHIGSKKS-UHFFFAOYSA-N -1 1 270.332 3.471 20 0 CGADMM O=C(Nc1c[nH]nc1-c1ccccc1F)c1ccccc1[O-] ZINC000436790069 237180749 /nfs/dbraw/zinc/18/07/49/237180749.db2.gz GTMCBMJGQSZREX-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM CCn1c2ccc(F)cc2nc1NC(=O)c1ccccc1[O-] ZINC000436834412 237188140 /nfs/dbraw/zinc/18/81/40/237188140.db2.gz ZEFGVIBOOVVJDG-UHFFFAOYSA-N -1 1 299.305 3.153 20 0 CGADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccon1 ZINC000436762254 237180071 /nfs/dbraw/zinc/18/00/71/237180071.db2.gz BINCKSFQLVPHRI-JTQLQIEISA-N -1 1 282.299 3.024 20 0 CGADMM O=C(Nc1nccc2sccc21)c1cc(F)ccc1[O-] ZINC000436879158 237201358 /nfs/dbraw/zinc/20/13/58/237201358.db2.gz FIOLDYCFXMCBMU-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM CC(C)c1ccc([C@@H](C)CC(=O)[N-]OC(C)(C)CO)cc1 ZINC000297169551 200103656 /nfs/dbraw/zinc/10/36/56/200103656.db2.gz KIRGSFCSACTFCQ-ZDUSSCGKSA-N -1 1 293.407 3.122 20 0 CGADMM CN(C(=O)c1cncc([O-])c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297433722 200188063 /nfs/dbraw/zinc/18/80/63/200188063.db2.gz ZVHVKWJUJPQZPC-IRXDYDNUSA-N -1 1 296.370 3.196 20 0 CGADMM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccc(F)cc1 ZINC000442847114 238469417 /nfs/dbraw/zinc/46/94/17/238469417.db2.gz KPKXLEOWHLKYDV-UHFFFAOYSA-N -1 1 291.303 3.373 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1cccs1 ZINC000184018961 189374470 /nfs/dbraw/zinc/37/44/70/189374470.db2.gz ZFUHEARXQIKNKZ-QMMMGPOBSA-N -1 1 265.309 3.084 20 0 CGADMM Cc1nc(SCCCC(=O)OC(C)(C)C)[n-]c(=O)c1C ZINC000342439383 216352150 /nfs/dbraw/zinc/35/21/50/216352150.db2.gz YWKCBGKSPJVYJO-UHFFFAOYSA-N -1 1 298.408 3.013 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1 ZINC000120002990 370730525 /nfs/dbraw/zinc/73/05/25/370730525.db2.gz GFQCWKREYFXWLO-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM Cc1nc(-c2cccc(NC(=O)c3ccccc3[O-])c2)no1 ZINC000121121744 370830668 /nfs/dbraw/zinc/83/06/68/370830668.db2.gz ACOYQVOCAXVVGV-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM O=C(Nc1cccc2ncccc21)c1ccccc1[O-] ZINC000019838355 368770485 /nfs/dbraw/zinc/77/04/85/368770485.db2.gz ZWIBSXYSZPPMLF-UHFFFAOYSA-N -1 1 264.284 3.193 20 0 CGADMM CCCN(CCC)C(=O)c1ccc(Cl)cc1[O-] ZINC000019837740 368770543 /nfs/dbraw/zinc/77/05/43/368770543.db2.gz ATMBKXWXIMUWOS-UHFFFAOYSA-N -1 1 255.745 3.308 20 0 CGADMM Cc1ccc(/C=C/C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000492439698 243951172 /nfs/dbraw/zinc/95/11/72/243951172.db2.gz LHAQACDLLJYSRY-QPJJXVBHSA-N -1 1 288.734 3.401 20 0 CGADMM CC[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000037915239 369125278 /nfs/dbraw/zinc/12/52/78/369125278.db2.gz BKOXWIYZNVZSIW-SNVBAGLBSA-N -1 1 253.729 3.060 20 0 CGADMM CCOc1cc(-c2nc(C3CC3)no2)cc(Cl)c1[O-] ZINC000276195448 193238426 /nfs/dbraw/zinc/23/84/26/193238426.db2.gz MQENDDCYWJYPGA-UHFFFAOYSA-N -1 1 280.711 3.372 20 0 CGADMM CC(C)C1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000072717495 369834671 /nfs/dbraw/zinc/83/46/71/369834671.db2.gz FGWQUPOIZDCIAE-UHFFFAOYSA-N -1 1 291.420 3.265 20 0 CGADMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC000131739303 371126882 /nfs/dbraw/zinc/12/68/82/371126882.db2.gz WQQGGSCGBTVJII-KGLIPLIRSA-N -1 1 296.370 3.114 20 0 CGADMM C[C@H]1Cc2ccccc2N1C(=O)c1cc(F)ccc1[O-] ZINC000132863152 371207667 /nfs/dbraw/zinc/20/76/67/371207667.db2.gz AFDIVEPBXLVVFZ-JTQLQIEISA-N -1 1 271.291 3.123 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N(C1CC1)C1CCCC1 ZINC000538789518 288589579 /nfs/dbraw/zinc/58/95/79/288589579.db2.gz SLJAWEHHSYKULR-UHFFFAOYSA-N -1 1 263.312 3.079 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000028781285 541857110 /nfs/dbraw/zinc/85/71/10/541857110.db2.gz PJDOGDHXFOWCFD-UHFFFAOYSA-N -1 1 297.326 3.328 20 0 CGADMM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ncccc3[O-])C2)c1 ZINC000154024118 371811339 /nfs/dbraw/zinc/81/13/39/371811339.db2.gz LBFOZWKSDSDEBS-AWEZNQCLSA-N -1 1 296.370 3.034 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000175234521 296181324 /nfs/dbraw/zinc/18/13/24/296181324.db2.gz KSMKDTVANJEWAC-QGZVFWFLSA-N -1 1 289.350 3.494 20 0 CGADMM CCCCCS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000292932041 372252887 /nfs/dbraw/zinc/25/28/87/372252887.db2.gz HWSWUARXSLAUCL-LBPRGKRZSA-N -1 1 291.363 3.102 20 0 CGADMM CC[C@H]1CC[C@H](N=c2nc(C(F)(F)F)[n-]s2)CC1 ZINC000431509103 372481754 /nfs/dbraw/zinc/48/17/54/372481754.db2.gz BLZITTITJXRUMW-ZKCHVHJHSA-N -1 1 279.331 3.360 20 0 CGADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])[C@@H]2CCC[C@@H]21 ZINC000294118542 372585988 /nfs/dbraw/zinc/58/59/88/372585988.db2.gz CGAARVYGVLGXKH-QWHCGFSZSA-N -1 1 277.339 3.182 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1c[nH]c2cc(F)ccc12 ZINC000434492668 372682356 /nfs/dbraw/zinc/68/23/56/372682356.db2.gz PRLMYPBEOSCTJY-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM CN(Cc1csc2ccccc12)C(=O)c1ncccc1[O-] ZINC000171256156 372732295 /nfs/dbraw/zinc/73/22/95/372732295.db2.gz VWBKTKIXDMVHAS-UHFFFAOYSA-N -1 1 298.367 3.274 20 0 CGADMM [O-]c1cccc(CN(CC(F)F)C2CC2)c1Cl ZINC000295513372 372809249 /nfs/dbraw/zinc/80/92/49/372809249.db2.gz ZLNFOSZLNDUMKO-UHFFFAOYSA-N -1 1 261.699 3.275 20 0 CGADMM C[C@]1(F)CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000295677907 372873614 /nfs/dbraw/zinc/87/36/14/372873614.db2.gz XVIPJJWNSFHASG-ZDUSSCGKSA-N -1 1 271.719 3.010 20 0 CGADMM COc1cc(C(=O)N(C)[C@@H](C)C(C)C)cc(Cl)c1[O-] ZINC000442659084 373062820 /nfs/dbraw/zinc/06/28/20/373062820.db2.gz VPDJMKYRXGBXLB-VIFPVBQESA-N -1 1 285.771 3.171 20 0 CGADMM CC[C@@H](C)[C@@H](NC(=O)c1cc(F)ccc1[O-])C(F)(F)F ZINC000444562707 373200923 /nfs/dbraw/zinc/20/09/23/373200923.db2.gz WDGJEOWRFDYMPQ-RDDDGLTNSA-N -1 1 293.260 3.238 20 0 CGADMM COc1ccccc1[C@@H](C)N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450212148 374000931 /nfs/dbraw/zinc/00/09/31/374000931.db2.gz CIBZDCIOSFJEPZ-SECBINFHSA-N -1 1 290.388 3.258 20 0 CGADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])[C@H]2CCCC[C@H]12 ZINC000180530095 374017976 /nfs/dbraw/zinc/01/79/76/374017976.db2.gz XQYCWRWMZVWPDO-SUHUHFCYSA-N -1 1 277.339 3.182 20 0 CGADMM CCc1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000181056182 374073883 /nfs/dbraw/zinc/07/38/83/374073883.db2.gz WAQJQTLJKQJJET-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(C2Cc3ccccc3C2)no1 ZINC000317170739 374338628 /nfs/dbraw/zinc/33/86/28/374338628.db2.gz IFNUTZNDQVCWDX-UHFFFAOYSA-N -1 1 296.301 3.464 20 0 CGADMM C[C@H](NCc1cccc([O-])c1Cl)c1ccccn1 ZINC000328372910 374366481 /nfs/dbraw/zinc/36/64/81/374366481.db2.gz QOXSKSUIFGHUOF-JTQLQIEISA-N -1 1 262.740 3.291 20 0 CGADMM CC1CCC(N(C(=O)c2cccc3nn[nH]c32)C2CC2)CC1 ZINC000183502528 374420171 /nfs/dbraw/zinc/42/01/71/374420171.db2.gz TVMXPNKVECVAOS-UHFFFAOYSA-N -1 1 298.390 3.141 20 0 CGADMM C[C@H]1CC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000331528077 374540563 /nfs/dbraw/zinc/54/05/63/374540563.db2.gz GDTNLECMWBNFTK-DTWKUNHWSA-N -1 1 262.284 3.485 20 0 CGADMM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456780837 374621689 /nfs/dbraw/zinc/62/16/89/374621689.db2.gz IYDOZTIBHRUMTB-HTQZYQBOSA-N -1 1 255.264 3.045 20 0 CGADMM COc1cc(NC(=O)c2ccc([O-])cc2F)c(C)cc1C ZINC000334235854 206234227 /nfs/dbraw/zinc/23/42/27/206234227.db2.gz HMKPKJLVALPUES-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000187458835 375025941 /nfs/dbraw/zinc/02/59/41/375025941.db2.gz USVHIHPCEHAJND-CABZTGNLSA-N -1 1 267.756 3.306 20 0 CGADMM CC(C)(C)c1cc(C(=O)Nc2ccc([O-])c(F)c2F)no1 ZINC000335018889 375073606 /nfs/dbraw/zinc/07/36/06/375073606.db2.gz UHAIWIYGTSWTGP-UHFFFAOYSA-N -1 1 296.273 3.208 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H](C)c2ccc(F)cc2)n1 ZINC000187599952 375053424 /nfs/dbraw/zinc/05/34/24/375053424.db2.gz NWIYEPHVLGBCQC-QMMMGPOBSA-N -1 1 280.324 3.189 20 0 CGADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])nn1C(C)(C)C ZINC000335204905 375225242 /nfs/dbraw/zinc/22/52/42/375225242.db2.gz XPEZLYAKHRJZRO-UHFFFAOYSA-N -1 1 291.326 3.044 20 0 CGADMM C[C@H]1CCN(Cc2c(F)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000335424124 375283946 /nfs/dbraw/zinc/28/39/46/375283946.db2.gz MOMFFRZWGANKCO-VHSXEESVSA-N -1 1 285.746 3.022 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CC12CCSCC2 ZINC000336196814 375758423 /nfs/dbraw/zinc/75/84/23/375758423.db2.gz AJBATTSECMOMHF-JTQLQIEISA-N -1 1 281.352 3.003 20 0 CGADMM CC1=C(C(=O)Nc2ccc([O-])c(Cl)c2)CCC1 ZINC000336604273 375866798 /nfs/dbraw/zinc/86/67/98/375866798.db2.gz SYDKBZFQEJUYPO-UHFFFAOYSA-N -1 1 251.713 3.485 20 0 CGADMM O=C(c1ccccc1[O-])N1C[C@H]2CCCN2c2ccccc21 ZINC000538745144 376267627 /nfs/dbraw/zinc/26/76/27/376267627.db2.gz USRFOXLNJNGCJE-CYBMUJFWSA-N -1 1 294.354 3.021 20 0 CGADMM Cc1ccc(C(C)C)cc1Oc1nc2c(cnn2C)c(=O)[n-]1 ZINC000538893636 376277723 /nfs/dbraw/zinc/27/77/23/376277723.db2.gz XKBKNRXTJWDILY-UHFFFAOYSA-N -1 1 298.346 3.293 20 0 CGADMM [O-]c1ccc(-c2nc(CCC(F)(F)F)no2)c(F)c1 ZINC000230228922 376497748 /nfs/dbraw/zinc/49/77/48/376497748.db2.gz ZJYQTJTYFGCZMM-UHFFFAOYSA-N -1 1 276.189 3.076 20 0 CGADMM CCCCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339126329 376697066 /nfs/dbraw/zinc/69/70/66/376697066.db2.gz DQNOJRRDOPWOJN-UHFFFAOYSA-N -1 1 273.336 3.301 20 0 CGADMM C[C@@H]1C[C@@H](NC(=O)c2ccc3ccccc3c2[O-])C[C@H](C)O1 ZINC000245511125 376836615 /nfs/dbraw/zinc/83/66/15/376836615.db2.gz XNZNUQNKFBNJER-DABQJJPHSA-N -1 1 299.370 3.231 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Cl)s1 ZINC000340327220 377001818 /nfs/dbraw/zinc/00/18/18/377001818.db2.gz DYSANVNMRAHXCL-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM Cc1noc(Cl)c1CCC(=O)Nc1ccc(F)cc1[O-] ZINC000340327961 377002892 /nfs/dbraw/zinc/00/28/92/377002892.db2.gz IREAJGDQMAMRDZ-UHFFFAOYSA-N -1 1 298.701 3.052 20 0 CGADMM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000340328756 377005764 /nfs/dbraw/zinc/00/57/64/377005764.db2.gz QVAUICWOBAKVKQ-ZJUUUORDSA-N -1 1 251.301 3.296 20 0 CGADMM CC(C)Cc1nc(C(=O)Nc2ccc(F)cc2[O-])cs1 ZINC000340331084 377007756 /nfs/dbraw/zinc/00/77/56/377007756.db2.gz OWXSNFOISKBVNZ-UHFFFAOYSA-N -1 1 294.351 3.439 20 0 CGADMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1ccccc1F ZINC000340332053 377008079 /nfs/dbraw/zinc/00/80/79/377008079.db2.gz GBIUPLKHSKCFGX-SECBINFHSA-N -1 1 277.270 3.413 20 0 CGADMM CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCC1 ZINC000340937944 377329245 /nfs/dbraw/zinc/32/92/45/377329245.db2.gz ZRMISHLBTSPZDV-UHFFFAOYSA-N -1 1 291.775 3.090 20 0 CGADMM CC(C)c1nc(=N[C@@H](C)CCOCc2ccccc2)o[n-]1 ZINC000340998222 377349313 /nfs/dbraw/zinc/34/93/13/377349313.db2.gz RGUBRDZNNQLQGF-ZDUSSCGKSA-N -1 1 289.379 3.022 20 0 CGADMM O=C(NCC[C@H]1CCCCO1)c1ccc2ccccc2c1[O-] ZINC000182813600 249055041 /nfs/dbraw/zinc/05/50/41/249055041.db2.gz YUPCXWYKXQWLJQ-CQSZACIVSA-N -1 1 299.370 3.234 20 0 CGADMM O=c1nc(C[N@H+]2CCC[C@H]3CCC[C@H]32)[n-]c2ccsc21 ZINC000253547559 377699774 /nfs/dbraw/zinc/69/97/74/377699774.db2.gz DTHNDFGBVCXROX-ZYHUDNBSSA-N -1 1 289.404 3.161 20 0 CGADMM O=c1nc(CN2CCC[C@H]3CCC[C@H]32)[n-]c2ccsc21 ZINC000253547559 377699779 /nfs/dbraw/zinc/69/97/79/377699779.db2.gz DTHNDFGBVCXROX-ZYHUDNBSSA-N -1 1 289.404 3.161 20 0 CGADMM Cc1ccccc1[C@H](C(=O)[O-])N(C)CCOc1ccccc1 ZINC000574524951 377674904 /nfs/dbraw/zinc/67/49/04/377674904.db2.gz LMQDUMYJXNPIOX-QGZVFWFLSA-N -1 1 299.370 3.132 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000182907967 542225834 /nfs/dbraw/zinc/22/58/34/542225834.db2.gz UQBTUAMVCPCCGT-YUMQZZPRSA-N -1 1 284.153 3.058 20 0 CGADMM Cc1ccc([C@H]2CCCN2Cc2occc2C(=O)[O-])o1 ZINC000579240481 378143788 /nfs/dbraw/zinc/14/37/88/378143788.db2.gz QGJHYDGGSHXAGS-GFCCVEGCSA-N -1 1 275.304 3.216 20 0 CGADMM COc1ccc([C@H](C)N(C)Cc2occc2C(=O)[O-])cc1 ZINC000582306388 378301938 /nfs/dbraw/zinc/30/19/38/378301938.db2.gz NPHXSPAPFQINGX-NSHDSACASA-N -1 1 289.331 3.179 20 0 CGADMM CN(Cc1c(Cl)cccc1C(=O)[O-])[C@H]1CC1(C)C ZINC000583268375 378316645 /nfs/dbraw/zinc/31/66/45/378316645.db2.gz NQRSSCNXMHPPME-LBPRGKRZSA-N -1 1 267.756 3.269 20 0 CGADMM CC(C)(C)c1coc([N-]C(=O)c2ocnc2C(F)F)n1 ZINC000637389599 378493503 /nfs/dbraw/zinc/49/35/03/378493503.db2.gz KKISPPWMPYEBGV-UHFFFAOYSA-N -1 1 285.250 3.150 20 0 CGADMM C[C@@H]1C[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCO1 ZINC000278240309 379325483 /nfs/dbraw/zinc/32/54/83/379325483.db2.gz SITCVBDAZAZOEV-BDAKNGLRSA-N -1 1 294.738 3.378 20 0 CGADMM Cc1csc(-c2noc(-c3ccc([O-])cc3F)n2)n1 ZINC000350569761 379563864 /nfs/dbraw/zinc/56/38/64/379563864.db2.gz AWTBNAFPQIVVIO-UHFFFAOYSA-N -1 1 277.280 3.013 20 0 CGADMM CCC[C@H](OC)c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000351128293 379654691 /nfs/dbraw/zinc/65/46/91/379654691.db2.gz DBHWFVJBHZFIQI-LBPRGKRZSA-N -1 1 288.307 3.207 20 0 CGADMM CC(C)C1(NC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000379718831 379861064 /nfs/dbraw/zinc/86/10/64/379861064.db2.gz SOYSVRZOFCLKMD-UHFFFAOYSA-N -1 1 269.344 3.464 20 0 CGADMM Cc1cc(C(=O)[N-]c2conc2C)c(C(F)(F)F)o1 ZINC000640487540 379811406 /nfs/dbraw/zinc/81/14/06/379811406.db2.gz NMNAWQDVZMWRMJ-UHFFFAOYSA-N -1 1 274.198 3.156 20 0 CGADMM CO[C@H]([C@@H](C)NC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000388315565 379886775 /nfs/dbraw/zinc/88/67/75/379886775.db2.gz UVTXKQRODPAZKD-PIGZYNQJSA-N -1 1 299.370 3.089 20 0 CGADMM CO[C@H](C)c1nc(=NCC2CCCCCC2)s[n-]1 ZINC000389686499 379902417 /nfs/dbraw/zinc/90/24/17/379902417.db2.gz ZULYDPQIEAWZOE-SNVBAGLBSA-N -1 1 269.414 3.050 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC(C2CC2)C1 ZINC000643290739 380256749 /nfs/dbraw/zinc/25/67/49/380256749.db2.gz YCABRHJNKZYFNO-UHFFFAOYSA-N -1 1 267.328 3.027 20 0 CGADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000644799882 380516909 /nfs/dbraw/zinc/51/69/09/380516909.db2.gz YUPLRFYFZKIJEM-CMPLNLGQSA-N -1 1 299.292 3.329 20 0 CGADMM CO[C@H](CSc1nc(C(F)F)cc(=O)[n-]1)CC(C)C ZINC000416907832 380547639 /nfs/dbraw/zinc/54/76/39/380547639.db2.gz CFLBAXLGNAOKPK-QMMMGPOBSA-N -1 1 292.351 3.273 20 0 CGADMM Cc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC000417706967 380668182 /nfs/dbraw/zinc/66/81/82/380668182.db2.gz PJPXTYSTZVSDCT-UHFFFAOYSA-N -1 1 296.370 3.255 20 0 CGADMM CCCN(CC)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000357532385 381198276 /nfs/dbraw/zinc/19/82/76/381198276.db2.gz PEZPVKRYNVZFDX-UHFFFAOYSA-N -1 1 286.379 3.097 20 0 CGADMM [O-]c1ccc(-c2nc([C@@H]3CCCS3)no2)c(F)c1 ZINC000230229217 542302999 /nfs/dbraw/zinc/30/29/99/542302999.db2.gz OJGNOKKGFVDAED-JTQLQIEISA-N -1 1 266.297 3.149 20 0 CGADMM O=C(C[C@H]1C=CCCC1)Nc1ccc([O-])c(F)c1F ZINC000335219859 207953843 /nfs/dbraw/zinc/95/38/43/207953843.db2.gz SPLPCJBLCJUMKI-VIFPVBQESA-N -1 1 267.275 3.355 20 0 CGADMM CC[C@H]1CCC[C@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289373410 197317588 /nfs/dbraw/zinc/31/75/88/197317588.db2.gz LUFIQNUSXIEEIA-UWVGGRQHSA-N -1 1 283.318 3.369 20 0 CGADMM COc1cc(C(=O)NCc2cccs2)cc(Cl)c1[O-] ZINC000354376458 220705382 /nfs/dbraw/zinc/70/53/82/220705382.db2.gz CYYBMKHCHDKROU-UHFFFAOYSA-N -1 1 297.763 3.046 20 0 CGADMM COc1cc(C(=O)Nc2cc(C)ccn2)cc(Cl)c1[O-] ZINC000357978558 533556759 /nfs/dbraw/zinc/55/67/59/533556759.db2.gz HBQLMAIHZKKJEU-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1(F)F ZINC000436816303 533626287 /nfs/dbraw/zinc/62/62/87/533626287.db2.gz DCJRIQODLRBJGQ-QMMMGPOBSA-N -1 1 289.709 3.163 20 0 CGADMM O=C(N[C@H]1CCC(F)(F)C1)c1cc2ccccc2cc1[O-] ZINC000386481573 542603239 /nfs/dbraw/zinc/60/32/39/542603239.db2.gz MFAGUVJBEXIWCX-LBPRGKRZSA-N -1 1 291.297 3.463 20 0 CGADMM C[C@@H]1CN(Cc2ccc(Cl)cc2F)CC[C@@H]1C(=O)[O-] ZINC000394038872 542613440 /nfs/dbraw/zinc/61/34/40/542613440.db2.gz OASRNXSKOFXJQI-SKDRFNHKSA-N -1 1 285.746 3.022 20 0 CGADMM COc1ccc(C(=O)N(C)c2cc(C)cc(C)c2)c([O-])c1 ZINC000048443140 392000390 /nfs/dbraw/zinc/00/03/90/392000390.db2.gz RALWNTYVVQRBTA-UHFFFAOYSA-N -1 1 285.343 3.294 20 0 CGADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000112333595 392381722 /nfs/dbraw/zinc/38/17/22/392381722.db2.gz JOAHDCVPOCYBKH-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)C1CCC1 ZINC000296446168 392559383 /nfs/dbraw/zinc/55/93/83/392559383.db2.gz NXFXKKSLJRVACR-UHFFFAOYSA-N -1 1 283.318 3.227 20 0 CGADMM CCCC[C@@H](N=c1nc([C@H](C)OC)[n-]s1)C1CCC1 ZINC000509578139 392759638 /nfs/dbraw/zinc/75/96/38/392759638.db2.gz FKCMLDIRJYIQBL-CMPLNLGQSA-N -1 1 283.441 3.438 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000335019187 392763605 /nfs/dbraw/zinc/76/36/05/392763605.db2.gz VZMJJSUSDXPVKX-VROVMSAKSA-N -1 1 267.275 3.045 20 0 CGADMM COc1cc(Cl)ccc1CN1CCC(C)(C(=O)[O-])CC1 ZINC000647377054 392712186 /nfs/dbraw/zinc/71/21/86/392712186.db2.gz MJVRZPULIMMGAE-UHFFFAOYSA-N -1 1 297.782 3.035 20 0 CGADMM COc1ccc(NC(=O)c2ccc([O-])cc2F)cc1Cl ZINC000181044663 392716928 /nfs/dbraw/zinc/71/69/28/392716928.db2.gz PUZJWJFDLHBYPI-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CC[C@H](CC(F)F)C(=O)Nc1ccc(F)cc1[O-] ZINC000457655500 392720011 /nfs/dbraw/zinc/72/00/11/392720011.db2.gz BYNGKIXIQRNTGB-SSDOTTSWSA-N -1 1 261.243 3.151 20 0 CGADMM C[C@H]1CN(Cc2cccc([O-])c2Cl)CC2(CCC2)O1 ZINC000648074045 392903820 /nfs/dbraw/zinc/90/38/20/392903820.db2.gz MGKPVOONPKJUBM-NSHDSACASA-N -1 1 281.783 3.189 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC=C(c2ccccc2)C1 ZINC000375961697 392847504 /nfs/dbraw/zinc/84/75/04/392847504.db2.gz CYNZHBUSDRZVEM-UHFFFAOYSA-N -1 1 297.329 3.461 20 0 CGADMM O=C(Nc1ccc2cc[nH]c2c1)c1ccc([O-])cc1F ZINC000194847560 392941626 /nfs/dbraw/zinc/94/16/26/392941626.db2.gz UCLKXNTYBAPTMN-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM CCn1c(CC2CCCCC2)n[n-]c1=NC(C)(C)C ZINC000463090141 392970634 /nfs/dbraw/zinc/97/06/34/392970634.db2.gz WRSVYWRBAOVQOQ-UHFFFAOYSA-N -1 1 264.417 3.053 20 0 CGADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])CC(F)F ZINC000648471809 393043468 /nfs/dbraw/zinc/04/34/68/393043468.db2.gz WKLJUQKRMWTBPV-SSDOTTSWSA-N -1 1 277.698 3.067 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2ccc([O-])c(F)c2)CC1(C)C ZINC000647093181 393338222 /nfs/dbraw/zinc/33/82/22/393338222.db2.gz MIPDSEJQLYKGAL-CYBMUJFWSA-N -1 1 265.328 3.038 20 0 CGADMM CC[C@@H](C)[C@H](C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000356331101 393421406 /nfs/dbraw/zinc/42/14/06/393421406.db2.gz CPGTTZGDAVXIGK-ZJUUUORDSA-N -1 1 277.393 3.181 20 0 CGADMM O=C(CSc1ncccc1Cl)c1ccc([O-])cc1 ZINC000070211310 572624170 /nfs/dbraw/zinc/62/41/70/572624170.db2.gz ZQKGHLNZGOHPGI-UHFFFAOYSA-N -1 1 279.748 3.416 20 0 CGADMM CC(C)c1nc(=NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)o[n-]1 ZINC000439609294 393731523 /nfs/dbraw/zinc/73/15/23/393731523.db2.gz ADFDYMCYFITHFB-NXEZZACHSA-N -1 1 291.317 3.396 20 0 CGADMM O=C(/C=C/C1CCC1)Nc1ccc([O-])c(Cl)c1 ZINC000492487046 393742296 /nfs/dbraw/zinc/74/22/96/393742296.db2.gz HDEPOCZZZXOTNU-QPJJXVBHSA-N -1 1 251.713 3.340 20 0 CGADMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)c(C)o1 ZINC000445459840 393796509 /nfs/dbraw/zinc/79/65/09/393796509.db2.gz IFFPPLMZTXTEOL-UHFFFAOYSA-N -1 1 274.251 3.458 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CC=CCC3)n2)c(F)c1 ZINC000445463915 393797708 /nfs/dbraw/zinc/79/77/08/393797708.db2.gz RRODOPDTAFVGRD-SECBINFHSA-N -1 1 260.268 3.405 20 0 CGADMM Cc1ccoc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445480666 393798829 /nfs/dbraw/zinc/79/88/29/393798829.db2.gz MNMGFWRSJVNANR-UHFFFAOYSA-N -1 1 260.224 3.150 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\c3cccc(O)c3)n2)cc1F ZINC000445480077 393798958 /nfs/dbraw/zinc/79/89/58/393798958.db2.gz YIIKZBJCXYESTO-DAXSKMNVSA-N -1 1 298.273 3.457 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccccc3F)n2)cc1F ZINC000445486204 393799913 /nfs/dbraw/zinc/79/99/13/393799913.db2.gz JSVOUABFBMPUMR-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM COc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445485754 393800193 /nfs/dbraw/zinc/80/01/93/393800193.db2.gz CYDLELHHHUAADQ-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000450142750 393984763 /nfs/dbraw/zinc/98/47/63/393984763.db2.gz MABISTYENWYFJA-MWLCHTKSSA-N -1 1 251.301 3.152 20 0 CGADMM CCC[C@H](NC(=O)c1ccc([O-])cc1F)C(C)(C)C ZINC000452673701 394101151 /nfs/dbraw/zinc/10/11/51/394101151.db2.gz PUHXIXDQPBNNDV-ZDUSSCGKSA-N -1 1 267.344 3.476 20 0 CGADMM CC[C@@H](C)[C@H](CN=c1[n-]c(C(F)(F)F)cs1)OC ZINC000450614148 394031172 /nfs/dbraw/zinc/03/11/72/394031172.db2.gz ANXKOLSHBXFIGL-SFYZADRCSA-N -1 1 282.331 3.057 20 0 CGADMM O=C(NCC1CCCCCC1)c1c(F)ccc([O-])c1F ZINC000452788489 394119982 /nfs/dbraw/zinc/11/99/82/394119982.db2.gz DVJWWYQJXLVWOY-UHFFFAOYSA-N -1 1 283.318 3.371 20 0 CGADMM CCC1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000457269604 394339050 /nfs/dbraw/zinc/33/90/50/394339050.db2.gz DXTNTUWLMFTNSM-UHFFFAOYSA-N -1 1 290.750 3.076 20 0 CGADMM CC[C@@H](C)CN(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000668564724 543027782 /nfs/dbraw/zinc/02/77/82/543027782.db2.gz SMJCYHTZRJSBGD-LLVKDONJSA-N -1 1 272.348 3.059 20 0 CGADMM CC1(CS(=O)(=O)[N-][C@@H]2CCCC2(F)F)CCCCC1 ZINC000672428938 543211547 /nfs/dbraw/zinc/21/15/47/543211547.db2.gz ABVQQLPLKYADQP-LLVKDONJSA-N -1 1 295.395 3.064 20 0 CGADMM CC(C)C[C@H](C)OCCC(=O)Nc1c([O-])cccc1F ZINC000674851103 543299487 /nfs/dbraw/zinc/29/94/87/543299487.db2.gz SACFOMCHIIXPJZ-NSHDSACASA-N -1 1 283.343 3.311 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC(CC(F)(F)F)C1 ZINC000675415025 543337954 /nfs/dbraw/zinc/33/79/54/543337954.db2.gz LKELURORACFRIX-UHFFFAOYSA-N -1 1 293.672 3.070 20 0 CGADMM CCC(CC)n1nccc1C(=O)Nc1c([O-])cccc1F ZINC000676339457 543393350 /nfs/dbraw/zinc/39/33/50/543393350.db2.gz LZRSQSZGHRXUJV-UHFFFAOYSA-N -1 1 291.326 3.341 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2c([O-])cccc2F)cn1 ZINC000676447507 543397960 /nfs/dbraw/zinc/39/79/60/543397960.db2.gz OSUYVGZNSFQWIQ-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM O=C(CCc1ccc(F)cc1F)Nc1c([O-])cccc1F ZINC000677000789 543426141 /nfs/dbraw/zinc/42/61/41/543426141.db2.gz ZFGKNVQMENSDKJ-UHFFFAOYSA-N -1 1 295.260 3.381 20 0 CGADMM Cc1cccc(CN(C)C(=O)c2ccc(Cl)cc2[O-])n1 ZINC000086507536 165182008 /nfs/dbraw/zinc/18/20/08/165182008.db2.gz GPOJXVITGWBNKX-UHFFFAOYSA-N -1 1 290.750 3.021 20 0 CGADMM COc1ccc(-c2nc(-c3ccccc3F)no2)c([O-])c1 ZINC000111688229 287136205 /nfs/dbraw/zinc/13/62/05/287136205.db2.gz VMLVGROTSKHWCT-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM CC[C@@H](NC(=O)c1c([O-])cccc1F)c1cccs1 ZINC000120443985 287182341 /nfs/dbraw/zinc/18/23/41/287182341.db2.gz OEYKCGROHUKBLO-SNVBAGLBSA-N -1 1 279.336 3.474 20 0 CGADMM CN(C(=O)c1ccc2ccccc2c1[O-])c1nccs1 ZINC000123836642 287225788 /nfs/dbraw/zinc/22/57/88/287225788.db2.gz WACSLYQKCXUAOQ-UHFFFAOYSA-N -1 1 284.340 3.279 20 0 CGADMM O=C(NCc1cccc(F)c1)c1ccc(Cl)cc1[O-] ZINC000020369910 171167670 /nfs/dbraw/zinc/16/76/70/171167670.db2.gz KJMHAVOZXXQYIK-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM CC(C)C[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000037265428 173074127 /nfs/dbraw/zinc/07/41/27/173074127.db2.gz SOOCOBPFLLXOSQ-SECBINFHSA-N -1 1 255.745 3.210 20 0 CGADMM C[C@@H]1CN(Cc2ccc(F)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311433939 416532623 /nfs/dbraw/zinc/53/26/23/416532623.db2.gz GUHRSKBFDAJJLQ-SKDRFNHKSA-N -1 1 285.746 3.022 20 0 CGADMM Cc1cnc(C(=O)N(CC2CCCCC2)C2CC2)c([O-])c1 ZINC000680843304 543738373 /nfs/dbraw/zinc/73/83/73/543738373.db2.gz ONXBEPDNLXVCBL-UHFFFAOYSA-N -1 1 288.391 3.281 20 0 CGADMM O=C(NC1(Cc2ccccc2)CC1)c1ccc([O-])c(F)c1 ZINC000681361992 543783304 /nfs/dbraw/zinc/78/33/04/543783304.db2.gz LFYLFRUFZYLLKB-UHFFFAOYSA-N -1 1 285.318 3.036 20 0 CGADMM O=C(NCCc1ccc(Cl)cc1)c1ccc([O-])c(F)c1 ZINC000681014732 543756433 /nfs/dbraw/zinc/75/64/33/543756433.db2.gz JVUWDZKSTHMEHT-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681018630 543757318 /nfs/dbraw/zinc/75/73/18/543757318.db2.gz OAPODJMSOVEZQP-PWSUYJOCSA-N -1 1 265.328 3.182 20 0 CGADMM O=C(Nc1ccc(-c2cnco2)cc1)c1ccc([O-])c(F)c1 ZINC000681017949 543757901 /nfs/dbraw/zinc/75/79/01/543757901.db2.gz FGZWVQJOJWZQAC-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM CC(C)N(Cc1ccco1)C(=O)c1ccc([O-])c(F)c1 ZINC000681034972 543759614 /nfs/dbraw/zinc/75/96/14/543759614.db2.gz DSEZQGWKVQPLRB-UHFFFAOYSA-N -1 1 277.295 3.175 20 0 CGADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681049813 543760534 /nfs/dbraw/zinc/76/05/34/543760534.db2.gz UFMDGUCEWHYRNX-MNOVXSKESA-N -1 1 265.328 3.182 20 0 CGADMM CC(C)(NC(=O)c1ccc([O-])c(F)c1)c1cccs1 ZINC000681047165 543760749 /nfs/dbraw/zinc/76/07/49/543760749.db2.gz JEMLSBNGABYNLW-UHFFFAOYSA-N -1 1 279.336 3.258 20 0 CGADMM CCc1ccc(CCNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681047921 543760855 /nfs/dbraw/zinc/76/08/55/543760855.db2.gz KAQBTUPXROOGMK-UHFFFAOYSA-N -1 1 287.334 3.066 20 0 CGADMM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681050310 543761109 /nfs/dbraw/zinc/76/11/09/543761109.db2.gz MATPHSOZQUINST-ZJUUUORDSA-N -1 1 253.317 3.086 20 0 CGADMM Cc1cccc([C@@H]2CCN(C(=O)c3ccc([O-])c(F)c3)C2)c1 ZINC000681070771 543762831 /nfs/dbraw/zinc/76/28/31/543762831.db2.gz ZZJXKDAATIKKPR-OAHLLOKOSA-N -1 1 299.345 3.469 20 0 CGADMM CSC[C@@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000131209562 287373547 /nfs/dbraw/zinc/37/35/47/287373547.db2.gz VZZSKASOTCLJEZ-SNVBAGLBSA-N -1 1 275.373 3.027 20 0 CGADMM CC[C@H](C)n1ncc(NC(=O)c2ccc([O-])c(F)c2)c1C ZINC000682983261 543884363 /nfs/dbraw/zinc/88/43/63/543884363.db2.gz BWJSVFZUGCONQT-VIFPVBQESA-N -1 1 291.326 3.260 20 0 CGADMM Cc1nc(C(=O)Nc2ccc([O-])c(Cl)c2)sc1C ZINC000683629067 543929937 /nfs/dbraw/zinc/92/99/37/543929937.db2.gz YRIYTUNJPAFDFU-UHFFFAOYSA-N -1 1 282.752 3.371 20 0 CGADMM COc1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1Cl ZINC000684071459 543963957 /nfs/dbraw/zinc/96/39/57/543963957.db2.gz WRACWJPWCQUXFN-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CC(C)(NC(=O)c1cc2ccccc2cc1[O-])C(F)F ZINC000684344514 543983714 /nfs/dbraw/zinc/98/37/14/543983714.db2.gz XIBVUFDUYVVLQR-UHFFFAOYSA-N -1 1 279.286 3.319 20 0 CGADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccncc1 ZINC000685575111 544086497 /nfs/dbraw/zinc/08/64/97/544086497.db2.gz BJCRCEWXDNCNSF-ZETCQYMHSA-N -1 1 283.303 3.368 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)[C@@H]1C ZINC000283131928 287406762 /nfs/dbraw/zinc/40/67/62/287406762.db2.gz ZQRWYQYZIUCZBY-FXPVBKGRSA-N -1 1 283.318 3.225 20 0 CGADMM Cc1ccc(NC(=O)c2ccc(O)cc2[O-])c(Cl)c1 ZINC000192647239 227255384 /nfs/dbraw/zinc/25/53/84/227255384.db2.gz QWYOEXQLXUINRE-UHFFFAOYSA-N -1 1 277.707 3.312 20 0 CGADMM CC(C)[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2F)CCS1 ZINC000652438810 418967682 /nfs/dbraw/zinc/96/76/82/418967682.db2.gz GQJNESITTDYCNM-AWEZNQCLSA-N -1 1 297.395 3.097 20 0 CGADMM C[C@H](c1ccco1)N(C)Cc1csc(C(=O)[O-])c1 ZINC000652389393 418959666 /nfs/dbraw/zinc/95/96/66/418959666.db2.gz XWTYBBVFOMISQJ-SECBINFHSA-N -1 1 265.334 3.232 20 0 CGADMM CC[C@@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)CCS1 ZINC000652418656 418964208 /nfs/dbraw/zinc/96/42/08/418964208.db2.gz FFFJSOKTXWXGTE-LLVKDONJSA-N -1 1 299.823 3.366 20 0 CGADMM CC(C)[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)[C@H]1C(C)C ZINC000653956872 419118834 /nfs/dbraw/zinc/11/88/34/419118834.db2.gz SUWLTAGCGHUIFL-DOMZBBRYSA-N -1 1 279.355 3.284 20 0 CGADMM CCCN(CCC)C(=O)c1ncc2ccccc2c1[O-] ZINC000665102740 419055459 /nfs/dbraw/zinc/05/54/59/419055459.db2.gz XLIKNIOFSUNQEN-UHFFFAOYSA-N -1 1 272.348 3.203 20 0 CGADMM Cc1[nH]nc2ccc(-c3cn(C(C)(C)C)nc3C(=O)[O-])cc12 ZINC000657202874 419230758 /nfs/dbraw/zinc/23/07/58/419230758.db2.gz AKTBOCJMEUEAIX-UHFFFAOYSA-N -1 1 298.346 3.188 20 0 CGADMM Cc1cnc(SC[C@@H]2CC[C@H]3C[C@H]3C2)[n-]c1=O ZINC000657261889 419239301 /nfs/dbraw/zinc/23/93/01/419239301.db2.gz PQYRWXAVBKJDLF-OUAUKWLOSA-N -1 1 250.367 3.019 20 0 CGADMM CCc1nc(SCC(=O)CC(C)(C)C)[n-]c(=O)c1C ZINC000657263826 419239791 /nfs/dbraw/zinc/23/97/91/419239791.db2.gz YHJAMAJZYPCWMJ-UHFFFAOYSA-N -1 1 282.409 3.150 20 0 CGADMM CC(C)c1cccc(CS(=O)(=O)c2ccc([O-])cc2)c1 ZINC000663243593 419528948 /nfs/dbraw/zinc/52/89/48/419528948.db2.gz MTXAIFDBLXOXHD-UHFFFAOYSA-N -1 1 290.384 3.490 20 0 CGADMM CC(C)(NC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000227508119 287638122 /nfs/dbraw/zinc/63/81/22/287638122.db2.gz MMDYHIMHTADBNX-UHFFFAOYSA-N -1 1 269.344 3.464 20 0 CGADMM CO[C@@](C)(CNC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000319601503 262248579 /nfs/dbraw/zinc/24/85/79/262248579.db2.gz WYDLWPYZIQBTOE-SFHVURJKSA-N -1 1 299.370 3.090 20 0 CGADMM COc1cc(C)c(NC(=O)c2cc(F)ccc2[O-])cc1F ZINC000186063874 262311746 /nfs/dbraw/zinc/31/17/46/262311746.db2.gz HGXVOAPVFRKHRC-UHFFFAOYSA-N -1 1 293.269 3.240 20 0 CGADMM CC1=CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000230812772 287640893 /nfs/dbraw/zinc/64/08/93/287640893.db2.gz XKVRNLOWPXUTNK-UHFFFAOYSA-N -1 1 267.328 3.338 20 0 CGADMM Cc1ccc(Cc2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000230228830 270088798 /nfs/dbraw/zinc/08/87/98/270088798.db2.gz RIZVBPQRPHDFIE-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM CC(C)SCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000519805486 270097995 /nfs/dbraw/zinc/09/79/95/270097995.db2.gz AIXRNICQTKXTFI-UHFFFAOYSA-N -1 1 268.313 3.223 20 0 CGADMM CCC[C@@H](OCC)c1nc(-c2ccc([O-])cc2F)no1 ZINC000528165692 270156236 /nfs/dbraw/zinc/15/62/36/270156236.db2.gz DDKJQCOGYVRFFS-GFCCVEGCSA-N -1 1 280.299 3.459 20 0 CGADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000360661745 276010317 /nfs/dbraw/zinc/01/03/17/276010317.db2.gz CBDWDSIYSXQHJL-IINYFYTJSA-N -1 1 251.301 3.152 20 0 CGADMM CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@@H](CC)O1 ZINC000398647831 288046949 /nfs/dbraw/zinc/04/69/49/288046949.db2.gz AJPFCZKOUDQMLM-VXGBXAGGSA-N -1 1 297.782 3.075 20 0 CGADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000399681278 288053613 /nfs/dbraw/zinc/05/36/13/288053613.db2.gz QFFVGUQXKIXNOL-MWLCHTKSSA-N -1 1 267.756 3.306 20 0 CGADMM Cc1nc(SCCCCOC(C)(C)C)[n-]c(=O)c1C ZINC000473779675 288106578 /nfs/dbraw/zinc/10/65/78/288106578.db2.gz FUBFMVCWZQAQKV-UHFFFAOYSA-N -1 1 284.425 3.486 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CCCO1 ZINC000529538844 288260749 /nfs/dbraw/zinc/26/07/49/288260749.db2.gz LITVBVPKBWTTBN-CYBMUJFWSA-N -1 1 291.734 3.316 20 0 CGADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(F)c1[O-] ZINC000530006297 288282118 /nfs/dbraw/zinc/28/21/18/288282118.db2.gz ONFCTEAEQKEVHM-GWCFXTLKSA-N -1 1 281.327 3.065 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1noc2c1CCCCC2 ZINC000530007145 288282559 /nfs/dbraw/zinc/28/25/59/288282559.db2.gz YKNOCKYIXWBAFJ-UHFFFAOYSA-N -1 1 290.294 3.041 20 0 CGADMM C[C@@H]1CC(F)(F)CCN1Cc1ccc(C(=O)[O-])cc1F ZINC000530171915 288292222 /nfs/dbraw/zinc/29/22/22/288292222.db2.gz DNTAEXOTAZNCTF-SECBINFHSA-N -1 1 287.281 3.144 20 0 CGADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1csc(C2CC2)n1 ZINC000530175932 288293804 /nfs/dbraw/zinc/29/38/04/288293804.db2.gz RBINNIASIBGEOS-NXEZZACHSA-N -1 1 294.420 3.094 20 0 CGADMM Cc1ccc2nc(-c3ccc4cc[nH]c4n3)[n-]c(=O)c2c1 ZINC000429567635 281149377 /nfs/dbraw/zinc/14/93/77/281149377.db2.gz MILHAXYKYXRMDO-UHFFFAOYSA-N -1 1 276.299 3.187 20 0 CGADMM Cc1cccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)n1 ZINC000340097949 281185731 /nfs/dbraw/zinc/18/57/31/281185731.db2.gz RIBLSEIQHXWRSE-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM CCc1c(C)sc2[n-]c(-c3nccc(C)n3)nc(=O)c12 ZINC000278901847 281368492 /nfs/dbraw/zinc/36/84/92/281368492.db2.gz YMSRJHKHMQJZSK-UHFFFAOYSA-N -1 1 286.360 3.033 20 0 CGADMM FC(F)(F)c1nc(=N[C@@H]2C[C@H]2C2CCCCC2)s[n-]1 ZINC000553077414 289207265 /nfs/dbraw/zinc/20/72/65/289207265.db2.gz JVDNLFBJIDFRTI-DTWKUNHWSA-N -1 1 291.342 3.360 20 0 CGADMM CC1(C)CCC[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000561986593 289665226 /nfs/dbraw/zinc/66/52/26/289665226.db2.gz LDLSXWCAHYYIAI-SECBINFHSA-N -1 1 283.318 3.369 20 0 CGADMM CC(C)n1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000188497713 327753815 /nfs/dbraw/zinc/75/38/15/327753815.db2.gz NHXYEKNFMFMAIC-UHFFFAOYSA-N -1 1 279.727 3.075 20 0 CGADMM C[C@@H](CN(C)Cc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000565956039 322098555 /nfs/dbraw/zinc/09/85/55/322098555.db2.gz BNLJXSGPGOUMLL-NSHDSACASA-N -1 1 290.388 3.077 20 0 CGADMM Cc1cc(CN2Cc3ccccc3C3(CC3)C2)oc1C(=O)[O-] ZINC000566743016 322136714 /nfs/dbraw/zinc/13/67/14/322136714.db2.gz DVZNJGXBWYYSAU-UHFFFAOYSA-N -1 1 297.354 3.334 20 0 CGADMM CCOCC(C)(C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000379114139 328522637 /nfs/dbraw/zinc/52/26/37/328522637.db2.gz LACSHZLBIIJNGN-UHFFFAOYSA-N -1 1 287.359 3.090 20 0 CGADMM CCN(CCC1CC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000385956418 326842987 /nfs/dbraw/zinc/84/29/87/326842987.db2.gz WDXSFLWQAWKZHM-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM O=C(CCC1CC1)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000582760649 329150733 /nfs/dbraw/zinc/15/07/33/329150733.db2.gz PKVUIHSDZFKZTJ-UHFFFAOYSA-N -1 1 296.330 3.347 20 0 CGADMM Cc1ccc2oc([N-]c3cn(C)nc3C3CC3)nc2c1 ZINC000582937982 329291134 /nfs/dbraw/zinc/29/11/34/329291134.db2.gz WTXKXBXUPWGBJC-UHFFFAOYSA-N -1 1 268.320 3.491 20 0 CGADMM CCc1nc(SCCC(C)(F)F)[n-]c(=O)c1C ZINC000583095499 329315433 /nfs/dbraw/zinc/31/54/33/329315433.db2.gz LIBXKBUHBHZMCX-UHFFFAOYSA-N -1 1 262.325 3.190 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(-c2nccc3[nH]ccc32)no1 ZINC000350563822 335514273 /nfs/dbraw/zinc/51/42/73/335514273.db2.gz BZAWOZSRDMKZAC-UHFFFAOYSA-N -1 1 296.261 3.125 20 0 CGADMM C[C@@H](c1ccccc1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000383850568 336118312 /nfs/dbraw/zinc/11/83/12/336118312.db2.gz QEGPUEYCYJQKIN-NSHDSACASA-N -1 1 259.305 3.171 20 0 CGADMM COc1ccc(C)cc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000387000402 336183537 /nfs/dbraw/zinc/18/35/37/336183537.db2.gz FDYPUNYBBGNECS-UHFFFAOYSA-N -1 1 299.370 3.334 20 0 CGADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1c(F)cccc1F ZINC000436761654 533747270 /nfs/dbraw/zinc/74/72/70/533747270.db2.gz MTQVZDUSQKFFKC-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM CS[C@@H](CNC(=O)c1ccc([O-])cc1F)C(C)(C)C ZINC000436824799 533926757 /nfs/dbraw/zinc/92/67/57/533926757.db2.gz DCNMDOWGVOHJPJ-LBPRGKRZSA-N -1 1 285.384 3.039 20 0 CGADMM C[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436723937 534203899 /nfs/dbraw/zinc/20/38/99/534203899.db2.gz OVFKJYWOSKKZAA-JSGCOSHPSA-N -1 1 299.370 3.233 20 0 CGADMM C[C@@H](C[C@H]1CCCO1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436724148 534209542 /nfs/dbraw/zinc/20/95/42/534209542.db2.gz PIYSPSJOUBENSH-SWLSCSKDSA-N -1 1 299.370 3.233 20 0 CGADMM O=C([O-])C[C@@H](NCc1ccsc1)c1ccc(F)cc1F ZINC000426786859 534502940 /nfs/dbraw/zinc/50/29/40/534502940.db2.gz ZDBWGDBBYBRVHX-CYBMUJFWSA-N -1 1 297.326 3.332 20 0 CGADMM O=C([O-])[C@@H](NCc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000426775930 534515006 /nfs/dbraw/zinc/51/50/06/534515006.db2.gz VTDNSXHZLIDTKU-AWEZNQCLSA-N -1 1 295.260 3.019 20 0 CGADMM CCc1cccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC000055107437 521766971 /nfs/dbraw/zinc/76/69/71/521766971.db2.gz SNOWQTRBWCZUAQ-UHFFFAOYSA-N -1 1 298.342 3.165 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCc2cc(Cl)ccc21 ZINC000436558839 534667849 /nfs/dbraw/zinc/66/78/49/534667849.db2.gz ZSDMISPNASPKIT-UHFFFAOYSA-N -1 1 291.709 3.388 20 0 CGADMM CC(C)c1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000437004642 528096353 /nfs/dbraw/zinc/09/63/53/528096353.db2.gz MSNJTSNQWDIMPR-UHFFFAOYSA-N -1 1 297.354 3.015 20 0 CGADMM CCC(C)(C)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436996401 528538103 /nfs/dbraw/zinc/53/81/03/528538103.db2.gz KPYGJBDQMNWNBN-UHFFFAOYSA-N -1 1 285.771 3.315 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H]2CCOC(C)(C)C2)n1 ZINC000412980682 528613330 /nfs/dbraw/zinc/61/33/30/528613330.db2.gz SKAUKPUSHXFYMU-LLVKDONJSA-N -1 1 282.409 3.184 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@H]2CCC(C)(C)O2)n1 ZINC000436141554 528613401 /nfs/dbraw/zinc/61/34/01/528613401.db2.gz NXBICGYCDLHNJT-LLVKDONJSA-N -1 1 282.409 3.184 20 0 CGADMM CCOc1ccccc1CNCc1cccc(C(=O)[O-])c1 ZINC000426695576 528730516 /nfs/dbraw/zinc/73/05/16/528730516.db2.gz NRGVRMWKMASSJI-UHFFFAOYSA-N -1 1 285.343 3.073 20 0 CGADMM CCN(C(=O)c1ccccc1[O-])c1ccc(OC)cc1 ZINC000436753388 529093573 /nfs/dbraw/zinc/09/35/73/529093573.db2.gz DGGGJSVEUCTFJG-UHFFFAOYSA-N -1 1 271.316 3.068 20 0 CGADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(F)(F)F ZINC000188140131 572353961 /nfs/dbraw/zinc/35/39/61/572353961.db2.gz CIUXEDLFDIBOIH-YFKPBYRVSA-N -1 1 264.272 3.103 20 0 CGADMM Cc1oc(CN(C)[C@H](C)c2cccc(O)c2)cc1C(=O)[O-] ZINC000738966489 572397586 /nfs/dbraw/zinc/39/75/86/572397586.db2.gz FTYDNCVEFKGKQU-SNVBAGLBSA-N -1 1 289.331 3.185 20 0 CGADMM O=C([O-])c1cc(F)ccc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000740078573 572431375 /nfs/dbraw/zinc/43/13/75/572431375.db2.gz LUBKEFJTQIXGJN-HNNXBMFYSA-N -1 1 288.322 3.189 20 0 CGADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H](C)S1 ZINC000743727936 572681510 /nfs/dbraw/zinc/68/15/10/572681510.db2.gz GURNCNMYDFGJNR-DTORHVGOSA-N -1 1 285.796 3.012 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccccc2C)c1 ZINC000744482279 572757566 /nfs/dbraw/zinc/75/75/66/572757566.db2.gz RGKGFZXKEHGXJQ-UHFFFAOYSA-N -1 1 298.338 3.303 20 0 CGADMM Cc1cccc(CCNC(=O)c2c([O-])cccc2Cl)c1 ZINC000749270357 572991361 /nfs/dbraw/zinc/99/13/61/572991361.db2.gz SVUJHEDBIBTHSI-UHFFFAOYSA-N -1 1 289.762 3.327 20 0 CGADMM CN(Cc1ccsc1C(=O)[O-])Cc1cccc(F)c1 ZINC000110955252 601804288 /nfs/dbraw/zinc/80/42/88/601804288.db2.gz PPAFGWALIBLMJJ-UHFFFAOYSA-N -1 1 279.336 3.217 20 0 CGADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC000050920787 597207697 /nfs/dbraw/zinc/20/76/97/597207697.db2.gz SOPGXXALFRTWCU-NSHDSACASA-N -1 1 273.307 3.375 20 0 CGADMM C[C@H](N[C@H](C(=O)[O-])c1ccccc1)c1cc(F)ccc1F ZINC000050508429 600421998 /nfs/dbraw/zinc/42/19/98/600421998.db2.gz SFWLRPQHJNKNOT-BONVTDFDSA-N -1 1 291.297 3.441 20 0 CGADMM C[C@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[O-] ZINC000212717051 600985105 /nfs/dbraw/zinc/98/51/05/600985105.db2.gz UNOMGZVVCXTCTH-YFKPBYRVSA-N -1 1 290.266 3.147 20 0 CGADMM CN(Cc1cccc(F)c1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234310779 601613795 /nfs/dbraw/zinc/61/37/95/601613795.db2.gz JHQMYQKZTQURGL-UHFFFAOYSA-N -1 1 291.297 3.295 20 0 CGADMM Cc1[n-]n(-c2nccc3sccc32)c(=O)c1C(C)C ZINC000899348617 620651163 /nfs/dbraw/zinc/65/11/63/620651163.db2.gz FPPXKZRTVUVPPW-GFCCVEGCSA-N -1 1 273.361 3.291 20 0 CGADMM Cc1cccc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)c1Cl ZINC000899362616 620668856 /nfs/dbraw/zinc/66/88/56/620668856.db2.gz YJEMWSJJSDIIPD-UFBFGSQYSA-N -1 1 262.740 3.397 20 0 CGADMM O=C([O-])c1cc(CN2CCC[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000833778561 604526558 /nfs/dbraw/zinc/52/65/58/604526558.db2.gz BQPIQUMVXPYOGQ-HNNXBMFYSA-N -1 1 288.322 3.189 20 0 CGADMM O=C([O-])Nc1cccc(NCc2ccc3nc[nH]c3c2)c1 ZINC000833290710 604644984 /nfs/dbraw/zinc/64/49/84/604644984.db2.gz YVJDRKVSINVYGB-UHFFFAOYSA-N -1 1 282.303 3.265 20 0 CGADMM O=C([O-])[C@H]1CC12CCN(Cc1cscc1Cl)CC2 ZINC000833771953 604651289 /nfs/dbraw/zinc/65/12/89/604651289.db2.gz VPKAULOQXVDKBE-SNVBAGLBSA-N -1 1 285.796 3.088 20 0 CGADMM CC1(C)CN(Cc2occc2C(=O)[O-])Cc2ccccc21 ZINC000833561417 604779120 /nfs/dbraw/zinc/77/91/20/604779120.db2.gz JUWXACWLHCCKRF-UHFFFAOYSA-N -1 1 285.343 3.271 20 0 CGADMM CC(C)c1cnc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)o1 ZINC000833511397 604941838 /nfs/dbraw/zinc/94/18/38/604941838.db2.gz PVPXAYWHTWJJSU-GFCCVEGCSA-N -1 1 294.395 3.121 20 0 CGADMM CCc1cnccc1[C@@H](C)NCc1cc(C(=O)[O-])oc1C ZINC000833675695 605271615 /nfs/dbraw/zinc/27/16/15/605271615.db2.gz ZRFALENWVXKNHB-SNVBAGLBSA-N -1 1 288.347 3.094 20 0 CGADMM Clc1ccc(Sc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826352540 607894980 /nfs/dbraw/zinc/89/49/80/607894980.db2.gz FOBBVCBXXUMKTE-UHFFFAOYSA-N -1 1 289.751 3.066 20 0 CGADMM Clc1ccc(Sc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826352540 607894981 /nfs/dbraw/zinc/89/49/81/607894981.db2.gz FOBBVCBXXUMKTE-UHFFFAOYSA-N -1 1 289.751 3.066 20 0 CGADMM Cc1sc([C@H](C)NCc2cccs2)nc1C(=O)[O-] ZINC000900075098 620755717 /nfs/dbraw/zinc/75/57/17/620755717.db2.gz KHWUZCCNQRUDSC-ZETCQYMHSA-N -1 1 282.390 3.062 20 0 CGADMM Cc1sc([C@@H](C)NCc2cccc(C)c2)nc1C(=O)[O-] ZINC000900074769 620755771 /nfs/dbraw/zinc/75/57/71/620755771.db2.gz CVKPYUFDYDDXAR-SNVBAGLBSA-N -1 1 290.388 3.309 20 0 CGADMM CCC(C)(C)N(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900757788 620808214 /nfs/dbraw/zinc/80/82/14/620808214.db2.gz JNLYLQRIRDMLSX-UHFFFAOYSA-N -1 1 290.338 3.340 20 0 CGADMM CCCC[C@@H](Nc1ccnc(C)c1Cl)C(=O)[O-] ZINC000263552241 618755656 /nfs/dbraw/zinc/75/56/56/618755656.db2.gz LTDAUESAUHYHOB-SNVBAGLBSA-N -1 1 256.733 3.099 20 0 CGADMM Cc1cccc2c1C(=O)N[C@H](c1ccc([O-])c(Cl)c1)N2 ZINC000067438809 619729872 /nfs/dbraw/zinc/72/98/72/619729872.db2.gz DEUBDBSLXSTKLC-CQSZACIVSA-N -1 1 288.734 3.208 20 0 CGADMM Cc1noc(C(C)C)c1[N-]C(=O)c1coc(C2CC2)n1 ZINC000928787232 620220000 /nfs/dbraw/zinc/22/00/00/620220000.db2.gz IOPRCNOMEZXTEA-UHFFFAOYSA-N -1 1 275.308 3.224 20 0 CGADMM CCc1c(C)[n-]n(-c2cccc(F)c2Br)c1=O ZINC000871964765 620272093 /nfs/dbraw/zinc/27/20/93/620272093.db2.gz ZJOUBEOEUZRRFL-QMMMGPOBSA-N -1 1 299.143 3.337 20 0 CGADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)c(F)c1 ZINC000263475038 620321268 /nfs/dbraw/zinc/32/12/68/620321268.db2.gz FEXLHMOASCZJDH-ONGXEEELSA-N -1 1 285.746 3.164 20 0 CGADMM O=C(C[C@H]1CCC2(CCC2)O1)Nc1ccc([O-])c(F)c1F ZINC000897930412 620450390 /nfs/dbraw/zinc/45/03/90/620450390.db2.gz ATUUJIXNMAEFBX-SECBINFHSA-N -1 1 297.301 3.101 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC=C(Cl)C1 ZINC000898191777 620492049 /nfs/dbraw/zinc/49/20/49/620492049.db2.gz UAAPHYZGJCRVDY-UHFFFAOYSA-N -1 1 272.131 3.014 20 0 CGADMM Cc1cc(NC(=O)c2ccc([O-])cc2F)c(C)c(C)c1O ZINC000185758982 625435318 /nfs/dbraw/zinc/43/53/18/625435318.db2.gz YXWPFQQHDYGXSW-UHFFFAOYSA-N -1 1 289.306 3.414 20 0 CGADMM CCOCCCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901618323 620947610 /nfs/dbraw/zinc/94/76/10/620947610.db2.gz DOEPBWBATQMCHM-UHFFFAOYSA-N -1 1 290.388 3.368 20 0 CGADMM Cc1ccc(CCCN2Cc3ccc(C(=O)[O-])cc3C2)cn1 ZINC000901646926 620962166 /nfs/dbraw/zinc/96/21/66/620962166.db2.gz DBRXFXPLSNVHRI-UHFFFAOYSA-N -1 1 296.370 3.037 20 0 CGADMM CC[C@H](C)C[C@@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000901676588 620966200 /nfs/dbraw/zinc/96/62/00/620966200.db2.gz XKPSQRXBPUXJJJ-CMPLNLGQSA-N -1 1 298.452 3.420 20 0 CGADMM CC(C)(C)c1cnc(CN2CCC[C@@](C)(C(=O)[O-])C2)s1 ZINC000901701373 620993590 /nfs/dbraw/zinc/99/35/90/620993590.db2.gz YYLMIVHPUFFMOS-OAHLLOKOSA-N -1 1 296.436 3.127 20 0 CGADMM CCc1oc(CNCc2sccc2C)cc1C(=O)[O-] ZINC000902098637 621148066 /nfs/dbraw/zinc/14/80/66/621148066.db2.gz UWTRXTJTQMLQAA-UHFFFAOYSA-N -1 1 279.361 3.200 20 0 CGADMM CCOc1cccc([C@@H](C)NCc2ccoc2C(=O)[O-])c1 ZINC000902166330 621182361 /nfs/dbraw/zinc/18/23/61/621182361.db2.gz UXZFXVGIOLKVCU-LLVKDONJSA-N -1 1 289.331 3.227 20 0 CGADMM Cc1ccc2c(c1)[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)CC2 ZINC000902230708 621203268 /nfs/dbraw/zinc/20/32/68/621203268.db2.gz KNAKZAMGKRKBNX-LKUPDRCFSA-N -1 1 297.354 3.463 20 0 CGADMM Cc1ccccc1[C@H](NCc1cc(C(=O)[O-])no1)C(C)C ZINC000902250241 621221022 /nfs/dbraw/zinc/22/10/22/621221022.db2.gz OZKLWYDSFZHLCZ-OAHLLOKOSA-N -1 1 288.347 3.168 20 0 CGADMM CC1(C)C[C@]1(NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000902331275 621267217 /nfs/dbraw/zinc/26/72/17/621267217.db2.gz YSBDEUDPLDSPCY-KRWDZBQOSA-N -1 1 285.343 3.393 20 0 CGADMM CCc1ccc(C(C)(C)NCc2cccc(C(=O)[O-])n2)cc1 ZINC000902331834 621267705 /nfs/dbraw/zinc/26/77/05/621267705.db2.gz PWPAGLMHSVRQFP-UHFFFAOYSA-N -1 1 298.386 3.367 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])cs1)Cc1occc1C ZINC000902380136 621288821 /nfs/dbraw/zinc/28/88/21/621288821.db2.gz HFZRCPDWSKMAKP-UHFFFAOYSA-N -1 1 279.361 3.370 20 0 CGADMM CCc1oc(CNCc2cscc2C)cc1C(=O)[O-] ZINC000902401848 621307112 /nfs/dbraw/zinc/30/71/12/621307112.db2.gz ABZBWWCAOYDGIV-UHFFFAOYSA-N -1 1 279.361 3.200 20 0 CGADMM C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902532180 621364869 /nfs/dbraw/zinc/36/48/69/621364869.db2.gz YBFITXSFOLYBBB-VIFPVBQESA-N -1 1 287.281 3.388 20 0 CGADMM O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000903698439 621791751 /nfs/dbraw/zinc/79/17/51/621791751.db2.gz USPJTLWSSJVNGA-GFCCVEGCSA-N -1 1 297.782 3.265 20 0 CGADMM CC[C@H](NCC(C)=Cc1ccccc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064805 621862119 /nfs/dbraw/zinc/86/21/19/621862119.db2.gz MWXPSHHYMFGDPB-UQTJOTSZSA-N -1 1 299.374 3.252 20 0 CGADMM O=C([O-])N[C@@H]1C[C@H](Nc2ccc3cnccc3c2)C12CCC2 ZINC000904248243 621891988 /nfs/dbraw/zinc/89/19/88/621891988.db2.gz ZURBRSHFCNGILA-LSDHHAIUSA-N -1 1 297.358 3.226 20 0 CGADMM C[C@H](C(=O)Nc1cc([O-])c(F)cc1F)C(C)(C)C ZINC000909980823 622442558 /nfs/dbraw/zinc/44/25/58/622442558.db2.gz GNKCICCMKYNCQE-SSDOTTSWSA-N -1 1 257.280 3.291 20 0 CGADMM CC1CCC(OCC(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC000909986478 622443811 /nfs/dbraw/zinc/44/38/11/622443811.db2.gz MKZHXUGNSTZTGF-UHFFFAOYSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(C[C@H]1C=CCCC1)Nc1cc(F)cc(F)c1[O-] ZINC000910984236 622513221 /nfs/dbraw/zinc/51/32/21/622513221.db2.gz VAOGSEHZIBPEGB-VIFPVBQESA-N -1 1 267.275 3.355 20 0 CGADMM CCCc1nc(C)c(C(=O)Nc2cc(F)cc(F)c2[O-])o1 ZINC000910987829 622513559 /nfs/dbraw/zinc/51/35/59/622513559.db2.gz NKCIUDBQCNMHQX-UHFFFAOYSA-N -1 1 296.273 3.172 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CC=CC12CCCC2 ZINC000913206611 622746495 /nfs/dbraw/zinc/74/64/95/622746495.db2.gz IDWQAAVMKPKTFR-UHFFFAOYSA-N -1 1 294.354 3.265 20 0 CGADMM C[C@]1(c2nc(-c3ccc([O-])cc3F)no2)C=CCC1 ZINC000924004592 623864031 /nfs/dbraw/zinc/86/40/31/623864031.db2.gz IBAJGYKRDITYJL-AWEZNQCLSA-N -1 1 260.268 3.189 20 0 CGADMM CCc1onc(C)c1CSc1nc(CC)c(C)c(=O)[n-]1 ZINC000917842929 624315137 /nfs/dbraw/zinc/31/51/37/624315137.db2.gz LNFFFLWDENICNA-UHFFFAOYSA-N -1 1 293.392 3.204 20 0 CGADMM Cc1cc(Cl)cc(C)c1C=C1SC(=S)[N-]C1=O ZINC000182248305 624967237 /nfs/dbraw/zinc/96/72/37/624967237.db2.gz XJEBTOSIRMYAJS-YHYXMXQVSA-N -1 1 283.805 3.446 20 0 CGADMM C[C@@]1(NC(=O)c2c([O-])cccc2Cl)CC=CCC1 ZINC000838317090 626213309 /nfs/dbraw/zinc/21/33/09/626213309.db2.gz RVDUMQXXZOGUJW-CQSZACIVSA-N -1 1 265.740 3.274 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)C2CCC2)c1 ZINC000838387260 626219356 /nfs/dbraw/zinc/21/93/56/626219356.db2.gz CQQPJJHVAIVVSL-NSHDSACASA-N -1 1 290.359 3.117 20 0 CGADMM CCc1cccnc1[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000751597688 626398242 /nfs/dbraw/zinc/39/82/42/626398242.db2.gz ZVYUTGHVDQLMKP-ZRDIBKRKSA-N -1 1 288.372 3.057 20 0 CGADMM CC[C@@H](C)CCCCC(=O)[N-]OCC(F)(F)F ZINC000752580349 626433100 /nfs/dbraw/zinc/43/31/00/626433100.db2.gz PGTZYBDSKWVGSA-SECBINFHSA-N -1 1 255.280 3.203 20 0 CGADMM CC(C)[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000755863742 626654571 /nfs/dbraw/zinc/65/45/71/626654571.db2.gz KCKSOQUFZWEIQP-JTQLQIEISA-N -1 1 267.756 3.164 20 0 CGADMM C[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)C[C@@H]1C ZINC000767152991 627386158 /nfs/dbraw/zinc/38/61/58/627386158.db2.gz JMDDEKHIDDMETM-ZJUUUORDSA-N -1 1 267.756 3.164 20 0 CGADMM CC(C)(NC(=O)c1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000767960665 627446638 /nfs/dbraw/zinc/44/66/38/627446638.db2.gz ROOBCAYNFLKVCH-UHFFFAOYSA-N -1 1 291.297 3.336 20 0 CGADMM C[C@@H](CC(F)(F)F)NC(=O)c1c([O-])cccc1Cl ZINC000768576508 627487395 /nfs/dbraw/zinc/48/73/95/627487395.db2.gz NCDURFIMSILWPL-LURJTMIESA-N -1 1 281.661 3.116 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H]2CCC[C@@H]21 ZINC000769921155 627589757 /nfs/dbraw/zinc/58/97/57/627589757.db2.gz KMUWFXOLZCSWML-JQWIXIFHSA-N -1 1 279.767 3.450 20 0 CGADMM C[C@H]1CCCN(C(=O)c2c([O-])cccc2Cl)[C@H]1C ZINC000769920271 627589941 /nfs/dbraw/zinc/58/99/41/627589941.db2.gz XNNIFFDUDHHGSN-UWVGGRQHSA-N -1 1 267.756 3.306 20 0 CGADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C(C)(C)C1 ZINC000769937956 627591149 /nfs/dbraw/zinc/59/11/49/627591149.db2.gz UYWXTLHEHBZZNS-SECBINFHSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(OCCC1CCCC1)c1ccc([O-])cc1F ZINC000773567717 627897427 /nfs/dbraw/zinc/89/74/27/627897427.db2.gz WXFKVUCBANVUQZ-UHFFFAOYSA-N -1 1 252.285 3.268 20 0 CGADMM Cc1cccc(OCCOC(=O)c2ccc([O-])cc2F)c1 ZINC000773573464 627897751 /nfs/dbraw/zinc/89/77/51/627897751.db2.gz OBKVBQBCFDPHBJ-UHFFFAOYSA-N -1 1 290.290 3.076 20 0 CGADMM CCN(C)[C@@H](C(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000779322356 628407992 /nfs/dbraw/zinc/40/79/92/628407992.db2.gz NFIMRHQBZAPJBF-MRXNPFEDSA-N -1 1 290.407 3.060 20 0 CGADMM O=C(COC(=O)c1ccc([O-])cc1F)C1CCCCCC1 ZINC000788960274 629092007 /nfs/dbraw/zinc/09/20/07/629092007.db2.gz FNMXYRYSPVGMOL-UHFFFAOYSA-N -1 1 294.322 3.228 20 0 CGADMM CCC[C@H](C)CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000789931282 629174633 /nfs/dbraw/zinc/17/46/33/629174633.db2.gz GILCTQFEKFZLLB-QMMMGPOBSA-N -1 1 256.733 3.205 20 0 CGADMM CC/C(C)=C(\C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863476777 629585731 /nfs/dbraw/zinc/58/57/31/629585731.db2.gz NTECECYJVJEOMB-VAWYXSNFSA-N -1 1 285.347 3.263 20 0 CGADMM Cc1nc(SCC[C@@H](O)c2ccccc2)[n-]c(=O)c1C ZINC000795231085 629649337 /nfs/dbraw/zinc/64/93/37/629649337.db2.gz YCTYDAVSSBQMJX-CYBMUJFWSA-N -1 1 290.388 3.015 20 0 CGADMM O=C(C[C@H]1CCC(F)(F)C1)Nc1c([O-])cccc1F ZINC000797958263 630008145 /nfs/dbraw/zinc/00/81/45/630008145.db2.gz IWQFULQVKROLRK-MRVPVSSYSA-N -1 1 273.254 3.295 20 0 CGADMM O=C([N-][C@@H]1C[C@H]1c1ccc2ccccc2c1)C(F)(F)F ZINC000798013233 630015355 /nfs/dbraw/zinc/01/53/55/630015355.db2.gz MXUIZKOASSZOQL-QWHCGFSZSA-N -1 1 279.261 3.374 20 0 CGADMM Cc1nc(S[C@H](C)C(=O)C(C)(C)C)[n-]c(=O)c1C1CC1 ZINC000865373238 630081103 /nfs/dbraw/zinc/08/11/03/630081103.db2.gz LNXBZJUXTLZNQX-SECBINFHSA-N -1 1 294.420 3.464 20 0 CGADMM CCOc1cc(C(=O)N2CCC[C@@H]3C[C@@H]32)cc(Cl)c1[O-] ZINC000804298735 630517243 /nfs/dbraw/zinc/51/72/43/630517243.db2.gz VOUPVJGFGXLVNY-SKDRFNHKSA-N -1 1 295.766 3.069 20 0 CGADMM Cc1cc2c(cc1C)N(C(=O)c1ccccc1[O-])CC2 ZINC000804321356 630519622 /nfs/dbraw/zinc/51/96/22/630519622.db2.gz QBRYVWVZTBOTFL-UHFFFAOYSA-N -1 1 267.328 3.212 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC2(CCC2)CC1 ZINC000804623647 630544115 /nfs/dbraw/zinc/54/41/15/630544115.db2.gz RGNDNYCJLOUNSA-UHFFFAOYSA-N -1 1 279.767 3.452 20 0 CGADMM O=C(CCCc1ccccc1Cl)[N-]OCC(F)(F)F ZINC000810598337 630901223 /nfs/dbraw/zinc/90/12/23/630901223.db2.gz MAKYFFQELWKOCX-UHFFFAOYSA-N -1 1 295.688 3.273 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2csc(Cl)n2)n1 ZINC000840205309 630917192 /nfs/dbraw/zinc/91/71/92/630917192.db2.gz CNXMBHPRJGDMMV-UHFFFAOYSA-N -1 1 287.797 3.147 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@@H]1CCCc2ccccc21 ZINC000816980465 632068449 /nfs/dbraw/zinc/06/84/49/632068449.db2.gz LQLHAYXWYKSQHG-SWLSCSKDSA-N -1 1 261.365 3.200 20 0 CGADMM COc1cnc(C=Cc2ccccc2C(F)(F)F)[n-]c1=O ZINC000821013264 632711151 /nfs/dbraw/zinc/71/11/51/632711151.db2.gz XLISSCILGFSZDT-VOTSOKGWSA-N -1 1 296.248 3.380 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000821980164 632851711 /nfs/dbraw/zinc/85/17/11/632851711.db2.gz JNUXNOHNRJPHQI-ILWJIGKKSA-N -1 1 281.302 3.435 20 0 CGADMM C[C@H](CNC(=O)Cc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000865892688 632942887 /nfs/dbraw/zinc/94/28/87/632942887.db2.gz HNVISSMZNFXZEE-SNVBAGLBSA-N -1 1 283.799 3.387 20 0 CGADMM O=c1nc(N2CCC[C@@H](C3CCC3)CC2)cc(Cl)[n-]1 ZINC000866121501 633005464 /nfs/dbraw/zinc/00/54/64/633005464.db2.gz QLBPFCPNJMNAOB-LLVKDONJSA-N -1 1 281.787 3.242 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCCCC1CC1 ZINC000825655913 633371026 /nfs/dbraw/zinc/37/10/26/633371026.db2.gz XMEUFFIOXFPXRT-UHFFFAOYSA-N -1 1 281.783 3.285 20 0 CGADMM CCc1[n-]n(-c2ccccc2C(F)(F)F)c(=O)c1F ZINC000871940478 633921185 /nfs/dbraw/zinc/92/11/85/633921185.db2.gz SLGIJLKSHSHOOP-SNVBAGLBSA-N -1 1 274.217 3.156 20 0 CGADMM CC(C)CCc1cc(=O)n(-c2ccnc(Cl)c2)[n-]1 ZINC000871953639 633925132 /nfs/dbraw/zinc/92/51/32/633925132.db2.gz XSWBAMKYJIOTFS-UHFFFAOYSA-N -1 1 265.744 3.264 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCC[C@@H]1C=CCC1 ZINC000834313251 634138673 /nfs/dbraw/zinc/13/86/73/634138673.db2.gz FQWWMEKODPAOHQ-GFCCVEGCSA-N -1 1 293.794 3.451 20 0 CGADMM O=C(NCCC[C@@H]1C=CCC1)c1c(F)ccc([O-])c1F ZINC000834327355 634143766 /nfs/dbraw/zinc/14/37/66/634143766.db2.gz SAUCIYFLNKAFQM-SNVBAGLBSA-N -1 1 281.302 3.147 20 0 CGADMM CC[C@H](C)[C@@H]([N-]C(=O)C(F)(F)CC)C(F)(F)F ZINC000834544281 634179887 /nfs/dbraw/zinc/17/98/87/634179887.db2.gz SZXZWVMKGYSKFW-NKWVEPMBSA-N -1 1 261.234 3.125 20 0 CGADMM C[C@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C1CCC1 ZINC000872951586 634224596 /nfs/dbraw/zinc/22/45/96/634224596.db2.gz MUMFJPONNGKQES-VIFPVBQESA-N -1 1 282.771 3.033 20 0 CGADMM CCCc1[nH]ccc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834822359 634248069 /nfs/dbraw/zinc/24/80/69/634248069.db2.gz LPXUTVPIMNNJSG-UHFFFAOYSA-N -1 1 292.766 3.256 20 0 CGADMM C[C@H]1CC[C@@H](CCC(=O)NCc2ccc([O-])c(Cl)c2)O1 ZINC000834828828 634248917 /nfs/dbraw/zinc/24/89/17/634248917.db2.gz ASRPYCMIPAJQBD-JQWIXIFHSA-N -1 1 297.782 3.010 20 0 CGADMM CCC(C)(C)CC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834829077 634250409 /nfs/dbraw/zinc/25/04/09/634250409.db2.gz KFDSOQMFOMOBHB-UHFFFAOYSA-N -1 1 269.772 3.488 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)C(F)=C1CCCC1 ZINC000834829374 634250463 /nfs/dbraw/zinc/25/04/63/634250463.db2.gz VNFXNNDDNSMZIY-UHFFFAOYSA-N -1 1 283.730 3.459 20 0 CGADMM Cc1cc(CNCc2ccc(C(=O)[O-])c(C)c2)c(C)o1 ZINC000841821823 635238790 /nfs/dbraw/zinc/23/87/90/635238790.db2.gz JATCAEDIJQRNBX-UHFFFAOYSA-N -1 1 273.332 3.193 20 0 CGADMM O=C1N[C@@H](c2cccc([O-])c2Cl)Nc2cc(F)ccc21 ZINC000877847898 635239105 /nfs/dbraw/zinc/23/91/05/635239105.db2.gz FFYFNUTXPZIMTD-ZDUSSCGKSA-N -1 1 292.697 3.039 20 0 CGADMM CC[C@@H](C)CON=C(O)N=c1s[nH]c2ccccc21 ZINC000879824303 635869529 /nfs/dbraw/zinc/86/95/29/635869529.db2.gz ZZCPNXYDCMJPNO-SECBINFHSA-N -1 1 279.365 3.396 20 0 CGADMM O=C(NCC[C@H]1CCCC1(F)F)c1c([O-])cccc1F ZINC000881582182 636150546 /nfs/dbraw/zinc/15/05/46/636150546.db2.gz CVHSEMWENWWHHE-SECBINFHSA-N -1 1 287.281 3.087 20 0 CGADMM CC(C)c1ccccc1CNCc1cc(C(=O)[O-])co1 ZINC000846778117 636238222 /nfs/dbraw/zinc/23/82/22/636238222.db2.gz QNYCMGXOWKHXKS-UHFFFAOYSA-N -1 1 273.332 3.391 20 0 CGADMM CCC[C@H](C)CC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000882575287 636359680 /nfs/dbraw/zinc/35/96/80/636359680.db2.gz CMVGBUJISUKITB-VIFPVBQESA-N -1 1 295.351 3.322 20 0 CGADMM [O-]c1ccc(CNc2cc(C3CC3)ncn2)cc1Cl ZINC000882716305 636394487 /nfs/dbraw/zinc/39/44/87/636394487.db2.gz KIXOCDYQPJTGJI-UHFFFAOYSA-N -1 1 275.739 3.325 20 0 CGADMM CC(C)c1c[nH]c(CNc2ccc(-n3ccc(=O)[n-]3)cc2)n1 ZINC000883191176 636575126 /nfs/dbraw/zinc/57/51/26/636575126.db2.gz VSCVUIXAWUTHEP-UHFFFAOYSA-N -1 1 297.362 3.037 20 0 CGADMM CCC[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000086733624 636782506 /nfs/dbraw/zinc/78/25/06/636782506.db2.gz QTGOLFVLQALQRZ-ZYHUDNBSSA-N -1 1 261.321 3.337 20 0 CGADMM CSC(C)(C)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000135398648 637128576 /nfs/dbraw/zinc/12/85/76/637128576.db2.gz SAAKZQKSMBTLKZ-UHFFFAOYSA-N -1 1 289.400 3.417 20 0 CGADMM CC[C@H]1CC[C@H](C(=O)Nc2cc(F)c([O-])cc2Cl)O1 ZINC000885676487 637283457 /nfs/dbraw/zinc/28/34/57/637283457.db2.gz OTHWBGVKQYJAET-JVXZTZIISA-N -1 1 287.718 3.081 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CC=CCC1 ZINC000885673981 637283964 /nfs/dbraw/zinc/28/39/64/637283964.db2.gz BJZQJUHCOVSCPR-QMMMGPOBSA-N -1 1 269.703 3.480 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000885676340 637283998 /nfs/dbraw/zinc/28/39/98/637283998.db2.gz NKEJJTGEPQCIAN-IYOMYWLESA-N -1 1 269.703 3.169 20 0 CGADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680132 637285293 /nfs/dbraw/zinc/28/52/93/637285293.db2.gz MIYTVNMYMFDTRG-XGEHTFHBSA-N -1 1 283.730 3.415 20 0 CGADMM O=C([N-]Oc1ccccc1)C1CCC(C2CC2)CC1 ZINC000854535554 638067544 /nfs/dbraw/zinc/06/75/44/638067544.db2.gz BQQTYOLQOAMIMQ-UHFFFAOYSA-N -1 1 259.349 3.313 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C=C[C@]1(C)CC[C@@H](C)C1(C)C ZINC000854633212 638078809 /nfs/dbraw/zinc/07/88/09/638078809.db2.gz SIYZJLIIUAPIHY-NKZWGKNUSA-N -1 1 291.395 3.381 20 0 CGADMM CC(C)(C)C[C@H]1CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858373706 638696712 /nfs/dbraw/zinc/69/67/12/638696712.db2.gz OIZKJGLTOHGUCQ-SECBINFHSA-N -1 1 269.776 3.241 20 0 CGADMM O=c1nc(N(CC2CC2)C2CCCCC2)cc(Cl)[n-]1 ZINC000858387851 638701319 /nfs/dbraw/zinc/70/13/19/638701319.db2.gz IQHUZEOKSRINGB-UHFFFAOYSA-N -1 1 281.787 3.385 20 0 CGADMM CC(C)(C)C1CCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858416273 638709139 /nfs/dbraw/zinc/70/91/39/638709139.db2.gz YFBROXSMEAGSLK-UHFFFAOYSA-N -1 1 269.776 3.098 20 0 CGADMM CC(C)C(CNc1cc(Cl)[n-]c(=O)n1)C(C)C ZINC000858508933 638748848 /nfs/dbraw/zinc/74/88/48/638748848.db2.gz JINODERSCXBXSC-UHFFFAOYSA-N -1 1 257.765 3.176 20 0 CGADMM CC(C)(C)C[C@@H]1C[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858605129 639000917 /nfs/dbraw/zinc/00/09/17/639000917.db2.gz OUPHKIWUPCEFJR-JGVFFNPUSA-N -1 1 255.749 3.072 20 0 CGADMM O=C([N-]c1ccccc1SC(F)F)c1cnsn1 ZINC000047412336 640013361 /nfs/dbraw/zinc/01/33/61/640013361.db2.gz LEWAETWNGFQDTN-UHFFFAOYSA-N -1 1 287.316 3.105 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2ccccc2[nH]1 ZINC000188369492 640134088 /nfs/dbraw/zinc/13/40/88/640134088.db2.gz ZIJQZGVBLNERFO-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM Cc1ccc2ccc(C(=O)NC(C)(C)C3CC3)c([O-])c2n1 ZINC001155660933 805601498 /nfs/dbraw/zinc/60/14/98/805601498.db2.gz XETKQFKNELGSMH-UHFFFAOYSA-N -1 1 284.359 3.167 20 0 CGADMM Cc1ccc2ccc(C(=O)N3C[C@@H](C)CC34CC4)c([O-])c2n1 ZINC001155658995 805601590 /nfs/dbraw/zinc/60/15/90/805601590.db2.gz WILVVTUJQDPLHO-NSHDSACASA-N -1 1 296.370 3.263 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3c(c2)OCCO3)cc1F ZINC001250626894 805736203 /nfs/dbraw/zinc/73/62/03/805736203.db2.gz ISULCCDGIHWEHX-UHFFFAOYSA-N -1 1 264.227 3.109 20 0 CGADMM COc1cc(-c2c(Cl)ccc([O-])c2F)ccn1 ZINC001250664631 805751079 /nfs/dbraw/zinc/75/10/79/805751079.db2.gz AJONAVJSJPMEAD-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM COc1ccc2nc(-c3c([O-])cccc3F)n(C)c2c1 ZINC001250674009 805753398 /nfs/dbraw/zinc/75/33/98/805753398.db2.gz IODHALNARUSVKS-UHFFFAOYSA-N -1 1 272.279 3.094 20 0 CGADMM CCC[C@@](C)(CC)C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC001157105528 805778025 /nfs/dbraw/zinc/77/80/25/805778025.db2.gz MXRLKMCMTPKMGT-OAHLLOKOSA-N -1 1 295.383 3.130 20 0 CGADMM Cc1ccc2[nH]c(-c3cc(Cl)ncc3[O-])nc2c1F ZINC001251251888 805872335 /nfs/dbraw/zinc/87/23/35/805872335.db2.gz LGWJREWKTVZVGG-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM COc1ccc(-c2nnc(-c3ccc([O-])c(F)c3)o2)cc1 ZINC001252022480 805975388 /nfs/dbraw/zinc/97/53/88/805975388.db2.gz MAZWUQCUPPCXEJ-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM [O-]c1ccc(-c2nnc(Cc3ccc(Cl)cc3)o2)nn1 ZINC001254280527 806377697 /nfs/dbraw/zinc/37/76/97/806377697.db2.gz QULNCNKSEDRMFC-UHFFFAOYSA-N -1 1 288.694 3.037 20 0 CGADMM COc1c(F)cc(Nc2ccnc(Cl)c2[O-])cc1F ZINC001211679133 814930880 /nfs/dbraw/zinc/93/08/80/814930880.db2.gz XDUIPNYIDKPZMV-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM [O-]c1cc(O)ccc1-c1nnc([C@H]2C[C@H]2c2ccccc2)o1 ZINC001254513094 806433157 /nfs/dbraw/zinc/43/31/57/806433157.db2.gz NAUVNRDNXXOCPU-KBPBESRZSA-N -1 1 294.310 3.419 20 0 CGADMM C[C@H](C(=O)Nc1cc(F)cc(F)c1[O-])c1cccc(O)c1 ZINC001162295508 806551486 /nfs/dbraw/zinc/55/14/86/806551486.db2.gz IIUHBMKFYHXDPK-QMMMGPOBSA-N -1 1 293.269 3.118 20 0 CGADMM Cc1cccc([O-])c1C(=O)Nc1ccc2c(c1)CCCC2=O ZINC001162988964 806691518 /nfs/dbraw/zinc/69/15/18/806691518.db2.gz CNQRELCOBKNEBC-UHFFFAOYSA-N -1 1 295.338 3.472 20 0 CGADMM Cc1ccc([C@H](NCc2cccs2)C(=O)[O-])cc1C ZINC000037966677 798880751 /nfs/dbraw/zinc/88/07/51/798880751.db2.gz NKGLPRUWKYUOQY-AWEZNQCLSA-N -1 1 275.373 3.280 20 0 CGADMM [O-]c1c(F)cc(CN2CCc3ccc(F)cc3C2)cc1F ZINC000093383839 798964561 /nfs/dbraw/zinc/96/45/61/798964561.db2.gz XZDGUOCRLLSAQN-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM C[C@H]1C[C@H]1c1nnc(-c2cccc([O-])c2Cl)o1 ZINC001256751245 806972368 /nfs/dbraw/zinc/97/23/68/806972368.db2.gz YDCNFXGGFKVUJX-POYBYMJQSA-N -1 1 250.685 3.219 20 0 CGADMM COc1cc(-c2nnc([C@@H]3C[C@H]3C)o2)cc(Cl)c1[O-] ZINC001256765730 806973844 /nfs/dbraw/zinc/97/38/44/806973844.db2.gz ZHTBHRVHJOHXTB-HTRCEHHLSA-N -1 1 280.711 3.228 20 0 CGADMM Cc1cnc(C(=O)N(CCc2ccccc2)C(C)C)c([O-])c1 ZINC001116693168 802396700 /nfs/dbraw/zinc/39/67/00/802396700.db2.gz FNVGOVLCNSRDDI-UHFFFAOYSA-N -1 1 298.386 3.189 20 0 CGADMM C[S@](=N)(=O)c1ccc(-c2cc(F)c([O-])c(F)c2)cc1 ZINC001244096284 803183491 /nfs/dbraw/zinc/18/34/91/803183491.db2.gz GVEUXZYHVGMKLP-IBGZPJMESA-N -1 1 283.299 3.373 20 0 CGADMM C=CC(=O)Oc1ccc(-c2cc(F)c([O-])c(F)c2)cc1 ZINC001244098762 803186686 /nfs/dbraw/zinc/18/66/86/803186686.db2.gz QSQGOJKYYKVFQU-UHFFFAOYSA-N -1 1 276.238 3.429 20 0 CGADMM COc1ccnc(-c2ccc(OC(F)(F)F)cc2[O-])c1 ZINC001244463975 803380964 /nfs/dbraw/zinc/38/09/64/803380964.db2.gz MCYJGMCFJCXOEX-UHFFFAOYSA-N -1 1 285.221 3.361 20 0 CGADMM Cc1cc(-c2ccc(OC(F)(F)F)cc2[O-])nc(C)n1 ZINC001244464580 803381841 /nfs/dbraw/zinc/38/18/41/803381841.db2.gz SSOLPKYSSUVPAL-UHFFFAOYSA-N -1 1 284.237 3.365 20 0 CGADMM CCOc1ccc(-c2cc(C)c([O-])c(Cl)c2)nn1 ZINC001244529536 803421526 /nfs/dbraw/zinc/42/15/26/803421526.db2.gz BFKXNAQXIPDBSE-UHFFFAOYSA-N -1 1 264.712 3.210 20 0 CGADMM COc1cnc(C)nc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244535961 803423661 /nfs/dbraw/zinc/42/36/61/803423661.db2.gz FKPSJAWVWXSMAC-UHFFFAOYSA-N -1 1 264.712 3.128 20 0 CGADMM COC(=O)c1ncccc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244537132 803424414 /nfs/dbraw/zinc/42/44/14/803424414.db2.gz HNNYJGMJFGVKFR-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CCc1nc(-c2c(Cl)ccc([O-])c2F)ncc1F ZINC001244537646 803425794 /nfs/dbraw/zinc/42/57/94/803425794.db2.gz CSULKEYCQKJCQC-UHFFFAOYSA-N -1 1 270.666 3.343 20 0 CGADMM Cc1cc(-c2c(N)nccc2F)cc(Cl)c1[O-] ZINC001244538644 803426738 /nfs/dbraw/zinc/42/67/38/803426738.db2.gz OFKOCDJUQAGGFP-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM Cc1cc(-c2ccc(NC(N)=S)cn2)cc(Cl)c1[O-] ZINC001244539368 803427171 /nfs/dbraw/zinc/42/71/71/803427171.db2.gz URDNQHRBIXLJKL-UHFFFAOYSA-N -1 1 293.779 3.072 20 0 CGADMM COc1cnc(F)cc1-c1c(Cl)ccc([O-])c1F ZINC001244540513 803427693 /nfs/dbraw/zinc/42/76/93/803427693.db2.gz XUSSETUYGKFEIL-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM NC(=S)c1ccc(-c2c(F)c([O-])ccc2Cl)cc1 ZINC001244541872 803429646 /nfs/dbraw/zinc/42/96/46/803429646.db2.gz JGSVEQYEFLDRBN-UHFFFAOYSA-N -1 1 281.739 3.486 20 0 CGADMM COC(=O)c1nccc(-c2c(Cl)ccc([O-])c2F)c1C ZINC001244543072 803429712 /nfs/dbraw/zinc/42/97/12/803429712.db2.gz SJZFMKMPOGHRQU-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM Cc1c(-c2c(Cl)ccc([O-])c2F)ccc2ncnn21 ZINC001244541745 803429884 /nfs/dbraw/zinc/42/98/84/803429884.db2.gz SMJRRKYWQLTFRJ-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM O=C([O-])c1cc(-c2cc3nc[nH]c3cn2)c(F)cc1Cl ZINC001244609821 803463368 /nfs/dbraw/zinc/46/33/68/803463368.db2.gz FPILPZDRUZWSJV-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM O=C([O-])c1cnc(F)c(-c2ccc(C3=NCCC3)cc2)c1 ZINC001244759869 803522607 /nfs/dbraw/zinc/52/26/07/803522607.db2.gz HXZPYEKCXQDDLK-UHFFFAOYSA-N -1 1 284.290 3.169 20 0 CGADMM COC(=O)c1nc(-c2cc(Cl)ccc2[O-])ccc1C ZINC001245048495 803621231 /nfs/dbraw/zinc/62/12/31/803621231.db2.gz CEPWOFZRPVQXDS-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CCOC(=O)c1cccc(-c2cc(Cl)ccc2[O-])n1 ZINC001245048482 803621524 /nfs/dbraw/zinc/62/15/24/803621524.db2.gz BKUPDJGACQYNLX-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])cn1 ZINC001136181954 803635231 /nfs/dbraw/zinc/63/52/31/803635231.db2.gz DZEUZHQEOHKPDD-OLZOCXBDSA-N -1 1 276.380 3.122 20 0 CGADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])[C@H](C)c1ccccc1 ZINC001137134871 803687196 /nfs/dbraw/zinc/68/71/96/803687196.db2.gz MYEISCYVIFYVNY-NWDGAFQWSA-N -1 1 287.334 3.453 20 0 CGADMM Cc1c(C(=O)[O-])cccc1-c1ccc2cncn2c1 ZINC001245300303 803695754 /nfs/dbraw/zinc/69/57/54/803695754.db2.gz MGKSEMSSHBRGSS-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM COc1nccc(Nc2ccnc(Cl)c2[O-])c1Cl ZINC001211947578 814960266 /nfs/dbraw/zinc/96/02/66/814960266.db2.gz CTNFKOQGFKLYLZ-UHFFFAOYSA-N -1 1 286.118 3.241 20 0 CGADMM CC(C)CN(CC(C)(C)C)C(=O)C(=O)c1ccc([O-])cc1 ZINC001137510019 803738459 /nfs/dbraw/zinc/73/84/59/803738459.db2.gz ILWZHTVSFGXFGH-UHFFFAOYSA-N -1 1 291.391 3.106 20 0 CGADMM Nc1ccccc1C(=S)Nc1ccc([O-])c(F)c1F ZINC001212010995 814966943 /nfs/dbraw/zinc/96/69/43/814966943.db2.gz LNBHKSLNNZWIHS-UHFFFAOYSA-N -1 1 280.299 3.040 20 0 CGADMM CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001212094183 814975274 /nfs/dbraw/zinc/97/52/74/814975274.db2.gz YSOQFSJWLWQCST-DZGCQCFKSA-N -1 1 293.388 3.146 20 0 CGADMM Oc1cccnc1C[N@@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001138396322 803912193 /nfs/dbraw/zinc/91/21/93/803912193.db2.gz QQDWKIFVOJKKTA-CQSZACIVSA-N -1 1 290.313 3.403 20 0 CGADMM Nc1ccc(Nc2ccnc(Cl)c2[O-])cc1Cl ZINC001212110865 814976990 /nfs/dbraw/zinc/97/69/90/814976990.db2.gz QGCITCGHXYAKJH-UHFFFAOYSA-N -1 1 270.119 3.420 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3[nH]ccc32)c1Cl ZINC001245826290 803980711 /nfs/dbraw/zinc/98/07/11/803980711.db2.gz IHJDZDOTMCDWRE-UHFFFAOYSA-N -1 1 263.659 3.075 20 0 CGADMM COC(=O)c1cc(C)nc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245825616 803981438 /nfs/dbraw/zinc/98/14/38/803981438.db2.gz DPNWWYXYEZAVEK-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(N3CCCC3)nn2)c1Cl ZINC001245826418 803981685 /nfs/dbraw/zinc/98/16/85/803981685.db2.gz JCYCDADFHXLEJK-UHFFFAOYSA-N -1 1 293.729 3.242 20 0 CGADMM CCOc1cc(-c2c(F)ccc([O-])c2Cl)nc(C)n1 ZINC001245830457 803984361 /nfs/dbraw/zinc/98/43/61/803984361.db2.gz NXERYWDAIQXUQB-UHFFFAOYSA-N -1 1 282.702 3.349 20 0 CGADMM O=C1NCc2cc(-c3c(F)ccc([O-])c3Cl)cc(F)c21 ZINC001245833096 803987834 /nfs/dbraw/zinc/98/78/34/803987834.db2.gz YSIYCWBWJBLNGP-UHFFFAOYSA-N -1 1 295.672 3.234 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc3nccnc3c2)c1Cl ZINC001245832965 803988029 /nfs/dbraw/zinc/98/80/29/803988029.db2.gz QORLNMUOMXELDS-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM COCCOc1cncc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245834163 803988954 /nfs/dbraw/zinc/98/89/54/803988954.db2.gz DHQMNJSZUWJEOP-UHFFFAOYSA-N -1 1 297.713 3.272 20 0 CGADMM Cc1ccc(C(=S)n2[n-]c(C3CCC3)cc2=O)cc1 ZINC001245922286 804050824 /nfs/dbraw/zinc/05/08/24/804050824.db2.gz ATPVOLRXHUTARC-UHFFFAOYSA-N -1 1 272.373 3.388 20 0 CGADMM COc1ccc(C(=S)n2[n-]c(C(C)(C)C)cc2=O)cc1 ZINC001245929104 804059264 /nfs/dbraw/zinc/05/92/64/804059264.db2.gz DMNZVIGYVXRUIQ-UHFFFAOYSA-N -1 1 290.388 3.119 20 0 CGADMM CC(=O)Nc1ccc(-n2[n-]c(CC(C)(C)C)cc2=O)cc1 ZINC001245931868 804060891 /nfs/dbraw/zinc/06/08/91/804060891.db2.gz IDKFWRVJFXWELM-UHFFFAOYSA-N -1 1 287.363 3.125 20 0 CGADMM COc1cccc(-n2[n-]c(CC(C)(C)C)cc2=O)c1 ZINC001245933011 804063251 /nfs/dbraw/zinc/06/32/51/804063251.db2.gz SIGNSNIKXIJNCN-UHFFFAOYSA-N -1 1 260.337 3.175 20 0 CGADMM CCc1ccccc1-n1[n-]c(CC2CCC2)cc1=O ZINC001245936225 804068296 /nfs/dbraw/zinc/06/82/96/804068296.db2.gz GGUFJPJHQMZDHO-UHFFFAOYSA-N -1 1 256.349 3.483 20 0 CGADMM Cc1cc(Nc2cc([O-])c(F)c(F)c2)cnc1F ZINC001212188439 814990958 /nfs/dbraw/zinc/99/09/58/814990958.db2.gz JAFOKCSKILILCS-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM C[C@@]1(F)CCCCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001140889685 804542295 /nfs/dbraw/zinc/54/22/95/804542295.db2.gz JOIVMFGSDUFRAR-CQSZACIVSA-N -1 1 273.298 3.385 20 0 CGADMM [O-]c1ccc(CN2CC[C@H](CF)C(F)(F)C2)c(F)c1F ZINC001140889614 804542312 /nfs/dbraw/zinc/54/23/12/804542312.db2.gz IOMYOSXVDZNNDX-SECBINFHSA-N -1 1 295.251 3.097 20 0 CGADMM C[C@@H]1CN(Cc2cc(F)c([O-])c(F)c2)CCC1(F)F ZINC001140987886 804562270 /nfs/dbraw/zinc/56/22/70/804562270.db2.gz FVAKUBKFMHNMNM-MRVPVSSYSA-N -1 1 277.261 3.148 20 0 CGADMM CC(C)(C)[C@@H](NC(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001141875740 804676831 /nfs/dbraw/zinc/67/68/31/804676831.db2.gz GKBRKYVNGLALAL-HNNXBMFYSA-N -1 1 284.359 3.304 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2cccc(F)c2Cl)no1 ZINC001212481037 815035750 /nfs/dbraw/zinc/03/57/50/815035750.db2.gz WXNGJVIIQGXNLI-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM Cc1cc(C)cc(N(C)C(=O)c2cccc([O-])c2F)c1 ZINC001142000268 804687800 /nfs/dbraw/zinc/68/78/00/804687800.db2.gz OVBPDBLSQGWVBE-UHFFFAOYSA-N -1 1 273.307 3.425 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1ccc([O-])cn1 ZINC001142724712 804762267 /nfs/dbraw/zinc/76/22/67/804762267.db2.gz FMENHKMZYOJPER-KRWDZBQOSA-N -1 1 296.370 3.449 20 0 CGADMM [O-]c1ccc(-c2nnc(CCC3CCCCC3)o2)nn1 ZINC001256828560 806988714 /nfs/dbraw/zinc/98/87/14/806988714.db2.gz KNWRVZLVYYMZOL-UHFFFAOYSA-N -1 1 274.324 3.306 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cc2cccnc2[nH]1 ZINC001248711147 804972874 /nfs/dbraw/zinc/97/28/74/804972874.db2.gz BVLMGPMKNUMULZ-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM COc1cccc(CN(C)Cc2c(F)cc([O-])cc2F)c1 ZINC001144553466 805003163 /nfs/dbraw/zinc/00/31/63/805003163.db2.gz FAFZYGOLAZPFBF-UHFFFAOYSA-N -1 1 293.313 3.311 20 0 CGADMM CCCOC1CCN(Cc2c(F)cc([O-])cc2F)CC1 ZINC001144554951 805004157 /nfs/dbraw/zinc/00/41/57/805004157.db2.gz NVJBWFIABOMHEJ-UHFFFAOYSA-N -1 1 285.334 3.061 20 0 CGADMM C[C@H]1CN(Cc2cc(F)c([O-])cc2F)CCC1(F)F ZINC001144647178 805021962 /nfs/dbraw/zinc/02/19/62/805021962.db2.gz BNWLUSYYMSVEMM-QMMMGPOBSA-N -1 1 277.261 3.148 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1CCCC[C@H]1C1CC1 ZINC001146550971 805074199 /nfs/dbraw/zinc/07/41/99/805074199.db2.gz MYNLVQZISGWKKG-GJZGRUSLSA-N -1 1 277.339 3.452 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c1 ZINC001146813362 805092882 /nfs/dbraw/zinc/09/28/82/805092882.db2.gz MIYAOKLJLISPAA-ITDIGPHOSA-N -1 1 289.375 3.068 20 0 CGADMM CCOc1c(F)cccc1Nc1cc(=O)[n-]c(SC)n1 ZINC001212534532 815053862 /nfs/dbraw/zinc/05/38/62/815053862.db2.gz XACQFNJDZBIVTF-UHFFFAOYSA-N -1 1 295.339 3.186 20 0 CGADMM O=C(Nc1cccnn1)c1cccc(-c2ccccc2)c1[O-] ZINC001148860908 805213482 /nfs/dbraw/zinc/21/34/82/805213482.db2.gz AWPIYSSPTJUHHJ-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM Cc1cc(Cl)ncc1NC(=O)c1c(F)ccc([O-])c1F ZINC001150912470 805273940 /nfs/dbraw/zinc/27/39/40/805273940.db2.gz KJVOIQQAYVIUIU-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM Cc1cc(O)ccc1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC001151583379 805298573 /nfs/dbraw/zinc/29/85/73/805298573.db2.gz ZAHAIHAVIUQCOJ-UHFFFAOYSA-N -1 1 291.734 3.241 20 0 CGADMM O=C(NCCCCC1CC1)c1ncc2ccccc2c1[O-] ZINC001151833170 805316325 /nfs/dbraw/zinc/31/63/25/805316325.db2.gz UHSYCIKAAKCNNJ-UHFFFAOYSA-N -1 1 284.359 3.251 20 0 CGADMM Cc1cccc(Nc2cc([O-])c(F)c(F)c2F)n1 ZINC001249957602 805324926 /nfs/dbraw/zinc/32/49/26/805324926.db2.gz CZYMOODJXXZPOF-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM [O-]c1cc(Nc2cc(F)nc(F)c2)c(F)c(F)c1F ZINC001249960753 805326053 /nfs/dbraw/zinc/32/60/53/805326053.db2.gz SFHMJGLZYDWCOT-UHFFFAOYSA-N -1 1 276.164 3.226 20 0 CGADMM [O-]c1cc(Nc2cc(F)ccc2O)c(F)c(F)c1F ZINC001249962110 805328930 /nfs/dbraw/zinc/32/89/30/805328930.db2.gz GPZBAFLVKJRWDV-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM CC(C)n1cnc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249961016 805329685 /nfs/dbraw/zinc/32/96/85/805329685.db2.gz ALIOUEKISKXSCP-UHFFFAOYSA-N -1 1 271.242 3.331 20 0 CGADMM NC(=O)c1ccccc1Nc1cc(Cl)c([O-])cc1F ZINC001250023963 805375866 /nfs/dbraw/zinc/37/58/66/805375866.db2.gz KHTUPWUHZPNDER-UHFFFAOYSA-N -1 1 280.686 3.027 20 0 CGADMM C[C@H](NC(=O)c1c([O-])ccc2ccccc21)c1ccno1 ZINC001153510172 805400312 /nfs/dbraw/zinc/40/03/12/805400312.db2.gz KPTYKCQWDVSWTQ-JTQLQIEISA-N -1 1 282.299 3.024 20 0 CGADMM O=C(N[C@H]1CC12CCC2)c1c([O-])ccc2ccccc21 ZINC001153510515 805400538 /nfs/dbraw/zinc/40/05/38/805400538.db2.gz QYAAEUDGYZIRSL-AWEZNQCLSA-N -1 1 267.328 3.218 20 0 CGADMM Cc1noc(C)c1Cc1c(F)ccc([O-])c1Cl ZINC001250072357 805403227 /nfs/dbraw/zinc/40/32/27/805403227.db2.gz RZTNNZUSEPDSJY-UHFFFAOYSA-N -1 1 255.676 3.380 20 0 CGADMM CCOC(=O)c1ccc([N-]c2nnc(C(C)C)o2)cc1C ZINC001250085020 805406042 /nfs/dbraw/zinc/40/60/42/805406042.db2.gz WRLOJQBRZMHHSY-UHFFFAOYSA-N -1 1 289.335 3.422 20 0 CGADMM CC1(C)CCC[C@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001154475135 805459063 /nfs/dbraw/zinc/45/90/63/805459063.db2.gz AOPMVKHLWILADE-NSHDSACASA-N -1 1 265.328 3.230 20 0 CGADMM [O-]c1cc(F)c(C[C@@H]2COc3ccccc3O2)cc1F ZINC001250178409 805466485 /nfs/dbraw/zinc/46/64/85/805466485.db2.gz YGACKEXSJXMYQC-SNVBAGLBSA-N -1 1 278.254 3.053 20 0 CGADMM COc1nc(OC)c(Nc2ccc(F)c(F)c2[O-])cc1C ZINC001250187753 805474976 /nfs/dbraw/zinc/47/49/76/805474976.db2.gz JEZQYNABAVYILW-UHFFFAOYSA-N -1 1 296.273 3.135 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N[C@@H]3CC34CCC4)cc2c1 ZINC001154757868 805482937 /nfs/dbraw/zinc/48/29/37/805482937.db2.gz WNTDLNXEMSENLQ-MRXNPFEDSA-N -1 1 297.354 3.226 20 0 CGADMM Cc1cncc(Nc2c(F)ccc([O-])c2Cl)n1 ZINC001250227925 805505288 /nfs/dbraw/zinc/50/52/88/805505288.db2.gz CLXSZXPIMGIVKQ-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM [O-]c1ccc(F)c(Nc2ccc(F)cn2)c1Cl ZINC001250228056 805505408 /nfs/dbraw/zinc/50/54/08/805505408.db2.gz JIGYXTGGBQBXEP-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM Cc1ncc(Nc2c(F)ccc([O-])c2Cl)c(C)n1 ZINC001250230521 805506364 /nfs/dbraw/zinc/50/63/64/805506364.db2.gz ZWACCDQXJCWXRK-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM Nc1cc2cn(-c3c(F)ccc([O-])c3Cl)nc2cc1F ZINC001250232142 805506551 /nfs/dbraw/zinc/50/65/51/805506551.db2.gz AQMQPMXHTPUGIE-UHFFFAOYSA-N -1 1 295.676 3.245 20 0 CGADMM Cc1ccc(Nc2c(F)ccc([O-])c2Cl)c(C(N)=O)c1 ZINC001250232619 805508075 /nfs/dbraw/zinc/50/80/75/805508075.db2.gz SPICCZPVHYKCBO-UHFFFAOYSA-N -1 1 294.713 3.336 20 0 CGADMM CC[C@H]1CCC[C@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001165800058 807019757 /nfs/dbraw/zinc/01/97/57/807019757.db2.gz HOTRCGRUEBPTNG-GXFFZTMASA-N -1 1 251.301 3.062 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1CCc2ccccc2C1 ZINC001165807570 807020191 /nfs/dbraw/zinc/02/01/91/807020191.db2.gz NUQALWHQZHAZSL-AWEZNQCLSA-N -1 1 285.318 3.041 20 0 CGADMM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3ncccc3[O-])o2)cc1 ZINC001257209804 807061125 /nfs/dbraw/zinc/06/11/25/807061125.db2.gz PMUHOUGVTHXNRE-QWHCGFSZSA-N -1 1 293.326 3.417 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)C(F)F ZINC001167440455 807193632 /nfs/dbraw/zinc/19/36/32/807193632.db2.gz UVZJJWOODLZDSN-UHFFFAOYSA-N -1 1 271.650 3.402 20 0 CGADMM O=S(=O)([N-]c1cc(Cl)cc(Cl)n1)C1CCCC1 ZINC001259793938 807684270 /nfs/dbraw/zinc/68/42/70/807684270.db2.gz NXXSYGGKSFUEDS-UHFFFAOYSA-N -1 1 295.191 3.073 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1cc(Cl)ccc1C(C)=O ZINC001260742114 807704498 /nfs/dbraw/zinc/70/44/98/807704498.db2.gz YKNNDIHEWZGNKM-MRVPVSSYSA-N -1 1 289.784 3.083 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1C ZINC001260992005 807708517 /nfs/dbraw/zinc/70/85/17/807708517.db2.gz VGELPILCRKURKC-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(F)cc1 ZINC001173798603 808674895 /nfs/dbraw/zinc/67/48/95/808674895.db2.gz HVXDGTPITJANIC-UHFFFAOYSA-N -1 1 271.247 3.381 20 0 CGADMM CC(=O)c1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001173898325 808751102 /nfs/dbraw/zinc/75/11/02/808751102.db2.gz NEAMLUJMDYDFDX-UHFFFAOYSA-N -1 1 269.260 3.276 20 0 CGADMM COc1ccc(OC)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001173919663 808760751 /nfs/dbraw/zinc/76/07/51/808760751.db2.gz IKOVZESCHVFCNB-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM COc1cccc(OC)c1Nc1cc(F)c([O-])c(F)c1 ZINC001173924114 808763833 /nfs/dbraw/zinc/76/38/33/808763833.db2.gz FWZWMRUTXCRGPE-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM CSc1nc(Nc2ccc(C)c(F)c2)cc(=O)[n-]1 ZINC001174019977 808827433 /nfs/dbraw/zinc/82/74/33/808827433.db2.gz SAWQKRBJKKHOAR-UHFFFAOYSA-N -1 1 265.313 3.095 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc2c(c1)NCC2 ZINC001213153544 815245982 /nfs/dbraw/zinc/24/59/82/815245982.db2.gz HIPXHKKVSWYFOM-UHFFFAOYSA-N -1 1 262.259 3.382 20 0 CGADMM Cc1ccc(Nc2ccc(F)c(F)c2[O-])cc1N ZINC001174936331 809206942 /nfs/dbraw/zinc/20/69/42/809206942.db2.gz APDZOLWDXHXPEP-UHFFFAOYSA-N -1 1 250.248 3.305 20 0 CGADMM Nc1ccccc1C(=S)Nc1c(F)cc([O-])cc1F ZINC001175097130 809269563 /nfs/dbraw/zinc/26/95/63/809269563.db2.gz QCFPPPBJZVRQHI-UHFFFAOYSA-N -1 1 280.299 3.040 20 0 CGADMM CC(=O)c1ccccc1Nc1ccnc(Cl)c1[O-] ZINC001175176744 809299481 /nfs/dbraw/zinc/29/94/81/809299481.db2.gz WRNMOFPLXNKEGU-UHFFFAOYSA-N -1 1 262.696 3.387 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1cccc(OCC)c1F ZINC001175234525 809319116 /nfs/dbraw/zinc/31/91/16/809319116.db2.gz OTYUACXRBOAUOH-UHFFFAOYSA-N -1 1 294.282 3.133 20 0 CGADMM COc1ccccc1OC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001290337845 809406573 /nfs/dbraw/zinc/40/65/73/809406573.db2.gz SPAFVDMISTYOOE-UHFFFAOYSA-N -1 1 292.718 3.202 20 0 CGADMM Cc1cc(NC(=O)c2cccc([O-])c2F)cnc1Cl ZINC001294312666 809465853 /nfs/dbraw/zinc/46/58/53/809465853.db2.gz NFYDBBSXUMMBRD-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM C[C@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)CC(C)(C)C1 ZINC001295561084 809489460 /nfs/dbraw/zinc/48/94/60/809489460.db2.gz XGEZXAOLTGRSJF-LLVKDONJSA-N -1 1 295.810 3.483 20 0 CGADMM CCOc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cn1 ZINC001175743978 809528679 /nfs/dbraw/zinc/52/86/79/809528679.db2.gz XDSJTWKZXBHALE-UHFFFAOYSA-N -1 1 296.330 3.115 20 0 CGADMM Cc1csc([C@@H](C)C(=O)Nc2cc([O-])c(F)cc2F)n1 ZINC001298972468 809542336 /nfs/dbraw/zinc/54/23/36/809542336.db2.gz FVRNCYYOBDFZRI-ZETCQYMHSA-N -1 1 298.314 3.178 20 0 CGADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC001302411950 809593482 /nfs/dbraw/zinc/59/34/82/809593482.db2.gz GLMHJANCAWUCQU-AZKPJATDSA-N -1 1 299.370 3.087 20 0 CGADMM O=C(Cc1ccc2c(c1)CCC2)Nc1cccc(F)c1[O-] ZINC001302482258 809595628 /nfs/dbraw/zinc/59/56/28/809595628.db2.gz UOOVNKQDLWMXHV-UHFFFAOYSA-N -1 1 285.318 3.201 20 0 CGADMM Cc1ccc(O[C@H](C)C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001302481731 809595928 /nfs/dbraw/zinc/59/59/28/809595928.db2.gz FDWATOLPSHAZOR-LLVKDONJSA-N -1 1 289.306 3.246 20 0 CGADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)c(F)cn1 ZINC001176663379 809737082 /nfs/dbraw/zinc/73/70/82/809737082.db2.gz HQNJXRDOTQDPRS-UHFFFAOYSA-N -1 1 288.200 3.096 20 0 CGADMM COc1cc(N)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672395 809739490 /nfs/dbraw/zinc/73/94/90/809739490.db2.gz JAFWBBQLMFPVEX-UHFFFAOYSA-N -1 1 284.237 3.144 20 0 CGADMM O=c1[nH]ccc(Nc2c(F)cc(F)c([O-])c2F)c1Cl ZINC001176670126 809739838 /nfs/dbraw/zinc/73/98/38/809739838.db2.gz SQFOPHGDOHCPPF-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM C/C=C(C)/C=C/C(=O)Nc1nc(Br)ccc1[O-] ZINC001178506805 809870784 /nfs/dbraw/zinc/87/07/84/809870784.db2.gz LNOZTMWNIVELDL-ZHLKMWHVSA-N -1 1 297.152 3.011 20 0 CGADMM Cc1nc(C(=O)Nc2cc(F)c([O-])cc2Cl)c(C)o1 ZINC001179660554 809935589 /nfs/dbraw/zinc/93/55/89/809935589.db2.gz WGBCEJCKWSVLKX-UHFFFAOYSA-N -1 1 284.674 3.042 20 0 CGADMM CSc1nc(Nc2ccc3[nH]c(C)cc3c2)cc(=O)[n-]1 ZINC001213787312 815332634 /nfs/dbraw/zinc/33/26/34/815332634.db2.gz UGYJNUAWTXXHCX-UHFFFAOYSA-N -1 1 286.360 3.437 20 0 CGADMM C[C@H]1CCC[C@H](C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC001184504361 810204557 /nfs/dbraw/zinc/20/45/57/810204557.db2.gz UVNSSWNLXZZKGI-STQMWFEESA-N -1 1 299.374 3.343 20 0 CGADMM O=C(Nc1cccc2c1OCCC2)c1ccc([O-])c(F)c1 ZINC001186225394 810321042 /nfs/dbraw/zinc/32/10/42/810321042.db2.gz BTIKFNYTHGOUGA-UHFFFAOYSA-N -1 1 287.290 3.109 20 0 CGADMM C=Cc1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC001186328463 810329113 /nfs/dbraw/zinc/32/91/13/810329113.db2.gz CPBBLSQAOWNFEM-UHFFFAOYSA-N -1 1 257.264 3.427 20 0 CGADMM Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cn1C ZINC001188076515 810451119 /nfs/dbraw/zinc/45/11/19/810451119.db2.gz UIDHWIBRWGYEPY-UHFFFAOYSA-N -1 1 298.264 3.310 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H](OC)C2CCCC2)n1 ZINC001188161683 810460763 /nfs/dbraw/zinc/46/07/63/810460763.db2.gz CDPSVYLQXPAVRJ-CYBMUJFWSA-N -1 1 296.436 3.432 20 0 CGADMM O=C(Nc1ccc2c(c1)N=NC2)c1ncc(C(F)(F)F)[n-]1 ZINC001188288523 810474232 /nfs/dbraw/zinc/47/42/32/810474232.db2.gz BTUKCJQOKDDJHH-UHFFFAOYSA-N -1 1 295.224 3.278 20 0 CGADMM O=C(Nc1ccc2c(c1)N=NC2)c1nc(C(F)(F)F)c[n-]1 ZINC001188288523 810474238 /nfs/dbraw/zinc/47/42/38/810474238.db2.gz BTUKCJQOKDDJHH-UHFFFAOYSA-N -1 1 295.224 3.278 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1c(F)ccc([O-])c1F ZINC001192520123 810804352 /nfs/dbraw/zinc/80/43/52/810804352.db2.gz GPYGMCWDTVDZMV-DTORHVGOSA-N -1 1 269.291 3.074 20 0 CGADMM O=C(Nc1nc(C2CC2)cs1)c1cc([O-])cc(F)c1F ZINC001192652993 810813425 /nfs/dbraw/zinc/81/34/25/810813425.db2.gz SVQAKJNTFTWOBT-UHFFFAOYSA-N -1 1 296.298 3.257 20 0 CGADMM CCCCCOC(=O)Nc1cc([O-])c(F)cc1F ZINC001193768104 810950694 /nfs/dbraw/zinc/95/06/94/810950694.db2.gz DSPWIVLWXYGBLT-UHFFFAOYSA-N -1 1 259.252 3.409 20 0 CGADMM Cc1ccc(Nc2ccc(F)c(F)c2[O-])c(CO)c1 ZINC001214464564 815413382 /nfs/dbraw/zinc/41/33/82/815413382.db2.gz HYHBKHMFWQLKJH-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM CCOc1nccnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482788 815416784 /nfs/dbraw/zinc/41/67/84/815416784.db2.gz NTJIUUAFOYZDSX-UHFFFAOYSA-N -1 1 283.690 3.117 20 0 CGADMM Cc1ccc(C(N)=O)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214489994 815417852 /nfs/dbraw/zinc/41/78/52/815417852.db2.gz MCYHUXDWZZGXGE-UHFFFAOYSA-N -1 1 294.713 3.336 20 0 CGADMM CC[C@@H](C)COC(=O)Nc1cc([O-])c(F)cc1F ZINC001194801058 811137726 /nfs/dbraw/zinc/13/77/26/811137726.db2.gz RPWFNDXBSPIKGP-SSDOTTSWSA-N -1 1 259.252 3.265 20 0 CGADMM COc1ccccc1OC(=O)Nc1c(F)cc([O-])cc1F ZINC001195272951 811236316 /nfs/dbraw/zinc/23/63/16/811236316.db2.gz ZQSCYVVOLLESOR-UHFFFAOYSA-N -1 1 295.241 3.290 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)cc(Cl)c1 ZINC001195487343 811260793 /nfs/dbraw/zinc/26/07/93/811260793.db2.gz TXDHNYZQMKNSFB-UHFFFAOYSA-N -1 1 293.175 3.436 20 0 CGADMM C=CS(=O)(=O)[N-]c1cc(F)ccc1OC1CCCC1 ZINC001198619683 811526341 /nfs/dbraw/zinc/52/63/41/811526341.db2.gz AYMVSDOAUHGEHE-UHFFFAOYSA-N -1 1 285.340 3.032 20 0 CGADMM O=C(Nc1cc(F)ccc1F)Nc1c([O-])cccc1F ZINC001202654354 812148295 /nfs/dbraw/zinc/14/82/95/812148295.db2.gz CYWSHRYFDJIRQZ-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM Cc1ccc(Nc2cc3ccc([O-])cc3oc2=O)c(C)n1 ZINC001203368649 812326157 /nfs/dbraw/zinc/32/61/57/812326157.db2.gz CKRMXCXMJLWGKH-UHFFFAOYSA-N -1 1 282.299 3.254 20 0 CGADMM Cc1c(O)cccc1Nc1cc(F)c([O-])cc1F ZINC001215574519 815538844 /nfs/dbraw/zinc/53/88/44/815538844.db2.gz XKLJXSKYMXDHPD-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM COc1cc(SC)c([N-]c2noc(C(C)(C)C)n2)cn1 ZINC001215810060 815603264 /nfs/dbraw/zinc/60/32/64/815603264.db2.gz YZENGZDUVQEZBF-UHFFFAOYSA-N -1 1 294.380 3.236 20 0 CGADMM COC(=O)c1cc(-c2cc(F)c([O-])cc2F)ccc1C ZINC001206775954 813434655 /nfs/dbraw/zinc/43/46/55/813434655.db2.gz RZXYRUQORYWIDV-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM CN(C)c1ccccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001209989416 814232646 /nfs/dbraw/zinc/23/26/46/814232646.db2.gz VFXSMMLDMCJFNG-UHFFFAOYSA-N -1 1 260.341 3.177 20 0 CGADMM Cc1cc(Nc2cccc(CC(=O)[O-])c2)c2ccccc2n1 ZINC001210069642 814271885 /nfs/dbraw/zinc/27/18/85/814271885.db2.gz QNWMKHPOIGKASB-UHFFFAOYSA-N -1 1 292.338 3.336 20 0 CGADMM CSc1nc(Nc2cccc3cc[nH]c32)cc(=O)[n-]1 ZINC001210210341 814342208 /nfs/dbraw/zinc/34/22/08/814342208.db2.gz SEKILFPMAGICPT-UHFFFAOYSA-N -1 1 272.333 3.129 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cnc(C(F)(F)F)nc1 ZINC001210670172 814579000 /nfs/dbraw/zinc/57/90/00/814579000.db2.gz SBQOGWMHJMNYBK-UHFFFAOYSA-N -1 1 291.179 3.223 20 0 CGADMM [O-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1Cl ZINC001242799090 823135957 /nfs/dbraw/zinc/13/59/57/823135957.db2.gz SUYCPIZIMJQVDH-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM Nc1c(F)cc(Nc2c([O-])cc(F)cc2F)cc1F ZINC001210908644 814668234 /nfs/dbraw/zinc/66/82/34/814668234.db2.gz DHNCBEBEFROIFO-UHFFFAOYSA-N -1 1 272.201 3.274 20 0 CGADMM COc1ncc(Nc2c([O-])cc(F)cc2F)cc1Cl ZINC001211047912 814721852 /nfs/dbraw/zinc/72/18/52/814721852.db2.gz XXVFKDIMZQZVEV-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CSc1ncc(-c2cccc([O-])c2Cl)cn1 ZINC001242800429 823136354 /nfs/dbraw/zinc/13/63/54/823136354.db2.gz OGRNRDRMWMRHAH-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM COCOc1cnc(F)cc1-c1cccc([O-])c1Cl ZINC001242799636 823136482 /nfs/dbraw/zinc/13/64/82/823136482.db2.gz VOHLNSWMGVMXKP-UHFFFAOYSA-N -1 1 283.686 3.229 20 0 CGADMM CS(=O)(=O)c1ccccc1-c1cccc([O-])c1Cl ZINC001242799840 823136497 /nfs/dbraw/zinc/13/64/97/823136497.db2.gz FNNABYVGGZWUAK-UHFFFAOYSA-N -1 1 282.748 3.116 20 0 CGADMM Cc1cc(N(C)C)ncc1-c1cccc([O-])c1Cl ZINC001242800299 823136609 /nfs/dbraw/zinc/13/66/09/823136609.db2.gz MLCMLHVXZQEHCL-UHFFFAOYSA-N -1 1 262.740 3.482 20 0 CGADMM COC(=O)c1cc(C)cc(Nc2ccnc(Cl)c2[O-])c1 ZINC001211173530 814841538 /nfs/dbraw/zinc/84/15/38/814841538.db2.gz HFXPAAIVRTWCOM-UHFFFAOYSA-N -1 1 292.722 3.279 20 0 CGADMM COc1ccc(-c2cccc([O-])c2Cl)nc1OC ZINC001242801862 823137391 /nfs/dbraw/zinc/13/73/91/823137391.db2.gz ZDSSHSJDWSZZKE-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM CN(C)C(=O)Cc1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242800697 823137460 /nfs/dbraw/zinc/13/74/60/823137460.db2.gz RIUJRERYGGAYPE-UHFFFAOYSA-N -1 1 289.762 3.343 20 0 CGADMM COc1cnccc1Nc1ccc(Cl)cc1[S-] ZINC001211263011 814865507 /nfs/dbraw/zinc/86/55/07/814865507.db2.gz FDUAEPRQHYZWMS-UHFFFAOYSA-N -1 1 266.753 3.198 20 0 CGADMM COc1cc(-c2cc(F)c([O-])cc2F)cc(OC)c1OC ZINC001211350195 814883549 /nfs/dbraw/zinc/88/35/49/814883549.db2.gz OXICPGNXYSAAPN-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM C[S@](=N)(=O)c1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211353098 814884850 /nfs/dbraw/zinc/88/48/50/814884850.db2.gz TYXCZGGZOPLOMZ-IBGZPJMESA-N -1 1 283.299 3.373 20 0 CGADMM CC(C)c1cc(-n2[n-]c(=O)c3ccc(N)cc32)ccc1N ZINC001216046683 815672718 /nfs/dbraw/zinc/67/27/18/815672718.db2.gz MQQZPBPXQLCKTI-UHFFFAOYSA-N -1 1 282.347 3.019 20 0 CGADMM Cc1cc(Cl)c(N)c([N-]c2nnc(C(C)C)o2)c1 ZINC001216089116 815689178 /nfs/dbraw/zinc/68/91/78/815689178.db2.gz NTFMRXYEFQRTGD-UHFFFAOYSA-N -1 1 266.732 3.481 20 0 CGADMM Cc1cc2[nH]cnc2cc1-c1ccccc1C(=O)[O-] ZINC001242877816 823161930 /nfs/dbraw/zinc/16/19/30/823161930.db2.gz DGTOQOLTKQSXNZ-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM COCOc1cc(-c2cc(F)c([O-])cc2F)ccc1F ZINC001222082416 816343688 /nfs/dbraw/zinc/34/36/88/816343688.db2.gz CZKFVWDTRFHAJL-UHFFFAOYSA-N -1 1 284.233 3.459 20 0 CGADMM O=C([O-])C1(c2ccc(-c3cccc4cncn43)cc2)CC1 ZINC001222694342 816501663 /nfs/dbraw/zinc/50/16/63/816501663.db2.gz KXZONUNHGSOBTO-UHFFFAOYSA-N -1 1 278.311 3.118 20 0 CGADMM C[C@H](OCCCC[P@](=O)([O-])O)c1cccc(F)c1F ZINC001225018670 816933214 /nfs/dbraw/zinc/93/32/14/816933214.db2.gz DWZNFDDXMBENHO-VIFPVBQESA-N -1 1 294.234 3.000 20 0 CGADMM C[C@@H](OCCCC[P@](=O)([O-])O)c1ccccc1Cl ZINC001225022376 816934876 /nfs/dbraw/zinc/93/48/76/816934876.db2.gz OBERHXNIMLEVEI-SNVBAGLBSA-N -1 1 292.699 3.376 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C)Cc1ccccc1 ZINC001225680323 817139644 /nfs/dbraw/zinc/13/96/44/817139644.db2.gz XGPDADKPOATDEV-LLVKDONJSA-N -1 1 286.327 3.310 20 0 CGADMM O=c1cc(O[C@H](c2ccccc2)C2CC2)[nH]c(=S)[n-]1 ZINC001225761469 817169442 /nfs/dbraw/zinc/16/94/42/817169442.db2.gz OOSFBEHMKVFDKK-CYBMUJFWSA-N -1 1 274.345 3.001 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H](C)c1ccccc1C ZINC001226242312 817309099 /nfs/dbraw/zinc/30/90/99/817309099.db2.gz LBRMAJFWLUNYRV-SNVBAGLBSA-N -1 1 276.361 3.222 20 0 CGADMM CC/C=C(\C)[C@@H](CC)Oc1[n-]c(=S)ncc1OC ZINC001226246299 817309726 /nfs/dbraw/zinc/30/97/26/817309726.db2.gz PEQBKIFQGZEIIK-TTZKWOQHSA-N -1 1 268.382 3.288 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(OC3CCCC3)c12 ZINC001226486124 817373551 /nfs/dbraw/zinc/37/35/51/817373551.db2.gz POJKLCFVERDUGB-UHFFFAOYSA-N -1 1 260.289 3.128 20 0 CGADMM Fc1cnc(=S)[n-]c1O[C@H]1CCc2c1nccc2Cl ZINC001227383834 817636469 /nfs/dbraw/zinc/63/64/69/817636469.db2.gz RYEDXSFZNIPCIK-VIFPVBQESA-N -1 1 297.742 3.019 20 0 CGADMM C[C@@H](Oc1[n-]c(=O)nc2c1COC2)c1csc(Cl)c1 ZINC001227691303 817695570 /nfs/dbraw/zinc/69/55/70/817695570.db2.gz SRMBNMYPVMMFHO-ZCFIWIBFSA-N -1 1 298.751 3.067 20 0 CGADMM CSc1nc(O[C@H](C)c2cccnc2Cl)cc(=O)[n-]1 ZINC001228090084 817808636 /nfs/dbraw/zinc/80/86/36/817808636.db2.gz IBDXZYOAOIYWLK-SSDOTTSWSA-N -1 1 297.767 3.093 20 0 CGADMM O=C(c1ccccc1)c1ccc([O-])cc1OC1CC1 ZINC001228186869 817834429 /nfs/dbraw/zinc/83/44/29/817834429.db2.gz VLIKDGFEMYTPMI-UHFFFAOYSA-N -1 1 254.285 3.164 20 0 CGADMM CCCCCC[C@H](CCC)Oc1nc(C(=O)OC)n[n-]1 ZINC001228312611 817873127 /nfs/dbraw/zinc/87/31/27/817873127.db2.gz UQMDTEJDKTWQOM-NSHDSACASA-N -1 1 283.372 3.109 20 0 CGADMM CCCCCC[C@H](CCC)Oc1n[n-]c(C(=O)OC)n1 ZINC001228312611 817873134 /nfs/dbraw/zinc/87/31/34/817873134.db2.gz UQMDTEJDKTWQOM-NSHDSACASA-N -1 1 283.372 3.109 20 0 CGADMM [O-]c1cccc(CN2Cc3ncsc3C2)c1Cl ZINC001232789977 818440614 /nfs/dbraw/zinc/44/06/14/818440614.db2.gz ZQUZNVQZYGAELW-UHFFFAOYSA-N -1 1 266.753 3.018 20 0 CGADMM C[C@]1(CF)CC(F)(F)CN1Cc1ccc(F)c([O-])c1F ZINC001232931482 818475918 /nfs/dbraw/zinc/47/59/18/818475918.db2.gz OZBOMNLOAOSHPB-GFCCVEGCSA-N -1 1 295.251 3.240 20 0 CGADMM CN(Cc1ccc(F)cc1F)Cc1cc(Cl)ncc1[O-] ZINC001233038883 818507677 /nfs/dbraw/zinc/50/76/77/818507677.db2.gz INUIXMSLBZIXED-UHFFFAOYSA-N -1 1 298.720 3.351 20 0 CGADMM [S-]c1ccc(CN2CCC[C@H]2c2cnccn2)cc1 ZINC001233261460 818558837 /nfs/dbraw/zinc/55/88/37/818558837.db2.gz QBZOQXMZXQXASU-HNNXBMFYSA-N -1 1 271.389 3.102 20 0 CGADMM O=C([O-])c1cc(Cl)cc(-c2cc3[nH]nnc3cc2F)c1 ZINC001243324587 823349068 /nfs/dbraw/zinc/34/90/68/823349068.db2.gz GUFGFUCNWJJXSO-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM CCOc1ccc(-c2ccc([O-])c(F)c2F)nc1 ZINC001243337905 823351919 /nfs/dbraw/zinc/35/19/19/823351919.db2.gz GEACOGAYSGHXKQ-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](CC)COC ZINC001233649970 818670077 /nfs/dbraw/zinc/67/00/77/818670077.db2.gz GLFRUFDTEQRSDB-LBPRGKRZSA-N -1 1 266.337 3.179 20 0 CGADMM COc1cc(OC)cc(-c2ccc([O-])c(F)c2F)c1 ZINC001243342779 823357465 /nfs/dbraw/zinc/35/74/65/823357465.db2.gz UDUAMQZDCHRRKK-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM O=c1ccc2cc(-c3ccc([O-])c(F)c3F)ccc2o1 ZINC001243342610 823357966 /nfs/dbraw/zinc/35/79/66/823357966.db2.gz KWUCKYONEGNYCT-UHFFFAOYSA-N -1 1 274.222 3.444 20 0 CGADMM COc1cc(-c2ccc([O-])c(F)c2F)ccc1NC(C)=O ZINC001243343142 823359305 /nfs/dbraw/zinc/35/93/05/823359305.db2.gz XLCDXSWWBNOQPD-UHFFFAOYSA-N -1 1 293.269 3.304 20 0 CGADMM C[C@@H](Oc1nc2sccc2[n-]1)c1nccs1 ZINC001234848463 818932470 /nfs/dbraw/zinc/93/24/70/818932470.db2.gz PTHZXYWLXBVPEG-ZCFIWIBFSA-N -1 1 251.336 3.221 20 0 CGADMM COC(=O)c1cc(F)c(C)nc1-c1c(F)ccc(C)c1[O-] ZINC001236389529 819446692 /nfs/dbraw/zinc/44/66/92/819446692.db2.gz AAGBRIGDIMHBDP-UHFFFAOYSA-N -1 1 293.269 3.136 20 0 CGADMM Cc1ccc(F)c(-c2nc(C)nc3c2CCCC3)c1[O-] ZINC001236393682 819448534 /nfs/dbraw/zinc/44/85/34/819448534.db2.gz XWIFDGJXBQTSNJ-UHFFFAOYSA-N -1 1 272.323 3.484 20 0 CGADMM COc1ncc(-c2cc(F)cc(F)c2[O-])cc1C ZINC001243504529 823422293 /nfs/dbraw/zinc/42/22/93/823422293.db2.gz QMNGBEBWIYHXMK-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM Nc1cnc2cc(-c3cc(F)cc(F)c3[O-])ccc2c1 ZINC001243504952 823423152 /nfs/dbraw/zinc/42/31/52/823423152.db2.gz BOHMYIWWBJNLLF-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM CCCNc1cc(C)nc(-c2cccc([O-])c2F)n1 ZINC001243543526 823436779 /nfs/dbraw/zinc/43/67/79/823436779.db2.gz XORMWEUWWAEQDG-UHFFFAOYSA-N -1 1 261.300 3.119 20 0 CGADMM [O-]c1c(F)cc(CN2CC[C@@]3(C2)CCCCO3)cc1Cl ZINC001237984884 819903928 /nfs/dbraw/zinc/90/39/28/819903928.db2.gz RCYUARNGNUVJPT-OAHLLOKOSA-N -1 1 299.773 3.330 20 0 CGADMM CN(Cc1ccncc1)Cc1cc(F)c([O-])c(Cl)c1 ZINC001237983030 819903950 /nfs/dbraw/zinc/90/39/50/819903950.db2.gz CKZGADPCCLDLFS-UHFFFAOYSA-N -1 1 280.730 3.212 20 0 CGADMM CO[C@H]1CCN(Cc2cc(F)c([O-])c(Cl)c2)[C@H](C)C1 ZINC001237992196 819905670 /nfs/dbraw/zinc/90/56/70/819905670.db2.gz HYQLYLROSYQBAB-KOLCDFICSA-N -1 1 287.762 3.184 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@H]3OCCC[C@H]3C2)cc1Cl ZINC001238143185 819940160 /nfs/dbraw/zinc/94/01/60/819940160.db2.gz KUYLCUMZFAYNEF-ZUZCIYMTSA-N -1 1 299.773 3.186 20 0 CGADMM O=C([O-])c1cc(F)ccc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001238233031 819967007 /nfs/dbraw/zinc/96/70/07/819967007.db2.gz NRMZQVHWSPDOHN-PHIMTYICSA-N -1 1 299.292 3.001 20 0 CGADMM O=C1COc2ccc(-c3ccc(Cl)c([O-])c3)cc2N1 ZINC001243578062 823451962 /nfs/dbraw/zinc/45/19/62/823451962.db2.gz KVBIOGYKNYZWRV-UHFFFAOYSA-N -1 1 275.691 3.044 20 0 CGADMM Cc1nc(C)c(F)c(-c2ccc(Cl)c([O-])c2)n1 ZINC001243579167 823452929 /nfs/dbraw/zinc/45/29/29/823452929.db2.gz QEEZHSHKRKQVNK-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM COc1ccnc(F)c1-c1ccc(Cl)c([O-])c1 ZINC001243582988 823455033 /nfs/dbraw/zinc/45/50/33/823455033.db2.gz WGCSLZBMSZWMGL-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM Cc1nccc(-c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001243609161 823466328 /nfs/dbraw/zinc/46/63/28/823466328.db2.gz PEKSKKVLYMSELX-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM COC(=O)c1nc2cc(-c3cccnc3C3CC3)ccc2[n-]1 ZINC001243689214 823486667 /nfs/dbraw/zinc/48/66/67/823486667.db2.gz JMVDUEAPBPINNR-UHFFFAOYSA-N -1 1 293.326 3.289 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccnc3C3CC3)cc2[n-]1 ZINC001243689214 823486669 /nfs/dbraw/zinc/48/66/69/823486669.db2.gz JMVDUEAPBPINNR-UHFFFAOYSA-N -1 1 293.326 3.289 20 0 CGADMM [O-]c1ccc(F)cc1-c1cnc(-c2ccco2)cn1 ZINC001240693562 821250336 /nfs/dbraw/zinc/25/03/36/821250336.db2.gz VIKQTCSJPWXKDA-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM CCOC(=O)c1ccc(-c2cc(F)ccc2[O-])nc1C ZINC001240694863 821251289 /nfs/dbraw/zinc/25/12/89/821251289.db2.gz YQNGJTFYYINVJW-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM [O-]c1ccc(F)cc1-c1cc(-c2ccncc2)ncn1 ZINC001240695608 821252752 /nfs/dbraw/zinc/25/27/52/821252752.db2.gz OFAHKLJHRZOYRF-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM COc1cc(-c2ccc3nc(C)[nH]c3c2)ccc1C(=O)[O-] ZINC001240742434 821294240 /nfs/dbraw/zinc/29/42/40/821294240.db2.gz DMMVCGSSQANDRL-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM COc1ccc2nc(-c3ccc([O-])c(F)c3)ncc2c1 ZINC001240781575 821321428 /nfs/dbraw/zinc/32/14/28/821321428.db2.gz AWWLGUUXKAWWKL-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccc(C)cc3O)ccc2[n-]1 ZINC001241052384 821524465 /nfs/dbraw/zinc/52/44/65/821524465.db2.gz YTDQSMXOIVQFBW-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccc(C)cc3O)cc2[n-]1 ZINC001241052384 821524470 /nfs/dbraw/zinc/52/44/70/821524470.db2.gz YTDQSMXOIVQFBW-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM [O-]c1cc(F)c(-c2ncnc3cc(F)ccc32)c(F)c1 ZINC001241117548 821573405 /nfs/dbraw/zinc/57/34/05/821573405.db2.gz RRIKGUJALNPLFJ-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM COC(=O)[C@@H](C)c1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241118720 821574041 /nfs/dbraw/zinc/57/40/41/821574041.db2.gz FFBZAIJOGSMSOR-QMMMGPOBSA-N -1 1 293.269 3.009 20 0 CGADMM COC(=O)[C@H](C)c1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241118719 821574638 /nfs/dbraw/zinc/57/46/38/821574638.db2.gz FFBZAIJOGSMSOR-MRVPVSSYSA-N -1 1 293.269 3.009 20 0 CGADMM COCOc1ccc(OC)cc1-c1c(F)cc([O-])cc1F ZINC001241121938 821578450 /nfs/dbraw/zinc/57/84/50/821578450.db2.gz UESKXZCJJRZFAH-UHFFFAOYSA-N -1 1 296.269 3.329 20 0 CGADMM COC(=O)c1cc(OC)cc(-c2c(F)cc([O-])cc2F)c1 ZINC001241121943 821578837 /nfs/dbraw/zinc/57/88/37/821578837.db2.gz UJVGLCUBCQAZPD-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM CN(C)Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1F ZINC001241247634 821668930 /nfs/dbraw/zinc/66/89/30/821668930.db2.gz UKJSRRFMOUADGI-UHFFFAOYSA-N -1 1 291.297 3.392 20 0 CGADMM Cc1cc(-c2c(F)ccc([O-])c2F)nc(-c2cccnc2)n1 ZINC001241289616 821706018 /nfs/dbraw/zinc/70/60/18/821706018.db2.gz BDXCOGQNTOPUHO-UHFFFAOYSA-N -1 1 299.280 3.498 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc3ccccc3n2)c1F ZINC001241290476 821707145 /nfs/dbraw/zinc/70/71/45/821707145.db2.gz NNJBJDHKWLCELR-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1cc(C)cc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291664 821708995 /nfs/dbraw/zinc/70/89/95/821708995.db2.gz PXEKRZHXXMHOQW-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM O=C([O-])c1ccc(-c2ccc3cncn3c2)cc1Cl ZINC001241348616 821751785 /nfs/dbraw/zinc/75/17/85/821751785.db2.gz AROAOCLOBSDCBK-UHFFFAOYSA-N -1 1 272.691 3.353 20 0 CGADMM O=C([O-])c1cc(F)cc(-c2cc(N3CCCC3)ccn2)c1 ZINC001241824292 822164955 /nfs/dbraw/zinc/16/49/55/822164955.db2.gz TZXJROZNUKWOKD-UHFFFAOYSA-N -1 1 286.306 3.186 20 0 CGADMM COc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)nc1C ZINC001242148087 822893970 /nfs/dbraw/zinc/89/39/70/822893970.db2.gz MLJZHPWLUODIMX-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM CCc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC001242148384 822894495 /nfs/dbraw/zinc/89/44/95/822894495.db2.gz WLRWHUCFXQPLIP-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM Cc1cnc(C)nc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242151212 822895157 /nfs/dbraw/zinc/89/51/57/822895157.db2.gz HRQLLDRSJFJPRZ-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM Cc1cc(-c2ccc([O-])c(C(F)(F)F)c2)c2ncnn2c1 ZINC001242157938 822899124 /nfs/dbraw/zinc/89/91/24/822899124.db2.gz OXXHZUMPTFEECP-UHFFFAOYSA-N -1 1 293.248 3.429 20 0 CGADMM COc1nc(C)nc(-c2ccc([O-])c(C(F)(F)F)c2)c1C ZINC001242157613 822899263 /nfs/dbraw/zinc/89/92/63/822899263.db2.gz JPLLFGCOZVXDPK-UHFFFAOYSA-N -1 1 298.264 3.493 20 0 CGADMM Cc1cc(C)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C)[nH+]1 ZINC001242164318 822901077 /nfs/dbraw/zinc/90/10/77/822901077.db2.gz IQCIYNKLDINAAD-UHFFFAOYSA-N -1 1 285.299 3.070 20 0 CGADMM COC(=O)c1cccc(-c2ccc(F)cc2[O-])c1F ZINC001242220606 822916600 /nfs/dbraw/zinc/91/66/00/822916600.db2.gz HDIJIDQURBREDL-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM Cc1cccc(-c2nccc(-c3cccnc3)n2)c1[O-] ZINC001242344980 822957924 /nfs/dbraw/zinc/95/79/24/822957924.db2.gz YXIYDRLSAWFDFH-UHFFFAOYSA-N -1 1 263.300 3.220 20 0 CGADMM [O-]c1c(F)cccc1-c1cn2ncnc2cc1C(F)(F)F ZINC001242354098 822963151 /nfs/dbraw/zinc/96/31/51/822963151.db2.gz QWEWXRYVJIYUGJ-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM Cc1cnc2ncc(-c3cccc(Cl)c3[O-])cc2n1 ZINC001242364514 822968134 /nfs/dbraw/zinc/96/81/34/822968134.db2.gz LQHALCUWNOKOTO-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM CNC(=O)Cc1ccccc1-c1cccc(Cl)c1[O-] ZINC001242364129 822968223 /nfs/dbraw/zinc/96/82/23/822968223.db2.gz CWPQRZTYHDGLST-UHFFFAOYSA-N -1 1 275.735 3.001 20 0 CGADMM [O-]c1c(Cl)cccc1-c1ccc(-n2ccnc2)nc1 ZINC001242365918 822968666 /nfs/dbraw/zinc/96/86/66/822968666.db2.gz MPAHTXWIWDVRQF-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM NC(=O)CCc1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242366181 822969033 /nfs/dbraw/zinc/96/90/33/822969033.db2.gz RDRDTJYDPJMFSS-UHFFFAOYSA-N -1 1 275.735 3.131 20 0 CGADMM CN1C(=O)NCc2cc(-c3cccc(Cl)c3[O-])ccc21 ZINC001242367738 822969347 /nfs/dbraw/zinc/96/93/47/822969347.db2.gz RMBNOXABZALTOO-UHFFFAOYSA-N -1 1 288.734 3.372 20 0 CGADMM COc1nc(OC)c(-c2cccc(Cl)c2[O-])cc1C ZINC001242366817 822969567 /nfs/dbraw/zinc/96/95/67/822969567.db2.gz DGDBCAVHAQUPEG-UHFFFAOYSA-N -1 1 279.723 3.433 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCCSC1 ZINC001339177660 936355925 /nfs/dbraw/zinc/35/59/25/936355925.db2.gz OXLNUCRDIVGGQE-UHFFFAOYSA-N -1 1 273.357 3.082 20 0 CGADMM CC[C@H](C)n1nccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001347038086 936868145 /nfs/dbraw/zinc/86/81/45/936868145.db2.gz YQWQZSUVUZUXFA-QMMMGPOBSA-N -1 1 295.289 3.090 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@H](F)C1 ZINC001349000313 936941565 /nfs/dbraw/zinc/94/15/65/936941565.db2.gz ZHZOVBVWJQQOCP-MNOVXSKESA-N -1 1 285.746 3.190 20 0 CGADMM COc1ccc([C@@H](C)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000234955871 928211400 /nfs/dbraw/zinc/21/14/00/928211400.db2.gz CROABAPHRHDROI-LLVKDONJSA-N -1 1 289.331 3.146 20 0 CGADMM CC(C)(C)c1ccc(C2(C(=O)Nc3c[n-][nH]c3=O)CC2)cc1 ZINC001363125227 937230924 /nfs/dbraw/zinc/23/09/24/937230924.db2.gz CDTPXIACZSSWFF-UHFFFAOYSA-N -1 1 299.374 3.083 20 0 CGADMM COc1cc(Cl)ccc1Oc1cc(Cl)nc(=O)[n-]1 ZINC001364204595 937232789 /nfs/dbraw/zinc/23/27/89/937232789.db2.gz SNPKFBATILNELJ-UHFFFAOYSA-N -1 1 287.102 3.290 20 0 CGADMM Cc1cc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)sn1 ZINC001459210532 928720397 /nfs/dbraw/zinc/72/03/97/928720397.db2.gz HRSTUPCGFHVXKA-UHFFFAOYSA-N -1 1 293.417 3.425 20 0 CGADMM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc([O-])cc1F ZINC001444360644 937352107 /nfs/dbraw/zinc/35/21/07/937352107.db2.gz IKZJMANBEARTBC-OAHLLOKOSA-N -1 1 288.322 3.150 20 0 CGADMM Cc1nc(CC(C)C)c(NC(=O)c2ccc([O-])cn2)s1 ZINC001446082070 937361414 /nfs/dbraw/zinc/36/14/14/937361414.db2.gz YOPWCWRPAINWLM-UHFFFAOYSA-N -1 1 291.376 3.003 20 0 CGADMM CCCc1cc(C(=O)Nc2ccc(Cl)cc2[O-])no1 ZINC001447274499 937367670 /nfs/dbraw/zinc/36/76/70/937367670.db2.gz LRKKWEQETXPVEK-UHFFFAOYSA-N -1 1 280.711 3.238 20 0 CGADMM Cc1cc(Cl)c(NC(=O)c2cncc([O-])c2)cc1C ZINC001450024178 937382259 /nfs/dbraw/zinc/38/22/59/937382259.db2.gz VCIDGRLPULJITL-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cccc(F)c1[O-] ZINC001454758142 937411820 /nfs/dbraw/zinc/41/18/20/937411820.db2.gz PVHJYDJHPJCGOL-SECBINFHSA-N -1 1 293.269 3.076 20 0 CGADMM O=C(NCC1CCC=CCC1)c1cc(F)ccc1[O-] ZINC001456100581 937425475 /nfs/dbraw/zinc/42/54/75/937425475.db2.gz GLHHQSLBPRWVLX-UHFFFAOYSA-N -1 1 263.312 3.008 20 0 CGADMM Cc1cc(F)c(CNC(=O)c2ccc([O-])cc2F)c(F)c1 ZINC001456180498 937426644 /nfs/dbraw/zinc/42/66/44/937426644.db2.gz WHSZQNTZLDLBGN-UHFFFAOYSA-N -1 1 295.260 3.048 20 0 CGADMM O=C(Nc1c[n-][nH]c1=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC001457823966 937446622 /nfs/dbraw/zinc/44/66/22/937446622.db2.gz RMCFUNYKDDQANX-UHFFFAOYSA-N -1 1 292.298 3.002 20 0 CGADMM O=C(Cc1ccc2cccnc2c1)Nc1c([O-])cccc1F ZINC001165758363 931995734 /nfs/dbraw/zinc/99/57/34/931995734.db2.gz FJUCUUOMQJKUMB-UHFFFAOYSA-N -1 1 296.301 3.261 20 0 CGADMM CC(C)C[C@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229136288 932102719 /nfs/dbraw/zinc/10/27/19/932102719.db2.gz VLBPUIRYZSHMKF-JTQLQIEISA-N -1 1 262.305 3.312 20 0 CGADMM Cc1cc(C)c2c(n1)nc(=S)[n-]c2O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001229303972 932129040 /nfs/dbraw/zinc/12/90/40/932129040.db2.gz QGVQDDGVXBWINM-QJPTWQEYSA-N -1 1 299.399 3.274 20 0 CGADMM [O-]c1cc(O[C@@H]2CCCOC2)c(Cl)cc1Cl ZINC001229405875 932146349 /nfs/dbraw/zinc/14/63/49/932146349.db2.gz CLIXMTAVWPIDOQ-SSDOTTSWSA-N -1 1 263.120 3.257 20 0 CGADMM CCC(=O)c1ccc([O-])cc1OC1CC(F)(F)C1 ZINC001229475188 932157435 /nfs/dbraw/zinc/15/74/35/932157435.db2.gz QFGMGIIACMTXHQ-UHFFFAOYSA-N -1 1 256.248 3.161 20 0 CGADMM COc1c(O[C@@H](c2ccccc2)C(C)C)nc(C)[n-]c1=O ZINC001230020645 932524469 /nfs/dbraw/zinc/52/44/69/932524469.db2.gz GNQNNIQRAHIIKE-CYBMUJFWSA-N -1 1 288.347 3.275 20 0 CGADMM COC(=O)c1c[n-]c(O[C@H](C)c2ccc3ccccc3c2)n1 ZINC001230280661 932551076 /nfs/dbraw/zinc/55/10/76/932551076.db2.gz XWTHJKBWSNTMEV-LLVKDONJSA-N -1 1 296.326 3.490 20 0 CGADMM CCCCC[C@H](Oc1nc(C(=O)OC)c[n-]1)C(C)C ZINC001230281973 932551770 /nfs/dbraw/zinc/55/17/70/932551770.db2.gz MXGLIMLIVWGFKR-LBPRGKRZSA-N -1 1 268.357 3.180 20 0 CGADMM Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C1CC1 ZINC001332224148 932735937 /nfs/dbraw/zinc/73/59/37/932735937.db2.gz WBBJSDBFUDLTCQ-ZDUSSCGKSA-N -1 1 262.740 3.397 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1cc(F)c(C=O)cc1F ZINC001303585875 932829398 /nfs/dbraw/zinc/82/93/98/932829398.db2.gz HBSFHRKUUHJZQP-UHFFFAOYSA-N -1 1 294.257 3.141 20 0 CGADMM CC(C)(CNC(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC001304187091 932845852 /nfs/dbraw/zinc/84/58/52/932845852.db2.gz OYZHPKCRXHBFHA-UHFFFAOYSA-N -1 1 284.359 3.106 20 0 CGADMM CC(C)C[C@H](C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001312346027 933353609 /nfs/dbraw/zinc/35/36/09/933353609.db2.gz JOLNHXONXHMBGM-JTQLQIEISA-N -1 1 284.787 3.279 20 0 CGADMM C[C@@H](CNC(=O)c1cccc([O-])c1F)c1ccc(F)cc1 ZINC001464645863 937693761 /nfs/dbraw/zinc/69/37/61/937693761.db2.gz PNELJIJLUBXLAW-JTQLQIEISA-N -1 1 291.297 3.204 20 0 CGADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ncc(C)cc1[O-] ZINC001464795878 937695702 /nfs/dbraw/zinc/69/57/02/937695702.db2.gz XVNLAYWYBBUKTR-OLZOCXBDSA-N -1 1 276.380 3.184 20 0 CGADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc([O-])c2F)C1 ZINC001465441374 937700939 /nfs/dbraw/zinc/70/09/39/937700939.db2.gz CWJZLRYWXWCJBI-GHMZBOCLSA-N -1 1 297.395 3.278 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC001465593304 937701895 /nfs/dbraw/zinc/70/18/95/937701895.db2.gz LUINGPXNZMPMRL-GXTWGEPZSA-N -1 1 295.379 3.032 20 0 CGADMM CC(C)c1nc(C(=O)Nc2ccc([O-])c(Cl)c2)c[nH]1 ZINC001319952660 933963993 /nfs/dbraw/zinc/96/39/93/933963993.db2.gz PZCLZWGSMCLZLU-UHFFFAOYSA-N -1 1 279.727 3.144 20 0 CGADMM CC(C)=CC(=O)Nc1ccc(Br)c([O-])c1 ZINC001321014949 934134389 /nfs/dbraw/zinc/13/43/89/934134389.db2.gz WVSQBZRALJCPRZ-UHFFFAOYSA-N -1 1 270.126 3.059 20 0 CGADMM Cc1nc(COC(=O)c2c([O-])cc(F)cc2F)c(C)s1 ZINC001324335929 934489251 /nfs/dbraw/zinc/48/92/51/934489251.db2.gz ZNZHSAPYNAPRJM-UHFFFAOYSA-N -1 1 299.298 3.101 20 0 CGADMM CC(C)c1cncc(NC(=O)c2ccc(F)c([O-])c2)c1 ZINC001472196195 937773713 /nfs/dbraw/zinc/77/37/13/937773713.db2.gz SLVRDPCOUKUCKW-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM O=C(NCC[C@@H]1CCC(F)(F)C1)c1ccc(F)c([O-])c1 ZINC001472296471 937775245 /nfs/dbraw/zinc/77/52/45/937775245.db2.gz QAHXTUDMZXMTCX-VIFPVBQESA-N -1 1 287.281 3.087 20 0 CGADMM CC[C@@](C)(C(=O)[O-])N(Cc1nc(C)sc1C)CC1CC1 ZINC001333572409 935547906 /nfs/dbraw/zinc/54/79/06/935547906.db2.gz ZPAGBCSTJQNZCK-HNNXBMFYSA-N -1 1 296.436 3.225 20 0 CGADMM Cc1nnc([N-]C(=O)c2c(F)ccc(F)c2Cl)s1 ZINC001524539239 938044116 /nfs/dbraw/zinc/04/41/16/938044116.db2.gz FIFQOWZJKIIXOL-UHFFFAOYSA-N -1 1 289.694 3.030 20 0 CGADMM CCc1nc(NC(=O)c2cccc([O-])c2F)sc1C ZINC001539169855 938123370 /nfs/dbraw/zinc/12/33/70/938123370.db2.gz KMELQOBUKVISPQ-UHFFFAOYSA-N -1 1 280.324 3.111 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2ncc3ccccc3c2[O-])[C@@H]1C ZINC001540362255 938130506 /nfs/dbraw/zinc/13/05/06/938130506.db2.gz ZTKGZXKSGZLOLT-JMSVASOKSA-N -1 1 298.386 3.495 20 0 CGADMM O=C(NCC1(c2ccccc2)CCC1)c1cccc([O-])c1F ZINC001540636782 938132689 /nfs/dbraw/zinc/13/26/89/938132689.db2.gz OJXXPZOMYLUGAS-UHFFFAOYSA-N -1 1 299.345 3.383 20 0 CGADMM O=C(C=Cc1ccco1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001540813154 938134056 /nfs/dbraw/zinc/13/40/56/938134056.db2.gz IKRFESHBMGIMFL-FPLPWBNLSA-N -1 1 295.298 3.027 20 0 CGADMM CCC[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1ccccn1 ZINC001543046829 938137615 /nfs/dbraw/zinc/13/76/15/938137615.db2.gz RVOINFCFFNQWFM-CQSZACIVSA-N -1 1 288.322 3.198 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCCc2sccc2C1 ZINC001543071024 938137618 /nfs/dbraw/zinc/13/76/18/938137618.db2.gz WKEPIWLXBODDIZ-UHFFFAOYSA-N -1 1 291.347 3.181 20 0 CGADMM CC(C)(C)C1=CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001556090203 938201764 /nfs/dbraw/zinc/20/17/64/938201764.db2.gz LWBNUFHZUKPXIY-UHFFFAOYSA-N -1 1 277.339 3.350 20 0 CGADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc([O-])cn2)CC1 ZINC001556281542 938203105 /nfs/dbraw/zinc/20/31/05/938203105.db2.gz KNGCCSORFLAVRA-STQMWFEESA-N -1 1 276.380 3.122 20 0 CGADMM C[C@H]1C[C@@H](CCNC(=O)c2ccc([O-])cn2)CC(C)(C)C1 ZINC001556428096 938203673 /nfs/dbraw/zinc/20/36/73/938203673.db2.gz BQPVHLXAAJWVBB-QWHCGFSZSA-N -1 1 290.407 3.370 20 0 CGADMM Cc1ccc2c(c1)CCN2C(=O)c1ccc(F)c([O-])c1 ZINC001556485746 938204053 /nfs/dbraw/zinc/20/40/53/938204053.db2.gz LVERJFDFVNPIIV-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM C[C@H](CCCC(F)(F)F)NC(=O)c1cccc([O-])c1F ZINC001556500563 938204140 /nfs/dbraw/zinc/20/41/40/938204140.db2.gz LIQRCAZNYYZJIY-MRVPVSSYSA-N -1 1 293.260 3.382 20 0 CGADMM CCSCc1cc(C(=O)Nc2cccc(F)c2[O-])no1 ZINC001557957070 938212790 /nfs/dbraw/zinc/21/27/90/938212790.db2.gz QDINDAQCAVPHCQ-UHFFFAOYSA-N -1 1 296.323 3.025 20 0 CGADMM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ncc2ccccc2c1[O-] ZINC001558138781 938213633 /nfs/dbraw/zinc/21/36/33/938213633.db2.gz AXDQIYHMFJGBSU-CORIIIEPSA-N -1 1 296.370 3.249 20 0 CGADMM C[C@H]1c2sccc2CCN1C(=O)c1cccc([O-])c1F ZINC001558150822 938213902 /nfs/dbraw/zinc/21/39/02/938213902.db2.gz HRLHSCRSYYOJPT-VIFPVBQESA-N -1 1 291.347 3.352 20 0 CGADMM CC[C@H]1CC[C@H](C(=O)[N-]Oc2ccccc2F)CC1 ZINC001558228308 938214367 /nfs/dbraw/zinc/21/43/67/938214367.db2.gz WYYPDZGBLSSPHJ-HAQNSBGRSA-N -1 1 265.328 3.452 20 0 CGADMM CC[C@@H](C)CCC(=O)NCCc1c(F)cc([O-])cc1F ZINC001558516795 938215786 /nfs/dbraw/zinc/21/57/86/938215786.db2.gz WRIHRBJBQMGDKA-SNVBAGLBSA-N -1 1 285.334 3.155 20 0 CGADMM CC(C)c1ccc2cc(C(=O)Nc3ccncc3[O-])[nH]c2c1 ZINC001558928758 938218470 /nfs/dbraw/zinc/21/84/70/938218470.db2.gz RGWPOOYOHINLGY-UHFFFAOYSA-N -1 1 295.342 3.066 20 0 CGADMM CC1(C)CC[C@@H](NC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001564379590 960637737 /nfs/dbraw/zinc/63/77/37/960637737.db2.gz WKVGBVIWXAYUQH-LLVKDONJSA-N -1 1 296.798 3.424 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2C[C@H](C)CCC[C@H]2C)c1 ZINC001565785446 960825229 /nfs/dbraw/zinc/82/52/29/960825229.db2.gz ILFVTEYOYPPGKO-DGCLKSJQSA-N -1 1 289.375 3.164 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCCC2(C1)CCCCCC2 ZINC001566167503 960899662 /nfs/dbraw/zinc/89/96/62/960899662.db2.gz DTYVECSMMFUCLH-UHFFFAOYSA-N -1 1 288.391 3.364 20 0 CGADMM CCCNc1ccccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC001567443851 961336376 /nfs/dbraw/zinc/33/63/76/961336376.db2.gz ZTOKSTIAGQDQLI-UHFFFAOYSA-N -1 1 298.342 3.036 20 0 CGADMM Cc1cnc(C(=O)NCc2cccc(C(C)C)c2)c([O-])c1 ZINC001567756662 961424051 /nfs/dbraw/zinc/42/40/51/961424051.db2.gz XWEBTKZJKDUDPG-UHFFFAOYSA-N -1 1 284.359 3.149 20 0 CGADMM O=C(/C=C/c1cccc(O)c1)Nc1ccc([O-])c(F)c1F ZINC001569012825 961663533 /nfs/dbraw/zinc/66/35/33/961663533.db2.gz OIWRBYMKQZWRBE-QPJJXVBHSA-N -1 1 291.253 3.028 20 0 CGADMM CC[C@@H](NC(=O)c1cccc([O-])c1F)C1CCCC1 ZINC001569008714 961663644 /nfs/dbraw/zinc/66/36/44/961663644.db2.gz DQSHKSNHFLCFRK-GFCCVEGCSA-N -1 1 265.328 3.230 20 0 CGADMM CSc1cc(NC(=O)c2ccc([O-])cn2)ccc1Cl ZINC001570345734 961951712 /nfs/dbraw/zinc/95/17/12/961951712.db2.gz SPBXYOMXDAIYNI-UHFFFAOYSA-N -1 1 294.763 3.415 20 0 CGADMM O=C(/C=C/c1cccs1)Nc1cc(F)cc(F)c1[O-] ZINC001570465512 961974758 /nfs/dbraw/zinc/97/47/58/961974758.db2.gz BZGLYBFPUWVQLJ-ONEGZZNKSA-N -1 1 281.283 3.384 20 0 CGADMM Cc1ccccc1C1(NC(=O)c2c([O-])cccc2F)CC1 ZINC001570629381 962019342 /nfs/dbraw/zinc/01/93/42/962019342.db2.gz JQIOOLAGSWKQAZ-UHFFFAOYSA-N -1 1 285.318 3.259 20 0 CGADMM CC[C@H](N[C@@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC001573810181 962283510 /nfs/dbraw/zinc/28/35/10/962283510.db2.gz AGUTZOJCSLCBKY-JQWIXIFHSA-N -1 1 261.321 3.255 20 0 CGADMM CSc1c(F)cccc1NC(=O)c1ccc(O)cc1[O-] ZINC001584298112 962905009 /nfs/dbraw/zinc/90/50/09/962905009.db2.gz LARCQUWPWSGZLE-UHFFFAOYSA-N -1 1 293.319 3.211 20 0 CGADMM CCc1ccc(C(=O)Nc2n[nH]c3ccccc32)c([O-])c1 ZINC001586763866 963140721 /nfs/dbraw/zinc/14/07/21/963140721.db2.gz TZOCLPQJZPWDGJ-UHFFFAOYSA-N -1 1 281.315 3.083 20 0 CGADMM CCCn1ccc2ccc(NC(=O)c3ccc([O-])cn3)cc21 ZINC001586843449 963145067 /nfs/dbraw/zinc/14/50/67/963145067.db2.gz LJTXOPJDCZDRQU-UHFFFAOYSA-N -1 1 295.342 3.404 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCC2(C1)CCCCC2 ZINC001586832633 963145135 /nfs/dbraw/zinc/14/51/35/963145135.db2.gz QNSKMVOSMMBRGW-UHFFFAOYSA-N -1 1 277.339 3.328 20 0 CGADMM Cc1cnc(C(=O)NCCCCC2CCCC2)c([O-])c1 ZINC001586989428 963158807 /nfs/dbraw/zinc/15/88/07/963158807.db2.gz JHXOCBWJGASWNO-UHFFFAOYSA-N -1 1 276.380 3.186 20 0 CGADMM CCCCC[C@@H](CC)C(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC001587265794 963180969 /nfs/dbraw/zinc/18/09/69/963180969.db2.gz VLKQLWBGQCCIQN-LLVKDONJSA-N -1 1 295.383 3.131 20 0 CGADMM CCCCC[C@@H](CC)C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001587265794 963180976 /nfs/dbraw/zinc/18/09/76/963180976.db2.gz VLKQLWBGQCCIQN-LLVKDONJSA-N -1 1 295.383 3.131 20 0 CGADMM COc1ccc(C)cc1CC(=O)Nc1cccc(F)c1[O-] ZINC001587385244 963189604 /nfs/dbraw/zinc/18/96/04/963189604.db2.gz NHZYTZUTOJMTDF-UHFFFAOYSA-N -1 1 289.306 3.030 20 0 CGADMM O=C(Nc1ccc(C2CC2)cc1F)c1cncc([O-])c1 ZINC001588088811 963245088 /nfs/dbraw/zinc/24/50/88/963245088.db2.gz OHLSPIIFODAXBS-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM C/C(=C/C(=O)[O-])CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC001588949400 963333927 /nfs/dbraw/zinc/33/39/27/963333927.db2.gz QYEYAAHXUGKDII-CHOZFAJLSA-N -1 1 265.740 3.118 20 0 CGADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c(F)c1 ZINC001605278035 973074728 /nfs/dbraw/zinc/07/47/28/973074728.db2.gz VTJIULMCRFRQDX-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM CC[C@H](C)[C@H](NCc1nc2cc(C)ccc2s1)C(=O)[O-] ZINC001603934938 974422511 /nfs/dbraw/zinc/42/25/11/974422511.db2.gz GYKJILLUKLHPEF-HZMBPMFUSA-N -1 1 292.404 3.194 20 0 CGADMM CC[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC001595299363 980426576 /nfs/dbraw/zinc/42/65/76/980426576.db2.gz QTIWVWAYUCNXQO-CQSZACIVSA-N -1 1 277.295 3.358 20 0 CGADMM CC[C@@H]1CN(Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)CCS1 ZINC001595489442 981238753 /nfs/dbraw/zinc/23/87/53/981238753.db2.gz VFXINTZDYTZZTI-GFCCVEGCSA-N -1 1 296.436 3.164 20 0 CGADMM CCc1cccc(CNCc2cc(C(=O)[O-])oc2C)c1 ZINC001597586250 988401489 /nfs/dbraw/zinc/40/14/89/988401489.db2.gz CENWJUQPSGBIQH-UHFFFAOYSA-N -1 1 273.332 3.138 20 0 CGADMM C[C@@H](NCc1ccc(C(=O)[O-])n1C)c1ccccc1Cl ZINC001599841374 988840111 /nfs/dbraw/zinc/84/01/11/988840111.db2.gz CMXIZCDCKUNSOU-SNVBAGLBSA-N -1 1 292.766 3.228 20 0 CGADMM C[N@@H+](CCOC(C)(C)C)Cc1c(Cl)cccc1C(=O)[O-] ZINC001598496740 992377055 /nfs/dbraw/zinc/37/70/55/992377055.db2.gz BYKXUXPONNSKHU-UHFFFAOYSA-N -1 1 299.798 3.285 20 0 CGADMM CN(CCOC(C)(C)C)Cc1c(Cl)cccc1C(=O)[O-] ZINC001598496740 992377063 /nfs/dbraw/zinc/37/70/63/992377063.db2.gz BYKXUXPONNSKHU-UHFFFAOYSA-N -1 1 299.798 3.285 20 0 CGADMM C[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccc[nH]1 ZINC001593287820 994650117 /nfs/dbraw/zinc/65/01/17/994650117.db2.gz AELIAWXKAUPOPS-SECBINFHSA-N -1 1 278.739 3.217 20 0 CGADMM C[C@H](c1ccccc1)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593713073 996217872 /nfs/dbraw/zinc/21/78/72/996217872.db2.gz BXSYDAFHFMWZMI-CYBMUJFWSA-N -1 1 297.354 3.340 20 0 CGADMM CC1(c2ccccc2)CN(Cc2cc(C(=O)[O-])cs2)C1 ZINC001594078888 997956573 /nfs/dbraw/zinc/95/65/73/997956573.db2.gz AXQSRVCWFMCBEA-UHFFFAOYSA-N -1 1 287.384 3.220 20 0 CGADMM CC12CC(C1)CN2C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000621215559 349473961 /nfs/dbraw/zinc/47/39/61/349473961.db2.gz JMINNJNOYHVOQP-UHFFFAOYSA-N -1 1 285.265 3.036 20 0 CGADMM CC[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1nccs1 ZINC000622383918 349676000 /nfs/dbraw/zinc/67/60/00/349676000.db2.gz QMEGFBWSMRIWSR-MRVPVSSYSA-N -1 1 298.314 3.008 20 0 CGADMM CC[C@@H](NC(=O)c1cc2ccccc2cc1[O-])[C@@H]1CCCO1 ZINC000436600685 529666352 /nfs/dbraw/zinc/66/63/52/529666352.db2.gz ASMRQCPUXRFLRK-WBVHZDCISA-N -1 1 299.370 3.233 20 0 CGADMM CCc1ccc(S(=O)(=O)[N-]c2cscc2C)cc1 ZINC000161589977 529699229 /nfs/dbraw/zinc/69/92/29/529699229.db2.gz JATSXJPYNBGOMF-UHFFFAOYSA-N -1 1 281.402 3.420 20 0 CGADMM COC(=O)[C@@H](CC(C)(C)C)NCc1cccc([O-])c1Cl ZINC000592524835 346995423 /nfs/dbraw/zinc/99/54/23/346995423.db2.gz FHPKXHNJGHPLOA-LLVKDONJSA-N -1 1 299.798 3.113 20 0 CGADMM COc1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)c([O-])c1 ZINC000029879578 344920713 /nfs/dbraw/zinc/92/07/13/344920713.db2.gz VIMLQGKXSQIGKN-UHFFFAOYSA-N -1 1 296.326 3.443 20 0 CGADMM CCCc1nsc([N-]c2cnn(C(C)C)c2)n1 ZINC000087641792 345756128 /nfs/dbraw/zinc/75/61/28/345756128.db2.gz DTDIRASGKUUORQ-UHFFFAOYSA-N -1 1 251.359 3.012 20 0 CGADMM O=C(NCc1cc2ccccc2o1)c1c([O-])cccc1F ZINC000119831639 345995151 /nfs/dbraw/zinc/99/51/51/345995151.db2.gz YWSJHOQHBKAARL-UHFFFAOYSA-N -1 1 285.274 3.208 20 0 CGADMM Cc1c2c(sc1NC(=O)c1cncc([O-])c1)CCCC2 ZINC000175831638 232325791 /nfs/dbraw/zinc/32/57/91/232325791.db2.gz XQVBLKSMHPAIRW-UHFFFAOYSA-N -1 1 288.372 3.288 20 0 CGADMM CC1(C)CCCC[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000128687785 346043231 /nfs/dbraw/zinc/04/32/31/346043231.db2.gz LATOZQWUCQRNJL-CYBMUJFWSA-N -1 1 265.328 3.230 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C/C3CCOCC3)n2)cc1F ZINC000350839058 346524851 /nfs/dbraw/zinc/52/48/51/346524851.db2.gz RZSQWFLQBIFQNC-DAFODLJHSA-N -1 1 290.294 3.021 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1cc(F)ccc1Cl)CC2 ZINC000405371524 346603455 /nfs/dbraw/zinc/60/34/55/346603455.db2.gz QCNJMYSITSFKNF-LBPRGKRZSA-N -1 1 297.757 3.166 20 0 CGADMM CSc1ccc(NCc2cccc([O-])c2Cl)nc1 ZINC000339308110 215083718 /nfs/dbraw/zinc/08/37/18/215083718.db2.gz UGXQWLXHLUQDEZ-UHFFFAOYSA-N -1 1 280.780 3.197 20 0 CGADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(F)ccc1[O-] ZINC000128640193 187381744 /nfs/dbraw/zinc/38/17/44/187381744.db2.gz ICUGLOOTQSTDDN-ZWNOBZJWSA-N -1 1 265.328 3.182 20 0 CGADMM CCc1nc(C(C)(C)NCc2cccc([O-])c2Cl)no1 ZINC000339388850 215138717 /nfs/dbraw/zinc/13/87/17/215138717.db2.gz BSGVQJFVNZTSTJ-UHFFFAOYSA-N -1 1 295.770 3.016 20 0 CGADMM C[C@H](C(=O)Nc1c([O-])cccc1F)c1ccccc1F ZINC000608366426 348301116 /nfs/dbraw/zinc/30/11/16/348301116.db2.gz UZDISYFHNFCNJX-VIFPVBQESA-N -1 1 277.270 3.413 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CSc2ccccc21 ZINC000608365771 348301204 /nfs/dbraw/zinc/30/12/04/348301204.db2.gz JGQMRKFIVYKPSR-JTQLQIEISA-N -1 1 289.331 3.359 20 0 CGADMM C[C@H](Oc1ccccc1F)C(=O)Nc1c([O-])cccc1F ZINC000608366378 348301430 /nfs/dbraw/zinc/30/14/30/348301430.db2.gz IUQOFXBMBHZFRJ-VIFPVBQESA-N -1 1 293.269 3.076 20 0 CGADMM [O-]c1c(-c2nc(C[C@@H]3CCCO3)no2)ccc2ccccc21 ZINC000273359304 192125731 /nfs/dbraw/zinc/12/57/31/192125731.db2.gz AMSDVMPGXYFDGC-LBPRGKRZSA-N -1 1 296.326 3.317 20 0 CGADMM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000613512299 348613971 /nfs/dbraw/zinc/61/39/71/348613971.db2.gz LRBFTCDEMBACIA-NWDGAFQWSA-N -1 1 297.395 3.325 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2ncc3ccccc3c2[O-])CC1(C)C ZINC000615240638 348726668 /nfs/dbraw/zinc/72/66/68/348726668.db2.gz WEQZTFUCFOSRRD-MRXNPFEDSA-N -1 1 298.386 3.447 20 0 CGADMM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000617179227 348926376 /nfs/dbraw/zinc/92/63/76/348926376.db2.gz ZVKIAMQYABTKEM-CQSZACIVSA-N -1 1 296.370 3.381 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)C1CCC(F)CC1 ZINC000619956781 349296845 /nfs/dbraw/zinc/29/68/45/349296845.db2.gz FCNFYRUHUIWZFW-KPPDAEKUSA-N -1 1 283.318 3.178 20 0 CGADMM C[C@@H](CC(=O)Nc1cccc(F)c1[O-])C(F)(F)F ZINC000628960718 350626341 /nfs/dbraw/zinc/62/63/41/350626341.db2.gz XJFBMLQBXODLAP-LURJTMIESA-N -1 1 265.206 3.058 20 0 CGADMM CCC1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCC1 ZINC000629375715 350683658 /nfs/dbraw/zinc/68/36/58/350683658.db2.gz MYYLRUBUOKGUJN-UHFFFAOYSA-N -1 1 285.347 3.097 20 0 CGADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629379085 350684865 /nfs/dbraw/zinc/68/48/65/350684865.db2.gz MJZSKZDFQPJXKC-RHSMWYFYSA-N -1 1 299.374 3.199 20 0 CGADMM CC(C)n1nccc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630576374 350855106 /nfs/dbraw/zinc/85/51/06/350855106.db2.gz ZLXZMBPARAESNH-UHFFFAOYSA-N -1 1 293.754 3.004 20 0 CGADMM C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631470597 351046370 /nfs/dbraw/zinc/04/63/70/351046370.db2.gz QZMQFSIDMUDJJU-WDEREUQCSA-N -1 1 281.783 3.235 20 0 CGADMM CC1(C)CCC[C@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631653343 351107269 /nfs/dbraw/zinc/10/72/69/351107269.db2.gz ZMCLZFCQAZKTNE-CYBMUJFWSA-N -1 1 281.783 3.283 20 0 CGADMM C[C@H]1CC[C@H](C)N(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000631570886 351070398 /nfs/dbraw/zinc/07/03/98/351070398.db2.gz VBPXWAXDLFOKKZ-QWRGUYRKSA-N -1 1 281.783 3.235 20 0 CGADMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC000631728606 351128566 /nfs/dbraw/zinc/12/85/66/351128566.db2.gz UTZJARUGZGTXCW-BDAKNGLRSA-N -1 1 293.335 3.074 20 0 CGADMM COC[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000113435583 186576985 /nfs/dbraw/zinc/57/69/85/186576985.db2.gz IBSNEJDNLPCOFR-CYBMUJFWSA-N -1 1 299.370 3.044 20 0 CGADMM O=S(=O)([N-][C@@H]1CCCC12CC2)c1sccc1Cl ZINC000632613991 351206724 /nfs/dbraw/zinc/20/67/24/351206724.db2.gz ZDQUNUGZLBXDRI-SECBINFHSA-N -1 1 291.825 3.013 20 0 CGADMM C[C@@H]1CC[C@@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000632828387 351220837 /nfs/dbraw/zinc/22/08/37/351220837.db2.gz ZGLJZOMALUMDFW-ZYHUDNBSSA-N -1 1 281.783 3.141 20 0 CGADMM CC(C)(C(=O)Nc1ccc([O-])c(F)c1F)[C@H]1CCCCO1 ZINC000633360243 351284791 /nfs/dbraw/zinc/28/47/91/351284791.db2.gz BKIQVFYTXKQNAL-LLVKDONJSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3nc4ccccc4s3)c(=O)c21 ZINC000634585525 351525430 /nfs/dbraw/zinc/52/54/30/351525430.db2.gz JGSRHUZNQKNAIA-UFBFGSQYSA-N -1 1 271.345 3.045 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3ccc(F)c(F)c3)c(=O)c2C1 ZINC000634590784 351527786 /nfs/dbraw/zinc/52/77/86/351527786.db2.gz JTWMGSSRSLURLJ-ONGXEEELSA-N -1 1 278.302 3.099 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3cc(F)ccc3F)c(=O)c2C1 ZINC000634596780 351533422 /nfs/dbraw/zinc/53/34/22/351533422.db2.gz QSFQLAVQHOCGBO-BXKDBHETSA-N -1 1 278.302 3.099 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(F)c(Cl)c2)c1=O ZINC000634597000 351533603 /nfs/dbraw/zinc/53/36/03/351533603.db2.gz YOBNPMKTSMWKJY-SECBINFHSA-N -1 1 254.692 3.228 20 0 CGADMM CCCc1c(C)[n-]n(Cc2ccccc2Cl)c1=O ZINC000634597352 351534476 /nfs/dbraw/zinc/53/44/76/351534476.db2.gz HTPWRODFLQLEJV-LBPRGKRZSA-N -1 1 264.756 3.474 20 0 CGADMM C[C@@H]1CCc2[n-]n(CCc3ccccc3F)c(=O)c2C1 ZINC000634612205 351542109 /nfs/dbraw/zinc/54/21/09/351542109.db2.gz ROECPSYWOPYEPH-DGCLKSJQSA-N -1 1 274.339 3.003 20 0 CGADMM C[C@H]1CCc2[n-]n(CCc3ccccc3F)c(=O)c2C1 ZINC000634612206 351542257 /nfs/dbraw/zinc/54/22/57/351542257.db2.gz ROECPSYWOPYEPH-WCQYABFASA-N -1 1 274.339 3.003 20 0 CGADMM CCCc1c(C)[n-]n(-c2cc(F)c(F)c(F)c2)c1=O ZINC000634614013 351543729 /nfs/dbraw/zinc/54/37/29/351543729.db2.gz OVFSURVCKPDVHZ-SECBINFHSA-N -1 1 270.254 3.243 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(Br)c(F)c2)[n-]1 ZINC000634616425 351544244 /nfs/dbraw/zinc/54/42/44/351544244.db2.gz MAPXLVNGIAWSIL-UHFFFAOYSA-N -1 1 299.143 3.481 20 0 CGADMM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ncccc1[O-] ZINC000291677808 198059999 /nfs/dbraw/zinc/05/99/99/198059999.db2.gz HIWGHNQKNSTAOO-NEPJUHHUSA-N -1 1 276.380 3.074 20 0 CGADMM CC(C)(CNC(=O)c1ccc([O-])cc1F)c1cccs1 ZINC000154894795 188168256 /nfs/dbraw/zinc/16/82/56/188168256.db2.gz GOAULICLDUCCMR-UHFFFAOYSA-N -1 1 293.363 3.300 20 0 CGADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000436609585 237144790 /nfs/dbraw/zinc/14/47/90/237144790.db2.gz SGQUDZYCYJJQJV-RYUDHWBXSA-N -1 1 287.334 3.453 20 0 CGADMM O=C(NC1(c2ccccc2F)CC1)c1cc(F)ccc1[O-] ZINC000436541299 237122939 /nfs/dbraw/zinc/12/29/39/237122939.db2.gz ZJCOSVJDNANFOK-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM C[C@H](C[C@@H]1CCCO1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436724144 237166023 /nfs/dbraw/zinc/16/60/23/237166023.db2.gz PIYSPSJOUBENSH-DOMZBBRYSA-N -1 1 299.370 3.233 20 0 CGADMM CN(C(=O)c1cc(Cl)ccc1[O-])C1(C)CCCC1 ZINC000436740467 237170240 /nfs/dbraw/zinc/17/02/40/237170240.db2.gz QTHFISDHRVZBMZ-UHFFFAOYSA-N -1 1 267.756 3.450 20 0 CGADMM Cc1nn(C)c(C)c1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436755112 237176185 /nfs/dbraw/zinc/17/61/85/237176185.db2.gz LQPVYPUERFHKKU-UHFFFAOYSA-N -1 1 295.342 3.148 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C1CC1)c1c([O-])cccc1F ZINC000436942821 237218167 /nfs/dbraw/zinc/21/81/67/237218167.db2.gz JELKAKBQDBGDKE-INIZCTEOSA-N -1 1 285.318 3.412 20 0 CGADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1cncs1 ZINC000436977420 237227296 /nfs/dbraw/zinc/22/72/96/237227296.db2.gz DSISFUCRONBFKA-JTQLQIEISA-N -1 1 298.367 3.493 20 0 CGADMM O=C(NCC1(C(F)F)CC1)c1cc2ccccc2cc1[O-] ZINC000436856670 237196845 /nfs/dbraw/zinc/19/68/45/237196845.db2.gz YWKWNJBYIJGTKV-UHFFFAOYSA-N -1 1 291.297 3.321 20 0 CGADMM CC(C)c1ccc([C@H](C)CC(=O)[N-]OC(C)(C)CO)cc1 ZINC000297169547 200104164 /nfs/dbraw/zinc/10/41/64/200104164.db2.gz KIRGSFCSACTFCQ-CYBMUJFWSA-N -1 1 293.407 3.122 20 0 CGADMM CCC[C@H](OC)c1nc(-c2ccc([O-])cc2F)no1 ZINC000297109815 200088038 /nfs/dbraw/zinc/08/80/38/200088038.db2.gz YBCGURHLBCNZBK-NSHDSACASA-N -1 1 266.272 3.069 20 0 CGADMM CCOc1cc(CN2CC[C@H](C)C2)cc(Cl)c1O ZINC000297904033 200301853 /nfs/dbraw/zinc/30/18/53/200301853.db2.gz RTQHLVMHHHVOLX-JTQLQIEISA-N -1 1 269.772 3.286 20 0 CGADMM CSc1cccc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000335676661 212397198 /nfs/dbraw/zinc/39/71/98/212397198.db2.gz WLHRASZXWIFSRO-UHFFFAOYSA-N -1 1 296.298 3.040 20 0 CGADMM CC[C@]1(C)CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000335528605 212221727 /nfs/dbraw/zinc/22/17/27/212221727.db2.gz FCYNOEGYVUVMRC-CQSZACIVSA-N -1 1 277.393 3.019 20 0 CGADMM CSc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000012038427 368603798 /nfs/dbraw/zinc/60/37/98/368603798.db2.gz QLYXTPPSONHBPK-UHFFFAOYSA-N -1 1 259.330 3.366 20 0 CGADMM O=C(NCc1ccccc1F)c1ccc(Cl)cc1[O-] ZINC000019839765 368771594 /nfs/dbraw/zinc/77/15/94/368771594.db2.gz YPWSQCRMEJFOQR-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM Cc1nc(SCC(=O)C2CCCCC2)[n-]c(=O)c1C ZINC000330670529 203098650 /nfs/dbraw/zinc/09/86/50/203098650.db2.gz DRIPXDYUCQCXOD-UHFFFAOYSA-N -1 1 280.393 3.041 20 0 CGADMM CCN(CCC(=O)[O-])Cc1csc(-c2ccsc2)n1 ZINC000038024863 369142456 /nfs/dbraw/zinc/14/24/56/369142456.db2.gz DNKMAZCPPFVFLT-UHFFFAOYSA-N -1 1 296.417 3.168 20 0 CGADMM CN(CCCC(=O)[O-])Cc1csc(-c2ccsc2)n1 ZINC000042717281 369229964 /nfs/dbraw/zinc/22/99/64/369229964.db2.gz VUKIEAZIBJRFFC-UHFFFAOYSA-N -1 1 296.417 3.168 20 0 CGADMM Cc1ccc([C@H]2CCCN2C(=O)c2cncc([O-])c2)cc1C ZINC000109957832 370367901 /nfs/dbraw/zinc/36/79/01/370367901.db2.gz CRVPQNIVNGQKGY-QGZVFWFLSA-N -1 1 296.370 3.381 20 0 CGADMM C[C@H]1SCCN(C(=O)c2ccc(Cl)cc2[O-])[C@H]1C ZINC000118286283 370610123 /nfs/dbraw/zinc/61/01/23/370610123.db2.gz GUCUIESQJHTXEI-DTWKUNHWSA-N -1 1 285.796 3.012 20 0 CGADMM CS(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)s1 ZINC000000006765 541847917 /nfs/dbraw/zinc/84/79/17/541847917.db2.gz BEIZIEZPGSIQGR-UHFFFAOYSA-N -1 1 287.337 3.051 20 0 CGADMM O=C(Nc1nc2ccccc2s1)c1cc(F)ccc1[O-] ZINC000149014737 371526302 /nfs/dbraw/zinc/52/63/02/371526302.db2.gz SQMYGTPRCKZQRF-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM COCCCO[N-]C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000288019772 371724975 /nfs/dbraw/zinc/72/49/75/371724975.db2.gz HGANONURHBUUDT-CYBMUJFWSA-N -1 1 287.359 3.028 20 0 CGADMM CC(C)CCOCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289616723 371773539 /nfs/dbraw/zinc/77/35/39/371773539.db2.gz UQXANKAAAKFWQA-UHFFFAOYSA-N -1 1 292.351 3.275 20 0 CGADMM O=c1cc(C(F)F)nc(SCc2ncc(C3CC3)o2)[n-]1 ZINC000289661471 371786117 /nfs/dbraw/zinc/78/61/17/371786117.db2.gz XYEROBUJDHYPEF-UHFFFAOYSA-N -1 1 299.302 3.278 20 0 CGADMM CCCS(=O)(=O)[N-]c1ccc(-c2ccccc2)c(C)n1 ZINC000290982318 372086211 /nfs/dbraw/zinc/08/62/11/372086211.db2.gz RSSFOQVJONSOBE-UHFFFAOYSA-N -1 1 290.388 3.209 20 0 CGADMM C[C@H]1CCCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000161147481 372306080 /nfs/dbraw/zinc/30/60/80/372306080.db2.gz FWJBOVJZVHGOCY-VIFPVBQESA-N -1 1 298.180 3.169 20 0 CGADMM C[C@@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)[C@H]1C ZINC000293959335 372538048 /nfs/dbraw/zinc/53/80/48/372538048.db2.gz GAXFFXSANUNEJI-BDAKNGLRSA-N -1 1 290.750 3.074 20 0 CGADMM CC1(C)CCCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000438386863 372949337 /nfs/dbraw/zinc/94/93/37/372949337.db2.gz KBACCCNVALRPGO-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccccc1 ZINC000442847826 373102957 /nfs/dbraw/zinc/10/29/57/373102957.db2.gz MDCKMIRNQMCFHN-UHFFFAOYSA-N -1 1 273.313 3.234 20 0 CGADMM Cc1ccc(F)c(CN(C)C(=O)c2cc(F)ccc2[O-])c1 ZINC000444422622 373188177 /nfs/dbraw/zinc/18/81/77/373188177.db2.gz HDCKIWBFEJRGLC-UHFFFAOYSA-N -1 1 291.297 3.251 20 0 CGADMM CCCCC(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000444808448 373278039 /nfs/dbraw/zinc/27/80/39/373278039.db2.gz RSBNYJKLEUXVPS-UHFFFAOYSA-N -1 1 275.327 3.075 20 0 CGADMM COC(=O)[C@H](CC(C)C)N(C)Cc1cccc([O-])c1Cl ZINC000449428332 373703209 /nfs/dbraw/zinc/70/32/09/373703209.db2.gz UEGZAWJYGZEGPG-LBPRGKRZSA-N -1 1 299.798 3.065 20 0 CGADMM O=C(Nc1ccc2[nH]ccc2c1)c1ccc([O-])cc1F ZINC000181101598 374080746 /nfs/dbraw/zinc/08/07/46/374080746.db2.gz UHLUYXLQSCKMKK-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM C[C@H]1Cc2ccccc2N1C(=O)c1ccc([O-])cc1F ZINC000181855460 374182110 /nfs/dbraw/zinc/18/21/10/374182110.db2.gz CZWVZGGRKSFGBE-JTQLQIEISA-N -1 1 271.291 3.123 20 0 CGADMM CC[C@@H]1C[C@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000450465221 374148586 /nfs/dbraw/zinc/14/85/86/374148586.db2.gz DOPXCPBYVWJGPS-RKDXNWHRSA-N -1 1 298.180 3.448 20 0 CGADMM CSC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000311954546 374264629 /nfs/dbraw/zinc/26/46/29/374264629.db2.gz MEWLGUMMRIGWEY-SNVBAGLBSA-N -1 1 299.823 3.261 20 0 CGADMM CCc1cnccc1-c1noc(-c2ccc(OC)cc2[O-])n1 ZINC000318059181 374342231 /nfs/dbraw/zinc/34/22/31/374342231.db2.gz LEJIIPQXHQEJED-UHFFFAOYSA-N -1 1 297.314 3.075 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc[nH]2)c1 ZINC000182918666 374342967 /nfs/dbraw/zinc/34/29/67/374342967.db2.gz NKVGIZXFPGGAAV-UHFFFAOYSA-N -1 1 295.136 3.044 20 0 CGADMM O=C(Nc1ncc(Cl)s1)c1cc(-c2ccco2)n[nH]1 ZINC000081738750 541926954 /nfs/dbraw/zinc/92/69/54/541926954.db2.gz BHNKAKWEJNXSJG-UHFFFAOYSA-N -1 1 294.723 3.032 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCOc2ccccc21 ZINC000089541311 541953225 /nfs/dbraw/zinc/95/32/25/541953225.db2.gz KZNDVYPNOJTULJ-NSHDSACASA-N -1 1 287.290 3.036 20 0 CGADMM C[C@@H]1CC[C@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000331528075 374540602 /nfs/dbraw/zinc/54/06/02/374540602.db2.gz GDTNLECMWBNFTK-BDAKNGLRSA-N -1 1 262.284 3.485 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCc2cc(F)c(F)cc21 ZINC000334206031 206191290 /nfs/dbraw/zinc/19/12/90/206191290.db2.gz VSUFHMKCTSHDIL-UHFFFAOYSA-N -1 1 293.244 3.012 20 0 CGADMM O=C(CCCC1CCOCC1)Nc1ccc([O-])c(F)c1F ZINC000456789130 374623692 /nfs/dbraw/zinc/62/36/92/374623692.db2.gz SSFJTCCHLMTWEX-UHFFFAOYSA-N -1 1 299.317 3.206 20 0 CGADMM CC(C)[C@@H](C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456795042 374626764 /nfs/dbraw/zinc/62/67/64/374626764.db2.gz RIHQWKDGYNCQDM-QMMMGPOBSA-N -1 1 257.280 3.291 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C)cc1C ZINC000334381399 374701006 /nfs/dbraw/zinc/70/10/06/374701006.db2.gz JJOPFXGQQSQJCZ-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1cccs1 ZINC000334374454 374694657 /nfs/dbraw/zinc/69/46/57/374694657.db2.gz CVZBURSZEZYEKW-ZETCQYMHSA-N -1 1 283.299 3.223 20 0 CGADMM CC(=O)c1cc(C(=O)Nc2cccc([O-])c2F)cs1 ZINC000334429226 374742826 /nfs/dbraw/zinc/74/28/26/374742826.db2.gz YSRXTJQSIQTXEC-UHFFFAOYSA-N -1 1 279.292 3.048 20 0 CGADMM C[C@@H](CC(F)(F)F)N=c1[n-]c(C(F)(F)F)cs1 ZINC000463747759 374848636 /nfs/dbraw/zinc/84/86/36/374848636.db2.gz RCCWEQNNHDGQPC-BYPYZUCNSA-N -1 1 278.221 3.337 20 0 CGADMM Cc1onc(C2CC2)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000334651372 374942707 /nfs/dbraw/zinc/94/27/07/374942707.db2.gz LFOJWLRVRQPNSB-UHFFFAOYSA-N -1 1 292.722 3.472 20 0 CGADMM CN(CC1(c2ccccc2)CC1)C(=O)c1cc(F)ccc1[O-] ZINC000186754942 374912251 /nfs/dbraw/zinc/91/22/51/374912251.db2.gz MUVIHEHCHFGIDN-UHFFFAOYSA-N -1 1 299.345 3.335 20 0 CGADMM COc1cc(C(=O)N2CCC[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000335703162 375360519 /nfs/dbraw/zinc/36/05/19/375360519.db2.gz UEELBSSVRKBRSJ-LBPRGKRZSA-N -1 1 297.782 3.315 20 0 CGADMM Cc1ccc2nc(-c3ccc(O)cc3Cl)[n-]c(=O)c2c1 ZINC000190098176 375477711 /nfs/dbraw/zinc/47/77/11/375477711.db2.gz SOAOJHUODOSKKK-UHFFFAOYSA-N -1 1 286.718 3.258 20 0 CGADMM CC(C)(C)C1CC(NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000335974920 375584473 /nfs/dbraw/zinc/58/44/73/375584473.db2.gz PZRQPXMKWWQOFX-UHFFFAOYSA-N -1 1 283.318 3.225 20 0 CGADMM C[C@@H]1C[C@H](C)N1C(=O)c1ccc2ccccc2c1[O-] ZINC000336157882 375735344 /nfs/dbraw/zinc/73/53/44/375735344.db2.gz GFMHXBSZLCIGEQ-PHIMTYICSA-N -1 1 255.317 3.168 20 0 CGADMM O=C(c1ncccc1[O-])N1CCC[C@H]1/C=C/c1ccccc1 ZINC000336528609 375807729 /nfs/dbraw/zinc/80/77/29/375807729.db2.gz GPNUHVUDTSDTNX-NKSUMMKUSA-N -1 1 294.354 3.105 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCCCCO1 ZINC000436889815 296240611 /nfs/dbraw/zinc/24/06/11/296240611.db2.gz ZTBBMLFVMIAQJW-UHFFFAOYSA-N -1 1 271.316 3.103 20 0 CGADMM Cc1nc(SCCOc2ccc(F)cc2)[n-]c(=O)c1C ZINC000540715379 376392615 /nfs/dbraw/zinc/39/26/15/376392615.db2.gz KUICZWGRCOMETF-UHFFFAOYSA-N -1 1 294.351 3.109 20 0 CGADMM Cc1nc(C(=O)Nc2ccc(Cl)cc2[O-])c(C)s1 ZINC000339007311 376627245 /nfs/dbraw/zinc/62/72/45/376627245.db2.gz OYRWAVPTXIIXAN-UHFFFAOYSA-N -1 1 282.752 3.371 20 0 CGADMM CC(C)c1ccc(C[C@@H](C)NC(=O)c2cncc([O-])c2)cc1 ZINC000340005722 376888890 /nfs/dbraw/zinc/88/88/90/376888890.db2.gz NZFSTYVXJYDOSQ-CYBMUJFWSA-N -1 1 298.386 3.272 20 0 CGADMM Cc1cc(F)ccc1C(=O)Nc1ccc(F)cc1[O-] ZINC000340329855 377004688 /nfs/dbraw/zinc/00/46/88/377004688.db2.gz MBEOCUCFJWYJKH-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM COc1ccc(C)cc1CC(=O)Nc1ccc(F)cc1[O-] ZINC000340330897 377007224 /nfs/dbraw/zinc/00/72/24/377007224.db2.gz MXBIZMOSYTYCIQ-UHFFFAOYSA-N -1 1 289.306 3.030 20 0 CGADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])sc1C ZINC000340331039 377007826 /nfs/dbraw/zinc/00/78/26/377007826.db2.gz OFTJRZMBGYICHZ-UHFFFAOYSA-N -1 1 265.309 3.462 20 0 CGADMM O=C([O-])CC1(CN2CCc3sc(Cl)cc3C2)CC1 ZINC000563282786 377434643 /nfs/dbraw/zinc/43/46/43/377434643.db2.gz NOYKTUDVUPOLPU-UHFFFAOYSA-N -1 1 285.796 3.015 20 0 CGADMM Cc1onc(CN2CCC[C@@]3(CC=CCC3)C2)c1C(=O)[O-] ZINC000575130641 377751458 /nfs/dbraw/zinc/75/14/58/377751458.db2.gz FHLVCGZVOREZED-INIZCTEOSA-N -1 1 290.363 3.004 20 0 CGADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ncc(C(C)(C)C)s1 ZINC000263375153 377928894 /nfs/dbraw/zinc/92/88/94/377928894.db2.gz WLCCAEYVBHVZFF-QWRGUYRKSA-N -1 1 296.436 3.126 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CN[C@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000263437485 377936479 /nfs/dbraw/zinc/93/64/79/377936479.db2.gz VCWMOULJGJBGLF-VBNZEHGJSA-N -1 1 299.370 3.189 20 0 CGADMM C[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000263432303 377936588 /nfs/dbraw/zinc/93/65/88/377936588.db2.gz SPNWFNAVWYNTDZ-JTQLQIEISA-N -1 1 293.363 3.459 20 0 CGADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000578953608 378115989 /nfs/dbraw/zinc/11/59/89/378115989.db2.gz YWLAWYJONRWYFB-DYEKYZERSA-N -1 1 297.358 3.157 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](F)C1 ZINC000580088288 378223836 /nfs/dbraw/zinc/22/38/36/378223836.db2.gz OCBFJGURYUBJLU-LBPRGKRZSA-N -1 1 273.307 3.120 20 0 CGADMM Cc1cccc(Cc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000579432170 378159594 /nfs/dbraw/zinc/15/95/94/378159594.db2.gz PICSMENHUHELRO-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM CCc1ccc(CSc2ncc(C)c(=O)[n-]2)cc1 ZINC000580964229 378273046 /nfs/dbraw/zinc/27/30/46/378273046.db2.gz ZZCOTSRYMVNTJC-UHFFFAOYSA-N -1 1 260.362 3.345 20 0 CGADMM O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1cncc([O-])c1 ZINC000582317566 378303677 /nfs/dbraw/zinc/30/36/77/378303677.db2.gz XSZNJUKDLSMDDB-GDBMZVCRSA-N -1 1 296.370 3.243 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc2c([nH]1)CCCC2 ZINC000583796521 378346976 /nfs/dbraw/zinc/34/69/76/378346976.db2.gz CZAXRTGMOBBDOH-UHFFFAOYSA-N -1 1 292.285 3.130 20 0 CGADMM CC1(C)CCCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000348740581 379035939 /nfs/dbraw/zinc/03/59/39/379035939.db2.gz NUCZSTRFZYWVJY-UHFFFAOYSA-N -1 1 283.318 3.323 20 0 CGADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1c(F)ccc([O-])c1F ZINC000348737502 379036397 /nfs/dbraw/zinc/03/63/97/379036397.db2.gz DIMVPBUHWMKKJC-HBNTYKKESA-N -1 1 295.329 3.369 20 0 CGADMM O=C([N-]C1(c2ccc(Cl)c(Cl)c2)CC1)C(F)F ZINC000278749970 194136594 /nfs/dbraw/zinc/13/65/94/194136594.db2.gz SINSVOAJPHOSFA-UHFFFAOYSA-N -1 1 280.101 3.364 20 0 CGADMM CSCCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278105291 379293243 /nfs/dbraw/zinc/29/32/43/379293243.db2.gz IJSCTRKYYILGHZ-UHFFFAOYSA-N -1 1 282.340 3.267 20 0 CGADMM [O-]c1ccc(-c2noc(CC[C@H]3CCOC3)n2)c(Cl)c1 ZINC000278299559 379341898 /nfs/dbraw/zinc/34/18/98/379341898.db2.gz XMPHISDYFHLXFE-VIFPVBQESA-N -1 1 294.738 3.065 20 0 CGADMM CN1C(=O)c2ccccc2N[C@H]1c1cccc([O-])c1Cl ZINC000639406642 379368147 /nfs/dbraw/zinc/36/81/47/379368147.db2.gz BMXWQTZRNFEVKS-CQSZACIVSA-N -1 1 288.734 3.242 20 0 CGADMM Cc1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)o1 ZINC000350791208 379582247 /nfs/dbraw/zinc/58/22/47/379582247.db2.gz FBMRBFVQNTWDOY-UHFFFAOYSA-N -1 1 260.224 3.150 20 0 CGADMM C[C@@H]1CC[C@@H](C)N1C(=O)N=c1[n-]sc2ccccc21 ZINC000640344046 379769751 /nfs/dbraw/zinc/76/97/51/379769751.db2.gz ZFUGBWCLASVSSW-NXEZZACHSA-N -1 1 275.377 3.123 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@@H]2CC(C)(C)C)c([O-])c1 ZINC000408366908 380007377 /nfs/dbraw/zinc/00/73/77/380007377.db2.gz PLTOLPQYPOWVJM-GFCCVEGCSA-N -1 1 276.380 3.136 20 0 CGADMM CC(C)[C@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000354747783 380548672 /nfs/dbraw/zinc/54/86/72/380548672.db2.gz ZJEUSZIITVOHBV-JTQLQIEISA-N -1 1 273.336 3.013 20 0 CGADMM CCc1nc(CNCc2ccsc2C)ccc1C(=O)[O-] ZINC000417554402 380637155 /nfs/dbraw/zinc/63/71/55/380637155.db2.gz CJFJQIOOGDTVNG-UHFFFAOYSA-N -1 1 290.388 3.002 20 0 CGADMM Cc1cnc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000417559434 380637716 /nfs/dbraw/zinc/63/77/16/380637716.db2.gz IEYJCUSBOHLRCN-FZMZJTMJSA-N -1 1 290.388 3.003 20 0 CGADMM Cc1ccoc1CN[C@@H](C(=O)[O-])C(C1CCC1)C1CCC1 ZINC000417663381 380663584 /nfs/dbraw/zinc/66/35/84/380663584.db2.gz WLZNWJOOLZGOSR-MRXNPFEDSA-N -1 1 291.391 3.347 20 0 CGADMM CN(Cc1cccc(F)c1)C(=O)c1c(F)ccc([O-])c1F ZINC000355542462 380705114 /nfs/dbraw/zinc/70/51/14/380705114.db2.gz DWADWFSRWTWXSE-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM CC(C)c1cccc(N(C)C(=O)c2cncc([O-])c2)c1 ZINC000279301039 194375272 /nfs/dbraw/zinc/37/52/72/194375272.db2.gz ZHEQNGVHTAQYKB-UHFFFAOYSA-N -1 1 270.332 3.187 20 0 CGADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361398199 381731286 /nfs/dbraw/zinc/73/12/86/381731286.db2.gz QYMZAKHELPLGRQ-CHWSQXEVSA-N -1 1 285.347 3.013 20 0 CGADMM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000354698017 220887681 /nfs/dbraw/zinc/88/76/81/220887681.db2.gz PCCYRVOKUIKVQJ-SJKOYZFVSA-N -1 1 296.370 3.231 20 0 CGADMM O=C([O-])C[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000054300164 392091425 /nfs/dbraw/zinc/09/14/25/392091425.db2.gz ASZZJEZSAHPZHP-SNVBAGLBSA-N -1 1 285.746 3.166 20 0 CGADMM CCc1cccc(NC(=O)c2ccc(O)cc2[O-])c1CC ZINC000436731554 542658867 /nfs/dbraw/zinc/65/88/67/542658867.db2.gz MDQATITWJQLFHN-UHFFFAOYSA-N -1 1 285.343 3.475 20 0 CGADMM Cc1conc1[N-]C(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000123830587 392431019 /nfs/dbraw/zinc/43/10/19/392431019.db2.gz VUSQRPFBDPBQJF-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM CCCc1cc(=O)[n-]c(SCC2CC(OCC)C2)n1 ZINC000505448487 392666914 /nfs/dbraw/zinc/66/69/14/392666914.db2.gz AOAJVSZXZXSUAZ-UHFFFAOYSA-N -1 1 282.409 3.042 20 0 CGADMM C[C@H](CC(F)(F)F)C(=O)Nc1ccc([O-])c(F)c1F ZINC000457880084 392791648 /nfs/dbraw/zinc/79/16/48/392791648.db2.gz QKJLYYPQPXNYLL-RXMQYKEDSA-N -1 1 283.196 3.197 20 0 CGADMM CC[C@H](C)[C@@H](C(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000647816811 392808438 /nfs/dbraw/zinc/80/84/38/392808438.db2.gz WLYHGFUTSYXFQY-GXFFZTMASA-N -1 1 287.363 3.192 20 0 CGADMM CC1(C)CCCC[C@@H]1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000194017666 392894712 /nfs/dbraw/zinc/89/47/12/392894712.db2.gz XMTOZGQRXQJYMG-SNVBAGLBSA-N -1 1 288.351 3.220 20 0 CGADMM COc1cc(NC(=O)c2ccc(O)cc2[O-])ccc1Cl ZINC000194886059 392943308 /nfs/dbraw/zinc/94/33/08/392943308.db2.gz BFNGJJWJFVJQQX-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM CCc1cc(=O)[n-]c(SCCCc2ccc(C)cc2)n1 ZINC000195072875 392956039 /nfs/dbraw/zinc/95/60/39/392956039.db2.gz CNLDKDOAAORPMY-UHFFFAOYSA-N -1 1 288.416 3.366 20 0 CGADMM CCc1ccc(CSc2nc(CC)cc(=O)[n-]2)cc1 ZINC000195060729 392954061 /nfs/dbraw/zinc/95/40/61/392954061.db2.gz KNJDWKMZCQUSOZ-UHFFFAOYSA-N -1 1 274.389 3.187 20 0 CGADMM CCn1ccc(CN(C)Cc2cccc([O-])c2Cl)c1 ZINC000646173353 393237302 /nfs/dbraw/zinc/23/73/02/393237302.db2.gz INEUSLVRDMEFCC-UHFFFAOYSA-N -1 1 278.783 3.499 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2ccc([O-])c(F)c2)CC12CCC2 ZINC000646547711 393298435 /nfs/dbraw/zinc/29/84/35/393298435.db2.gz MPZMKIRQAMAOFW-AWEZNQCLSA-N -1 1 277.339 3.182 20 0 CGADMM CCCn1c(C(=O)Nc2c(C)[n-][nH]c2=O)cc2ccccc21 ZINC000646409281 393280367 /nfs/dbraw/zinc/28/03/67/393280367.db2.gz NVECQPQRQHRVJU-UHFFFAOYSA-N -1 1 298.346 3.041 20 0 CGADMM CC(C)[C@@H]1N(C(=O)c2ccc([O-])cc2F)CC12CC=CC2 ZINC000649140117 393356603 /nfs/dbraw/zinc/35/66/03/393356603.db2.gz OOKPCAKRMUGRQF-HNNXBMFYSA-N -1 1 289.350 3.348 20 0 CGADMM C[C@H](CC(C)(C)C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000356325495 393420643 /nfs/dbraw/zinc/42/06/43/393420643.db2.gz TWQDHAGTETYASR-SECBINFHSA-N -1 1 276.340 3.076 20 0 CGADMM CCC(C)(C)CCSc1nc(C(=O)OC)c[n-]1 ZINC000432667986 393625997 /nfs/dbraw/zinc/62/59/97/393625997.db2.gz IEQRJYAFVGSCBR-UHFFFAOYSA-N -1 1 256.371 3.115 20 0 CGADMM Cc1ccncc1/C=C\C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000492528178 393749725 /nfs/dbraw/zinc/74/97/25/393749725.db2.gz CUEIHHXQOGRQIZ-DJWKRKHSSA-N -1 1 288.734 3.401 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000667448068 542869330 /nfs/dbraw/zinc/86/93/30/542869330.db2.gz PGTWMJSBDNMZLT-GFCCVEGCSA-N -1 1 284.359 3.203 20 0 CGADMM CC(=O)c1[n-]c(=N[C@@H]2CCOc3ccccc32)sc1C ZINC000450225570 393992773 /nfs/dbraw/zinc/99/27/73/393992773.db2.gz ZCHRUMDHUXKGIU-GFCCVEGCSA-N -1 1 288.372 3.012 20 0 CGADMM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000457307808 394343786 /nfs/dbraw/zinc/34/37/86/394343786.db2.gz WAEGOAUZWFZAQF-IAQYHMDHSA-N -1 1 283.318 3.225 20 0 CGADMM O=C([O-])CN(Cc1c(Cl)cccc1Cl)CC1CC1 ZINC000036886081 397607018 /nfs/dbraw/zinc/60/70/18/397607018.db2.gz QWBWMBBGOMBEIS-UHFFFAOYSA-N -1 1 288.174 3.290 20 0 CGADMM CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000650718800 397901593 /nfs/dbraw/zinc/90/15/93/397901593.db2.gz ZSKWXHYHHMOHMC-ZYHUDNBSSA-N -1 1 265.328 3.087 20 0 CGADMM O=C(CCc1ccccc1F)Nc1ccc(F)cc1[O-] ZINC000676055174 543379938 /nfs/dbraw/zinc/37/99/38/543379938.db2.gz DIBBGUFKQZADML-UHFFFAOYSA-N -1 1 277.270 3.242 20 0 CGADMM CCc1cc(=O)[n-]c(SCCCC2CCOCC2)n1 ZINC000556095251 289370651 /nfs/dbraw/zinc/37/06/51/289370651.db2.gz PQWHHPPEXJSVBN-UHFFFAOYSA-N -1 1 282.409 3.044 20 0 CGADMM Cc1occc1CN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000048769712 286910169 /nfs/dbraw/zinc/91/01/69/286910169.db2.gz MLELFNICONIDMM-UHFFFAOYSA-N -1 1 279.723 3.219 20 0 CGADMM O=C(NCC(C1CC1)C1CC1)c1ccc(Cl)cc1[O-] ZINC000088459105 287087071 /nfs/dbraw/zinc/08/70/71/287087071.db2.gz QYBOZQWVHUHJBP-UHFFFAOYSA-N -1 1 279.767 3.212 20 0 CGADMM Cc1cccnc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000085204515 165178822 /nfs/dbraw/zinc/17/88/22/165178822.db2.gz OIMUODZAWJDGMY-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM CC(C)(C)c1csc(CN2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000094969366 287123464 /nfs/dbraw/zinc/12/34/64/287123464.db2.gz AZIJFEQJNDMVSC-LLVKDONJSA-N -1 1 296.436 3.127 20 0 CGADMM C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])C[C@H](C)C1 ZINC000119330136 287168292 /nfs/dbraw/zinc/16/82/92/287168292.db2.gz KZJHVTNWNWKJQW-WDEREUQCSA-N -1 1 265.328 3.040 20 0 CGADMM CN(C(=O)c1cc2ccccc2cc1[O-])c1nccs1 ZINC000123818982 287225818 /nfs/dbraw/zinc/22/58/18/287225818.db2.gz SZZNSCRYEXSFAA-UHFFFAOYSA-N -1 1 284.340 3.279 20 0 CGADMM CCc1ccc(N(CC)C(=O)c2cncc([O-])c2)cc1 ZINC000284489386 196067981 /nfs/dbraw/zinc/06/79/81/196067981.db2.gz LHFRSPKULSJVEY-UHFFFAOYSA-N -1 1 270.332 3.016 20 0 CGADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccccc1N ZINC000019263653 170763535 /nfs/dbraw/zinc/76/35/35/170763535.db2.gz PZKIEGBNLSEXBD-UHFFFAOYSA-N -1 1 290.388 3.193 20 0 CGADMM C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000019837061 287261458 /nfs/dbraw/zinc/26/14/58/287261458.db2.gz AUSVBMGWEYSUSF-SECBINFHSA-N -1 1 253.729 3.060 20 0 CGADMM CCC[C@H](C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000035239000 172077131 /nfs/dbraw/zinc/07/71/31/172077131.db2.gz OPGZOEZPGASBDC-VIFPVBQESA-N -1 1 255.745 3.306 20 0 CGADMM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000037360297 173150186 /nfs/dbraw/zinc/15/01/86/173150186.db2.gz AOZSWXUWYVEHAW-LLVKDONJSA-N -1 1 274.147 3.215 20 0 CGADMM Cc1cccc(C)c1OCC(=O)Nc1c([O-])cccc1F ZINC000078807057 177391192 /nfs/dbraw/zinc/39/11/92/177391192.db2.gz DJZXQKVHRLLGJD-UHFFFAOYSA-N -1 1 289.306 3.166 20 0 CGADMM CC[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])[C@@H](CC)CO1 ZINC000403954682 416550761 /nfs/dbraw/zinc/55/07/61/416550761.db2.gz ZHWWUOPBZPUYES-RYUDHWBXSA-N -1 1 297.782 3.075 20 0 CGADMM CCC[C@@H](C)c1cc(NC(=O)c2ccc([O-])cc2F)n[nH]1 ZINC000679173646 543597722 /nfs/dbraw/zinc/59/77/22/543597722.db2.gz UFXLDMPIFHICOL-SECBINFHSA-N -1 1 291.326 3.410 20 0 CGADMM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2c([O-])cccc2F)C1(C)C ZINC000680594207 543719034 /nfs/dbraw/zinc/71/90/34/543719034.db2.gz IZHIZGMIUPBCPU-MNOVXSKESA-N -1 1 293.338 3.111 20 0 CGADMM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1F ZINC000681016258 543756463 /nfs/dbraw/zinc/75/64/63/543756463.db2.gz ZRMGXWVQXRQONZ-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CCOc1cc(C)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681018584 543757322 /nfs/dbraw/zinc/75/73/22/543757322.db2.gz LZJXRMZYPUTVQG-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM O=C(NCc1cc2ccccc2o1)c1ccc([O-])c(F)c1 ZINC000681019942 543757700 /nfs/dbraw/zinc/75/77/00/543757700.db2.gz PEFVHBZHBDPGCV-UHFFFAOYSA-N -1 1 285.274 3.208 20 0 CGADMM CCc1nc(NC(=O)c2ccc([O-])c(F)c2)sc1C ZINC000681018840 543758049 /nfs/dbraw/zinc/75/80/49/543758049.db2.gz FZEHJQLPGVBREV-UHFFFAOYSA-N -1 1 280.324 3.111 20 0 CGADMM Cc1cccc(N(C)C(=O)c2ccc([O-])c(F)c2)c1 ZINC000681039476 543759858 /nfs/dbraw/zinc/75/98/58/543759858.db2.gz WUMMKXDWBRXZEQ-UHFFFAOYSA-N -1 1 259.280 3.116 20 0 CGADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc([O-])c(F)c1 ZINC000681047235 543760745 /nfs/dbraw/zinc/76/07/45/543760745.db2.gz YDHWSBKYUOQCPX-VXGBXAGGSA-N -1 1 279.355 3.478 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)[C@H]2CCCC[C@H]12 ZINC000681066959 543762861 /nfs/dbraw/zinc/76/28/61/543762861.db2.gz BSBXTKXSZUEVIU-QKCSRTOESA-N -1 1 277.339 3.182 20 0 CGADMM COc1cc(C)c(NC(=O)c2ccc([O-])c(F)c2)cc1C ZINC000683518100 543919861 /nfs/dbraw/zinc/91/98/61/543919861.db2.gz LQMRJMZQWYLCLP-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM C[C@H](c1ccco1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000683592707 543927651 /nfs/dbraw/zinc/92/76/51/543927651.db2.gz NGALWGDDXNAIMF-MRVPVSSYSA-N -1 1 274.251 3.326 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc([O-])c(F)c2)[C@H]1C ZINC000684615673 544020268 /nfs/dbraw/zinc/02/02/68/544020268.db2.gz AAFABEXMFQIUNO-NTZNESFSSA-N -1 1 279.355 3.333 20 0 CGADMM CN(Cc1ccsc1)C(=O)c1c(F)ccc([O-])c1F ZINC000685410653 544064943 /nfs/dbraw/zinc/06/49/43/544064943.db2.gz ZGRSLKCBCUSTGR-UHFFFAOYSA-N -1 1 283.299 3.004 20 0 CGADMM COc1ccccc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000685575121 544086408 /nfs/dbraw/zinc/08/64/08/544086408.db2.gz DNISSMOCJFXNKP-UHFFFAOYSA-N -1 1 298.314 3.421 20 0 CGADMM O=C(Nc1ccc2ncccc2c1)c1cc(F)ccc1[O-] ZINC000132888997 287412902 /nfs/dbraw/zinc/41/29/02/287412902.db2.gz AERPVCKBZIHZNG-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CCN(Cc1c(Cl)cccc1C(=O)[O-])[C@@H]1CCCOC1 ZINC000652506815 418977122 /nfs/dbraw/zinc/97/71/22/418977122.db2.gz KSHIHHNGXRJLJN-LLVKDONJSA-N -1 1 297.782 3.039 20 0 CGADMM CC[C@@H](CC(F)F)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659790665 418991381 /nfs/dbraw/zinc/99/13/81/418991381.db2.gz JPPRZAOKPDVGDP-JTQLQIEISA-N -1 1 283.318 3.382 20 0 CGADMM CSc1ccc([O-])c(-c2nc(C3CCC3)no2)c1 ZINC000664752977 419000159 /nfs/dbraw/zinc/00/01/59/419000159.db2.gz DVSGFLXRHKUGHO-UHFFFAOYSA-N -1 1 262.334 3.432 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CN(CC(=O)[O-])CC(C)(C)C)o1 ZINC000665349921 419114784 /nfs/dbraw/zinc/11/47/84/419114784.db2.gz ZBMGKKBVXDBNIG-AAEUAGOBSA-N -1 1 279.380 3.336 20 0 CGADMM CC(C)N(CC1CC1)C(=O)c1ncc2ccccc2c1[O-] ZINC000666306320 419206468 /nfs/dbraw/zinc/20/64/68/419206468.db2.gz SWHSRVMKXLYRHV-UHFFFAOYSA-N -1 1 284.359 3.201 20 0 CGADMM Cc1[nH]nc2ccc(-c3c(C(=O)[O-])cnn3C(C)(C)C)cc12 ZINC000657203447 419230657 /nfs/dbraw/zinc/23/06/57/419230657.db2.gz YXZYBLNARLNNRA-UHFFFAOYSA-N -1 1 298.346 3.188 20 0 CGADMM O=C(Nc1ccccc1OCC(F)F)c1ccccc1[O-] ZINC000151865760 287524843 /nfs/dbraw/zinc/52/48/43/287524843.db2.gz RKEHRWRRMIHERM-UHFFFAOYSA-N -1 1 293.269 3.288 20 0 CGADMM Cc1cnc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)cn1 ZINC000663219740 419521321 /nfs/dbraw/zinc/52/13/21/419521321.db2.gz RPTAEJKQGYTEEH-UHFFFAOYSA-N -1 1 280.331 3.224 20 0 CGADMM C[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000044490244 270035755 /nfs/dbraw/zinc/03/57/55/270035755.db2.gz ROMFMLJIBPEZNL-VIFPVBQESA-N -1 1 298.180 3.027 20 0 CGADMM CC1(CNC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000223644217 270086514 /nfs/dbraw/zinc/08/65/14/270086514.db2.gz BFYZFZJTQKSMLA-UHFFFAOYSA-N -1 1 255.317 3.075 20 0 CGADMM CS[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000227355470 270087187 /nfs/dbraw/zinc/08/71/87/270087187.db2.gz OUBWDWWGTXZJHN-MNOVXSKESA-N -1 1 299.823 3.450 20 0 CGADMM CC[C@H](C)CON=c1nc(-c2ccccc2C)[n-]s1 ZINC000528027096 270152253 /nfs/dbraw/zinc/15/22/53/270152253.db2.gz SAGJRXPWNUVOPU-JTQLQIEISA-N -1 1 277.393 3.325 20 0 CGADMM C[C@@H]1[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)[C@H]1C1CC1 ZINC000528172510 270156312 /nfs/dbraw/zinc/15/63/12/270156312.db2.gz XWHPAFRAGQWTHR-HAGUPOPPSA-N -1 1 274.295 3.341 20 0 CGADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335218370 276010186 /nfs/dbraw/zinc/01/01/86/276010186.db2.gz RZRJZZLUOQLIJH-RMLUDKJBSA-N -1 1 269.291 3.291 20 0 CGADMM C[C@@H]1c2ccccc2CCN1Cc1cc(C(=O)[O-])co1 ZINC000516932420 278107606 /nfs/dbraw/zinc/10/76/06/278107606.db2.gz NOCJKEOMSXRAKT-LLVKDONJSA-N -1 1 271.316 3.097 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@@H](C)[C@H](C)O1 ZINC000438427855 288042211 /nfs/dbraw/zinc/04/22/11/288042211.db2.gz QEXDRQIMPQXRBM-AGIUHOORSA-N -1 1 299.370 3.183 20 0 CGADMM CC1=C[C@H](C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000437001401 278506970 /nfs/dbraw/zinc/50/69/70/278506970.db2.gz PCIJXLCXCWIODM-VIFPVBQESA-N -1 1 299.292 3.449 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C1CCC(F)(F)CC1 ZINC000530005433 288281430 /nfs/dbraw/zinc/28/14/30/288281430.db2.gz KIUMSZZVRLROEZ-UHFFFAOYSA-N -1 1 273.254 3.295 20 0 CGADMM C[C@H]1CC(F)(F)CCN1Cc1ccc(C(=O)[O-])cc1F ZINC000530171920 288292094 /nfs/dbraw/zinc/29/20/94/288292094.db2.gz DNTAEXOTAZNCTF-VIFPVBQESA-N -1 1 287.281 3.144 20 0 CGADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ncc(C(C)(C)C)o1 ZINC000530176578 288294332 /nfs/dbraw/zinc/29/43/32/288294332.db2.gz UMIXQAIPXZRXJE-ZSBIGDGJSA-N -1 1 294.395 3.046 20 0 CGADMM Cc1ccc([C@H]2CCN(C(=O)c3ncc(C)cc3[O-])C2)cc1 ZINC000548307169 288999382 /nfs/dbraw/zinc/99/93/82/288999382.db2.gz LQYBALFYEDYYTL-HNNXBMFYSA-N -1 1 296.370 3.034 20 0 CGADMM C[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000555578796 289350268 /nfs/dbraw/zinc/35/02/68/289350268.db2.gz ZAATYPXMRCUSII-JTQLQIEISA-N -1 1 291.297 3.204 20 0 CGADMM CCN(Cc1c(Cl)cccc1C(=O)[O-])C[C@H]1CCCO1 ZINC000567117010 322151118 /nfs/dbraw/zinc/15/11/18/322151118.db2.gz SUVBLRUXVGXKFS-LLVKDONJSA-N -1 1 297.782 3.039 20 0 CGADMM CCCN(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000571453646 322299175 /nfs/dbraw/zinc/29/91/75/322299175.db2.gz WYEHNJRYOHABMN-UHFFFAOYSA-N -1 1 290.388 3.350 20 0 CGADMM Cc1oc(CN2Cc3ccccc3C[C@@H]2C)cc1C(=O)[O-] ZINC000572889425 322360071 /nfs/dbraw/zinc/36/00/71/322360071.db2.gz NFBQMBDFIWEELG-NSHDSACASA-N -1 1 285.343 3.233 20 0 CGADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(C)n(C(C)C)n1 ZINC000573328798 322382879 /nfs/dbraw/zinc/38/28/79/322382879.db2.gz ZEKDSOOYMXBJJM-LBPRGKRZSA-N -1 1 287.429 3.093 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc(C(C)(C)C)cs1 ZINC000397098181 329327738 /nfs/dbraw/zinc/32/77/38/329327738.db2.gz NDUDAQHRSVYBBX-GHMZBOCLSA-N -1 1 296.436 3.126 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(CC2CCCC2)no1 ZINC000393607912 329087985 /nfs/dbraw/zinc/08/79/85/329087985.db2.gz ALKOYOWNPZDGBK-UHFFFAOYSA-N -1 1 262.284 3.314 20 0 CGADMM Cc1cnc(SCCOC2CCCCCC2)[n-]c1=O ZINC000576361474 335194728 /nfs/dbraw/zinc/19/47/28/335194728.db2.gz RCQYTBUDABDMOQ-UHFFFAOYSA-N -1 1 282.409 3.322 20 0 CGADMM CC(C)(C)[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000580678522 335320967 /nfs/dbraw/zinc/32/09/67/335320967.db2.gz JTJLABZIMKDDSL-SECBINFHSA-N -1 1 283.318 3.179 20 0 CGADMM CC(C)CCC1CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000177382951 335371325 /nfs/dbraw/zinc/37/13/25/335371325.db2.gz YAFJLTYWGTUWGN-UHFFFAOYSA-N -1 1 276.380 3.076 20 0 CGADMM C[N@@H+](Cc1cccc(C(=O)[O-])c1Cl)C1CCC1 ZINC000381664821 336070063 /nfs/dbraw/zinc/07/00/63/336070063.db2.gz KHJUJGNKTCCISQ-UHFFFAOYSA-N -1 1 253.729 3.023 20 0 CGADMM C[C@H]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436852361 533749495 /nfs/dbraw/zinc/74/94/95/533749495.db2.gz PGXVSVXYNDREJC-ONGXEEELSA-N -1 1 267.756 3.306 20 0 CGADMM [O-]c1ccc(-c2noc(-c3occ4c3CCC4)n2)c(F)c1 ZINC000436872213 534448848 /nfs/dbraw/zinc/44/88/48/534448848.db2.gz JPJGXKWWRIMSJF-UHFFFAOYSA-N -1 1 286.262 3.330 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1C[C@@H]2CCCC[C@H]2C1 ZINC000176091005 534659848 /nfs/dbraw/zinc/65/98/48/534659848.db2.gz XXOYEGLVCMXJTB-QWRGUYRKSA-N -1 1 279.767 3.308 20 0 CGADMM Cc1ccccc1C1(CNC(=O)c2ccc([O-])cc2F)CC1 ZINC000154852219 534802302 /nfs/dbraw/zinc/80/23/02/534802302.db2.gz BTPWBMQDHHJDBN-UHFFFAOYSA-N -1 1 299.345 3.301 20 0 CGADMM O=C(Nc1ccc(Cl)cc1F)C(=O)c1ccc([O-])cc1 ZINC000436528515 534828400 /nfs/dbraw/zinc/82/84/00/534828400.db2.gz LUSCZBFLEQQQFY-UHFFFAOYSA-N -1 1 293.681 3.006 20 0 CGADMM C[C@H](c1ccc(F)c(Cl)c1)N1CCC[C@H](C(=O)[O-])C1 ZINC000086728838 526055308 /nfs/dbraw/zinc/05/53/08/526055308.db2.gz OWFSWHKJCXGAOK-KOLCDFICSA-N -1 1 285.746 3.337 20 0 CGADMM CC(C)(CC(F)F)C(=O)Nc1ccc(F)cc1[O-] ZINC000413650847 526979129 /nfs/dbraw/zinc/97/91/29/526979129.db2.gz WBWMVUUUMDYKFL-UHFFFAOYSA-N -1 1 261.243 3.151 20 0 CGADMM CC(C)(CF)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436923879 527065623 /nfs/dbraw/zinc/06/56/23/527065623.db2.gz VHDCWACVSICLPY-UHFFFAOYSA-N -1 1 261.296 3.023 20 0 CGADMM O=C(NCCCC(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000097989211 527636071 /nfs/dbraw/zinc/63/60/71/527636071.db2.gz NVOKXPJSISCJOW-UHFFFAOYSA-N -1 1 281.661 3.118 20 0 CGADMM CC(C)Cc1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC000426713698 528649576 /nfs/dbraw/zinc/64/95/76/528649576.db2.gz JFMAHCMEAMPSRL-UHFFFAOYSA-N -1 1 287.359 3.466 20 0 CGADMM CCCc1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)co1 ZINC000436880705 528680211 /nfs/dbraw/zinc/68/02/11/528680211.db2.gz SALJYVUBWHTQTJ-UHFFFAOYSA-N -1 1 289.266 3.189 20 0 CGADMM CC[C@H](C)[C@H](OC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000356522531 529266051 /nfs/dbraw/zinc/26/60/51/529266051.db2.gz VHVXGDVZUFLBNV-UFBFGSQYSA-N -1 1 271.744 3.045 20 0 CGADMM CCC[C@H](C(=O)[O-])N(C)Cc1c(F)cccc1Cl ZINC000515855267 535584807 /nfs/dbraw/zinc/58/48/07/535584807.db2.gz BVUMSAAPTGAVOS-GFCCVEGCSA-N -1 1 273.735 3.164 20 0 CGADMM O=C(OCCCc1ccccc1)c1c([O-])cc(F)cc1F ZINC000749279791 571700027 /nfs/dbraw/zinc/70/00/27/571700027.db2.gz PQNZEKBRAFIJJW-UHFFFAOYSA-N -1 1 292.281 3.460 20 0 CGADMM CC[C@@]1(C)COCCN1Cc1cccc([O-])c1Cl ZINC000352960183 571824418 /nfs/dbraw/zinc/82/44/18/571824418.db2.gz CPBXCBKKOYKRLI-AWEZNQCLSA-N -1 1 269.772 3.047 20 0 CGADMM O=C([N-][C@H]1CCCC[C@H]1c1ccccc1)C(F)(F)F ZINC000729341335 571899990 /nfs/dbraw/zinc/89/99/90/571899990.db2.gz MBXANVSVMCSNQN-RYUDHWBXSA-N -1 1 271.282 3.391 20 0 CGADMM CC[C@H](c1ccc(F)cc1F)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739278988 572407456 /nfs/dbraw/zinc/40/74/56/572407456.db2.gz PHUNYLQAJXZRTH-QMTHXVAHSA-N -1 1 298.333 3.005 20 0 CGADMM CC(C)c1ocnc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000731876608 572432431 /nfs/dbraw/zinc/43/24/31/572432431.db2.gz GCCDTCDWSWCUAF-UHFFFAOYSA-N -1 1 294.380 3.199 20 0 CGADMM CC[C@H](c1ccc(Cl)cc1)N1CC[C@@H](NC(=O)[O-])C1 ZINC000739278889 572540432 /nfs/dbraw/zinc/54/04/32/572540432.db2.gz ONMAQEUGUDUDCZ-CHWSQXEVSA-N -1 1 282.771 3.133 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2=C(C)CCC2)c1 ZINC000747161067 572568214 /nfs/dbraw/zinc/56/82/14/572568214.db2.gz MUKNLSZLQHHJHG-UHFFFAOYSA-N -1 1 288.343 3.181 20 0 CGADMM CCCC[C@@H]1CCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000736441604 572792388 /nfs/dbraw/zinc/79/23/88/572792388.db2.gz SSZDLRAENNVHGU-NEPJUHHUSA-N -1 1 286.383 3.033 20 0 CGADMM CCCC[C@@H]1CCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000736441604 572792393 /nfs/dbraw/zinc/79/23/93/572792393.db2.gz SSZDLRAENNVHGU-NEPJUHHUSA-N -1 1 286.383 3.033 20 0 CGADMM O=C(Nc1cc(Cl)[nH]n1)c1cc2ccccc2cc1[O-] ZINC000749552510 573017978 /nfs/dbraw/zinc/01/79/78/573017978.db2.gz CWEKSPCGRSJXAQ-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1cccnc1Cl ZINC000818051799 597244486 /nfs/dbraw/zinc/24/44/86/597244486.db2.gz AIKVZNBLXJHEPQ-JTQLQIEISA-N -1 1 290.750 3.284 20 0 CGADMM CCCc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000821143787 607308151 /nfs/dbraw/zinc/30/81/51/607308151.db2.gz XZINOLPMPQKMMS-UHFFFAOYSA-N -1 1 299.403 3.493 20 0 CGADMM O=C([O-])C1CCC(N[C@@H](Cc2ccccc2)C(F)F)CC1 ZINC000821494341 598164114 /nfs/dbraw/zinc/16/41/14/598164114.db2.gz BZOOGPIICRQPTI-RUXDESIVSA-N -1 1 297.345 3.096 20 0 CGADMM Cc1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1Cl ZINC000826299359 608452166 /nfs/dbraw/zinc/45/21/66/608452166.db2.gz AWYVZVTXCYRUPT-UHFFFAOYSA-N -1 1 289.726 3.034 20 0 CGADMM CCc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000830276573 600752735 /nfs/dbraw/zinc/75/27/35/600752735.db2.gz IVRXDIVMWXJACA-INIZCTEOSA-N -1 1 287.334 3.304 20 0 CGADMM C[C@H]1CN(Cc2cc(C(=O)[O-])co2)[C@@H]1c1ccccc1 ZINC000828455664 601178993 /nfs/dbraw/zinc/17/89/93/601178993.db2.gz DVCVUHIOUFPTFB-NHYWBVRUSA-N -1 1 271.316 3.171 20 0 CGADMM Cc1cc(CN2C[C@H](C)[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC000832882521 601179529 /nfs/dbraw/zinc/17/95/29/601179529.db2.gz JQPZCQAGXBTNHA-SWLSCSKDSA-N -1 1 285.343 3.479 20 0 CGADMM C[C@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824753089 607531861 /nfs/dbraw/zinc/53/18/61/607531861.db2.gz CAENYIHMEHNLGC-NSHDSACASA-N -1 1 297.387 3.256 20 0 CGADMM C[C@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824753089 607531863 /nfs/dbraw/zinc/53/18/63/607531863.db2.gz CAENYIHMEHNLGC-NSHDSACASA-N -1 1 297.387 3.256 20 0 CGADMM CC[C@@](NC/C(Cl)=C/Cl)(C(=O)[O-])c1ccccc1 ZINC000828989077 602039901 /nfs/dbraw/zinc/03/99/01/602039901.db2.gz PCEREGICOAGXIY-ZWXCPPHNSA-N -1 1 288.174 3.285 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(F)cc3Cl)c(=O)c21 ZINC000899362591 620669134 /nfs/dbraw/zinc/66/91/34/620669134.db2.gz XXQNRFVPNNVENN-KRTXAFLBSA-N -1 1 266.703 3.228 20 0 CGADMM O=C([O-])N1CC[C@H](CN2CC[C@H]2c2ccc(Cl)cc2)C1 ZINC000831878774 604100155 /nfs/dbraw/zinc/10/01/55/604100155.db2.gz NNAIUCMIBNFMNY-RISCZKNCSA-N -1 1 294.782 3.087 20 0 CGADMM CN(Cc1ccc(-c2ccc(F)cc2)o1)C(C)(C)C(=O)[O-] ZINC000833694478 604627820 /nfs/dbraw/zinc/62/78/20/604627820.db2.gz TUPRCYUMWSMBFA-UHFFFAOYSA-N -1 1 291.322 3.381 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CN(CC(=O)[O-])C2CCCC2)o1 ZINC000086749089 604662155 /nfs/dbraw/zinc/66/21/55/604662155.db2.gz CJJCKRABWXIYOI-BXUZGUMPSA-N -1 1 277.364 3.232 20 0 CGADMM Cc1cc([C@@H](C)Sc2nc(C3CC3)n[nH]2)oc1C(=O)[O-] ZINC000832875650 604710744 /nfs/dbraw/zinc/71/07/44/604710744.db2.gz VOKNJDRRDLGOJQ-SSDOTTSWSA-N -1 1 293.348 3.135 20 0 CGADMM Cc1cc([C@@H](C)Sc2n[nH]c(C3CC3)n2)oc1C(=O)[O-] ZINC000832875650 604710749 /nfs/dbraw/zinc/71/07/49/604710749.db2.gz VOKNJDRRDLGOJQ-SSDOTTSWSA-N -1 1 293.348 3.135 20 0 CGADMM CCc1cnccc1[C@H](C)N[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000833673852 605270792 /nfs/dbraw/zinc/27/07/92/605270792.db2.gz OHKCPCILLLSFCH-WDEREUQCSA-N -1 1 288.347 3.347 20 0 CGADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])o1 ZINC000833604038 605703793 /nfs/dbraw/zinc/70/37/93/605703793.db2.gz CLQUTGFCDLAIMN-BDAKNGLRSA-N -1 1 291.269 3.141 20 0 CGADMM Cc1ccc(CSc2cccc(-c3nnn[n-]3)n2)cc1C ZINC000826288453 607902410 /nfs/dbraw/zinc/90/24/10/607902410.db2.gz HXQCZLHOIGJKTE-UHFFFAOYSA-N -1 1 297.387 3.171 20 0 CGADMM Cc1ccc(CSc2cccc(-c3nn[n-]n3)n2)cc1C ZINC000826288453 607902411 /nfs/dbraw/zinc/90/24/11/607902411.db2.gz HXQCZLHOIGJKTE-UHFFFAOYSA-N -1 1 297.387 3.171 20 0 CGADMM Cc1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1Cl ZINC000826299359 608452165 /nfs/dbraw/zinc/45/21/65/608452165.db2.gz AWYVZVTXCYRUPT-UHFFFAOYSA-N -1 1 289.726 3.034 20 0 CGADMM Cc1sc([C@@H](C)NCc2ccccc2)nc1C(=O)[O-] ZINC000900075241 620756036 /nfs/dbraw/zinc/75/60/36/620756036.db2.gz ONDABYQLSZUHQB-SECBINFHSA-N -1 1 276.361 3.001 20 0 CGADMM CCCC[C@H](CC)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900111452 620764970 /nfs/dbraw/zinc/76/49/70/620764970.db2.gz WDEMJMYUTHJZHG-NSHDSACASA-N -1 1 291.395 3.006 20 0 CGADMM CCCCN(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@H](C)CC ZINC000900631530 620804572 /nfs/dbraw/zinc/80/45/72/620804572.db2.gz MMWHETNGJYGDNS-LLVKDONJSA-N -1 1 291.395 3.100 20 0 CGADMM CC[C@H](OC1CCCC1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188368306 619084738 /nfs/dbraw/zinc/08/47/38/619084738.db2.gz OVFYENYOGUWDTA-NSHDSACASA-N -1 1 298.770 3.117 20 0 CGADMM [O-]c1ccc(C=NNc2nc3ccccc3[nH]2)cc1Cl ZINC000254626369 619221598 /nfs/dbraw/zinc/22/15/98/619221598.db2.gz GLKUUHZQACXEFC-UHFFFAOYSA-N -1 1 286.722 3.368 20 0 CGADMM O=C(N[C@H]1C[C@H]1c1ccccc1)c1c([O-])cccc1Cl ZINC000049094901 619695241 /nfs/dbraw/zinc/69/52/41/619695241.db2.gz WFGAVYJOZMBMJD-AAEUAGOBSA-N -1 1 287.746 3.332 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H](O)C3CCCCC3)n2)c(F)c1 ZINC000896220713 619966245 /nfs/dbraw/zinc/96/62/45/619966245.db2.gz IRHWVSDTQNTDGD-ZDUSSCGKSA-N -1 1 292.310 3.195 20 0 CGADMM CCc1[n-]n(-c2ccc(Cl)cc2C)c(=O)c1F ZINC000871943765 620270688 /nfs/dbraw/zinc/27/06/88/620270688.db2.gz AWYIKKOKEFJQNC-NSHDSACASA-N -1 1 254.692 3.099 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(F)cc(Cl)c1 ZINC000263484792 620321941 /nfs/dbraw/zinc/32/19/41/620321941.db2.gz HBPJCUNYGSOLCP-GXSJLCMTSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1cc(=O)[n-]c(NN=Cc2ccc(Cl)c(Cl)c2)n1 ZINC000008619249 620330667 /nfs/dbraw/zinc/33/06/67/620330667.db2.gz HHSKQLLJGGYGMS-UHFFFAOYSA-N -1 1 297.145 3.243 20 0 CGADMM C/C(=C(/F)C(=O)Nc1c([O-])cccc1F)C1CC1 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C[C@@H]1C[C@@H](NCC(F)(F)C(C)(C)C)CC[C@H]1C(=O)[O-] ZINC000902469948 621340814 /nfs/dbraw/zinc/34/08/14/621340814.db2.gz CLQOVEZNLIARTM-OUAUKWLOSA-N -1 1 277.355 3.147 20 0 CGADMM CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(C(=O)[O-])no1 ZINC000902517675 621359510 /nfs/dbraw/zinc/35/95/10/621359510.db2.gz WSKRBCUXROEXQT-HNNXBMFYSA-N -1 1 288.347 3.202 20 0 CGADMM C[C@H]1CC[C@H](C)N1Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903898980 621829821 /nfs/dbraw/zinc/82/98/21/621829821.db2.gz TXSVMDVZLLRDJO-YUMQZZPRSA-N -1 1 291.269 3.369 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)C1=CCCC1 ZINC000908709803 622369289 /nfs/dbraw/zinc/36/92/89/622369289.db2.gz UIUNTZLUTNMJBQ-UHFFFAOYSA-N -1 1 282.137 3.204 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CC2CCC1CC2 ZINC000909986811 622443073 /nfs/dbraw/zinc/44/30/73/622443073.db2.gz CBCWFQQAAKEUFQ-UDNWOFFPSA-N -1 1 281.302 3.435 20 0 CGADMM C[C@@H]1CCC[C@]1(C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986963 622443606 /nfs/dbraw/zinc/44/36/06/622443606.db2.gz 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CCC(C)(C)NC(=S)NCc1ccc([O-])c(Cl)c1 ZINC000871684128 633823168 /nfs/dbraw/zinc/82/31/68/633823168.db2.gz PNQAJBMSRRCFDX-UHFFFAOYSA-N -1 1 286.828 3.198 20 0 CGADMM COc1ccc(Cn2[n-]c3c(c2=O)CCC(C)(C)C3)cc1 ZINC000871949210 633924127 /nfs/dbraw/zinc/92/41/27/633924127.db2.gz QOOIIIUVIZURJP-CQSZACIVSA-N -1 1 286.375 3.220 20 0 CGADMM CC(C)c1c(Cl)ncnc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000871957337 633927200 /nfs/dbraw/zinc/92/72/00/633927200.db2.gz RQJLRQPKWOLHHO-LDYMZIIASA-N -1 1 292.770 3.002 20 0 CGADMM CCCONC(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000831683715 633992133 /nfs/dbraw/zinc/99/21/33/633992133.db2.gz ZMTQILIDXQSWRT-UHFFFAOYSA-N -1 1 298.393 3.038 20 0 CGADMM CCC[C@@H]1C[C@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872915413 634220937 /nfs/dbraw/zinc/22/09/37/634220937.db2.gz GCBRSAQQNGGXRC-ZYHUDNBSSA-N -1 1 282.771 3.033 20 0 CGADMM CC(C)n1cccc1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834824983 634248494 /nfs/dbraw/zinc/24/84/94/634248494.db2.gz FDGAWAFYWMVVNQ-UHFFFAOYSA-N -1 1 292.766 3.358 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ccc(Cl)nc2)n1 ZINC000019845480 634290431 /nfs/dbraw/zinc/29/04/31/634290431.db2.gz ZODBCXLBJRASOV-UHFFFAOYSA-N -1 1 295.795 3.063 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1SCCCS1 ZINC000841408667 635173922 /nfs/dbraw/zinc/17/39/22/635173922.db2.gz MFFQRWYEJOBVDV-UHFFFAOYSA-N -1 1 289.809 3.180 20 0 CGADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)CC(F)F ZINC000843959635 635801008 /nfs/dbraw/zinc/80/10/08/635801008.db2.gz JJMDQGAETSQQIO-ZETCQYMHSA-N -1 1 277.698 3.067 20 0 CGADMM O=C(NCc1ccnc2ccccc12)c1c([O-])cccc1F ZINC000128174323 635907381 /nfs/dbraw/zinc/90/73/81/635907381.db2.gz VEWHGSANRHXREX-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=S(=O)([N-]C1(C2CCC2)CC1)c1cc2ccccc2o1 ZINC000845999155 636128484 /nfs/dbraw/zinc/12/84/84/636128484.db2.gz ULWSHVQIPNYBAK-UHFFFAOYSA-N -1 1 291.372 3.044 20 0 CGADMM COc1ccc(CN2CCC(CC(=O)[O-])CC2)c(Cl)c1 ZINC000846267775 636170100 /nfs/dbraw/zinc/17/01/00/636170100.db2.gz DMYCNTXCFMPDSC-UHFFFAOYSA-N -1 1 297.782 3.035 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(Cl)n1 ZINC000129616668 636322188 /nfs/dbraw/zinc/32/21/88/636322188.db2.gz XDVBNYAUPNAOSI-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM CCc1nc(SC[C@H]2CC2(Cl)Cl)[n-]c(=O)c1C ZINC000849920889 636909243 /nfs/dbraw/zinc/90/92/43/636909243.db2.gz GGQXIEVWHPXKKN-SSDOTTSWSA-N -1 1 293.219 3.339 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCC2(C)C)c1 ZINC000850069198 636945943 /nfs/dbraw/zinc/94/59/43/636945943.db2.gz AJMXYHUYUXFDQC-CQSZACIVSA-N -1 1 290.359 3.117 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1C[C@@H]1C(F)F ZINC000885678590 637284672 /nfs/dbraw/zinc/28/46/72/637284672.db2.gz SEQLWJXSCYJCSY-WHFBIAKZSA-N -1 1 279.645 3.024 20 0 CGADMM Cc1ccc(CN2CCC[C@H](CCC(=O)[O-])C2)c(Cl)n1 ZINC000852731260 637702423 /nfs/dbraw/zinc/70/24/23/637702423.db2.gz IRFGYCBQPWAOPB-GFCCVEGCSA-N -1 1 296.798 3.120 20 0 CGADMM CCCc1[n-]n([C@@H]2CC(C)(C)OC2(C)C)c(=O)c1CC ZINC000887296945 637791429 /nfs/dbraw/zinc/79/14/29/637791429.db2.gz OMUUXBMPBNYQJU-WCQYABFASA-N -1 1 280.412 3.357 20 0 CGADMM CCCCN(C)c1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000111616298 637932019 /nfs/dbraw/zinc/93/20/19/637932019.db2.gz WJCMZRZLKYQLGP-UHFFFAOYSA-N -1 1 299.374 3.276 20 0 CGADMM O=C(/C=C\C1CC1)Nc1cc(F)c([O-])cc1Cl ZINC000885676738 638038128 /nfs/dbraw/zinc/03/81/28/638038128.db2.gz TZMBUCJOPRXNHT-ARJAWSKDSA-N -1 1 255.676 3.089 20 0 CGADMM CCOc1ccc(C[C@@H](C)C(=O)[N-]Oc2ccccc2)cc1 ZINC000854535502 638067505 /nfs/dbraw/zinc/06/75/05/638067505.db2.gz ABPSERTXUAXTPB-CQSZACIVSA-N -1 1 299.370 3.374 20 0 CGADMM CC(C)[N@@H+]1CCC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000924007412 638288188 /nfs/dbraw/zinc/28/81/88/638288188.db2.gz NAFQMRGIJFLVDV-GFCCVEGCSA-N -1 1 291.326 3.127 20 0 CGADMM CC[C@H](C(=O)[N-]OCC1CCC1)c1ccc(F)cc1 ZINC000856349993 638349998 /nfs/dbraw/zinc/34/99/98/638349998.db2.gz NQENCFOFDZEHGX-AWEZNQCLSA-N -1 1 265.328 3.167 20 0 CGADMM CC(C)[C@@H]1CCC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858391268 638702498 /nfs/dbraw/zinc/70/24/98/638702498.db2.gz BATDMXGLYFWLST-NXEZZACHSA-N -1 1 269.776 3.462 20 0 CGADMM CCCC1(CNc2cc(Cl)[n-]c(=O)n2)CCC1 ZINC000858443905 638721000 /nfs/dbraw/zinc/72/10/00/638721000.db2.gz PRUZJMSRHFMODW-UHFFFAOYSA-N -1 1 255.749 3.218 20 0 CGADMM O=c1nc(N[C@@H]2CCOC3(CCCCC3)C2)cc(Cl)[n-]1 ZINC000858451365 638722780 /nfs/dbraw/zinc/72/27/80/638722780.db2.gz WBIHEPVUQKLURI-SNVBAGLBSA-N -1 1 297.786 3.129 20 0 CGADMM O=c1nc(N2CCC(c3ccsc3)CC2)cc(Cl)[n-]1 ZINC000858489549 638739353 /nfs/dbraw/zinc/73/93/53/638739353.db2.gz GLNYTCQDHABZQP-UHFFFAOYSA-N -1 1 295.795 3.281 20 0 CGADMM CC1(C)CCC[C@H](CNc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858564555 638762699 /nfs/dbraw/zinc/76/26/99/638762699.db2.gz PJZYKOVLSQOGFP-VIFPVBQESA-N -1 1 269.776 3.464 20 0 CGADMM O=C(Nc1cccc(N2CCCC2)c1)c1ccccc1[O-] ZINC000047289824 640009060 /nfs/dbraw/zinc/00/90/60/640009060.db2.gz BABKTEPSDDHWTM-UHFFFAOYSA-N -1 1 282.343 3.245 20 0 CGADMM Cc1cc(NCc2c([O-])ccc(Cl)c2F)no1 ZINC000191511239 640315599 /nfs/dbraw/zinc/31/55/99/640315599.db2.gz HNHSNVJXTRXDQH-UHFFFAOYSA-N -1 1 256.664 3.093 20 0 CGADMM Cc1ccc2ccc(C(=O)N[C@@H]3CC=CCC3)c([O-])c2n1 ZINC001155661339 805600872 /nfs/dbraw/zinc/60/08/72/805600872.db2.gz RDBXPJOJFWPDSD-CYBMUJFWSA-N -1 1 282.343 3.087 20 0 CGADMM Cc1c2[nH]c(-c3ccc(C(=O)[O-])cc3)nc2ccc1F ZINC001250480246 805643869 /nfs/dbraw/zinc/64/38/69/805643869.db2.gz UZZKERQSIFURJS-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM COc1ccc(-c2c(F)cc([O-])cc2F)cc1F ZINC001250619635 805729765 /nfs/dbraw/zinc/72/97/65/805729765.db2.gz WOAODGLYLXGCSJ-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM Cn1c(-c2cccc(F)c2[O-])nc2cccc(F)c21 ZINC001250683358 805754645 /nfs/dbraw/zinc/75/46/45/805754645.db2.gz CGLACCFOSRFUDJ-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM Cc1[nH]c(-c2nc3cc(C)c(F)cc3[nH]2)c(C)c1C(=O)[O-] ZINC001250876290 805791792 /nfs/dbraw/zinc/79/17/92/805791792.db2.gz DZQWVEVJQKWVLX-UHFFFAOYSA-N -1 1 287.294 3.321 20 0 CGADMM O=C([O-])c1ccc(-c2nc3ccc4ncccc4c3[nH]2)o1 ZINC001250922251 805798648 /nfs/dbraw/zinc/79/86/48/805798648.db2.gz FVPURGWUMCGTIZ-UHFFFAOYSA-N -1 1 279.255 3.069 20 0 CGADMM Cc1cc2nc(-c3ccc(C(=O)[O-])o3)[nH]c2c(C)c1 ZINC001250923002 805799126 /nfs/dbraw/zinc/79/91/26/805799126.db2.gz RLZJQTCBENQOTN-UHFFFAOYSA-N -1 1 256.261 3.138 20 0 CGADMM CC(=O)c1ccc2[nH]c(-c3c(F)cc([O-])cc3F)nc2c1 ZINC001251008030 805825371 /nfs/dbraw/zinc/82/53/71/805825371.db2.gz ZAAMLCSOWAHUBR-UHFFFAOYSA-N -1 1 288.253 3.416 20 0 CGADMM [O-]c1cnc(Cl)cc1-c1nc2cc3c(cc2[nH]1)CCC3 ZINC001251252286 805872874 /nfs/dbraw/zinc/87/28/74/805872874.db2.gz SDIZRBKXOLTPJW-UHFFFAOYSA-N -1 1 285.734 3.473 20 0 CGADMM [O-]c1cc(-c2nc3c(cc(F)c(F)c3F)[nH]2)ccc1F ZINC001251477179 805899934 /nfs/dbraw/zinc/89/99/34/805899934.db2.gz IRHOPCLBMYLUGZ-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM O=C(N[C@H]1CCCc2ccccc2C1)c1cc(F)ccc1[O-] ZINC001157946907 805906350 /nfs/dbraw/zinc/90/63/50/805906350.db2.gz KGBJDMIMKHBUMT-HNNXBMFYSA-N -1 1 299.345 3.209 20 0 CGADMM CC(=O)c1ccc2c(c1)nc(-c1cc([O-])cc(F)c1)n2C ZINC001251569396 805907755 /nfs/dbraw/zinc/90/77/55/805907755.db2.gz CGJCNMPNUXZIRK-UHFFFAOYSA-N -1 1 284.290 3.288 20 0 CGADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1cccc([O-])c1F ZINC001158195758 805928558 /nfs/dbraw/zinc/92/85/58/805928558.db2.gz VALOGESWYRXXGC-CYBMUJFWSA-N -1 1 289.281 3.088 20 0 CGADMM [O-]c1ccc(-c2nnc(-c3ccccc3)o2)cc1F ZINC001253125888 806176846 /nfs/dbraw/zinc/17/68/46/806176846.db2.gz ASLKTURTFHQYEV-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM COc1cccc(-c2nnc(-c3ccc([O-])cc3F)o2)c1 ZINC001253342533 806205987 /nfs/dbraw/zinc/20/59/87/806205987.db2.gz MHQRPTKIGQTMMB-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM [O-]c1cc(-c2nnc(Cc3ccccc3)o2)ccc1F ZINC001253579670 806264217 /nfs/dbraw/zinc/26/42/17/806264217.db2.gz HTJPQKKWDJYSKM-UHFFFAOYSA-N -1 1 270.263 3.172 20 0 CGADMM C[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])c1cccc(O)c1 ZINC001162295507 806550905 /nfs/dbraw/zinc/55/09/05/806550905.db2.gz IIUHBMKFYHXDPK-MRVPVSSYSA-N -1 1 293.269 3.118 20 0 CGADMM O=C(N[C@@H](C1CC1)C1CCC1)c1ccc(Cl)cc1[O-] ZINC000325203632 799249212 /nfs/dbraw/zinc/24/92/12/799249212.db2.gz KCCOMUXNGDOBBS-CQSZACIVSA-N -1 1 279.767 3.354 20 0 CGADMM C[C@H](Cc1ccco1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000387039211 799443092 /nfs/dbraw/zinc/44/30/92/799443092.db2.gz NRNMHZQLQPKOOQ-GFCCVEGCSA-N -1 1 295.338 3.499 20 0 CGADMM COc1cccc([O-])c1-c1nc(-c2cccc(F)c2)no1 ZINC000405267717 799582706 /nfs/dbraw/zinc/58/27/06/799582706.db2.gz SCPOWXLCNRQDCO-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM C[C@@H]1C[C@H]1c1nnc(-c2cnc(-c3ccccc3)[n-]c2=O)o1 ZINC001256707880 806951292 /nfs/dbraw/zinc/95/12/92/806951292.db2.gz CJBJGOCTZQFTEN-MWLCHTKSSA-N -1 1 294.314 3.023 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001117612614 802471800 /nfs/dbraw/zinc/47/18/00/802471800.db2.gz BQIQWFJQHAJKQK-QWRGUYRKSA-N -1 1 295.329 3.323 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC001120772590 802775714 /nfs/dbraw/zinc/77/57/14/802775714.db2.gz MOUBHYSLLCEVAD-UHFFFAOYSA-N -1 1 277.324 3.336 20 0 CGADMM O=C([N-]c1c(F)cccc1F)c1cnc(C2CC2)o1 ZINC001124367963 803017190 /nfs/dbraw/zinc/01/71/90/803017190.db2.gz MKMAUFRGTQUMRU-UHFFFAOYSA-N -1 1 264.231 3.083 20 0 CGADMM COC(=O)Cc1ccc(-c2cc(F)c([O-])c(F)c2)cc1 ZINC001244097230 803185567 /nfs/dbraw/zinc/18/55/67/803185567.db2.gz SBYUGVHQVRHMHU-UHFFFAOYSA-N -1 1 278.254 3.053 20 0 CGADMM Nc1cnc(-c2ccc(OC(F)(F)F)cc2[O-])c(F)c1 ZINC001244463091 803380843 /nfs/dbraw/zinc/38/08/43/803380843.db2.gz AALBTNVBRJRRGK-UHFFFAOYSA-N -1 1 288.200 3.074 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1ncnc2occc21 ZINC001244463399 803381179 /nfs/dbraw/zinc/38/11/79/803381179.db2.gz GQWDYMGHQLANGP-UHFFFAOYSA-N -1 1 296.204 3.494 20 0 CGADMM Cc1cc(-c2cnc3cc[nH]c3n2)cc(Cl)c1[O-] ZINC001244531414 803422735 /nfs/dbraw/zinc/42/27/35/803422735.db2.gz ZGXBMZNTTBIDGU-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM CC(C)Oc1ccnc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244537284 803423728 /nfs/dbraw/zinc/42/37/28/803423728.db2.gz ATUZNANLHBLHMI-UHFFFAOYSA-N -1 1 282.702 3.429 20 0 CGADMM COCc1nc(C)cc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244540371 803427853 /nfs/dbraw/zinc/42/78/53/803427853.db2.gz MHNIDACRKRVWSJ-UHFFFAOYSA-N -1 1 282.702 3.097 20 0 CGADMM Nc1cn2ccc(-c3c(Cl)ccc([O-])c3F)cc2n1 ZINC001244540179 803428615 /nfs/dbraw/zinc/42/86/15/803428615.db2.gz SCVGZFSKKVBYCB-UHFFFAOYSA-N -1 1 277.686 3.082 20 0 CGADMM COc1cccc(N)c1-c1c(F)c([O-])ccc1Cl ZINC001244543807 803431020 /nfs/dbraw/zinc/43/10/20/803431020.db2.gz XQFYKPHTGMLDDN-UHFFFAOYSA-N -1 1 267.687 3.443 20 0 CGADMM Cc1noc(-c2ccnc(-c3cc(Cl)ccc3[O-])c2)n1 ZINC001245049873 803622382 /nfs/dbraw/zinc/62/23/82/803622382.db2.gz OPQQVMVEIDIPNI-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1ccc(N2CCCC2)nn1 ZINC001245051638 803623239 /nfs/dbraw/zinc/62/32/39/803623239.db2.gz MNRDTHUFTGYPQE-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM CC1CCC(C)(NC(=O)c2ccc(F)c([O-])c2)CC1 ZINC001136547297 803646868 /nfs/dbraw/zinc/64/68/68/803646868.db2.gz PXQBWRAPTNGONY-UHFFFAOYSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1ccncc1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001136680170 803649492 /nfs/dbraw/zinc/64/94/92/803649492.db2.gz VMJVNDIFTZVWAE-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM CC[C@H]1CCCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001136756660 803650781 /nfs/dbraw/zinc/65/07/81/803650781.db2.gz NVVPAXDTGDJQBY-NSHDSACASA-N -1 1 265.328 3.184 20 0 CGADMM Cc1c(C(=O)[O-])cccc1-c1cccc2nc[nH]c21 ZINC001245299402 803694678 /nfs/dbraw/zinc/69/46/78/803694678.db2.gz GLIQMIGKSCCPJM-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM Cc1c(C(=O)[O-])cccc1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001245303508 803697130 /nfs/dbraw/zinc/69/71/30/803697130.db2.gz NPNFTKRFURTBFC-UHFFFAOYSA-N -1 1 299.345 3.487 20 0 CGADMM CN(C)c1ccnc(-c2ccc(C(=O)[O-])cc2Cl)c1 ZINC001245373237 803717763 /nfs/dbraw/zinc/71/77/63/803717763.db2.gz UMUMXEICPCSTRO-UHFFFAOYSA-N -1 1 276.723 3.166 20 0 CGADMM CSc1nc(Nc2cccc(OC(F)F)c2)cc(=O)[n-]1 ZINC001212056459 814970524 /nfs/dbraw/zinc/97/05/24/814970524.db2.gz VSGFHKHSBXNNCF-UHFFFAOYSA-N -1 1 299.302 3.249 20 0 CGADMM Clc1cccc(Cl)c1-c1ccc(-c2nnn[n-]2)nc1 ZINC001245674927 803904208 /nfs/dbraw/zinc/90/42/08/803904208.db2.gz FUWHLNFTDOCOIH-UHFFFAOYSA-N -1 1 292.129 3.236 20 0 CGADMM Clc1cccc(Cl)c1-c1ccc(-c2nn[n-]n2)nc1 ZINC001245674927 803904214 /nfs/dbraw/zinc/90/42/14/803904214.db2.gz FUWHLNFTDOCOIH-UHFFFAOYSA-N -1 1 292.129 3.236 20 0 CGADMM CCOC(=O)c1cccc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245828377 803983275 /nfs/dbraw/zinc/98/32/75/803983275.db2.gz SWNMBZCVDKLMER-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM CN1Cc2ccc(-c3c(F)ccc([O-])c3Cl)cc2C1=O ZINC001245832203 803986230 /nfs/dbraw/zinc/98/62/30/803986230.db2.gz NOVSPSIVKSDNNF-UHFFFAOYSA-N -1 1 291.709 3.437 20 0 CGADMM NC(=O)c1ccc(F)cc1-c1c(F)ccc([O-])c1Cl ZINC001245834004 803988550 /nfs/dbraw/zinc/98/85/50/803988550.db2.gz BHUQSHFQBYKICH-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(OC(C)C)cc2)[n-]1 ZINC001245925024 804051951 /nfs/dbraw/zinc/05/19/51/804051951.db2.gz NKZXEMJYQOLAGM-UHFFFAOYSA-N -1 1 260.337 3.318 20 0 CGADMM O=c1cc(C2CCCC2)[n-]n1C(=S)NC1CCCCC1 ZINC001245928693 804057054 /nfs/dbraw/zinc/05/70/54/804057054.db2.gz PQEZAMNPFBXCGZ-UHFFFAOYSA-N -1 1 293.436 3.302 20 0 CGADMM O=c1cc(CC2CCCCC2)[n-]n1-c1ccnc(F)c1 ZINC001245938821 804069653 /nfs/dbraw/zinc/06/96/53/804069653.db2.gz BJFICTCNYGXWDR-UHFFFAOYSA-N -1 1 275.327 3.235 20 0 CGADMM CC(C)(C)NC(=S)n1[n-]c(CC2CCCCC2)cc1=O ZINC001245939705 804072024 /nfs/dbraw/zinc/07/20/24/804072024.db2.gz OSMZAHFZNHYHNO-UHFFFAOYSA-N -1 1 295.452 3.233 20 0 CGADMM O=C(Nc1ccc(C2CCC2)cc1)c1ccc([O-])cn1 ZINC001139448234 804190603 /nfs/dbraw/zinc/19/06/03/804190603.db2.gz YRJRNQPMXFSHNA-UHFFFAOYSA-N -1 1 268.316 3.307 20 0 CGADMM Cc1[nH]c(CN2CCCC[C@@](C)(F)C2)c(C)c1C(=O)[O-] ZINC001140493500 804446689 /nfs/dbraw/zinc/44/66/89/804446689.db2.gz AGOBZDPWWKCJPL-OAHLLOKOSA-N -1 1 282.359 3.044 20 0 CGADMM Cc1[nH]c(CN2CCC[C@@H]3CCCC[C@@H]32)c(C)c1C(=O)[O-] ZINC001140497173 804447534 /nfs/dbraw/zinc/44/75/34/804447534.db2.gz HSVHAAWPOWGWHP-ZFWWWQNUSA-N -1 1 290.407 3.484 20 0 CGADMM COc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1C ZINC001256928719 807013906 /nfs/dbraw/zinc/01/39/06/807013906.db2.gz CJFSWDACNNDGGK-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM C[C@]1(F)CCCCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001140889684 804541771 /nfs/dbraw/zinc/54/17/71/804541771.db2.gz JOIVMFGSDUFRAR-AWEZNQCLSA-N -1 1 273.298 3.385 20 0 CGADMM CCN(Cc1ccncc1)Cc1ccc([O-])c(F)c1F ZINC001140889186 804542762 /nfs/dbraw/zinc/54/27/62/804542762.db2.gz AQXQWSBLBMEADB-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM O=C1CCN(Cc2cc(F)c([O-])c(F)c2)[C@@H]2CCCC[C@H]12 ZINC001140987988 804561295 /nfs/dbraw/zinc/56/12/95/804561295.db2.gz JKMAAWHSWDTDRL-SMDDNHRTSA-N -1 1 295.329 3.004 20 0 CGADMM Cc1cc([C@@H]2CCCN2Cc2cc(F)c([O-])c(F)c2)no1 ZINC001140988341 804562777 /nfs/dbraw/zinc/56/27/77/804562777.db2.gz XBZBENJBLVPUEO-AWEZNQCLSA-N -1 1 294.301 3.304 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@H]2c2ccncc2)cc1F ZINC001140989874 804564853 /nfs/dbraw/zinc/56/48/53/804564853.db2.gz FLMOWULMAGXYRA-HNNXBMFYSA-N -1 1 290.313 3.403 20 0 CGADMM CCCOc1ccc(-c2noc(-c3ncccc3[O-])n2)cc1 ZINC001212481080 815035666 /nfs/dbraw/zinc/03/56/66/815035666.db2.gz ZHUZWOPXIJSXDH-UHFFFAOYSA-N -1 1 297.314 3.293 20 0 CGADMM CC[C@H](CC(C)C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC001141624358 804658801 /nfs/dbraw/zinc/65/88/01/804658801.db2.gz PJALHDZIJCJPEX-LLVKDONJSA-N -1 1 290.363 3.463 20 0 CGADMM CC[C@@H](NC(=O)c1c([O-])cccc1F)[C@H]1CC1(C)C ZINC001142506350 804727982 /nfs/dbraw/zinc/72/79/82/804727982.db2.gz PDGNAUANKAAQAE-MWLCHTKSSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccccc1F ZINC001142537364 804734215 /nfs/dbraw/zinc/73/42/15/804734215.db2.gz JGMAMNJULBMKKX-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM [O-]c1cc(F)c(CN2CCc3ccccc3C2)c(F)c1 ZINC001144542416 805001536 /nfs/dbraw/zinc/00/15/36/805001536.db2.gz WVIZZHXPDNUXPN-UHFFFAOYSA-N -1 1 275.298 3.229 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@H](C(F)F)C2)c(F)c1 ZINC001144555182 805005492 /nfs/dbraw/zinc/00/54/92/805005492.db2.gz YRJLTKHUUCPKMV-MRVPVSSYSA-N -1 1 277.261 3.148 20 0 CGADMM CCN(Cc1ccncc1)Cc1cc(F)c([O-])cc1F ZINC001144646688 805021377 /nfs/dbraw/zinc/02/13/77/805021377.db2.gz HAGAEUIHUCPYTG-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM C[C@@]1(CF)CC(F)(F)CN1Cc1cc(F)c([O-])cc1F ZINC001144648436 805023426 /nfs/dbraw/zinc/02/34/26/805023426.db2.gz SMSAQTJFEZFWKX-LBPRGKRZSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cc(F)c(CN2CC(c3ccccc3)C2)cc1F ZINC001144657747 805025690 /nfs/dbraw/zinc/02/56/90/805025690.db2.gz GLZIKUSKTGYZOI-UHFFFAOYSA-N -1 1 275.298 3.270 20 0 CGADMM Nc1c(Cl)cccc1C(=O)Nc1c([O-])cccc1F ZINC001146491507 805070082 /nfs/dbraw/zinc/07/00/82/805070082.db2.gz CHLRDCMNTRNJFS-UHFFFAOYSA-N -1 1 280.686 3.019 20 0 CGADMM CC(C)[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148790728 805211942 /nfs/dbraw/zinc/21/19/42/805211942.db2.gz TZLHQWYRVAPXOP-MRVPVSSYSA-N -1 1 275.270 3.185 20 0 CGADMM CC(F)(F)CNC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148861059 805212353 /nfs/dbraw/zinc/21/23/53/805212353.db2.gz IZBWPVBPSCWIKX-UHFFFAOYSA-N -1 1 291.297 3.444 20 0 CGADMM O=C([O-])c1c(F)ccc(CN2CC[C@@H]3CCC[C@H]3C2)c1F ZINC001249764707 805237072 /nfs/dbraw/zinc/23/70/72/805237072.db2.gz WQGNCIUEENIIII-QWRGUYRKSA-N -1 1 295.329 3.285 20 0 CGADMM CC(C)[C@@H](C)NC(=O)c1cc2cccc(O)c2cc1[O-] ZINC001149645352 805240134 /nfs/dbraw/zinc/24/01/34/805240134.db2.gz OIFKHUYFQQZSEG-SNVBAGLBSA-N -1 1 273.332 3.025 20 0 CGADMM COc1ccccc1C(=O)Cc1ccc(Cl)c([O-])c1 ZINC001249892093 805284355 /nfs/dbraw/zinc/28/43/55/805284355.db2.gz SYAKSPCMGMPMRE-UHFFFAOYSA-N -1 1 276.719 3.480 20 0 CGADMM [O-]c1cc(F)c(CCOc2ccccc2)cc1F ZINC001249935481 805315358 /nfs/dbraw/zinc/31/53/58/805315358.db2.gz PEAMJJBRTYICEU-UHFFFAOYSA-N -1 1 250.244 3.292 20 0 CGADMM Cc1cc(Nc2cc([O-])c(F)c(F)c2F)sn1 ZINC001249958489 805324038 /nfs/dbraw/zinc/32/40/38/805324038.db2.gz NKMOKKCRUUYVBM-UHFFFAOYSA-N -1 1 260.240 3.318 20 0 CGADMM COc1cncc(Nc2cc([O-])c(F)c(F)c2F)c1C ZINC001249957997 805325089 /nfs/dbraw/zinc/32/50/89/805325089.db2.gz IRRLEXSUDJOHFG-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM Cc1cc(F)ncc1Nc1cc([O-])c(F)c(F)c1F ZINC001249957987 805325357 /nfs/dbraw/zinc/32/53/57/805325357.db2.gz IJIUGYGQNMJXSH-UHFFFAOYSA-N -1 1 272.201 3.396 20 0 CGADMM COc1cc(Nc2cc([O-])c(F)c(F)c2F)ncc1C ZINC001249961251 805329496 /nfs/dbraw/zinc/32/94/96/805329496.db2.gz NBQVSVPFPNOYKZ-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM [O-]c1cc(Nc2cccc(CO)c2)c(F)c(F)c1F ZINC001249963324 805330956 /nfs/dbraw/zinc/33/09/56/805330956.db2.gz MJEFCQDQOWLSBE-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM CCc1nnc(Nc2cc(Cl)c([O-])cc2F)s1 ZINC001250018441 805370163 /nfs/dbraw/zinc/37/01/63/805370163.db2.gz PZFGYFYMZCFGPK-UHFFFAOYSA-N -1 1 273.720 3.342 20 0 CGADMM Nc1ccc2cn(-c3cc(Cl)c([O-])cc3F)nc2c1 ZINC001250021981 805373623 /nfs/dbraw/zinc/37/36/23/805373623.db2.gz AXSLSBGYCYBJOM-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM O=C(NCOc1ccccc1)c1c([O-])ccc2ccccc21 ZINC001153509828 805400742 /nfs/dbraw/zinc/40/07/42/805400742.db2.gz FSXXHNPDXAGVRK-UHFFFAOYSA-N -1 1 293.322 3.312 20 0 CGADMM [O-]c1cc(C[C@@H]2COc3ccccc3O2)ccc1Cl ZINC001250173973 805460868 /nfs/dbraw/zinc/46/08/68/805460868.db2.gz BAGLOYNDOLVIOH-LLVKDONJSA-N -1 1 276.719 3.428 20 0 CGADMM COC(=O)c1cccc(Cc2c(F)cc([O-])cc2F)c1 ZINC001250192341 805480697 /nfs/dbraw/zinc/48/06/97/805480697.db2.gz XZBLJIXYYPGSOX-UHFFFAOYSA-N -1 1 278.254 3.048 20 0 CGADMM CCOc1nccnc1Nc1c(F)ccc([O-])c1Cl ZINC001250228980 805504879 /nfs/dbraw/zinc/50/48/79/805504879.db2.gz RAPFXESHLSEJRS-UHFFFAOYSA-N -1 1 283.690 3.117 20 0 CGADMM Cn1nc2c(c1Nc1c(F)ccc([O-])c1Cl)CCC2 ZINC001250227989 805505417 /nfs/dbraw/zinc/50/54/17/805505417.db2.gz GGLHGIBWDREGJG-UHFFFAOYSA-N -1 1 281.718 3.151 20 0 CGADMM CC(C)CCC[C@H](C)NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269393 805565284 /nfs/dbraw/zinc/56/52/84/805565284.db2.gz DETJYTGUJKYCGA-NSHDSACASA-N -1 1 289.379 3.213 20 0 CGADMM CC(C)(C)Cc1nnc(-c2cc([O-])cc(F)c2)o1 ZINC001257899160 807246214 /nfs/dbraw/zinc/24/62/14/807246214.db2.gz QVBODYJVBAXCFD-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2ccnc3ccccc32)no1 ZINC001212722396 815114958 /nfs/dbraw/zinc/11/49/58/815114958.db2.gz DRDYAFPNNJEXGO-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1cccc2cc(Cl)cnc21 ZINC001260739557 807702331 /nfs/dbraw/zinc/70/23/31/807702331.db2.gz IZNPBJXHMZXAHE-VIFPVBQESA-N -1 1 298.795 3.428 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC001260742324 807704444 /nfs/dbraw/zinc/70/44/44/807704444.db2.gz AMCYQPGOYKKQQY-VIFPVBQESA-N -1 1 298.795 3.428 20 0 CGADMM O=C(CC(C1CC1)C1CC1)Nc1cccc(F)c1[O-] ZINC001261832332 807790854 /nfs/dbraw/zinc/79/08/54/807790854.db2.gz JSJVFKPCXNAPEH-UHFFFAOYSA-N -1 1 263.312 3.296 20 0 CGADMM CC(C)c1[nH]ccc1C(=O)Nc1cccc(F)c1[O-] ZINC001171638515 808111666 /nfs/dbraw/zinc/11/16/66/808111666.db2.gz XHVAATMDCQUGKX-UHFFFAOYSA-N -1 1 262.284 3.235 20 0 CGADMM Cc1nc2ccc([N-]c3nnc(C(C)C)o3)cc2o1 ZINC001213062942 815216272 /nfs/dbraw/zinc/21/62/72/815216272.db2.gz KWZDIPUWTIKAOQ-UHFFFAOYSA-N -1 1 258.281 3.386 20 0 CGADMM COc1ccc(OC)c(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001173920716 808761394 /nfs/dbraw/zinc/76/13/94/808761394.db2.gz PFMLXNPQHFSHEI-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM CC(C)(C)c1nc([N-]c2ccc(F)cc2F)no1 ZINC001173925342 808764225 /nfs/dbraw/zinc/76/42/25/808764225.db2.gz MQVNHFDQSGBWGW-UHFFFAOYSA-N -1 1 253.252 3.389 20 0 CGADMM CCc1ccccc1Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001173970529 808795189 /nfs/dbraw/zinc/79/51/89/808795189.db2.gz ZJSFLTCJMUUXIZ-UHFFFAOYSA-N -1 1 291.372 3.102 20 0 CGADMM CC(C)(C)c1nnc([N-]c2ccnc3ccccc23)o1 ZINC001174037603 808835129 /nfs/dbraw/zinc/83/51/29/808835129.db2.gz WUQIRAGRKQOWKA-UHFFFAOYSA-N -1 1 268.320 3.081 20 0 CGADMM NC(=O)c1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001174059138 808849337 /nfs/dbraw/zinc/84/93/37/808849337.db2.gz UEMVNESCESVMQA-UHFFFAOYSA-N -1 1 280.686 3.027 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cccc2n[nH]cc21 ZINC001174342842 808963137 /nfs/dbraw/zinc/96/31/37/808963137.db2.gz GWUYGNPTNQIOFO-UHFFFAOYSA-N -1 1 260.684 3.061 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cccc2[nH]ncc21 ZINC001174342842 808963140 /nfs/dbraw/zinc/96/31/40/808963140.db2.gz GWUYGNPTNQIOFO-UHFFFAOYSA-N -1 1 260.684 3.061 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccnc2[nH]ccc21 ZINC001174410521 809003312 /nfs/dbraw/zinc/00/33/12/809003312.db2.gz YWFUYNVWIPROJH-UHFFFAOYSA-N -1 1 293.282 3.070 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccnc2[nH]ccc21 ZINC001174411075 809004606 /nfs/dbraw/zinc/00/46/06/809004606.db2.gz HWJJSCXNZNGWFV-UHFFFAOYSA-N -1 1 261.231 3.242 20 0 CGADMM c1coc(-c2nnc([N-]c3cccc(-c4cc[nH]n4)c3)o2)c1 ZINC001174506661 809053983 /nfs/dbraw/zinc/05/39/83/809053983.db2.gz URBDSHUQJAAWJP-UHFFFAOYSA-N -1 1 293.286 3.463 20 0 CGADMM Cc1cc(O)ccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001174560086 809082613 /nfs/dbraw/zinc/08/26/13/809082613.db2.gz BXLIMIUFIIMHTM-UHFFFAOYSA-N -1 1 283.283 3.256 20 0 CGADMM CC(C)(O)c1cncc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174593436 809095996 /nfs/dbraw/zinc/09/59/96/809095996.db2.gz CLXYVQGNKLZXOA-UHFFFAOYSA-N -1 1 280.274 3.036 20 0 CGADMM Cc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1N ZINC001174933460 809204713 /nfs/dbraw/zinc/20/47/13/809204713.db2.gz GJAGWGFNVOCLJZ-UHFFFAOYSA-N -1 1 282.299 3.133 20 0 CGADMM CCC1(CC)CN(C(=O)c2cccc([O-])c2F)CCS1 ZINC001296113911 809499547 /nfs/dbraw/zinc/49/95/47/809499547.db2.gz RZKHFOQSYHWKTJ-UHFFFAOYSA-N -1 1 297.395 3.279 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1cccc2c1CCC2 ZINC001297819970 809523977 /nfs/dbraw/zinc/52/39/77/809523977.db2.gz KEJGSBIWJWTXIK-UHFFFAOYSA-N -1 1 289.281 3.411 20 0 CGADMM CC(C)c1cccc(-n2[n-]c(=O)c3cc(N)ccc32)c1 ZINC001175778609 809541630 /nfs/dbraw/zinc/54/16/30/809541630.db2.gz KOTNQZVXMQOPMP-UHFFFAOYSA-N -1 1 267.332 3.437 20 0 CGADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)[C@@H]1CC2CCC1CC2 ZINC001300206140 809563332 /nfs/dbraw/zinc/56/33/32/809563332.db2.gz DRPIUQIZESBKNB-BBCYWQGDSA-N -1 1 291.366 3.476 20 0 CGADMM O=C(NCc1ccc2cccnc2c1)c1ccc([O-])cc1F ZINC001302364971 809593285 /nfs/dbraw/zinc/59/32/85/809593285.db2.gz MXWLOBLOISZPLG-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cc(O)ccc2C)c1 ZINC001302436740 809594401 /nfs/dbraw/zinc/59/44/01/809594401.db2.gz DFDJYTUBGQVOCO-UHFFFAOYSA-N -1 1 289.356 3.380 20 0 CGADMM CC(C)c1cccc(C(=O)Nc2cccc(F)c2[O-])n1 ZINC001302486599 809595470 /nfs/dbraw/zinc/59/54/70/809595470.db2.gz QUPFNLLSRQVKSO-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM [O-]c1c(F)cc(Nc2cccc3c2OCC3)cc1F ZINC001176075442 809614533 /nfs/dbraw/zinc/61/45/33/809614533.db2.gz MLNZZZPJIAHPMY-UHFFFAOYSA-N -1 1 263.243 3.349 20 0 CGADMM CSc1nc(Nc2cccc(Cl)c2)cc(=O)[n-]1 ZINC001176221594 809649529 /nfs/dbraw/zinc/64/95/29/809649529.db2.gz FQCAFYSFSOPBHZ-UHFFFAOYSA-N -1 1 267.741 3.301 20 0 CGADMM COc1ccc(Nc2cc(F)c([O-])cc2F)cc1O ZINC001176259148 809657250 /nfs/dbraw/zinc/65/72/50/809657250.db2.gz CZFLOVACVLYNSE-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc(F)nc2F)c1F ZINC001176663705 809738241 /nfs/dbraw/zinc/73/82/41/809738241.db2.gz LKCZYDFBKCKLNA-UHFFFAOYSA-N -1 1 276.164 3.226 20 0 CGADMM CCOc1cncc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176664665 809738892 /nfs/dbraw/zinc/73/88/92/809738892.db2.gz UEEMWHGQMJFSSD-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM Cn1cc2c(cccc2Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176671773 809739928 /nfs/dbraw/zinc/73/99/28/809739928.db2.gz OJMCXZCLOXEZRF-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM O=C1OCc2cccc(Nc3c(F)cc(F)c([O-])c3F)c21 ZINC001176674169 809741322 /nfs/dbraw/zinc/74/13/22/809741322.db2.gz RNDPYDGBHDRYSQ-UHFFFAOYSA-N -1 1 295.216 3.224 20 0 CGADMM COCOc1ccc(F)cc1[N-]c1noc(C(C)(C)C)n1 ZINC001176714067 809747809 /nfs/dbraw/zinc/74/78/09/809747809.db2.gz FXFQWYMJQKTYAH-UHFFFAOYSA-N -1 1 295.314 3.233 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cnc(C2CC2)o1 ZINC001179659836 809935666 /nfs/dbraw/zinc/93/56/66/809935666.db2.gz HMSSZCDRVOYXBB-UHFFFAOYSA-N -1 1 296.685 3.302 20 0 CGADMM O=C(Cc1ccc2nc[nH]c2c1)Nc1ccccc1[S-] ZINC001182843107 810127023 /nfs/dbraw/zinc/12/70/23/810127023.db2.gz BYJVWEWHOPETIK-UHFFFAOYSA-N -1 1 283.356 3.033 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(CF)cc1 ZINC001183218421 810141153 /nfs/dbraw/zinc/14/11/53/810141153.db2.gz JGMZOVSLABPPHQ-UHFFFAOYSA-N -1 1 280.686 3.162 20 0 CGADMM COC(=O)c1c(F)cccc1Nc1ccnc(Cl)c1[O-] ZINC001214047198 815360594 /nfs/dbraw/zinc/36/05/94/815360594.db2.gz ASCWCDQDDJXXST-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM O=C(Nc1cnc2ccc(O)cc2c1)c1ccc([O-])c(F)c1 ZINC001186208744 810321549 /nfs/dbraw/zinc/32/15/49/810321549.db2.gz IKTSRDSBLJFBBO-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM Cc1nc(S[C@@H]2CCc3ccccc3C2)[n-]c(=O)c1C ZINC001189061323 810540665 /nfs/dbraw/zinc/54/06/65/810540665.db2.gz NTQRYAMBFWBOPF-CQSZACIVSA-N -1 1 286.400 3.449 20 0 CGADMM CCCCNC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001190622230 810639044 /nfs/dbraw/zinc/63/90/44/810639044.db2.gz SAYNNMMAGZMLFN-UHFFFAOYSA-N -1 1 276.258 3.333 20 0 CGADMM CC(C)Cc1ccccc1[N-]S(=O)(=O)c1ccncc1 ZINC001190897863 810654949 /nfs/dbraw/zinc/65/49/49/810654949.db2.gz KLEXQTQHQVHREU-UHFFFAOYSA-N -1 1 290.388 3.081 20 0 CGADMM CC(C)c1cccnc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191493679 810719558 /nfs/dbraw/zinc/71/95/58/810719558.db2.gz JIFFHKWWOLVPTI-UHFFFAOYSA-N -1 1 282.409 3.137 20 0 CGADMM CC(C)(C)c1ccc(C(=O)Nc2ccccc2CO)c([O-])c1 ZINC001192322842 810787348 /nfs/dbraw/zinc/78/73/48/810787348.db2.gz PXHZCEJBKWOHJH-UHFFFAOYSA-N -1 1 299.370 3.434 20 0 CGADMM CN(CCc1cccs1)C(=O)c1cc([O-])cc(F)c1F ZINC001192664836 810814605 /nfs/dbraw/zinc/81/46/05/810814605.db2.gz PXQCKHYBYOIDGN-UHFFFAOYSA-N -1 1 297.326 3.047 20 0 CGADMM C[C@H]1CCCC[C@H]1CNC(=O)c1cc([O-])cc(F)c1F ZINC001192670766 810815053 /nfs/dbraw/zinc/81/50/53/810815053.db2.gz NNZFHMYSAXGGSE-UWVGGRQHSA-N -1 1 283.318 3.227 20 0 CGADMM Nc1ccccc1S(=O)(=O)[N-]c1cc2cccccc-2c1 ZINC001193895660 810975077 /nfs/dbraw/zinc/97/50/77/810975077.db2.gz DDOULRKGXLUDNP-UHFFFAOYSA-N -1 1 298.367 3.174 20 0 CGADMM [O-]c1c(F)cc(Nc2cncc(F)c2)cc1Cl ZINC001214479931 815415633 /nfs/dbraw/zinc/41/56/33/815415633.db2.gz LEKCMQRMDGYLFZ-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM COC(=O)c1cncc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214483040 815416752 /nfs/dbraw/zinc/41/67/52/815416752.db2.gz ZNDQDMGMGIQRLF-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM NC(=O)c1cccc(F)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214494287 815417211 /nfs/dbraw/zinc/41/72/11/815417211.db2.gz LBDUJYKWMPASGT-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM CC[C@H](C)COC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001194810567 811141365 /nfs/dbraw/zinc/14/13/65/811141365.db2.gz BNDFIAWWGPBITA-ZETCQYMHSA-N -1 1 259.252 3.265 20 0 CGADMM O=C(Nc1nc(C2CC2)cs1)c1cc([O-])cnc1Cl ZINC001195298001 811239227 /nfs/dbraw/zinc/23/92/27/811239227.db2.gz UNLHNSXPGNECHA-UHFFFAOYSA-N -1 1 295.751 3.027 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1csc2ccccc12 ZINC001195458023 811256778 /nfs/dbraw/zinc/25/67/78/811256778.db2.gz HPJWGFJNKXXWSX-UHFFFAOYSA-N -1 1 280.374 3.344 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cccc2sccc21 ZINC001195490586 811261629 /nfs/dbraw/zinc/26/16/29/811261629.db2.gz JIMSJHXSUZEVKR-UHFFFAOYSA-N -1 1 280.374 3.344 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c(C)c2)cn1 ZINC001198314553 811491203 /nfs/dbraw/zinc/49/12/03/811491203.db2.gz GBDXYTINRRIGGV-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM CCCCC[C@H](Oc1cnnc(=S)[n-]1)C(C)C ZINC001228641230 817960846 /nfs/dbraw/zinc/96/08/46/817960846.db2.gz ALDKOZSVUMUHFI-JTQLQIEISA-N -1 1 255.387 3.144 20 0 CGADMM COCOc1c(C)cccc1Nc1ccnc(Cl)c1[O-] ZINC001214848648 815456036 /nfs/dbraw/zinc/45/60/36/815456036.db2.gz KPJKOAWZWSMADP-UHFFFAOYSA-N -1 1 294.738 3.475 20 0 CGADMM O=C([N-]c1cnoc1)c1cc(-c2ccccc2)cnc1F ZINC001199728362 811592722 /nfs/dbraw/zinc/59/27/22/811592722.db2.gz SKVUIAHNXWINGN-UHFFFAOYSA-N -1 1 283.262 3.128 20 0 CGADMM CCCCCCNC(=S)Nc1ccc(F)cc1[O-] ZINC001200954599 811773771 /nfs/dbraw/zinc/77/37/71/811773771.db2.gz XITSZNRBQVALMW-UHFFFAOYSA-N -1 1 270.373 3.398 20 0 CGADMM COc1ccccc1NC(=O)Nc1cccc(F)c1[O-] ZINC001202127426 812020465 /nfs/dbraw/zinc/02/04/65/812020465.db2.gz QDVHQYNELJCMRV-UHFFFAOYSA-N -1 1 276.267 3.184 20 0 CGADMM COc1ccccc1NC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001202127545 812020901 /nfs/dbraw/zinc/02/09/01/812020901.db2.gz SUEKEVWHSXRWBV-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM CCOc1ccc(-c2nc(-c3ccnc(C)c3)no2)c([O-])c1 ZINC001215241356 815498211 /nfs/dbraw/zinc/49/82/11/815498211.db2.gz SJCJEKZUVUXJLX-UHFFFAOYSA-N -1 1 297.314 3.211 20 0 CGADMM O=C(Nc1ccc(F)cc1)Nc1cc(F)c([O-])cc1F ZINC001202354485 812071528 /nfs/dbraw/zinc/07/15/28/812071528.db2.gz KOBVCAIXOWZHOI-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])Nc1cc(F)ccc1F ZINC001202655782 812148256 /nfs/dbraw/zinc/14/82/56/812148256.db2.gz VLBHAVLNKNMABA-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM CCOc1cc(C)c([N-]c2nnc(C(C)(C)C)o2)cn1 ZINC001203041157 812223952 /nfs/dbraw/zinc/22/39/52/812223952.db2.gz SVNOACXHIXZAJC-UHFFFAOYSA-N -1 1 276.340 3.213 20 0 CGADMM COCCOc1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001215574476 815538242 /nfs/dbraw/zinc/53/82/42/815538242.db2.gz VDKZJQHOTGWIHX-UHFFFAOYSA-N -1 1 295.285 3.439 20 0 CGADMM Cc1ccc(N)cc1Nc1cc(F)c([O-])cc1F ZINC001215573327 815538263 /nfs/dbraw/zinc/53/82/63/815538263.db2.gz FJPKAVUMVQVOCP-UHFFFAOYSA-N -1 1 250.248 3.305 20 0 CGADMM O=C1CCc2cccc(Nc3cc(F)c([O-])cc3F)c2N1 ZINC001215576560 815539363 /nfs/dbraw/zinc/53/93/63/815539363.db2.gz CJNDQRYSTMYTPW-UHFFFAOYSA-N -1 1 290.269 3.299 20 0 CGADMM Cc1ccc(CO)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001215576473 815539891 /nfs/dbraw/zinc/53/98/91/815539891.db2.gz AFKVBMSTKZPWMX-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM COc1cc(C)cc(F)c1Nc1ncc(F)cc1[O-] ZINC001215707918 815563139 /nfs/dbraw/zinc/56/31/39/815563139.db2.gz OORLMLQAWLDEQE-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM Cn1ccc2cc(Nc3ccc(F)c(F)c3[O-])cnc21 ZINC001205772909 813071694 /nfs/dbraw/zinc/07/16/94/813071694.db2.gz DRVNKAKBWCMJCW-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM [O-]c1c(Cl)c(Cl)ccc1Nc1cnn2cccnc12 ZINC001205997477 813157673 /nfs/dbraw/zinc/15/76/73/813157673.db2.gz QOXPYNJVZPAABL-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM COc1ncc(-c2cc(F)c([O-])cc2F)cc1C ZINC001206775981 813435266 /nfs/dbraw/zinc/43/52/66/813435266.db2.gz UCHZJBLSRDYALH-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM Cc1cccc2ncc(Nc3cc(F)cc(C(=O)[O-])c3)n21 ZINC001209889241 814189757 /nfs/dbraw/zinc/18/97/57/814189757.db2.gz WSIBMYCIVFULPS-UHFFFAOYSA-N -1 1 285.278 3.224 20 0 CGADMM Cc1cc2n[nH]cc2cc1[N-]c1nnc(C(C)(C)C)o1 ZINC001210100099 814284646 /nfs/dbraw/zinc/28/46/46/814284646.db2.gz DRLJUGLJVQOFBO-UHFFFAOYSA-N -1 1 271.324 3.295 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc(OC(F)F)nc1 ZINC001210301662 814393239 /nfs/dbraw/zinc/39/32/39/814393239.db2.gz KVANPUXNHMCGFJ-UHFFFAOYSA-N -1 1 287.653 3.181 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc3c2OCCO3)cc1F ZINC001210372734 814429071 /nfs/dbraw/zinc/42/90/71/814429071.db2.gz MJZJUUZYNPXLOK-UHFFFAOYSA-N -1 1 279.242 3.185 20 0 CGADMM CS(=O)(=O)c1ccc([O-])c(N=C2CCCCCCC2)c1 ZINC001210448974 814461262 /nfs/dbraw/zinc/46/12/62/814461262.db2.gz DYSLOROUGVZOSB-UHFFFAOYSA-N -1 1 295.404 3.446 20 0 CGADMM CS(=O)(=O)c1ccc([O-])c(NC2=CCCCCCC2)c1 ZINC001210448974 814461268 /nfs/dbraw/zinc/46/12/68/814461268.db2.gz DYSLOROUGVZOSB-UHFFFAOYSA-N -1 1 295.404 3.446 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc(CO)c(F)c1 ZINC001210487139 814484088 /nfs/dbraw/zinc/48/40/88/814484088.db2.gz LIULHFOTNOGSTN-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM C[C@H](O)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001210513743 814501476 /nfs/dbraw/zinc/50/14/76/814501476.db2.gz CLVVBDGLSGKRDN-QMMMGPOBSA-N -1 1 265.259 3.467 20 0 CGADMM CC(C)(O)c1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001210617963 814559109 /nfs/dbraw/zinc/55/91/09/814559109.db2.gz UASINCBCAHHYNZ-UHFFFAOYSA-N -1 1 278.739 3.412 20 0 CGADMM COc1nc(C)nc(-c2cccc([O-])c2Cl)c1C ZINC001242799264 823135821 /nfs/dbraw/zinc/13/58/21/823135821.db2.gz BWMMMQROHPQCAR-UHFFFAOYSA-N -1 1 264.712 3.128 20 0 CGADMM Nc1ccccc1C(=S)Nc1cccc([O-])c1Cl ZINC001210859919 814653441 /nfs/dbraw/zinc/65/34/41/814653441.db2.gz MCGIHMNTVSUPSQ-UHFFFAOYSA-N -1 1 278.764 3.415 20 0 CGADMM CCOC(=O)Cc1ccc(-c2cccc([O-])c2Cl)cn1 ZINC001242799382 823135704 /nfs/dbraw/zinc/13/57/04/823135704.db2.gz IGXFGGRGNIERFQ-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM COC(=O)c1oc2ccccc2c1[N-]c1nccs1 ZINC001210991049 814701885 /nfs/dbraw/zinc/70/18/85/814701885.db2.gz UEILNYBFYYMDPD-UHFFFAOYSA-N -1 1 274.301 3.420 20 0 CGADMM CCOc1ccc(F)c([N-]c2nc(C)ns2)c1 ZINC001211050917 814723169 /nfs/dbraw/zinc/72/31/69/814723169.db2.gz PTSAXLGUPJUCSE-UHFFFAOYSA-N -1 1 253.302 3.128 20 0 CGADMM O=C1OCc2ccc(-c3cccc([O-])c3Cl)cc21 ZINC001242799766 823136543 /nfs/dbraw/zinc/13/65/43/823136543.db2.gz BHYMQLDXNIWRLT-UHFFFAOYSA-N -1 1 260.676 3.383 20 0 CGADMM CCc1ncc(F)c(-c2cccc([O-])c2Cl)n1 ZINC001242801481 823137011 /nfs/dbraw/zinc/13/70/11/823137011.db2.gz RMJUYLRQNCEFJL-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM Cc1cc(-c2cccc([O-])c2Cl)nc(-c2ncccn2)n1 ZINC001242801395 823137035 /nfs/dbraw/zinc/13/70/35/823137035.db2.gz PXVXZECBQZMGIQ-UHFFFAOYSA-N -1 1 298.733 3.268 20 0 CGADMM CSc1cnc(-c2cccc([O-])c2Cl)cn1 ZINC001242800746 823137171 /nfs/dbraw/zinc/13/71/71/823137171.db2.gz NKTFGQXNNMMMEL-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM [O-]c1cccc(-c2cc(O[C@@H]3CCOC3)ccn2)c1Cl ZINC001242802996 823137720 /nfs/dbraw/zinc/13/77/20/823137720.db2.gz KELVDZJKHVPFQX-LLVKDONJSA-N -1 1 291.734 3.275 20 0 CGADMM CC(C)n1cccc(-c2cccc([O-])c2Cl)c1=O ZINC001242802029 823137986 /nfs/dbraw/zinc/13/79/86/823137986.db2.gz NBWVBJGWXJFCSD-UHFFFAOYSA-N -1 1 263.724 3.455 20 0 CGADMM COc1cc(OC)cc(-c2cc(F)c([O-])cc2F)c1 ZINC001211340463 814881683 /nfs/dbraw/zinc/88/16/83/814881683.db2.gz VHOQQCWCWUVGAE-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM COCOc1ccccc1Nc1ccc(F)c(F)c1[O-] ZINC001211568699 814910482 /nfs/dbraw/zinc/91/04/82/814910482.db2.gz QIZSZUZIZJMBDC-UHFFFAOYSA-N -1 1 281.258 3.397 20 0 CGADMM CSc1nc(Nc2ccc(N)c(C(C)C)c2)cc(=O)[n-]1 ZINC001216042407 815670489 /nfs/dbraw/zinc/67/04/89/815670489.db2.gz LJNVXLUFICJAFH-UHFFFAOYSA-N -1 1 290.392 3.353 20 0 CGADMM Cc1c(F)cncc1Nc1ccc(F)c(F)c1[O-] ZINC001216196327 815733920 /nfs/dbraw/zinc/73/39/20/815733920.db2.gz ZBCYJDQWEAEMTL-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM Cc1c(O)cccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001216319420 815779812 /nfs/dbraw/zinc/77/98/12/815779812.db2.gz WRGNJVRSOOIINH-UHFFFAOYSA-N -1 1 283.283 3.256 20 0 CGADMM Cc1ncccc1-c1noc(-c2c(F)ccc([O-])c2F)n1 ZINC001216920783 815901424 /nfs/dbraw/zinc/90/14/24/815901424.db2.gz WLDMNWZIAZIZLE-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM [O-]c1cc(O[C@@H]2CCNCC2(F)F)c(Cl)cc1Cl ZINC001218008958 816051237 /nfs/dbraw/zinc/05/12/37/816051237.db2.gz COFLQYPXYHSPBC-SNVBAGLBSA-N -1 1 298.116 3.075 20 0 CGADMM CCCC[C@H](CC)[C@@H](CC)OCC[P@](=O)([O-])O ZINC001224602231 816831777 /nfs/dbraw/zinc/83/17/77/816831777.db2.gz PDDRBKGVGQXQSI-NWDGAFQWSA-N -1 1 266.318 3.176 20 0 CGADMM [O-]c1cc(-c2ncc(C(F)(F)F)cn2)ccc1F ZINC001243048656 823225577 /nfs/dbraw/zinc/22/55/77/823225577.db2.gz MTDXAFWFJOIWAI-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM CCCSc1ncnc(-c2ccc(F)c([O-])c2)c1OC ZINC001243051714 823228400 /nfs/dbraw/zinc/22/84/00/823228400.db2.gz YDXPGEKXRIBFHC-UHFFFAOYSA-N -1 1 294.351 3.499 20 0 CGADMM C/C=C/[C@@H](OCCCC[P@](=O)([O-])O)C1CCCCC1 ZINC001225019506 816934762 /nfs/dbraw/zinc/93/47/62/816934762.db2.gz XSGJHDQBKDFWOB-JPFFYJABSA-N -1 1 290.340 3.486 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H](C)c1cccnc1F ZINC001225617945 817114106 /nfs/dbraw/zinc/11/41/06/817114106.db2.gz AVYIKGNXZJAENE-SNVBAGLBSA-N -1 1 275.279 3.269 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1OC1CCC(C)CC1 ZINC001225679407 817138160 /nfs/dbraw/zinc/13/81/60/817138160.db2.gz POLDPSJIAXOIJI-UHFFFAOYSA-N -1 1 264.321 3.258 20 0 CGADMM CC[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC001225760408 817169528 /nfs/dbraw/zinc/16/95/28/817169528.db2.gz FWPQDRRMHRSLOC-SNVBAGLBSA-N -1 1 262.334 3.001 20 0 CGADMM C[C@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)c1ccncc1 ZINC001226181771 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Cc1cc(C(=O)[O-])cc(-c2nccc3c2ccn3C)c1 ZINC001243176410 823273749 /nfs/dbraw/zinc/27/37/49/823273749.db2.gz AOIHOISXTIPHHE-UHFFFAOYSA-N -1 1 266.300 3.247 20 0 CGADMM C[C@H](Oc1[n-]c(=S)ncc1F)c1c(F)cccc1F ZINC001227385361 817636831 /nfs/dbraw/zinc/63/68/31/817636831.db2.gz KNCFZNIUJWIHLQ-LURJTMIESA-N -1 1 286.278 3.323 20 0 CGADMM C[C@@H]1OCc2c1nc(=O)[n-]c2O[C@@H]1CCCc2ccccc21 ZINC001227713398 817700796 /nfs/dbraw/zinc/70/07/96/817700796.db2.gz OGCYPOAJNQUFIM-IINYFYTJSA-N -1 1 298.342 3.230 20 0 CGADMM CC[C@@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)c1ccccc1 ZINC001227713707 817701494 /nfs/dbraw/zinc/70/14/94/817701494.db2.gz QEOLLTRCPBVFQX-ZWNOBZJWSA-N -1 1 286.331 3.304 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)nc2cnccc21)c1cccnc1 ZINC001227881909 817742396 /nfs/dbraw/zinc/74/23/96/817742396.db2.gz RKQKBGYGCQXITC-SECBINFHSA-N -1 1 284.344 3.222 20 0 CGADMM COc1ccccc1[C@H](C)Oc1cc(=O)[n-]c(SC)n1 ZINC001228090169 817808414 /nfs/dbraw/zinc/80/84/14/817808414.db2.gz JQRASZVIJRPYOL-VIFPVBQESA-N -1 1 292.360 3.053 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001228553810 817936667 /nfs/dbraw/zinc/93/66/67/817936667.db2.gz DVFFZVJEIXXGRF-IMSIIYSGSA-N -1 1 274.316 3.034 20 0 CGADMM CC(C)[C@H](C)Oc1cccnc1-c1ncccc1[O-] ZINC001231200055 818056005 /nfs/dbraw/zinc/05/60/05/818056005.db2.gz IWFUZXQHHJSZHE-NSHDSACASA-N -1 1 258.321 3.273 20 0 CGADMM CC(C)[C@@H](C)Oc1cccnc1-c1ncccc1[O-] ZINC001231200048 818056529 /nfs/dbraw/zinc/05/65/29/818056529.db2.gz IWFUZXQHHJSZHE-LLVKDONJSA-N -1 1 258.321 3.273 20 0 CGADMM C[C@H]1CCC[C@@H]1Oc1cccnc1-c1ncccc1[O-] ZINC001231202745 818057634 /nfs/dbraw/zinc/05/76/34/818057634.db2.gz XLSMDWQOXVZQBI-AAEUAGOBSA-N -1 1 270.332 3.417 20 0 CGADMM [O-]c1cc(CN2CC3(C2)CC(F)(F)C3)ccc1Cl ZINC001231733520 818160950 /nfs/dbraw/zinc/16/09/50/818160950.db2.gz XEHIHULVMIPSCI-UHFFFAOYSA-N -1 1 273.710 3.277 20 0 CGADMM [O-]c1c(F)ccc(CN2CCCC(F)(F)CC2)c1F ZINC001232931282 818476105 /nfs/dbraw/zinc/47/61/05/818476105.db2.gz LVNIFQWQUYGWPY-UHFFFAOYSA-N -1 1 277.261 3.292 20 0 CGADMM [O-]c1c(F)ccc(CN2CCc3cc(F)ccc3C2)c1F ZINC001232936451 818478188 /nfs/dbraw/zinc/47/81/88/818478188.db2.gz CTXXKWHXQIIQLZ-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM [O-]c1cc(CN2CCC[C@H]2c2cccnc2)cc(F)c1F ZINC001232969523 818486207 /nfs/dbraw/zinc/48/62/07/818486207.db2.gz RVPHKJGMEPKXPQ-AWEZNQCLSA-N -1 1 290.313 3.403 20 0 CGADMM [O-]c1cc(CN2CCC[C@@H](F)C(F)(F)C2)cc(F)c1F ZINC001232969990 818487466 /nfs/dbraw/zinc/48/74/66/818487466.db2.gz FKUOEHPNQGCMGC-LLVKDONJSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cc(CN2CCCC(F)(F)[C@@H](F)C2)cc(F)c1F ZINC001232971265 818488878 /nfs/dbraw/zinc/48/88/78/818488878.db2.gz ZHYQCNYCKTYRCY-NSHDSACASA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cc(CN2CC[C@H](C(F)(F)F)C2)cc(F)c1F ZINC001232973484 818490522 /nfs/dbraw/zinc/49/05/22/818490522.db2.gz ZZSDJCFEMGYDDZ-QMMMGPOBSA-N -1 1 281.224 3.055 20 0 CGADMM COc1ccccc1CN(C)Cc1cc(Cl)ncc1[O-] ZINC001233036527 818505524 /nfs/dbraw/zinc/50/55/24/818505524.db2.gz RGYHPAPEMAZWGB-UHFFFAOYSA-N 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LYNYDRPCLUCDII-UHFFFAOYSA-N -1 1 287.269 3.258 20 0 CGADMM COc1ccc2nccc(-c3ccc([O-])c(F)c3F)c2n1 ZINC001243342356 823356729 /nfs/dbraw/zinc/35/67/29/823356729.db2.gz HYQKAVLXESMRND-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM COc1cncc(-c2ccc([O-])c(F)c2F)c1C ZINC001243342210 823356790 /nfs/dbraw/zinc/35/67/90/823356790.db2.gz FPORQRAFRXSUPI-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CCOc1cc(-c2ccc([O-])c(F)c2F)ccn1 ZINC001243342486 823357010 /nfs/dbraw/zinc/35/70/10/823357010.db2.gz OVICNJKSSYWFHR-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM [O-]c1ccc(-c2cccc3c2OCCO3)c(F)c1F ZINC001243342906 823358340 /nfs/dbraw/zinc/35/83/40/823358340.db2.gz PKXTXXRRZWQVNQ-UHFFFAOYSA-N -1 1 264.227 3.109 20 0 CGADMM COC(=O)c1cc(OC)ccc1-c1ccc([O-])c(F)c1F ZINC001243342956 823358366 /nfs/dbraw/zinc/35/83/66/823358366.db2.gz RNAHAKYUAPPZBX-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM [O-]c1ccc(-c2cccnc2OC(F)F)c(F)c1F ZINC001243343496 823358382 /nfs/dbraw/zinc/35/83/82/823358382.db2.gz DYMBXDGKUBHFQE-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM O=c1ccc(-c2ccc([O-])c(F)c2F)cn1C1CCC1 ZINC001243343652 823359196 /nfs/dbraw/zinc/35/91/96/823359196.db2.gz LIPGCILNJHBNNX-UHFFFAOYSA-N -1 1 277.270 3.224 20 0 CGADMM Cc1ccc(F)c(-c2cc3ccccc3nn2)c1[O-] ZINC001236389536 819445695 /nfs/dbraw/zinc/44/56/95/819445695.db2.gz AQKUQMUMPBBORI-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM Cc1cc2ncnc(-c3c(F)ccc(C)c3[O-])c2[nH]1 ZINC001236392535 819447590 /nfs/dbraw/zinc/44/75/90/819447590.db2.gz SFIXCFJNJTVGAX-UHFFFAOYSA-N -1 1 257.268 3.086 20 0 CGADMM Cc1ccc(F)c(-c2ncnc3cc4c(cc32)OCO4)c1[O-] ZINC001236391572 819447621 /nfs/dbraw/zinc/44/76/21/819447621.db2.gz PBBFFDZCJBPLBV-UHFFFAOYSA-N -1 1 298.273 3.179 20 0 CGADMM Cc1ccc(F)c(-c2cc3c(cn2)C(C)(C)C(=O)N3)c1[O-] ZINC001236393603 819448853 /nfs/dbraw/zinc/44/88/53/819448853.db2.gz WTVUAPVBLONMQA-UHFFFAOYSA-N -1 1 286.306 3.131 20 0 CGADMM C[C@@H]1C(=O)Nc2ccc(-c3cc(F)cc(F)c3[O-])cc21 ZINC001243504521 823422213 /nfs/dbraw/zinc/42/22/13/823422213.db2.gz QKFKXONWRCWVIH-ZETCQYMHSA-N -1 1 275.254 3.393 20 0 CGADMM COC(=O)Cc1cccc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243503911 823422327 /nfs/dbraw/zinc/42/23/27/823422327.db2.gz LETXZNWWXQWDHE-UHFFFAOYSA-N -1 1 278.254 3.053 20 0 CGADMM Cn1ccc2ncc(-c3cc(F)cc(F)c3[O-])cc21 ZINC001243506135 823424094 /nfs/dbraw/zinc/42/40/94/823424094.db2.gz QDAVLDKVMHJFTF-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM COc1nc2[nH]ccc2cc1-c1cc(F)cc(F)c1[O-] ZINC001243506258 823424241 /nfs/dbraw/zinc/42/42/41/823424241.db2.gz RPMFXNLGTFJGNV-UHFFFAOYSA-N -1 1 276.242 3.174 20 0 CGADMM O=S1(=O)Cc2cccc(-c3ccc(Cl)c([O-])c3)c2C1 ZINC001243579223 823452893 /nfs/dbraw/zinc/45/28/93/823452893.db2.gz ZQRXIGIHKXLDJM-UHFFFAOYSA-N -1 1 294.759 3.141 20 0 CGADMM Cc1nc2c(c(-c3ccc(Cl)c([O-])c3)n1)CCC2 ZINC001243579262 823452912 /nfs/dbraw/zinc/45/29/12/823452912.db2.gz QYYLDZFILHUAMC-UHFFFAOYSA-N -1 1 260.724 3.300 20 0 CGADMM COC(=O)[C@@H](C)c1ccc(-c2ccc(Cl)c([O-])c2)nc1 ZINC001243578488 823452942 /nfs/dbraw/zinc/45/29/42/823452942.db2.gz GPSACWSBTNUVNK-VIFPVBQESA-N -1 1 291.734 3.384 20 0 CGADMM COCCOc1cncc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243581604 823454370 /nfs/dbraw/zinc/45/43/70/823454370.db2.gz KCJBOEMQWHRPJC-UHFFFAOYSA-N -1 1 279.723 3.133 20 0 CGADMM COC(=O)c1c(F)cncc1-c1ccc(Cl)c([O-])c1 ZINC001243581445 823454380 /nfs/dbraw/zinc/45/43/80/823454380.db2.gz DIIKJQMQHXILBT-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM O=c1ccc(-c2ccc(Cl)c([O-])c2)cn1-c1ccccn1 ZINC001243582721 823455023 /nfs/dbraw/zinc/45/50/23/823455023.db2.gz DYGSTHAWIBXIEJ-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM O=C1NCc2cccc(-c3ccc(Cl)c([O-])c3)c2N1 ZINC001243584430 823455728 /nfs/dbraw/zinc/45/57/28/823455728.db2.gz RYTANRZSCYHHAX-UHFFFAOYSA-N -1 1 274.707 3.348 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1ccc(F)nn1 ZINC001243607122 823465681 /nfs/dbraw/zinc/46/56/81/823465681.db2.gz NNIXUGFKANWWJS-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM Cc1cnc(-c2ccc(C(F)(F)F)cc2[O-])c(N)c1 ZINC001243608057 823465611 /nfs/dbraw/zinc/46/56/11/823465611.db2.gz TZNGWENFKKWQJT-UHFFFAOYSA-N -1 1 268.238 3.364 20 0 CGADMM Cc1cc(-c2ccc(C(=O)[O-])cc2F)cc2nc[nH]c21 ZINC001239254783 820241273 /nfs/dbraw/zinc/24/12/73/820241273.db2.gz QVORJLHTXSYNMU-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM [O-]c1ccc(F)cc1-c1cccc(OC(F)(F)F)n1 ZINC001240693297 821249913 /nfs/dbraw/zinc/24/99/13/821249913.db2.gz LOCMBPLYBUDXFM-UHFFFAOYSA-N -1 1 273.185 3.492 20 0 CGADMM CC[C@H](C)Oc1nccnc1-c1ccc([O-])c(F)c1 ZINC001240786492 821326626 /nfs/dbraw/zinc/32/66/26/821326626.db2.gz VRWUAGPQPUEMSG-VIFPVBQESA-N -1 1 262.284 3.166 20 0 CGADMM O=[P@@]([O-])(O)c1ccc(-c2ccc3ccccc3c2)cc1 ZINC001240910775 821409162 /nfs/dbraw/zinc/40/91/62/821409162.db2.gz UDPQSOXAENODPG-UHFFFAOYSA-N -1 1 284.251 3.310 20 0 CGADMM O=[P@]([O-])(O)c1ccc(-c2ccc3ccccc3c2)cc1 ZINC001240910775 821409165 /nfs/dbraw/zinc/40/91/65/821409165.db2.gz UDPQSOXAENODPG-UHFFFAOYSA-N -1 1 284.251 3.310 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccc(C)c(N)c3)ccc2[n-]1 ZINC001240964304 821450735 /nfs/dbraw/zinc/45/07/35/821450735.db2.gz MLWZMFDPXCNEJF-UHFFFAOYSA-N -1 1 295.342 3.297 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccc(C)c(N)c3)cc2[n-]1 ZINC001240964304 821450738 /nfs/dbraw/zinc/45/07/38/821450738.db2.gz MLWZMFDPXCNEJF-UHFFFAOYSA-N -1 1 295.342 3.297 20 0 CGADMM Cc1ccc(-c2ncc(C)c(NC(C)C)n2)c([O-])c1 ZINC001241028081 821502498 /nfs/dbraw/zinc/50/24/98/821502498.db2.gz ITHVJTBLLPYCNZ-UHFFFAOYSA-N -1 1 257.337 3.286 20 0 CGADMM CC(C)n1cccc(-c2c(F)cc([O-])cc2F)c1=O ZINC001241122195 821578286 /nfs/dbraw/zinc/57/82/86/821578286.db2.gz WMALJAGQDSNHCK-UHFFFAOYSA-N -1 1 265.259 3.080 20 0 CGADMM COc1ccc(-c2c(F)cc([O-])cc2F)nc1C ZINC001241124730 821581341 /nfs/dbraw/zinc/58/13/41/821581341.db2.gz LGRLLYMCJFKISS-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COc1c(F)ccc(-c2c(F)cc([O-])cc2F)c1OC ZINC001241125443 821581903 /nfs/dbraw/zinc/58/19/03/821581903.db2.gz WYOYVDGUQRHERQ-UHFFFAOYSA-N -1 1 284.233 3.494 20 0 CGADMM Cc1cc(C(F)(F)F)nc(-c2cc([O-])cc(F)c2)n1 ZINC001241256018 821676033 /nfs/dbraw/zinc/67/60/33/821676033.db2.gz KIDLZIWIFLIMQB-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc(N3CCCCC3)n2)c1F ZINC001241288943 821706378 /nfs/dbraw/zinc/70/63/78/821706378.db2.gz CJFCDJYNNRPMAL-UHFFFAOYSA-N -1 1 291.301 3.118 20 0 CGADMM [O-]c1ccc(F)c(-c2cc(-c3ccccn3)ncn2)c1F ZINC001241289920 821706395 /nfs/dbraw/zinc/70/63/95/821706395.db2.gz GBYYMTGOKAAATA-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM Cc1cc2c(c(-c3cccc4ccsc43)n1)C(=O)[N-]C2=O ZINC001241401362 821798019 /nfs/dbraw/zinc/79/80/19/821798019.db2.gz VIZUQTVIHONMPM-UHFFFAOYSA-N -1 1 294.335 3.155 20 0 CGADMM Cc1nc2cccc(-c3cc(F)cc(C(=O)[O-])c3)c2[nH]1 ZINC001241834526 822169626 /nfs/dbraw/zinc/16/96/26/822169626.db2.gz UJAJEJLYCPQTPG-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1cnc(F)cn1 ZINC001242141956 822891395 /nfs/dbraw/zinc/89/13/95/822891395.db2.gz YXZQDEHTNXRHNH-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM Cc1cc(C)nc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242148072 822894265 /nfs/dbraw/zinc/89/42/65/822894265.db2.gz LIASUFFZVQZNAQ-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM CCc1cncnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242151439 822896113 /nfs/dbraw/zinc/89/61/13/822896113.db2.gz OIELYUGVTNOZGN-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM [O-]c1ccc(-c2ncnc3scnc32)cc1C(F)(F)F ZINC001242151593 822896168 /nfs/dbraw/zinc/89/61/68/822896168.db2.gz QZAHEFAELPHBEU-UHFFFAOYSA-N -1 1 297.261 3.478 20 0 CGADMM COC(=O)c1ccc(C)cc1-c1ccc(F)cc1[O-] ZINC001242217451 822914184 /nfs/dbraw/zinc/91/41/84/822914184.db2.gz BSLZKSADWDIHEJ-UHFFFAOYSA-N -1 1 260.264 3.293 20 0 CGADMM Nc1ccc2cccc(-c3cccc(F)c3[O-])c2n1 ZINC001242352380 822961903 /nfs/dbraw/zinc/96/19/03/822961903.db2.gz VBTAEWSYCWPTCI-UHFFFAOYSA-N -1 1 254.264 3.329 20 0 CGADMM COC(=O)c1ccc(-c2cccc(F)c2[O-])c(F)c1F ZINC001242353408 822962754 /nfs/dbraw/zinc/96/27/54/822962754.db2.gz OIXWQUKECRJZPS-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM [O-]c1c(F)cccc1-c1c2ncnn2ccc1C(F)(F)F ZINC001242354085 822963354 /nfs/dbraw/zinc/96/33/54/822963354.db2.gz QKQRIHPUCPXQHB-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM CN1CCc2cccc(-c3cccc(Cl)c3[O-])c2C1=O ZINC001242365378 822969043 /nfs/dbraw/zinc/96/90/43/822969043.db2.gz BOVHCVKKWWSHBW-UHFFFAOYSA-N -1 1 287.746 3.341 20 0 CGADMM COc1cc2[nH]cnc2cc1-c1cccc(C(=O)[O-])c1F ZINC001242380263 822974773 /nfs/dbraw/zinc/97/47/73/822974773.db2.gz HAZXOERHOMUMDC-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM CCc1ccc2nc(-c3cncs3)[n-]c(=O)c2c1 ZINC001339974030 936393033 /nfs/dbraw/zinc/39/30/33/936393033.db2.gz XEFGWGMCIJNBDF-UHFFFAOYSA-N -1 1 257.318 3.021 20 0 CGADMM CC(C)(C(=O)Nc1cc([O-])c(F)cc1F)C(F)(F)F ZINC001347173124 936872552 /nfs/dbraw/zinc/87/25/52/936872552.db2.gz LBRBWMPBCHQYEN-UHFFFAOYSA-N -1 1 283.196 3.197 20 0 CGADMM CC(C)c1ccc2c(c1)[C@H](NCc1cc(C(=O)[O-])n[nH]1)CC2 ZINC001350622142 936996288 /nfs/dbraw/zinc/99/62/88/936996288.db2.gz BLVQJZJVEALQQB-OAHLLOKOSA-N -1 1 299.374 3.008 20 0 CGADMM CC(C)CCC[C@H](NCc1cc2cnccc2o1)C(=O)[O-] ZINC001353956232 937083895 /nfs/dbraw/zinc/08/38/95/937083895.db2.gz ZFHWTEFEUASYJV-AWEZNQCLSA-N -1 1 290.363 3.197 20 0 CGADMM C[C@@H]1Cc2ccccc2N1C(=O)c1cccc([O-])c1F ZINC001440843517 937334452 /nfs/dbraw/zinc/33/44/52/937334452.db2.gz NSJUHRRMPUJXBH-SNVBAGLBSA-N -1 1 271.291 3.123 20 0 CGADMM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cccc([O-])c1F ZINC001441100641 937336665 /nfs/dbraw/zinc/33/66/65/937336665.db2.gz SJQNEAVZEUSPJX-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCc2ccc(Cl)cc21 ZINC001445369350 937357158 /nfs/dbraw/zinc/35/71/58/937357158.db2.gz JJLQNZFZDGYTFY-UHFFFAOYSA-N -1 1 291.709 3.388 20 0 CGADMM Cc1ccc(NC(=O)c2ccc([O-])cn2)cc1OC(C)C ZINC001448733706 937376502 /nfs/dbraw/zinc/37/65/02/937376502.db2.gz XTXMFKRDNZBSBN-UHFFFAOYSA-N -1 1 286.331 3.135 20 0 CGADMM C[C@H](CC1CCC1)NC(=O)c1c([O-])cccc1Cl ZINC001454340713 937408008 /nfs/dbraw/zinc/40/80/08/937408008.db2.gz QGFXUXLYJXIXFI-SECBINFHSA-N -1 1 267.756 3.354 20 0 CGADMM COc1ccc(/C=C\C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001454768150 937411798 /nfs/dbraw/zinc/41/17/98/937411798.db2.gz IIMHFNCIBOPXMR-YFHOEESVSA-N -1 1 287.290 3.192 20 0 CGADMM CC[C@@H](Oc1nc(C)[n-]c(=O)c1OC)c1ccccc1F ZINC001230025628 932524501 /nfs/dbraw/zinc/52/45/01/932524501.db2.gz LLORALVPHUYWIH-GFCCVEGCSA-N -1 1 292.310 3.168 20 0 CGADMM CC[C@H](Oc1nc(C(=O)OC)c[n-]1)c1cccc(F)c1C ZINC001230281961 932551024 /nfs/dbraw/zinc/55/10/24/932551024.db2.gz MMTLXZKFOYYRRO-ZDUSSCGKSA-N -1 1 292.310 3.174 20 0 CGADMM COC(=O)c1c[n-]c(O[C@H]2Cc3cccc4cccc2c34)n1 ZINC001230280194 932551667 /nfs/dbraw/zinc/55/16/67/932551667.db2.gz NRPHOOLXTXWIOK-AWEZNQCLSA-N -1 1 294.310 3.026 20 0 CGADMM Clc1cc2[n-]c(O[C@H]3C=CCC3)nc2c(Cl)n1 ZINC001231049708 932665816 /nfs/dbraw/zinc/66/58/16/932665816.db2.gz NIPQOEFVKIMXIF-LURJTMIESA-N -1 1 270.119 3.362 20 0 CGADMM Clc1cc2nc(O[C@H]3C=CCC3)[n-]c2c(Cl)n1 ZINC001231049708 932665818 /nfs/dbraw/zinc/66/58/18/932665818.db2.gz NIPQOEFVKIMXIF-LURJTMIESA-N -1 1 270.119 3.362 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H]2C[C@@H]3CCC[C@@H]3O2)n1 ZINC001307254295 932934052 /nfs/dbraw/zinc/93/40/52/932934052.db2.gz ZCRMGEQNAYHKEN-DRZSPHRISA-N -1 1 294.420 3.184 20 0 CGADMM C[C@@H](N(C)C(=O)c1cccc([O-])c1F)C(C)(C)C ZINC001464620617 937693382 /nfs/dbraw/zinc/69/33/82/937693382.db2.gz MWVPCCVBXVGKMM-SECBINFHSA-N -1 1 253.317 3.038 20 0 CGADMM CC(C)CCC1CCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001465933128 937704846 /nfs/dbraw/zinc/70/48/46/937704846.db2.gz JBTAHQSRODWYCP-UHFFFAOYSA-N -1 1 276.380 3.076 20 0 CGADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ncc(C)cc1[O-])CCC2 ZINC001468649828 937730044 /nfs/dbraw/zinc/73/00/44/937730044.db2.gz JKKYUEDCQTWDEM-HNNXBMFYSA-N -1 1 296.370 3.211 20 0 CGADMM CC(C)(C)C(C)(C)CNC(=O)c1ccc(F)c([O-])c1 ZINC001468396742 937727414 /nfs/dbraw/zinc/72/74/14/937727414.db2.gz ULFDRIIZEVFAHB-UHFFFAOYSA-N -1 1 267.344 3.333 20 0 CGADMM COc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])c(C)c1 ZINC001469161555 937735948 /nfs/dbraw/zinc/73/59/48/937735948.db2.gz QPFLVUKJOQRPCE-UHFFFAOYSA-N -1 1 293.269 3.240 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnoc1C1CC1 ZINC001320202883 934015878 /nfs/dbraw/zinc/01/58/78/934015878.db2.gz NIXMDUVJKKFCTI-UHFFFAOYSA-N -1 1 278.695 3.163 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)C1CC=CC1 ZINC001320674531 934084354 /nfs/dbraw/zinc/08/43/54/934084354.db2.gz CGSBQPHYVVLCJZ-UHFFFAOYSA-N -1 1 282.137 3.059 20 0 CGADMM CC(C)(CNC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC001469922616 937745639 /nfs/dbraw/zinc/74/56/39/937745639.db2.gz QYCMUXSWWNFGJI-UHFFFAOYSA-N -1 1 287.334 3.239 20 0 CGADMM Cc1ccc(CCNC(=O)c2c([O-])cccc2F)cc1C ZINC001469944759 937746215 /nfs/dbraw/zinc/74/62/15/937746215.db2.gz RGODKKUGXOWEBS-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1sccc1Cl ZINC001471167496 937762130 /nfs/dbraw/zinc/76/21/30/937762130.db2.gz CLRXQAOHASEQAH-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM COc1ccc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc1 ZINC001472192305 937773902 /nfs/dbraw/zinc/77/39/02/937773902.db2.gz YSCDGSWVAJUTRD-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1ccc(F)cc1F ZINC001324444912 934505419 /nfs/dbraw/zinc/50/54/19/934505419.db2.gz UAXQDOHMIOFYBB-UWVGGRQHSA-N -1 1 271.307 3.162 20 0 CGADMM COc1ccc(C[N@@H+](C)C(C)(C)CC(=O)[O-])c(Cl)c1 ZINC001332433664 935469129 /nfs/dbraw/zinc/46/91/29/935469129.db2.gz WNGFRWCFZSSBGX-UHFFFAOYSA-N -1 1 285.771 3.034 20 0 CGADMM Cc1ccc(NC(=O)c2cccc([O-])c2F)c(C)c1 ZINC001538801650 938120710 /nfs/dbraw/zinc/12/07/10/938120710.db2.gz FRLAFVHFJJKSEB-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])cn1)c1ccc(Cl)cc1 ZINC001540625305 938132588 /nfs/dbraw/zinc/13/25/88/938132588.db2.gz NZFAMGACHOIVFZ-ZDUSSCGKSA-N -1 1 290.750 3.322 20 0 CGADMM O=C(NCc1c(F)cccc1Cl)c1cccc([O-])c1F ZINC001540787196 938133937 /nfs/dbraw/zinc/13/39/37/938133937.db2.gz YJXBOICKODLNCT-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccc([O-])cc2F)o1 ZINC001542102924 938135060 /nfs/dbraw/zinc/13/50/60/938135060.db2.gz VNGIWPFDHHOVEC-NOZJJQNGSA-N -1 1 289.306 3.178 20 0 CGADMM O=C(Nc1ccc2ncccc2c1)c1ccc(F)c([O-])c1 ZINC001542544210 938136418 /nfs/dbraw/zinc/13/64/18/938136418.db2.gz FNUFXKCDJPFUMB-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CC(C)CC[C@@H](NC(=O)c1ccc([O-])cn1)C(C)(C)C ZINC001543601870 938140683 /nfs/dbraw/zinc/14/06/83/938140683.db2.gz MKQXFOQGIHEGNE-CQSZACIVSA-N -1 1 278.396 3.368 20 0 CGADMM Cc1ccc(CNC(=O)c2ncc3ccccc3c2[O-])s1 ZINC001544352982 938144694 /nfs/dbraw/zinc/14/46/94/938144694.db2.gz RCLSFVAGFQVTPW-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM O=C(c1ccc([O-])cn1)N(CC1CCC1)c1ccccc1 ZINC001545192627 938149077 /nfs/dbraw/zinc/14/90/77/938149077.db2.gz SDAHWQTZQGPTHQ-UHFFFAOYSA-N -1 1 282.343 3.234 20 0 CGADMM C[C@@H]1C[C@H](CCNC(=O)c2ccc([O-])cn2)CC(C)(C)C1 ZINC001556428095 938203686 /nfs/dbraw/zinc/20/36/86/938203686.db2.gz BQPVHLXAAJWVBB-OLZOCXBDSA-N -1 1 290.407 3.370 20 0 CGADMM Cc1ncccc1/C=C\C(=O)Nc1ccc([O-])c(F)c1F ZINC001556592396 938204679 /nfs/dbraw/zinc/20/46/79/938204679.db2.gz KKKLODUGSJNSOO-DAXSKMNVSA-N -1 1 290.269 3.026 20 0 CGADMM Cc1ccccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001556919498 938206585 /nfs/dbraw/zinc/20/65/85/938206585.db2.gz CMIMGVHUOBBOTD-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@@H](C2CCC2)C1 ZINC001557557737 938210908 /nfs/dbraw/zinc/21/09/08/938210908.db2.gz FMRULEYNQCYRLY-CYBMUJFWSA-N -1 1 277.339 3.184 20 0 CGADMM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc([O-])c1F ZINC001557617256 938211154 /nfs/dbraw/zinc/21/11/54/938211154.db2.gz YKJOCZATQLCXKI-WDEREUQCSA-N -1 1 265.328 3.325 20 0 CGADMM Cc1cc(C)cc(CNC(=O)c2cc(C)cc(C=O)c2[O-])c1 ZINC001557631265 938211181 /nfs/dbraw/zinc/21/11/81/938211181.db2.gz JQVYZSDDKQRSCH-UHFFFAOYSA-N -1 1 297.354 3.060 20 0 CGADMM C[C@@H](CC(=O)Nc1cccc(F)c1[O-])c1ccncc1 ZINC001557957063 938212613 /nfs/dbraw/zinc/21/26/13/938212613.db2.gz PYNWIMFGSNHRRW-JTQLQIEISA-N -1 1 274.295 3.059 20 0 CGADMM CC(C)(C)c1ccc(CNC(=O)c2cc(F)ccc2[O-])o1 ZINC001557964323 938212855 /nfs/dbraw/zinc/21/28/55/938212855.db2.gz PZMDUDCMXGHLNI-UHFFFAOYSA-N -1 1 291.322 3.352 20 0 CGADMM CC(C)c1cc(NC(=O)C(=O)c2ccc([O-])cc2)ccc1O ZINC001558092974 938213513 /nfs/dbraw/zinc/21/35/13/938213513.db2.gz LBTVFNCEJFDUIJ-UHFFFAOYSA-N -1 1 299.326 3.043 20 0 CGADMM Cc1nc(C)c(C(=O)Nc2cc(F)c([O-])cc2Cl)o1 ZINC001558644706 938216928 /nfs/dbraw/zinc/21/69/28/938216928.db2.gz VCMUPGRRJORIKH-UHFFFAOYSA-N -1 1 284.674 3.042 20 0 CGADMM COc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1C ZINC001558955839 938218542 /nfs/dbraw/zinc/21/85/42/938218542.db2.gz MHAWEZBECPVQCW-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM CC(C)(C)OC1CCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001560658615 938268395 /nfs/dbraw/zinc/26/83/95/938268395.db2.gz DKYULZFFSZIPLS-UHFFFAOYSA-N -1 1 299.361 3.450 20 0 CGADMM C[C@@H]1CC(C)(C)CN1Cc1ncc(Br)cc1[O-] ZINC001560888987 938282211 /nfs/dbraw/zinc/28/22/11/938282211.db2.gz KULGFHKRNAWDHX-SECBINFHSA-N -1 1 299.212 3.170 20 0 CGADMM CC[C@H](C)CS(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC001561766897 938296531 /nfs/dbraw/zinc/29/65/31/938296531.db2.gz GMQSYSWWRZCGTA-CMPLNLGQSA-N -1 1 297.411 3.166 20 0 CGADMM O=C([O-])CCC1CCN(Cc2cc(O)cc(Cl)c2)CC1 ZINC001595023698 951328326 /nfs/dbraw/zinc/32/83/26/951328326.db2.gz VGYHXGQQXVTJGZ-UHFFFAOYSA-N -1 1 297.782 3.122 20 0 CGADMM O=C([O-])[C@@H](NCc1ccccc1)c1ccccc1Cl ZINC000037952422 957338653 /nfs/dbraw/zinc/33/86/53/957338653.db2.gz PPNVCXFQDDNBQM-AWEZNQCLSA-N -1 1 275.735 3.256 20 0 CGADMM CN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1F ZINC000062750533 957608137 /nfs/dbraw/zinc/60/81/37/957608137.db2.gz NCDXBZPAJJBBQK-UHFFFAOYSA-N -1 1 273.307 3.156 20 0 CGADMM Cc1oc(CN[C@@H](C)c2cccc(C)c2)cc1C(=O)[O-] ZINC000235523760 960454111 /nfs/dbraw/zinc/45/41/11/960454111.db2.gz UGNADHGWVHNNRU-NSHDSACASA-N -1 1 273.332 3.445 20 0 CGADMM Cc1cnc(C(=O)NCC(C)(C)Cc2ccccc2)c([O-])c1 ZINC001565745532 960813001 /nfs/dbraw/zinc/81/30/01/960813001.db2.gz LRJIAZBQZHENEK-UHFFFAOYSA-N -1 1 298.386 3.094 20 0 CGADMM CC1(C)CCC[C@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001566191710 960900894 /nfs/dbraw/zinc/90/08/94/960900894.db2.gz GCRDCXKXNZOWIF-CYBMUJFWSA-N -1 1 284.359 3.249 20 0 CGADMM C[C@@H]1CN(C(=O)c2cccc([O-])c2F)[C@H]2CCCC[C@H]12 ZINC001566798355 961017879 /nfs/dbraw/zinc/01/78/79/961017879.db2.gz GKFBZCPQMYOMEU-WZRBSPASSA-N -1 1 277.339 3.182 20 0 CGADMM CCC1(CC)CCCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001567622301 961369883 /nfs/dbraw/zinc/36/98/83/961369883.db2.gz WFKYZWMCLIDBJX-UHFFFAOYSA-N -1 1 276.380 3.220 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)c([O-])c1 ZINC001567845045 961446990 /nfs/dbraw/zinc/44/69/90/961446990.db2.gz HXBGPWIFYXKABF-ZIAGYGMSSA-N -1 1 290.407 3.430 20 0 CGADMM C[C@@H](CCNC(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001568199596 961524524 /nfs/dbraw/zinc/52/45/24/961524524.db2.gz ABUDPDYJFHQWGA-LBPRGKRZSA-N -1 1 287.334 3.455 20 0 CGADMM O=C(Nc1c(O)cccc1Cl)c1ccc([O-])c(F)c1 ZINC001569682793 961818016 /nfs/dbraw/zinc/81/80/16/961818016.db2.gz UPRBWOFVEQEMMS-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM Cc1nc(Cl)ccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001570102091 961908475 /nfs/dbraw/zinc/90/84/75/961908475.db2.gz QBNZFJMETNWVLF-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM COc1ccc(Cl)c(NC(=O)c2cccc([O-])c2F)c1 ZINC001583445426 962808680 /nfs/dbraw/zinc/80/86/80/962808680.db2.gz PVMWLCQWBQQGEA-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CC[C@](C)(NC(=O)c1cccc([O-])c1F)c1nccs1 ZINC001586525456 963110982 /nfs/dbraw/zinc/11/09/82/963110982.db2.gz RTZXCTNAXYEEFB-AWEZNQCLSA-N -1 1 294.351 3.043 20 0 CGADMM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001586481015 963113992 /nfs/dbraw/zinc/11/39/92/963113992.db2.gz PRFAHOIKWZLUBT-ZYHUDNBSSA-N -1 1 265.328 3.230 20 0 CGADMM COc1cc(C)cc(NC(=O)c2cccc([O-])c2F)c1C ZINC001586925243 963152610 /nfs/dbraw/zinc/15/26/10/963152610.db2.gz MZXIITLLONMAMB-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM Cc1ccc(F)cc1NC(=O)c1cccc([O-])c1F ZINC001586961197 963158879 /nfs/dbraw/zinc/15/88/79/963158879.db2.gz KNNRZNGGXHZUHT-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cc(Cl)cs1 ZINC001587389940 963188867 /nfs/dbraw/zinc/18/88/67/963188867.db2.gz VXQGCAWHAULWIU-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM CCO[C@@H](C(=O)Nc1cccc(F)c1[O-])c1ccccc1 ZINC001587389955 963189360 /nfs/dbraw/zinc/18/93/60/963189360.db2.gz WMQYTYAOIYJIEB-OAHLLOKOSA-N -1 1 289.306 3.248 20 0 CGADMM CC[C@H](NCc1oncc1C(=O)[O-])c1ccc(C)c(F)c1 ZINC001595305976 980453570 /nfs/dbraw/zinc/45/35/70/980453570.db2.gz PMLZKHCUHYUIBD-ZDUSSCGKSA-N -1 1 292.310 3.061 20 0 CGADMM CCC1(CC)CN([C@@H](C(=O)[O-])c2ccsc2)CCS1 ZINC001595375338 980894362 /nfs/dbraw/zinc/89/43/62/980894362.db2.gz FWIJXQYXQXKVJP-GFCCVEGCSA-N -1 1 299.461 3.481 20 0 CGADMM CCCCN(CCCC)Cc1ncc(C(=O)[O-])s1 ZINC001595744638 982408824 /nfs/dbraw/zinc/40/88/24/982408824.db2.gz IORLNWFNZZWXPN-UHFFFAOYSA-N -1 1 270.398 3.244 20 0 CGADMM CCCc1nc(C)cc(OCCCSC)c1C(=O)[O-] ZINC001596089200 983411547 /nfs/dbraw/zinc/41/15/47/983411547.db2.gz DDHYPHOVJRCDES-UHFFFAOYSA-N -1 1 283.393 3.173 20 0 CGADMM CC[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccccc1F ZINC001597349784 987488860 /nfs/dbraw/zinc/48/88/60/987488860.db2.gz ZITZHJSXXOHJIT-GJZGRUSLSA-N -1 1 288.322 3.087 20 0 CGADMM CCc1[nH]c(CN2C[C@@H](C)[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597383175 987581219 /nfs/dbraw/zinc/58/12/19/987581219.db2.gz CBOFMOCQAMXOTE-PXAZEXFGSA-N -1 1 298.386 3.468 20 0 CGADMM CCc1ccccc1CN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001597609781 988499764 /nfs/dbraw/zinc/49/97/64/988499764.db2.gz VENINTVJLCWABN-GOSISDBHSA-N -1 1 298.386 3.124 20 0 CGADMM CCc1oc(CNc2cc3c(cn2)CCC3)cc1C(=O)[O-] ZINC001597805205 989411747 /nfs/dbraw/zinc/41/17/47/989411747.db2.gz XLCXXNLNAJWHIC-UHFFFAOYSA-N -1 1 286.331 3.036 20 0 CGADMM CN(Cc1cc(C(=O)[O-])n(C)c1)Cc1ccc(Cl)s1 ZINC001598506634 992512915 /nfs/dbraw/zinc/51/29/15/992512915.db2.gz HRUVRXJVQUTWJD-UHFFFAOYSA-N -1 1 298.795 3.070 20 0 CGADMM C[C@H](N[C@@H](C)c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593196328 994154212 /nfs/dbraw/zinc/15/42/12/994154212.db2.gz HHOXAGDZBQMJBH-QWRGUYRKSA-N -1 1 259.305 3.390 20 0 CGADMM C[C@@]12CCN(Cc3cc(C(=O)[O-])ccc3F)C[C@@H]1C2(F)F ZINC001594087252 998012187 /nfs/dbraw/zinc/01/21/87/998012187.db2.gz CHIXYDUCKWUUCY-GXTWGEPZSA-N -1 1 299.292 3.001 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CC(C)(C)C[C@H]1C ZINC001594217300 998837515 /nfs/dbraw/zinc/83/75/15/998837515.db2.gz QSQTZQGCQFAQGT-RKDXNWHRSA-N -1 1 268.382 3.023 20 0 CGADMM CC(C)(CNC(=O)c1c([O-])cccc1F)CC(F)(F)F ZINC000621225887 349476520 /nfs/dbraw/zinc/47/65/20/349476520.db2.gz DLGAGRNZZHSTHK-UHFFFAOYSA-N -1 1 293.260 3.240 20 0 CGADMM CO[C@H](C)c1nc(=NCCCCC(C)(C)C)s[n-]1 ZINC000337918781 214312604 /nfs/dbraw/zinc/31/26/04/214312604.db2.gz VUQNTHLDVYXMFF-SNVBAGLBSA-N -1 1 271.430 3.296 20 0 CGADMM CO[C@@H](C)c1nc(=N[C@H](C)CCCC(F)(F)F)s[n-]1 ZINC000337943454 214324410 /nfs/dbraw/zinc/32/44/10/214324410.db2.gz DTKMOMDZRDANJX-SFYZADRCSA-N -1 1 297.346 3.200 20 0 CGADMM Cc1ccc([C@H](C)CNC(=O)c2cc(F)ccc2[O-])cc1 ZINC000622383632 349675786 /nfs/dbraw/zinc/67/57/86/349675786.db2.gz JLCXELWVNUJNLA-GFCCVEGCSA-N -1 1 287.334 3.373 20 0 CGADMM CC1(C)CCC(C)(CNC(=O)c2cncc([O-])c2)CC1 ZINC000622705769 349695823 /nfs/dbraw/zinc/69/58/23/349695823.db2.gz HPCIXTMDXYYLLW-UHFFFAOYSA-N -1 1 276.380 3.124 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(F)c2C)c1 ZINC000176504608 529548709 /nfs/dbraw/zinc/54/87/09/529548709.db2.gz IHSHDGMJNBCFAA-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM CC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccncc1 ZINC000158511777 529669027 /nfs/dbraw/zinc/66/90/27/529669027.db2.gz HIRQLODRXXCMLF-CYBMUJFWSA-N -1 1 290.750 3.322 20 0 CGADMM CC[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@H]1CCCO1 ZINC000436603687 529672076 /nfs/dbraw/zinc/67/20/76/529672076.db2.gz HXQFJPMIJRTQRP-HZPDHXFCSA-N -1 1 299.370 3.233 20 0 CGADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3ccc(F)cc3)c2)c1 ZINC000015232242 344883872 /nfs/dbraw/zinc/88/38/72/344883872.db2.gz AMIKTTFTQMRKMX-UHFFFAOYSA-N -1 1 296.301 3.256 20 0 CGADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3ccccc3C)c2)c1 ZINC000015232218 344883113 /nfs/dbraw/zinc/88/31/13/344883113.db2.gz NUFINIVAINQEFH-UHFFFAOYSA-N -1 1 292.338 3.426 20 0 CGADMM CCSc1nnc([N-]C(=O)c2ccc(Cl)o2)s1 ZINC000021281942 344893031 /nfs/dbraw/zinc/89/30/31/344893031.db2.gz NWPCTAUEASQKNF-UHFFFAOYSA-N -1 1 289.769 3.149 20 0 CGADMM C[C@H]1N(Cc2cccc([O-])c2Cl)CCOC1(C)C ZINC000351623920 219151179 /nfs/dbraw/zinc/15/11/79/219151179.db2.gz KPCKRPRPVCMPMM-SNVBAGLBSA-N -1 1 269.772 3.045 20 0 CGADMM O=S(=O)([N-]c1cc(F)ccc1Cl)c1cccs1 ZINC000076195272 345538486 /nfs/dbraw/zinc/53/84/86/345538486.db2.gz VHTJCIUVVVBMDU-UHFFFAOYSA-N -1 1 291.756 3.341 20 0 CGADMM CN(Cc1ccc(F)cc1F)C(=O)c1cc(F)ccc1[O-] ZINC000081936117 345720601 /nfs/dbraw/zinc/72/06/01/345720601.db2.gz IWBOWVATRBJIEP-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM C[C@H](c1ccc(Cl)cc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133035 345805112 /nfs/dbraw/zinc/80/51/12/345805112.db2.gz UPOKESNTZRGGNY-MFKMUULPSA-N -1 1 299.823 3.293 20 0 CGADMM CC(C)(C)c1csc(CN2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC000094969424 345900361 /nfs/dbraw/zinc/90/03/61/345900361.db2.gz ATGUCGOFMZIOOW-OAHLLOKOSA-N -1 1 296.436 3.127 20 0 CGADMM Cc1nc(CNC(=O)c2ccc(Cl)cc2[O-])sc1C ZINC000173304796 232280289 /nfs/dbraw/zinc/28/02/89/232280289.db2.gz PBTQXXVNADNVRW-UHFFFAOYSA-N -1 1 296.779 3.049 20 0 CGADMM Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111667959 345950472 /nfs/dbraw/zinc/95/04/72/345950472.db2.gz MSEHZGAKFAYXPW-SSDOTTSWSA-N -1 1 294.738 3.393 20 0 CGADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@H](C)C(C)C ZINC000584729644 346710958 /nfs/dbraw/zinc/71/09/58/346710958.db2.gz KDBMKYWYJOAKET-SNVBAGLBSA-N -1 1 253.317 3.038 20 0 CGADMM Cc1cccc2c1CCCN2C(=O)c1ccccc1[O-] ZINC000603851902 348098596 /nfs/dbraw/zinc/09/85/96/348098596.db2.gz BRNAZTOMTISEEY-UHFFFAOYSA-N -1 1 267.328 3.294 20 0 CGADMM Cc1cccc([C@@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2)c1 ZINC000273334189 192117403 /nfs/dbraw/zinc/11/74/03/192117403.db2.gz ZDTFLVKQWNERIR-CQSZACIVSA-N -1 1 299.345 3.469 20 0 CGADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1c([O-])cccc1F ZINC000608366235 348301373 /nfs/dbraw/zinc/30/13/73/348301373.db2.gz PQKHNMFDFLIRSR-ZWNOBZJWSA-N -1 1 281.327 3.065 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cnc2ccsc2c1 ZINC000608367107 348301420 /nfs/dbraw/zinc/30/14/20/348301420.db2.gz ULZHEVLTWKGMSZ-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM CCCc1ncc(C(=O)Nc2c([O-])cccc2F)s1 ZINC000608367031 348301581 /nfs/dbraw/zinc/30/15/81/348301581.db2.gz RTNYRDWMWGBPAZ-UHFFFAOYSA-N -1 1 280.324 3.193 20 0 CGADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000613512146 348614292 /nfs/dbraw/zinc/61/42/92/348614292.db2.gz OOMQLNUCLFNUBH-TZMCWYRMSA-N -1 1 297.395 3.325 20 0 CGADMM C[C@@H]1CCCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613617970 348623427 /nfs/dbraw/zinc/62/34/27/348623427.db2.gz QZRCAVPRZMJPCJ-GFCCVEGCSA-N -1 1 284.359 3.203 20 0 CGADMM CC[C@@H](C(=O)Nc1c(C)[n-][nH]c1=O)C1CCC(C)CC1 ZINC000615221180 348724425 /nfs/dbraw/zinc/72/44/25/348724425.db2.gz JIDWRBKOTOWSCX-QEWOUOOISA-N -1 1 279.384 3.215 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000615843697 348768616 /nfs/dbraw/zinc/76/86/16/348768616.db2.gz SHRXBFVUNYVTFP-OKILXGFUSA-N -1 1 296.370 3.203 20 0 CGADMM C[C@H]1[C@@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C[C@H]1C ZINC000616345482 348812687 /nfs/dbraw/zinc/81/26/87/348812687.db2.gz TXHAXQGIIYTLKD-IJLUTSLNSA-N -1 1 284.359 3.057 20 0 CGADMM CC(C)(C)C(F)(F)CNC(=O)c1c(F)ccc([O-])c1F ZINC000620613590 349393889 /nfs/dbraw/zinc/39/38/89/349393889.db2.gz NAIREMVIGSOENK-UHFFFAOYSA-N -1 1 293.260 3.082 20 0 CGADMM CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc([O-])cc1F ZINC000620577162 349388365 /nfs/dbraw/zinc/38/83/65/349388365.db2.gz QJDAVRXRWHSLLD-WDEREUQCSA-N -1 1 265.328 3.325 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCC[C@@H](C2CCCCC2)C1 ZINC000620690503 349412549 /nfs/dbraw/zinc/41/25/49/349412549.db2.gz WWNMFLVMVIJEEU-CQSZACIVSA-N -1 1 288.391 3.220 20 0 CGADMM CCc1nn(C)cc1[N-]c1nc2cc(C)ccc2o1 ZINC000271342774 191085139 /nfs/dbraw/zinc/08/51/39/191085139.db2.gz CUVAWHQOEOHTNY-UHFFFAOYSA-N -1 1 256.309 3.176 20 0 CGADMM C[C@]12CCCC[C@H]1CN2Cc1nc(=O)c2sccc2[n-]1 ZINC000626104437 350260940 /nfs/dbraw/zinc/26/09/40/350260940.db2.gz QLFZMGRGMPKLBQ-BONVTDFDSA-N -1 1 289.404 3.161 20 0 CGADMM C[C@H]1CC=CC[C@@H]1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000352217443 219367396 /nfs/dbraw/zinc/36/73/96/219367396.db2.gz JUQJZAJPUUVPEH-QWRGUYRKSA-N -1 1 287.388 3.101 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1C[C@@H]1C1CCCC1 ZINC000628960385 350626274 /nfs/dbraw/zinc/62/62/74/350626274.db2.gz OUAOHZIECYNCDM-GHMZBOCLSA-N -1 1 263.312 3.296 20 0 CGADMM CC(C)C(C)(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629379958 350685182 /nfs/dbraw/zinc/68/51/82/350685182.db2.gz UADAWHHKVYVLLJ-UHFFFAOYSA-N -1 1 287.363 3.199 20 0 CGADMM C[C@]12CCCC[C@H]1CN2C(=O)c1ccc(Cl)cc1[O-] ZINC000629614443 350719508 /nfs/dbraw/zinc/71/95/08/350719508.db2.gz JXQUNKUCLGFGQT-BONVTDFDSA-N -1 1 279.767 3.450 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CCCC2(CC2)CC1 ZINC000629643712 350727524 /nfs/dbraw/zinc/72/75/24/350727524.db2.gz YIUASCHWRUOTIK-UHFFFAOYSA-N -1 1 296.370 3.347 20 0 CGADMM Cc1ccc(CN[C@@H](C)c2nc(C(=O)[O-])cs2)s1 ZINC000630464695 350844465 /nfs/dbraw/zinc/84/44/65/350844465.db2.gz MDCYAKNEKZNRCN-QMMMGPOBSA-N -1 1 282.390 3.062 20 0 CGADMM CC(C)C(C)(C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630911465 350908029 /nfs/dbraw/zinc/90/80/29/350908029.db2.gz AFLXNVHSGOJRBH-UHFFFAOYSA-N -1 1 269.772 3.139 20 0 CGADMM CCCCOCCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024457 350927571 /nfs/dbraw/zinc/92/75/71/350927571.db2.gz UKUYQYRJGHVLAO-UHFFFAOYSA-N -1 1 282.409 3.277 20 0 CGADMM Cc1nc(SCCCOC(C)C)[n-]c(=O)c1C1CC1 ZINC000631024210 350927718 /nfs/dbraw/zinc/92/77/18/350927718.db2.gz OXKXMVSQIOBJKA-UHFFFAOYSA-N -1 1 282.409 3.275 20 0 CGADMM CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631850257 351150527 /nfs/dbraw/zinc/15/05/27/351150527.db2.gz KYVVVBCXTKTZDH-UHFFFAOYSA-N -1 1 281.324 3.074 20 0 CGADMM [O-]c1ccc(-c2noc(C3(C(F)F)CCC3)n2)c(F)c1 ZINC000632114322 351168676 /nfs/dbraw/zinc/16/86/76/351168676.db2.gz GKEBUKWLJMOQGZ-UHFFFAOYSA-N -1 1 284.237 3.268 20 0 CGADMM C[C@H]1CC[C@H](c2noc(Cc3ccc([O-])c(Cl)c3)n2)O1 ZINC000632176354 351177234 /nfs/dbraw/zinc/17/72/34/351177234.db2.gz QGSMHLYMHCBQDJ-QPUJVOFHSA-N -1 1 294.738 3.259 20 0 CGADMM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632547316 351204431 /nfs/dbraw/zinc/20/44/31/351204431.db2.gz HBLQYXVHDSGNEU-QMMMGPOBSA-N -1 1 295.351 3.320 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCCC2(CC2)CC1 ZINC000633697662 351347471 /nfs/dbraw/zinc/34/74/71/351347471.db2.gz SBTUOFDESORAJM-UHFFFAOYSA-N -1 1 293.794 3.381 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3nccc4sccc43)c(=O)c21 ZINC000634596688 351532985 /nfs/dbraw/zinc/53/29/85/351532985.db2.gz NNNYQPKKCLCJKY-QPUJVOFHSA-N -1 1 271.345 3.045 20 0 CGADMM CCCc1[n-]n(Cc2ccc(OC)cc2)c(=O)c1CC ZINC000634597162 351533236 /nfs/dbraw/zinc/53/32/36/351533236.db2.gz COQXDHAJQMGUIK-AWEZNQCLSA-N -1 1 274.364 3.220 20 0 CGADMM COc1ccc(Cn2[n-]c3c(c2=O)CCCCCC3)cc1 ZINC000634597765 351534754 /nfs/dbraw/zinc/53/47/54/351534754.db2.gz UEGJPBNZLARVPD-HNNXBMFYSA-N -1 1 286.375 3.364 20 0 CGADMM CCCc1c(C)[n-]n(Cc2ccc(F)cc2F)c1=O ZINC000634601149 351536842 /nfs/dbraw/zinc/53/68/42/351536842.db2.gz DOTDHGGPULQQQR-GFCCVEGCSA-N -1 1 266.291 3.099 20 0 CGADMM CCc1c(=O)n(-c2ccncc2C)[n-]c1-c1cccc(C)c1 ZINC000634606035 351538888 /nfs/dbraw/zinc/53/88/88/351538888.db2.gz FDTDOOMYLYKUDC-OAHLLOKOSA-N -1 1 293.370 3.476 20 0 CGADMM Cc1cc(C2(C(=O)Nc3ccc([O-])c(Cl)c3)CC2)on1 ZINC000635721171 351685843 /nfs/dbraw/zinc/68/58/43/351685843.db2.gz GTVXNDWICFLCRP-UHFFFAOYSA-N -1 1 292.722 3.012 20 0 CGADMM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ncccc1[O-] ZINC000291677815 198059954 /nfs/dbraw/zinc/05/99/54/198059954.db2.gz HIWGHNQKNSTAOO-RYUDHWBXSA-N -1 1 276.380 3.074 20 0 CGADMM C[C@@]1(F)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000336464711 213332999 /nfs/dbraw/zinc/33/29/99/213332999.db2.gz KMGKAZDBSCSGAT-MRXNPFEDSA-N -1 1 273.307 3.120 20 0 CGADMM Cc1c(O)ccc2c(C[N@H+]3C[C@H]4CCCC[C@H]43)cc(=O)oc12 ZINC000368693813 234333993 /nfs/dbraw/zinc/33/39/93/234333993.db2.gz UTOAHIUKFISCNH-IUODEOHRSA-N -1 1 299.370 3.181 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Cl)o1 ZINC000336436779 213300879 /nfs/dbraw/zinc/30/08/79/213300879.db2.gz GGXRYXRUSUVTMS-UHFFFAOYSA-N -1 1 255.632 3.030 20 0 CGADMM C[C@H](c1nc(-c2ccc([O-])cc2F)no1)C(C)(F)F ZINC000293319124 198598504 /nfs/dbraw/zinc/59/85/04/198598504.db2.gz XXTXHGLXOGDWNC-ZCFIWIBFSA-N -1 1 272.226 3.340 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CSc2ccccc21 ZINC000340326700 215540533 /nfs/dbraw/zinc/54/05/33/215540533.db2.gz AFJMBNONPPRPDY-NSHDSACASA-N -1 1 289.331 3.359 20 0 CGADMM C[C@@H](SCc1ccccc1)C(=O)Nc1ccncc1[O-] ZINC000109890832 138362320 /nfs/dbraw/zinc/36/23/20/138362320.db2.gz AIMDRELASQEQPW-LLVKDONJSA-N -1 1 288.372 3.048 20 0 CGADMM C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000424752909 236187686 /nfs/dbraw/zinc/18/76/86/236187686.db2.gz PCCGNUISIUUYKX-GXSJLCMTSA-N -1 1 251.301 3.296 20 0 CGADMM Cc1ccsc1CN[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000426713339 236306863 /nfs/dbraw/zinc/30/68/63/236306863.db2.gz FBXNRYIKVPNYQR-AWEZNQCLSA-N -1 1 275.373 3.280 20 0 CGADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccccc2C)o1 ZINC000426776666 236313596 /nfs/dbraw/zinc/31/35/96/236313596.db2.gz ZOJZUFQWMIBMBK-CQSZACIVSA-N -1 1 273.332 3.202 20 0 CGADMM Cc1ccc(F)cc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000426798450 236315515 /nfs/dbraw/zinc/31/55/15/236315515.db2.gz IXPHKYVRRVQRRQ-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM O=C([O-])[C@H](NCc1ccc(Cl)c(F)c1)c1ccsc1 ZINC000426826152 236316988 /nfs/dbraw/zinc/31/69/88/236316988.db2.gz DBEMMDFKLIORQK-GFCCVEGCSA-N -1 1 299.754 3.456 20 0 CGADMM CCn1nccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436521359 237119749 /nfs/dbraw/zinc/11/97/49/237119749.db2.gz CWYQDDUCAUPHSZ-UHFFFAOYSA-N -1 1 281.315 3.014 20 0 CGADMM O=C(Nc1cc(C2CC2)ccn1)c1cc(F)ccc1[O-] ZINC000436614932 237145535 /nfs/dbraw/zinc/14/55/35/237145535.db2.gz CHSLAPFHFHOIOJ-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM O=C(N[C@H]1CCC[C@H]1F)c1ccc(C(F)(F)F)cc1[O-] ZINC000436774136 237180017 /nfs/dbraw/zinc/18/00/17/237180017.db2.gz RTDDRXQXFMNNMT-ZJUUUORDSA-N -1 1 291.244 3.031 20 0 CGADMM O=C(NCCCc1ccccc1F)c1ccc([O-])cc1F ZINC000436917055 237207432 /nfs/dbraw/zinc/20/74/32/237207432.db2.gz YISQDMMCWJTFMI-UHFFFAOYSA-N -1 1 291.297 3.033 20 0 CGADMM CN(C(=O)c1cncc([O-])c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297433718 200188934 /nfs/dbraw/zinc/18/89/34/200188934.db2.gz ZVHVKWJUJPQZPC-DLBZAZTESA-N -1 1 296.370 3.196 20 0 CGADMM CC[C@@H](C)[C@H](NCc1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000341849729 216126362 /nfs/dbraw/zinc/12/63/62/216126362.db2.gz YDMBKGCMKSCTPW-RNCFNFMXSA-N -1 1 294.786 3.041 20 0 CGADMM C[C@H]1CCC[C@@H](C(=O)N=c2cc(-c3cccs3)[n-][nH]2)C1 ZINC000439115836 238230808 /nfs/dbraw/zinc/23/08/08/238230808.db2.gz GAYGIKPMVRUROD-WDEREUQCSA-N -1 1 289.404 3.325 20 0 CGADMM Cc1nc(SCc2nnc(C(C)C)s2)[n-]c(=O)c1C ZINC000450910359 240150508 /nfs/dbraw/zinc/15/05/08/240150508.db2.gz VWINPGOXHHHGJZ-UHFFFAOYSA-N -1 1 296.421 3.066 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@]12C[C@H]1CCC2 ZINC000335551774 212255106 /nfs/dbraw/zinc/25/51/06/212255106.db2.gz VSSAYTOQJQLFTC-AMIZOPFISA-N -1 1 251.713 3.174 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1F ZINC000485124457 243327951 /nfs/dbraw/zinc/32/79/51/243327951.db2.gz VKXCOJSCQRAMDI-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=C(NC1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000019836913 368770253 /nfs/dbraw/zinc/77/02/53/368770253.db2.gz JGSZWGSDTXOSJA-UHFFFAOYSA-N -1 1 253.729 3.108 20 0 CGADMM Cc1nc(SCc2ncc(C(C)(C)C)o2)[n-]c(=O)c1C ZINC000330668203 203096958 /nfs/dbraw/zinc/09/69/58/203096958.db2.gz CDDUVRUBMGJWJY-UHFFFAOYSA-N -1 1 293.392 3.377 20 0 CGADMM CC1(C)CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000063072963 369638646 /nfs/dbraw/zinc/63/86/46/369638646.db2.gz DVMOQBGAHCLQJH-UHFFFAOYSA-N -1 1 253.729 3.060 20 0 CGADMM CCc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000065621490 369685779 /nfs/dbraw/zinc/68/57/79/369685779.db2.gz QZUWXGYCXPIRAX-UHFFFAOYSA-N -1 1 298.342 3.165 20 0 CGADMM O=C(NCCOC1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000070167744 369785447 /nfs/dbraw/zinc/78/54/47/369785447.db2.gz NTHUKIYXKHTRGY-UHFFFAOYSA-N -1 1 297.782 3.125 20 0 CGADMM O=C([O-])[C@@H](NCc1ccccc1Cl)c1ccc(F)cc1 ZINC000074404063 369877698 /nfs/dbraw/zinc/87/76/98/369877698.db2.gz BUYLBEMWDQTMCM-AWEZNQCLSA-N -1 1 293.725 3.395 20 0 CGADMM O=C([O-])CC[C@H]1CCCCN1Cc1c(F)cccc1F ZINC000086755484 370021855 /nfs/dbraw/zinc/02/18/55/370021855.db2.gz WSHDYWIGSDYGLQ-LLVKDONJSA-N -1 1 283.318 3.184 20 0 CGADMM CC(C)C1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080031387 369981842 /nfs/dbraw/zinc/98/18/42/369981842.db2.gz CHQZKLRWCBKIAT-UHFFFAOYSA-N -1 1 265.328 3.040 20 0 CGADMM CCN(C(=O)c1cncc([O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000111775732 370406263 /nfs/dbraw/zinc/40/62/63/370406263.db2.gz ZSHMVHVJIFGOHK-LLVKDONJSA-N -1 1 288.322 3.150 20 0 CGADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ncccc2[O-])C1 ZINC000131739089 371126739 /nfs/dbraw/zinc/12/67/39/371126739.db2.gz WQQGGSCGBTVJII-ZIAGYGMSSA-N -1 1 296.370 3.114 20 0 CGADMM O=C(NCc1cccc(Cl)c1)c1cc(F)ccc1[O-] ZINC000149009165 371526031 /nfs/dbraw/zinc/52/60/31/371526031.db2.gz URCPCCBOWVLLLI-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM CC[C@H]1C[C@@H](NC(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000421660610 371596913 /nfs/dbraw/zinc/59/69/13/371596913.db2.gz CSQVMXBVRGIGCX-GJZGRUSLSA-N -1 1 299.370 3.233 20 0 CGADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc([O-])cc1F ZINC000154928431 371891801 /nfs/dbraw/zinc/89/18/01/371891801.db2.gz VXRPKKIYCKLOKD-DZGCQCFKSA-N -1 1 277.339 3.230 20 0 CGADMM O=C(NC1CCC2(CC2)CC1)c1c(F)ccc([O-])c1F ZINC000290070563 371894305 /nfs/dbraw/zinc/89/43/05/371894305.db2.gz FUJBXDMIWRAVOW-UHFFFAOYSA-N -1 1 281.302 3.123 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCc2c1cccc2Cl ZINC000154983106 371895746 /nfs/dbraw/zinc/89/57/46/371895746.db2.gz XFAXFEYMMMHRHY-UHFFFAOYSA-N -1 1 291.709 3.388 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](C2CC2)C1 ZINC000290808136 372054995 /nfs/dbraw/zinc/05/49/95/372054995.db2.gz FVJCIYCUQIRBLQ-NSHDSACASA-N -1 1 279.767 3.308 20 0 CGADMM CCCc1nc(CN2CCC[C@H](CCC(=O)[O-])C2)cs1 ZINC000043585115 541873217 /nfs/dbraw/zinc/87/32/17/541873217.db2.gz IUVNBMBSCVRMJG-GFCCVEGCSA-N -1 1 296.436 3.172 20 0 CGADMM COC[C@@H](NCc1cccc([O-])c1Cl)c1ccc(C)o1 ZINC000293631911 372431749 /nfs/dbraw/zinc/43/17/49/372431749.db2.gz RCWWFTAQDHEFIP-GFCCVEGCSA-N -1 1 295.766 3.424 20 0 CGADMM Cc1csc(CNCc2cccc([O-])c2Cl)n1 ZINC000293954491 372536535 /nfs/dbraw/zinc/53/65/35/372536535.db2.gz CATIYWRHUFYCBU-UHFFFAOYSA-N -1 1 268.769 3.100 20 0 CGADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)CC(C)(C)O1 ZINC000295506402 372807089 /nfs/dbraw/zinc/80/70/89/372807089.db2.gz YVNUJGQRZYHCNM-SNVBAGLBSA-N -1 1 269.772 3.045 20 0 CGADMM CCC[C@H](C)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442658201 373062757 /nfs/dbraw/zinc/06/27/57/373062757.db2.gz UASDUBVSCZTTJQ-VIFPVBQESA-N -1 1 285.771 3.315 20 0 CGADMM CC(C)C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000175262595 373441130 /nfs/dbraw/zinc/44/11/30/373441130.db2.gz OQRUWSCIGZSVSD-LLVKDONJSA-N -1 1 265.328 3.040 20 0 CGADMM C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(-c2cccnc2)cc1 ZINC000176658777 373620617 /nfs/dbraw/zinc/62/06/17/373620617.db2.gz RSBDJBZZXPCDRA-SNVBAGLBSA-N -1 1 294.276 3.488 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCCC1 ZINC000128091857 296205999 /nfs/dbraw/zinc/20/59/99/296205999.db2.gz OPXNKJDDWKULKS-UHFFFAOYSA-N -1 1 273.254 3.037 20 0 CGADMM Cc1nc(-c2ccc(N3CCCC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000301525349 373783006 /nfs/dbraw/zinc/78/30/06/373783006.db2.gz IRLFAMWBSPSIJD-NSHDSACASA-N -1 1 298.390 3.240 20 0 CGADMM CC(C)Cc1nsc([N-]c2cnn(C(C)C)c2)n1 ZINC000302313933 373851043 /nfs/dbraw/zinc/85/10/43/373851043.db2.gz UKGIJSAJDRIYQI-UHFFFAOYSA-N -1 1 265.386 3.258 20 0 CGADMM Cc1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)no1 ZINC000180348308 373992994 /nfs/dbraw/zinc/99/29/94/373992994.db2.gz WVQJBTXXNBDVCE-UHFFFAOYSA-N -1 1 272.638 3.167 20 0 CGADMM Cc1ccccc1[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000181043350 374071949 /nfs/dbraw/zinc/07/19/49/374071949.db2.gz XFGIUZRXRNGLHB-LLVKDONJSA-N -1 1 273.307 3.331 20 0 CGADMM O=C(NCCC[C@@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000183491438 374420681 /nfs/dbraw/zinc/42/06/81/374420681.db2.gz MJOSLIPXBNEYAG-LBPRGKRZSA-N -1 1 297.782 3.125 20 0 CGADMM COc1cc(C(=O)Nc2c([O-])cccc2F)ccc1Cl ZINC000089493386 541953301 /nfs/dbraw/zinc/95/33/01/541953301.db2.gz ICYNQISFPKXLOX-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM C[C@@H]1CC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000331528083 374541559 /nfs/dbraw/zinc/54/15/59/374541559.db2.gz GDTNLECMWBNFTK-RKDXNWHRSA-N -1 1 262.284 3.485 20 0 CGADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H]1CCCOC1 ZINC000332508694 374579395 /nfs/dbraw/zinc/57/93/95/374579395.db2.gz UDMXSAOWMXEVIQ-DOMZBBRYSA-N -1 1 299.370 3.090 20 0 CGADMM Cc1cccc(OCCC(=O)Nc2c([O-])cccc2F)c1 ZINC000092550641 541975228 /nfs/dbraw/zinc/97/52/28/541975228.db2.gz AMHSUBDKAJFUJI-UHFFFAOYSA-N -1 1 289.306 3.247 20 0 CGADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000456776680 374619967 /nfs/dbraw/zinc/61/99/67/374619967.db2.gz DXIIKGAGMFVXPO-ZJUUUORDSA-N -1 1 299.317 3.204 20 0 CGADMM CC(=O)[C@@H](C)CCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456782810 374621382 /nfs/dbraw/zinc/62/13/82/374621382.db2.gz KOSXBPOTZQDCQL-VIFPVBQESA-N -1 1 299.317 3.394 20 0 CGADMM CC(C)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)on1 ZINC000334376269 374696552 /nfs/dbraw/zinc/69/65/52/374696552.db2.gz DYJAWDLCFDNADD-UHFFFAOYSA-N -1 1 280.711 3.409 20 0 CGADMM CCOc1cc(C(=O)Nc2ccncc2)cc(Cl)c1[O-] ZINC000186423013 374848448 /nfs/dbraw/zinc/84/84/48/374848448.db2.gz YGZYUYFFFPSMPO-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM CC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCC(=O)CC1 ZINC000334650611 374942262 /nfs/dbraw/zinc/94/22/62/374942262.db2.gz FWQGNPALLRQCJX-UHFFFAOYSA-N -1 1 281.739 3.134 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H]1C1CC1 ZINC000334665418 374953038 /nfs/dbraw/zinc/95/30/38/374953038.db2.gz GOHMXHNJFGCXSF-HNNXBMFYSA-N -1 1 267.328 3.170 20 0 CGADMM Cc1noc(C(C)C)c1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335020831 375075553 /nfs/dbraw/zinc/07/55/53/375075553.db2.gz IRNBUFDTMJMULO-UHFFFAOYSA-N -1 1 296.273 3.343 20 0 CGADMM CC1(C(=O)Nc2ccc([O-])c(F)c2F)CCCC1 ZINC000335020824 375075742 /nfs/dbraw/zinc/07/57/42/375075742.db2.gz IJBDRCDJOOSYDW-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM CO[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CC[C@@H]1C ZINC000188003278 375137448 /nfs/dbraw/zinc/13/74/48/375137448.db2.gz KDJANVJRKKDLBY-LRDDRELGSA-N -1 1 299.370 3.042 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H](C)c2cccc(C)c2)n1 ZINC000188124852 375161811 /nfs/dbraw/zinc/16/18/11/375161811.db2.gz HGBHHPDJDKWJHE-LLVKDONJSA-N -1 1 274.389 3.494 20 0 CGADMM COc1cc(C(=O)N2CCC[C@@H]2C(C)C)cc(Cl)c1[O-] ZINC000335703161 375359879 /nfs/dbraw/zinc/35/98/79/375359879.db2.gz UEELBSSVRKBRSJ-GFCCVEGCSA-N -1 1 297.782 3.315 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ncoc1C1CC1 ZINC000335936469 375551352 /nfs/dbraw/zinc/55/13/52/375551352.db2.gz ZBBXCJOXZAWWON-UHFFFAOYSA-N -1 1 278.695 3.163 20 0 CGADMM Cc1ccc(F)c(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000335946139 375560712 /nfs/dbraw/zinc/56/07/12/375560712.db2.gz HLICOPHDPBRGSH-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@@H]2c2ccsc2)c([O-])c1 ZINC000336109021 375691535 /nfs/dbraw/zinc/69/15/35/375691535.db2.gz LAPBTCYMRLXIMC-GFCCVEGCSA-N -1 1 288.372 3.134 20 0 CGADMM CC(C)[C@H]1CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000336144033 375723849 /nfs/dbraw/zinc/72/38/49/375723849.db2.gz CIMSKSIAUSSZCQ-LLVKDONJSA-N -1 1 298.180 3.025 20 0 CGADMM [O-]c1cccc(CN2CCc3ccc(O)cc3C2)c1Cl ZINC000507566416 375715181 /nfs/dbraw/zinc/71/51/81/375715181.db2.gz LEYDBYOICIBCEO-UHFFFAOYSA-N -1 1 289.762 3.310 20 0 CGADMM Cc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000336135695 375715248 /nfs/dbraw/zinc/71/52/48/375715248.db2.gz NBKZSNSLYMQDIG-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@@H]1C[C@@H](C)N1C(=O)c1cc2ccccc2cc1[O-] ZINC000336157522 375734296 /nfs/dbraw/zinc/73/42/96/375734296.db2.gz CTJDTUGPICFRGM-GHMZBOCLSA-N -1 1 255.317 3.168 20 0 CGADMM COc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000336170876 375747036 /nfs/dbraw/zinc/74/70/36/375747036.db2.gz IBBKZKVIFHUAFA-ZJUUUORDSA-N -1 1 297.782 3.315 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN(C)Cc1ccsc1 ZINC000155955650 542125714 /nfs/dbraw/zinc/12/57/14/542125714.db2.gz GFKYJFVWXWCWRJ-UHFFFAOYSA-N -1 1 281.402 3.448 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)c(F)c1 ZINC000154617355 542118746 /nfs/dbraw/zinc/11/87/46/542118746.db2.gz OEGHALIBHXDYPC-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM CCOc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340327754 377003311 /nfs/dbraw/zinc/00/33/11/377003311.db2.gz DTHQTUCTUBPQHC-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM C[C@H]1CC[C@@H](CC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000340328755 377004695 /nfs/dbraw/zinc/00/46/95/377004695.db2.gz QVAUICWOBAKVKQ-VHSXEESVSA-N -1 1 251.301 3.296 20 0 CGADMM Cc1ccc(-c2ccc(CN(C)[C@H](C)C(=O)[O-])o2)cc1 ZINC000263427007 377935116 /nfs/dbraw/zinc/93/51/16/377935116.db2.gz QYAFBGNIUBHSTO-GFCCVEGCSA-N -1 1 273.332 3.160 20 0 CGADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(F)c(Cl)c1Cl ZINC000263429371 377935222 /nfs/dbraw/zinc/93/52/22/377935222.db2.gz RPHSNMVDBRHPPU-ZCFIWIBFSA-N -1 1 280.126 3.037 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(F)c(Cl)c1 ZINC000263459259 377939831 /nfs/dbraw/zinc/93/98/31/377939831.db2.gz BJBCSHQFLXXOAZ-MWLCHTKSSA-N -1 1 285.746 3.164 20 0 CGADMM CC1(C)CN(C(=O)c2cc3ccccc3cc2[O-])CCCO1 ZINC000370667840 379050236 /nfs/dbraw/zinc/05/02/36/379050236.db2.gz QIZFTZHHCDIPRE-UHFFFAOYSA-N -1 1 299.370 3.187 20 0 CGADMM CC[C@H]1CC[C@H](c2nc(-c3ccc([O-])cc3F)no2)O1 ZINC000278263695 379330559 /nfs/dbraw/zinc/33/05/59/379330559.db2.gz UZVNFAMELAIGNL-JOYOIKCWSA-N -1 1 278.283 3.211 20 0 CGADMM CCCCOCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278138493 379300193 /nfs/dbraw/zinc/30/01/93/379300193.db2.gz KZRQYUJEVISJOI-UHFFFAOYSA-N -1 1 282.727 3.412 20 0 CGADMM C[C@@H]1C[C@@H](c2nc(-c3ccc([O-])cc3F)no2)C[C@H](C)O1 ZINC000350818194 379589796 /nfs/dbraw/zinc/58/97/96/379589796.db2.gz YSZPPFVUVIPCRZ-ILWJIGKKSA-N -1 1 292.310 3.252 20 0 CGADMM Cc1nc(C)c(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000350819597 379589979 /nfs/dbraw/zinc/58/99/79/379589979.db2.gz RIFYSNKWTJEMSW-UHFFFAOYSA-N -1 1 291.307 3.322 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3OC[C@@H]4CCC[C@@H]43)n2)cc1F ZINC000350571010 379563960 /nfs/dbraw/zinc/56/39/60/379563960.db2.gz WPTIKCNAEJPMTC-OUJBWJOFSA-N -1 1 290.294 3.069 20 0 CGADMM CC[C@@H](C)CN(C)C(=O)N=c1[n-]sc2ccccc21 ZINC000640342779 379770464 /nfs/dbraw/zinc/77/04/64/379770464.db2.gz PZMRRCFWDYDLHD-SNVBAGLBSA-N -1 1 277.393 3.228 20 0 CGADMM CC(C)[C@H]1CCN(C(=O)N=c2[n-]sc3ccccc32)C1 ZINC000640342187 379770580 /nfs/dbraw/zinc/77/05/80/379770580.db2.gz MRVFQJFVMSHFLX-NSHDSACASA-N -1 1 289.404 3.228 20 0 CGADMM CC(C)C[C@@H](N)c1noc(-c2ccc([O-])c(Cl)c2)n1 ZINC000414616824 380336989 /nfs/dbraw/zinc/33/69/89/380336989.db2.gz KGNZPPUTPCHPMK-SNVBAGLBSA-N -1 1 281.743 3.142 20 0 CGADMM O=C([O-])[C@H]1C=C[C@H](NCc2cc(Cl)sc2Cl)C1 ZINC000417616933 380653610 /nfs/dbraw/zinc/65/36/10/380653610.db2.gz HTCYSVNWSVIEEL-XPUUQOCRSA-N -1 1 292.187 3.174 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2cc[nH]c2n1 ZINC000357383180 381137220 /nfs/dbraw/zinc/13/72/20/381137220.db2.gz XNGFINJJAYPHNK-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM Cc1nc(-c2ccc(N[C@@H](C)C3CC3)nc2)[n-]c(=O)c1C ZINC000362733279 382110692 /nfs/dbraw/zinc/11/06/92/382110692.db2.gz BAGHZIPTWBNFQR-NSHDSACASA-N -1 1 284.363 3.071 20 0 CGADMM CCOc1cc(C(=O)N(C)[C@H](C)C2CC2)cc(Cl)c1[O-] ZINC000574145951 322425219 /nfs/dbraw/zinc/42/52/19/322425219.db2.gz NHZCGWKJEKGOEQ-SECBINFHSA-N -1 1 297.782 3.315 20 0 CGADMM CCOC1CC(c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000289137052 197244227 /nfs/dbraw/zinc/24/42/27/197244227.db2.gz RQRRUQBOOFNICV-UHFFFAOYSA-N -1 1 294.738 3.378 20 0 CGADMM O=C([O-])CC[C@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000308346392 542422377 /nfs/dbraw/zinc/42/23/77/542422377.db2.gz AYGKROHFXAGGFU-SNVBAGLBSA-N -1 1 287.812 3.478 20 0 CGADMM Cc1cnc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2)c([O-])c1 ZINC000343633531 542501698 /nfs/dbraw/zinc/50/16/98/542501698.db2.gz TZMAEVVRKLKFDD-UKRRQHHQSA-N -1 1 296.370 3.319 20 0 CGADMM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436589403 533227062 /nfs/dbraw/zinc/22/70/62/533227062.db2.gz KNGHHVDICUUVCJ-HOTGVXAUSA-N -1 1 299.370 3.233 20 0 CGADMM [O-]c1ccc(-c2noc(-c3coc(C4CC4)n3)n2)cc1F ZINC000350603576 542534880 /nfs/dbraw/zinc/53/48/80/542534880.db2.gz FKGPIHINPINZJO-UHFFFAOYSA-N -1 1 287.250 3.114 20 0 CGADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc([O-])cc1F ZINC000436820993 533530500 /nfs/dbraw/zinc/53/05/00/533530500.db2.gz JLZZKVAPLTVSSA-QMMMGPOBSA-N -1 1 293.260 3.382 20 0 CGADMM CCC(CC)C[N-]S(=O)(=O)c1sccc1Cl ZINC000451170691 542674859 /nfs/dbraw/zinc/67/48/59/542674859.db2.gz GGAXBDKGCHKXAT-UHFFFAOYSA-N -1 1 281.830 3.116 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000112333444 392381590 /nfs/dbraw/zinc/38/15/90/392381590.db2.gz ILHCMFMEQKLPBO-UHFFFAOYSA-N -1 1 281.764 3.449 20 0 CGADMM Cc1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)cc1O ZINC000468953815 542700095 /nfs/dbraw/zinc/70/00/95/542700095.db2.gz LYSDMCYPBYNRDH-UHFFFAOYSA-N -1 1 266.300 3.325 20 0 CGADMM COc1cc(C(=O)N2CCC[C@H](C)CC2)cc(Cl)c1[O-] ZINC000153689872 392526790 /nfs/dbraw/zinc/52/67/90/392526790.db2.gz XJUKBFYLNMPTGQ-JTQLQIEISA-N -1 1 297.782 3.316 20 0 CGADMM O=C([O-])[C@@H]1CC[C@H](N[C@@H](CCc2ccccc2)C(F)F)C1 ZINC000647468643 392731733 /nfs/dbraw/zinc/73/17/33/392731733.db2.gz VDFZBEGTWHQNPQ-RDBSUJKOSA-N -1 1 297.345 3.096 20 0 CGADMM CCCC[C@@H]1CCC[C@@H]1N=c1nc([C@@H](C)OC)[n-]s1 ZINC000509677872 392766607 /nfs/dbraw/zinc/76/66/07/392766607.db2.gz CATSAXRAPVBCEA-UTUOFQBUSA-N -1 1 283.441 3.438 20 0 CGADMM CCOc1cc(C(=O)NCCC(C)C)cc(Cl)c1[O-] ZINC000192507965 392852419 /nfs/dbraw/zinc/85/24/19/392852419.db2.gz DNLYFCRCWPHIDV-UHFFFAOYSA-N -1 1 285.771 3.220 20 0 CGADMM O=C(C[C@H]1C=CCCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000547665120 393135172 /nfs/dbraw/zinc/13/51/72/393135172.db2.gz QQQIDDGNASGYOQ-LBPRGKRZSA-N -1 1 297.358 3.467 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(C2CC2)CC1 ZINC000646758050 393316604 /nfs/dbraw/zinc/31/66/04/393316604.db2.gz CDQLHBSNEIISHT-UHFFFAOYSA-N -1 1 279.767 3.308 20 0 CGADMM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000360887795 393606503 /nfs/dbraw/zinc/60/65/03/393606503.db2.gz LGRYAOKSKLWVIV-NXEZZACHSA-N -1 1 291.363 3.068 20 0 CGADMM CC(C)c1ccc2nc(-c3cc[nH]c3)[n-]c(=O)c2c1 ZINC000360926527 393616899 /nfs/dbraw/zinc/61/68/99/393616899.db2.gz SKVLHPROSAXTSD-UHFFFAOYSA-N -1 1 253.305 3.454 20 0 CGADMM COC(=O)c1c[n-]c(SC[C@H]2CCC[C@H](C)C2)n1 ZINC000432667284 393626174 /nfs/dbraw/zinc/62/61/74/393626174.db2.gz LQOUPVLORZRBJR-UWVGGRQHSA-N -1 1 268.382 3.115 20 0 CGADMM Cc1ccc(CCc2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000445481922 393799077 /nfs/dbraw/zinc/79/90/77/393799077.db2.gz MUDLRLGLMYNJLM-UHFFFAOYSA-N -1 1 288.278 3.268 20 0 CGADMM CC(C)[C@@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000667207824 542853281 /nfs/dbraw/zinc/85/32/81/542853281.db2.gz CSWKQHPAVZPFDI-AWEZNQCLSA-N -1 1 284.359 3.201 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1C2CCCC1CCC2 ZINC000669233267 543095269 /nfs/dbraw/zinc/09/52/69/543095269.db2.gz ZDPGGGIHOWAGID-UHFFFAOYSA-N -1 1 296.370 3.488 20 0 CGADMM C[C@@H](C(=O)Nc1c([O-])cccc1F)C1CCCC1 ZINC000674136706 543273452 /nfs/dbraw/zinc/27/34/52/543273452.db2.gz QBFHDZMXTCFKIL-SECBINFHSA-N -1 1 251.301 3.296 20 0 CGADMM CC(C)c1ncc(C(=O)Nc2c([O-])cccc2F)s1 ZINC000676539796 543404679 /nfs/dbraw/zinc/40/46/79/543404679.db2.gz YYIIFWAVGBLIHT-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM CC(C)c1cc(C(=O)Nc2c([O-])cccc2F)cc(=O)[nH]1 ZINC000678798026 543560516 /nfs/dbraw/zinc/56/05/16/543560516.db2.gz GNLREEQXXAEASD-UHFFFAOYSA-N -1 1 290.294 3.008 20 0 CGADMM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2cncc([O-])c2)C1 ZINC000342761956 296746844 /nfs/dbraw/zinc/74/68/44/296746844.db2.gz WHCYKFYSFBBUOZ-CXAGYDPISA-N -1 1 296.370 3.401 20 0 CGADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000075082633 287021568 /nfs/dbraw/zinc/02/15/68/287021568.db2.gz PSRREGVZIOLOLR-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000070284591 165058029 /nfs/dbraw/zinc/05/80/29/165058029.db2.gz ASVZXTLSMDYQAE-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccs1 ZINC000070284593 165059959 /nfs/dbraw/zinc/05/99/59/165059959.db2.gz LDBFBGJWFVDUIA-UHFFFAOYSA-N -1 1 285.328 3.096 20 0 CGADMM CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc2[nH]nnc2c1 ZINC000110729234 287131852 /nfs/dbraw/zinc/13/18/52/287131852.db2.gz PJKYNPWLOFMGHA-DGCLKSJQSA-N -1 1 286.379 3.047 20 0 CGADMM [O-]c1c(-c2nc(-c3cnccn3)no2)ccc2ccccc21 ZINC000109037463 287127591 /nfs/dbraw/zinc/12/75/91/287127591.db2.gz XDIQTKIEOZAUAD-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM C[C@@H](Cc1ccccc1F)NC(=O)c1c([O-])cccc1F ZINC000120568270 287183878 /nfs/dbraw/zinc/18/38/78/287183878.db2.gz LVVVHZZNYMFRPI-JTQLQIEISA-N -1 1 291.297 3.031 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cc(C)ccc2C)n1 ZINC000005154968 170071452 /nfs/dbraw/zinc/07/14/52/170071452.db2.gz KSQDSYRVHRWNPK-UHFFFAOYSA-N -1 1 274.389 3.241 20 0 CGADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000021791174 171323853 /nfs/dbraw/zinc/32/38/53/171323853.db2.gz YBBXYLZWQKXBHP-SKDRFNHKSA-N -1 1 267.756 3.354 20 0 CGADMM CCc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000128599989 287314341 /nfs/dbraw/zinc/31/43/41/287314341.db2.gz HBEFTLUKUWQISA-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM CCC(CC)CN(CC)C(=O)c1cc(F)ccc1[O-] ZINC000128622407 287315061 /nfs/dbraw/zinc/31/50/61/287315061.db2.gz PAUUCGPQJQFESC-UHFFFAOYSA-N -1 1 267.344 3.430 20 0 CGADMM CCCN(CC(F)(F)F)C(=O)c1ccc(Cl)cc1[O-] ZINC000048090835 416444986 /nfs/dbraw/zinc/44/49/86/416444986.db2.gz NVUOXNUFOUNJJO-UHFFFAOYSA-N -1 1 295.688 3.460 20 0 CGADMM CC[C@@H]1C[C@H](CC(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679812721 543661889 /nfs/dbraw/zinc/66/18/89/543661889.db2.gz PBYKGDNTDOPLDQ-GHMZBOCLSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cncc([O-])c2)CC12CCCCC2 ZINC000680941939 543748355 /nfs/dbraw/zinc/74/83/55/543748355.db2.gz RGKZNVGVPQQKOL-CYBMUJFWSA-N -1 1 288.391 3.220 20 0 CGADMM Cc1cccc(CNC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000130384705 287353992 /nfs/dbraw/zinc/35/39/92/287353992.db2.gz NDZYFOVVJIMTKN-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM CC1(C)CCC[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000681344607 543782456 /nfs/dbraw/zinc/78/24/56/543782456.db2.gz HQTFSPHEKAKKPC-SECBINFHSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@H]1CCC[C@@H](CNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681021286 543758331 /nfs/dbraw/zinc/75/83/31/543758331.db2.gz SJKMOFKOXHLUBR-WDEREUQCSA-N -1 1 265.328 3.087 20 0 CGADMM O=C(Nc1ccc2scnc2c1)c1ccc([O-])c(F)c1 ZINC000681037763 543759519 /nfs/dbraw/zinc/75/95/19/543759519.db2.gz LKGHXDJNUKHBCC-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM O=C(Nc1cccc2[nH]ccc21)c1ccc([O-])c(F)c1 ZINC000681040128 543759920 /nfs/dbraw/zinc/75/99/20/543759920.db2.gz YNLDLSGSSXULFD-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM CC(C)C[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681055342 543762134 /nfs/dbraw/zinc/76/21/34/543762134.db2.gz FXWSFIHMIHMKCY-LBPRGKRZSA-N -1 1 279.355 3.430 20 0 CGADMM CC1(CNC(=O)c2ccc([O-])c(F)c2)CCCCC1 ZINC000681055460 543762177 /nfs/dbraw/zinc/76/21/77/543762177.db2.gz JNPBNLZEFGFBAJ-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCc2c1cccc2Cl ZINC000681055707 543762445 /nfs/dbraw/zinc/76/24/45/543762445.db2.gz QZCPMITTWFTHPV-UHFFFAOYSA-N -1 1 291.709 3.388 20 0 CGADMM COc1cc(C(=O)N2CCC3(CC3)CC2)cc(Cl)c1[O-] ZINC000682361225 543837180 /nfs/dbraw/zinc/83/71/80/543837180.db2.gz PZPXMKMWXJNUKH-UHFFFAOYSA-N -1 1 295.766 3.070 20 0 CGADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc([O-])cc1F ZINC000275082659 287377703 /nfs/dbraw/zinc/37/77/03/287377703.db2.gz FQNDCFOXNONVSC-NXEZZACHSA-N -1 1 265.328 3.086 20 0 CGADMM CSC[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000131436788 287379899 /nfs/dbraw/zinc/37/98/99/287379899.db2.gz IJWVZBBVNZKQEU-SNVBAGLBSA-N -1 1 275.373 3.027 20 0 CGADMM C[C@@H](c1ccco1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000683592708 543927936 /nfs/dbraw/zinc/92/79/36/543927936.db2.gz NGALWGDDXNAIMF-QMMMGPOBSA-N -1 1 274.251 3.326 20 0 CGADMM CC1(CC(=O)Nc2c([O-])cccc2F)CCCC1 ZINC000685435828 544070304 /nfs/dbraw/zinc/07/03/04/544070304.db2.gz MVNAPIUNDXGBFN-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM CC1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000132815627 287411422 /nfs/dbraw/zinc/41/14/22/287411422.db2.gz AZOFMHJWVRJUCT-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccoc1C(=O)[O-] ZINC000652385092 418959946 /nfs/dbraw/zinc/95/99/46/418959946.db2.gz BZBGVOLYFWOBJR-VIFPVBQESA-N -1 1 295.285 3.449 20 0 CGADMM CC[C@H](CC(F)F)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659790667 418992305 /nfs/dbraw/zinc/99/23/05/418992305.db2.gz JPPRZAOKPDVGDP-SNVBAGLBSA-N -1 1 283.318 3.382 20 0 CGADMM CCc1ncc(C(=O)[N-]c2ncccc2SC)s1 ZINC000652875889 418997703 /nfs/dbraw/zinc/99/77/03/418997703.db2.gz AUZCXYHTWYKSGT-UHFFFAOYSA-N -1 1 279.390 3.075 20 0 CGADMM O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1ccc([O-])c(F)c1 ZINC000665639625 419143766 /nfs/dbraw/zinc/14/37/66/419143766.db2.gz VFLGESCSIPFDKO-STQMWFEESA-N -1 1 277.339 3.087 20 0 CGADMM CC(C)CCN(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000666182374 419196160 /nfs/dbraw/zinc/19/61/60/419196160.db2.gz HKJFXRARAMFZQC-UHFFFAOYSA-N -1 1 272.348 3.059 20 0 CGADMM CC(C)CN(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000666028556 419181445 /nfs/dbraw/zinc/18/14/45/419181445.db2.gz WSFXEBKCAOGKAL-UHFFFAOYSA-N -1 1 284.359 3.201 20 0 CGADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ncccc1F ZINC000191006866 287585464 /nfs/dbraw/zinc/58/54/64/287585464.db2.gz KNAORBRHTXANEP-UHFFFAOYSA-N -1 1 294.351 3.145 20 0 CGADMM CC1(C)C[C@H]1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000226260337 287634308 /nfs/dbraw/zinc/63/43/08/287634308.db2.gz QTQJWZZYYPNREO-LBPRGKRZSA-N -1 1 269.344 3.321 20 0 CGADMM Cc1ncccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000094648909 264538490 /nfs/dbraw/zinc/53/84/90/264538490.db2.gz DBHCTVLNPDWVCW-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM Cc1ccc(-c2n[nH]c(NC(=O)C[C@H]3CCC[C@@H]3C)n2)o1 ZINC000184038720 270057074 /nfs/dbraw/zinc/05/70/74/270057074.db2.gz IAFFKCHNBXMAMV-GXSJLCMTSA-N -1 1 288.351 3.138 20 0 CGADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000187516131 270068737 /nfs/dbraw/zinc/06/87/37/270068737.db2.gz KWGOYNIEKSRJDM-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM CCC(CC)(CC)NC(=O)c1c([O-])cccc1F ZINC000228854721 270088370 /nfs/dbraw/zinc/08/83/70/270088370.db2.gz CPRKHCUZXKWYHF-UHFFFAOYSA-N -1 1 253.317 3.230 20 0 CGADMM C[C@@H](CNC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000228835972 270088032 /nfs/dbraw/zinc/08/80/32/270088032.db2.gz DYEDYJWFQYHEAZ-NSHDSACASA-N -1 1 273.307 3.065 20 0 CGADMM CCC[C@@H](OCC)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000528166839 270156326 /nfs/dbraw/zinc/15/63/26/270156326.db2.gz BKTFAFPHXUIDNS-GFCCVEGCSA-N -1 1 280.299 3.459 20 0 CGADMM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531486503 270207400 /nfs/dbraw/zinc/20/74/00/270207400.db2.gz XTMHICODNJJLPH-DGCLKSJQSA-N -1 1 293.388 3.290 20 0 CGADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc([O-])cc1F ZINC000246202089 287697301 /nfs/dbraw/zinc/69/73/01/287697301.db2.gz VHRWUWLRXVVWRI-UEKVPHQBSA-N -1 1 277.339 3.325 20 0 CGADMM CC1(C)[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3[O-])C[C@@H]21 ZINC000180598978 278433072 /nfs/dbraw/zinc/43/30/72/278433072.db2.gz HUSACHBCWXTHBK-PHIMTYICSA-N -1 1 299.292 3.139 20 0 CGADMM CC1(c2ccccc2)CC(NC(=O)c2ccc([O-])cc2F)C1 ZINC000274948510 278477210 /nfs/dbraw/zinc/47/72/10/278477210.db2.gz PFYUFKWKEXKTSZ-UHFFFAOYSA-N -1 1 299.345 3.381 20 0 CGADMM CC(C)(C(=O)Nc1cccc(F)c1[O-])C1CCC(O)CC1 ZINC000530005527 288281329 /nfs/dbraw/zinc/28/13/29/288281329.db2.gz MAGKEDSAWOREGQ-UHFFFAOYSA-N -1 1 295.354 3.047 20 0 CGADMM CC[C@@H](C(=O)Nc1cccc(F)c1[O-])c1c(C)noc1C ZINC000530005218 288281391 /nfs/dbraw/zinc/28/13/91/288281391.db2.gz HAHIXXITMSWJMG-SNVBAGLBSA-N -1 1 292.310 3.268 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCCC(F)(F)C1 ZINC000530006428 288282017 /nfs/dbraw/zinc/28/20/17/288282017.db2.gz RVQJXAGLVQDBRI-QMMMGPOBSA-N -1 1 273.254 3.295 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN1CCC(F)(F)C[C@@H]1C ZINC000530172926 288292746 /nfs/dbraw/zinc/29/27/46/288292746.db2.gz LWIRQMYMYUGJGT-VIFPVBQESA-N -1 1 287.306 3.160 20 0 CGADMM CC(C)c1nc(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cs1 ZINC000530174049 288293139 /nfs/dbraw/zinc/29/31/39/288293139.db2.gz ICMDOMIWPBFQGX-GHMZBOCLSA-N -1 1 296.436 3.340 20 0 CGADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ncc(C(C)(C)C)o1 ZINC000530176576 288294497 /nfs/dbraw/zinc/29/44/97/288294497.db2.gz UMIXQAIPXZRXJE-GHMZBOCLSA-N -1 1 294.395 3.046 20 0 CGADMM CCCc1cc(=O)[n-]c(SCC[C@@H]2CCCCO2)n1 ZINC000543643975 288814145 /nfs/dbraw/zinc/81/41/45/288814145.db2.gz BWGQXLPARBZYBJ-LBPRGKRZSA-N -1 1 282.409 3.186 20 0 CGADMM O=c1cc(C(F)F)nc(SCCOC2CCCC2)[n-]1 ZINC000554944597 289320882 /nfs/dbraw/zinc/32/08/82/289320882.db2.gz UPIWSCVEFIKLPH-UHFFFAOYSA-N -1 1 290.335 3.171 20 0 CGADMM CC(C)[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000561986953 289665363 /nfs/dbraw/zinc/66/53/63/289665363.db2.gz OCBKJCOZFXGASB-JTQLQIEISA-N -1 1 283.318 3.179 20 0 CGADMM NC(=O)Nc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000328449377 303289006 /nfs/dbraw/zinc/28/90/06/303289006.db2.gz GQSMMZOTEOZFGD-UHFFFAOYSA-N -1 1 291.738 3.148 20 0 CGADMM CCOc1cc(C(=O)N2[C@@H](C)CC[C@@H]2C)cc(Cl)c1[O-] ZINC000186862262 327704711 /nfs/dbraw/zinc/70/47/11/327704711.db2.gz FOVJMKUIZKZEFG-UWVGGRQHSA-N -1 1 297.782 3.457 20 0 CGADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(C2CC2)cc1 ZINC000584339926 328127840 /nfs/dbraw/zinc/12/78/40/328127840.db2.gz MGIFDLUFRDEETC-NSHDSACASA-N -1 1 282.343 3.156 20 0 CGADMM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccc([O-])cc1F ZINC000154928540 321753234 /nfs/dbraw/zinc/75/32/34/321753234.db2.gz VXRPKKIYCKLOKD-ZFWWWQNUSA-N -1 1 277.339 3.230 20 0 CGADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@H](C)S1 ZINC000564338185 322028328 /nfs/dbraw/zinc/02/83/28/322028328.db2.gz XJFMKYMZNMWEMS-AOOOYVTPSA-N -1 1 299.823 3.364 20 0 CGADMM CCCCCS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1 ZINC000568830442 322223842 /nfs/dbraw/zinc/22/38/42/322223842.db2.gz UDTFCVGKOMQCNV-UHFFFAOYSA-N -1 1 296.367 3.180 20 0 CGADMM CCCCCS(=O)(=O)c1nc(-c2ccc(F)cc2)c[n-]1 ZINC000568830442 322223844 /nfs/dbraw/zinc/22/38/44/322223844.db2.gz UDTFCVGKOMQCNV-UHFFFAOYSA-N -1 1 296.367 3.180 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N(C)Cc1ncccc1[O-] ZINC000571960103 322313606 /nfs/dbraw/zinc/31/36/06/322313606.db2.gz MXFHEBVQLFMYAY-JTQLQIEISA-N -1 1 278.302 3.258 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1csc(C2CC2)n1 ZINC000572060919 322318238 /nfs/dbraw/zinc/31/82/38/322318238.db2.gz VNYLREZGULQHAX-NRUUGDAUSA-N -1 1 294.420 3.094 20 0 CGADMM FC(F)(F)c1nc(=N[C@@H]2CC[C@H]3CCC[C@@H]3C2)s[n-]1 ZINC000572507863 322340944 /nfs/dbraw/zinc/34/09/44/322340944.db2.gz FOASAEPXOGJKMA-IWSPIJDZSA-N -1 1 291.342 3.360 20 0 CGADMM O=C([O-])c1csc(CN2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000572889546 322360147 /nfs/dbraw/zinc/36/01/47/322360147.db2.gz RJNVQLLMOIRVTN-HNNXBMFYSA-N -1 1 292.404 3.164 20 0 CGADMM COc1cccc(CN(C)Cc2csc(C(=O)[O-])c2)c1 ZINC000582671908 329122971 /nfs/dbraw/zinc/12/29/71/329122971.db2.gz XVNHIVMTZBLRPW-UHFFFAOYSA-N -1 1 291.372 3.087 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1C[C@H]1C1CC1 ZINC000175525808 335187264 /nfs/dbraw/zinc/18/72/64/335187264.db2.gz XBGQYOYOVHVRDX-UWVGGRQHSA-N -1 1 251.713 3.030 20 0 CGADMM CC(C)(C)[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000580678525 335320837 /nfs/dbraw/zinc/32/08/37/335320837.db2.gz JTJLABZIMKDDSL-VIFPVBQESA-N -1 1 283.318 3.179 20 0 CGADMM O=C(c1ccccc1[O-])N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000183837969 335909543 /nfs/dbraw/zinc/90/95/43/335909543.db2.gz QVMYZDJWEQKENR-NSHDSACASA-N -1 1 293.322 3.113 20 0 CGADMM C[C@H](NC(=O)c1cncc([O-])c1)c1cccc(C2CC2)c1 ZINC000580993499 335993342 /nfs/dbraw/zinc/99/33/42/335993342.db2.gz GFTPKSNNJBPVTF-NSHDSACASA-N -1 1 282.343 3.156 20 0 CGADMM CCc1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)nc1 ZINC000581203733 336024361 /nfs/dbraw/zinc/02/43/61/336024361.db2.gz ZTSMWNSTCPYSCW-UHFFFAOYSA-N -1 1 287.388 3.309 20 0 CGADMM C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000194724297 336037829 /nfs/dbraw/zinc/03/78/29/336037829.db2.gz BHVVIGDHNJAWOW-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM CCn1ccnc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000382403755 336087302 /nfs/dbraw/zinc/08/73/02/336087302.db2.gz SMUPAJJDYFYBIQ-UHFFFAOYSA-N -1 1 281.315 3.014 20 0 CGADMM Cc1ccsc1CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000383701898 336116700 /nfs/dbraw/zinc/11/67/00/336116700.db2.gz HIHMGMMSQJSOSI-UHFFFAOYSA-N -1 1 279.361 3.288 20 0 CGADMM CCc1ccccc1CCSc1ncc(C)c(=O)[n-]1 ZINC000581895676 336162507 /nfs/dbraw/zinc/16/25/07/336162507.db2.gz LYUUTBVQYUXPMB-UHFFFAOYSA-N -1 1 274.389 3.388 20 0 CGADMM O=C(N[C@H]1CC12CCCC2)c1ccc(Cl)cc1[O-] ZINC000386981993 336183422 /nfs/dbraw/zinc/18/34/22/336183422.db2.gz INJSNFOXXZAWLF-LBPRGKRZSA-N -1 1 265.740 3.108 20 0 CGADMM CC(C)C[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000154950527 500612748 /nfs/dbraw/zinc/61/27/48/500612748.db2.gz YDTWHXDAIZVZNX-NSHDSACASA-N -1 1 265.328 3.040 20 0 CGADMM O=C(/C=C\c1cc2ccccc2o1)[N-]O[C@@H]1CCCCO1 ZINC000255568579 500677928 /nfs/dbraw/zinc/67/79/28/500677928.db2.gz IULUCILVQSSBAC-HLRDLLSLSA-N -1 1 287.315 3.020 20 0 CGADMM CC(C)CCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000150895732 519637494 /nfs/dbraw/zinc/63/74/94/519637494.db2.gz PUXUUWKXHAEOTE-UHFFFAOYSA-N -1 1 276.380 3.076 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1ccc(Br)o1 ZINC000089408782 523059749 /nfs/dbraw/zinc/05/97/49/523059749.db2.gz ORVWGPBBXYLDBG-UHFFFAOYSA-N -1 1 299.124 3.153 20 0 CGADMM Cn1ccc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000436878160 534762109 /nfs/dbraw/zinc/76/21/09/534762109.db2.gz ISTAWRIGPSGOJM-GORDUTHDSA-N -1 1 285.278 3.090 20 0 CGADMM C[C@@H](NC(=O)c1cncc([O-])c1)[C@H](C)C1CCCCC1 ZINC000339918354 525375282 /nfs/dbraw/zinc/37/52/82/525375282.db2.gz ZXOPDZNOKSYPFN-NWDGAFQWSA-N -1 1 276.380 3.122 20 0 CGADMM C[C@@H]([C@H](C)NC(=O)c1cncc([O-])c1)C1CCCCC1 ZINC000339918356 526023111 /nfs/dbraw/zinc/02/31/11/526023111.db2.gz ZXOPDZNOKSYPFN-RYUDHWBXSA-N -1 1 276.380 3.122 20 0 CGADMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1F)c1ccccc1 ZINC000160807706 527654636 /nfs/dbraw/zinc/65/46/36/527654636.db2.gz HHRCSFWEWNEEBQ-AWEZNQCLSA-N -1 1 293.725 3.395 20 0 CGADMM CC(C)[C@H]1CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436687695 527805835 /nfs/dbraw/zinc/80/58/35/527805835.db2.gz JOPZVDIKMDTPGM-OAHLLOKOSA-N -1 1 269.344 3.416 20 0 CGADMM CCC[C@H](N=c1nc([C@H](C)OC)[n-]s1)C1CCCC1 ZINC000413463340 528165686 /nfs/dbraw/zinc/16/56/86/528165686.db2.gz XNWUXNAZOAPEGP-JQWIXIFHSA-N -1 1 283.441 3.438 20 0 CGADMM CCN(C(=O)c1ccccc1[O-])c1cccc(OC)c1 ZINC000436761786 529093247 /nfs/dbraw/zinc/09/32/47/529093247.db2.gz PAGQRCKRWXNRPG-UHFFFAOYSA-N -1 1 271.316 3.068 20 0 CGADMM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ncc(C)cc1[O-] ZINC000427465429 529229339 /nfs/dbraw/zinc/22/93/39/529229339.db2.gz HOSPVOLCEJGIGJ-STQMWFEESA-N -1 1 276.380 3.136 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cc(C)ccc2F)n1 ZINC000450908144 536155218 /nfs/dbraw/zinc/15/52/18/536155218.db2.gz LSFXLKXBGXMJRW-UHFFFAOYSA-N -1 1 278.352 3.484 20 0 CGADMM Cc1ccc(-c2n[nH]c(SCCCCC(=O)[O-])n2)cc1 ZINC000738251105 572368740 /nfs/dbraw/zinc/36/87/40/572368740.db2.gz HZONFTNGKUDXHE-UHFFFAOYSA-N -1 1 291.376 3.127 20 0 CGADMM C[C@@H](c1ccc(F)c(F)c1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739177915 572508504 /nfs/dbraw/zinc/50/85/04/572508504.db2.gz QHWWPOMZUAVAGO-BFVZDQMLSA-N -1 1 298.333 3.004 20 0 CGADMM Cc1cccc(F)c1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000743721725 572681146 /nfs/dbraw/zinc/68/11/46/572681146.db2.gz KNQKNCQSGQKXQF-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM CC(=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CC1 ZINC000749732973 573028442 /nfs/dbraw/zinc/02/84/42/573028442.db2.gz HKOOGTKAQCGDSX-CSKARUKUSA-N -1 1 283.331 3.077 20 0 CGADMM CC(C)[C@H](C)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820015727 599565566 /nfs/dbraw/zinc/56/55/66/599565566.db2.gz FZWPRLORADLNJG-LLVKDONJSA-N -1 1 296.378 3.119 20 0 CGADMM CC(C)[C@H](C)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820015727 599565568 /nfs/dbraw/zinc/56/55/68/599565568.db2.gz FZWPRLORADLNJG-LLVKDONJSA-N -1 1 296.378 3.119 20 0 CGADMM CC[C@H](C(=O)[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000828603119 600998733 /nfs/dbraw/zinc/99/87/33/600998733.db2.gz CBUIGPNMRJKNBC-CQSZACIVSA-N -1 1 292.766 3.043 20 0 CGADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC000828457020 601042918 /nfs/dbraw/zinc/04/29/18/601042918.db2.gz QBIQJWPVPOLCAE-NHYWBVRUSA-N -1 1 271.316 3.171 20 0 CGADMM CCN(C/C=C(/C)C(=O)[O-])Cc1ccccc1Cl ZINC000829692371 601156344 /nfs/dbraw/zinc/15/63/44/601156344.db2.gz HSMHCMCOLAFMIY-FLIBITNWSA-N -1 1 267.756 3.193 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CNC1(c2ccccc2)CC1 ZINC000830375259 601415960 /nfs/dbraw/zinc/41/59/60/601415960.db2.gz KGIVCYXCRHLVEE-UHFFFAOYSA-N -1 1 285.343 3.319 20 0 CGADMM Cc1cccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)c1Cl ZINC000899362613 620670342 /nfs/dbraw/zinc/67/03/42/620670342.db2.gz YJEMWSJJSDIIPD-PELKAZGASA-N -1 1 262.740 3.397 20 0 CGADMM C/C(=C/CN[C@@H](C)c1ccccc1Br)C(=O)[O-] ZINC000235512414 605061641 /nfs/dbraw/zinc/06/16/41/605061641.db2.gz FGRUKLPPJKPDSG-RNKPRXRFSA-N -1 1 298.180 3.131 20 0 CGADMM Cc1nc([C@H](C)N[C@H](CNC(=O)[O-])CC(C)C)c(C)s1 ZINC000830710070 605501922 /nfs/dbraw/zinc/50/19/22/605501922.db2.gz YHJXZQXNPTWRII-CABZTGNLSA-N -1 1 299.440 3.093 20 0 CGADMM CC(C)c1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000820192792 606132226 /nfs/dbraw/zinc/13/22/26/606132226.db2.gz ZOOZGHMCUQLDBE-UHFFFAOYSA-N -1 1 283.335 3.195 20 0 CGADMM CC(C)c1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000820192792 606132228 /nfs/dbraw/zinc/13/22/28/606132228.db2.gz ZOOZGHMCUQLDBE-UHFFFAOYSA-N -1 1 283.335 3.195 20 0 CGADMM Fc1cccc(OCCCc2ccccc2)c1-c1nnn[n-]1 ZINC000826378006 607863783 /nfs/dbraw/zinc/86/37/83/607863783.db2.gz QNZBDTORXQOTLK-UHFFFAOYSA-N -1 1 298.321 3.017 20 0 CGADMM Fc1cccc(OCCCc2ccccc2)c1-c1nn[n-]n1 ZINC000826378006 607863784 /nfs/dbraw/zinc/86/37/84/607863784.db2.gz QNZBDTORXQOTLK-UHFFFAOYSA-N -1 1 298.321 3.017 20 0 CGADMM CC(C)Cc1coc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000899448100 620699641 /nfs/dbraw/zinc/69/96/41/620699641.db2.gz IOGZOQDEXMZXIR-UHFFFAOYSA-N -1 1 296.273 3.109 20 0 CGADMM CC1(C)CCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900557032 620801061 /nfs/dbraw/zinc/80/10/61/620801061.db2.gz PZHMGNSECRTODX-UHFFFAOYSA-N -1 1 288.322 3.094 20 0 CGADMM Cc1cc(CN[C@H]2CCCc3ccccc32)oc1C(=O)[O-] ZINC000235974301 618834434 /nfs/dbraw/zinc/83/44/34/618834434.db2.gz FPWXNVSPRDCXRF-HNNXBMFYSA-N -1 1 285.343 3.453 20 0 CGADMM O=C(NC1CCCCCCC1)c1c([O-])cccc1F ZINC000236598483 618903904 /nfs/dbraw/zinc/90/39/04/618903904.db2.gz XXAFOWFGZMOSQP-UHFFFAOYSA-N -1 1 265.328 3.374 20 0 CGADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])cc(Cl)n1 ZINC000194585302 619141551 /nfs/dbraw/zinc/14/15/51/619141551.db2.gz IVJJQYYMOXCRJZ-UHFFFAOYSA-N -1 1 298.129 3.050 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccsc1 ZINC000235526422 619301308 /nfs/dbraw/zinc/30/13/08/619301308.db2.gz YNNLBCPMNNPYIH-QMMMGPOBSA-N -1 1 265.334 3.199 20 0 CGADMM CC(C)Cc1coc([N-]C(=O)c2ocnc2C(F)F)n1 ZINC000894433726 619534327 /nfs/dbraw/zinc/53/43/27/619534327.db2.gz AICAOUZXCUTDND-UHFFFAOYSA-N -1 1 285.250 3.051 20 0 CGADMM Cc1ccc(C=C2SC(=S)[N-]C2=O)cc1F ZINC000067427854 619725901 /nfs/dbraw/zinc/72/59/01/619725901.db2.gz JVVRNSXIANJHJP-UITAMQMPSA-N -1 1 253.323 3.463 20 0 CGADMM CCCN(C(=O)c1ccc2ccc(O)cc2c1[O-])C1CC1 ZINC000896162387 619958609 /nfs/dbraw/zinc/95/86/09/619958609.db2.gz CSXVZOOPONBRMU-UHFFFAOYSA-N -1 1 285.343 3.266 20 0 CGADMM CC(C)[C@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896944664 620109993 /nfs/dbraw/zinc/10/99/93/620109993.db2.gz QJYBHRHBWXOZGR-ZDUSSCGKSA-N -1 1 299.370 3.369 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCCCCCCC1 ZINC000322086229 620386047 /nfs/dbraw/zinc/38/60/47/620386047.db2.gz PRIUARCJHXLPAL-UHFFFAOYSA-N -1 1 265.328 3.328 20 0 CGADMM Cc1cccc(CO[N-]C(=O)C[C@H](C)c2ccccc2C)n1 ZINC000898934898 620610223 /nfs/dbraw/zinc/61/02/23/620610223.db2.gz CXPTZRNWKJHTCT-AWEZNQCLSA-N -1 1 298.386 3.440 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC(CC2CC2)C1 ZINC000899041840 620617107 /nfs/dbraw/zinc/61/71/07/620617107.db2.gz RTPFTIXFMDXMRX-UHFFFAOYSA-N -1 1 297.354 3.123 20 0 CGADMM CCc1nc(S[C@H](C)c2snnc2C)[n-]c(=O)c1C ZINC000901565380 620931111 /nfs/dbraw/zinc/93/11/11/620931111.db2.gz XWXRTSITQDJQGL-MRVPVSSYSA-N -1 1 296.421 3.066 20 0 CGADMM O=C([O-])c1ccc(CNCc2cccc(C3CC3)c2)o1 ZINC000901650877 620967397 /nfs/dbraw/zinc/96/73/97/620967397.db2.gz NGQXIONEXAICGR-UHFFFAOYSA-N -1 1 271.316 3.145 20 0 CGADMM Cc1cc(CNCc2ccc(C)c(F)c2)oc1C(=O)[O-] ZINC000901942224 621071903 /nfs/dbraw/zinc/07/19/03/621071903.db2.gz HAROHXJYWUQAHS-UHFFFAOYSA-N -1 1 277.295 3.024 20 0 CGADMM O=C([O-])c1ccc(CN[C@H]2CCc3cc(Cl)ccc32)o1 ZINC000902172602 621185438 /nfs/dbraw/zinc/18/54/38/621185438.db2.gz NCUAIHMANANMGQ-ZDUSSCGKSA-N -1 1 291.734 3.408 20 0 CGADMM Cc1cccc(C(C)(C)NCc2cc(C(=O)[O-])co2)c1 ZINC000902285411 621228145 /nfs/dbraw/zinc/22/81/45/621228145.db2.gz GCSVAHXOZHECGY-UHFFFAOYSA-N -1 1 273.332 3.311 20 0 CGADMM O=C([O-])c1cc(CNC2(c3cccc(F)c3)CC2)cs1 ZINC000902295963 621242556 /nfs/dbraw/zinc/24/25/56/621242556.db2.gz QWKKKMCUDANYFK-UHFFFAOYSA-N -1 1 291.347 3.364 20 0 CGADMM CSCCCCc1noc(-c2ccc([O-])cc2F)n1 ZINC000903785994 621808199 /nfs/dbraw/zinc/80/81/99/621808199.db2.gz SUEDTRODXJKIIV-UHFFFAOYSA-N -1 1 282.340 3.267 20 0 CGADMM C[C@@H]1CCCCN1Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903886071 621826672 /nfs/dbraw/zinc/82/66/72/621826672.db2.gz VVGVIPRZKBOEON-MRVPVSSYSA-N -1 1 291.269 3.371 20 0 CGADMM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1cc(C)co1 ZINC000904032702 621856091 /nfs/dbraw/zinc/85/60/91/621856091.db2.gz OWQVDQZGOQATOQ-MRXNPFEDSA-N -1 1 287.359 3.456 20 0 CGADMM CC[C@@H](NCc1cccc(C2CC2)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064430 621862256 /nfs/dbraw/zinc/86/22/56/621862256.db2.gz IZKUNQYZZXWEHB-CQSZACIVSA-N -1 1 299.374 3.226 20 0 CGADMM Cc1ccsc1CN[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC000904263398 621893953 /nfs/dbraw/zinc/89/39/53/621893953.db2.gz WZMNAVRKDYJEAM-CQSZACIVSA-N -1 1 275.373 3.280 20 0 CGADMM CSCCCCc1nc(=O)c2sc(C)cc2[n-]1 ZINC000905032185 622029160 /nfs/dbraw/zinc/02/91/60/622029160.db2.gz ZPKXKZCYFJFNJB-UHFFFAOYSA-N -1 1 268.407 3.391 20 0 CGADMM COc1cnc(C=Cc2ccc(OCC3CC3)cc2)[n-]c1=O ZINC000905076179 622037013 /nfs/dbraw/zinc/03/70/13/622037013.db2.gz BTCNFJBLYZWHDX-TWGQIWQCSA-N -1 1 298.342 3.150 20 0 CGADMM O=C([O-])c1ccc(CNC/C=C/Cl)c(C(F)(F)F)c1 ZINC000905809932 622112886 /nfs/dbraw/zinc/11/28/86/622112886.db2.gz GDZIVOKROLQSGL-DAFODLJHSA-N -1 1 293.672 3.246 20 0 CGADMM CCC[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C(C)(C)C ZINC000908686450 622365366 /nfs/dbraw/zinc/36/53/66/622365366.db2.gz ALPVBHCBZKWAGN-LBPRGKRZSA-N -1 1 291.395 3.004 20 0 CGADMM Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909976579 622440044 /nfs/dbraw/zinc/44/00/44/622440044.db2.gz BZPHCSQVDKQBNA-ZCFIWIBFSA-N -1 1 296.273 3.017 20 0 CGADMM CC1(C)CC[C@@H](C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909985640 622440950 /nfs/dbraw/zinc/44/09/50/622440950.db2.gz NOGJQAWVPWHUPU-MRVPVSSYSA-N -1 1 269.291 3.435 20 0 CGADMM Cc1[nH]nc(C(C)C)c1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910982506 622513231 /nfs/dbraw/zinc/51/32/31/622513231.db2.gz KJKYUUSVCVLFEB-UHFFFAOYSA-N -1 1 295.289 3.078 20 0 CGADMM Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910982506 622513233 /nfs/dbraw/zinc/51/32/33/622513233.db2.gz KJKYUUSVCVLFEB-UHFFFAOYSA-N -1 1 295.289 3.078 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C1=CCCCC1 ZINC000910993774 622513953 /nfs/dbraw/zinc/51/39/53/622513953.db2.gz QQWCXELSWXMPFE-UHFFFAOYSA-N -1 1 253.248 3.109 20 0 CGADMM O=C(CC1COC1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000912858166 622705564 /nfs/dbraw/zinc/70/55/64/622705564.db2.gz FLHBMJMLBPOFFB-UHFFFAOYSA-N -1 1 291.734 3.174 20 0 CGADMM CC[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc(OC)cc1 ZINC000228162806 623044688 /nfs/dbraw/zinc/04/46/88/623044688.db2.gz ZZBFPHBSJXCHNR-OAHLLOKOSA-N -1 1 289.331 3.227 20 0 CGADMM CC/C(=C\C(=O)[N-]O[C@H]1CCCCO1)c1ccc(C)cc1 ZINC000172887082 623289717 /nfs/dbraw/zinc/28/97/17/623289717.db2.gz ARWJTWOAKHSUCU-VSOYFRJCSA-N -1 1 289.375 3.363 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cnc(C3CC3)o2)n1 ZINC000915653587 624017037 /nfs/dbraw/zinc/01/70/37/624017037.db2.gz ZVXXXVWQVBAKFY-UHFFFAOYSA-N -1 1 291.376 3.292 20 0 CGADMM O=C(C[C@@H]1CCCc2ccccc21)[N-]OCC(F)(F)F ZINC000766785562 624266969 /nfs/dbraw/zinc/26/69/69/624266969.db2.gz TYAQDMPMPAGIPX-NSHDSACASA-N -1 1 287.281 3.107 20 0 CGADMM CCc1nc(SC2CCSCC2)[n-]c(=O)c1C ZINC000917843941 624315272 /nfs/dbraw/zinc/31/52/72/624315272.db2.gz VHBZUEUXQCUGNV-UHFFFAOYSA-N -1 1 270.423 3.041 20 0 CGADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc2c(c1)CCCC2 ZINC000070266832 624994529 /nfs/dbraw/zinc/99/45/29/624994529.db2.gz UVXBGQBFMDNWSJ-VIFPVBQESA-N -1 1 271.282 3.305 20 0 CGADMM CC(C)(C)c1nc(CN2CCC[C@@H](CC(=O)[O-])CC2)co1 ZINC000923239359 626139230 /nfs/dbraw/zinc/13/92/30/626139230.db2.gz FEBHAZKFRUFMTG-GFCCVEGCSA-N -1 1 294.395 3.049 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC2(C1)CCCCC2 ZINC000761187542 627023420 /nfs/dbraw/zinc/02/34/20/627023420.db2.gz ZNZLDKPHQRKFKK-UHFFFAOYSA-N -1 1 279.767 3.452 20 0 CGADMM CCN(CCC(F)(F)F)C(=O)c1c([O-])cccc1Cl ZINC000764072051 627192773 /nfs/dbraw/zinc/19/27/73/627192773.db2.gz WNABEAFJPNUFTB-UHFFFAOYSA-N -1 1 295.688 3.460 20 0 CGADMM O=C(Nc1ccc(O)c(Cl)c1)c1ccc([O-])c(F)c1 ZINC000768299510 627472835 /nfs/dbraw/zinc/47/28/35/627472835.db2.gz JBBSZNYLWSXIIY-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM CN(C(=O)c1c([O-])cccc1Cl)C1CCCCC1 ZINC000769649166 627571163 /nfs/dbraw/zinc/57/11/63/627571163.db2.gz NSTFOLOHZQCZDH-UHFFFAOYSA-N -1 1 267.756 3.450 20 0 CGADMM C[C@@H]1c2cccn2CCN1C(=O)c1c([O-])cccc1Cl ZINC000769669326 627572257 /nfs/dbraw/zinc/57/22/57/627572257.db2.gz WLXHKTKVQURHCQ-SNVBAGLBSA-N -1 1 290.750 3.064 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N(CCc1ccccc1)C1CC1 ZINC000769736237 627575119 /nfs/dbraw/zinc/57/51/19/627575119.db2.gz UIAHNJWYKUXCFW-UHFFFAOYSA-N -1 1 299.345 3.379 20 0 CGADMM CCN(C(=O)c1c([O-])cccc1Cl)C1CCC1 ZINC000769899700 627588194 /nfs/dbraw/zinc/58/81/94/627588194.db2.gz KANSFLRFQRWCBA-UHFFFAOYSA-N -1 1 253.729 3.060 20 0 CGADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1c([O-])cccc1Cl ZINC000769982569 627594451 /nfs/dbraw/zinc/59/44/51/627594451.db2.gz HHYZDFBDSXHVQV-RKDXNWHRSA-N -1 1 253.729 3.059 20 0 CGADMM O=C(NCCCc1cccs1)c1c([O-])cccc1Cl ZINC000770222105 627609348 /nfs/dbraw/zinc/60/93/48/627609348.db2.gz LGKFLNWEKOEVRI-UHFFFAOYSA-N -1 1 295.791 3.470 20 0 CGADMM CC(Cl)(Cl)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000771226789 627691972 /nfs/dbraw/zinc/69/19/72/627691972.db2.gz XTOURCXNBQZUTM-UHFFFAOYSA-N -1 1 277.082 3.232 20 0 CGADMM Cc1ccc(OCCOC(=O)c2ccc([O-])cc2F)cc1 ZINC000773567985 627897935 /nfs/dbraw/zinc/89/79/35/627897935.db2.gz BYVBTFFUAFEJMN-UHFFFAOYSA-N -1 1 290.290 3.076 20 0 CGADMM CCOc1cc(C(=O)N[C@H]2CC23CCC3)cc(Cl)c1[O-] ZINC000874790537 634617863 /nfs/dbraw/zinc/61/78/63/634617863.db2.gz KJWJDVLUFMDCKP-LBPRGKRZSA-N -1 1 295.766 3.117 20 0 CGADMM C/C=C(\C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000778447677 628351359 /nfs/dbraw/zinc/35/13/59/628351359.db2.gz CFYYEODCFJIAME-XBXARRHUSA-N -1 1 284.153 3.368 20 0 CGADMM C[C@H](OC(=O)c1cn[n-]n1)c1cc(Cl)ccc1Cl ZINC000805607946 628351871 /nfs/dbraw/zinc/35/18/71/628351871.db2.gz UTHAAPJMASLBEB-LURJTMIESA-N -1 1 286.118 3.030 20 0 CGADMM O=C(NOC1CCCCC1)c1c([O-])cccc1Cl ZINC000779320393 628407411 /nfs/dbraw/zinc/40/74/11/628407411.db2.gz JKJWYICYNODBBP-UHFFFAOYSA-N -1 1 269.728 3.040 20 0 CGADMM O=C(C[C@H](O)c1ccc(Cl)cc1)[N-]OC1CCCCC1 ZINC000779320600 628407824 /nfs/dbraw/zinc/40/78/24/628407824.db2.gz OLZWYLAFYHBCCS-AWEZNQCLSA-N -1 1 297.782 3.144 20 0 CGADMM CCSc1cccc(C=C2SC(=O)[N-]C2=O)c1 ZINC000874928490 634653645 /nfs/dbraw/zinc/65/36/45/634653645.db2.gz NUZAXKYORINOOZ-YFHOEESVSA-N -1 1 265.359 3.123 20 0 CGADMM O=C(CCc1ccccc1F)Nc1nc(Cl)ccc1[O-] ZINC000790047266 629179929 /nfs/dbraw/zinc/17/99/29/629179929.db2.gz IMPSXUFXZVZSPG-UHFFFAOYSA-N -1 1 294.713 3.151 20 0 CGADMM CC(=O)CCCCCCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047541 629180003 /nfs/dbraw/zinc/18/00/03/629180003.db2.gz IYDWKNYUOHGHON-UHFFFAOYSA-N -1 1 298.770 3.309 20 0 CGADMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])C1CCCC1 ZINC000790057033 629181219 /nfs/dbraw/zinc/18/12/19/629181219.db2.gz SMOOJZBYQBVJCX-MRVPVSSYSA-N -1 1 268.744 3.205 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000793431693 629463659 /nfs/dbraw/zinc/46/36/59/629463659.db2.gz ODSVVBYVBLXBGL-AWEZNQCLSA-N -1 1 291.778 3.450 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2[nH]ccc2s1 ZINC000793942127 629508599 /nfs/dbraw/zinc/50/85/99/629508599.db2.gz PVKOUZOLBAFCSL-UHFFFAOYSA-N -1 1 293.735 3.236 20 0 CGADMM O=C(NCc1cccnc1F)c1cc2ccccc2cc1[O-] ZINC000794005888 629511587 /nfs/dbraw/zinc/51/15/87/629511587.db2.gz GGCKFOPTBFURJX-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM CCc1nc(SCCC(F)(F)Cl)[n-]c(=O)c1C ZINC000863345661 629540092 /nfs/dbraw/zinc/54/00/92/629540092.db2.gz GGDVHEZZVQQPDV-UHFFFAOYSA-N -1 1 282.743 3.367 20 0 CGADMM COc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000003078351 634747851 /nfs/dbraw/zinc/74/78/51/634747851.db2.gz JXSJPLLJGDCWKP-UHFFFAOYSA-N -1 1 277.707 3.307 20 0 CGADMM CCCCCCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863476040 629584206 /nfs/dbraw/zinc/58/42/06/629584206.db2.gz SWFHCCNPVQUVBT-UHFFFAOYSA-N -1 1 287.363 3.487 20 0 CGADMM COC(=O)c1ccc(C(=O)O[C@H](C)c2cccc(C)c2)[n-]1 ZINC000796353005 629771147 /nfs/dbraw/zinc/77/11/47/629771147.db2.gz YRXHOYRPJAUJCW-LLVKDONJSA-N -1 1 287.315 3.028 20 0 CGADMM Cc1cc(CNCc2cccc(CCC(=O)[O-])c2)c(C)o1 ZINC000864518069 629851215 /nfs/dbraw/zinc/85/12/15/629851215.db2.gz BJASTKMWXYLGNL-UHFFFAOYSA-N -1 1 287.359 3.203 20 0 CGADMM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1occc1C ZINC000864529090 629855438 /nfs/dbraw/zinc/85/54/38/629855438.db2.gz WSAZGOMEHXDVTF-OAHLLOKOSA-N -1 1 287.359 3.456 20 0 CGADMM O=C(C[C@H]1CCC(F)(F)C1)Nc1ccc(F)cc1[O-] ZINC000797958813 630008043 /nfs/dbraw/zinc/00/80/43/630008043.db2.gz SYYSGWREMFVCJL-MRVPVSSYSA-N -1 1 273.254 3.295 20 0 CGADMM CCc1nc(S[C@H](C)C(=O)C(C)(C)C)[n-]c(=O)c1C ZINC000865371479 630080492 /nfs/dbraw/zinc/08/04/92/630080492.db2.gz YMKMSQXVDAKTQP-SECBINFHSA-N -1 1 282.409 3.149 20 0 CGADMM CC[C@@H]1[C@H](C)CCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876396095 634826966 /nfs/dbraw/zinc/82/69/66/634826966.db2.gz WVSAGRLHXQMCHZ-ZWNOBZJWSA-N -1 1 296.798 3.376 20 0 CGADMM C[C@H](CNC(=O)c1c(F)ccc([O-])c1F)C(C)(C)C ZINC000809679471 630778870 /nfs/dbraw/zinc/77/88/70/630778870.db2.gz HQFNRHVOQUZVJR-MRVPVSSYSA-N -1 1 271.307 3.082 20 0 CGADMM CCC=C(C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000810112107 630839148 /nfs/dbraw/zinc/83/91/48/630839148.db2.gz ZWAIVMRVJAFNRE-WMZJFQQLSA-N -1 1 271.320 3.077 20 0 CGADMM O=C(C=C(C1CC1)C1CC1)Nc1ccc([O-])c(F)c1F ZINC000837087125 634851966 /nfs/dbraw/zinc/85/19/66/634851966.db2.gz AAWJZJJWUFVGMJ-UHFFFAOYSA-N -1 1 279.286 3.355 20 0 CGADMM CC(C)(C)OCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000837086011 634852230 /nfs/dbraw/zinc/85/22/30/634852230.db2.gz IIBUEVTWNNFACP-UHFFFAOYSA-N -1 1 287.306 3.204 20 0 CGADMM CSC[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000817059799 632075218 /nfs/dbraw/zinc/07/52/18/632075218.db2.gz GDSSPSDOBIURAM-SNVBAGLBSA-N -1 1 299.823 3.261 20 0 CGADMM CC[C@@H](C(=O)[N-]OCCC1CC1)c1ccc(OC)cc1 ZINC000817399544 632138851 /nfs/dbraw/zinc/13/88/51/632138851.db2.gz QIZQJCOUFMALIW-OAHLLOKOSA-N -1 1 277.364 3.037 20 0 CGADMM CCCC[C@@H](C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000819961573 632550834 /nfs/dbraw/zinc/55/08/34/632550834.db2.gz LAECYEILRPGURM-SNVBAGLBSA-N -1 1 276.336 3.217 20 0 CGADMM CCC[C@H](C)CC(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000819961622 632550948 /nfs/dbraw/zinc/55/09/48/632550948.db2.gz LOWYFPRRZRTYAA-JTQLQIEISA-N -1 1 276.336 3.217 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000824623898 633265690 /nfs/dbraw/zinc/26/56/90/633265690.db2.gz XLWYILHLKKDQLW-LEWSCRJBSA-N -1 1 263.312 3.062 20 0 CGADMM C[C@](Cc1ccccc1)([N-]C(=O)C(F)(F)F)C1CC1 ZINC000837164542 634864730 /nfs/dbraw/zinc/86/47/30/634864730.db2.gz IANFRXSCOOGJJJ-CYBMUJFWSA-N -1 1 271.282 3.076 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@]2(C)CC2(Cl)Cl)n1 ZINC000829463391 633737680 /nfs/dbraw/zinc/73/76/80/633737680.db2.gz KPQNXNDBOPZDOO-SNVBAGLBSA-N -1 1 293.219 3.421 20 0 CGADMM CC[C@H](C)N(OC)C(=O)c1cc2ccccc2cc1[O-] ZINC000830475010 633865534 /nfs/dbraw/zinc/86/55/34/633865534.db2.gz QKWHCRATGQKRBM-NSHDSACASA-N -1 1 273.332 3.348 20 0 CGADMM CC[C@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000873069649 634240974 /nfs/dbraw/zinc/24/09/74/634240974.db2.gz NBBQWMNHMBVIND-LBPRGKRZSA-N -1 1 282.771 3.033 20 0 CGADMM CC(C)c1cc(C(=O)NCc2ccc([O-])c(Cl)c2)no1 ZINC000834824961 634247897 /nfs/dbraw/zinc/24/78/97/634247897.db2.gz CYYSWUUEVCDIHE-UHFFFAOYSA-N -1 1 294.738 3.087 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000834828901 634250871 /nfs/dbraw/zinc/25/08/71/634250871.db2.gz CTKIKKBTHUJVBT-YABSGUDNSA-N -1 1 279.767 3.098 20 0 CGADMM O=C(N[C@H](C1CC1)C1CCC1)c1c([O-])cccc1Cl ZINC000837249444 634876934 /nfs/dbraw/zinc/87/69/34/634876934.db2.gz MTUIPMQWOYKFMO-AWEZNQCLSA-N -1 1 279.767 3.354 20 0 CGADMM O=C(CC[C@@H]1CCc2ccccc21)[N-]OCC(F)(F)F ZINC000879194177 635722902 /nfs/dbraw/zinc/72/29/02/635722902.db2.gz OHUZURGMHBTNAR-NSHDSACASA-N -1 1 287.281 3.107 20 0 CGADMM CCC[C@H](C)CCNC(=O)c1c(F)ccc([O-])c1F ZINC000881531264 636134345 /nfs/dbraw/zinc/13/43/45/636134345.db2.gz GWMHIDYDNFSJSM-VIFPVBQESA-N -1 1 271.307 3.227 20 0 CGADMM CC(C)([N-]C(=O)C(F)(F)c1ccccc1F)C(C)(F)F ZINC000847119016 636343700 /nfs/dbraw/zinc/34/37/00/636343700.db2.gz OIKHPFRSOARIMN-UHFFFAOYSA-N -1 1 295.251 3.468 20 0 CGADMM O=C([O-])CC[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000086810128 636784692 /nfs/dbraw/zinc/78/46/92/636784692.db2.gz FZEDLBDITJRGEC-NSHDSACASA-N -1 1 283.318 3.042 20 0 CGADMM CCc1nc(SC/C(Cl)=C/Cl)[n-]c(=O)c1C ZINC000849922178 636908500 /nfs/dbraw/zinc/90/85/00/636908500.db2.gz ZVBRBJCWWVKRQL-DAXSKMNVSA-N -1 1 279.192 3.464 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000890237636 637148912 /nfs/dbraw/zinc/14/89/12/637148912.db2.gz YLEPGDWQEFDLAW-CABZTGNLSA-N -1 1 299.292 3.426 20 0 CGADMM O=C(CCC(F)F)Nc1cc(F)c([O-])cc1Cl ZINC000885678113 637284032 /nfs/dbraw/zinc/28/40/32/637284032.db2.gz JNQBLQWBHJRIHJ-UHFFFAOYSA-N -1 1 267.634 3.169 20 0 CGADMM CCCCC[C@](C)(CC)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000854635675 638080645 /nfs/dbraw/zinc/08/06/45/638080645.db2.gz UFUPQGLPTIIIFR-AWEZNQCLSA-N -1 1 267.373 3.359 20 0 CGADMM CC(C)c1ncsc1NC(=O)c1ccccc1[O-] ZINC000857527354 638514515 /nfs/dbraw/zinc/51/45/15/638514515.db2.gz ZZCUTHDAWAZGMZ-UHFFFAOYSA-N -1 1 262.334 3.224 20 0 CGADMM O=c1nc(N2CCC(c3ccccc3)CC2)cc(Cl)[n-]1 ZINC000858338970 638686000 /nfs/dbraw/zinc/68/60/00/638686000.db2.gz VMZBZYPZGGHLDO-UHFFFAOYSA-N -1 1 289.766 3.220 20 0 CGADMM C[C@H]1[C@H](C(F)(F)F)CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858489247 638739553 /nfs/dbraw/zinc/73/95/53/638739553.db2.gz WZJIGFAHQPOWPR-NKWVEPMBSA-N -1 1 295.692 3.003 20 0 CGADMM C[C@@H]1CCC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858507316 638749255 /nfs/dbraw/zinc/74/92/55/638749255.db2.gz HIFXSVHLPVVFJC-RKDXNWHRSA-N -1 1 255.749 3.216 20 0 CGADMM CC1(C)CCC[C@@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858555756 638761183 /nfs/dbraw/zinc/76/11/83/638761183.db2.gz QFZKMZFZKMPLQA-MRVPVSSYSA-N -1 1 255.749 3.074 20 0 CGADMM O=c1nc(NC[C@H]2CCC[C@@H]2C2CC2)cc(Cl)[n-]1 ZINC000858567729 638995300 /nfs/dbraw/zinc/99/53/00/638995300.db2.gz IZXFJVGSKNHUJY-NXEZZACHSA-N -1 1 267.760 3.074 20 0 CGADMM CN(c1cc(Cl)[n-]c(=O)n1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000858572722 638995926 /nfs/dbraw/zinc/99/59/26/638995926.db2.gz RWXXIDAMPDDNKC-NXEZZACHSA-N -1 1 283.803 3.487 20 0 CGADMM O=c1nc(NC[C@H]2C[C@@H]2c2ccccc2)cc(Cl)[n-]1 ZINC000858597316 638999977 /nfs/dbraw/zinc/99/99/77/638999977.db2.gz YPYHFUJSEOYPJF-GHMZBOCLSA-N -1 1 275.739 3.051 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccnn1C1CCC1 ZINC000935020795 639733448 /nfs/dbraw/zinc/73/34/48/639733448.db2.gz VEGKSRGQRUXOTN-UHFFFAOYSA-N -1 1 291.738 3.219 20 0 CGADMM CN(C)c1ccc(Cc2cc([O-])c(F)c(F)c2F)cc1 ZINC001250434889 805615755 /nfs/dbraw/zinc/61/57/55/805615755.db2.gz PSYWJZAWBXBPDF-UHFFFAOYSA-N -1 1 281.277 3.466 20 0 CGADMM COc1ccc(F)cc1-c1cc(F)cc(F)c1[O-] ZINC001250622145 805732562 /nfs/dbraw/zinc/73/25/62/805732562.db2.gz BJTQBOUGHYRYKI-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM C/C=C/C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC001157119892 805777836 /nfs/dbraw/zinc/77/78/36/805777836.db2.gz GNXSLZGWZAJUSH-NSCUHMNNSA-N -1 1 290.544 3.323 20 0 CGADMM Cc1c2[nH]c(-c3ccc(C(=O)[O-])cc3O)nc2ccc1F ZINC001251017142 805829053 /nfs/dbraw/zinc/82/90/53/805829053.db2.gz MMTWGGGBHBMGNS-UHFFFAOYSA-N -1 1 286.262 3.081 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2ccccc2)cc(C)c1F ZINC001251146310 805854309 /nfs/dbraw/zinc/85/43/09/805854309.db2.gz ODWKVVCPWRFNPF-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM [O-]c1cnc(Cl)cc1-c1nc2c([nH]1)c(F)cc(F)c2F ZINC001251252347 805871845 /nfs/dbraw/zinc/87/18/45/805871845.db2.gz UKDVHGTZJPPFNJ-UHFFFAOYSA-N -1 1 299.639 3.401 20 0 CGADMM O=C([O-])c1cc(F)ccc1-c1nc2ccc(F)cc2[nH]1 ZINC001251724471 805924587 /nfs/dbraw/zinc/92/45/87/805924587.db2.gz IGLFOLLTPIMOEM-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM COc1cc(Nc2ccc(C(=O)[O-])c(C)c2)ncc1C ZINC001211655157 814926675 /nfs/dbraw/zinc/92/66/75/814926675.db2.gz OZZIKPMFXBQPER-UHFFFAOYSA-N -1 1 272.304 3.149 20 0 CGADMM O=C(NC/C=C\C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001159078993 806039374 /nfs/dbraw/zinc/03/93/74/806039374.db2.gz OTIMYGKJMQQXNV-UPHRSURJSA-N -1 1 285.265 3.107 20 0 CGADMM CCc1ccc(-c2nnc(-c3ncccc3[O-])o2)cc1 ZINC001252946464 806138421 /nfs/dbraw/zinc/13/84/21/806138421.db2.gz HEZOEQRCQPWUIG-UHFFFAOYSA-N -1 1 267.288 3.067 20 0 CGADMM [O-]c1cc(-c2nnc(-c3ccccc3)o2)ccc1F ZINC001253126727 806178508 /nfs/dbraw/zinc/17/85/08/806178508.db2.gz POKPQGDIFFHQRE-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM CCCCC[C@@H](O)CNc1cc([O-])c(F)c(F)c1 ZINC001253540311 806242326 /nfs/dbraw/zinc/24/23/26/806242326.db2.gz YAVPMCKKAKOICO-SNVBAGLBSA-N -1 1 259.296 3.024 20 0 CGADMM CCCS(=O)(=O)[N-]c1cc2ccccc2s1 ZINC001253618666 806273510 /nfs/dbraw/zinc/27/35/10/806273510.db2.gz MXZHLSYHMOMEFO-UHFFFAOYSA-N -1 1 255.364 3.053 20 0 CGADMM CCCc1nnc(-c2c(O)cc3ccccc3c2[O-])o1 ZINC001253952082 806322719 /nfs/dbraw/zinc/32/27/19/806322719.db2.gz UAHCLWJZHOKMMI-UHFFFAOYSA-N -1 1 270.288 3.254 20 0 CGADMM [O-]c1ccc(-c2nnc(C3CC3)o2)c(Br)c1 ZINC001254120499 806345616 /nfs/dbraw/zinc/34/56/16/806345616.db2.gz VVBHAFZFAFKVIV-UHFFFAOYSA-N -1 1 281.109 3.082 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc2cccnc2c1 ZINC001161179907 806356144 /nfs/dbraw/zinc/35/61/44/806356144.db2.gz YQUVDHMACUKQRY-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM Cc1cc(Cl)ccc1-c1nnc(-c2ncccc2[O-])o1 ZINC001255268792 806588134 /nfs/dbraw/zinc/58/81/34/806588134.db2.gz YGDQIYAOHURIQZ-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(Cl)cc1 ZINC000048880431 798893041 /nfs/dbraw/zinc/89/30/41/798893041.db2.gz ADPUCJHEMPQWFB-UHFFFAOYSA-N -1 1 279.723 3.263 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2c([O-])cccc2F)C1 ZINC000235354023 799144004 /nfs/dbraw/zinc/14/40/04/799144004.db2.gz FZQWBFUOANWELX-MNOVXSKESA-N -1 1 265.328 3.087 20 0 CGADMM [O-]c1cccc(CNc2ccc(F)nc2)c1Cl ZINC000328452742 799252977 /nfs/dbraw/zinc/25/29/77/799252977.db2.gz LUJQDEYDEDNBHU-UHFFFAOYSA-N -1 1 252.676 3.192 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(F)(F)CC1 ZINC000404776383 799579535 /nfs/dbraw/zinc/57/95/35/799579535.db2.gz LNQXXRHPWVLGQB-UHFFFAOYSA-N -1 1 291.297 3.417 20 0 CGADMM Cc1n[n-]c(=NCc2ccc(C3CCC3)cc2)n1C1CC1 ZINC000453045373 799631251 /nfs/dbraw/zinc/63/12/51/799631251.db2.gz BEKFOUMXUABGDP-UHFFFAOYSA-N -1 1 282.391 3.223 20 0 CGADMM C=C/C=C\CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000713468967 800109417 /nfs/dbraw/zinc/10/94/17/800109417.db2.gz VSJABWPFXHNHCL-ARJAWSKDSA-N -1 1 267.328 3.408 20 0 CGADMM CC(F)(F)CCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000718591317 800216963 /nfs/dbraw/zinc/21/69/63/800216963.db2.gz OHGCKDPMXVNMTG-UHFFFAOYSA-N -1 1 269.291 3.136 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)[C@H]1C[C@@H]1C1CC1 ZINC001116899499 802426267 /nfs/dbraw/zinc/42/62/67/802426267.db2.gz HZKFQSVDRMZUTG-ZJUUUORDSA-N -1 1 296.164 3.139 20 0 CGADMM CC(C)NC(=S)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001200786483 811744507 /nfs/dbraw/zinc/74/45/07/811744507.db2.gz DUXNIJJMKVNSFA-UHFFFAOYSA-N -1 1 279.192 3.394 20 0 CGADMM Cc1nc2ccc(-c3c([O-])cccc3Cl)nc2n1C ZINC001244030583 803151161 /nfs/dbraw/zinc/15/11/61/803151161.db2.gz DGKUNNNRESUTKC-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM CC(=O)Nc1ccccc1-c1cc(F)c([O-])c(F)c1 ZINC001244096325 803184366 /nfs/dbraw/zinc/18/43/66/803184366.db2.gz HRCKAJMURHDVOF-UHFFFAOYSA-N -1 1 263.243 3.296 20 0 CGADMM O=C1CC[C@@H](c2ccc(-c3cc(F)c([O-])c(F)c3)cc2)N1 ZINC001244099032 803186079 /nfs/dbraw/zinc/18/60/79/803186079.db2.gz UPSJAGVMFPSSJW-AWEZNQCLSA-N -1 1 289.281 3.289 20 0 CGADMM O=C([O-])CCc1ccc(-c2cc3nc[nH]c3cc2F)cc1 ZINC001244190569 803235334 /nfs/dbraw/zinc/23/53/34/803235334.db2.gz GPIBASKZSJFPQF-UHFFFAOYSA-N -1 1 284.290 3.386 20 0 CGADMM Clc1cc(C2CC2)ccc1-c1ccc(-c2nnn[n-]2)nc1 ZINC001244273736 803273268 /nfs/dbraw/zinc/27/32/68/803273268.db2.gz PLIKWZZKHRYZIA-UHFFFAOYSA-N -1 1 297.749 3.460 20 0 CGADMM Clc1cc(C2CC2)ccc1-c1ccc(-c2nn[n-]n2)nc1 ZINC001244273736 803273273 /nfs/dbraw/zinc/27/32/73/803273273.db2.gz PLIKWZZKHRYZIA-UHFFFAOYSA-N -1 1 297.749 3.460 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cc(C)ccc3O)cc2[n-]1 ZINC001244406999 803355530 /nfs/dbraw/zinc/35/55/30/803355530.db2.gz ZVOVCKAUABPJBQ-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cc(C)ccc3O)ccc2[n-]1 ZINC001244406999 803355536 /nfs/dbraw/zinc/35/55/36/803355536.db2.gz ZVOVCKAUABPJBQ-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM CCOc1ccc(C(=O)[O-])cc1-c1cncc2[nH]c(C)nc21 ZINC001244421145 803362128 /nfs/dbraw/zinc/36/21/28/803362128.db2.gz RJVCERAFKLSEQV-UHFFFAOYSA-N -1 1 297.314 3.030 20 0 CGADMM CCOc1ccc(C(=O)[O-])cc1-c1c[nH]cc2nc(C)nc1-2 ZINC001244421145 803362132 /nfs/dbraw/zinc/36/21/32/803362132.db2.gz RJVCERAFKLSEQV-UHFFFAOYSA-N -1 1 297.314 3.030 20 0 CGADMM Cc1cc(-c2ncc3c(ccn3C)n2)cc(Cl)c1[O-] ZINC001244531391 803423022 /nfs/dbraw/zinc/42/30/22/803423022.db2.gz JCQPHUSQZZCZRF-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM CN(C)c1ccnc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244537369 803425306 /nfs/dbraw/zinc/42/53/06/803425306.db2.gz DBELSFUILRKNRR-UHFFFAOYSA-N -1 1 266.703 3.313 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncnc3sncc32)c1F ZINC001244537591 803425734 /nfs/dbraw/zinc/42/57/34/803425734.db2.gz BNTMEFPSTOVJJX-UHFFFAOYSA-N -1 1 281.699 3.251 20 0 CGADMM Cc1cc(-c2c(Cl)ccc([O-])c2F)nc2[nH]cnc21 ZINC001244538059 803425770 /nfs/dbraw/zinc/42/57/70/803425770.db2.gz HIIGIMCJEKXIPB-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM CCCNc1ccnc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244537854 803425878 /nfs/dbraw/zinc/42/58/78/803425878.db2.gz GVQCEMLRGAAYLA-UHFFFAOYSA-N -1 1 281.718 3.464 20 0 CGADMM Cc1c(N)ccnc1-c1c(F)c([O-])ccc1Cl ZINC001244539284 803426667 /nfs/dbraw/zinc/42/66/67/803426667.db2.gz UQSXFGPHMAFEIM-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM COc1ncc(-c2c(Cl)ccc([O-])c2F)cc1F ZINC001244540925 803428381 /nfs/dbraw/zinc/42/83/81/803428381.db2.gz JPJCOHAOZYBIMK-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM CCOC(=O)c1ccc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244541853 803429762 /nfs/dbraw/zinc/42/97/62/803429762.db2.gz UWIIQVAOZLWGGJ-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM CNC(=O)c1ccc(-c2c(Cl)ccc([O-])c2F)cc1 ZINC001244541831 803429943 /nfs/dbraw/zinc/42/99/43/803429943.db2.gz UGLVJGQRUVIJAA-UHFFFAOYSA-N -1 1 279.698 3.211 20 0 CGADMM NC(=O)c1cccc(-c2c(F)c([O-])ccc2Cl)c1F ZINC001244543731 803430566 /nfs/dbraw/zinc/43/05/66/803430566.db2.gz UKHQIMHSWUHVKV-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM COC(=O)c1c(F)cncc1-c1c(Cl)ccc([O-])c1F ZINC001244543255 803430801 /nfs/dbraw/zinc/43/08/01/803430801.db2.gz QFANEXCZPPBWBC-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM Cc1noc(C(F)F)c1C(=O)[N-]c1nocc1C1CC1 ZINC001133060418 803451630 /nfs/dbraw/zinc/45/16/30/803451630.db2.gz FZTXWKQTUDROOY-UHFFFAOYSA-N -1 1 283.234 3.038 20 0 CGADMM O=C([O-])c1cc(-c2ccc(C3=NCCC3)cc2)cnc1F ZINC001244751681 803519614 /nfs/dbraw/zinc/51/96/14/803519614.db2.gz HVLQCESGXYJGRR-UHFFFAOYSA-N -1 1 284.290 3.169 20 0 CGADMM CC(C)CCn1nccc1NC(=O)c1ccc([O-])cc1F ZINC001135775582 803612848 /nfs/dbraw/zinc/61/28/48/803612848.db2.gz CYTFLKATHDVHTN-UHFFFAOYSA-N -1 1 291.326 3.026 20 0 CGADMM O=C(NCC1(c2ccccc2)CCCC1)c1ccc([O-])cn1 ZINC001135925393 803620587 /nfs/dbraw/zinc/62/05/87/803620587.db2.gz AIDRZTYGHMAEFQ-UHFFFAOYSA-N -1 1 296.370 3.029 20 0 CGADMM CCOC(=O)Cc1cccnc1-c1cc(Cl)ccc1[O-] ZINC001245048934 803621366 /nfs/dbraw/zinc/62/13/66/803621366.db2.gz IRYIXHDGYDVSOE-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM COCOc1ccc(-c2cc(Cl)ccc2[O-])nc1 ZINC001245049539 803622125 /nfs/dbraw/zinc/62/21/25/803622125.db2.gz QMGUPHTYYKJRMS-UHFFFAOYSA-N -1 1 265.696 3.090 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1cc(O[C@H]2CCOC2)ccn1 ZINC001245052826 803623662 /nfs/dbraw/zinc/62/36/62/803623662.db2.gz NYGYJMHNHLKLLF-LBPRGKRZSA-N -1 1 291.734 3.275 20 0 CGADMM COC(=O)c1cc(C)nc(-c2cc(Cl)ccc2[O-])c1 ZINC001245052294 803624262 /nfs/dbraw/zinc/62/42/62/803624262.db2.gz XBWWWSOZXUJBGT-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CC[C@@H](C)C[C@H](C)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001136967350 803664060 /nfs/dbraw/zinc/66/40/60/803664060.db2.gz ZDGAEEKYBXSZTI-PWSUYJOCSA-N -1 1 277.364 3.068 20 0 CGADMM CC(=O)Oc1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001212073325 814972418 /nfs/dbraw/zinc/97/24/18/814972418.db2.gz UIUXOVPTUUFOGK-UHFFFAOYSA-N -1 1 278.695 3.110 20 0 CGADMM O=C([O-])c1ccccc1-c1cc(O)c(F)c(F)c1F ZINC001245634992 803870685 /nfs/dbraw/zinc/87/06/85/803870685.db2.gz IUQFZODOWPFEKG-UHFFFAOYSA-N -1 1 268.190 3.175 20 0 CGADMM O=C(Nc1cnccc1-c1ccccc1)c1cncc([O-])c1 ZINC001138209571 803875174 /nfs/dbraw/zinc/87/51/74/803875174.db2.gz RERXRBOZKQBAJC-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM COC(=O)c1ccc(-c2c(F)ccc([O-])c2Cl)nc1C ZINC001245828319 803982324 /nfs/dbraw/zinc/98/23/24/803982324.db2.gz SHLULISCNLPZOS-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc3nccnc32)c1Cl ZINC001245828369 803982538 /nfs/dbraw/zinc/98/25/38/803982538.db2.gz STECAMQYOVQJTO-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM Cc1cc2ncnc(-c3c(F)ccc([O-])c3Cl)c2[nH]1 ZINC001245830131 803985169 /nfs/dbraw/zinc/98/51/69/803985169.db2.gz HXRYZPKMDXQLAK-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM COc1ccc(-c2c(F)ccc([O-])c2Cl)c(N)c1 ZINC001245831997 803985982 /nfs/dbraw/zinc/98/59/82/803985982.db2.gz RLJLFYHQILZOHQ-UHFFFAOYSA-N -1 1 267.687 3.443 20 0 CGADMM [O-]c1ccc(F)c(-c2cn3ncnc3cc2F)c1Cl ZINC001245834500 803988100 /nfs/dbraw/zinc/98/81/00/803988100.db2.gz IFKHQBIFXXVANF-UHFFFAOYSA-N -1 1 281.649 3.034 20 0 CGADMM O=c1ccc(-c2c(F)ccc([O-])c2Cl)nn1C1CCC1 ZINC001245835074 803988343 /nfs/dbraw/zinc/98/83/43/803988343.db2.gz OOPIQGUPMCGJQV-UHFFFAOYSA-N -1 1 294.713 3.133 20 0 CGADMM Cc1nc2cc(-c3c(F)ccc([O-])c3Cl)ccn2n1 ZINC001245832668 803988621 /nfs/dbraw/zinc/98/86/21/803988621.db2.gz RJJYBRWEBMQRHD-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM CCc1cc(=O)n(-c2cc(Cl)cc(Cl)c2)[n-]1 ZINC001245916795 804043944 /nfs/dbraw/zinc/04/39/44/804043944.db2.gz YGVCRJLGNZUXMN-UHFFFAOYSA-N -1 1 257.120 3.447 20 0 CGADMM CC(C)c1cc(=O)n(C(=S)c2ccc(F)cc2)[n-]1 ZINC001245918054 804044984 /nfs/dbraw/zinc/04/49/84/804044984.db2.gz ULRNHLCYOZDWDT-UHFFFAOYSA-N -1 1 264.325 3.075 20 0 CGADMM CCCc1cc(=O)n(-c2cccc3ccc(O)cc32)[n-]1 ZINC001245925737 804052170 /nfs/dbraw/zinc/05/21/70/804052170.db2.gz WHOLGRSHUPTJLH-UHFFFAOYSA-N -1 1 268.316 3.389 20 0 CGADMM CC(C)(C)Cc1cc(=O)n(-c2cc(F)cc(F)c2)[n-]1 ZINC001245933625 804063818 /nfs/dbraw/zinc/06/38/18/804063818.db2.gz WDBCEKDYTUKIAC-UHFFFAOYSA-N -1 1 266.291 3.445 20 0 CGADMM CCC(CC)Cn1[n-]c(-c2ccc(N)cc2)cc1=O ZINC001245938242 804069612 /nfs/dbraw/zinc/06/96/12/804069612.db2.gz VRZWBIYXZBTLDN-UHFFFAOYSA-N -1 1 259.353 3.274 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1cccc2ncccc21 ZINC001245953148 804087834 /nfs/dbraw/zinc/08/78/34/804087834.db2.gz KODMDEUCKJTEMV-UHFFFAOYSA-N -1 1 265.316 3.079 20 0 CGADMM Oc1cccc(C[N@@H+]2CCC3(CC3)C2)c1Br ZINC001140547695 804458251 /nfs/dbraw/zinc/45/82/51/804458251.db2.gz KCWWJYYFOKZUKR-UHFFFAOYSA-N -1 1 282.181 3.141 20 0 CGADMM [O-]c1ccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c(F)c1F ZINC001140887692 804540146 /nfs/dbraw/zinc/54/01/46/804540146.db2.gz DLGANLRZJVFRPA-AOOOYVTPSA-N -1 1 289.272 3.148 20 0 CGADMM [O-]c1ccc(CN2CCCC(F)(F)[C@@H](F)C2)c(F)c1F ZINC001140889239 804543093 /nfs/dbraw/zinc/54/30/93/804543093.db2.gz CJLLBYZPORSQIJ-JTQLQIEISA-N -1 1 295.251 3.240 20 0 CGADMM CN(Cc1cccc(O)c1)Cc1ccc([O-])c(F)c1F ZINC001140889981 804543609 /nfs/dbraw/zinc/54/36/09/804543609.db2.gz SEZJXTZXRKTQKQ-UHFFFAOYSA-N -1 1 279.286 3.008 20 0 CGADMM [O-]c1ccc(CN2CC3(C2)CCCCC3)c(F)c1F ZINC001140893593 804545687 /nfs/dbraw/zinc/54/56/87/804545687.db2.gz URROAVIZENSCHK-UHFFFAOYSA-N -1 1 267.319 3.437 20 0 CGADMM O=C(CCCc1nccs1)Nc1cc([O-])c(F)cc1F ZINC001141833791 804671597 /nfs/dbraw/zinc/67/15/97/804671597.db2.gz MQAPWKBTQNAZFL-UHFFFAOYSA-N -1 1 298.314 3.088 20 0 CGADMM Cc1cc(-c2noc(-c3ncccc3[O-])n2)c(F)cc1F ZINC001212480870 815034781 /nfs/dbraw/zinc/03/47/81/815034781.db2.gz NMNSTJMDSVXFAG-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1cc(C(=O)Nc2cc(F)cc(F)c2[O-])sc1C=O ZINC001142542289 804736158 /nfs/dbraw/zinc/73/61/58/804736158.db2.gz PFHQTYCNEQLZDG-UHFFFAOYSA-N -1 1 297.282 3.105 20 0 CGADMM CC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCCCO1 ZINC001144101046 804936010 /nfs/dbraw/zinc/93/60/10/804936010.db2.gz MESTZKBXPNNKFS-OCCSQVGLSA-N -1 1 297.782 3.123 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cc2cccnc2[nH]1 ZINC001248724663 804978803 /nfs/dbraw/zinc/97/88/03/804978803.db2.gz KWJUTPAPWJQHIZ-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM [O-]c1cc(F)c(CN2CCC(C(F)(F)F)CC2)c(F)c1 ZINC001144544827 805000593 /nfs/dbraw/zinc/00/05/93/805000593.db2.gz IWMRVEWXVVMHTK-UHFFFAOYSA-N -1 1 295.251 3.445 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@H]2c2nccs2)c(F)c1 ZINC001144558986 805004383 /nfs/dbraw/zinc/00/43/83/805004383.db2.gz IBTMJXMQUXJKTF-CYBMUJFWSA-N -1 1 296.342 3.464 20 0 CGADMM [O-]c1cc(F)c(CN2CCC(C(F)(F)F)CC2)cc1F ZINC001144647581 805022531 /nfs/dbraw/zinc/02/25/31/805022531.db2.gz HMVYMLOZHWPHQM-UHFFFAOYSA-N -1 1 295.251 3.445 20 0 CGADMM O=C([O-])c1ccsc1CN1CCc2sccc2C1 ZINC001144670256 805030044 /nfs/dbraw/zinc/03/00/44/805030044.db2.gz GWAYJALICXZUKK-UHFFFAOYSA-N -1 1 279.386 3.066 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1CCCC[C@@H]1C1CC1 ZINC001146550969 805073596 /nfs/dbraw/zinc/07/35/96/805073596.db2.gz MYNLVQZISGWKKG-CABCVRRESA-N -1 1 277.339 3.452 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ncc3ccccc3c2[O-])[C@@H](C)C1 ZINC001146811848 805091975 /nfs/dbraw/zinc/09/19/75/805091975.db2.gz BFDVOFCUKLINAR-XUJVJEKNSA-N -1 1 298.386 3.495 20 0 CGADMM Cc1c(F)cccc1NC(=O)c1cccc([O-])c1F ZINC001147887891 805155638 /nfs/dbraw/zinc/15/56/38/805155638.db2.gz FLFMHXICTTUEGA-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cocn1 ZINC001148252491 805171135 /nfs/dbraw/zinc/17/11/35/805171135.db2.gz KNDLUNYLZVSOQV-UHFFFAOYSA-N -1 1 288.690 3.439 20 0 CGADMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccsc3)cc2)[n-]1 ZINC001148326508 805176074 /nfs/dbraw/zinc/17/60/74/805176074.db2.gz PLKQYSQHJPFKNK-UHFFFAOYSA-N -1 1 299.355 3.113 20 0 CGADMM Cc1c(N)c(F)ccc1Nc1ccnc(Cl)c1[O-] ZINC001249635079 805195858 /nfs/dbraw/zinc/19/58/58/805195858.db2.gz WDFKXFURCMFAMK-UHFFFAOYSA-N -1 1 267.691 3.214 20 0 CGADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)[C@H](C)c1ccccc1 ZINC001148723273 805207534 /nfs/dbraw/zinc/20/75/34/805207534.db2.gz ICGCTEZYYJGULD-NWDGAFQWSA-N -1 1 287.334 3.453 20 0 CGADMM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc([O-])cn1 ZINC001149224595 805225897 /nfs/dbraw/zinc/22/58/97/805225897.db2.gz TWXONEMFSKAEHP-UHFFFAOYSA-N -1 1 295.298 3.058 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc2cccnc2c1[O-] ZINC001149314919 805228688 /nfs/dbraw/zinc/22/86/88/805228688.db2.gz PWRFZSMWWGCLNK-TXEJJXNPSA-N -1 1 284.359 3.344 20 0 CGADMM O=C([O-])c1c(F)ccc(CN2CCC3(CC3)CC2)c1F ZINC001249763588 805237813 /nfs/dbraw/zinc/23/78/13/805237813.db2.gz JZRWSQUTKKHLHG-UHFFFAOYSA-N -1 1 281.302 3.039 20 0 CGADMM O=C(N[C@H]1CC=CCC1)c1cc2cccc(O)c2cc1[O-] ZINC001149656644 805240671 /nfs/dbraw/zinc/24/06/71/805240671.db2.gz MCLMLNLIRXREHN-LBPRGKRZSA-N -1 1 283.327 3.090 20 0 CGADMM O=C(N[C@H]1C=CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001150007620 805250984 /nfs/dbraw/zinc/25/09/84/805250984.db2.gz UYEMCSDIYVEOBZ-JTQLQIEISA-N -1 1 285.265 3.250 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cccc(O)c1F ZINC001212549374 815063588 /nfs/dbraw/zinc/06/35/88/815063588.db2.gz JTZRQQSRDQNWEW-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM O=C(Nc1ccccc1[S-])c1cc2cccnc2[nH]1 ZINC001151546943 805297449 /nfs/dbraw/zinc/29/74/49/805297449.db2.gz JVFRPFHXLXEVNA-UHFFFAOYSA-N -1 1 269.329 3.104 20 0 CGADMM Cc1cc(C[C@@H](C)Nc2cc([O-])c(F)c(F)c2F)on1 ZINC001249958433 805325469 /nfs/dbraw/zinc/32/54/69/805325469.db2.gz NSTQOTMTLAWEJH-ZCFIWIBFSA-N -1 1 286.253 3.149 20 0 CGADMM O=c1cc(Nc2cc([O-])c(F)c(F)c2F)cc(Cl)[nH]1 ZINC001249960443 805326135 /nfs/dbraw/zinc/32/61/35/805326135.db2.gz HUWKXKFJIZIJSV-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM [O-]c1cc(Nc2cnn3ccccc23)c(F)c(F)c1F ZINC001249961027 805328356 /nfs/dbraw/zinc/32/83/56/805328356.db2.gz BJJDYDYLLQGKSU-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM O=c1[nH]oc2ccc(Nc3cc([O-])c(F)c(F)c3F)cc12 ZINC001249965920 805332392 /nfs/dbraw/zinc/33/23/92/805332392.db2.gz RWXHVSZMYDRKNC-UHFFFAOYSA-N -1 1 296.204 3.400 20 0 CGADMM CC1(C)C2CCC1(C(=O)[N-]OC1CCCC1)CC2 ZINC001152463952 805351432 /nfs/dbraw/zinc/35/14/32/805351432.db2.gz CUIDYBHPNOTGTC-UHFFFAOYSA-N -1 1 251.370 3.193 20 0 CGADMM COC(=O)c1ccc(Nc2cc(Cl)c([O-])cc2F)o1 ZINC001250019800 805370677 /nfs/dbraw/zinc/37/06/77/805370677.db2.gz GIBROUYUWACZBN-UHFFFAOYSA-N -1 1 285.658 3.308 20 0 CGADMM NC(=O)c1sccc1Nc1cc(Cl)c([O-])cc1F ZINC001250021007 805372584 /nfs/dbraw/zinc/37/25/84/805372584.db2.gz WEMXBXMIZCFNQX-UHFFFAOYSA-N -1 1 286.715 3.089 20 0 CGADMM O=C(c1c([O-])ccc2ccccc21)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001153506266 805400528 /nfs/dbraw/zinc/40/05/28/805400528.db2.gz UQSNTYHUTXSORI-SGMGOOAPSA-N -1 1 285.318 3.118 20 0 CGADMM COC(=O)c1ccc(Cc2cc([O-])c(F)c(F)c2F)cc1 ZINC001250129294 805432444 /nfs/dbraw/zinc/43/24/44/805432444.db2.gz IDBZNVIHELOKSI-UHFFFAOYSA-N -1 1 296.244 3.187 20 0 CGADMM COC(=O)c1ccc(Cc2cc(F)c([O-])cc2F)cc1 ZINC001250129453 805432517 /nfs/dbraw/zinc/43/25/17/805432517.db2.gz NGLKLWPEGOIPRG-UHFFFAOYSA-N -1 1 278.254 3.048 20 0 CGADMM CCOC(=O)c1ccc(CC)cc1[N-]c1nc(C)ns1 ZINC001250172686 805458711 /nfs/dbraw/zinc/45/87/11/805458711.db2.gz TZMXNMCZJRBLMA-UHFFFAOYSA-N -1 1 291.376 3.329 20 0 CGADMM CCN(CC)C(=O)c1cc2cc(OC)ccc2cc1[O-] ZINC001154743949 805481364 /nfs/dbraw/zinc/48/13/64/805481364.db2.gz DZBANKWXJORCNY-UHFFFAOYSA-N -1 1 273.332 3.036 20 0 CGADMM COC(=O)c1cccc(Cc2cc(F)c([O-])c(F)c2)c1 ZINC001250192974 805481826 /nfs/dbraw/zinc/48/18/26/805481826.db2.gz BYCMWZONZKRTDU-UHFFFAOYSA-N -1 1 278.254 3.048 20 0 CGADMM O=C(OCCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001250214071 805495345 /nfs/dbraw/zinc/49/53/45/805495345.db2.gz RXYWVPJDCHMSLC-UHFFFAOYSA-N -1 1 278.254 3.070 20 0 CGADMM Cc1cnc(Nc2c(F)ccc([O-])c2Cl)nc1C ZINC001250228085 805504349 /nfs/dbraw/zinc/50/43/49/805504349.db2.gz KIJKOZBWEIJCPX-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM CSc1nccc(Nc2c(F)ccc([O-])c2Cl)n1 ZINC001250228271 805505511 /nfs/dbraw/zinc/50/55/11/805505511.db2.gz UCLAKIHYFRWMLE-UHFFFAOYSA-N -1 1 285.731 3.440 20 0 CGADMM CCN(C)c1ncc(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250233625 805508172 /nfs/dbraw/zinc/50/81/72/805508172.db2.gz AGZRSSAPYNEZBV-UHFFFAOYSA-N -1 1 296.733 3.174 20 0 CGADMM Nc1ccc2c(cnn2-c2c(F)ccc([O-])c2Cl)c1 ZINC001250234264 805509163 /nfs/dbraw/zinc/50/91/63/805509163.db2.gz NNCGROQDISIVNO-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM COc1ccc(Cc2cc([O-])c(F)c(F)c2F)cc1 ZINC001250285510 805541349 /nfs/dbraw/zinc/54/13/49/805541349.db2.gz CVBFCRJNJKPDBR-UHFFFAOYSA-N -1 1 268.234 3.409 20 0 CGADMM Cc1ccc(Cl)c(-c2noc(-c3ccncc3[O-])n2)c1 ZINC001212721349 815113959 /nfs/dbraw/zinc/11/39/59/815113959.db2.gz LQCXJCLXZJZNON-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM Cc1cc(C)cc(-c2noc(-c3ccncc3[O-])n2)c1 ZINC001212721475 815114020 /nfs/dbraw/zinc/11/40/20/815114020.db2.gz SGLFCHHUXUNVLU-UHFFFAOYSA-N -1 1 267.288 3.121 20 0 CGADMM O=S(=O)([N-]c1cc(Cl)ccc1C(F)(F)F)C1CC1 ZINC001259275640 807677731 /nfs/dbraw/zinc/67/77/31/807677731.db2.gz MORNYAVXWKLCCC-UHFFFAOYSA-N -1 1 299.701 3.263 20 0 CGADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(C)(C)C ZINC001259459846 807678783 /nfs/dbraw/zinc/67/87/83/807678783.db2.gz NMUQIVIXEJIWSR-QMMMGPOBSA-N -1 1 293.791 3.192 20 0 CGADMM CC(C)(C)c1ccc(Nc2[n-]c(=O)nc3nc[nH]c32)cc1 ZINC001170227918 807798466 /nfs/dbraw/zinc/79/84/66/807798466.db2.gz XHELBUSSXIFFGA-UHFFFAOYSA-N -1 1 283.335 3.100 20 0 CGADMM CCn1cc(Nc2cc([O-])c(Cl)cc2F)ccc1=O ZINC001212912783 815183650 /nfs/dbraw/zinc/18/36/50/815183650.db2.gz VCTWXMTVSOLMSH-UHFFFAOYSA-N -1 1 282.702 3.110 20 0 CGADMM CC(=O)c1ccc([N-]c2nnc(C(C)(C)C)o2)cc1 ZINC001173893942 808747196 /nfs/dbraw/zinc/74/71/96/808747196.db2.gz DLECWEURFVPNDE-UHFFFAOYSA-N -1 1 259.309 3.313 20 0 CGADMM CC(C)c1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001173894967 808747962 /nfs/dbraw/zinc/74/79/62/808747962.db2.gz DNYCBSLYIREHGG-UHFFFAOYSA-N -1 1 267.332 3.437 20 0 CGADMM CN(C)C(=O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001174007373 808818041 /nfs/dbraw/zinc/81/80/41/808818041.db2.gz CWVUTGDLYGQTTK-UHFFFAOYSA-N -1 1 292.285 3.116 20 0 CGADMM COc1cccc(Nc2cc(F)c([O-])cc2F)c1OC ZINC001174018578 808826245 /nfs/dbraw/zinc/82/62/45/808826245.db2.gz ICDKAERPHQLFGD-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc2c(c1)NCC2 ZINC001213149925 815245128 /nfs/dbraw/zinc/24/51/28/815245128.db2.gz NAJSBURSAPICOG-UHFFFAOYSA-N -1 1 261.712 3.152 20 0 CGADMM Cn1ncc2ccc(Nc3c([O-])cc(F)cc3F)cc21 ZINC001174339494 808960640 /nfs/dbraw/zinc/96/06/40/808960640.db2.gz KOKDWDNNQAOGMV-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM CC(C)COc1ccccc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001213256237 815259813 /nfs/dbraw/zinc/25/98/13/815259813.db2.gz UXHVFHVJFPJBDH-UHFFFAOYSA-N -1 1 297.358 3.348 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cccc2[nH]ccc21 ZINC001174645378 809115527 /nfs/dbraw/zinc/11/55/27/809115527.db2.gz HWIDEDBWMMTRDU-UHFFFAOYSA-N -1 1 287.304 3.094 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc(O)c(F)c1 ZINC001174732364 809144592 /nfs/dbraw/zinc/14/45/92/809144592.db2.gz FEIJNGWPPMABCX-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM CN(C)c1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1 ZINC001174877707 809186914 /nfs/dbraw/zinc/18/69/14/809186914.db2.gz PNHJMPSUXOBJID-UHFFFAOYSA-N -1 1 296.326 3.308 20 0 CGADMM CC(C)c1nnc([N-]c2cccc3ncccc23)o1 ZINC001174905803 809195571 /nfs/dbraw/zinc/19/55/71/809195571.db2.gz ZHBNEAZFDDAIDA-UHFFFAOYSA-N -1 1 254.293 3.485 20 0 CGADMM CCOc1ccc(Nc2cc(=O)[n-]c(SC)n2)cc1F ZINC001175067547 809257942 /nfs/dbraw/zinc/25/79/42/809257942.db2.gz FIYXXHVYWYFZGS-UHFFFAOYSA-N -1 1 295.339 3.186 20 0 CGADMM CC(=O)c1cccc(Nc2c(F)cc([O-])cc2F)c1O ZINC001175096631 809269141 /nfs/dbraw/zinc/26/91/41/809269141.db2.gz GNUNZJBAYRECGF-UHFFFAOYSA-N -1 1 279.242 3.322 20 0 CGADMM COc1cc(Nc2c([O-])cc(F)cc2F)cc(OC)c1 ZINC001175107977 809274804 /nfs/dbraw/zinc/27/48/04/809274804.db2.gz JFHOQFVJYZWGHB-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM CC(=O)c1ccccc1[N-]c1nnc(Br)s1 ZINC001175172396 809297029 /nfs/dbraw/zinc/29/70/29/809297029.db2.gz OMFQEQBBMQPRCD-UHFFFAOYSA-N -1 1 298.165 3.247 20 0 CGADMM C[S@@](=O)c1ccccc1Nc1cc(F)c([O-])cc1F ZINC001175312178 809351116 /nfs/dbraw/zinc/35/11/16/809351116.db2.gz ZFDALPPWGMEYAS-LJQANCHMSA-N -1 1 283.299 3.151 20 0 CGADMM Cn1ncc2c1cccc2Nc1cc(F)c([O-])cc1F ZINC001175437815 809405538 /nfs/dbraw/zinc/40/55/38/809405538.db2.gz KDTJVXPMZAVVHG-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCC[C@H]1C1CCCC1 ZINC001291906177 809424911 /nfs/dbraw/zinc/42/49/11/809424911.db2.gz XKDRQUDBKHAGLU-ZDUSSCGKSA-N -1 1 277.339 3.326 20 0 CGADMM Cc1cc([N-]c2nnc(-c3ccco3)o2)cc2c[nH]nc21 ZINC001175515878 809436380 /nfs/dbraw/zinc/43/63/80/809436380.db2.gz GXLQCFPPSJLSKJ-UHFFFAOYSA-N -1 1 281.275 3.258 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2sc(C)nc2C)c1 ZINC001294422789 809468258 /nfs/dbraw/zinc/46/82/58/809468258.db2.gz VDTUURRAGULGDQ-UHFFFAOYSA-N -1 1 294.401 3.440 20 0 CGADMM O=c1ccn(-c2ccc(Nc3cccc4c[nH]nc43)cc2)[n-]1 ZINC001175639949 809484949 /nfs/dbraw/zinc/48/49/49/809484949.db2.gz IGIHNJKRDZRBCY-UHFFFAOYSA-N -1 1 291.314 3.198 20 0 CGADMM Cc1nc(N)ncc1Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001175674597 809501252 /nfs/dbraw/zinc/50/12/52/809501252.db2.gz MNGDNOPQSXURSL-UHFFFAOYSA-N -1 1 299.161 3.432 20 0 CGADMM CC(C)(C)c1nc([N-]c2ccnc(Br)c2)no1 ZINC001175742923 809527800 /nfs/dbraw/zinc/52/78/00/809527800.db2.gz MFXQKVDKNXQGSU-UHFFFAOYSA-N -1 1 297.156 3.268 20 0 CGADMM CC(=O)c1cc(C(=O)Nc2cc([O-])c(F)cc2F)cs1 ZINC001298971896 809542443 /nfs/dbraw/zinc/54/24/43/809542443.db2.gz BVFUBXGGKOLLTI-UHFFFAOYSA-N -1 1 297.282 3.187 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1C[C@@H]1c1ccccc1 ZINC001299581275 809552157 /nfs/dbraw/zinc/55/21/57/809552157.db2.gz OGHNYTFMGLNWLC-NEPJUHHUSA-N -1 1 289.281 3.413 20 0 CGADMM Cc1cccc(F)c1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001299580109 809552400 /nfs/dbraw/zinc/55/24/00/809552400.db2.gz CSLPMEAXGRCIFH-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM Cc1ccc(C[C@@H](C)C(=O)[N-]Oc2ccccc2F)cc1 ZINC001303333248 809607909 /nfs/dbraw/zinc/60/79/09/809607909.db2.gz YJLZVHKRRTUSKQ-CYBMUJFWSA-N -1 1 287.334 3.423 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc(F)c([O-])c2)Cc2ccccc21 ZINC001303332200 809608312 /nfs/dbraw/zinc/60/83/12/809608312.db2.gz SYTGRCGDRRQVML-NSHDSACASA-N -1 1 285.318 3.291 20 0 CGADMM COCc1ccc(C)c(Nc2cc(=O)[n-]c(SC)n2)c1 ZINC001213572118 815305450 /nfs/dbraw/zinc/30/54/50/815305450.db2.gz XYVIDQQQUIADTE-UHFFFAOYSA-N -1 1 291.376 3.103 20 0 CGADMM O=C([O-])CCc1ccc(Nc2ccc3nccn3c2)cc1 ZINC001213620855 815311822 /nfs/dbraw/zinc/31/18/22/815311822.db2.gz BXLPMBDUFSVEII-UHFFFAOYSA-N -1 1 281.315 3.095 20 0 CGADMM Cc1nc(Cl)cc(Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176663407 809736871 /nfs/dbraw/zinc/73/68/71/809736871.db2.gz DSJSVSKYEPDAOI-UHFFFAOYSA-N -1 1 289.644 3.305 20 0 CGADMM COc1cc(CO)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176670255 809739810 /nfs/dbraw/zinc/73/98/10/809739810.db2.gz CKEGHDONLDSVDV-UHFFFAOYSA-N -1 1 299.248 3.054 20 0 CGADMM [O-]c1cnc(Cl)c(-c2nc(-c3ccccc3)no2)c1 ZINC001213696239 815322626 /nfs/dbraw/zinc/32/26/26/815322626.db2.gz NHKQLWGDZQJQHT-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM C[C@H]1CCC[C@@H](C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC001184504359 810204681 /nfs/dbraw/zinc/20/46/81/810204681.db2.gz UVNSSWNLXZZKGI-QWHCGFSZSA-N -1 1 299.374 3.343 20 0 CGADMM O=c1[nH]ccc2ccc(Nc3ccnc(Cl)c3[O-])cc21 ZINC001213955414 815350922 /nfs/dbraw/zinc/35/09/22/815350922.db2.gz CWJCVPDJKAZILB-UHFFFAOYSA-N -1 1 287.706 3.438 20 0 CGADMM O=C(NCCc1ccccc1)Nc1cc([O-])c(F)cc1F ZINC001184939924 810224137 /nfs/dbraw/zinc/22/41/37/810224137.db2.gz SLACZFKGHDNZTN-UHFFFAOYSA-N -1 1 292.285 3.035 20 0 CGADMM O=C(NCc1cccc(F)c1)Nc1cc(F)c([O-])c(F)c1 ZINC001185826002 810296013 /nfs/dbraw/zinc/29/60/13/810296013.db2.gz YPDGULFDDKUOHG-UHFFFAOYSA-N -1 1 296.248 3.131 20 0 CGADMM O=C(Nc1cccc([O-])c1Cl)NC1CCCC1 ZINC001185901497 810301058 /nfs/dbraw/zinc/30/10/58/810301058.db2.gz BFINOIXQNJFRGA-UHFFFAOYSA-N -1 1 254.717 3.110 20 0 CGADMM [O-]c1ccc(CNc2cncc(Cl)n2)cc1Cl ZINC001187509450 810400849 /nfs/dbraw/zinc/40/08/49/810400849.db2.gz COPFFFWMUFYWBN-UHFFFAOYSA-N -1 1 270.119 3.101 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@H](OC)C2CCCC2)n1 ZINC001188161685 810460664 /nfs/dbraw/zinc/46/06/64/810460664.db2.gz CDPSVYLQXPAVRJ-ZDUSSCGKSA-N -1 1 296.436 3.432 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2ccncc2)ccc1C(C)C ZINC001190888669 810655556 /nfs/dbraw/zinc/65/55/56/810655556.db2.gz ZDHCDIPHFHSCJB-UHFFFAOYSA-N -1 1 290.388 3.314 20 0 CGADMM Cc1ccc(O)cc1[N-]c1nnc(-c2ccco2)o1 ZINC001214339269 815397891 /nfs/dbraw/zinc/39/78/91/815397891.db2.gz YLNIPOIJILKXFV-UHFFFAOYSA-N -1 1 257.249 3.087 20 0 CGADMM CC(=O)c1ccsc1NC(=O)c1c(F)ccc([O-])c1F ZINC001192524344 810805067 /nfs/dbraw/zinc/80/50/67/810805067.db2.gz LTEOFJFBFTWSDR-UHFFFAOYSA-N -1 1 297.282 3.187 20 0 CGADMM CC(C)c1cccc(NC(=O)c2cc([O-])cc(F)c2F)n1 ZINC001192652384 810813854 /nfs/dbraw/zinc/81/38/54/810813854.db2.gz ZWLAXLLGFMAMCX-UHFFFAOYSA-N -1 1 292.285 3.441 20 0 CGADMM CCCC[C@H](C)NC(=O)Nc1cc(F)c([O-])c(F)c1 ZINC001193059808 810848744 /nfs/dbraw/zinc/84/87/44/810848744.db2.gz CUVLOQIUQSRLCZ-QMMMGPOBSA-N -1 1 272.295 3.371 20 0 CGADMM CCCCC[C@H]1CC[C@H](OCC[P@](=O)([O-])O)CC1 ZINC001224603057 816832806 /nfs/dbraw/zinc/83/28/06/816832806.db2.gz VGROOTMIGSHBDY-JOCQHMNTSA-N -1 1 278.329 3.320 20 0 CGADMM COc1ccc(Nc2cc(F)c([O-])c(Cl)c2)nc1OC ZINC001214479884 815415052 /nfs/dbraw/zinc/41/50/52/815415052.db2.gz IIRBSJWZOLWIDD-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM CC(C)(C)COC(=O)Nc1ccc([O-])c(F)c1F ZINC001194383088 811061988 /nfs/dbraw/zinc/06/19/88/811061988.db2.gz BNTOPIXABQXCBD-UHFFFAOYSA-N -1 1 259.252 3.265 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2C)c(C)n1 ZINC001194603629 811092621 /nfs/dbraw/zinc/09/26/21/811092621.db2.gz YRUMVCWHZUISHD-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM COc1ccccc1OC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001195273142 811236025 /nfs/dbraw/zinc/23/60/25/811236025.db2.gz NRTXNQNCGZANAP-UHFFFAOYSA-N -1 1 295.241 3.290 20 0 CGADMM CC(C)CCC[C@H](C)NC(=O)c1cc([O-])cnc1Cl ZINC001195312998 811241535 /nfs/dbraw/zinc/24/15/35/811241535.db2.gz NMBJRAFEEMAODF-JTQLQIEISA-N -1 1 284.787 3.385 20 0 CGADMM O=S(=O)([N-]c1ccccc1C(F)F)c1ccc(O)cc1 ZINC001195795008 811293343 /nfs/dbraw/zinc/29/33/43/811293343.db2.gz UKWNDSAHFJODJJ-UHFFFAOYSA-N -1 1 299.298 3.131 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1F)NC1CCCCC1 ZINC001202616575 812137859 /nfs/dbraw/zinc/13/78/59/812137859.db2.gz JSQDKACVYSXWHS-UHFFFAOYSA-N -1 1 270.279 3.125 20 0 CGADMM CC(C)n1ccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001203157024 812254976 /nfs/dbraw/zinc/25/49/76/812254976.db2.gz CXEQSFDEPPHPGA-UHFFFAOYSA-N -1 1 258.281 3.456 20 0 CGADMM Cc1cccc(CO)c1Nc1cc(F)c([O-])cc1F ZINC001215576002 815538430 /nfs/dbraw/zinc/53/84/30/815538430.db2.gz JMLSSEBSNUKORT-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM CC(=O)c1cccc(O)c1Nc1cc(F)c([O-])cc1F ZINC001215573815 815538202 /nfs/dbraw/zinc/53/82/02/815538202.db2.gz IYCLNLFSUNJQPX-UHFFFAOYSA-N -1 1 279.242 3.322 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc(C3=NCCO3)c2)cc1F ZINC001215576876 815540101 /nfs/dbraw/zinc/54/01/01/815540101.db2.gz LVPKUUMRWGIJGO-UHFFFAOYSA-N -1 1 290.269 3.191 20 0 CGADMM [O-]c1c(Cl)c(Cl)ccc1Nc1cnc2ccnn2c1 ZINC001204820092 812746595 /nfs/dbraw/zinc/74/65/95/812746595.db2.gz AZTPLFWWJGSYHC-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM COc1nc(-c2ccc([O-])cc2F)ncc1C(F)(F)F ZINC001206038439 813176959 /nfs/dbraw/zinc/17/69/59/813176959.db2.gz YVSMEDXEHGVLCY-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cc(F)ccc1CO ZINC001210184731 814325074 /nfs/dbraw/zinc/32/50/74/814325074.db2.gz FGJCDJBLYMQWAW-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM COc1cc(Nc2cc([O-])c(Cl)cc2F)c(OC)cn1 ZINC001210311062 814397293 /nfs/dbraw/zinc/39/72/93/814397293.db2.gz XYRLUECPTDMZDQ-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM CC(C)n1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cn1 ZINC001210325243 814407531 /nfs/dbraw/zinc/40/75/31/814407531.db2.gz YDJTUGVPNIDMGS-UHFFFAOYSA-N -1 1 283.335 3.099 20 0 CGADMM COc1c(F)cccc1[N-]c1nnc(C(C)C)o1 ZINC001210399580 814445372 /nfs/dbraw/zinc/44/53/72/814445372.db2.gz UKFGZVGPLFWSIW-UHFFFAOYSA-N -1 1 251.261 3.084 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(CO)c(F)c2)cc1F ZINC001210487103 814484714 /nfs/dbraw/zinc/48/47/14/814484714.db2.gz JRYBENGDQOQXNU-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM COc1cc(F)c(F)cc1[N-]c1nnc(C(C)(C)C)o1 ZINC001210546686 814518535 /nfs/dbraw/zinc/51/85/35/814518535.db2.gz JINNBGHDWMVEQY-UHFFFAOYSA-N -1 1 283.278 3.398 20 0 CGADMM COc1nccc2c(-c3cccc([O-])c3Cl)ncnc21 ZINC001242798387 823135889 /nfs/dbraw/zinc/13/58/89/823135889.db2.gz UXCGUEZEOSAQMO-UHFFFAOYSA-N -1 1 287.706 3.059 20 0 CGADMM Cc1nc2ccc(F)cn2c1Nc1ccccc1C(=O)[O-] ZINC001210965064 814692935 /nfs/dbraw/zinc/69/29/35/814692935.db2.gz DULIMSKOQFAGID-UHFFFAOYSA-N -1 1 285.278 3.224 20 0 CGADMM CCCOc1nccnc1-c1cccc([O-])c1Cl ZINC001242801766 823137241 /nfs/dbraw/zinc/13/72/41/823137241.db2.gz YIZZCFVOIAXARM-UHFFFAOYSA-N -1 1 264.712 3.291 20 0 CGADMM CCOC(=O)c1cc(-c2cccc([O-])c2Cl)ccn1 ZINC001242800706 823137354 /nfs/dbraw/zinc/13/73/54/823137354.db2.gz LJOQVPXZGQFFKT-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM Cc1cc(-c2nn[nH]n2)ccc1-c1cccc([O-])c1Cl ZINC001242802633 823137904 /nfs/dbraw/zinc/13/79/04/823137904.db2.gz DCSOWQPXLYGPKB-UHFFFAOYSA-N -1 1 286.722 3.201 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc(F)c(O)c1 ZINC001211217461 814852980 /nfs/dbraw/zinc/85/29/80/814852980.db2.gz PTMOREDMUHPXOK-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM Cc1c2cc[nH]c2ncc1-c1cc(F)c([O-])cc1F ZINC001211337973 814881552 /nfs/dbraw/zinc/88/15/52/814881552.db2.gz ANEWXJPAVPTEHG-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(C3OCCO3)cc2)cc1F ZINC001211339984 814882261 /nfs/dbraw/zinc/88/22/61/814882261.db2.gz RKIXNHWHIXMUKL-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM COc1cc(-c2cc(F)c([O-])cc2F)cnc1C ZINC001211338711 814882271 /nfs/dbraw/zinc/88/22/71/814882271.db2.gz HZLQWIPIJHWARK-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COCOc1ccccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001211549465 814906693 /nfs/dbraw/zinc/90/66/93/814906693.db2.gz JYENFOAUESHITH-UHFFFAOYSA-N -1 1 277.324 3.093 20 0 CGADMM CN(C)Cc1cccc([N-]c2nnc(C(C)(C)C)o2)c1F ZINC001216227259 815745326 /nfs/dbraw/zinc/74/53/26/815745326.db2.gz XXIRZOCXTMPNPT-UHFFFAOYSA-N -1 1 292.358 3.311 20 0 CGADMM COc1cnc(F)c(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001216408554 815817224 /nfs/dbraw/zinc/81/72/24/815817224.db2.gz AEODEXCAGBLMHX-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM Cc1cc(C)nc(Nc2cccc(C(=O)[O-])c2C)c1 ZINC001216658656 815886831 /nfs/dbraw/zinc/88/68/31/815886831.db2.gz JKHDSOAQPMPGKG-UHFFFAOYSA-N -1 1 256.305 3.449 20 0 CGADMM Cc1ccnc(-c2noc(-c3cc([O-])cc(F)c3F)n2)c1 ZINC001216924633 815901539 /nfs/dbraw/zinc/90/15/39/815901539.db2.gz TVKDAPIPPGKHEK-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM COc1cccc(-c2noc(-c3c(C)cc(O)cc3[O-])n2)c1 ZINC001216987524 815904977 /nfs/dbraw/zinc/90/49/77/815904977.db2.gz VOVWHWMDWUBSMU-UHFFFAOYSA-N -1 1 298.298 3.132 20 0 CGADMM Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001219313474 816268530 /nfs/dbraw/zinc/26/85/30/816268530.db2.gz XOPMNMOSXZSKGF-UHFFFAOYSA-N -1 1 296.248 3.246 20 0 CGADMM Cn1c(=O)ccc2ccc(-c3cc(F)c([O-])cc3F)cc21 ZINC001222083030 816343855 /nfs/dbraw/zinc/34/38/55/816343855.db2.gz JPKSTXHNUGJPBQ-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM O=C([O-])C1(c2ccc(-c3ccc4nc[nH]c4c3)cc2)CC1 ZINC001222678669 816497476 /nfs/dbraw/zinc/49/74/76/816497476.db2.gz KRSCSYAWFMAGQG-UHFFFAOYSA-N -1 1 278.311 3.346 20 0 CGADMM CCCCC[C@H](CCCC)OCC[P@](=O)([O-])O ZINC001224602912 816830573 /nfs/dbraw/zinc/83/05/73/816830573.db2.gz UECWGFZXKLEBRX-LBPRGKRZSA-N -1 1 266.318 3.320 20 0 CGADMM C[C@H](OCC[P@](=O)([O-])O)c1cc(Cl)ccc1Cl ZINC001224600865 816831355 /nfs/dbraw/zinc/83/13/55/816831355.db2.gz AXSFPIPHTCADKC-ZETCQYMHSA-N -1 1 299.090 3.249 20 0 CGADMM O=[P@]([O-])(O)CCO[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC001224602184 816831479 /nfs/dbraw/zinc/83/14/79/816831479.db2.gz OUXHMVLJTABFQA-ZIAGYGMSSA-N -1 1 290.340 3.320 20 0 CGADMM Cn1c(=O)c(-c2ccc(F)c([O-])c2)cc2ccccc21 ZINC001243049905 823226590 /nfs/dbraw/zinc/22/65/90/823226590.db2.gz BZBRHDRYMOWFIR-UHFFFAOYSA-N -1 1 269.275 3.050 20 0 CGADMM [O-]c1cc(-c2nnc3c(c2C(F)(F)F)CCC3)ccc1F ZINC001243050513 823227652 /nfs/dbraw/zinc/22/76/52/823227652.db2.gz VSRVRXLGGNLGJS-UHFFFAOYSA-N -1 1 298.239 3.496 20 0 CGADMM [O-]c1cc(-c2nccc(-c3ccco3)n2)ccc1F ZINC001243053873 823228923 /nfs/dbraw/zinc/22/89/23/823228923.db2.gz HOYAEWHCCQKWHG-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM CC[C@H](OCCCC[P@](=O)([O-])O)c1ccccc1F ZINC001225018742 816932770 /nfs/dbraw/zinc/93/27/70/816932770.db2.gz GXHWBQWTPCOIOK-ZDUSSCGKSA-N -1 1 290.271 3.251 20 0 CGADMM CCCC[C@@H](CCC)OCCCC[P@](=O)([O-])O ZINC001225019067 816934946 /nfs/dbraw/zinc/93/49/46/816934946.db2.gz QBUUJFXKKCMJDS-GFCCVEGCSA-N -1 1 266.318 3.320 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCc2cccnc21 ZINC001225617675 817114109 /nfs/dbraw/zinc/11/41/09/817114109.db2.gz YTAFMWBKKBJZLC-CQSZACIVSA-N -1 1 269.300 3.056 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H]1CCc2c1cccc2C ZINC001226241789 817308611 /nfs/dbraw/zinc/30/86/11/817308611.db2.gz AZONPPBKNFEJOY-LBPRGKRZSA-N -1 1 288.372 3.149 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H](C)c1ccc(C)cc1 ZINC001226246783 817310216 /nfs/dbraw/zinc/31/02/16/817310216.db2.gz RCUQBPXEBAZQSR-SNVBAGLBSA-N -1 1 276.361 3.222 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H](C)c3cccnc3)c12 ZINC001226486058 817372723 /nfs/dbraw/zinc/37/27/23/817372723.db2.gz OSZUYTCRIKEDQH-LLVKDONJSA-N -1 1 297.310 3.342 20 0 CGADMM COc1ccc2cc([C@H](C)Oc3cnc[n-]c3=O)ccc2c1 ZINC001227048868 817543067 /nfs/dbraw/zinc/54/30/67/817543067.db2.gz MOUYNXABUOGKDF-NSHDSACASA-N -1 1 296.326 3.484 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001227168676 817578198 /nfs/dbraw/zinc/57/81/98/817578198.db2.gz KZLIKPVXCJMGSZ-SGMGOOAPSA-N -1 1 292.375 3.425 20 0 CGADMM CCOc1ccc([C@H](C)Oc2[n-]c(=S)ncc2F)cc1 ZINC001227382195 817635447 /nfs/dbraw/zinc/63/54/47/817635447.db2.gz BBHRIONDNVWYSI-VIFPVBQESA-N -1 1 294.351 3.443 20 0 CGADMM CC1(C)OC[C@H](COc2cc(Cl)c([O-])cc2Cl)O1 ZINC001227640486 817686350 /nfs/dbraw/zinc/68/63/50/817686350.db2.gz CIEIZQRKYGZMRE-ZETCQYMHSA-N -1 1 293.146 3.229 20 0 CGADMM Cc1cccc2c1CC[C@H]2Oc1[n-]c(=O)nc2c1CO[C@@H]2C ZINC001227709781 817699686 /nfs/dbraw/zinc/69/96/86/817699686.db2.gz GNFQYCYXOWDNEO-QMTHXVAHSA-N -1 1 298.342 3.148 20 0 CGADMM C[C@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)c1cccc(F)c1 ZINC001227713139 817701141 /nfs/dbraw/zinc/70/11/41/817701141.db2.gz NFDDAUKPXUKHMQ-DTWKUNHWSA-N -1 1 290.294 3.053 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H](C)c1cccnc1 ZINC001228556646 817938593 /nfs/dbraw/zinc/93/85/93/817938593.db2.gz QBMWGHSLAJMKRU-SNVBAGLBSA-N -1 1 287.315 3.226 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)COC(C)(C)C ZINC001228560814 817939394 /nfs/dbraw/zinc/93/93/94/817939394.db2.gz TUYFOCYCYYHTRL-JTQLQIEISA-N -1 1 296.363 3.273 20 0 CGADMM CC(C)(C)[C@H]1CC[C@@H](Oc2cnnc(=S)[n-]2)CC1 ZINC001228641545 817960921 /nfs/dbraw/zinc/96/09/21/817960921.db2.gz FVJVHNVCCFXMBG-AOOOYVTPSA-N -1 1 267.398 3.144 20 0 CGADMM S=c1nc2ccccc2c(O[C@H]2CCc3cccnc32)[n-]1 ZINC001228766329 818002794 /nfs/dbraw/zinc/00/27/94/818002794.db2.gz QQNBISPEJBLOIQ-ZDUSSCGKSA-N -1 1 295.367 3.380 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(C)cc(OC)c3)ccc2[n-]1 ZINC001243242682 823309196 /nfs/dbraw/zinc/30/91/96/823309196.db2.gz FICGPWUQRJJOBD-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(C)cc(OC)c3)cc2[n-]1 ZINC001243242682 823309200 /nfs/dbraw/zinc/30/92/00/823309200.db2.gz FICGPWUQRJJOBD-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM C[C@@H](Cc1ccco1)Oc1cccnc1-c1ncccc1[O-] ZINC001231201600 818057221 /nfs/dbraw/zinc/05/72/21/818057221.db2.gz BBATZHCBYHBPRG-LBPRGKRZSA-N -1 1 296.326 3.452 20 0 CGADMM CN(Cc1nccs1)Cc1ccc(Cl)c([O-])c1 ZINC001231738039 818163962 /nfs/dbraw/zinc/16/39/62/818163962.db2.gz ZITYOLQUDUQXJB-UHFFFAOYSA-N -1 1 268.769 3.134 20 0 CGADMM CC(C)N(CCCO)Cc1ccc(Cl)c([O-])c1Cl ZINC001232632046 818405741 /nfs/dbraw/zinc/40/57/41/818405741.db2.gz VCGYOCGONZSIHE-UHFFFAOYSA-N -1 1 292.206 3.292 20 0 CGADMM CN(Cc1cccc(O)c1)Cc1ccc(F)c([O-])c1F ZINC001232931954 818475657 /nfs/dbraw/zinc/47/56/57/818475657.db2.gz UPVUOWAWIRASTG-UHFFFAOYSA-N -1 1 279.286 3.008 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@@H](C(F)(F)F)C2)c1F ZINC001232936183 818477498 /nfs/dbraw/zinc/47/74/98/818477498.db2.gz QYENYPCJRZTVCM-SECBINFHSA-N -1 1 295.251 3.445 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCC[C@H]1c1ccccn1 ZINC001233036029 818504093 /nfs/dbraw/zinc/50/40/93/818504093.db2.gz KAWGTMWUYSMPIU-ZDUSSCGKSA-N -1 1 289.766 3.173 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCC[C@H]1c1ccncc1 ZINC001233036303 818504891 /nfs/dbraw/zinc/50/48/91/818504891.db2.gz OHYPLZVZOHMEOG-ZDUSSCGKSA-N -1 1 289.766 3.173 20 0 CGADMM Cc1cccc2c1CN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233032842 818504984 /nfs/dbraw/zinc/50/49/84/818504984.db2.gz UKHCJKNNGIDPDJ-UHFFFAOYSA-N -1 1 274.751 3.265 20 0 CGADMM O=C1CCN(Cc2ccc([S-])cc2)[C@H]2CCCC[C@@H]12 ZINC001233258365 818557453 /nfs/dbraw/zinc/55/74/53/818557453.db2.gz CANAPQYJWRGTLB-CABCVRRESA-N -1 1 275.417 3.309 20 0 CGADMM [S-]c1ccc(CN2CCOC[C@H]2Cc2ccccc2)cc1 ZINC001233262419 818561112 /nfs/dbraw/zinc/56/11/12/818561112.db2.gz FVCHEZOGYVKHSU-QGZVFWFLSA-N -1 1 299.439 3.419 20 0 CGADMM [O-]c1ccc(-c2cc(F)cc3nccnc32)c(F)c1F ZINC001243340542 823354245 /nfs/dbraw/zinc/35/42/45/823354245.db2.gz CTHBFDNTKYBHBQ-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@H](C)c1cnccn1 ZINC001233650654 818669842 /nfs/dbraw/zinc/66/98/42/818669842.db2.gz OQQBNGJPUSIKMZ-LLVKDONJSA-N -1 1 286.331 3.305 20 0 CGADMM CCS(=O)(=O)c1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243342525 823356654 /nfs/dbraw/zinc/35/66/54/823356654.db2.gz QCOYLECKZWHQPE-UHFFFAOYSA-N -1 1 298.310 3.131 20 0 CGADMM CC(C)COc1ncc(-c2ccc([O-])c(F)c2F)cn1 ZINC001243343879 823358988 /nfs/dbraw/zinc/35/89/88/823358988.db2.gz RPLZBIUOAJQVEZ-UHFFFAOYSA-N -1 1 280.274 3.162 20 0 CGADMM O=C([O-])C=Cc1ccc(-c2cc3[nH]ccc3cn2)cc1 ZINC001235029454 818982881 /nfs/dbraw/zinc/98/28/81/818982881.db2.gz RUBQQNNNZLBPCT-ZZXKWVIFSA-N -1 1 264.284 3.328 20 0 CGADMM Cc1ccc2c(ncnc2-c2c(F)ccc(C)c2[O-])n1 ZINC001236394174 819448740 /nfs/dbraw/zinc/44/87/40/819448740.db2.gz ZPJDEFWBVFXHGH-UHFFFAOYSA-N -1 1 269.279 3.153 20 0 CGADMM CCCNC(=O)c1ccc(-c2c(F)ccc(C)c2[O-])nc1 ZINC001236393237 819448890 /nfs/dbraw/zinc/44/88/90/819448890.db2.gz UKFCUPKRGBZABS-UHFFFAOYSA-N -1 1 288.322 3.042 20 0 CGADMM Cc1ccc(F)c(-c2cnc(OCC(C)C)cn2)c1[O-] ZINC001236416638 819462461 /nfs/dbraw/zinc/46/24/61/819462461.db2.gz WGBHGLXNMDOCPJ-UHFFFAOYSA-N -1 1 276.311 3.332 20 0 CGADMM Cc1cn2cc(-c3cc(F)cc(F)c3[O-])ccc2n1 ZINC001243501838 823421959 /nfs/dbraw/zinc/42/19/59/823421959.db2.gz CYBXDWSDZZWDOK-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cnc2[nH]cc(F)c2c1 ZINC001243505828 823424177 /nfs/dbraw/zinc/42/41/77/823424177.db2.gz VRGOYFHOWPVUNG-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM [O-]c1c(F)cc(CN2CC[C@]3(C2)CCCCO3)cc1Cl ZINC001237984883 819902129 /nfs/dbraw/zinc/90/21/29/819902129.db2.gz RCYUARNGNUVJPT-HNNXBMFYSA-N -1 1 299.773 3.330 20 0 CGADMM [O-]c1c(F)cc(CN2CC3CC(C3)C2)cc1Cl ZINC001237992510 819904655 /nfs/dbraw/zinc/90/46/55/819904655.db2.gz KWGBILFOHIFQKX-UHFFFAOYSA-N -1 1 255.720 3.027 20 0 CGADMM CCN(C)c1nc(-c2ccc(Cl)c([O-])c2)ncc1C ZINC001243576779 823451136 /nfs/dbraw/zinc/45/11/36/823451136.db2.gz MYZFHHHHNHJDPN-UHFFFAOYSA-N -1 1 277.755 3.267 20 0 CGADMM COc1ccc(-c2ccc(Cl)c([O-])c2)c(OC)n1 ZINC001243577966 823451991 /nfs/dbraw/zinc/45/19/91/823451991.db2.gz HYFNTJIGALNQRV-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM CC(=O)Nc1ccnc(-c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001243609113 823466411 /nfs/dbraw/zinc/46/64/11/823466411.db2.gz OCSGULAQKVNNOA-UHFFFAOYSA-N -1 1 296.248 3.431 20 0 CGADMM CC(=O)Nc1cccc(-c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001243609966 823466414 /nfs/dbraw/zinc/46/64/14/823466414.db2.gz ZCXNAKRUTGYGFL-UHFFFAOYSA-N -1 1 296.248 3.431 20 0 CGADMM Cc1cn2cc(-c3ccc(C(F)(F)F)cc3[O-])ncc2n1 ZINC001243610275 823466499 /nfs/dbraw/zinc/46/64/99/823466499.db2.gz ZWFCUSJZMUYAFM-UHFFFAOYSA-N -1 1 293.248 3.429 20 0 CGADMM CC(C)(C)c1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001239605884 820452164 /nfs/dbraw/zinc/45/21/64/820452164.db2.gz GHHXQXAXCPAGRV-UHFFFAOYSA-N -1 1 279.347 3.226 20 0 CGADMM CC(C)(C)c1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001239605884 820452168 /nfs/dbraw/zinc/45/21/68/820452168.db2.gz GHHXQXAXCPAGRV-UHFFFAOYSA-N -1 1 279.347 3.226 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc4[nH]ccc4c3)ccc2[n-]1 ZINC001239694833 820525916 /nfs/dbraw/zinc/52/59/16/820525916.db2.gz CCLBLXANSYSTDP-UHFFFAOYSA-N -1 1 291.310 3.498 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc4[nH]ccc4c3)cc2[n-]1 ZINC001239694833 820525918 /nfs/dbraw/zinc/52/59/18/820525918.db2.gz CCLBLXANSYSTDP-UHFFFAOYSA-N -1 1 291.310 3.498 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccc(N)cc3F)ccc2[n-]1 ZINC001240528581 821124861 /nfs/dbraw/zinc/12/48/61/821124861.db2.gz JATVALXVIZGYEZ-UHFFFAOYSA-N -1 1 299.305 3.128 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccc(N)cc3F)cc2[n-]1 ZINC001240528581 821124864 /nfs/dbraw/zinc/12/48/64/821124864.db2.gz JATVALXVIZGYEZ-UHFFFAOYSA-N -1 1 299.305 3.128 20 0 CGADMM [O-]c1ccc(F)cc1-c1ccc(-c2cccnc2)nn1 ZINC001240693870 821249796 /nfs/dbraw/zinc/24/97/96/821249796.db2.gz KFSQKKAGTGRTGZ-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM COc1cnc(-c2cc(F)ccc2[O-])c2[nH]ccc21 ZINC001240693835 821250215 /nfs/dbraw/zinc/25/02/15/821250215.db2.gz IZYNHCWSWSVMEN-UHFFFAOYSA-N -1 1 258.252 3.083 20 0 CGADMM [O-]c1ccc(F)cc1-c1cncc(N2CCCCCC2)n1 ZINC001240695548 821251159 /nfs/dbraw/zinc/25/11/59/821251159.db2.gz LSQWNIFNLNJJKD-UHFFFAOYSA-N -1 1 287.338 3.369 20 0 CGADMM C[C@H]1CCc2nnc(-c3cc(F)ccc3[O-])cc2C1 ZINC001240696510 821252855 /nfs/dbraw/zinc/25/28/55/821252855.db2.gz QJMUDIKNOWBHNF-VIFPVBQESA-N -1 1 258.296 3.113 20 0 CGADMM CCCc1cc(-c2c(F)cc([O-])cc2F)nc(C)n1 ZINC001241118132 821572908 /nfs/dbraw/zinc/57/29/08/821572908.db2.gz IXBXHOSSCGAFFA-UHFFFAOYSA-N -1 1 264.275 3.388 20 0 CGADMM [O-]c1cc(F)c(-c2cnc3c(n2)CCCC3)c(F)c1 ZINC001241120203 821575382 /nfs/dbraw/zinc/57/53/82/821575382.db2.gz WDERIEAFTHDXDY-UHFFFAOYSA-N -1 1 262.259 3.006 20 0 CGADMM COc1nnc(-c2c(F)cc([O-])cc2F)c2ccccc21 ZINC001241120271 821576011 /nfs/dbraw/zinc/57/60/11/821576011.db2.gz OGTOADIGPVFQJC-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM CC(=O)Oc1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241120851 821577087 /nfs/dbraw/zinc/57/70/87/821577087.db2.gz OOJPKEOOLPHHLW-UHFFFAOYSA-N -1 1 264.227 3.263 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(C3OCCO3)cc2)c(F)c1 ZINC001241121744 821579126 /nfs/dbraw/zinc/57/91/26/821579126.db2.gz FHXKZXLREJYBEQ-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM COc1ccnc2cc(-c3c(F)cc([O-])cc3F)cnc21 ZINC001241124523 821580965 /nfs/dbraw/zinc/58/09/65/821580965.db2.gz HIWKHSZKLQCQHR-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM COc1ccc(-c2c(F)cc([O-])cc2F)c(OC)c1F ZINC001241124720 821581002 /nfs/dbraw/zinc/58/10/02/821581002.db2.gz KXHFNFOEQDDFQM-UHFFFAOYSA-N -1 1 284.233 3.494 20 0 CGADMM Cc1nc(-c2ccc(C(=O)[O-])c(F)c2)cc2[nH]ccc21 ZINC001241184189 821621648 /nfs/dbraw/zinc/62/16/48/821621648.db2.gz VJLKHXUVBKSPJW-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM CCCNc1nc(-c2cc([O-])cc(F)c2)ncc1C ZINC001241256812 821677034 /nfs/dbraw/zinc/67/70/34/821677034.db2.gz AYTKCTHEZVUVJJ-UHFFFAOYSA-N -1 1 261.300 3.119 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc3cccnc32)c1F ZINC001241291153 821707799 /nfs/dbraw/zinc/70/77/99/821707799.db2.gz GLSLPOUCWTZRCZ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Cc1cnc(C)c(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242148304 822894510 /nfs/dbraw/zinc/89/45/10/822894510.db2.gz SEDAECOVAQFMNA-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1cnc2[nH]ccc2n1 ZINC001242131662 822888683 /nfs/dbraw/zinc/88/86/83/822888683.db2.gz ODOGFJMYZLTRDQ-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM COc1cc(OC)nc(-c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001242151885 822895932 /nfs/dbraw/zinc/89/59/32/822895932.db2.gz XPSFSXSTYQZDEY-UHFFFAOYSA-N -1 1 299.248 3.490 20 0 CGADMM COC(=O)c1nc2cc(-c3ccccc3N(C)C)ccc2[n-]1 ZINC001242185344 822904530 /nfs/dbraw/zinc/90/45/30/822904530.db2.gz LIQMUAXTXLKANS-UHFFFAOYSA-N -1 1 295.342 3.083 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccccc3N(C)C)cc2[n-]1 ZINC001242185344 822904534 /nfs/dbraw/zinc/90/45/34/822904534.db2.gz LIQMUAXTXLKANS-UHFFFAOYSA-N -1 1 295.342 3.083 20 0 CGADMM COC(=O)c1ccc(F)cc1-c1cccc(F)c1[O-] ZINC001242351722 822961757 /nfs/dbraw/zinc/96/17/57/822961757.db2.gz PWVBHXALKSLDQI-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM CCOC(=O)c1ncc(-c2cccc(F)c2[O-])cc1C ZINC001242352899 822962879 /nfs/dbraw/zinc/96/28/79/822962879.db2.gz UYZLXYFERBJNRE-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM CS(=O)(=O)c1ccccc1-c1cccc(Cl)c1[O-] ZINC001242364076 822968110 /nfs/dbraw/zinc/96/81/10/822968110.db2.gz AHFUAAPWWDDHST-UHFFFAOYSA-N -1 1 282.748 3.116 20 0 CGADMM CS(=O)(=O)Nc1ccccc1-c1cccc(Cl)c1[O-] ZINC001242366467 822969039 /nfs/dbraw/zinc/96/90/39/822969039.db2.gz MZHMBJNYPFDXDO-UHFFFAOYSA-N -1 1 297.763 3.084 20 0 CGADMM O=C1C[C@H](c2cccc(-c3cccc(Cl)c3[O-])c2)CN1 ZINC001242366708 822969316 /nfs/dbraw/zinc/96/93/16/822969316.db2.gz SBUCUNCYVWTXPC-LBPRGKRZSA-N -1 1 287.746 3.316 20 0 CGADMM CCOC(=O)c1ccc(-c2cccc(Cl)c2[O-])cn1 ZINC001242367259 822969379 /nfs/dbraw/zinc/96/93/79/822969379.db2.gz ZWIHLEPTCWXKJZ-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM C[S@](=O)c1ccccc1-c1cccc(Cl)c1[O-] ZINC001242367043 822969750 /nfs/dbraw/zinc/96/97/50/822969750.db2.gz VSYRFVIDEPSFKM-KRWDZBQOSA-N -1 1 266.749 3.450 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(C)oc3C)cc2[n-]1 ZINC001242402478 822982174 /nfs/dbraw/zinc/98/21/74/822982174.db2.gz IDXRHEJBAOPYRS-UHFFFAOYSA-N -1 1 270.288 3.226 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(C)oc3C)ccc2[n-]1 ZINC001242402478 822982175 /nfs/dbraw/zinc/98/21/75/822982175.db2.gz IDXRHEJBAOPYRS-UHFFFAOYSA-N -1 1 270.288 3.226 20 0 CGADMM Cc1cc(Cl)cc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001242519922 823017638 /nfs/dbraw/zinc/01/76/38/823017638.db2.gz IGMHUIHURPBKOO-UHFFFAOYSA-N -1 1 285.730 3.128 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc([C@H](C)O)c3)ccc2[n-]1 ZINC001242547715 823027356 /nfs/dbraw/zinc/02/73/56/823027356.db2.gz BYNLQMQNIHYXRP-JTQLQIEISA-N -1 1 296.326 3.070 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc([C@H](C)O)c3)cc2[n-]1 ZINC001242547715 823027358 /nfs/dbraw/zinc/02/73/58/823027358.db2.gz BYNLQMQNIHYXRP-JTQLQIEISA-N -1 1 296.326 3.070 20 0 CGADMM O=C([O-])CC[C@H](CNCc1ccc(Cl)o1)C(F)(F)F ZINC001347178818 936873413 /nfs/dbraw/zinc/87/34/13/936873413.db2.gz QUWNXQIZUKVKHX-SSDOTTSWSA-N -1 1 299.676 3.066 20 0 CGADMM C[C@@H](OC1CCCCC1)C(=O)Nc1cccc(F)c1[O-] ZINC001348410685 936920288 /nfs/dbraw/zinc/92/02/88/936920288.db2.gz QNOJMRJIWUGWFP-SNVBAGLBSA-N -1 1 281.327 3.208 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1sccc1F ZINC001353787338 937076741 /nfs/dbraw/zinc/07/67/41/937076741.db2.gz AFCPVSVJEDCMPL-UHFFFAOYSA-N -1 1 254.286 3.251 20 0 CGADMM COc1ccc(CSc2nc(C)c(C)c(=O)[n-]2)cc1C ZINC001473011592 937154099 /nfs/dbraw/zinc/15/40/99/937154099.db2.gz VXSOUGKEGHYVKB-UHFFFAOYSA-N -1 1 290.388 3.408 20 0 CGADMM CN(CC1CCC1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001358454077 937197242 /nfs/dbraw/zinc/19/72/42/937197242.db2.gz ZAJOQRGWJQZNHW-UHFFFAOYSA-N -1 1 287.281 3.283 20 0 CGADMM O=S(=O)([N-]c1ccc2cnccc2c1)c1ccccc1 ZINC000000225102 937212631 /nfs/dbraw/zinc/21/26/31/937212631.db2.gz PACDCQFOTPTBFQ-UHFFFAOYSA-N -1 1 284.340 3.036 20 0 CGADMM CCCCC[C@H](CCC)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282144 928068413 /nfs/dbraw/zinc/06/84/13/928068413.db2.gz PPONMGHFXCQSQZ-NSHDSACASA-N -1 1 268.357 3.324 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1C2CCCC1CCC2 ZINC001136771712 928182287 /nfs/dbraw/zinc/18/22/87/928182287.db2.gz IPVBZCZKDMOMBA-UHFFFAOYSA-N -1 1 263.312 3.079 20 0 CGADMM CC(C)C[C@@H](NC(=O)c1ncccc1[O-])c1ccccc1 ZINC001440791222 937333894 /nfs/dbraw/zinc/33/38/94/937333894.db2.gz UEPMOGMZRWXDEI-CQSZACIVSA-N -1 1 284.359 3.304 20 0 CGADMM C[C@H]1Cc2ccccc2N1C(=O)c1cccc([O-])c1F ZINC001440843515 937334177 /nfs/dbraw/zinc/33/41/77/937334177.db2.gz NSJUHRRMPUJXBH-JTQLQIEISA-N -1 1 271.291 3.123 20 0 CGADMM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001441140314 937337060 /nfs/dbraw/zinc/33/70/60/937337060.db2.gz XVSLRTHKFBUEOF-VXGBXAGGSA-N -1 1 276.380 3.122 20 0 CGADMM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC001441140312 937337108 /nfs/dbraw/zinc/33/71/08/937337108.db2.gz XVSLRTHKFBUEOF-RYUDHWBXSA-N -1 1 276.380 3.122 20 0 CGADMM CCS[C@H]1CCCCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001443775841 937348499 /nfs/dbraw/zinc/34/84/99/937348499.db2.gz WGRHHSZZYVBAEZ-LBPRGKRZSA-N -1 1 297.395 3.279 20 0 CGADMM CC(C)(NC(=O)c1cccc([O-])c1F)c1cccs1 ZINC001444135791 937350711 /nfs/dbraw/zinc/35/07/11/937350711.db2.gz KFTULBATZRHPEJ-UHFFFAOYSA-N -1 1 279.336 3.258 20 0 CGADMM CC(C)C1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001446194387 937362011 /nfs/dbraw/zinc/36/20/11/937362011.db2.gz ZUDARVYMLJJZQF-UHFFFAOYSA-N -1 1 287.281 3.139 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1ccc(Cl)o1 ZINC001449443278 937379555 /nfs/dbraw/zinc/37/95/55/937379555.db2.gz DMQMXKHKEHFPSK-UHFFFAOYSA-N -1 1 273.622 3.169 20 0 CGADMM C/C=C(/C)C(=O)Nc1cccc([O-])c1Br ZINC001449943205 937382558 /nfs/dbraw/zinc/38/25/58/937382558.db2.gz VILGTXGXGBEABF-CLTKARDFSA-N -1 1 270.126 3.059 20 0 CGADMM CC(C)c1cc(Cl)ccc1NC(=O)c1cnncc1[O-] ZINC001453672651 937404078 /nfs/dbraw/zinc/40/40/78/937404078.db2.gz ULICDQMFYLXCJU-UHFFFAOYSA-N -1 1 291.738 3.211 20 0 CGADMM CC1(C)[C@H](CNC(=O)c2ccc(Cl)cc2[O-])C1(F)F ZINC001453987727 937405843 /nfs/dbraw/zinc/40/58/43/937405843.db2.gz MRBJKAAURMSPTG-JTQLQIEISA-N -1 1 289.709 3.067 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCC2CCC2)n1 ZINC001458796358 937474441 /nfs/dbraw/zinc/47/44/41/937474441.db2.gz VSZGLWFGOGMBBO-UHFFFAOYSA-N -1 1 252.383 3.417 20 0 CGADMM CC1(C)OC[C@H](COc2cc([O-])c(Cl)cc2Cl)O1 ZINC001229412115 932147617 /nfs/dbraw/zinc/14/76/17/932147617.db2.gz YWBWDQATEKSLJZ-ZETCQYMHSA-N -1 1 293.146 3.229 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1C[C@@H]1c1ccccc1 ZINC001306827063 932887662 /nfs/dbraw/zinc/88/76/62/932887662.db2.gz PRBMUDRNHMEOPG-MNOVXSKESA-N -1 1 288.734 3.183 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001307253898 932934231 /nfs/dbraw/zinc/93/42/31/932934231.db2.gz SPVRBCLTYMUOKN-GDNZZTSVSA-N -1 1 296.436 3.430 20 0 CGADMM Cc1cc(F)ncc1CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001308484304 933118649 /nfs/dbraw/zinc/11/86/49/933118649.db2.gz OKBJCLHNSXDOIV-UHFFFAOYSA-N -1 1 298.321 3.033 20 0 CGADMM Cn1cc(Cl)c(NCc2cccc([O-])c2Cl)n1 ZINC001308500904 933121115 /nfs/dbraw/zinc/12/11/15/933121115.db2.gz HAAQXXBOVQMIDN-UHFFFAOYSA-N -1 1 272.135 3.045 20 0 CGADMM [O-]c1cccc(CNCc2nc3ccccc3o2)c1Cl ZINC001308947656 933210266 /nfs/dbraw/zinc/21/02/66/933210266.db2.gz NRNPXFCHZQVGEP-UHFFFAOYSA-N -1 1 288.734 3.477 20 0 CGADMM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(F)c([O-])c1 ZINC001464426339 937690676 /nfs/dbraw/zinc/69/06/76/937690676.db2.gz XDCPTRQLCFPMEY-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM C[C@@H]1CN(C(=O)c2cccc([O-])c2F)CC(C)(C)C1 ZINC001466377677 937708502 /nfs/dbraw/zinc/70/85/02/937708502.db2.gz CCOSOYCVQORXEJ-JTQLQIEISA-N -1 1 265.328 3.040 20 0 CGADMM CNc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1F ZINC001468747474 937731334 /nfs/dbraw/zinc/73/13/34/937731334.db2.gz FARVAUVYCNVWQE-UHFFFAOYSA-N -1 1 296.248 3.104 20 0 CGADMM Cc1ccc([C@H](C)C(=O)Nc2cc([O-])c(F)cc2F)o1 ZINC001468747030 937731381 /nfs/dbraw/zinc/73/13/81/937731381.db2.gz ATHCMSZDDTXYLN-QMMMGPOBSA-N -1 1 281.258 3.314 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1Cc2ccc(F)cc21 ZINC001469161345 937735779 /nfs/dbraw/zinc/73/57/79/937735779.db2.gz LZGFZXHMQAZYFZ-LLVKDONJSA-N -1 1 293.244 3.088 20 0 CGADMM CCOC(=O)C(C)(C)O[N-]C(=O)C[C@H](C)CCC=C(C)C ZINC001469541195 937740629 /nfs/dbraw/zinc/74/06/29/937740629.db2.gz LQCSMMHZQVOURT-CYBMUJFWSA-N -1 1 299.411 3.149 20 0 CGADMM C[C@@H](CC(=O)Nc1cccc(F)c1[O-])c1ccco1 ZINC001471167691 937761976 /nfs/dbraw/zinc/76/19/76/937761976.db2.gz GVJHKQYRROQBCX-VIFPVBQESA-N -1 1 263.268 3.257 20 0 CGADMM Cc1coc(-c2nc(-c3ccc([O-])cc3F)no2)c1C ZINC001323653295 934415298 /nfs/dbraw/zinc/41/52/98/934415298.db2.gz AEQPMLCCAPOGEC-UHFFFAOYSA-N -1 1 274.251 3.458 20 0 CGADMM CCC[C@H]1CCC[C@H]1C(=O)[N-]Oc1ccccc1F ZINC001471718168 937768911 /nfs/dbraw/zinc/76/89/11/937768911.db2.gz GMUHHUDIGCIPKH-NWDGAFQWSA-N -1 1 265.328 3.452 20 0 CGADMM CCCCC1(NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC001472297925 937775024 /nfs/dbraw/zinc/77/50/24/937775024.db2.gz ACQBYCMJMUYRIA-UHFFFAOYSA-N -1 1 267.756 3.498 20 0 CGADMM O=C(NC/C=C\C1CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001326368339 934973984 /nfs/dbraw/zinc/97/39/84/934973984.db2.gz AFZDCYUIPUEMFB-UPHRSURJSA-N -1 1 285.265 3.107 20 0 CGADMM CC(C)c1oncc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001337408331 936256299 /nfs/dbraw/zinc/25/62/99/936256299.db2.gz CWVOJFNVBXXRMS-UHFFFAOYSA-N -1 1 294.738 3.338 20 0 CGADMM C[C@H]1CCC(F)(F)CN1C(=O)c1c([O-])cccc1Cl ZINC001337506896 936265844 /nfs/dbraw/zinc/26/58/44/936265844.db2.gz PROMZZXNPVOJLS-QMMMGPOBSA-N -1 1 289.709 3.305 20 0 CGADMM O=C([N-]c1c(F)cc(F)cc1F)c1cnc(C2CC2)o1 ZINC001533533016 938090746 /nfs/dbraw/zinc/09/07/46/938090746.db2.gz ZVTLKVQCAKGOJI-UHFFFAOYSA-N -1 1 282.221 3.222 20 0 CGADMM Cc1ccc(F)c(C(=O)[N-]c2c(F)ccnc2F)c1F ZINC001534631653 938097028 /nfs/dbraw/zinc/09/70/28/938097028.db2.gz GREMKTJTYVCMPL-UHFFFAOYSA-N -1 1 284.212 3.199 20 0 CGADMM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1conc1C ZINC001537837351 938113805 /nfs/dbraw/zinc/11/38/05/938113805.db2.gz WCUXSLWITZRZAI-UHFFFAOYSA-N -1 1 297.314 3.453 20 0 CGADMM CCCCCC[C@H](C)NC(=O)c1ncc(C)cc1[O-] ZINC001540652641 938132705 /nfs/dbraw/zinc/13/27/05/938132705.db2.gz OEFRCZKXCVSDID-LBPRGKRZSA-N -1 1 264.369 3.184 20 0 CGADMM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC001542300487 938135684 /nfs/dbraw/zinc/13/56/84/938135684.db2.gz CKXVRVNTAUMNAB-QMMMGPOBSA-N -1 1 287.281 3.187 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NC(C)(C)CC(C)(C)C)c1 ZINC001542551744 938136276 /nfs/dbraw/zinc/13/62/76/938136276.db2.gz VDFBMCGWHUHHHU-UHFFFAOYSA-N -1 1 291.391 3.458 20 0 CGADMM Cc1cnc(C(=O)N[C@H]2CCC[C@H](C(C)C)C2)c([O-])c1 ZINC001543128713 938137837 /nfs/dbraw/zinc/13/78/37/938137837.db2.gz YKTHLUPPFKWWHN-STQMWFEESA-N -1 1 276.380 3.040 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)[C@H](C)C(C)(C)C)c1 ZINC001544620191 938146298 /nfs/dbraw/zinc/14/62/98/938146298.db2.gz FKYCWVSGSSMCLL-LLVKDONJSA-N -1 1 277.364 3.020 20 0 CGADMM CC[C@H](C)CN(CC)C(=O)c1cccc([O-])c1F ZINC001545192249 938149095 /nfs/dbraw/zinc/14/90/95/938149095.db2.gz FMBVSJJZNCXQCB-JTQLQIEISA-N -1 1 253.317 3.040 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1C[C@H]2[C@H](C1)C1CCC2CC1 ZINC001549421899 938156954 /nfs/dbraw/zinc/15/69/54/938156954.db2.gz BXURERSVZGWJDA-GVOSGWPFSA-N -1 1 289.350 3.040 20 0 CGADMM CCCn1ccc(CNC(=O)c2ccc(Cl)cc2[O-])c1 ZINC001556178539 938202390 /nfs/dbraw/zinc/20/23/90/938202390.db2.gz WFFVHTXQRROFPN-UHFFFAOYSA-N -1 1 292.766 3.187 20 0 CGADMM Cn1ccc2cccc(NC(=O)c3ccc(F)c([O-])c3)c21 ZINC001556214627 938202449 /nfs/dbraw/zinc/20/24/49/938202449.db2.gz WIBWFTGYPJLNEL-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1cccs1 ZINC001556247882 938202778 /nfs/dbraw/zinc/20/27/78/938202778.db2.gz WWSQCKOJSNUXAK-MRVPVSSYSA-N -1 1 265.309 3.084 20 0 CGADMM Cc1cccnc1/C=C\C(=O)Nc1cc([O-])c(F)cc1F ZINC001556919608 938206502 /nfs/dbraw/zinc/20/65/02/938206502.db2.gz IMLWAUFQTRWBTJ-PLNGDYQASA-N -1 1 290.269 3.026 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1cccnc1C1CC1 ZINC001556919689 938206510 /nfs/dbraw/zinc/20/65/10/938206510.db2.gz LQPUZVSRULYVFN-UHFFFAOYSA-N -1 1 290.269 3.195 20 0 CGADMM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]Oc1ccccc1F ZINC001558228084 938214339 /nfs/dbraw/zinc/21/43/39/938214339.db2.gz ZOSYONQVSAFVRE-NSHDSACASA-N -1 1 291.297 3.254 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001558967042 938218551 /nfs/dbraw/zinc/21/85/51/938218551.db2.gz MYRQMKYXRBOTON-OWUUHHOZSA-N -1 1 280.755 3.205 20 0 CGADMM Cn1cccc1[C@H]1CCCN1Cc1ccc([O-])c(F)c1F ZINC001560725378 938272588 /nfs/dbraw/zinc/27/25/88/938272588.db2.gz CWQXUYJDWSUZEL-CYBMUJFWSA-N -1 1 292.329 3.346 20 0 CGADMM CCC(CC)(NCc1nc2ccccc2s1)C(=O)[O-] ZINC000094242838 958279618 /nfs/dbraw/zinc/27/96/18/958279618.db2.gz HCXYHYYPWYVMQC-UHFFFAOYSA-N -1 1 278.377 3.029 20 0 CGADMM CN(Cc1ccccc1F)Cc1ccccc1CC(=O)[O-] ZINC000167705859 959355593 /nfs/dbraw/zinc/35/55/93/959355593.db2.gz IUNDKRDLFVGJHW-UHFFFAOYSA-N -1 1 287.334 3.085 20 0 CGADMM CC[C@@H](NCc1occc1C(=O)[O-])c1ccccc1 ZINC000233890935 960332321 /nfs/dbraw/zinc/33/23/21/960332321.db2.gz XBDSZGIEQJOUGT-CYBMUJFWSA-N -1 1 259.305 3.219 20 0 CGADMM C[C@@H]1CCC[C@H]1CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001564637947 960580011 /nfs/dbraw/zinc/58/00/11/960580011.db2.gz OGEDPDBZQLYEBD-PWSUYJOCSA-N -1 1 296.798 3.281 20 0 CGADMM CCC(CC)[C@H](NC(=O)c1cnncc1[O-])c1ccccc1 ZINC001565884349 960856678 /nfs/dbraw/zinc/85/66/78/960856678.db2.gz OVZJUFHLWAMIGZ-INIZCTEOSA-N -1 1 299.374 3.090 20 0 CGADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC001566247499 960911054 /nfs/dbraw/zinc/91/10/54/960911054.db2.gz LDGUVBGJMBZWGA-OCCSQVGLSA-N -1 1 297.395 3.325 20 0 CGADMM Cc1nocc1[N-]C(=O)c1oc(-c2ccccc2)nc1C ZINC001586345738 963093661 /nfs/dbraw/zinc/09/36/61/963093661.db2.gz SSGYFUYZMSUJLR-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM CCc1ccc(CC)c(NC(=O)c2ccc([O-])cn2)c1 ZINC001586997230 963160443 /nfs/dbraw/zinc/16/04/43/963160443.db2.gz GDLIFZPGCPKWBU-UHFFFAOYSA-N -1 1 270.332 3.164 20 0 CGADMM CC[C@@H](NC(=O)c1ncccc1[O-])c1ccc(Cl)cc1 ZINC001587777277 963220479 /nfs/dbraw/zinc/22/04/79/963220479.db2.gz ZGSGLKQUONQMJX-GFCCVEGCSA-N -1 1 290.750 3.322 20 0 CGADMM CCCCN(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001588150183 963252971 /nfs/dbraw/zinc/25/29/71/963252971.db2.gz CZHICACWJBSPPW-UHFFFAOYSA-N -1 1 275.270 3.283 20 0 CGADMM CCCC[C@@H](CC)CNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001588268399 963259812 /nfs/dbraw/zinc/25/98/12/963259812.db2.gz IEXFQFMRBXJUEL-CYBMUJFWSA-N -1 1 291.391 3.459 20 0 CGADMM C/C(=C/CN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1)C(=O)[O-] ZINC001588959010 963329693 /nfs/dbraw/zinc/32/96/93/963329693.db2.gz DHVSHDTUKREILK-XCHKQJEOSA-N -1 1 299.374 3.039 20 0 CGADMM C[C@H]1c2ccc(Cl)n2CCN1CCC1(C(=O)[O-])CCC1 ZINC001589416997 963983073 /nfs/dbraw/zinc/98/30/73/963983073.db2.gz BRFIODMDSUUDCH-NSHDSACASA-N -1 1 296.798 3.163 20 0 CGADMM CCC[C@@H](C)CCNC(=O)c1c([O-])cccc1F ZINC001589661676 964009935 /nfs/dbraw/zinc/00/99/35/964009935.db2.gz HCTBHGXGOHRWSR-SNVBAGLBSA-N -1 1 253.317 3.087 20 0 CGADMM CC[C@H]1CN(Cc2cc(C(=O)[O-])sc2C)C[C@H](CC)O1 ZINC000398620044 973158927 /nfs/dbraw/zinc/15/89/27/973158927.db2.gz GEQPUYQJMFFGFT-STQMWFEESA-N -1 1 297.420 3.144 20 0 CGADMM CC[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595298156 980413595 /nfs/dbraw/zinc/41/35/95/980413595.db2.gz BCDDUSADLVVTOQ-ZDUSSCGKSA-N -1 1 294.301 3.232 20 0 CGADMM CCC1(CC)CCN([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595375086 980891156 /nfs/dbraw/zinc/89/11/56/980891156.db2.gz PRYXEZSKPKOSHJ-SNVBAGLBSA-N -1 1 282.409 3.414 20 0 CGADMM CCc1[nH]c(CN2C[C@H](C)[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597383176 987581144 /nfs/dbraw/zinc/58/11/44/987581144.db2.gz CBOFMOCQAMXOTE-SJCJKPOMSA-N -1 1 298.386 3.468 20 0 CGADMM CC(C)(C)C[C@@H]1CCN(Cc2ncc(C(=O)[O-])s2)C1 ZINC001589764823 988108999 /nfs/dbraw/zinc/10/89/99/988108999.db2.gz YKXKOAMRYLPGCJ-JTQLQIEISA-N -1 1 282.409 3.099 20 0 CGADMM CN(CCCCNc1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001598476335 992083173 /nfs/dbraw/zinc/08/31/73/992083173.db2.gz QKIGGQLUKQNXCV-UHFFFAOYSA-N -1 1 299.374 3.108 20 0 CGADMM CC(C)CCN([C@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001591239878 992128390 /nfs/dbraw/zinc/12/83/90/992128390.db2.gz FKXWPUKBUOMIRM-SNVBAGLBSA-N -1 1 282.409 3.413 20 0 CGADMM C[C@@H](c1cccnc1)N(C)Cc1csc(C(=O)[O-])c1 ZINC001593719821 996246084 /nfs/dbraw/zinc/24/60/84/996246084.db2.gz RLMUHCNLHLOFOF-JTQLQIEISA-N -1 1 276.361 3.034 20 0 CGADMM C[C@]1(C(=O)[O-])CCCN(c2ccnc3cc(F)ccc32)C1 ZINC001593778530 996487194 /nfs/dbraw/zinc/48/71/94/996487194.db2.gz MKKKHKJZGAOPLG-INIZCTEOSA-N -1 1 288.322 3.065 20 0 CGADMM Oc1cccc(C[NH+]2CC(CC3CC3)C2)c1Cl ZINC000621740250 349577041 /nfs/dbraw/zinc/57/70/41/349577041.db2.gz GIHDPWXJXVUHFF-UHFFFAOYSA-N -1 1 251.757 3.278 20 0 CGADMM CC[C@@H](F)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000440587140 529555335 /nfs/dbraw/zinc/55/53/35/529555335.db2.gz YRVJJOSDRJVRBC-RXMQYKEDSA-N -1 1 270.251 3.041 20 0 CGADMM CCN(CCC(F)(F)F)C(=O)c1cc(Cl)ccc1[O-] ZINC000623059513 349755800 /nfs/dbraw/zinc/75/58/00/349755800.db2.gz DQBVJJYUMJVVSH-UHFFFAOYSA-N -1 1 295.688 3.460 20 0 CGADMM CC[C@H](C)CN(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436532204 529650403 /nfs/dbraw/zinc/65/04/03/529650403.db2.gz FOHAEVQNFUZTBG-VIFPVBQESA-N -1 1 285.771 3.172 20 0 CGADMM CCc1ccc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)o1 ZINC000417619476 529655742 /nfs/dbraw/zinc/65/57/42/529655742.db2.gz KRADBOMZGIAXMV-HZPDHXFCSA-N -1 1 285.343 3.245 20 0 CGADMM CC(C)(C)C(=O)CCCC(=O)Nc1ccc(F)cc1[O-] ZINC000294998098 199292189 /nfs/dbraw/zinc/29/21/89/199292189.db2.gz PTOITVKXAVJRLQ-UHFFFAOYSA-N -1 1 281.327 3.255 20 0 CGADMM COc1ccccc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000037918914 344953570 /nfs/dbraw/zinc/95/35/70/344953570.db2.gz SRBSSRFREAGRTN-UHFFFAOYSA-N -1 1 285.343 3.025 20 0 CGADMM C[C@@H]1N(Cc2cccc([O-])c2Cl)CCOC1(C)C ZINC000351623918 219149485 /nfs/dbraw/zinc/14/94/85/219149485.db2.gz KPCKRPRPVCMPMM-JTQLQIEISA-N -1 1 269.772 3.045 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])co1)Cc1cccs1 ZINC000051330587 345088973 /nfs/dbraw/zinc/08/89/73/345088973.db2.gz HXBACTZPNKBNHC-UHFFFAOYSA-N -1 1 265.334 3.061 20 0 CGADMM COc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C)cc(Cl)c1[O-] ZINC000135133124 232199999 /nfs/dbraw/zinc/19/99/99/232199999.db2.gz SXSBPLJBOGVMNO-NXEZZACHSA-N -1 1 297.782 3.315 20 0 CGADMM C[C@@H](CN(C)C(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000080023476 345662155 /nfs/dbraw/zinc/66/21/55/345662155.db2.gz XTALJEKSSUHFLL-LBPRGKRZSA-N -1 1 287.334 3.407 20 0 CGADMM CCCn1cc([N-]c2nc(C(C)C)ns2)cn1 ZINC000092658087 345850239 /nfs/dbraw/zinc/85/02/39/345850239.db2.gz VFKKFOOOLVQJPW-UHFFFAOYSA-N -1 1 251.359 3.012 20 0 CGADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cccc(Cl)c1Cl ZINC000092943478 345864209 /nfs/dbraw/zinc/86/42/09/345864209.db2.gz XPYKVKCQWVHQHW-WCBMZHEXSA-N -1 1 288.174 3.288 20 0 CGADMM COc1ccc(C(=O)Nc2ccc3ccn(C)c3c2)c([O-])c1 ZINC000172874198 232274775 /nfs/dbraw/zinc/27/47/75/232274775.db2.gz AJFWFGYFYANTTP-UHFFFAOYSA-N -1 1 296.326 3.145 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])cc2F)[C@@H](C)C1 ZINC000229787664 346318220 /nfs/dbraw/zinc/31/82/20/346318220.db2.gz DSKKRSNKOQJEBR-ISTVAULSSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1F ZINC000303245474 346443648 /nfs/dbraw/zinc/44/36/48/346443648.db2.gz DISULQTZEKTOAB-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000311343665 346472980 /nfs/dbraw/zinc/47/29/80/346472980.db2.gz JHCROPNRIXQZDS-GHMZBOCLSA-N -1 1 265.328 3.182 20 0 CGADMM CC1(C)CCC[C@@H]1CNC(=O)c1c([O-])cccc1F ZINC000389130302 346572900 /nfs/dbraw/zinc/57/29/00/346572900.db2.gz NSJLATKGLBMSLG-SNVBAGLBSA-N -1 1 265.328 3.087 20 0 CGADMM CCSCCCc1nc(=O)c2sc(C)cc2[n-]1 ZINC000594660360 347206651 /nfs/dbraw/zinc/20/66/51/347206651.db2.gz LILADAUBPCNHPE-UHFFFAOYSA-N -1 1 268.407 3.391 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(C(=O)OC)c(Cl)c2)[n-]1 ZINC000601949603 347928622 /nfs/dbraw/zinc/92/86/22/347928622.db2.gz UOBCNCUNTXVVKA-UHFFFAOYSA-N -1 1 294.738 3.019 20 0 CGADMM COc1ccc(C(=O)N2CCCc3c(C)cccc32)c([O-])c1 ZINC000603852580 348099319 /nfs/dbraw/zinc/09/93/19/348099319.db2.gz PUEALVXKQJWXDM-UHFFFAOYSA-N -1 1 297.354 3.302 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc2c(cccc2F)[nH]1 ZINC000605440353 348155822 /nfs/dbraw/zinc/15/58/22/348155822.db2.gz QBABWFIAMVKLAZ-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM CCn1c(C)cc(C(=O)Nc2c([O-])cccc2F)c1C ZINC000608365299 348301148 /nfs/dbraw/zinc/30/11/48/348301148.db2.gz CONNFXKNEOOQQI-UHFFFAOYSA-N -1 1 276.311 3.222 20 0 CGADMM O=C(Nc1c([O-])cccc1F)C1CCCCCC1 ZINC000608366429 348301608 /nfs/dbraw/zinc/30/16/08/348301608.db2.gz VBUKEFOGFGHFSI-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM CO[C@@H](C(=O)Nc1c([O-])cccc1F)C1CCCCC1 ZINC000613027310 348559913 /nfs/dbraw/zinc/55/99/13/348559913.db2.gz KHTIQFSQWGFQFK-CQSZACIVSA-N -1 1 281.327 3.065 20 0 CGADMM CCCc1c(C)[n-]n(-c2cccc3ncccc32)c1=O ZINC000614186740 348656613 /nfs/dbraw/zinc/65/66/13/348656613.db2.gz HVMDHNNOGNXENV-GFCCVEGCSA-N -1 1 267.332 3.374 20 0 CGADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc([O-])c(F)c2)C1 ZINC000613510493 348614093 /nfs/dbraw/zinc/61/40/93/348614093.db2.gz PLPWCWFBHVWPHI-NEPJUHHUSA-N -1 1 297.395 3.278 20 0 CGADMM COC1CC(CCNC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000617025749 348900957 /nfs/dbraw/zinc/90/09/57/348900957.db2.gz VQQYWFISIWJBRS-UHFFFAOYSA-N -1 1 299.370 3.090 20 0 CGADMM Cc1cnc(C(=O)N(C)Cc2ccc(Cl)cc2)c([O-])c1 ZINC000358739399 233186947 /nfs/dbraw/zinc/18/69/47/233186947.db2.gz LFHWHJWOKOYRKX-UHFFFAOYSA-N -1 1 290.750 3.021 20 0 CGADMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000619135129 349211968 /nfs/dbraw/zinc/21/19/68/349211968.db2.gz IBPYRBXWCLXUCX-NXEZZACHSA-N -1 1 283.318 3.321 20 0 CGADMM CCOc1cc(C(=O)N[C@]2(C)CC2(C)C)cc(Cl)c1[O-] ZINC000620084281 349324474 /nfs/dbraw/zinc/32/44/74/349324474.db2.gz YIGLSDRAQOAXPX-OAHLLOKOSA-N -1 1 297.782 3.363 20 0 CGADMM Cc1cnc(C(=O)N2CCCC[C@H]2CC2CCC2)c([O-])c1 ZINC000620569366 349385711 /nfs/dbraw/zinc/38/57/11/349385711.db2.gz VGHYSBMVQSUZCV-AWEZNQCLSA-N -1 1 288.391 3.281 20 0 CGADMM CSc1n[nH]c(NC(=O)CC(C2CCC2)C2CCC2)n1 ZINC000624925163 350115856 /nfs/dbraw/zinc/11/58/56/350115856.db2.gz QTGVUBKFMBMKCI-UHFFFAOYSA-N -1 1 294.424 3.072 20 0 CGADMM COC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1 ZINC000628233638 350454828 /nfs/dbraw/zinc/45/48/28/350454828.db2.gz NLNCICLBUUVIHM-UHFFFAOYSA-N -1 1 291.734 3.316 20 0 CGADMM C[C@H]1CC=CC[C@H]1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000352217444 219367940 /nfs/dbraw/zinc/36/79/40/219367940.db2.gz JUQJZAJPUUVPEH-WDEREUQCSA-N -1 1 287.388 3.101 20 0 CGADMM Cc1cnc(SCc2ccccc2OC2CC2)[n-]c1=O ZINC000629179303 350664077 /nfs/dbraw/zinc/66/40/77/350664077.db2.gz BEKYOSJJDJPLKH-UHFFFAOYSA-N -1 1 288.372 3.324 20 0 CGADMM C[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2cccs2)cc1 ZINC000629370252 350680273 /nfs/dbraw/zinc/68/02/73/350680273.db2.gz QETLAUGRMURPJK-NSHDSACASA-N -1 1 275.373 3.320 20 0 CGADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380507 350685875 /nfs/dbraw/zinc/68/58/75/350685875.db2.gz QXNMHMOFQLTDFY-IUODEOHRSA-N -1 1 299.374 3.199 20 0 CGADMM C/C=C\C[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000629870129 350778228 /nfs/dbraw/zinc/77/82/28/350778228.db2.gz DEMUWJGTXMDOHQ-OTDNITJGSA-N -1 1 295.329 3.489 20 0 CGADMM Cc1nc(SCC2CCC2)[n-]c(=O)c1C1CC1 ZINC000631023481 350926838 /nfs/dbraw/zinc/92/68/38/350926838.db2.gz SQEYTLNOOHFPFV-UHFFFAOYSA-N -1 1 250.367 3.260 20 0 CGADMM Cc1nc(SCC[C@H]2CCCO2)[n-]c(=O)c1C1CC1 ZINC000631023338 350926860 /nfs/dbraw/zinc/92/68/60/350926860.db2.gz MZVQGSKDOFJXCS-LLVKDONJSA-N -1 1 280.393 3.029 20 0 CGADMM Cc1nc(SCC[C@@H]2CCCCO2)[n-]c(=O)c1C1CC1 ZINC000631023214 350926900 /nfs/dbraw/zinc/92/69/00/350926900.db2.gz MBGMLNSRYYWRFD-LBPRGKRZSA-N -1 1 294.420 3.419 20 0 CGADMM Cc1cccc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)n1 ZINC000631023489 350926984 /nfs/dbraw/zinc/92/69/84/350926984.db2.gz SYIOPVVBJPGOKJ-UHFFFAOYSA-N -1 1 287.388 3.364 20 0 CGADMM Cc1nc(S[C@H](C)C2CCOCC2)[n-]c(=O)c1C1CC1 ZINC000631023813 350927781 /nfs/dbraw/zinc/92/77/81/350927781.db2.gz YBYVJMNHPADJKA-SNVBAGLBSA-N -1 1 294.420 3.275 20 0 CGADMM CC(C)[C@H]1CCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630830233 350895537 /nfs/dbraw/zinc/89/55/37/350895537.db2.gz AXXZLFALESRKQT-CYBMUJFWSA-N -1 1 281.783 3.235 20 0 CGADMM O=S(=O)([N-]CCC1CCCC1)c1ccc(C(F)F)o1 ZINC000631715618 351126224 /nfs/dbraw/zinc/12/62/24/351126224.db2.gz WUPLVZHRCCOMBP-UHFFFAOYSA-N -1 1 293.335 3.076 20 0 CGADMM CC(C)Cc1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000632003390 351157104 /nfs/dbraw/zinc/15/71/04/351157104.db2.gz BFEWEMCPKZVOJB-UHFFFAOYSA-N -1 1 266.728 3.218 20 0 CGADMM CC[C@@H](C)Cc1noc(-c2ccc(OC)cc2[O-])n1 ZINC000632248248 351185571 /nfs/dbraw/zinc/18/55/71/351185571.db2.gz MGYJZQFVHMOGSZ-SECBINFHSA-N -1 1 262.309 3.039 20 0 CGADMM CC(C)(NC(=O)Cc1ccc([O-])c(Cl)c1)C1CCC1 ZINC000633315752 351278304 /nfs/dbraw/zinc/27/83/04/351278304.db2.gz MNRRCROUFGXHNS-UHFFFAOYSA-N -1 1 281.783 3.283 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@@H]1CCCC12CC2 ZINC000633696678 351347597 /nfs/dbraw/zinc/34/75/97/351347597.db2.gz IWQVHKMGYKDFMA-LBPRGKRZSA-N -1 1 293.794 3.285 20 0 CGADMM Cc1ccc(Cn2[n-]c3c(c2=O)C[C@H](C)CC3)cc1 ZINC000634589244 351527288 /nfs/dbraw/zinc/52/72/88/351527288.db2.gz SJYNTUDQZMJWHG-TZMCWYRMSA-N -1 1 256.349 3.129 20 0 CGADMM CC(C)c1c(Cc2ccccc2)[n-]n(-c2ccncc2)c1=O ZINC000634592025 351529113 /nfs/dbraw/zinc/52/91/13/351529113.db2.gz VLGAPZFNBCTLSV-QGZVFWFLSA-N -1 1 293.370 3.299 20 0 CGADMM Cc1cccc(Cn2[n-]c3c(c2=O)C[C@@H](C)CC3)c1 ZINC000634604342 351538585 /nfs/dbraw/zinc/53/85/85/351538585.db2.gz CKKDJOPBGUYKBQ-GXTWGEPZSA-N -1 1 256.349 3.129 20 0 CGADMM CCc1c(=O)n(CC(F)(F)C(F)(F)F)[n-]c1C(C)C ZINC000634604449 351538839 /nfs/dbraw/zinc/53/88/39/351538839.db2.gz HMABMBZQJBVHSV-ZETCQYMHSA-N -1 1 286.244 3.064 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccc(OC)c(Cl)c2)c1=O ZINC000634614902 351544085 /nfs/dbraw/zinc/54/40/85/351544085.db2.gz RNGGUNAHBJHMAY-LLVKDONJSA-N -1 1 280.755 3.487 20 0 CGADMM CCc1c(C(C)C)[n-]n([C@@H](C)c2ccncc2)c1=O ZINC000634627296 351550779 /nfs/dbraw/zinc/55/07/79/351550779.db2.gz ZNFXAHCMUJHWMQ-AAEUAGOBSA-N -1 1 259.353 3.023 20 0 CGADMM C[C@@H]1CCc2[n-]n([C@@H]3CCc4c3cccc4F)c(=O)c2C1 ZINC000634632558 351554142 /nfs/dbraw/zinc/55/41/42/351554142.db2.gz UVCBMNCTDNBUCF-AKWBHNSASA-N -1 1 286.350 3.447 20 0 CGADMM C[C@@]1(c2ccccc2)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000364052263 234016616 /nfs/dbraw/zinc/01/66/16/234016616.db2.gz BGUOTYOGTAEEBV-GOSISDBHSA-N -1 1 299.345 3.335 20 0 CGADMM C[C@]1(F)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000336464710 213333368 /nfs/dbraw/zinc/33/33/68/213333368.db2.gz KMGKAZDBSCSGAT-INIZCTEOSA-N -1 1 273.307 3.120 20 0 CGADMM O=c1nc(CN2CCC(C3CC3)CC2)[n-]c2ccsc21 ZINC000368327963 234299540 /nfs/dbraw/zinc/29/95/40/234299540.db2.gz HNNXVTUNVSKVJP-UHFFFAOYSA-N -1 1 289.404 3.019 20 0 CGADMM CC1CCC(N(C)C(=O)c2ccc([O-])cc2F)CC1 ZINC000154778682 188161643 /nfs/dbraw/zinc/16/16/43/188161643.db2.gz OPHBSXIRMLKDJG-UHFFFAOYSA-N -1 1 265.328 3.182 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])cc1F)c1nc(C)cs1 ZINC000154866833 188166201 /nfs/dbraw/zinc/16/62/01/188166201.db2.gz LBAHREMRJNTNAP-LBPRGKRZSA-N -1 1 294.351 3.177 20 0 CGADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000154973395 188173645 /nfs/dbraw/zinc/17/36/45/188173645.db2.gz BDKLBFZYIGHPPZ-ZIAGYGMSSA-N -1 1 297.395 3.325 20 0 CGADMM O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1ccc([O-])cc1F ZINC000412472883 235173895 /nfs/dbraw/zinc/17/38/95/235173895.db2.gz JEYLBQXPTBWZAR-DGCLKSJQSA-N -1 1 277.339 3.087 20 0 CGADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc3ccccc3c2[O-])[C@@H](C)O1 ZINC000412638923 235196113 /nfs/dbraw/zinc/19/61/13/235196113.db2.gz JLNKARZQMNZOKA-BZPMIXESSA-N -1 1 299.370 3.089 20 0 CGADMM CCCCc1nnc([N-]C(=O)c2coc(CCC)n2)s1 ZINC000273571698 192208477 /nfs/dbraw/zinc/20/84/77/192208477.db2.gz ZLCIYUNNUYQOOJ-UHFFFAOYSA-N -1 1 294.380 3.074 20 0 CGADMM CCCc1nc(C(=O)[N-]c2nc(C(C)(C)C)ns2)co1 ZINC000273673392 192256067 /nfs/dbraw/zinc/25/60/67/192256067.db2.gz ZNXLJDAVNZKSJM-UHFFFAOYSA-N -1 1 294.380 3.028 20 0 CGADMM Cc1ccc(C(F)(F)F)cc1NC(=O)c1cncc([O-])c1 ZINC000091480378 138344476 /nfs/dbraw/zinc/34/44/76/138344476.db2.gz ZCKYPUSVILOVJI-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM [O-]c1cccc(CNCC(F)(F)C(F)F)c1Cl ZINC000294588764 199098394 /nfs/dbraw/zinc/09/83/94/199098394.db2.gz HGWJFEBABCSGOH-UHFFFAOYSA-N -1 1 271.641 3.036 20 0 CGADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(F)c(F)c2)o1 ZINC000426799919 236315338 /nfs/dbraw/zinc/31/53/38/236315338.db2.gz JYNFMCUAUSDTDJ-CYBMUJFWSA-N -1 1 295.285 3.172 20 0 CGADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc3cc[nH]c32)o1 ZINC000426801161 236315874 /nfs/dbraw/zinc/31/58/74/236315874.db2.gz SDSBORJJTNCXKM-CQSZACIVSA-N -1 1 298.342 3.375 20 0 CGADMM Cc1cc(C)cc([C@@H](NCc2ccccc2F)C(=O)[O-])c1 ZINC000426757679 236311725 /nfs/dbraw/zinc/31/17/25/236311725.db2.gz PVVHBFZVMNIJGC-MRXNPFEDSA-N -1 1 287.334 3.358 20 0 CGADMM Cc1cc(C)c2c(c1)CN(C(=O)c1cc(F)ccc1[O-])CC2 ZINC000436680182 237157281 /nfs/dbraw/zinc/15/72/81/237157281.db2.gz NCMHOMCTFNLRFI-UHFFFAOYSA-N -1 1 299.345 3.347 20 0 CGADMM Cc1ccoc1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436702710 237162542 /nfs/dbraw/zinc/16/25/42/237162542.db2.gz JDTKKKKYPJGHGE-UHFFFAOYSA-N -1 1 299.248 3.242 20 0 CGADMM O=C(NC1(Cc2ccccc2)CC1)c1c([O-])cccc1F ZINC000436907810 237207065 /nfs/dbraw/zinc/20/70/65/237207065.db2.gz GWYGUYGDPVEYJI-UHFFFAOYSA-N -1 1 285.318 3.036 20 0 CGADMM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000298089962 200331133 /nfs/dbraw/zinc/33/11/33/200331133.db2.gz ROUBJGPZWDOGEI-IUODEOHRSA-N -1 1 299.370 3.185 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c(C)s1 ZINC000438773895 238207476 /nfs/dbraw/zinc/20/74/76/238207476.db2.gz NGCINFUOXRJDEQ-UHFFFAOYSA-N -1 1 297.401 3.180 20 0 CGADMM C[C@H]1CCC[C@H](C(=O)N=c2cc(-c3cccs3)[n-][nH]2)C1 ZINC000439115835 238231194 /nfs/dbraw/zinc/23/11/94/238231194.db2.gz GAYGIKPMVRUROD-QWRGUYRKSA-N -1 1 289.404 3.325 20 0 CGADMM C/C(=C\c1cccc(Cl)c1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000179234873 189179382 /nfs/dbraw/zinc/17/93/82/189179382.db2.gz NYLBFCXRQXQDTH-MARXPDLDSA-N -1 1 295.766 3.318 20 0 CGADMM Cc1ccc([C@@H]([N-]C(=O)C(F)(F)F)C2CC2)cc1 ZINC000299597990 200796214 /nfs/dbraw/zinc/79/62/14/200796214.db2.gz FTVXDSGQUCKRPB-LLVKDONJSA-N -1 1 257.255 3.125 20 0 CGADMM CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180328715 189250191 /nfs/dbraw/zinc/25/01/91/189250191.db2.gz QOOHZMKJZDNSFU-UHFFFAOYSA-N -1 1 287.281 3.283 20 0 CGADMM CC[C@@H]1C[C@H]1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000450724231 240054998 /nfs/dbraw/zinc/05/49/98/240054998.db2.gz MJZJARAHYVEFOU-OCCSQVGLSA-N -1 1 298.390 3.319 20 0 CGADMM CC(C)CCC[N-]S(=O)(=O)c1sccc1Cl ZINC000451034808 240197028 /nfs/dbraw/zinc/19/70/28/240197028.db2.gz DRBCQOVPIXYBAO-UHFFFAOYSA-N -1 1 281.830 3.116 20 0 CGADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000451178535 240237143 /nfs/dbraw/zinc/23/71/43/240237143.db2.gz NQNSPFJRGYINGB-KYZUINATSA-N -1 1 293.841 3.259 20 0 CGADMM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451184796 240242245 /nfs/dbraw/zinc/24/22/45/240242245.db2.gz NMHSQDAUKDOJSG-VIFPVBQESA-N -1 1 297.351 3.039 20 0 CGADMM CCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000016853154 368721550 /nfs/dbraw/zinc/72/15/50/368721550.db2.gz ILMPDEUTRVTEHK-UHFFFAOYSA-N -1 1 260.362 3.247 20 0 CGADMM O=C(Nc1ccncc1)c1ccc2ccccc2c1[O-] ZINC000017585537 368733712 /nfs/dbraw/zinc/73/37/12/368733712.db2.gz VEGLQKPFGRZVIL-UHFFFAOYSA-N -1 1 264.284 3.193 20 0 CGADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000019840035 368772012 /nfs/dbraw/zinc/77/20/12/368772012.db2.gz RVRYDBMVLQRIKX-NXEZZACHSA-N -1 1 267.756 3.164 20 0 CGADMM C[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000030016565 368900646 /nfs/dbraw/zinc/90/06/46/368900646.db2.gz WHUZVSGDUKKJNX-GXSJLCMTSA-N -1 1 267.756 3.354 20 0 CGADMM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccccc1[O-] ZINC000031588899 368915902 /nfs/dbraw/zinc/91/59/02/368915902.db2.gz CYSVPNWOWFIGRT-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM O=S(=O)(Cc1ccc(Cl)cc1)c1ccc([O-])cc1 ZINC000049489083 369405481 /nfs/dbraw/zinc/40/54/81/369405481.db2.gz GTSHSGWZUBSRHS-UHFFFAOYSA-N -1 1 282.748 3.020 20 0 CGADMM O=C([O-])[C@H](NCc1ccc(F)cc1Cl)c1ccccc1 ZINC000050510834 369440395 /nfs/dbraw/zinc/44/03/95/369440395.db2.gz ZOTVKNKHKJNBGW-CQSZACIVSA-N -1 1 293.725 3.395 20 0 CGADMM CCN(C[C@@H]1CCCO1)C(=O)c1cc2ccccc2cc1[O-] ZINC000057379219 369536243 /nfs/dbraw/zinc/53/62/43/369536243.db2.gz ZXIPWYDIRAPJLE-HNNXBMFYSA-N -1 1 299.370 3.187 20 0 CGADMM C[C@@]1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000062935142 369632682 /nfs/dbraw/zinc/63/26/82/369632682.db2.gz YQNLGWOMENSIMF-CYBMUJFWSA-N -1 1 288.174 3.290 20 0 CGADMM Cc1nc(C)c(CNC(=O)c2ccc(Cl)cc2[O-])s1 ZINC000075307389 369901607 /nfs/dbraw/zinc/90/16/07/369901607.db2.gz ALCYYPBSWHIYLB-UHFFFAOYSA-N -1 1 296.779 3.049 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCS[C@H]2CCCC[C@H]21 ZINC000092426631 370096612 /nfs/dbraw/zinc/09/66/12/370096612.db2.gz DVDXXIWOMAOVJE-OCCSQVGLSA-N -1 1 295.379 3.032 20 0 CGADMM CCOc1ccc(NC(=O)c2cncc([O-])c2)cc1Cl ZINC000109042221 370359740 /nfs/dbraw/zinc/35/97/40/370359740.db2.gz OHXJFYWYPFSURD-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM O=C(Nc1cccc2ccccc21)c1cncc([O-])c1 ZINC000111771156 370406340 /nfs/dbraw/zinc/40/63/40/370406340.db2.gz AISVDVFJXSAWTF-UHFFFAOYSA-N -1 1 264.284 3.193 20 0 CGADMM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cncc([O-])c1 ZINC000111776054 370407232 /nfs/dbraw/zinc/40/72/32/370407232.db2.gz VLCHVAYWGRPOCN-ZIAGYGMSSA-N -1 1 276.380 3.122 20 0 CGADMM CC(C)C[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000111823948 370408288 /nfs/dbraw/zinc/40/82/88/370408288.db2.gz IWWCEWJQHKNTNR-MRXNPFEDSA-N -1 1 284.359 3.304 20 0 CGADMM C[C@@H]1SCCN(C(=O)c2ccc(Cl)cc2[O-])[C@H]1C ZINC000118286279 370610556 /nfs/dbraw/zinc/61/05/56/370610556.db2.gz GUCUIESQJHTXEI-IUCAKERBSA-N -1 1 285.796 3.012 20 0 CGADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cncc([O-])c2)C1 ZINC000131729714 371126593 /nfs/dbraw/zinc/12/65/93/371126593.db2.gz YQTFFSKIWADKMO-UKRRQHHQSA-N -1 1 296.370 3.114 20 0 CGADMM O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(F)ccc1[O-] ZINC000132856589 371207212 /nfs/dbraw/zinc/20/72/12/371207212.db2.gz FDOTWINKPFPQFF-UHFFFAOYSA-N -1 1 289.350 3.230 20 0 CGADMM O=C(NC1CCSCC1)c1cc2ccccc2cc1[O-] ZINC000133933616 371289893 /nfs/dbraw/zinc/28/98/93/371289893.db2.gz LSKLZQNLLIOVFF-UHFFFAOYSA-N -1 1 287.384 3.171 20 0 CGADMM CSCC[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000134801028 371366283 /nfs/dbraw/zinc/36/62/83/371366283.db2.gz WWBLQUCDOAEWQC-SECBINFHSA-N -1 1 287.812 3.259 20 0 CGADMM CCOc1cc(C(=O)N[C@@H]2CCC2(C)C)cc(Cl)c1[O-] ZINC000287303032 371637740 /nfs/dbraw/zinc/63/77/40/371637740.db2.gz UKNKMKVQDNJXBH-GFCCVEGCSA-N -1 1 297.782 3.363 20 0 CGADMM Cc1ccc(CN(C(=O)c2ncccc2[O-])C2CC2)cc1C ZINC000153874176 371796879 /nfs/dbraw/zinc/79/68/79/371796879.db2.gz GRMULNNBNCFDGG-UHFFFAOYSA-N -1 1 296.370 3.209 20 0 CGADMM CCC1(CNC(=O)c2c(F)ccc([O-])c2F)CCCC1 ZINC000289888395 371847087 /nfs/dbraw/zinc/84/70/87/371847087.db2.gz SRHHURRZMNJBTQ-UHFFFAOYSA-N -1 1 283.318 3.371 20 0 CGADMM CCc1noc(C)c1CNCc1cccc([O-])c1Cl ZINC000292983073 372268529 /nfs/dbraw/zinc/26/85/29/372268529.db2.gz NGWYANZKGWKBLJ-UHFFFAOYSA-N -1 1 280.755 3.194 20 0 CGADMM CC(F)(F)CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000294225819 372619406 /nfs/dbraw/zinc/61/94/06/372619406.db2.gz NXULCBOIXMVVBJ-UHFFFAOYSA-N -1 1 279.286 3.321 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cccc3ncccc23)c1 ZINC000170047564 372634991 /nfs/dbraw/zinc/63/49/91/372634991.db2.gz DIUVMQBZXUWVKR-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CC(C)O[N-]C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000295516965 372811748 /nfs/dbraw/zinc/81/17/48/372811748.db2.gz IEEXCWKIJBOEFB-GFCCVEGCSA-N -1 1 277.364 3.085 20 0 CGADMM CC(C)CC1(C(=O)Nc2ccc(F)cc2[O-])CC1 ZINC000442574111 373058968 /nfs/dbraw/zinc/05/89/68/373058968.db2.gz YHEJNYOHTWEYQR-UHFFFAOYSA-N -1 1 251.301 3.296 20 0 CGADMM CC[C@@H](C)[C@H](NC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000444562307 373201231 /nfs/dbraw/zinc/20/12/31/373201231.db2.gz UBXRSXNTYCNOHF-HQJQHLMTSA-N -1 1 293.260 3.238 20 0 CGADMM Cc1ccc(C(C)(C)CN(C)C(=O)c2ncccc2[O-])cc1 ZINC000174506150 373329363 /nfs/dbraw/zinc/32/93/63/373329363.db2.gz PVKGEPGUVHVVKU-UHFFFAOYSA-N -1 1 298.386 3.145 20 0 CGADMM Cc1ccc(F)c(-c2cc(=NC(=O)C[C@H]3C=CCC3)[nH][n-]2)c1 ZINC000444813320 373280299 /nfs/dbraw/zinc/28/02/99/373280299.db2.gz NKDMLMDJOINGFD-LBPRGKRZSA-N -1 1 299.349 3.241 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000345334259 217505188 /nfs/dbraw/zinc/50/51/88/217505188.db2.gz QJSJUMGDRGKTNH-BDAKNGLRSA-N -1 1 253.729 3.420 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2ccc([O-])cc2F)[C@@H]1C(C)C ZINC000456328183 374515011 /nfs/dbraw/zinc/51/50/11/374515011.db2.gz JJXQARVCHDLINO-DZGCQCFKSA-N -1 1 279.355 3.284 20 0 CGADMM C[C@@H]1CC[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000331508741 374538765 /nfs/dbraw/zinc/53/87/65/374538765.db2.gz CLCTXRWEPIUYRD-SCZZXKLOSA-N -1 1 262.284 3.485 20 0 CGADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000092939162 541978213 /nfs/dbraw/zinc/97/82/13/541978213.db2.gz UTXYKCUOECUIEN-WPRPVWTQSA-N -1 1 288.174 3.288 20 0 CGADMM CC(=O)CC(C)(C)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456776846 374620173 /nfs/dbraw/zinc/62/01/73/374620173.db2.gz FQDNYVNSQHDGDQ-UHFFFAOYSA-N -1 1 285.290 3.004 20 0 CGADMM CCC[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(F)c2F)CCO1 ZINC000456777710 374620430 /nfs/dbraw/zinc/62/04/30/374620430.db2.gz GLPRPAKOPOYLRI-NXEZZACHSA-N -1 1 299.317 3.204 20 0 CGADMM CCO[C@H](CC(=O)Nc1ccc([O-])c(F)c1F)C(C)C ZINC000456786175 374624015 /nfs/dbraw/zinc/62/40/15/374624015.db2.gz NYPKXPXYDIQUNH-LLVKDONJSA-N -1 1 287.306 3.060 20 0 CGADMM CC[C@@H](Sc1nc(C(=O)OC)c[n-]1)c1ccccc1 ZINC000187595887 375051800 /nfs/dbraw/zinc/05/18/00/375051800.db2.gz ULJUKBQWOKOHIM-GFCCVEGCSA-N -1 1 276.361 3.440 20 0 CGADMM COC(=O)c1c[n-]c(SCc2c(C)cc(C)cc2C)n1 ZINC000187598765 375051940 /nfs/dbraw/zinc/05/19/40/375051940.db2.gz FHYLGWJNMLYDEF-UHFFFAOYSA-N -1 1 290.388 3.414 20 0 CGADMM CCc1ccccc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000188120311 375160955 /nfs/dbraw/zinc/16/09/55/375160955.db2.gz BAZSVUKAJRKDNC-UHFFFAOYSA-N -1 1 296.779 3.098 20 0 CGADMM C[C@@]1(C(=O)Nc2ccc([O-])c(F)c2F)CC=CCC1 ZINC000335221373 375239344 /nfs/dbraw/zinc/23/93/44/375239344.db2.gz XNJLKHBVSOPPDW-CQSZACIVSA-N -1 1 267.275 3.355 20 0 CGADMM CCc1nc(C(=O)Nc2ccc(Cl)cc2[O-])c(C)o1 ZINC000335910656 375533185 /nfs/dbraw/zinc/53/31/85/375533185.db2.gz YYCUKHQOYBPJOT-UHFFFAOYSA-N -1 1 280.711 3.157 20 0 CGADMM O=C([O-])C[C@H](NCc1cccc(F)c1F)c1cccs1 ZINC000111038444 542002187 /nfs/dbraw/zinc/00/21/87/542002187.db2.gz XXFAHEOLNNEJJM-NSHDSACASA-N -1 1 297.326 3.332 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CCSC3)n2)c(Cl)c1 ZINC000336179553 375753610 /nfs/dbraw/zinc/75/36/10/375753610.db2.gz QWZUXBMLONVZEM-ZETCQYMHSA-N -1 1 282.752 3.316 20 0 CGADMM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)[nH]n2)o1 ZINC000195601382 376114159 /nfs/dbraw/zinc/11/41/59/376114159.db2.gz PUJVCGUCOMCLMV-UHFFFAOYSA-N -1 1 285.278 3.370 20 0 CGADMM CC[C@@H](C)C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000536041193 376077537 /nfs/dbraw/zinc/07/75/37/376077537.db2.gz BMQLGMZFSABKSI-SSDOTTSWSA-N -1 1 283.784 3.198 20 0 CGADMM CC(C)(C)Cc1csc(NC(=O)c2cncc([O-])c2)n1 ZINC000340002564 376890073 /nfs/dbraw/zinc/89/00/73/376890073.db2.gz HGSOEZLDNAZTDS-UHFFFAOYSA-N -1 1 291.376 3.085 20 0 CGADMM CC1(C)C(C(=O)Nc2ccc(F)cc2[O-])C1(C)C ZINC000340329705 377005803 /nfs/dbraw/zinc/00/58/03/377005803.db2.gz FRJNHDLJIVECNY-UHFFFAOYSA-N -1 1 251.301 3.152 20 0 CGADMM O=C([O-])c1cccc(NCc2cnc(-c3ccccc3)[nH]2)c1 ZINC000340684732 377215769 /nfs/dbraw/zinc/21/57/69/377215769.db2.gz XVJOAYFZRGXCNX-UHFFFAOYSA-N -1 1 293.326 3.387 20 0 CGADMM CC(C)(C)CCCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000341088179 377392678 /nfs/dbraw/zinc/39/26/78/377392678.db2.gz HINNUJSWQJYPOR-UHFFFAOYSA-N -1 1 292.305 3.369 20 0 CGADMM O=C(NCCC1CC1)c1ccc2ccccc2c1[O-] ZINC000088459081 249026458 /nfs/dbraw/zinc/02/64/58/249026458.db2.gz NUMADMMYSXOJNX-UHFFFAOYSA-N -1 1 255.317 3.075 20 0 CGADMM O=C(Nc1ccc(F)cc1NC1CC1)c1ccccc1[O-] ZINC000092600697 249033901 /nfs/dbraw/zinc/03/39/01/249033901.db2.gz OFLZIWVVTSBZCC-UHFFFAOYSA-N -1 1 286.306 3.358 20 0 CGADMM Cc1cc(C)nc(-c2noc(-c3ccc([O-])cc3F)n2)c1 ZINC000313919940 249094584 /nfs/dbraw/zinc/09/45/84/249094584.db2.gz SUXVZFKFLYYZFU-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM Cc1cnc(SCCCCOC(C)(C)C)[n-]c1=O ZINC000516194753 249227852 /nfs/dbraw/zinc/22/78/52/249227852.db2.gz VCLQKZGBBBDTGI-UHFFFAOYSA-N -1 1 270.398 3.178 20 0 CGADMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc([C@H]2C[C@@H]2C)o1 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283.441 3.438 20 0 CGADMM CO[C@H](C)c1nc(=NC[C@@H]2CCC[C@H](C)[C@H]2C)s[n-]1 ZINC000509857261 392775310 /nfs/dbraw/zinc/77/53/10/392775310.db2.gz ZSEPZEXYELRXNC-QCNOEVLYSA-N -1 1 283.441 3.152 20 0 CGADMM CC(C)Oc1cccc(-c2nc3cccnc3c(=O)[n-]2)c1 ZINC000491587449 542717675 /nfs/dbraw/zinc/71/76/75/542717675.db2.gz YCUHKWFYBHSXLU-UHFFFAOYSA-N -1 1 281.315 3.185 20 0 CGADMM CCCOc1cccc(-c2nc3cccnc3c(=O)[n-]2)c1 ZINC000491598353 542718059 /nfs/dbraw/zinc/71/80/59/542718059.db2.gz FQLCAMUKZIXOGV-UHFFFAOYSA-N -1 1 281.315 3.186 20 0 CGADMM CC(C)CC1(CN=c2nc(C(F)(F)F)[n-]s2)CC1 ZINC000342554613 393003215 /nfs/dbraw/zinc/00/32/15/393003215.db2.gz VLXQNWIRYIMWDX-UHFFFAOYSA-N -1 1 279.331 3.217 20 0 CGADMM O=C([O-])c1coc(CNCc2ccccc2C(F)(F)F)c1 ZINC000228171845 393019218 /nfs/dbraw/zinc/01/92/18/393019218.db2.gz UJZKTUSOVVMLDF-UHFFFAOYSA-N -1 1 299.248 3.286 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CC12CCSCC2 ZINC000648940551 393296266 /nfs/dbraw/zinc/29/62/66/393296266.db2.gz 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LWUATYNYGFKBLC-UHFFFAOYSA-N -1 1 292.310 3.040 20 0 CGADMM [O-]c1ccc(-c2noc(Cc3ccc(F)cc3)n2)cc1F ZINC000445486206 393799984 /nfs/dbraw/zinc/79/99/84/393799984.db2.gz JTDORVFMBSQSJI-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM CCCCCc1nnc([N-]C(=O)c2ncccc2F)s1 ZINC000666968728 542830651 /nfs/dbraw/zinc/83/06/51/542830651.db2.gz XQBRKQHDLBBWNW-UHFFFAOYSA-N -1 1 294.355 3.057 20 0 CGADMM CCOc1cc(C(=O)N2CC[C@@H]2C2CC2)cc(Cl)c1[O-] ZINC000453037074 394150711 /nfs/dbraw/zinc/15/07/11/394150711.db2.gz OVDMTZLKRUQWET-GFCCVEGCSA-N -1 1 295.766 3.069 20 0 CGADMM CC(C)(C)c1nsc([N-]C(=O)c2ccc(F)s2)n1 ZINC000668098442 542969755 /nfs/dbraw/zinc/96/97/55/542969755.db2.gz IPZCQXCHAOOMDA-UHFFFAOYSA-N -1 1 285.369 3.289 20 0 CGADMM Cc1oc(C)c(C(=O)Nc2c([O-])cccc2F)c1C ZINC000670814553 543158978 /nfs/dbraw/zinc/15/89/78/543158978.db2.gz MQVUUVKXPXYRIB-UHFFFAOYSA-N -1 1 263.268 3.302 20 0 CGADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)cs1 ZINC000671784938 543190023 /nfs/dbraw/zinc/19/00/23/543190023.db2.gz 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/nfs/dbraw/zinc/07/77/39/287077739.db2.gz RJQNYOPGMJVFJM-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM Cc1ccc(-c2cc(NC(=O)c3ccccc3[O-])n[nH]2)s1 ZINC000111112248 287133149 /nfs/dbraw/zinc/13/31/49/287133149.db2.gz VSIBURCBSUAZOT-UHFFFAOYSA-N -1 1 299.355 3.405 20 0 CGADMM O=C(Nc1cccnc1)c1cc2ccccc2cc1[O-] ZINC000005940390 170159301 /nfs/dbraw/zinc/15/93/01/170159301.db2.gz FZFMNHRTFSTARO-UHFFFAOYSA-N -1 1 264.284 3.193 20 0 CGADMM CC[C@@H](C)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000035221375 172064000 /nfs/dbraw/zinc/06/40/00/172064000.db2.gz CVWCFEYQZKINOQ-LLVKDONJSA-N -1 1 257.333 3.416 20 0 CGADMM CC[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@@H](C)CO1 ZINC000403901141 416550318 /nfs/dbraw/zinc/55/03/18/416550318.db2.gz VKZJJHGMWFLRRB-GXTWGEPZSA-N -1 1 299.370 3.185 20 0 CGADMM CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000403954678 416551004 /nfs/dbraw/zinc/55/10/04/416551004.db2.gz ZHWWUOPBZPUYES-NEPJUHHUSA-N -1 1 297.782 3.075 20 0 CGADMM O=C([O-])c1cnc2ccccc2c1N1CCCC(F)(F)C1 ZINC000405100094 416558611 /nfs/dbraw/zinc/55/86/11/416558611.db2.gz GXAAHCVQTWOPIK-UHFFFAOYSA-N -1 1 292.285 3.169 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1Cc2ccccc2C2(CC2)C1 ZINC000681489003 543791236 /nfs/dbraw/zinc/79/12/36/543791236.db2.gz RTRMRJNQBMIISI-UHFFFAOYSA-N -1 1 297.329 3.219 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(F)cc1F ZINC000681016301 543756563 /nfs/dbraw/zinc/75/65/63/543756563.db2.gz MCQRSNMGIXYLBT-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM O=C(Nc1nc2c(s1)CCCC2)c1ccc([O-])c(F)c1 ZINC000681016205 543756736 /nfs/dbraw/zinc/75/67/36/543756736.db2.gz RILQHCQCHHZRSH-UHFFFAOYSA-N -1 1 292.335 3.119 20 0 CGADMM O=C(Nc1ccccc1OC(F)F)c1ccc([O-])c(F)c1 ZINC000681015286 543756951 /nfs/dbraw/zinc/75/69/51/543756951.db2.gz YQQWAEAOCWXYHZ-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM Cc1ccc([C@H](C)NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000681017262 543757354 /nfs/dbraw/zinc/75/73/54/543757354.db2.gz MEGSJPYRYZAZET-NSHDSACASA-N -1 1 273.307 3.331 20 0 CGADMM C[C@@H](Cc1ccccc1F)NC(=O)c1ccc([O-])c(F)c1 ZINC000681020813 543758205 /nfs/dbraw/zinc/75/82/05/543758205.db2.gz DYIHCGVJZSLEJL-JTQLQIEISA-N -1 1 291.297 3.031 20 0 CGADMM CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681042675 543759491 /nfs/dbraw/zinc/75/94/91/543759491.db2.gz RTPQVHMHSLUCDC-GXTWGEPZSA-N -1 1 279.355 3.476 20 0 CGADMM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc([O-])c(F)c1 ZINC000681055003 543761376 /nfs/dbraw/zinc/76/13/76/543761376.db2.gz NBGRHPFGQYEAEE-UHFFFAOYSA-N -1 1 299.301 3.303 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@@H](C)c1ccccc1 ZINC000681053308 543761493 /nfs/dbraw/zinc/76/14/93/543761493.db2.gz UQJKXVJNMCIAJM-VXGBXAGGSA-N -1 1 287.334 3.453 20 0 CGADMM O=C(NCCC1Cc2ccccc2C1)c1ccc([O-])c(F)c1 ZINC000681059554 543762146 /nfs/dbraw/zinc/76/21/46/543762146.db2.gz XJAQCZQNXJLSQI-UHFFFAOYSA-N -1 1 299.345 3.066 20 0 CGADMM Cc1cc(F)cc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681058279 543762614 /nfs/dbraw/zinc/76/26/14/543762614.db2.gz MZFGKQVBNZQTNF-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CCCCCN(CCCOC)C(=O)c1ccc([O-])c(F)c1 ZINC000681066770 543762991 /nfs/dbraw/zinc/76/29/91/543762991.db2.gz HKBDHYFDRFGAES-UHFFFAOYSA-N -1 1 297.370 3.200 20 0 CGADMM O=C([O-])[C@@H](NCc1ccc(F)cc1)c1cc(F)ccc1F ZINC000683173426 543900927 /nfs/dbraw/zinc/90/09/27/543900927.db2.gz HPIPCGCRKWAQQP-AWEZNQCLSA-N -1 1 295.260 3.019 20 0 CGADMM O=C([O-])c1cccc(CNCc2cc3ccccc3o2)c1 ZINC000683176897 543901471 /nfs/dbraw/zinc/90/14/71/543901471.db2.gz WBROYECZPUIWHI-UHFFFAOYSA-N -1 1 281.311 3.421 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1C[C@H]1C1CCCC1 ZINC000652422166 418966566 /nfs/dbraw/zinc/96/65/66/418966566.db2.gz QCUKXPKPSGRCEU-UWVGGRQHSA-N -1 1 281.302 3.435 20 0 CGADMM CC(C)c1noc([N-][C@H](c2ccccc2)[C@@H](O)C(C)C)n1 ZINC000664531538 418972964 /nfs/dbraw/zinc/97/29/64/418972964.db2.gz MYGYSPUUJNODET-KGLIPLIRSA-N -1 1 289.379 3.363 20 0 CGADMM C[C@@H](CN(Cc1cc(F)ccc1Cl)C1CC1)C(=O)[O-] ZINC000652489322 418974677 /nfs/dbraw/zinc/97/46/77/418974677.db2.gz GBEUCBXQDIOXPA-VIFPVBQESA-N -1 1 285.746 3.164 20 0 CGADMM CCN(Cc1ccoc1)Cc1cc(C(=O)[O-])sc1C ZINC000652408138 418962427 /nfs/dbraw/zinc/96/24/27/418962427.db2.gz DMWFVTDHCCFMIB-UHFFFAOYSA-N -1 1 279.361 3.370 20 0 CGADMM O=C(NCCCC1CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000655239455 419032790 /nfs/dbraw/zinc/03/27/90/419032790.db2.gz XPNOYUOBJNQIOY-UHFFFAOYSA-N -1 1 287.281 3.331 20 0 CGADMM O=C(NCC1(C2CCC2)CCC1)c1ccc([O-])c(F)c1 ZINC000654593226 418988134 /nfs/dbraw/zinc/98/81/34/418988134.db2.gz FCJSUQNVUVWOQU-UHFFFAOYSA-N -1 1 277.339 3.232 20 0 CGADMM Cc1ccnc(CN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000659794043 418993579 /nfs/dbraw/zinc/99/35/79/418993579.db2.gz KDRVADQEUBEVCZ-DLBZAZTESA-N -1 1 296.370 3.180 20 0 CGADMM CN(Cc1cccc(Cl)c1Cl)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659802594 418994866 /nfs/dbraw/zinc/99/48/66/418994866.db2.gz XLQLINWDRJKPAX-AOOOYVTPSA-N -1 1 288.174 3.288 20 0 CGADMM CCC1(NC(=O)c2ccc([O-])c(F)c2)CCCCC1 ZINC000653897038 419106195 /nfs/dbraw/zinc/10/61/95/419106195.db2.gz DCBQVSRAHILCDN-UHFFFAOYSA-N -1 1 265.328 3.374 20 0 CGADMM CCS(=O)(=O)[N-]c1cc(-c2cc(C)co2)ccc1OC ZINC000665192321 419076496 /nfs/dbraw/zinc/07/64/96/419076496.db2.gz JJSCOGKQONUTKN-UHFFFAOYSA-N -1 1 295.360 3.025 20 0 CGADMM Cc1cc2[n-]c(CC3CC(F)(F)C3)nc(=O)c2s1 ZINC000656492223 419178135 /nfs/dbraw/zinc/17/81/35/419178135.db2.gz ZNHZNTNCDYZLPU-UHFFFAOYSA-N -1 1 270.304 3.293 20 0 CGADMM Cc1cc2[n-]c(-c3ccc4c(c3)CCC4)nc(=O)c2s1 ZINC000656490463 419178365 /nfs/dbraw/zinc/17/83/65/419178365.db2.gz DBEZZPOIKGHLHF-UHFFFAOYSA-N -1 1 282.368 3.449 20 0 CGADMM COCC1(CNC(=O)c2cc3ccccc3cc2[O-])CCC1 ZINC000390701819 262242455 /nfs/dbraw/zinc/24/24/55/262242455.db2.gz FBQXYQFCVNKVEH-UHFFFAOYSA-N -1 1 299.370 3.092 20 0 CGADMM Cc1coc2ccc(NC(=O)c3ccc(O)cc3[O-])cc12 ZINC000185771032 262308587 /nfs/dbraw/zinc/30/85/87/262308587.db2.gz IJLADTNHOMXONA-UHFFFAOYSA-N -1 1 283.283 3.405 20 0 CGADMM C[C@@H](CC(F)(F)F)NC(=O)c1ccc(Cl)cc1[O-] ZINC000231754235 287644251 /nfs/dbraw/zinc/64/42/51/287644251.db2.gz ZTVUMUNPVUODCC-LURJTMIESA-N -1 1 281.661 3.116 20 0 CGADMM O=C(Nc1ccc(Cl)c(F)c1)c1ccccc1[O-] ZINC000042314912 270032336 /nfs/dbraw/zinc/03/23/36/270032336.db2.gz FWURJSIYYMJOAA-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM CC[C@@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000044490843 270035624 /nfs/dbraw/zinc/03/56/24/270035624.db2.gz LIMWFOPYPRLWIV-SNVBAGLBSA-N -1 1 298.180 3.169 20 0 CGADMM CCC(CC)NC(=O)c1cc(Br)ccc1[O-] ZINC000217519915 270085346 /nfs/dbraw/zinc/08/53/46/270085346.db2.gz LCNWBKJYRUTZHC-UHFFFAOYSA-N -1 1 286.169 3.073 20 0 CGADMM CS[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000227354589 270086910 /nfs/dbraw/zinc/08/69/10/270086910.db2.gz ODWWRVSQKRPOTJ-WDEREUQCSA-N -1 1 299.823 3.450 20 0 CGADMM CCC(C)(C)OC1CN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000529813195 270189213 /nfs/dbraw/zinc/18/92/13/270189213.db2.gz WKBBNLJEXRNAFB-UHFFFAOYSA-N -1 1 297.782 3.075 20 0 CGADMM Cc1cc(C)cc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000531756355 270209445 /nfs/dbraw/zinc/20/94/45/270209445.db2.gz SQYWHDJTHAKUMN-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCC1 ZINC000411403834 288056446 /nfs/dbraw/zinc/05/64/46/288056446.db2.gz XLFNPQNKWTVBNK-SNVBAGLBSA-N -1 1 285.347 3.157 20 0 CGADMM Cc1nc(-c2ccc(N[C@@H]3CCC[C@H]3C)nc2)[n-]c(=O)c1C ZINC000301392189 279062283 /nfs/dbraw/zinc/06/22/83/279062283.db2.gz BIRABBCEGRZVDH-QMTHXVAHSA-N -1 1 298.390 3.462 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1noc2c1CCCC2 ZINC000339007182 280016012 /nfs/dbraw/zinc/01/60/12/280016012.db2.gz NOLHDOOTESJUDR-UHFFFAOYSA-N -1 1 292.722 3.165 20 0 CGADMM Cc1cc(-c2nc3cccc(C)c3c(=O)[n-]2)cc(C)c1O ZINC000436667197 280287681 /nfs/dbraw/zinc/28/76/81/280287681.db2.gz WVAUPRUJISJPCJ-UHFFFAOYSA-N -1 1 280.327 3.221 20 0 CGADMM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cccc(F)c1[O-] ZINC000530004149 288280804 /nfs/dbraw/zinc/28/08/04/288280804.db2.gz CDFIPEPOZNGVAH-QMMMGPOBSA-N -1 1 292.310 3.268 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CC2CCC1CC2 ZINC000530006478 288282040 /nfs/dbraw/zinc/28/20/40/288282040.db2.gz SWLYPBVARYEFPP-VQXHTEKXSA-N -1 1 263.312 3.296 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1Cc2cccnc2C1 ZINC000550120138 289067410 /nfs/dbraw/zinc/06/74/10/289067410.db2.gz MRSCHTHSYQJZGL-UHFFFAOYSA-N -1 1 290.322 3.096 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CC[C@H]3CCC[C@H]3C2)s[n-]1 ZINC000337852133 294343594 /nfs/dbraw/zinc/34/35/94/294343594.db2.gz GELFLZRKVQAIGN-WISYIIOYSA-N -1 1 281.425 3.048 20 0 CGADMM COc1cc(C(=O)N2CCCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000442962572 294927013 /nfs/dbraw/zinc/92/70/13/294927013.db2.gz CLSNVGKZISAIEJ-JTQLQIEISA-N -1 1 297.782 3.459 20 0 CGADMM [O-]c1c(-c2nc([C@H]3CCCOC3)no2)ccc2ccccc21 ZINC000387777737 327812032 /nfs/dbraw/zinc/81/20/32/327812032.db2.gz HHZXLKIKFSSWPJ-LBPRGKRZSA-N -1 1 296.326 3.489 20 0 CGADMM CO[C@@H]([C@@H](C)NC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000388315563 327868348 /nfs/dbraw/zinc/86/83/48/327868348.db2.gz UVTXKQRODPAZKD-DIFFPNOSSA-N -1 1 299.370 3.089 20 0 CGADMM Cc1cncc(/C=C/C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000153456603 321720039 /nfs/dbraw/zinc/72/00/39/321720039.db2.gz RALTVBHDMZCCFQ-GORDUTHDSA-N -1 1 288.734 3.401 20 0 CGADMM Cc1cc(CNCc2cc(C(=O)[O-])co2)cc2cccnc12 ZINC000426710385 533705373 /nfs/dbraw/zinc/70/53/73/533705373.db2.gz VZFZRHZBGPKHIV-UHFFFAOYSA-N -1 1 296.326 3.124 20 0 CGADMM O=C([O-])c1cc(F)ccc1CN1CCC[C@H]1c1ccco1 ZINC000568062795 322191279 /nfs/dbraw/zinc/19/12/79/322191279.db2.gz PSIWTAOLIQKHAA-AWEZNQCLSA-N -1 1 289.306 3.454 20 0 CGADMM C[C@H](c1c(F)cccc1F)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000568883163 322226487 /nfs/dbraw/zinc/22/64/87/322226487.db2.gz SDLXMZOAWJVGHE-MXWKQRLJSA-N -1 1 283.318 3.068 20 0 CGADMM C[C@H](CC(=O)[O-])N(C)Cc1nc(-c2ccccc2)cs1 ZINC000569709327 322255155 /nfs/dbraw/zinc/25/51/55/322255155.db2.gz BJTINNXWWKDZGY-LLVKDONJSA-N -1 1 290.388 3.105 20 0 CGADMM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(C)c2c[nH]nc21 ZINC000573281630 322380015 /nfs/dbraw/zinc/38/00/15/322380015.db2.gz FXDLSNPSBLEQGH-NSHDSACASA-N -1 1 295.408 3.192 20 0 CGADMM Cc1cnc(SCC2CCC(C)CC2)[n-]c1=O ZINC000574532013 322445652 /nfs/dbraw/zinc/44/56/52/322445652.db2.gz IBANRJPTLQQTET-UHFFFAOYSA-N -1 1 252.383 3.409 20 0 CGADMM Cc1cnc(SCCCc2ccsc2)[n-]c1=O ZINC000576411991 335200886 /nfs/dbraw/zinc/20/08/86/335200886.db2.gz VMAXGIVMQMNAIA-UHFFFAOYSA-N -1 1 266.391 3.277 20 0 CGADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)co1 ZINC000350615012 335520945 /nfs/dbraw/zinc/52/09/45/335520945.db2.gz ZVUGJGSYLSZIKC-UHFFFAOYSA-N -1 1 260.224 3.150 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(Cl)o2)no1 ZINC000350907774 335546815 /nfs/dbraw/zinc/54/68/15/335546815.db2.gz LFYIARNBAVSGGH-UHFFFAOYSA-N -1 1 280.642 3.495 20 0 CGADMM C[C@]1([N-]S(=O)(=O)c2cc3ccccc3o2)CC=CCC1 ZINC000580822597 335970662 /nfs/dbraw/zinc/97/06/62/335970662.db2.gz YMHWUIRVOJKCHW-HNNXBMFYSA-N -1 1 291.372 3.210 20 0 CGADMM CCCC[C@@H](C(=O)[O-])N1CCc2c3ccccc3[nH]c2C1 ZINC000581889633 336160815 /nfs/dbraw/zinc/16/08/15/336160815.db2.gz FPLZEDZHKHJDNI-INIZCTEOSA-N -1 1 286.375 3.169 20 0 CGADMM CC(C)N(CC(F)F)C(=O)c1ccc(Cl)cc1[O-] ZINC000387006393 336183596 /nfs/dbraw/zinc/18/35/96/336183596.db2.gz XNRJYHQTZIXVEY-UHFFFAOYSA-N -1 1 277.698 3.161 20 0 CGADMM Cc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)ccc1F ZINC000426789004 533728903 /nfs/dbraw/zinc/72/89/03/533728903.db2.gz QUNDGHUMIRRYIR-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM COc1cc(F)c(F)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000436795441 533972634 /nfs/dbraw/zinc/97/26/34/533972634.db2.gz QXYWZYZUWHSBFS-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM C[C@@H](CNC(=O)c1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC000436551874 534033766 /nfs/dbraw/zinc/03/37/66/534033766.db2.gz AXSXFMMEWCYIHK-JTQLQIEISA-N -1 1 291.297 3.204 20 0 CGADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000055106030 519728296 /nfs/dbraw/zinc/72/82/96/519728296.db2.gz OIKIEUHVUCTJBB-UHFFFAOYSA-N -1 1 298.342 3.220 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C/c3cncs3)n2)cc1F ZINC000436877863 534451301 /nfs/dbraw/zinc/45/13/01/534451301.db2.gz IACKEMZLZSGSEV-DUXPYHPUSA-N -1 1 289.291 3.208 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCc2c1cccc2Cl ZINC000155657838 534667550 /nfs/dbraw/zinc/66/75/50/534667550.db2.gz WQEDETFMQPVRDB-UHFFFAOYSA-N -1 1 291.709 3.388 20 0 CGADMM O=C(N[C@@H]1CCc2c1cccc2F)c1c([O-])cccc1F ZINC000436943933 534776161 /nfs/dbraw/zinc/77/61/61/534776161.db2.gz HUKSLZSEWOMISJ-CYBMUJFWSA-N -1 1 289.281 3.088 20 0 CGADMM O=S(=O)(CCC1CC1)[N-]c1cccc2ccsc21 ZINC000356039064 534858849 /nfs/dbraw/zinc/85/88/49/534858849.db2.gz VLHWKRYXGXUTQH-UHFFFAOYSA-N -1 1 281.402 3.443 20 0 CGADMM Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000183708997 526518690 /nfs/dbraw/zinc/51/86/90/526518690.db2.gz AKQSINPTTUEMOC-ZETCQYMHSA-N -1 1 293.754 3.128 20 0 CGADMM CC(C)(NC(=O)c1c([O-])cccc1F)c1ccccc1F ZINC000436780869 527282943 /nfs/dbraw/zinc/28/29/43/527282943.db2.gz QUWORFPZWRUVOQ-UHFFFAOYSA-N -1 1 291.297 3.336 20 0 CGADMM CC(C)OC1CC(Sc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000412998410 527883405 /nfs/dbraw/zinc/88/34/05/527883405.db2.gz CFVUWOGTLSEMOB-UHFFFAOYSA-N -1 1 290.335 3.168 20 0 CGADMM CC(C)c1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436664589 528176566 /nfs/dbraw/zinc/17/65/66/528176566.db2.gz JVXHSAAWCPYSAW-UHFFFAOYSA-N -1 1 283.327 3.337 20 0 CGADMM CC(C)c1nc(=NC[C@H]2CCC[C@H](C(F)(F)F)C2)o[n-]1 ZINC000439609295 528258281 /nfs/dbraw/zinc/25/82/81/528258281.db2.gz ADFDYMCYFITHFB-UWVGGRQHSA-N -1 1 291.317 3.396 20 0 CGADMM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(F)cc2[O-])CCO1 ZINC000359358816 528777475 /nfs/dbraw/zinc/77/74/75/528777475.db2.gz IYDVXFUYBNEHPQ-ABAIWWIYSA-N -1 1 295.354 3.311 20 0 CGADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436685340 528865545 /nfs/dbraw/zinc/86/55/45/528865545.db2.gz BHLWZXGODCTKPB-DOMZBBRYSA-N -1 1 289.375 3.050 20 0 CGADMM CC1(C)CC(c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000436878604 528891018 /nfs/dbraw/zinc/89/10/18/528891018.db2.gz KKWWSSMNGOVHOP-UHFFFAOYSA-N -1 1 262.284 3.485 20 0 CGADMM CC(C)[C@H](NC(=O)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000436831843 529107168 /nfs/dbraw/zinc/10/71/68/529107168.db2.gz UHPPUNXZZBVZIM-JTQLQIEISA-N -1 1 295.688 3.362 20 0 CGADMM C[C@@H](c1cc(F)ccc1F)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173875 572403872 /nfs/dbraw/zinc/40/38/72/572403872.db2.gz GOXUAUJOTVGKHE-BFVZDQMLSA-N -1 1 298.333 3.004 20 0 CGADMM O=C([O-])CC1CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000739639924 572421160 /nfs/dbraw/zinc/42/11/60/572421160.db2.gz DSNQFIUIHZTMLR-UHFFFAOYSA-N -1 1 288.322 3.065 20 0 CGADMM C[C@H](c1cccc(Cl)c1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737722820 572448102 /nfs/dbraw/zinc/44/81/02/572448102.db2.gz XHAMUPQJRXJLDK-LLVKDONJSA-N -1 1 296.798 3.475 20 0 CGADMM O=C(NC/C=C\c1ccccc1)c1c([O-])cccc1Cl ZINC000733000548 572499091 /nfs/dbraw/zinc/49/90/91/572499091.db2.gz QWYMRSLSOXHKSN-YVMONPNESA-N -1 1 287.746 3.489 20 0 CGADMM CCC[C@H]1CCCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000736435095 572791379 /nfs/dbraw/zinc/79/13/79/572791379.db2.gz JMKWKJIDGKQVPD-NWDGAFQWSA-N -1 1 286.383 3.033 20 0 CGADMM CCC[C@H]1CCCC[C@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000736435095 572791383 /nfs/dbraw/zinc/79/13/83/572791383.db2.gz JMKWKJIDGKQVPD-NWDGAFQWSA-N -1 1 286.383 3.033 20 0 CGADMM O=C([N-][C@@H](c1cccs1)C1CC1)C(F)(F)C(F)F ZINC000749340277 572992320 /nfs/dbraw/zinc/99/23/20/572992320.db2.gz OXXJQEAHHZISCQ-MRVPVSSYSA-N -1 1 281.274 3.216 20 0 CGADMM C[C@H](c1ccco1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000086724973 597345224 /nfs/dbraw/zinc/34/52/24/597345224.db2.gz ZEPQSJZLFGNQRC-LLVKDONJSA-N -1 1 259.305 3.171 20 0 CGADMM C[C@H]1CCC[C@@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820698148 599527980 /nfs/dbraw/zinc/52/79/80/599527980.db2.gz QJJYFGOTOQVODO-JQWIXIFHSA-N -1 1 294.362 3.015 20 0 CGADMM C[C@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820698148 599527982 /nfs/dbraw/zinc/52/79/82/599527982.db2.gz QJJYFGOTOQVODO-JQWIXIFHSA-N -1 1 294.362 3.015 20 0 CGADMM Fc1cccc(OC/C=C\c2ccccc2)c1-c1nnn[n-]1 ZINC000826378048 607865566 /nfs/dbraw/zinc/86/55/66/607865566.db2.gz SIGLTWHTKSGZPS-YVMONPNESA-N -1 1 296.305 3.098 20 0 CGADMM Fc1cccc(OC/C=C\c2ccccc2)c1-c1nn[n-]n1 ZINC000826378048 607865567 /nfs/dbraw/zinc/86/55/67/607865567.db2.gz SIGLTWHTKSGZPS-YVMONPNESA-N -1 1 296.305 3.098 20 0 CGADMM Cn1cccc1[C@@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000833059592 601117598 /nfs/dbraw/zinc/11/75/98/601117598.db2.gz TXLZTZUXMHWXTN-HNNXBMFYSA-N -1 1 288.347 3.044 20 0 CGADMM C/C(=C\CN1CCC[C@H]1c1ccc(F)c(F)c1)C(=O)[O-] ZINC000825741207 601166941 /nfs/dbraw/zinc/16/69/41/601166941.db2.gz JXJOSSREBZWNMN-XYYIANASSA-N -1 1 281.302 3.133 20 0 CGADMM C[C@@H]1CN(Cc2ccoc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000828462018 601179338 /nfs/dbraw/zinc/17/93/38/601179338.db2.gz FYPOGRSMBXCYLT-RISCZKNCSA-N -1 1 271.316 3.171 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1cccc2cnccc21 ZINC000899354836 620650521 /nfs/dbraw/zinc/65/05/21/620650521.db2.gz KSDJCPFMMGCNNL-UHFFFAOYSA-N -1 1 265.316 3.128 20 0 CGADMM O=C([O-])c1cc(CNCc2cccc(Cl)c2Cl)c[nH]1 ZINC000833298318 601833143 /nfs/dbraw/zinc/83/31/43/601833143.db2.gz XHISNSJUGHVOQP-UHFFFAOYSA-N -1 1 299.157 3.310 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(Cl)c(F)c1)CC2 ZINC000405377444 604649471 /nfs/dbraw/zinc/64/94/71/604649471.db2.gz VEELOLLJPMVWBS-NSHDSACASA-N -1 1 297.757 3.166 20 0 CGADMM CC(C)(C)c1cnc(CN[C@@]2(C)CCCC[C@H]2C(=O)[O-])o1 ZINC000833450136 604816360 /nfs/dbraw/zinc/81/63/60/604816360.db2.gz ZLCTZXGJFINNJO-ZBEGNZNMSA-N -1 1 294.395 3.095 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1cccc(F)c1Cl)CC2 ZINC000405365047 604907947 /nfs/dbraw/zinc/90/79/47/604907947.db2.gz IVTRBESWKYYBMI-NSHDSACASA-N -1 1 297.757 3.166 20 0 CGADMM C[C@H]1Cc2ccccc2CN1Cc1ccc(NC(=O)[O-])nc1 ZINC000833839214 605606856 /nfs/dbraw/zinc/60/68/56/605606856.db2.gz SNRVSBDEBLJRFS-LBPRGKRZSA-N -1 1 297.358 3.118 20 0 CGADMM C[C@@H](c1ccc(F)cc1F)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833833621 605893654 /nfs/dbraw/zinc/89/36/54/605893654.db2.gz YVESNSYIULPKJJ-OUAUKWLOSA-N -1 1 298.333 3.004 20 0 CGADMM C[C@H](c1cc(F)ccc1F)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833831593 605909432 /nfs/dbraw/zinc/90/94/32/605909432.db2.gz OOBSFAYCCQAXLJ-GMTAPVOTSA-N -1 1 298.333 3.004 20 0 CGADMM CCC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000821020514 606213239 /nfs/dbraw/zinc/21/32/39/606213239.db2.gz COJZOCFAHXKZPK-ZDUSSCGKSA-N -1 1 294.362 3.215 20 0 CGADMM CCC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821020514 606213240 /nfs/dbraw/zinc/21/32/40/606213240.db2.gz COJZOCFAHXKZPK-ZDUSSCGKSA-N -1 1 294.362 3.215 20 0 CGADMM Clc1ccc(SC2CCCCC2)nc1-c1nnn[n-]1 ZINC000822578670 606438881 /nfs/dbraw/zinc/43/88/81/606438881.db2.gz NRIDGCHMUZHQRA-UHFFFAOYSA-N -1 1 295.799 3.340 20 0 CGADMM Clc1ccc(SC2CCCCC2)nc1-c1nn[n-]n1 ZINC000822578670 606438882 /nfs/dbraw/zinc/43/88/82/606438882.db2.gz NRIDGCHMUZHQRA-UHFFFAOYSA-N -1 1 295.799 3.340 20 0 CGADMM CCCCCC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900081385 620758468 /nfs/dbraw/zinc/75/84/68/620758468.db2.gz DMTSMDGGYZMFSL-NSHDSACASA-N -1 1 291.395 3.148 20 0 CGADMM O=C(NCCSC(F)(F)F)c1c([O-])cccc1Cl ZINC000049090511 618057906 /nfs/dbraw/zinc/05/79/06/618057906.db2.gz KTBNMEJBVQPEDL-UHFFFAOYSA-N -1 1 299.701 3.028 20 0 CGADMM CCCCCC[C@@H](C)CC(=O)NCc1n[n-]c(=S)n1C ZINC000066625676 618860754 /nfs/dbraw/zinc/86/07/54/618860754.db2.gz UELNVGZLIOBJMS-LLVKDONJSA-N -1 1 298.456 3.090 20 0 CGADMM CC(C)C[C@@H](C)CC(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066640748 618863217 /nfs/dbraw/zinc/86/32/17/618863217.db2.gz HFDMLRRFDRYVLV-LLVKDONJSA-N -1 1 298.456 3.210 20 0 CGADMM CCC1=C(C(=O)Nc2ccc([O-])c(Cl)c2)CCCO1 ZINC000189666474 619094409 /nfs/dbraw/zinc/09/44/09/619094409.db2.gz WPRSWJBYXOABLJ-UHFFFAOYSA-N -1 1 281.739 3.459 20 0 CGADMM Cc1ccccc1CCNC(=O)c1c([O-])cccc1Cl ZINC000049085032 619684917 /nfs/dbraw/zinc/68/49/17/619684917.db2.gz DCGZSENMSXEYCU-UHFFFAOYSA-N -1 1 289.762 3.327 20 0 CGADMM O=C(C[C@@H]1CCC2(CCC2)CO1)Nc1ccc(F)cc1[O-] ZINC000897013960 620119298 /nfs/dbraw/zinc/11/92/98/620119298.db2.gz ILZIMIPWJWJULG-LBPRGKRZSA-N -1 1 293.338 3.209 20 0 CGADMM Cc1noc(C(C)C)c1NC(=O)c1ccc([O-])cc1F ZINC000928786365 620219523 /nfs/dbraw/zinc/21/95/23/620219523.db2.gz RAVOJTOXHPDRCM-UHFFFAOYSA-N -1 1 278.283 3.203 20 0 CGADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2F)C1 ZINC000263043479 620286981 /nfs/dbraw/zinc/28/69/81/620286981.db2.gz JJPCRUNFIDFJSH-MWLCHTKSSA-N -1 1 285.746 3.022 20 0 CGADMM CCC[C@H](Nc1ccnc2cc(F)c(OC)cc21)C(=O)[O-] ZINC000263555171 620326534 /nfs/dbraw/zinc/32/65/34/620326534.db2.gz NUTPFSWNYYGPDU-LBPRGKRZSA-N -1 1 292.310 3.048 20 0 CGADMM CCC[C@H](NCc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000262566902 620382925 /nfs/dbraw/zinc/38/29/25/620382925.db2.gz YCVNDSABWQZMDA-AWEZNQCLSA-N -1 1 291.322 3.429 20 0 CGADMM CCC(C)(C)CC(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000073083802 625430094 /nfs/dbraw/zinc/43/00/94/625430094.db2.gz FUFKLWDBKPXCHE-UHFFFAOYSA-N -1 1 298.456 3.007 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CCCC(F)(F)C1 ZINC000898575889 620597362 /nfs/dbraw/zinc/59/73/62/620597362.db2.gz ZXTLXDHFBCNRRL-SECBINFHSA-N -1 1 273.254 3.061 20 0 CGADMM Cc1cc([C@H](N[C@H](C)c2ccccn2)C(=O)[O-])ccc1F ZINC000901845418 621050741 /nfs/dbraw/zinc/05/07/41/621050741.db2.gz ZJQFKMZBDDQHDF-ABAIWWIYSA-N -1 1 288.322 3.006 20 0 CGADMM CC(C)c1ncc(CN(CC(=O)[O-])C2CCCC2)s1 ZINC000902038753 621110247 /nfs/dbraw/zinc/11/02/47/621110247.db2.gz PRMYXOQVPFHMQK-UHFFFAOYSA-N -1 1 282.409 3.096 20 0 CGADMM CCOc1ccccc1CNCc1cc(C(=O)[O-])cs1 ZINC000902095833 621147835 /nfs/dbraw/zinc/14/78/35/621147835.db2.gz XAKJJTRGULSNII-UHFFFAOYSA-N -1 1 291.372 3.135 20 0 CGADMM Cc1scc(CNCc2ccc(/C=C\C(=O)[O-])o2)c1C ZINC000902263249 621216345 /nfs/dbraw/zinc/21/63/45/621216345.db2.gz MLRNRIITUOLVOZ-WAYWQWQTSA-N -1 1 291.372 3.346 20 0 CGADMM C[C@@H]1C[C@H](NCC(F)(F)C(C)(C)C)CC[C@H]1C(=O)[O-] ZINC000902469946 621340521 /nfs/dbraw/zinc/34/05/21/621340521.db2.gz CLQOVEZNLIARTM-GMTAPVOTSA-N -1 1 277.355 3.147 20 0 CGADMM O=C([O-])c1cncc(CN2CCC[C@H]2c2cccs2)c1 ZINC000903885491 621826920 /nfs/dbraw/zinc/82/69/20/621826920.db2.gz OBKJGSRIZZJYKH-ZDUSSCGKSA-N -1 1 288.372 3.178 20 0 CGADMM Cc1coc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000904046310 621859225 /nfs/dbraw/zinc/85/92/25/621859225.db2.gz ZEPUJLIQSJOEQT-HNNXBMFYSA-N -1 1 273.332 3.202 20 0 CGADMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC000904262280 621894230 /nfs/dbraw/zinc/89/42/30/621894230.db2.gz CCORQZBQJFPPFI-AWEZNQCLSA-N -1 1 275.373 3.280 20 0 CGADMM CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000904402396 621918366 /nfs/dbraw/zinc/91/83/66/621918366.db2.gz XAPJUUZSQYAWBZ-OAHLLOKOSA-N -1 1 297.782 3.122 20 0 CGADMM CCCOc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1 ZINC000905076676 622037485 /nfs/dbraw/zinc/03/74/85/622037485.db2.gz KELAGQMQARRNPE-RMKNXTFCSA-N -1 1 286.331 3.150 20 0 CGADMM O=C([O-])c1csc(CN[C@@H]2CCCc3cccnc32)c1 ZINC000905747438 622098877 /nfs/dbraw/zinc/09/88/77/622098877.db2.gz AERIRUABBGNSRB-CYBMUJFWSA-N -1 1 288.372 3.009 20 0 CGADMM Cc1cccc([C@@H](C)NCc2ccc(C(=O)[O-])cn2)c1C ZINC000905723874 622100526 /nfs/dbraw/zinc/10/05/26/622100526.db2.gz JNYJUSGNNMFGID-CYBMUJFWSA-N -1 1 284.359 3.247 20 0 CGADMM C[C@@H](CC(C)(C)CC(=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC000905788346 622115005 /nfs/dbraw/zinc/11/50/05/622115005.db2.gz AQTKUCBUTPPCCQ-NSHDSACASA-N -1 1 296.411 3.341 20 0 CGADMM O=C(C=C1CCCC1)Nc1cc([O-])c(F)cc1F ZINC000909976049 622439825 /nfs/dbraw/zinc/43/98/25/622439825.db2.gz VSJVZBLSSYPNMQ-UHFFFAOYSA-N -1 1 253.248 3.109 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C12CCC(CC1)C2 ZINC000909986120 622442939 /nfs/dbraw/zinc/44/29/39/622442939.db2.gz ZYJUGVIMHWDOMH-UHFFFAOYSA-N -1 1 267.275 3.189 20 0 CGADMM C/C(=C(/F)C(=O)Nc1cc(F)cc(F)c1[O-])C1CC1 ZINC000910990080 622514513 /nfs/dbraw/zinc/51/45/13/622514513.db2.gz HIJDMRXJABDOJD-WDZFZDKYSA-N -1 1 271.238 3.262 20 0 CGADMM O=C(/C=C\c1cccc2c1OCCO2)c1ccc([O-])cc1 ZINC000054801637 622798570 /nfs/dbraw/zinc/79/85/70/622798570.db2.gz GNLDPDPVKXRPPR-TWGQIWQCSA-N -1 1 282.295 3.060 20 0 CGADMM CCC(CC)(CNC(=O)c1c([O-])cccc1F)SC ZINC000228856445 623081858 /nfs/dbraw/zinc/08/18/58/623081858.db2.gz JWEHJJQIMHETIO-UHFFFAOYSA-N -1 1 285.384 3.183 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1cccc(Cl)n1 ZINC000153637741 624008614 /nfs/dbraw/zinc/00/86/14/624008614.db2.gz YQWWSEYMWJRQRC-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM Cc1nc(S[C@@H](C)C2CC2)[n-]c(=O)c1C1CC1 ZINC000918462904 624348080 /nfs/dbraw/zinc/34/80/80/624348080.db2.gz JXNQDDKXAQMHCI-QMMMGPOBSA-N -1 1 250.367 3.259 20 0 CGADMM CC(C)C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000070266945 624994391 /nfs/dbraw/zinc/99/43/91/624994391.db2.gz QEASTDLUEMQXLM-LLVKDONJSA-N -1 1 259.271 3.452 20 0 CGADMM CC/C(C)=C\C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000838042210 626187039 /nfs/dbraw/zinc/18/70/39/626187039.db2.gz QQKGSUUUCXSSCF-LUAWRHEFSA-N -1 1 276.332 3.037 20 0 CGADMM O=C(NC[C@H]1CCCCS1)c1c([O-])cccc1Cl ZINC000752798920 626439963 /nfs/dbraw/zinc/43/99/63/626439963.db2.gz UHDLJXDYIKJZCS-SECBINFHSA-N -1 1 285.796 3.061 20 0 CGADMM CCCCCC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000754029087 626472680 /nfs/dbraw/zinc/47/26/80/626472680.db2.gz GRMJBGUFMFHIGH-UHFFFAOYSA-N -1 1 281.377 3.291 20 0 CGADMM Cc1cccc([C@@H](C)C(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000754713786 626583815 /nfs/dbraw/zinc/58/38/15/626583815.db2.gz JYHCXNYGPBBEAT-CYBMUJFWSA-N -1 1 287.334 3.486 20 0 CGADMM CC[C@H](C)Oc1cc(C)ccc1C[N-]C(=O)C(F)(F)F ZINC000756999249 626746465 /nfs/dbraw/zinc/74/64/65/626746465.db2.gz USJZFBBMIAQJLS-JTQLQIEISA-N -1 1 289.297 3.351 20 0 CGADMM CC(C)Cc1ccc(CCC(=O)[N-]OCC(F)F)cc1 ZINC000759323800 626887076 /nfs/dbraw/zinc/88/70/76/626887076.db2.gz NGNBDRJMWUMEAW-UHFFFAOYSA-N -1 1 285.334 3.131 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc(Cl)cs1 ZINC000760472417 626973098 /nfs/dbraw/zinc/97/30/98/626973098.db2.gz OFEMVENVIDJUOR-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM O=C([N-]c1nc(C2CC2)no1)c1ccc(F)c(Cl)c1F ZINC000761072665 627013002 /nfs/dbraw/zinc/01/30/02/627013002.db2.gz LDOUSJJTJWHGGN-UHFFFAOYSA-N -1 1 299.664 3.131 20 0 CGADMM CCC[C@@H](C)c1noc(-c2cc(NC(C)=O)ccc2[O-])n1 ZINC000761841678 627065600 /nfs/dbraw/zinc/06/56/00/627065600.db2.gz GYXMEHDWQBNGCU-SECBINFHSA-N -1 1 289.335 3.304 20 0 CGADMM O=C(NC1CCC(F)(F)CC1)c1c([O-])cccc1Cl ZINC000762316715 627105421 /nfs/dbraw/zinc/10/54/21/627105421.db2.gz ONSUZWYZJDNXQY-UHFFFAOYSA-N -1 1 289.709 3.353 20 0 CGADMM CCN(Cc1ccoc1)C(=O)c1c([O-])cccc1Cl ZINC000764095729 627194012 /nfs/dbraw/zinc/19/40/12/627194012.db2.gz YDRDTGGGTBXLQB-UHFFFAOYSA-N -1 1 279.723 3.301 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cc(Cl)[nH]n2)c([O-])c1 ZINC000765030111 627237070 /nfs/dbraw/zinc/23/70/70/627237070.db2.gz WGBQWUSTNSJHBZ-UHFFFAOYSA-N -1 1 279.727 3.144 20 0 CGADMM CCc1ccc([C@@H](C)CC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766768396 627359412 /nfs/dbraw/zinc/35/94/12/627359412.db2.gz LSZGAUGVZIHXJB-JTQLQIEISA-N -1 1 289.297 3.353 20 0 CGADMM Cc1cc(CCCC(=O)[N-]OCC(F)(F)F)c(C)s1 ZINC000766773385 627360031 /nfs/dbraw/zinc/36/00/31/627360031.db2.gz DKHFLGXFXJCXPZ-UHFFFAOYSA-N -1 1 295.326 3.298 20 0 CGADMM CC(C)(C(=O)[N-]O[C@@H]1CCCCO1)C1CCCCC1 ZINC000766850462 627364335 /nfs/dbraw/zinc/36/43/35/627364335.db2.gz KLQFSOKSPUUSEM-CYBMUJFWSA-N -1 1 269.385 3.167 20 0 CGADMM Cc1ccc(N(C)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000767935522 627444597 /nfs/dbraw/zinc/44/45/97/627444597.db2.gz RXNGEMFGTULBIM-UHFFFAOYSA-N -1 1 259.280 3.116 20 0 CGADMM CCC(CC)(CNC(=O)c1ccc([O-])c(F)c1)SC ZINC000768203066 627467843 /nfs/dbraw/zinc/46/78/43/627467843.db2.gz ZLWQLLYXXAUNKW-UHFFFAOYSA-N -1 1 285.384 3.183 20 0 CGADMM O=C(N[C@H]1CCCC(F)(F)C1)c1c([O-])cccc1Cl ZINC000768383370 627478051 /nfs/dbraw/zinc/47/80/51/627478051.db2.gz CAILNTKBTWQNNT-QMMMGPOBSA-N -1 1 289.709 3.353 20 0 CGADMM C[C@H](c1ccncc1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769728542 627574545 /nfs/dbraw/zinc/57/45/45/627574545.db2.gz QLSKWHHJVIXSIW-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM C[C@H]1CC[C@H](C)N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000769931981 627590211 /nfs/dbraw/zinc/59/02/11/627590211.db2.gz IDQFZALDDJOZNV-UWVGGRQHSA-N -1 1 267.756 3.306 20 0 CGADMM CSc1ccc(C(=O)[N-]c2nc(C(C)C)ns2)o1 ZINC000874694996 634593834 /nfs/dbraw/zinc/59/38/34/634593834.db2.gz GVZKGDYSANTLJH-UHFFFAOYSA-N -1 1 283.378 3.229 20 0 CGADMM CCCCC[C@@H](C)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000771934835 627746718 /nfs/dbraw/zinc/74/67/18/627746718.db2.gz BFRVXLBFPYTKCY-SECBINFHSA-N -1 1 290.454 3.007 20 0 CGADMM O=C(N[C@H]1CC12CCC2)c1ccc(C(F)(F)F)c([O-])c1 ZINC000874781431 634610771 /nfs/dbraw/zinc/61/07/71/634610771.db2.gz XTQKUWJZWPYRGA-NSHDSACASA-N -1 1 285.265 3.083 20 0 CGADMM COc1cc(C(=O)NC23CCC(CC2)C3)cc(Cl)c1[O-] ZINC000785421379 628860543 /nfs/dbraw/zinc/86/05/43/628860543.db2.gz CYIUJYUCPORBBC-UHFFFAOYSA-N -1 1 295.766 3.117 20 0 CGADMM Cc1cccc([C@@H](C)C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000790047607 629180033 /nfs/dbraw/zinc/18/00/33/629180033.db2.gz LZTNBFZYCNPOTH-SNVBAGLBSA-N -1 1 290.750 3.491 20 0 CGADMM C[C@]1(CNC(=O)c2c([O-])cccc2Cl)C[C@H]2C[C@H]2C1 ZINC000863123333 629479353 /nfs/dbraw/zinc/47/93/53/629479353.db2.gz FSOIRRGXMTUILG-RTUWITSCSA-N -1 1 279.767 3.212 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1ccccc1F ZINC000794855071 629589602 /nfs/dbraw/zinc/58/96/02/629589602.db2.gz VERSETGJGMCBJC-QWRGUYRKSA-N -1 1 253.317 3.023 20 0 CGADMM Cc1sc(C)c2c1[n-]c(CCC1CCOCC1)nc2=O ZINC000864356274 629818437 /nfs/dbraw/zinc/81/84/37/629818437.db2.gz SJNVGABAZNULOG-UHFFFAOYSA-N -1 1 292.404 3.373 20 0 CGADMM O=C(C[C@@H]1CCC(F)(F)C1)Nc1nc(Cl)ccc1[O-] ZINC000798000495 630013952 /nfs/dbraw/zinc/01/39/52/630013952.db2.gz WQNCNAXXFCZJFP-ZETCQYMHSA-N -1 1 290.697 3.205 20 0 CGADMM C[C@H]1CC(C)(C)CN1C(=O)c1c([O-])cccc1Cl ZINC000839876300 630159062 /nfs/dbraw/zinc/15/90/62/630159062.db2.gz CUFDMRATJGMCGK-VIFPVBQESA-N -1 1 267.756 3.306 20 0 CGADMM O=C(Cc1ccc(Cl)s1)[N-]OCc1ccccc1 ZINC000801082673 630323327 /nfs/dbraw/zinc/32/33/27/630323327.db2.gz DPNADCCBFHILIL-UHFFFAOYSA-N -1 1 281.764 3.192 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)c1 ZINC000811835987 631125433 /nfs/dbraw/zinc/12/54/33/631125433.db2.gz YRJBXLROTBQPDS-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM C[C@H](C(=O)[N-]OCCC1CC1)c1cccc(Cl)c1 ZINC000817437863 632156858 /nfs/dbraw/zinc/15/68/58/632156858.db2.gz UCJWQECFEXAQBM-JTQLQIEISA-N -1 1 267.756 3.291 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(F)=C2CCC2)c1 ZINC000821375999 632759282 /nfs/dbraw/zinc/75/92/82/632759282.db2.gz LCKGPWIVNLICSN-UHFFFAOYSA-N -1 1 292.306 3.088 20 0 CGADMM C/C(=C/CN(Cc1ccco1)Cc1ccccc1)C(=O)[O-] ZINC000825729586 633377812 /nfs/dbraw/zinc/37/78/12/633377812.db2.gz HBYIKTJPJZLBMJ-ZROIWOOFSA-N -1 1 285.343 3.313 20 0 CGADMM O=C(C[C@H]1CCCC1(F)F)[N-]Oc1ccccc1F ZINC000828985081 633675383 /nfs/dbraw/zinc/67/53/83/633675383.db2.gz OOSHBCKFUFEYLZ-SECBINFHSA-N -1 1 273.254 3.061 20 0 CGADMM C[C@H](C(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871214177 633728654 /nfs/dbraw/zinc/72/86/54/633728654.db2.gz DAMKJHPTDBLJJF-JTQLQIEISA-N -1 1 275.270 3.180 20 0 CGADMM C[C@H]([N-]C(=O)C(F)(F)F)c1cccc(C2CC2)c1 ZINC000833037392 634106333 /nfs/dbraw/zinc/10/63/33/634106333.db2.gz YEMOTDBAKKDTQV-QMMMGPOBSA-N -1 1 257.255 3.304 20 0 CGADMM C[C@@H](CC(=O)NCc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000834819548 634247036 /nfs/dbraw/zinc/24/70/36/634247036.db2.gz YWLJMFDCFXOAKX-ZETCQYMHSA-N -1 1 295.688 3.250 20 0 CGADMM C[C@@]1(C(=O)NCc2ccc([O-])c(Cl)c2)CC=CCC1 ZINC000834823383 634248683 /nfs/dbraw/zinc/24/86/83/634248683.db2.gz WTYOTSTZSVDUQC-OAHLLOKOSA-N -1 1 279.767 3.408 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)C1(C(F)(F)F)CC1 ZINC000834829120 634250843 /nfs/dbraw/zinc/25/08/43/634250843.db2.gz LCQVSNVMTWPORS-UHFFFAOYSA-N -1 1 293.672 3.004 20 0 CGADMM CCC(C)(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834828876 634250967 /nfs/dbraw/zinc/25/09/67/634250967.db2.gz CDAWVSZDIIAJGW-UHFFFAOYSA-N -1 1 255.745 3.098 20 0 CGADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)CC(C)(C)C ZINC000837229459 634875450 /nfs/dbraw/zinc/87/54/50/634875450.db2.gz ZTOUPQUHDZIXGS-SNVBAGLBSA-N -1 1 293.411 3.169 20 0 CGADMM Cc1cc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)c(C)o1 ZINC000841819278 635238886 /nfs/dbraw/zinc/23/88/86/635238886.db2.gz FRIJMAZEKYPZBE-UHFFFAOYSA-N -1 1 295.285 3.163 20 0 CGADMM Cc1nc(SCc2cnc(Cl)c(F)c2)[n-]c(=O)c1C ZINC000848433720 636576372 /nfs/dbraw/zinc/57/63/72/636576372.db2.gz DBHAJZKHHSIEOB-UHFFFAOYSA-N -1 1 299.758 3.279 20 0 CGADMM [O-]c1cccc(CNC2(c3ncccn3)CCC2)c1Cl ZINC000883306210 636659559 /nfs/dbraw/zinc/65/95/59/636659559.db2.gz QDMKAHINTDVUFU-UHFFFAOYSA-N -1 1 289.766 3.005 20 0 CGADMM CC[C@H](C)CC[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000849425991 636823104 /nfs/dbraw/zinc/82/31/04/636823104.db2.gz FQGYJEZTYAHUTK-NSHDSACASA-N -1 1 281.377 3.147 20 0 CGADMM O=C(C[C@H]1C=CCCC1)NCCc1c(F)cc([O-])cc1F ZINC000886266638 637473133 /nfs/dbraw/zinc/47/31/33/637473133.db2.gz SYFZZDMWKQYKFU-NSHDSACASA-N -1 1 295.329 3.076 20 0 CGADMM O=C(C[C@@H]1CC=CCC1)NCCc1c(F)cc([O-])cc1F ZINC000886271358 637476511 /nfs/dbraw/zinc/47/65/11/637476511.db2.gz GMUSADXNTJWISI-LLVKDONJSA-N -1 1 295.329 3.076 20 0 CGADMM CC(C)[C@@H]1CCc2[n-]n([C@H]3CCCSC3)c(=O)c2C1 ZINC000887299245 637792957 /nfs/dbraw/zinc/79/29/57/637792957.db2.gz TZIFKAPVIMHWKT-AGIUHOORSA-N -1 1 280.437 3.153 20 0 CGADMM O=C([N-]Oc1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000854537710 638068661 /nfs/dbraw/zinc/06/86/61/638068661.db2.gz ZIPCZIVAJTXVAG-VHSXEESVSA-N -1 1 273.254 3.075 20 0 CGADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1c1ccccc1 ZINC000923960157 638286298 /nfs/dbraw/zinc/28/62/98/638286298.db2.gz QDQXKAYYSLKBFY-BLLLJJGKSA-N -1 1 282.343 3.011 20 0 CGADMM Cc1nc([N-]C(=O)c2snc(Cl)c2Cl)cs1 ZINC000857476591 638509928 /nfs/dbraw/zinc/50/99/28/638509928.db2.gz PWPNHGMXKSCSDM-UHFFFAOYSA-N -1 1 294.188 3.467 20 0 CGADMM CCS(=O)(CC)=NC(=O)c1cc2sccc2c([O-])c1 ZINC000925878368 638640166 /nfs/dbraw/zinc/64/01/66/638640166.db2.gz FXRCTXQXNIZRRW-UHFFFAOYSA-N -1 1 297.401 3.255 20 0 CGADMM O=C(N=S1(=O)CCCC1)c1cc2sccc2c([O-])c1 ZINC000925908455 638652105 /nfs/dbraw/zinc/65/21/05/638652105.db2.gz NFEBDEPODZFAEV-UHFFFAOYSA-N -1 1 295.385 3.009 20 0 CGADMM CCCCC[C@@H]1CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858450155 638722975 /nfs/dbraw/zinc/72/29/75/638722975.db2.gz ADNQSHIICPBDGH-SNVBAGLBSA-N -1 1 269.776 3.385 20 0 CGADMM CC(C)(C)OC1CC(CCNc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858515518 638753221 /nfs/dbraw/zinc/75/32/21/638753221.db2.gz NGKHFTXYZLXIMJ-UHFFFAOYSA-N -1 1 299.802 3.231 20 0 CGADMM Cc1cccc([C@H]([N-]C(=O)C(F)(F)F)C(C)C)c1 ZINC000859350114 639131697 /nfs/dbraw/zinc/13/16/97/639131697.db2.gz KRTLWJOBAAJPKN-LLVKDONJSA-N -1 1 259.271 3.371 20 0 CGADMM CC[C@H]([N-]C(=O)C(F)(F)F)c1cc(C)ccc1C ZINC000859366249 639134236 /nfs/dbraw/zinc/13/42/36/639134236.db2.gz DNRHYVRSAHJFQU-NSHDSACASA-N -1 1 259.271 3.433 20 0 CGADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000935021361 639732616 /nfs/dbraw/zinc/73/26/16/639732616.db2.gz XKNPETVXTRYPOL-HZMBPMFUSA-N -1 1 297.782 3.435 20 0 CGADMM Cc1ccc(C)c(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000078775963 640340401 /nfs/dbraw/zinc/34/04/01/640340401.db2.gz VKMUAYNAHTXCDL-UHFFFAOYSA-N -1 1 299.374 3.071 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000082192559 640565029 /nfs/dbraw/zinc/56/50/29/640565029.db2.gz ZAOWFNODWQMWDA-UHFFFAOYSA-N -1 1 291.690 3.027 20 0 CGADMM Cc1ccc2c([O-])c(C(=O)N3CCCCCCC3)cnc2n1 ZINC000119402676 641041259 /nfs/dbraw/zinc/04/12/59/641041259.db2.gz MYDDYRJGCRDLKR-UHFFFAOYSA-N -1 1 299.374 3.050 20 0 CGADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCCCCCC1)c2=O ZINC000119402676 641041264 /nfs/dbraw/zinc/04/12/64/641041264.db2.gz MYDDYRJGCRDLKR-UHFFFAOYSA-N -1 1 299.374 3.050 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc(C(F)(F)F)n2)c1F ZINC001250462754 805631632 /nfs/dbraw/zinc/63/16/32/805631632.db2.gz ISOJNXFKHKVCTQ-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1ccccn1 ZINC001250513492 805666367 /nfs/dbraw/zinc/66/63/67/805666367.db2.gz DZONPTHNYCWEQI-UHFFFAOYSA-N -1 1 255.195 3.353 20 0 CGADMM [O-]c1c(F)ccc(F)c1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001250802013 805777664 /nfs/dbraw/zinc/77/76/64/805777664.db2.gz HLFVDGDTOQZZBY-UHFFFAOYSA-N -1 1 288.253 3.149 20 0 CGADMM [O-]c1ccc(-c2nc3cc(F)ccc3[nH]2)c(F)c1F ZINC001250913123 805797764 /nfs/dbraw/zinc/79/77/64/805797764.db2.gz UQXZLPCTGWHKDR-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM Cc1cc2nc(-c3cc(C(=O)[O-])ccc3O)[nH]c2c(C)c1 ZINC001251024091 805831201 /nfs/dbraw/zinc/83/12/01/805831201.db2.gz YFRPLHJMVRUNAJ-UHFFFAOYSA-N -1 1 282.299 3.251 20 0 CGADMM Cc1cc(F)cc2[nH]c(-c3ccc(C(=O)[O-])s3)nc21 ZINC001251015607 805829971 /nfs/dbraw/zinc/82/99/71/805829971.db2.gz UXCQMGLZXXQSIO-UHFFFAOYSA-N -1 1 276.292 3.437 20 0 CGADMM COc1cc2nc(C3OC=CC3=S)[n-]c2cc1OC ZINC001251551516 805906871 /nfs/dbraw/zinc/90/68/71/805906871.db2.gz XCFXWPJDKGWXEL-UHFFFAOYSA-N -1 1 276.317 3.129 20 0 CGADMM [O-]c1cc(F)cc(-c2nnc(Cc3ccc(F)cc3)o2)c1 ZINC001251929457 805954593 /nfs/dbraw/zinc/95/45/93/805954593.db2.gz CLNFUVJNDDNIBS-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)C(C)C ZINC001252529179 806057220 /nfs/dbraw/zinc/05/72/20/806057220.db2.gz GNAZBXJBADLPTB-UHFFFAOYSA-N -1 1 298.191 3.152 20 0 CGADMM CCOc1ccc(C(=O)[O-])cc1Nc1ccc2c[nH]nc2c1 ZINC001159662789 806144141 /nfs/dbraw/zinc/14/41/41/806144141.db2.gz FAVMPCYGVPPHEV-UHFFFAOYSA-N -1 1 297.314 3.403 20 0 CGADMM COc1cccc([O-])c1-c1nnc(-c2ccccc2)o1 ZINC001253047219 806157387 /nfs/dbraw/zinc/15/73/87/806157387.db2.gz LCQHAMAIOBNWRN-UHFFFAOYSA-N -1 1 268.272 3.118 20 0 CGADMM CCS(=O)(=O)[N-]c1cc(-c2ccccc2)cs1 ZINC001253284955 806201612 /nfs/dbraw/zinc/20/16/12/806201612.db2.gz WHCZLNDGYDAYRG-UHFFFAOYSA-N -1 1 267.375 3.177 20 0 CGADMM Cc1cc(NC(=O)c2ccc([O-])cn2)ccc1C(F)(F)F ZINC001160556254 806283044 /nfs/dbraw/zinc/28/30/44/806283044.db2.gz NLLVBJJEROKNRI-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM CCCCS(=O)(=O)[N-]c1c(C)ccc2cccnc21 ZINC001253849571 806316231 /nfs/dbraw/zinc/31/62/31/806316231.db2.gz YQPVYPAKEBUPCQ-UHFFFAOYSA-N -1 1 278.377 3.085 20 0 CGADMM CCc1cccc(C(=O)Nc2cc([O-])c(F)cc2F)c1O ZINC001160916837 806320793 /nfs/dbraw/zinc/32/07/93/806320793.db2.gz NOWXPNSGBXBXDF-UHFFFAOYSA-N -1 1 293.269 3.191 20 0 CGADMM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001161141975 806353220 /nfs/dbraw/zinc/35/32/20/806353220.db2.gz JYFCURUZHFONGO-CRAIPNDOSA-N -1 1 299.370 3.415 20 0 CGADMM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC001255661541 806696893 /nfs/dbraw/zinc/69/68/93/806696893.db2.gz MZWLRTVMXSTALA-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Cc1ccc([C@@H](C)CNC(=O)c2ccc([O-])cc2F)cc1 ZINC000163890386 799083535 /nfs/dbraw/zinc/08/35/35/799083535.db2.gz QLYQKCORUIYODD-LBPRGKRZSA-N -1 1 287.334 3.373 20 0 CGADMM C=C(C)C[C@H](C)C(=O)Nc1nc(Br)ccc1[O-] ZINC000189978863 799122935 /nfs/dbraw/zinc/12/29/35/799122935.db2.gz PTLCFFLDORKAKE-QMMMGPOBSA-N -1 1 299.168 3.091 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](C(F)(F)F)C1 ZINC000382155447 799394195 /nfs/dbraw/zinc/39/41/95/799394195.db2.gz KOVFAVZLYNWTKT-ZETCQYMHSA-N -1 1 293.672 3.070 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000393455432 799487773 /nfs/dbraw/zinc/48/77/73/799487773.db2.gz IJLZYCJGLOQCSX-CABZTGNLSA-N -1 1 265.740 3.060 20 0 CGADMM CC(C)c1ocnc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000809470005 800439240 /nfs/dbraw/zinc/43/92/40/800439240.db2.gz RLOLEIARUJRYRI-UHFFFAOYSA-N -1 1 289.266 3.360 20 0 CGADMM CC(C)Cc1nnc(-c2ccc([O-])cc2Br)o1 ZINC001256512946 806908274 /nfs/dbraw/zinc/90/82/74/806908274.db2.gz ZOFKDUKEORDTOF-UHFFFAOYSA-N -1 1 297.152 3.403 20 0 CGADMM C[C@@H]1C[C@@H]1c1nnc(-c2ccc([O-])cc2Cl)o1 ZINC001256625790 806929941 /nfs/dbraw/zinc/92/99/41/806929941.db2.gz NOKFEYIXHFVSKL-MUWHJKNJSA-N -1 1 250.685 3.219 20 0 CGADMM COc1cc(-c2nnc([C@@H]3C[C@@H]3C)o2)cc(Cl)c1[O-] ZINC001256765732 806974321 /nfs/dbraw/zinc/97/43/21/806974321.db2.gz ZHTBHRVHJOHXTB-POYBYMJQSA-N -1 1 280.711 3.228 20 0 CGADMM CC(C)(C)OCC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001180323434 809992456 /nfs/dbraw/zinc/99/24/56/809992456.db2.gz OGGBGHFUTKIKQN-UHFFFAOYSA-N -1 1 291.269 3.165 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1csc(Cl)n1 ZINC001120771626 802775774 /nfs/dbraw/zinc/77/57/74/802775774.db2.gz BNNIJHHUHLCSST-UHFFFAOYSA-N -1 1 271.729 3.160 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1nc(C2CC2)cs1 ZINC001123909987 802981302 /nfs/dbraw/zinc/98/13/02/802981302.db2.gz CCFGXPTXLZOWGD-UHFFFAOYSA-N -1 1 277.349 3.384 20 0 CGADMM O=c1ccc2cc(-c3cc(F)c([O-])c(F)c3)ccc2o1 ZINC001244094455 803182362 /nfs/dbraw/zinc/18/23/62/803182362.db2.gz SBBXFKQROBPSHV-UHFFFAOYSA-N -1 1 274.222 3.444 20 0 CGADMM CCOc1cc(-c2cc(F)c([O-])c(F)c2)ccn1 ZINC001244096720 803184238 /nfs/dbraw/zinc/18/42/38/803184238.db2.gz LKDKJRDNUAKUPN-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)c([O-])c(F)c2)c(C)c1 ZINC001244097436 803185174 /nfs/dbraw/zinc/18/51/74/803185174.db2.gz URHDXWRHRQHAPO-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM CSc1cc(F)ccc1[N-]C(=O)c1cc(C)no1 ZINC001130291182 803278132 /nfs/dbraw/zinc/27/81/32/803278132.db2.gz XJVNBHSJKHRLEN-UHFFFAOYSA-N -1 1 266.297 3.096 20 0 CGADMM Cc1cc2c(c(-c3ccc4sccc4c3)n1)C(=O)[N-]C2=O ZINC001244302100 803286625 /nfs/dbraw/zinc/28/66/25/803286625.db2.gz YKNWPRBMRNPGIA-UHFFFAOYSA-N -1 1 294.335 3.155 20 0 CGADMM Cc1ccc([O-])c(-c2ncc(C)c(NC3CC3)n2)c1 ZINC001244401804 803350202 /nfs/dbraw/zinc/35/02/02/803350202.db2.gz KEPORJWKYKLZCD-UHFFFAOYSA-N -1 1 255.321 3.040 20 0 CGADMM Cc1ccc([O-])c(-c2ncc(C)c(N3CCCC3)n2)c1 ZINC001244402692 803351623 /nfs/dbraw/zinc/35/16/23/803351623.db2.gz ZZASIXPBUJXIDH-UHFFFAOYSA-N -1 1 269.348 3.066 20 0 CGADMM Cc1cnc(C)c(-c2ccc(OC(F)(F)F)cc2[O-])n1 ZINC001244463057 803380791 /nfs/dbraw/zinc/38/07/91/803380791.db2.gz DJSYHEHGORNAFQ-UHFFFAOYSA-N -1 1 284.237 3.365 20 0 CGADMM Cc1cc(-c2ncnc3[nH]cc(F)c32)cc(Cl)c1[O-] ZINC001244529577 803421557 /nfs/dbraw/zinc/42/15/57/803421557.db2.gz CNSYRRPWCYRLSF-UHFFFAOYSA-N -1 1 277.686 3.383 20 0 CGADMM CC(=O)Nc1ccnc(-c2cc(C)c([O-])c(Cl)c2)c1 ZINC001244531222 803422002 /nfs/dbraw/zinc/42/20/02/803422002.db2.gz WUBHHUBGEZWXEE-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM Cc1cc(-c2ncc3cccnc3n2)cc(Cl)c1[O-] ZINC001244531718 803422925 /nfs/dbraw/zinc/42/29/25/803422925.db2.gz PMDVTAVGKOTGFJ-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM Cc1cc(-c2ccc3c(n2)COC3)cc(Cl)c1[O-] ZINC001244537180 803423692 /nfs/dbraw/zinc/42/36/92/803423692.db2.gz XEAJIXRKTGGQJY-UHFFFAOYSA-N -1 1 261.708 3.446 20 0 CGADMM [O-]c1ccc(Cl)c(-c2nccc3nccnc32)c1F ZINC001244538968 803426422 /nfs/dbraw/zinc/42/64/22/803426422.db2.gz SRXCNAGWYPBKQE-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM Cn1cnc2cnc(-c3c(Cl)ccc([O-])c3F)cc21 ZINC001244539402 803427191 /nfs/dbraw/zinc/42/71/91/803427191.db2.gz ZXBPOHFDKBBHBD-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cccn3ccnc23)c1F ZINC001244540497 803428141 /nfs/dbraw/zinc/42/81/41/803428141.db2.gz XCEJPAQHKPWWKA-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM CCOc1cc(-c2c(Cl)ccc([O-])c2F)nc(C)n1 ZINC001244541204 803429311 /nfs/dbraw/zinc/42/93/11/803429311.db2.gz ZWLXBHWEJKAACA-UHFFFAOYSA-N -1 1 282.702 3.349 20 0 CGADMM CNC(=O)Cc1ccc(-c2c(Cl)ccc([O-])c2F)cc1 ZINC001244541591 803429977 /nfs/dbraw/zinc/42/99/77/803429977.db2.gz DBDBYNVALSXWQH-UHFFFAOYSA-N -1 1 293.725 3.140 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCc1cccs1 ZINC001135283471 803584800 /nfs/dbraw/zinc/58/48/00/803584800.db2.gz AZOQYNKZPJKCGG-UHFFFAOYSA-N -1 1 295.791 3.009 20 0 CGADMM COC1(CNC(=O)c2cc(Cl)ccc2[O-])CCCCC1 ZINC001138399876 803917135 /nfs/dbraw/zinc/91/71/35/803917135.db2.gz IMSOOCIOPICQRO-UHFFFAOYSA-N -1 1 297.782 3.125 20 0 CGADMM Cc1ncc([N-]c2nc3c(s2)C(=O)CCC3)s1 ZINC001212126432 814979910 /nfs/dbraw/zinc/97/99/10/814979910.db2.gz XXLVSEJMBHRJLK-UHFFFAOYSA-N -1 1 265.363 3.171 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1cccc2cc[nH]c21 ZINC001138613459 803979925 /nfs/dbraw/zinc/97/99/25/803979925.db2.gz UGZIUOFYTHJOHT-UHFFFAOYSA-N -1 1 282.299 3.134 20 0 CGADMM COCOc1ccc(-c2c(F)ccc([O-])c2Cl)nc1 ZINC001245828170 803982624 /nfs/dbraw/zinc/98/26/24/803982624.db2.gz PVGVFFGUZFQGHK-UHFFFAOYSA-N -1 1 283.686 3.229 20 0 CGADMM [O-]c1ccc(F)c(-c2nccnc2OC(F)F)c1Cl ZINC001245830011 803985306 /nfs/dbraw/zinc/98/53/06/803985306.db2.gz GWTZNDPVKHGVAH-UHFFFAOYSA-N -1 1 290.628 3.243 20 0 CGADMM O=C1NCc2c(cccc2-c2c(F)ccc([O-])c2Cl)N1 ZINC001245835516 803988290 /nfs/dbraw/zinc/98/82/90/803988290.db2.gz QTSMEVDSCMVCQC-UHFFFAOYSA-N -1 1 292.697 3.487 20 0 CGADMM Cc1ccc(-c2cc(=O)n(-c3ccccc3C(=O)[O-])[nH]2)cc1 ZINC001245918753 804047899 /nfs/dbraw/zinc/04/78/99/804047899.db2.gz AGMBTBILAJMEQW-UHFFFAOYSA-N -1 1 294.310 3.252 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1coc(C(F)F)c1 ZINC001140656837 804484265 /nfs/dbraw/zinc/48/42/65/804484265.db2.gz FKTMYKVERWPZGI-UHFFFAOYSA-N -1 1 289.184 3.453 20 0 CGADMM [O-]c1ccc(CN2CCC[C@@H](F)C(F)(F)C2)c(F)c1F ZINC001140889934 804542282 /nfs/dbraw/zinc/54/22/82/804542282.db2.gz QPKQCIOJGWKFCJ-SNVBAGLBSA-N -1 1 295.251 3.240 20 0 CGADMM COc1cccc2c1CN(Cc1ccc([O-])c(F)c1F)C2 ZINC001140892200 804543346 /nfs/dbraw/zinc/54/33/46/804543346.db2.gz FDGFEROIOBUIKM-UHFFFAOYSA-N -1 1 291.297 3.195 20 0 CGADMM [O-]c1ccc(CN2CCC[C@H](C(F)(F)F)C2)c(F)c1F ZINC001140890767 804543433 /nfs/dbraw/zinc/54/34/33/804543433.db2.gz LCWLHWLRYNEKQL-VIFPVBQESA-N -1 1 295.251 3.445 20 0 CGADMM Cc1cocc1C(=O)Nc1cccc([O-])c1Br ZINC001141222205 804612310 /nfs/dbraw/zinc/61/23/10/804612310.db2.gz OKFJWWZNYLVUFM-UHFFFAOYSA-N -1 1 296.120 3.308 20 0 CGADMM CC(C)(C)CNC(=S)Nc1cc([O-])c(F)cc1F ZINC001247973654 804861249 /nfs/dbraw/zinc/86/12/49/804861249.db2.gz LGILGUDXXYBDAB-UHFFFAOYSA-N -1 1 274.336 3.003 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@@H](CF)C(F)(F)C2)cc1F ZINC001144647182 805021521 /nfs/dbraw/zinc/02/15/21/805021521.db2.gz BTVZIRSHNWQQHV-VIFPVBQESA-N -1 1 295.251 3.097 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC001144665481 805026533 /nfs/dbraw/zinc/02/65/33/805026533.db2.gz BDHVWRNZYUYQAN-SECBINFHSA-N -1 1 295.251 3.445 20 0 CGADMM O=Cc1cc(C(=O)Nc2c([O-])cccc2F)c(Cl)s1 ZINC001146491396 805069394 /nfs/dbraw/zinc/06/93/94/805069394.db2.gz AVXMVRJJFGSUQX-UHFFFAOYSA-N -1 1 299.710 3.311 20 0 CGADMM C[C@H]1CCCC[C@@H]1CCNC(=O)c1c([O-])cccc1F ZINC001146709999 805081764 /nfs/dbraw/zinc/08/17/64/805081764.db2.gz LNWKNXIVPQYVEU-NWDGAFQWSA-N -1 1 279.355 3.478 20 0 CGADMM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ncc2ccccc2c1[O-] ZINC001148636467 805202928 /nfs/dbraw/zinc/20/29/28/805202928.db2.gz IKUSJVOWNJABAY-BZPMIXESSA-N -1 1 296.370 3.106 20 0 CGADMM Cn1ncc2cc(Nc3cc([O-])c(Cl)cc3F)cnc21 ZINC001249664711 805206158 /nfs/dbraw/zinc/20/61/58/805206158.db2.gz NOZAIKNAGHCCQZ-UHFFFAOYSA-N -1 1 292.701 3.210 20 0 CGADMM C[C@H]1CCN1C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148866577 805212516 /nfs/dbraw/zinc/21/25/16/805212516.db2.gz BHAKKWGHEWSLJZ-LBPRGKRZSA-N -1 1 267.328 3.294 20 0 CGADMM CN(Cc1cc2ccccc2[nH]1)C(=O)c1ccc([O-])cc1F ZINC001148899644 805215114 /nfs/dbraw/zinc/21/51/14/805215114.db2.gz YYLZCZBMJVCDSP-UHFFFAOYSA-N -1 1 298.317 3.285 20 0 CGADMM CN(C[C@H]1CC1(C)C)C(=O)c1cc2cccc(O)c2cc1[O-] ZINC001149646559 805240515 /nfs/dbraw/zinc/24/05/15/805240515.db2.gz OHUTVDAQPPFJBL-GFCCVEGCSA-N -1 1 299.370 3.369 20 0 CGADMM COc1ccccc1C(=O)Cc1ccc([O-])c(F)c1F ZINC001249892268 805283926 /nfs/dbraw/zinc/28/39/26/805283926.db2.gz YDQIUWLEBBMNRX-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM [O-]c1cc(Nc2cc(F)nc(F)c2F)c(F)c(F)c1F ZINC001249960506 805326682 /nfs/dbraw/zinc/32/66/82/805326682.db2.gz LFQLDTYZRYSIPU-UHFFFAOYSA-N -1 1 294.154 3.365 20 0 CGADMM COc1cc(F)ncc1Nc1cc([O-])c(F)c(F)c1F ZINC001249961832 805328952 /nfs/dbraw/zinc/32/89/52/805328952.db2.gz WSPLTWFINYWEON-UHFFFAOYSA-N -1 1 288.200 3.096 20 0 CGADMM [O-]c1cc(Nc2c(O)cccc2F)c(F)c(F)c1F ZINC001249963444 805331425 /nfs/dbraw/zinc/33/14/25/805331425.db2.gz WVGZWMLAADSCCL-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM COc1cc(O)ccc1Nc1cc([O-])c(F)c(F)c1F ZINC001249965603 805332308 /nfs/dbraw/zinc/33/23/08/805332308.db2.gz CIADNKAXYHYZET-UHFFFAOYSA-N -1 1 285.221 3.267 20 0 CGADMM Cc1cncnc1Nc1cc(Cl)c([O-])cc1F ZINC001250022018 805373279 /nfs/dbraw/zinc/37/32/79/805373279.db2.gz COGDPORZDMMUEI-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM [O-]c1cc(F)c(Nc2ccnn2CCF)cc1Cl ZINC001250023698 805374538 /nfs/dbraw/zinc/37/45/38/805374538.db2.gz WIZKWWRUWXNUGM-UHFFFAOYSA-N -1 1 273.670 3.094 20 0 CGADMM CC(=O)Nc1cncc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250023532 805374681 /nfs/dbraw/zinc/37/46/81/805374681.db2.gz NPSCTNBMUVUCHJ-UHFFFAOYSA-N -1 1 295.701 3.282 20 0 CGADMM CSc1ncc(Nc2cc(Cl)c([O-])cc2F)cn1 ZINC001250023533 805375362 /nfs/dbraw/zinc/37/53/62/805375362.db2.gz NRDPQONUTJPZTI-UHFFFAOYSA-N -1 1 285.731 3.440 20 0 CGADMM CC(C)(NC(=O)c1c([O-])ccc2ccccc21)C1CC1 ZINC001153504832 805399437 /nfs/dbraw/zinc/39/94/37/805399437.db2.gz OHXUJFLUILQCLL-UHFFFAOYSA-N -1 1 269.344 3.464 20 0 CGADMM CCc1nccnc1NC(=O)c1c([O-])ccc2ccccc21 ZINC001153499605 805399881 /nfs/dbraw/zinc/39/98/81/805399881.db2.gz ZKHOZMNYUZQFDC-UHFFFAOYSA-N -1 1 293.326 3.150 20 0 CGADMM O=C(Nc1ccc[nH]c1=S)c1c([O-])ccc2ccccc21 ZINC001153498669 805400471 /nfs/dbraw/zinc/40/04/71/805400471.db2.gz ISAKSHDQBOAWON-UHFFFAOYSA-N -1 1 296.351 3.481 20 0 CGADMM O=C(N[C@@H]1CCCc2sccc21)c1cccc([O-])c1F ZINC001153651283 805409457 /nfs/dbraw/zinc/40/94/57/805409457.db2.gz OUPVRZDTFGLIEZ-LLVKDONJSA-N -1 1 291.347 3.400 20 0 CGADMM Cc1cc(F)c([N-]c2ncn(C)n2)c(Cl)c1Cl ZINC001250107453 805420339 /nfs/dbraw/zinc/42/03/39/805420339.db2.gz VBCLVEZPAARIIP-UHFFFAOYSA-N -1 1 275.114 3.313 20 0 CGADMM COc1cc(C)c(NC(=O)c2ccc(F)c([O-])c2)cc1F ZINC001154545287 805463903 /nfs/dbraw/zinc/46/39/03/805463903.db2.gz UQRSSHBAZVUEOE-UHFFFAOYSA-N -1 1 293.269 3.240 20 0 CGADMM COC(=O)c1cccc(Cc2ccc([O-])c(F)c2F)c1 ZINC001250192245 805480571 /nfs/dbraw/zinc/48/05/71/805480571.db2.gz IEWKCRDCNBMINN-UHFFFAOYSA-N -1 1 278.254 3.048 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N[C@H](C)C(C)C)cc2c1 ZINC001154744348 805481286 /nfs/dbraw/zinc/48/12/86/805481286.db2.gz MMTDXLRKZISVNP-LLVKDONJSA-N -1 1 287.359 3.328 20 0 CGADMM Nc1ccccc1C(=S)Nc1ccc(Cl)c([O-])c1 ZINC001212593264 815080056 /nfs/dbraw/zinc/08/00/56/815080056.db2.gz IDPJHWWGSGLQDG-UHFFFAOYSA-N -1 1 278.764 3.415 20 0 CGADMM NC(=O)c1ccsc1Nc1c(F)ccc([O-])c1Cl ZINC001250228034 805504773 /nfs/dbraw/zinc/50/47/73/805504773.db2.gz IBRGRKSLXLXLLY-UHFFFAOYSA-N -1 1 286.715 3.089 20 0 CGADMM [O-]c1ccc(F)c(Nc2c(F)cncc2F)c1Cl ZINC001250228115 805505361 /nfs/dbraw/zinc/50/53/61/805505361.db2.gz MATODEFNQGQWER-UHFFFAOYSA-N -1 1 274.629 3.023 20 0 CGADMM COCCn1nc(C)cc1Nc1c(F)ccc([O-])c1Cl ZINC001250229471 805506563 /nfs/dbraw/zinc/50/65/63/805506563.db2.gz JUJVXMXUKICQNH-UHFFFAOYSA-N -1 1 299.733 3.080 20 0 CGADMM Cc1ccc(CCNC(=O)c2cccc([O-])c2F)cc1C ZINC001165853574 807023047 /nfs/dbraw/zinc/02/30/47/807023047.db2.gz ANODKLGTTUFCGK-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM Cc1nc(NC(=O)c2cc3ccccc3cc2[O-])oc1C ZINC001167297071 807177599 /nfs/dbraw/zinc/17/75/99/807177599.db2.gz ITMKZAVXSTXLPT-UHFFFAOYSA-N -1 1 282.299 3.403 20 0 CGADMM O=C(NCC1=CCCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001167342549 807184652 /nfs/dbraw/zinc/18/46/52/807184652.db2.gz SXVXTUPBTCUPDE-UHFFFAOYSA-N -1 1 283.327 3.091 20 0 CGADMM O=S(=O)([N-]C1CC=CC1)c1cc(Cl)c(Cl)s1 ZINC001257508508 807185336 /nfs/dbraw/zinc/18/53/36/807185336.db2.gz QDZUORVQZASAGK-UHFFFAOYSA-N -1 1 298.216 3.052 20 0 CGADMM Cc1[nH+]c(N)ccc1CNc1cc([S-])cc([S-])c1 ZINC001167786939 807251532 /nfs/dbraw/zinc/25/15/32/807251532.db2.gz KXEJZUGAXQVNAJ-UHFFFAOYSA-N -1 1 277.418 3.162 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2ccc3ccncc3c2)no1 ZINC001212721341 815113708 /nfs/dbraw/zinc/11/37/08/815113708.db2.gz LGDILHWAKVSQAG-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2cc(F)cc(Cl)c2)no1 ZINC001212721251 815113968 /nfs/dbraw/zinc/11/39/68/815113968.db2.gz GEAWRBWLYBYORZ-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM CC(C)Oc1cccc(-c2noc(-c3ccncc3[O-])n2)c1 ZINC001212721466 815114041 /nfs/dbraw/zinc/11/40/41/815114041.db2.gz RWXYZVCRSAJQSP-UHFFFAOYSA-N -1 1 297.314 3.291 20 0 CGADMM CCc1cccc(-c2noc(-c3ccncc3[O-])n2)c1 ZINC001212721293 815114276 /nfs/dbraw/zinc/11/42/76/815114276.db2.gz IODHIXPVSZNZNB-UHFFFAOYSA-N -1 1 267.288 3.067 20 0 CGADMM FC(F)(F)c1c[n-]c(-c2nnc(CC3CCCC3)o2)n1 ZINC001258666261 807533872 /nfs/dbraw/zinc/53/38/72/807533872.db2.gz YFLHISNZXAYECQ-UHFFFAOYSA-N -1 1 286.257 3.211 20 0 CGADMM FC(F)(F)c1cnc(-c2nnc(CC3CCCC3)o2)[n-]1 ZINC001258666261 807533880 /nfs/dbraw/zinc/53/38/80/807533880.db2.gz YFLHISNZXAYECQ-UHFFFAOYSA-N -1 1 286.257 3.211 20 0 CGADMM COc1ccccc1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259612973 807681780 /nfs/dbraw/zinc/68/17/80/807681780.db2.gz NDEANHBQVRBUDN-UHFFFAOYSA-N -1 1 283.393 3.017 20 0 CGADMM CC[C@H](C)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001260739290 807702479 /nfs/dbraw/zinc/70/24/79/807702479.db2.gz HJNYUMYEYMAENO-LURJTMIESA-N -1 1 298.191 3.239 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC001260724536 807700290 /nfs/dbraw/zinc/70/02/90/807700290.db2.gz KHVVFKZRDWMLEM-LBPRGKRZSA-N -1 1 290.388 3.289 20 0 CGADMM CC[C@@H](C)n1nccc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001263843290 808011047 /nfs/dbraw/zinc/01/10/47/808011047.db2.gz UPYBEBRISRIIFE-MRVPVSSYSA-N -1 1 295.289 3.090 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc2c(c1)OCCO2 ZINC001173880277 808735592 /nfs/dbraw/zinc/73/55/92/808735592.db2.gz LKIXDIMLMCEOFU-UHFFFAOYSA-N -1 1 279.242 3.185 20 0 CGADMM CC(=O)c1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001173894788 808747719 /nfs/dbraw/zinc/74/77/19/808747719.db2.gz DPFLPKAETZPJJB-UHFFFAOYSA-N -1 1 262.696 3.387 20 0 CGADMM O=S(=O)([O-])c1ccc(NC2=CCCC2)c(Cl)c1 ZINC001173998177 808812578 /nfs/dbraw/zinc/81/25/78/808812578.db2.gz KNQDVAMEJYQOTH-UHFFFAOYSA-N -1 1 273.741 3.066 20 0 CGADMM CSc1nc(Nc2cccc(OC(C)C)c2)cc(=O)[n-]1 ZINC001174113212 808873192 /nfs/dbraw/zinc/87/31/92/808873192.db2.gz ZCJRKASMHRMAOL-UHFFFAOYSA-N -1 1 291.376 3.435 20 0 CGADMM Cn1cc(Nc2c(Cl)ccc([O-])c2Cl)ccc1=O ZINC001174359007 808973857 /nfs/dbraw/zinc/97/38/57/808973857.db2.gz BVMFCIYSNUZIFS-UHFFFAOYSA-N -1 1 285.130 3.141 20 0 CGADMM Nc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(F)c1 ZINC001174483640 809038859 /nfs/dbraw/zinc/03/88/59/809038859.db2.gz MUJCRZNJLRZRMI-UHFFFAOYSA-N -1 1 284.294 3.043 20 0 CGADMM CCc1ccc(-c2noc(-c3nccc(OC)c3[O-])n2)cc1 ZINC001213326455 815265161 /nfs/dbraw/zinc/26/51/61/815265161.db2.gz PKCLKKGBGPIOCY-UHFFFAOYSA-N -1 1 297.314 3.075 20 0 CGADMM CN(C)c1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001174965985 809219956 /nfs/dbraw/zinc/21/99/56/809219956.db2.gz FTNSPHPXCKJXJJ-UHFFFAOYSA-N -1 1 294.358 3.388 20 0 CGADMM COc1cccc(N)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213386486 815274684 /nfs/dbraw/zinc/27/46/84/815274684.db2.gz FVJTWTBECNRIRM-UHFFFAOYSA-N -1 1 266.247 3.005 20 0 CGADMM CCOc1cccc(Nc2cc(=O)[n-]c(SC)n2)c1 ZINC001175091710 809265621 /nfs/dbraw/zinc/26/56/21/809265621.db2.gz DPJRPIBWKOGABY-UHFFFAOYSA-N -1 1 277.349 3.046 20 0 CGADMM CC(=O)c1cc(Nc2c(F)cc([O-])cc2F)ccc1O ZINC001175097647 809269930 /nfs/dbraw/zinc/26/99/30/809269930.db2.gz RLXBFWXJXINFQW-UHFFFAOYSA-N -1 1 279.242 3.322 20 0 CGADMM CC(=O)c1ccccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001175175943 809298148 /nfs/dbraw/zinc/29/81/48/809298148.db2.gz ATVXCZVXSYYELJ-UHFFFAOYSA-N -1 1 295.294 3.445 20 0 CGADMM CSc1cccc(-n2[n-]c(=O)c3ccc(N)cc32)c1 ZINC001175285667 809338706 /nfs/dbraw/zinc/33/87/06/809338706.db2.gz YIGSOTZFWUIEMG-UHFFFAOYSA-N -1 1 271.345 3.035 20 0 CGADMM CSc1cccc(Nc2cc(=O)[n-]c(SC)n2)c1 ZINC001175288582 809340488 /nfs/dbraw/zinc/34/04/88/809340488.db2.gz HHKMHWKJCYNFBL-UHFFFAOYSA-N -1 1 279.390 3.370 20 0 CGADMM [O-]c1cc(F)cnc1Nc1c(F)c(F)c(F)c(F)c1F ZINC001175383123 809385532 /nfs/dbraw/zinc/38/55/32/809385532.db2.gz NLLJBSASDVJQBZ-UHFFFAOYSA-N -1 1 294.154 3.365 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccccc1F ZINC001290083649 809401242 /nfs/dbraw/zinc/40/12/42/809401242.db2.gz LJENMBUVWCSJOM-UHFFFAOYSA-N -1 1 279.698 3.366 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](C)c2ccccc2)c1 ZINC001290115404 809402658 /nfs/dbraw/zinc/40/26/58/809402658.db2.gz PWMMSGOLYBKFHO-LBPRGKRZSA-N -1 1 283.327 3.004 20 0 CGADMM Cn1ncc2c1cccc2Nc1cc([O-])c(F)c(F)c1 ZINC001175437823 809405110 /nfs/dbraw/zinc/40/51/10/809405110.db2.gz KSBMKUPPAURYLL-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CCC[C@@H]1C1CCCC1 ZINC001291906175 809424322 /nfs/dbraw/zinc/42/43/22/809424322.db2.gz XKDRQUDBKHAGLU-CYBMUJFWSA-N -1 1 277.339 3.326 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCCc2sccc2C1 ZINC001293090268 809442457 /nfs/dbraw/zinc/44/24/57/809442457.db2.gz LULBYHLMNAMDIH-UHFFFAOYSA-N -1 1 291.347 3.181 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cccc2c[nH]nc21 ZINC001175636728 809483799 /nfs/dbraw/zinc/48/37/99/809483799.db2.gz GHNOCTMTDIUWHE-UHFFFAOYSA-N -1 1 260.684 3.061 20 0 CGADMM Cc1cc(F)cc(C(=O)Nc2ccc([O-])c(Cl)c2)c1N ZINC001295295266 809484784 /nfs/dbraw/zinc/48/47/84/809484784.db2.gz JVXVGNSRXZXCOG-UHFFFAOYSA-N -1 1 294.713 3.328 20 0 CGADMM Cc1cc(C)nc(NC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC001295284896 809484848 /nfs/dbraw/zinc/48/48/48/809484848.db2.gz YOCVMRCXNVMQDN-UHFFFAOYSA-N -1 1 290.750 3.239 20 0 CGADMM CSc1ccc(Nc2ccnc(Cl)c2[O-])cn1 ZINC001175654696 809491845 /nfs/dbraw/zinc/49/18/45/809491845.db2.gz POAMQQXQCNNIOM-UHFFFAOYSA-N -1 1 267.741 3.301 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)c2ccc(Cl)s2)c([O-])c1 ZINC001295785439 809493092 /nfs/dbraw/zinc/49/30/92/809493092.db2.gz ISISVKYWAIPXEB-QMMMGPOBSA-N -1 1 296.779 3.302 20 0 CGADMM Cc1nc(N)ncc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001175671697 809500491 /nfs/dbraw/zinc/50/04/91/809500491.db2.gz XJHMQPVGHGICPJ-UHFFFAOYSA-N -1 1 285.134 3.123 20 0 CGADMM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc([O-])cn2)C1 ZINC001297682005 809521384 /nfs/dbraw/zinc/52/13/84/809521384.db2.gz BEJZMNHBEHXNOR-CXAGYDPISA-N -1 1 296.370 3.401 20 0 CGADMM Cc1cc(C)c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cn1 ZINC001213520742 815296606 /nfs/dbraw/zinc/29/66/06/815296606.db2.gz HECZIKMUFPFQSA-UHFFFAOYSA-N -1 1 280.331 3.333 20 0 CGADMM CCN(Cc1occc1C)C(=O)c1ccc(F)c([O-])c1 ZINC001299463374 809550761 /nfs/dbraw/zinc/55/07/61/809550761.db2.gz YJHQNBSZWVBFSW-UHFFFAOYSA-N -1 1 277.295 3.095 20 0 CGADMM Cc1nocc1[N-]C(=O)c1ccc(SC(F)(F)F)o1 ZINC001300166486 809563029 /nfs/dbraw/zinc/56/30/29/809563029.db2.gz OJZIWSVEZZHRGB-UHFFFAOYSA-N -1 1 292.238 3.440 20 0 CGADMM Cc1cncc(Nc2cc3ccc([O-])cc3oc2=O)c1C ZINC001213527656 815299293 /nfs/dbraw/zinc/29/92/93/815299293.db2.gz XKZISZPHVQCGJL-UHFFFAOYSA-N -1 1 282.299 3.254 20 0 CGADMM CSc1nc(Nc2ccc3scnc3c2)cc(=O)[n-]1 ZINC001175911313 809569772 /nfs/dbraw/zinc/56/97/72/809569772.db2.gz KTXCQBMODVGVBW-UHFFFAOYSA-N -1 1 290.373 3.257 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cccc(OC(F)F)c1 ZINC001302482004 809595750 /nfs/dbraw/zinc/59/57/50/809595750.db2.gz OMSQZVFNWVFSHJ-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM CCc1nnc([N-]c2cn(C)nc2-c2ccccc2)s1 ZINC001176562664 809717271 /nfs/dbraw/zinc/71/72/71/809717271.db2.gz NXFZTERSPCESSP-UHFFFAOYSA-N -1 1 285.376 3.245 20 0 CGADMM Cc1cc(C[C@@H](C)Nc2c(F)cc(F)c([O-])c2F)on1 ZINC001176662748 809737226 /nfs/dbraw/zinc/73/72/26/809737226.db2.gz WBWWFOPVYTWNGJ-ZCFIWIBFSA-N -1 1 286.253 3.149 20 0 CGADMM O=C1OCc2c1cccc2Nc1c(F)cc(F)c([O-])c1F ZINC001176673665 809741168 /nfs/dbraw/zinc/74/11/68/809741168.db2.gz VHCQMWNFVHKBGT-UHFFFAOYSA-N -1 1 295.216 3.224 20 0 CGADMM O=C1Cc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2N1 ZINC001176672971 809741288 /nfs/dbraw/zinc/74/12/88/809741288.db2.gz OMOJJPFBVBWGFO-UHFFFAOYSA-N -1 1 294.232 3.048 20 0 CGADMM Cc1nc2ccc(F)cn2c1Nc1ccc(C(=O)[O-])cc1 ZINC001176710490 809746210 /nfs/dbraw/zinc/74/62/10/809746210.db2.gz KQDGUJHKKDYXQH-UHFFFAOYSA-N -1 1 285.278 3.224 20 0 CGADMM C[C@@H]1CCCC[C@@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178784683 809887678 /nfs/dbraw/zinc/88/76/78/809887678.db2.gz BMUMIAGOMVGESF-PWSUYJOCSA-N -1 1 297.345 3.155 20 0 CGADMM Cc1coc(C(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001179660623 809935699 /nfs/dbraw/zinc/93/56/99/809935699.db2.gz ZLNZVTCFSIULGW-UHFFFAOYSA-N -1 1 269.659 3.338 20 0 CGADMM CC(C)O[C@@H]1CCCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001182726455 810121308 /nfs/dbraw/zinc/12/13/08/810121308.db2.gz SUIFMNYKRVUKQG-GFCCVEGCSA-N -1 1 285.334 3.060 20 0 CGADMM O=C(Nc1c[n-][nH]c1=O)c1sc2ccccc2c1Cl ZINC001183550387 810151901 /nfs/dbraw/zinc/15/19/01/810151901.db2.gz LPAFUBGIZUJNHW-UHFFFAOYSA-N -1 1 293.735 3.236 20 0 CGADMM CC[C@@H](CC1CCCCC1)C(=O)Nc1c[n-][nH]c1=O ZINC001183562180 810153011 /nfs/dbraw/zinc/15/30/11/810153011.db2.gz IPJYWGKHMPFVKI-NSHDSACASA-N -1 1 265.357 3.050 20 0 CGADMM CN(C)c1nc(Nc2ccc3sccc3c2)cc(=O)[n-]1 ZINC001213928532 815347114 /nfs/dbraw/zinc/34/71/14/815347114.db2.gz QBVCJQAVGDHWPM-UHFFFAOYSA-N -1 1 286.360 3.207 20 0 CGADMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1ccc2sccc2c1 ZINC001213928571 815347404 /nfs/dbraw/zinc/34/74/04/815347404.db2.gz RJWXBNMPUGDIEY-UHFFFAOYSA-N -1 1 290.373 3.011 20 0 CGADMM C=Cc1ccccc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185996541 810307903 /nfs/dbraw/zinc/30/79/03/810307903.db2.gz IEKRMGFBUDASEY-UHFFFAOYSA-N -1 1 299.355 3.007 20 0 CGADMM O=C(Nc1cnc(C2CC2)s1)c1ccc([O-])c(F)c1 ZINC001186208683 810321839 /nfs/dbraw/zinc/32/18/39/810321839.db2.gz GENBRRNTIDJFMV-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM O=C(NCc1sccc1Cl)c1ccc([O-])c(F)c1 ZINC001186233648 810323422 /nfs/dbraw/zinc/32/34/22/810323422.db2.gz MUNVAHUEOZOZTJ-UHFFFAOYSA-N -1 1 285.727 3.176 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1c(F)cc(CO)cc1F ZINC001214095453 815368457 /nfs/dbraw/zinc/36/84/57/815368457.db2.gz ZHPFFDBFHVOIFA-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM COC(=O)c1c[n-]c(SC2C[C@H](C)C[C@@H](C)C2)n1 ZINC001189166468 810546363 /nfs/dbraw/zinc/54/63/63/810546363.db2.gz OZRNUUCXHQOAJR-RKDXNWHRSA-N -1 1 268.382 3.113 20 0 CGADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccncc1 ZINC001190845753 810652465 /nfs/dbraw/zinc/65/24/65/810652465.db2.gz IGJUHCNNZYVEFY-UHFFFAOYSA-N -1 1 276.361 3.006 20 0 CGADMM Cc1ccc(O)c(Nc2ccnc(Cl)c2[O-])c1 ZINC001214223647 815386995 /nfs/dbraw/zinc/38/69/95/815386995.db2.gz SEDCNLPNSKSCSR-UHFFFAOYSA-N -1 1 250.685 3.198 20 0 CGADMM Cc1cccc(CNC(=O)Nc2cc(F)c(F)cc2[O-])c1 ZINC001190997818 810662100 /nfs/dbraw/zinc/66/21/00/810662100.db2.gz AYBISFCOJNSTJJ-UHFFFAOYSA-N -1 1 292.285 3.301 20 0 CGADMM Cc1[nH]nc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1C ZINC001191126246 810681010 /nfs/dbraw/zinc/68/10/10/810681010.db2.gz GAIQDHJCEWLNDU-UHFFFAOYSA-N -1 1 299.252 3.003 20 0 CGADMM CC(C)(C)C1CCN(C(=O)c2cc([O-])cnc2Cl)CC1 ZINC001195297381 811239752 /nfs/dbraw/zinc/23/97/52/811239752.db2.gz APUXADKDJLWSDV-UHFFFAOYSA-N -1 1 296.798 3.339 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2cc(O)c(C)cc2Cl)n1 ZINC001195330695 811242522 /nfs/dbraw/zinc/24/25/22/811242522.db2.gz RBTHIISSRXVVNC-UHFFFAOYSA-N -1 1 292.722 3.015 20 0 CGADMM C=CS(=O)(=O)[N-]c1cc(F)ccc1OC(CC)CC ZINC001198620217 811526910 /nfs/dbraw/zinc/52/69/10/811526910.db2.gz JSLUFUQOBOGZEO-UHFFFAOYSA-N -1 1 287.356 3.278 20 0 CGADMM CC[C@@H](C)CNC(=S)Nc1c(F)cc([O-])cc1F ZINC001200258127 811656017 /nfs/dbraw/zinc/65/60/17/811656017.db2.gz RWXFNSWOEMRIPI-SSDOTTSWSA-N -1 1 274.336 3.003 20 0 CGADMM [O-]c1c(F)cc(Nc2ccc(CO)c(F)c2F)cc1F ZINC001215038672 815478982 /nfs/dbraw/zinc/47/89/82/815478982.db2.gz XLSUPBMIQJWNMI-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)Nc1ccccc1 ZINC001201947564 811980328 /nfs/dbraw/zinc/98/03/28/811980328.db2.gz GTMBUSKNNYSUKL-UHFFFAOYSA-N -1 1 294.314 3.222 20 0 CGADMM O=C(Nc1ccccc1)Nc1cc(F)c(F)cc1[O-] ZINC001201955773 811983146 /nfs/dbraw/zinc/98/31/46/811983146.db2.gz KNGQCJHJDWZBHZ-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM CN(C)c1nc(Nc2csc3ccccc23)cc(=O)[n-]1 ZINC001202165503 812027060 /nfs/dbraw/zinc/02/70/60/812027060.db2.gz JHLOOXLQIWAOTK-UHFFFAOYSA-N -1 1 286.360 3.207 20 0 CGADMM COc1ccc(NC(=O)Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001202395263 812084353 /nfs/dbraw/zinc/08/43/53/812084353.db2.gz UVRRFKMDRPXVCP-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM C[C@H](NC(=O)Nc1cc(Cl)ncc1[O-])c1ccccc1 ZINC001202495436 812108743 /nfs/dbraw/zinc/10/87/43/812108743.db2.gz RISDVRSLSXPMOL-VIFPVBQESA-N -1 1 291.738 3.323 20 0 CGADMM Cc1ccnc(-c2noc(-c3ccc([O-])cc3Cl)n2)c1 ZINC001215345738 815508081 /nfs/dbraw/zinc/50/80/81/815508081.db2.gz HJWYPVILLXTPFV-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM COCc1ccc(Cl)c([N-]c2nonc2C2CC2)c1 ZINC001215596461 815543684 /nfs/dbraw/zinc/54/36/84/815543684.db2.gz DCYKUEHHHNUAHC-UHFFFAOYSA-N -1 1 279.727 3.490 20 0 CGADMM COCC[C@H](NCc1ccc([O-])c(F)c1F)c1ccco1 ZINC001204960633 812797767 /nfs/dbraw/zinc/79/77/67/812797767.db2.gz DUNDQWMLRUJRMQ-NSHDSACASA-N -1 1 297.301 3.131 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cccc(Cl)c3F)no2)nn1 ZINC001205294154 812935524 /nfs/dbraw/zinc/93/55/24/812935524.db2.gz OJGCHVLOADVJLT-UHFFFAOYSA-N -1 1 292.657 3.253 20 0 CGADMM O=C([O-])c1cc(-c2ccc3nc[nH]c3c2)cc(F)c1F ZINC001206031243 813173229 /nfs/dbraw/zinc/17/32/29/813173229.db2.gz GJPLBFNWWMIGGH-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM Cc1ccc(Nc2cc3ccc([O-])cc3oc2=O)c(O)c1 ZINC001206267909 813264656 /nfs/dbraw/zinc/26/46/56/813264656.db2.gz KOJMWDHDVSLAIQ-UHFFFAOYSA-N -1 1 283.283 3.256 20 0 CGADMM Cc1cc(Nc2c([O-])cc(F)cc2F)ccc1O ZINC001209976826 814227942 /nfs/dbraw/zinc/22/79/42/814227942.db2.gz WCPJPALWSXQOOI-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc(N)c2)c1 ZINC001210465970 814471887 /nfs/dbraw/zinc/47/18/87/814471887.db2.gz ZLRNIQHQMMADEY-UHFFFAOYSA-N -1 1 296.779 3.031 20 0 CGADMM C[C@H](O)c1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001210506872 814495966 /nfs/dbraw/zinc/49/59/66/814495966.db2.gz LPEJKUUCQRNVHE-QMMMGPOBSA-N -1 1 264.712 3.238 20 0 CGADMM [O-]c1c(F)cc(Nc2cccc3c2OCO3)cc1F ZINC001210562380 814527943 /nfs/dbraw/zinc/52/79/43/814527943.db2.gz BXPYTIFOCVGQQD-UHFFFAOYSA-N -1 1 265.215 3.143 20 0 CGADMM Nc1ccc2[nH]c(=S)n(-c3cccc([O-])c3Cl)c2c1 ZINC001210859949 814654728 /nfs/dbraw/zinc/65/47/28/814654728.db2.gz NSYJDFAWWXADRO-UHFFFAOYSA-N -1 1 291.763 3.255 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1c[nH]c2ncccc12 ZINC001210939536 814681537 /nfs/dbraw/zinc/68/15/37/814681537.db2.gz WEUUDZGCBWOBAU-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM [O-]c1cccc(-c2ncnc3ncccc32)c1Cl ZINC001242799061 823135687 /nfs/dbraw/zinc/13/56/87/823135687.db2.gz RKLXMLXQHMZTCT-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM O=C1OCc2cc(-c3cccc([O-])c3Cl)ccc21 ZINC001242799846 823136203 /nfs/dbraw/zinc/13/62/03/823136203.db2.gz FSYJHTLCMLSPJB-UHFFFAOYSA-N -1 1 260.676 3.383 20 0 CGADMM Cc1c(CO)cccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001211170019 814840859 /nfs/dbraw/zinc/84/08/59/814840859.db2.gz WHETZUAKXVRKHI-UHFFFAOYSA-N -1 1 295.342 3.122 20 0 CGADMM CC(C)n1cc(-c2cccc([O-])c2Cl)ccc1=O ZINC001242802446 823137874 /nfs/dbraw/zinc/13/78/74/823137874.db2.gz HUSJNEIZHMAWLL-UHFFFAOYSA-N -1 1 263.724 3.455 20 0 CGADMM CCOC(=O)c1cc(-c2cccc([O-])c2Cl)cnc1F ZINC001242803473 823138522 /nfs/dbraw/zinc/13/85/22/823138522.db2.gz RHFHEOFEMPHFAX-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM COc1cccc(Nc2cc([O-])c(Cl)cc2F)n1 ZINC001211301109 814875004 /nfs/dbraw/zinc/87/50/04/814875004.db2.gz RAAIEVAKOXGRKE-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)[C@@H](O)CCO3)cc1F ZINC001211350188 814883952 /nfs/dbraw/zinc/88/39/52/814883952.db2.gz OTVXKIWUSOAWRN-ZDUSSCGKSA-N -1 1 278.254 3.153 20 0 CGADMM COc1nc2[nH]ccc2cc1-c1cc(F)c([O-])cc1F ZINC001211360258 814886378 /nfs/dbraw/zinc/88/63/78/814886378.db2.gz QNGYJQCJQNIAPN-UHFFFAOYSA-N -1 1 276.242 3.174 20 0 CGADMM Cc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1CO ZINC001211592071 814913907 /nfs/dbraw/zinc/91/39/07/814913907.db2.gz LQADVEGJNGNFDC-UHFFFAOYSA-N -1 1 295.342 3.122 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1Nc1ccc2nccn2c1 ZINC001211616309 814917548 /nfs/dbraw/zinc/91/75/48/814917548.db2.gz HGHISJSNCDCDEJ-UHFFFAOYSA-N -1 1 267.288 3.085 20 0 CGADMM CCOCc1cncc([N-]c2noc(C(C)(C)C)n2)c1 ZINC001215785394 815589753 /nfs/dbraw/zinc/58/97/53/815589753.db2.gz GABVYTYWINXYEE-UHFFFAOYSA-N -1 1 276.340 3.042 20 0 CGADMM CC(=O)c1cccc(-c2noc(-c3ccc(F)c([O-])c3)n2)c1 ZINC001215839075 815611001 /nfs/dbraw/zinc/61/10/01/815611001.db2.gz NUIFXLFGDYHIRR-UHFFFAOYSA-N -1 1 298.273 3.451 20 0 CGADMM CCc1cccnc1-c1noc(-c2cccc([O-])c2F)n1 ZINC001215988813 815653081 /nfs/dbraw/zinc/65/30/81/815653081.db2.gz GXMWDKLPKHVXAI-UHFFFAOYSA-N -1 1 285.278 3.206 20 0 CGADMM CN(C)c1cccc(-c2noc(-c3cc([O-])cc(F)c3)n2)c1 ZINC001216339450 815790962 /nfs/dbraw/zinc/79/09/62/815790962.db2.gz INZKHURZEQDTJH-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM Oc1ccc([N-]c2nnc(-c3ccco3)o2)c(Cl)c1 ZINC001216423481 815823331 /nfs/dbraw/zinc/82/33/31/815823331.db2.gz JNMDKHIKQLCNKR-UHFFFAOYSA-N -1 1 277.667 3.432 20 0 CGADMM O=C([O-])C1(c2ccc(-c3cc4[nH]ccc4cn3)cc2)CC1 ZINC001222659129 816493955 /nfs/dbraw/zinc/49/39/55/816493955.db2.gz ZQZYYBOFORWANM-UHFFFAOYSA-N -1 1 278.311 3.346 20 0 CGADMM O=C([O-])C1(c2ccc(-c3ccc4cncn4c3)cc2)CC1 ZINC001222678877 816497453 /nfs/dbraw/zinc/49/74/53/816497453.db2.gz PHMQKTVDMBQWOI-UHFFFAOYSA-N -1 1 278.311 3.118 20 0 CGADMM CCOc1nc(-c2ccc(F)c([O-])c2)nc2c1CCCC2 ZINC001243048036 823224692 /nfs/dbraw/zinc/22/46/92/823224692.db2.gz DCFQTLJUDGWKEU-UHFFFAOYSA-N -1 1 288.322 3.266 20 0 CGADMM CC[C@@H](OCCCC[P@](=O)([O-])O)C1CCCCC1 ZINC001225019124 816935019 /nfs/dbraw/zinc/93/50/19/816935019.db2.gz RYRBFRREMLQDMW-CYBMUJFWSA-N -1 1 278.329 3.320 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCCC[C@H]1F ZINC001225619977 817115126 /nfs/dbraw/zinc/11/51/26/817115126.db2.gz YXVUNOSTNRKANH-OLZOCXBDSA-N -1 1 252.285 3.254 20 0 CGADMM CC[C@@H](Oc1[n-]c(=S)ncc1OC)c1ccccc1F ZINC001226247210 817311764 /nfs/dbraw/zinc/31/17/64/817311764.db2.gz VAYPQSAALLKABL-LLVKDONJSA-N -1 1 294.351 3.443 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@@H](C)c2ccccc2)c1Cl ZINC001227116754 817563544 /nfs/dbraw/zinc/56/35/44/817563544.db2.gz PYIUYVMYXSATFT-VIFPVBQESA-N -1 1 264.712 3.284 20 0 CGADMM COc1cccc([C@@H](C)Oc2[n-]c(=S)ncc2F)c1 ZINC001227383236 817636657 /nfs/dbraw/zinc/63/66/57/817636657.db2.gz LGEKKEHAYLIRGB-MRVPVSSYSA-N -1 1 280.324 3.053 20 0 CGADMM CC1(C)CC(Oc2[n-]c(=S)ncc2F)CC(C)(C)O1 ZINC001227386928 817637069 /nfs/dbraw/zinc/63/70/69/817637069.db2.gz QYYIVYBHPHLSAV-UHFFFAOYSA-N -1 1 286.372 3.019 20 0 CGADMM Cc1cc(C(=O)[O-])cc(-c2ccc3cncn3c2)c1 ZINC001243182496 823277927 /nfs/dbraw/zinc/27/79/27/823277927.db2.gz QAYSLWJJKISOQC-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM C[C@H]1OCc2c1nc(=O)[n-]c2O[C@@H]1CCCc2ccccc21 ZINC001227713399 817700981 /nfs/dbraw/zinc/70/09/81/817700981.db2.gz OGCYPOAJNQUFIM-QMTHXVAHSA-N -1 1 298.342 3.230 20 0 CGADMM Cc1ccc2c(c1)[C@H](Oc1[n-]c(=O)nc3c1CO[C@H]3C)CC2 ZINC001227710670 817701182 /nfs/dbraw/zinc/70/11/82/817701182.db2.gz OWPDSSGEWQUKJI-IINYFYTJSA-N -1 1 298.342 3.148 20 0 CGADMM FC1(F)CC[C@H](Oc2[n-]c(=S)nc3cnccc32)C1 ZINC001227883526 817742724 /nfs/dbraw/zinc/74/27/24/817742724.db2.gz KEKJAJRDUQNVGV-ZETCQYMHSA-N -1 1 283.303 3.254 20 0 CGADMM Cc1cc(-c2ccc3nc[nH]c3c2)ccc1C(=O)[O-] ZINC001243215362 823296352 /nfs/dbraw/zinc/29/63/52/823296352.db2.gz WMPGDXLSRNUPIC-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCCC[C@@H]1F ZINC001228554719 817937009 /nfs/dbraw/zinc/93/70/09/817937009.db2.gz KJHFPSOOZMFFKP-GXFFZTMASA-N -1 1 282.311 3.350 20 0 CGADMM CCCCOC[C@H](C)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228553479 817937043 /nfs/dbraw/zinc/93/70/43/817937043.db2.gz CLUDOHCIUGPHNI-NSHDSACASA-N -1 1 296.363 3.275 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1OC(C1CC1)C1CC1 ZINC001228556318 817938295 /nfs/dbraw/zinc/93/82/95/817938295.db2.gz NQDWAYOHUPICNI-UHFFFAOYSA-N -1 1 276.332 3.258 20 0 CGADMM CCC[C@H](C)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228556905 817938532 /nfs/dbraw/zinc/93/85/32/817938532.db2.gz SISGLUALAMWCRI-VIFPVBQESA-N -1 1 252.310 3.258 20 0 CGADMM CC[C@@H](Oc1cnnc(=S)[n-]1)c1cccc(F)c1C ZINC001228642037 817961035 /nfs/dbraw/zinc/96/10/35/817961035.db2.gz MLZGCTZVOXYFMM-LLVKDONJSA-N -1 1 279.340 3.138 20 0 CGADMM [O-]c1cccc(CN2CCC[C@@H]2c2cnccn2)c1Cl ZINC001232788346 818440671 /nfs/dbraw/zinc/44/06/71/818440671.db2.gz OUNYFWFTOWCQCQ-CYBMUJFWSA-N -1 1 289.766 3.173 20 0 CGADMM [O-]c1c(F)ccc(CN2CCc3ccsc3C2)c1F ZINC001232934244 818476080 /nfs/dbraw/zinc/47/60/80/818476080.db2.gz CVVZEFBUWHRZRG-UHFFFAOYSA-N -1 1 281.327 3.290 20 0 CGADMM C[C@H]1CCCCC[N@H+]1Cc1ccc(F)c([O-])c1F ZINC001232935834 818477925 /nfs/dbraw/zinc/47/79/25/818477925.db2.gz NKRQEBGKMBHNBN-JTQLQIEISA-N -1 1 255.308 3.435 20 0 CGADMM Cc1cc([C@@H]2CCCN2Cc2cc([O-])c(F)c(F)c2)no1 ZINC001232969513 818485671 /nfs/dbraw/zinc/48/56/71/818485671.db2.gz RDUWHPCSFKEDHV-ZDUSSCGKSA-N -1 1 294.301 3.304 20 0 CGADMM [O-]c1cc(CN2CCC[C@H]2c2ccccn2)cc(F)c1F ZINC001232970543 818487527 /nfs/dbraw/zinc/48/75/27/818487527.db2.gz GFHBYWQXOGXYEO-AWEZNQCLSA-N -1 1 290.313 3.403 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCCC(F)(F)[C@H](F)C1 ZINC001233031861 818505593 /nfs/dbraw/zinc/50/55/93/818505593.db2.gz ALLYYQLZDDIFTJ-SNVBAGLBSA-N -1 1 294.704 3.010 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1CCn2ccnc21 ZINC001233647858 818668667 /nfs/dbraw/zinc/66/86/67/818668667.db2.gz PRZRNPPDYYJNRD-AWEZNQCLSA-N -1 1 286.331 3.095 20 0 CGADMM [O-]c1ccc(-c2ccc3ccnnc3c2)c(F)c1F ZINC001243341447 823356105 /nfs/dbraw/zinc/35/61/05/823356105.db2.gz QJJVNORVMSGRSQ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1ccc(-c2ccc3c(c2)CCOC3)c(F)c1F ZINC001243342772 823356674 /nfs/dbraw/zinc/35/66/74/823356674.db2.gz TXJKYRDZGJDCIS-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM Cc1nc2ncc(-c3ccc([O-])c(F)c3F)cc2o1 ZINC001243342680 823358005 /nfs/dbraw/zinc/35/80/05/823358005.db2.gz OGULMXMITHOSQM-UHFFFAOYSA-N -1 1 262.215 3.182 20 0 CGADMM CSc1ccc(-c2ccc([O-])c(F)c2F)nc1 ZINC001243342144 823358121 /nfs/dbraw/zinc/35/81/21/823358121.db2.gz CYHNWQDVXOJHBQ-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM FC(F)(F)[C@@H]1CC=C(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001236253878 819405980 /nfs/dbraw/zinc/40/59/80/819405980.db2.gz LJWNQSPATWBWPO-SNVBAGLBSA-N -1 1 295.268 3.008 20 0 CGADMM FC(F)(F)[C@@H]1CC=C(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001236253878 819405983 /nfs/dbraw/zinc/40/59/83/819405983.db2.gz LJWNQSPATWBWPO-SNVBAGLBSA-N -1 1 295.268 3.008 20 0 CGADMM COc1cc(-c2c(F)ccc(C)c2[O-])ncc1F ZINC001236390372 819447846 /nfs/dbraw/zinc/44/78/46/819447846.db2.gz JKBPBEGZKFGHBT-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COCc1cc(-c2c(F)ccc(C)c2[O-])nc(SC)n1 ZINC001236393432 819448773 /nfs/dbraw/zinc/44/87/73/819448773.db2.gz UVDCALCKLUAWSO-UHFFFAOYSA-N -1 1 294.351 3.165 20 0 CGADMM COc1ccc2c(c1)ncnc2-c1c(F)ccc(C)c1[O-] ZINC001236393408 819449175 /nfs/dbraw/zinc/44/91/75/819449175.db2.gz UHYPFWDRGWGKEY-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM CC[C@@H]1CC[N@@H+](Cc2ccc(Br)c(O)c2)C1 ZINC001236696106 819575110 /nfs/dbraw/zinc/57/51/10/819575110.db2.gz SNCAUVJTERVJDH-SNVBAGLBSA-N -1 1 284.197 3.387 20 0 CGADMM CCS(=O)(=O)c1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243503176 823421542 /nfs/dbraw/zinc/42/15/42/823421542.db2.gz QNIKCARJWCVFKW-UHFFFAOYSA-N -1 1 298.310 3.131 20 0 CGADMM Cn1cnc2cc(-c3cc(F)cc(F)c3[O-])ccc21 ZINC001243502868 823421869 /nfs/dbraw/zinc/42/18/69/823421869.db2.gz ASHKCASNBABSPW-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM COC(=O)c1cc(-c2cc(F)cc(F)c2[O-])ccc1OC ZINC001243506133 823423760 /nfs/dbraw/zinc/42/37/60/823423760.db2.gz QCESTLJTFHMLNU-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM [O-]c1c(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cc(Cl)nc1Cl ZINC001237536488 819774498 /nfs/dbraw/zinc/77/44/98/819774498.db2.gz DRTHUKYTYZBQGJ-XVYDVKMFSA-N -1 1 291.153 3.026 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1CN1CCc2cc(F)ccc2C1 ZINC001238146433 819943151 /nfs/dbraw/zinc/94/31/51/819943151.db2.gz WMZZCHAUCCMBOY-UHFFFAOYSA-N -1 1 299.345 3.391 20 0 CGADMM COCOc1cncc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243581936 823454141 /nfs/dbraw/zinc/45/41/41/823454141.db2.gz NPYOTXZHLZNDDB-UHFFFAOYSA-N -1 1 265.696 3.090 20 0 CGADMM Cc1ccc(-c2ccc3c(c2)CC(=O)[N-]C3=O)c(Cl)c1 ZINC001239863345 820669620 /nfs/dbraw/zinc/66/96/20/820669620.db2.gz GDRHPHUHSGQNRR-UHFFFAOYSA-N -1 1 285.730 3.128 20 0 CGADMM Cc1cc(-c2cc(F)ccc2[O-])nc(-c2cccnc2)n1 ZINC001240695218 821251105 /nfs/dbraw/zinc/25/11/05/821251105.db2.gz FUHZRFBBRJDGGE-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM COc1cc(C(=O)[O-])ccc1-c1cc2nc[nH]c2c(C)c1 ZINC001240735569 821287837 /nfs/dbraw/zinc/28/78/37/821287837.db2.gz RHJMRDIIDIDALT-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM Cc1cnc(-c2ccc([O-])c(F)c2)nc1NC(C)C ZINC001240783370 821322938 /nfs/dbraw/zinc/32/29/38/821322938.db2.gz MWDRVGBDPRBUBN-UHFFFAOYSA-N -1 1 261.300 3.117 20 0 CGADMM [O-]c1ccc(-c2ncnc3cc(F)cc(F)c32)cc1F ZINC001240783261 821322977 /nfs/dbraw/zinc/32/29/77/821322977.db2.gz RJYNZENALWMGJW-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM [O-]c1ccc(-c2cnc3cc(F)c(F)cc3n2)cc1F ZINC001240786228 821327308 /nfs/dbraw/zinc/32/73/08/821327308.db2.gz QKMLNAJNWPZZSU-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM [O-]c1cc(F)c(-c2nccc3cnccc32)c(F)c1 ZINC001241118134 821572695 /nfs/dbraw/zinc/57/26/95/821572695.db2.gz IZAJOGYHCDXZDE-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(-c3cccnc3)nn2)c(F)c1 ZINC001241119005 821574419 /nfs/dbraw/zinc/57/44/19/821574419.db2.gz BTVFTLCBGAGNIT-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM CCO/C=C\c1nccnc1-c1c(F)cc([O-])cc1F ZINC001241120375 821575566 /nfs/dbraw/zinc/57/55/66/821575566.db2.gz RFBZCLJMTPGKOZ-UTCJRWHESA-N -1 1 278.258 3.135 20 0 CGADMM O=C1OCc2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241121676 821578739 /nfs/dbraw/zinc/57/87/39/821578739.db2.gz AQWXBHCLTVZBSS-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM [O-]c1ccc(F)c(-c2ncc3cc(F)ccc3n2)c1F ZINC001241289518 821707050 /nfs/dbraw/zinc/70/70/50/821707050.db2.gz UQTSEIVRBOVCIK-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM Cn1ccc2ncnc(-c3ccc([O-])c(C(F)(F)F)c3)c21 ZINC001242150980 822895251 /nfs/dbraw/zinc/89/52/51/822895251.db2.gz BPDODQVXDRWMDI-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM [O-]c1ccc(-c2cc3c(nn2)CCC3)cc1C(F)(F)F ZINC001242158267 822899380 /nfs/dbraw/zinc/89/93/80/822899380.db2.gz VNSUGBMFZKNOPF-UHFFFAOYSA-N -1 1 280.249 3.357 20 0 CGADMM CN1Cc2cc(-c3cccc(Cl)c3[O-])ccc2C1=O ZINC001242366696 822968694 /nfs/dbraw/zinc/96/86/94/822968694.db2.gz RUENMYUXLUQKNF-UHFFFAOYSA-N -1 1 273.719 3.298 20 0 CGADMM [O-]c1c(Cl)cccc1-c1ccc(F)c(-c2nn[nH]n2)c1 ZINC001242365466 822969154 /nfs/dbraw/zinc/96/91/54/822969154.db2.gz DPFKHIAPLVFMTP-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM CON(C)C(=O)c1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001242367782 822969628 /nfs/dbraw/zinc/96/96/28/822969628.db2.gz SAGBLKWJFUYFFD-UHFFFAOYSA-N -1 1 291.734 3.346 20 0 CGADMM CC(C)c1nnc([N-]C(=O)c2nc(C3CC3)cs2)s1 ZINC001348559837 936926621 /nfs/dbraw/zinc/92/66/21/936926621.db2.gz RTAMXICOAOYFSS-UHFFFAOYSA-N -1 1 294.405 3.248 20 0 CGADMM C[C@@H]1CCc2[n-]n([C@H]3CCOC4(CCCC4)C3)c(=O)c2C1 ZINC001352085485 937035342 /nfs/dbraw/zinc/03/53/42/937035342.db2.gz TUKRHNNJILPKRY-HZSPNIEDSA-N -1 1 290.407 3.113 20 0 CGADMM O=C(Nc1cccc(Cl)c1)c1cccc([O-])c1F ZINC001440577209 937331831 /nfs/dbraw/zinc/33/18/31/937331831.db2.gz SLJBTHKHPWDNQV-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM CC[C@H]1CCCCCN1C(=O)c1cccc([O-])c1F ZINC001444339420 937352292 /nfs/dbraw/zinc/35/22/92/937352292.db2.gz AYHZCEBBADWRHH-NSHDSACASA-N -1 1 265.328 3.326 20 0 CGADMM O=C(Nc1cscc1Cl)c1ccccc1[O-] ZINC001455400185 937417405 /nfs/dbraw/zinc/41/74/05/937417405.db2.gz PAFNXDDWTGCHBC-UHFFFAOYSA-N -1 1 253.710 3.359 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1ccnc(Cl)c1 ZINC001455440991 937418087 /nfs/dbraw/zinc/41/80/87/937418087.db2.gz NULSYUJKBVIWSH-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM CN(C(=O)c1ccc(F)c([O-])c1)[C@H]1CCc2ccccc2C1 ZINC001457155828 937438960 /nfs/dbraw/zinc/43/89/60/937438960.db2.gz OJJIBGDKRJCXNI-HNNXBMFYSA-N -1 1 299.345 3.161 20 0 CGADMM O=C(NC[C@@H]1C[C@@H]1C1CCCC1)c1cc(F)ccc1[O-] ZINC001457309176 937440238 /nfs/dbraw/zinc/44/02/38/937440238.db2.gz KUNPSXZUOWOWKK-WCQYABFASA-N -1 1 277.339 3.087 20 0 CGADMM C/C(=C/c1ccco1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001457757952 937445482 /nfs/dbraw/zinc/44/54/82/937445482.db2.gz CTOOQNMLIXMXRC-FPLPWBNLSA-N -1 1 278.695 3.076 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])NC1CCCCC1 ZINC000196344864 932033509 /nfs/dbraw/zinc/03/35/09/932033509.db2.gz VAUIOPSGALLVMX-UHFFFAOYSA-N -1 1 268.744 3.500 20 0 CGADMM O=c1ccc2c(O[C@@H]3CC4CCC3CC4)cc([O-])cc2o1 ZINC001229135594 932103255 /nfs/dbraw/zinc/10/32/55/932103255.db2.gz NWOLNYCVYZHXMY-QIMFLAQGSA-N -1 1 286.327 3.456 20 0 CGADMM CCC[C@H](CC)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229218548 932118227 /nfs/dbraw/zinc/11/82/27/932118227.db2.gz NSZKVJCKFLZPPX-NSHDSACASA-N -1 1 292.331 3.465 20 0 CGADMM O=C(Cc1ccccc1)c1ccc([O-])cc1OC1CC1 ZINC001229260855 932124960 /nfs/dbraw/zinc/12/49/60/932124960.db2.gz YJKVCFUKBBFVCI-UHFFFAOYSA-N -1 1 268.312 3.359 20 0 CGADMM COc1cc(Cl)c(F)c(C(=O)[N-]c2conc2C)c1 ZINC001461255048 937572001 /nfs/dbraw/zinc/57/20/01/937572001.db2.gz SBJFTMAPJKGHQH-UHFFFAOYSA-N -1 1 284.674 3.036 20 0 CGADMM [O-]c1ccc(CN(Cc2ccccn2)C2CC2)c(F)c1F ZINC001462202469 937624884 /nfs/dbraw/zinc/62/48/84/937624884.db2.gz IEGKLNDVONFHOB-UHFFFAOYSA-N -1 1 290.313 3.230 20 0 CGADMM CCCC[C@@H](CC)CNC(=O)c1ccc(F)c([O-])c1 ZINC001464034961 937685298 /nfs/dbraw/zinc/68/52/98/937685298.db2.gz ZSKXHMGTPSXZPR-LLVKDONJSA-N -1 1 267.344 3.478 20 0 CGADMM CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)c([O-])c1 ZINC001464761606 937695030 /nfs/dbraw/zinc/69/50/30/937695030.db2.gz SLEPSHCNUVQICX-AWEZNQCLSA-N -1 1 287.334 3.282 20 0 CGADMM Cc1cc(Cl)cc(NC(=O)c2cccc([O-])c2F)c1O ZINC001466544387 937710441 /nfs/dbraw/zinc/71/04/41/937710441.db2.gz NGASDKDZLKWGGN-UHFFFAOYSA-N -1 1 295.697 3.451 20 0 CGADMM O=C(Nc1ccncc1[O-])c1ccc(-c2ccccc2)s1 ZINC001318922513 933797676 /nfs/dbraw/zinc/79/76/76/933797676.db2.gz AVYGGCDVVCKWRI-UHFFFAOYSA-N -1 1 296.351 3.190 20 0 CGADMM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ncccc1[O-] ZINC001467803679 937722558 /nfs/dbraw/zinc/72/25/58/937722558.db2.gz IPNXULMPZIOCKQ-NSHDSACASA-N -1 1 296.326 3.333 20 0 CGADMM Cc1cc(C(=O)Nc2cc([O-])c(F)cc2F)sc1C=O ZINC001468748315 937731412 /nfs/dbraw/zinc/73/14/12/937731412.db2.gz WWBFRGLDJNQXTE-UHFFFAOYSA-N -1 1 297.282 3.105 20 0 CGADMM Cc1cc(C)cc(CNC(=O)c2ccc([O-])c(F)c2)c1 ZINC001470421756 937752683 /nfs/dbraw/zinc/75/26/83/937752683.db2.gz KDARORCDOPCFOY-UHFFFAOYSA-N -1 1 273.307 3.078 20 0 CGADMM CC(C)C(=O)c1ccc([C@H](C)C(=O)[N-]OC(C)(C)C)cc1 ZINC001321465221 934186486 /nfs/dbraw/zinc/18/64/86/934186486.db2.gz FOOHORDVTUFVGL-LBPRGKRZSA-N -1 1 291.391 3.475 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc3ccccc3c2[O-])O1 ZINC001470215100 937749508 /nfs/dbraw/zinc/74/95/08/937749508.db2.gz SGSGJRRMLJOPLF-OCCSQVGLSA-N -1 1 299.370 3.233 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1nccc2ccsc21 ZINC001471168995 937762087 /nfs/dbraw/zinc/76/20/87/937762087.db2.gz UIRRARQZBKHMKI-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM Cc1cc[nH]c1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001472192996 937773629 /nfs/dbraw/zinc/77/36/29/937773629.db2.gz GRFFYKSJCQRRKW-UHFFFAOYSA-N -1 1 268.675 3.074 20 0 CGADMM Cc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)c(C)[nH]1 ZINC001472193019 937773826 /nfs/dbraw/zinc/77/38/26/937773826.db2.gz HUTUAVWMFZANSS-UHFFFAOYSA-N -1 1 282.702 3.382 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1ccc(F)cc1F ZINC001324445141 934504815 /nfs/dbraw/zinc/50/48/15/934504815.db2.gz UAXQDOHMIOFYBB-ZJUUUORDSA-N -1 1 271.307 3.162 20 0 CGADMM COc1ccc(Cl)c(CSc2ncc(C)c(=O)[n-]2)c1 ZINC001473035538 937790900 /nfs/dbraw/zinc/79/09/00/937790900.db2.gz JTQKQNAHQYCIRW-UHFFFAOYSA-N -1 1 296.779 3.445 20 0 CGADMM CCc1ccc2nc(-c3ccc4cc[nH]c4n3)[n-]c(=O)c2c1 ZINC001324856936 934866555 /nfs/dbraw/zinc/86/65/55/934866555.db2.gz GOKMBOYTBDKFEB-UHFFFAOYSA-N -1 1 290.326 3.441 20 0 CGADMM C[C@@H](OC1CCCCC1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001325244534 934898116 /nfs/dbraw/zinc/89/81/16/934898116.db2.gz PPRJBFPOXATINR-SECBINFHSA-N -1 1 299.317 3.347 20 0 CGADMM CC(C)(NC(=O)c1c([O-])cccc1Cl)C(F)(F)F ZINC001328337381 935130847 /nfs/dbraw/zinc/13/08/47/935130847.db2.gz BWSUDNSMSXUSTM-UHFFFAOYSA-N -1 1 281.661 3.116 20 0 CGADMM O=C(C[C@@H]1CC=CCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001335598055 936154948 /nfs/dbraw/zinc/15/49/48/936154948.db2.gz LVJJZNYHVDMSOO-GFCCVEGCSA-N -1 1 297.358 3.467 20 0 CGADMM CCc1nc(NC(=O)c2ccc(F)c([O-])c2)sc1C ZINC001539169378 938123392 /nfs/dbraw/zinc/12/33/92/938123392.db2.gz DQYSGJPJDAFQOO-UHFFFAOYSA-N -1 1 280.324 3.111 20 0 CGADMM COc1ccc(NC(=O)c2cccc([O-])c2F)cc1Cl ZINC001540395999 938130801 /nfs/dbraw/zinc/13/08/01/938130801.db2.gz MRQCVYNSZVAFII-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CN(Cc1cccs1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001543164139 938138085 /nfs/dbraw/zinc/13/80/85/938138085.db2.gz PILZMLUGWBTWRZ-UHFFFAOYSA-N -1 1 295.791 3.308 20 0 CGADMM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccc([O-])cn1 ZINC001543634060 938140782 /nfs/dbraw/zinc/14/07/82/938140782.db2.gz NRLIPUKSRAKWNS-NSHDSACASA-N -1 1 296.326 3.333 20 0 CGADMM CC[C@](C)(NC(=O)c1ncc(C)cc1[O-])c1ccccc1 ZINC001543734989 938141269 /nfs/dbraw/zinc/14/12/69/938141269.db2.gz HUGOQWSKHNRZJY-KRWDZBQOSA-N -1 1 284.359 3.151 20 0 CGADMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC001544741269 938146767 /nfs/dbraw/zinc/14/67/67/938146767.db2.gz UMWSSYJHLAHXNO-UHFFFAOYSA-N -1 1 293.725 3.390 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccc2c(c1)CCC2 ZINC001557086192 938207699 /nfs/dbraw/zinc/20/76/99/938207699.db2.gz KPYZRBNXXCFWPH-UHFFFAOYSA-N -1 1 289.281 3.411 20 0 CGADMM CC(C)(C(=O)Nc1cc(F)cc(F)c1[O-])c1nccs1 ZINC001557087226 938207781 /nfs/dbraw/zinc/20/77/81/938207781.db2.gz YZERPBNAPMGLOW-UHFFFAOYSA-N -1 1 298.314 3.043 20 0 CGADMM CC(C)CC1(NC(=O)c2ncc3ccccc3c2[O-])CC1 ZINC001557620571 938211177 /nfs/dbraw/zinc/21/11/77/938211177.db2.gz ZFHVEQJLJIWJPT-UHFFFAOYSA-N -1 1 284.359 3.249 20 0 CGADMM O=C(NC[C@H]1C[C@@H]1Cc1ccccc1)c1c([O-])cccc1F ZINC001558808095 938217878 /nfs/dbraw/zinc/21/78/78/938217878.db2.gz CRGZZNRYXDTTRV-UONOGXRCSA-N -1 1 299.345 3.140 20 0 CGADMM Cc1cnc(SCc2sccc2Cl)[n-]c1=O ZINC001559416381 938226284 /nfs/dbraw/zinc/22/62/84/938226284.db2.gz HIPCVALEYSZKMS-UHFFFAOYSA-N -1 1 272.782 3.498 20 0 CGADMM O=C([O-])CCCN1CC[C@@H]1c1ccc(Br)cc1 ZINC001595048137 951450930 /nfs/dbraw/zinc/45/09/30/951450930.db2.gz JHEXUGNKVQYQLG-GFCCVEGCSA-N -1 1 298.180 3.061 20 0 CGADMM Cc1ccccc1[C@@H](NCc1ccccc1F)C(=O)[O-] ZINC000212140720 959708924 /nfs/dbraw/zinc/70/89/24/959708924.db2.gz GNGRLXXJVHOFDX-OAHLLOKOSA-N -1 1 273.307 3.050 20 0 CGADMM C[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1cccs1 ZINC000231029701 960183068 /nfs/dbraw/zinc/18/30/68/960183068.db2.gz CHVSMKFOHABRBJ-SECBINFHSA-N -1 1 279.336 3.436 20 0 CGADMM Cc1oc(CN[C@@H](C)c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000235523584 960453979 /nfs/dbraw/zinc/45/39/79/960453979.db2.gz DTTDDLDXLGOGDF-JTQLQIEISA-N -1 1 284.315 3.009 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])s1)Cc1cc(F)cc(F)c1 ZINC001593755103 960510270 /nfs/dbraw/zinc/51/02/70/960510270.db2.gz DFSVJSWDNVUWLR-UHFFFAOYSA-N -1 1 297.326 3.357 20 0 CGADMM C[C@@H]1CN(C(=O)c2cccc([O-])c2F)[C@H]1c1ccccc1 ZINC001566098814 960878407 /nfs/dbraw/zinc/87/84/07/960878407.db2.gz AZBIFAGBEYHUTH-BDJLRTHQSA-N -1 1 285.318 3.365 20 0 CGADMM O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)c1ncccc1[O-] ZINC001569641432 961815490 /nfs/dbraw/zinc/81/54/90/961815490.db2.gz UZKYYXAGQRLSOD-GJZGRUSLSA-N -1 1 296.370 3.101 20 0 CGADMM Cc1ccc([C@@H](C)C(=O)Nc2cc(F)cc(F)c2[O-])o1 ZINC001570464548 961969141 /nfs/dbraw/zinc/96/91/41/961969141.db2.gz HCVKTSUYCIMHDH-MRVPVSSYSA-N -1 1 281.258 3.314 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1occ2c1CCC2 ZINC001570465577 961974691 /nfs/dbraw/zinc/97/46/91/961974691.db2.gz FTNZFIBAKYSNOQ-UHFFFAOYSA-N -1 1 279.242 3.004 20 0 CGADMM O=C(CCCc1nccs1)Nc1cc(F)cc(F)c1[O-] ZINC001570465663 961978292 /nfs/dbraw/zinc/97/82/92/961978292.db2.gz JRVUDHZQEJHZNB-UHFFFAOYSA-N -1 1 298.314 3.088 20 0 CGADMM O=C([O-])c1ccccc1CNCc1cc(O)cc(Cl)c1 ZINC001574814917 962317753 /nfs/dbraw/zinc/31/77/53/962317753.db2.gz FLKHOGQDCRSESO-UHFFFAOYSA-N -1 1 291.734 3.034 20 0 CGADMM Cc1ccc(N(C)C(=O)c2ccc(F)c([O-])c2)cc1 ZINC001584306147 962913032 /nfs/dbraw/zinc/91/30/32/962913032.db2.gz IHOFPPBNFKRJKF-UHFFFAOYSA-N -1 1 259.280 3.116 20 0 CGADMM C/C=C\[C@H](O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001585193320 962995328 /nfs/dbraw/zinc/99/53/28/962995328.db2.gz UGQAQYUIAZIRSV-LWJUFGILSA-N -1 1 291.734 3.074 20 0 CGADMM CC(C)(CNC(=O)c1ccc(F)c([O-])c1)CC(F)(F)F ZINC001585496423 963017079 /nfs/dbraw/zinc/01/70/79/963017079.db2.gz FJQFZVHCLXJAGG-UHFFFAOYSA-N -1 1 293.260 3.240 20 0 CGADMM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cccc([O-])c1F ZINC001586017379 963063292 /nfs/dbraw/zinc/06/32/92/963063292.db2.gz AVNAMXUVJVTMIC-HNNXBMFYSA-N -1 1 299.345 3.282 20 0 CGADMM C/C=C/C[C@@H]1CCCN(C(=O)c2cccc([O-])c2F)C1 ZINC001586498727 963110945 /nfs/dbraw/zinc/11/09/45/963110945.db2.gz HDYFZIQXOKDIRW-QAVQXKDTSA-N -1 1 277.339 3.350 20 0 CGADMM C[C@@H](CNC(=O)c1cccc([O-])c1F)Cc1cccs1 ZINC001587151905 963174759 /nfs/dbraw/zinc/17/47/59/963174759.db2.gz ZRYPVRBYFXIZRO-SNVBAGLBSA-N -1 1 293.363 3.201 20 0 CGADMM CCN(CCc1cccs1)C(=O)c1ccc([O-])cc1F ZINC001588187977 963258546 /nfs/dbraw/zinc/25/85/46/963258546.db2.gz ZCDLOYBVZSBTLR-UHFFFAOYSA-N -1 1 293.363 3.298 20 0 CGADMM C/C(=C\CN[C@H](c1ccc(C)cc1)c1ccccn1)C(=O)[O-] ZINC001588982047 963339195 /nfs/dbraw/zinc/33/91/95/963339195.db2.gz MHNHSWJZUWWRTC-IDKBZEPQSA-N -1 1 296.370 3.100 20 0 CGADMM C[C@H](N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccco1 ZINC001589123531 963342962 /nfs/dbraw/zinc/34/29/62/963342962.db2.gz LIXXCQWUWIIKTQ-ZLKJLUDKSA-N -1 1 271.316 3.243 20 0 CGADMM CC(F)(F)CN[C@@H]1CCC[C@H](CCCC(=O)[O-])C1 ZINC001592944269 980020022 /nfs/dbraw/zinc/02/00/22/980020022.db2.gz WKRLOLWTEGMJOD-GHMZBOCLSA-N -1 1 263.328 3.045 20 0 CGADMM CCCC[C@@H](C(=O)[O-])N(C)Cc1c(F)cccc1F ZINC001595628620 981788761 /nfs/dbraw/zinc/78/87/61/981788761.db2.gz GIPALWWJEAQONM-ZDUSSCGKSA-N -1 1 271.307 3.040 20 0 CGADMM CC[C@@H](C)[C@H](Sc1nc2ccc(C)cc2[nH]1)C(=O)[O-] ZINC001594929485 982547541 /nfs/dbraw/zinc/54/75/41/982547541.db2.gz SOWYBHFHPQWLIO-SKDRFNHKSA-N -1 1 278.377 3.463 20 0 CGADMM C[C@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccc(F)cc1Cl ZINC001599901340 984835037 /nfs/dbraw/zinc/83/50/37/984835037.db2.gz KNZDFOSGGFPBIE-QMMMGPOBSA-N -1 1 296.729 3.356 20 0 CGADMM Cc1[nH]c(CN2CCc3ccccc3[C@H]2C)cc1C(=O)[O-] ZINC001599964472 985873091 /nfs/dbraw/zinc/87/30/91/985873091.db2.gz JWEZECKISIRSAT-GFCCVEGCSA-N -1 1 284.359 3.141 20 0 CGADMM CCc1[nH]c(CN(Cc2ccccc2)C2CC2)cc1C(=O)[O-] ZINC001597385108 987593120 /nfs/dbraw/zinc/59/31/20/987593120.db2.gz QIAOUWSCNZCBGD-UHFFFAOYSA-N -1 1 298.386 3.440 20 0 CGADMM C[C@H](c1ccccc1)N(Cc1oncc1C(=O)[O-])C1CC1 ZINC001593711544 996212690 /nfs/dbraw/zinc/21/26/90/996212690.db2.gz VGWYYLRACVTZER-LLVKDONJSA-N -1 1 286.331 3.098 20 0 CGADMM C[C@]12CCN(Cc3cc(C(=O)[O-])ccc3F)C[C@H]1C2(F)F ZINC001594087254 998012130 /nfs/dbraw/zinc/01/21/30/998012130.db2.gz CHIXYDUCKWUUCY-OCCSQVGLSA-N -1 1 299.292 3.001 20 0 CGADMM C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])o1 ZINC001594216870 998834610 /nfs/dbraw/zinc/83/46/10/998834610.db2.gz YBPLSUXOOLRLLG-IUCAKERBSA-N -1 1 291.269 3.141 20 0 CGADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)nc2)c(C)c1 ZINC000337765506 214252948 /nfs/dbraw/zinc/25/29/48/214252948.db2.gz MHRFJCRRMMLUID-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM CCc1ccc(C(=O)N(C)c2ccc(OC)cc2)c([O-])c1 ZINC000622739928 349698653 /nfs/dbraw/zinc/69/86/53/349698653.db2.gz GVOVVTAIRBPTMS-UHFFFAOYSA-N -1 1 285.343 3.240 20 0 CGADMM CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccncc1 ZINC000158511630 529566411 /nfs/dbraw/zinc/56/64/11/529566411.db2.gz HIRQLODRXXCMLF-ZDUSSCGKSA-N -1 1 290.750 3.322 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccccc2N(C)C)n1 ZINC000436190771 529566619 /nfs/dbraw/zinc/56/66/19/529566619.db2.gz VKPBKXXANLVJRD-UHFFFAOYSA-N -1 1 289.404 3.103 20 0 CGADMM CC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(C)cc1 ZINC000436859880 529585877 /nfs/dbraw/zinc/58/58/77/529585877.db2.gz MNKRLURHRBNVLC-MRXNPFEDSA-N -1 1 297.354 3.151 20 0 CGADMM CCc1ncc(NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000436734462 529758845 /nfs/dbraw/zinc/75/88/45/529758845.db2.gz DJJKMHQTPMBSPK-UHFFFAOYSA-N -1 1 293.326 3.150 20 0 CGADMM COc1ccc(Cl)c(NC(=O)c2ccccc2[O-])c1 ZINC000043318770 344996528 /nfs/dbraw/zinc/99/65/28/344996528.db2.gz ORKVMNAZEVIUIA-UHFFFAOYSA-N -1 1 277.707 3.307 20 0 CGADMM Cc1oc(CN(C)Cc2cccc(C)c2)cc1C(=O)[O-] ZINC000048871188 345069811 /nfs/dbraw/zinc/06/98/11/345069811.db2.gz ZZPHYWQSLUIVPA-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM CC(C)(C)c1nsc([N-]C(=O)c2ccc(Cl)o2)n1 ZINC000068073691 345342785 /nfs/dbraw/zinc/34/27/85/345342785.db2.gz PKWJAYHRHXTNPC-UHFFFAOYSA-N -1 1 285.756 3.334 20 0 CGADMM C[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000152791917 232211538 /nfs/dbraw/zinc/21/15/38/232211538.db2.gz KTVYUDVPQOITAV-GZMMTYOYSA-N -1 1 298.180 3.073 20 0 CGADMM CC(C)(C)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)n[nH]1 ZINC000111666081 345950264 /nfs/dbraw/zinc/95/02/64/345950264.db2.gz PCCQLHBGHSHJDR-UHFFFAOYSA-N -1 1 293.754 3.319 20 0 CGADMM CC1(C)CCCC[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC000128687585 346043631 /nfs/dbraw/zinc/04/36/31/346043631.db2.gz LATOZQWUCQRNJL-ZDUSSCGKSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)c(F)c1 ZINC000404826090 346601804 /nfs/dbraw/zinc/60/18/04/346601804.db2.gz BXDKWCBXJYNQQQ-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Cc1nc(CNCc2cccc([O-])c2Cl)sc1C ZINC000339290891 215071638 /nfs/dbraw/zinc/07/16/38/215071638.db2.gz OFWOUZSTGWPNQB-UHFFFAOYSA-N -1 1 282.796 3.409 20 0 CGADMM CCN(C(=O)c1cc(F)ccc1[O-])C1CCCCC1 ZINC000128596805 187379077 /nfs/dbraw/zinc/37/90/77/187379077.db2.gz IEDDHNIWQZGOQL-UHFFFAOYSA-N -1 1 265.328 3.326 20 0 CGADMM C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccco1 ZINC000608352320 348299996 /nfs/dbraw/zinc/29/99/96/348299996.db2.gz DJKAMTBGPCIEQA-SNVBAGLBSA-N -1 1 297.314 3.118 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc2cc[nH]c2c1 ZINC000608366406 348301047 /nfs/dbraw/zinc/30/10/47/348301047.db2.gz UHFGYHSRCOLJAR-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1c([O-])cccc1F ZINC000608365878 348301497 /nfs/dbraw/zinc/30/14/97/348301497.db2.gz CNTFCHPAAKKRFD-VIFPVBQESA-N -1 1 293.269 3.076 20 0 CGADMM C[C@@H](Oc1ccccc1F)C(=O)Nc1c([O-])cccc1F ZINC000608366376 348301633 /nfs/dbraw/zinc/30/16/33/348301633.db2.gz IUQOFXBMBHZFRJ-SECBINFHSA-N -1 1 293.269 3.076 20 0 CGADMM C[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C[C@@H](C)C1 ZINC000612851152 348550172 /nfs/dbraw/zinc/55/01/72/348550172.db2.gz NNESUZNRUWUSQK-STQMWFEESA-N -1 1 298.386 3.449 20 0 CGADMM CO[C@H](C(=O)Nc1c([O-])cccc1F)C1CCCCC1 ZINC000613027309 348560176 /nfs/dbraw/zinc/56/01/76/348560176.db2.gz KHTIQFSQWGFQFK-AWEZNQCLSA-N -1 1 281.327 3.065 20 0 CGADMM CCOCc1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)cc1 ZINC000614112079 348650114 /nfs/dbraw/zinc/65/01/14/348650114.db2.gz CGDXMRYOZKDGLX-UHFFFAOYSA-N -1 1 294.354 3.435 20 0 CGADMM O=C(Nc1nc(-c2ccncc2)cs1)c1ccccc1[O-] ZINC000614228973 348660576 /nfs/dbraw/zinc/66/05/76/348660576.db2.gz SLAKGACLUWBZKN-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc([O-])c(F)c2)C1 ZINC000613510495 348614520 /nfs/dbraw/zinc/61/45/20/348614520.db2.gz PLPWCWFBHVWPHI-RYUDHWBXSA-N -1 1 297.395 3.278 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC(c2ccco2)CC1 ZINC000617384794 348954829 /nfs/dbraw/zinc/95/48/29/348954829.db2.gz QKYFSGMCTOKHEX-UHFFFAOYSA-N -1 1 289.306 3.144 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@H](C)c2ccccc2F)c([O-])c1 ZINC000358623287 233167905 /nfs/dbraw/zinc/16/79/05/233167905.db2.gz CKDZRWZILWHDQV-LLVKDONJSA-N -1 1 288.322 3.068 20 0 CGADMM CC(=O)c1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)cc1 ZINC000339572076 215247476 /nfs/dbraw/zinc/24/74/76/215247476.db2.gz SNLFBNPHKOSKIA-UHFFFAOYSA-N -1 1 278.311 3.101 20 0 CGADMM O=C(c1cncc([O-])c1)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000617920053 349024794 /nfs/dbraw/zinc/02/47/94/349024794.db2.gz XEJNMLTYQNMDSA-OAHLLOKOSA-N -1 1 298.342 3.138 20 0 CGADMM O=C(c1cccc2nn[nH]c21)N1CC[C@H](C2CCCCC2)C1 ZINC000618185044 349058525 /nfs/dbraw/zinc/05/85/25/349058525.db2.gz KJFKXFRUOUNEGF-ZDUSSCGKSA-N -1 1 298.390 3.000 20 0 CGADMM Cc1cnc(C(=O)NC[C@H]2CCCCC(F)(F)C2)c([O-])c1 ZINC000358781465 233195984 /nfs/dbraw/zinc/19/59/84/233195984.db2.gz SROFBWVZVMBZQS-NSHDSACASA-N -1 1 298.333 3.041 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](CCF)C1 ZINC000618691562 349144599 /nfs/dbraw/zinc/14/45/99/349144599.db2.gz UPDIVYHWTYRFPL-SNVBAGLBSA-N -1 1 285.746 3.257 20 0 CGADMM COc1cc(C(=O)NC2(CC(C)C)CC2)cc(Cl)c1[O-] ZINC000620281981 349349680 /nfs/dbraw/zinc/34/96/80/349349680.db2.gz SZQWTFRQLNFDMD-UHFFFAOYSA-N -1 1 297.782 3.363 20 0 CGADMM CC1(C)C[C@@]1(C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000620076129 349319987 /nfs/dbraw/zinc/31/99/87/349319987.db2.gz KGSOXKUVISODQC-CYBMUJFWSA-N -1 1 287.281 3.329 20 0 CGADMM C[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)CC(C)(C)C ZINC000620446115 349373376 /nfs/dbraw/zinc/37/33/76/349373376.db2.gz RGMHBQUZIXAZIU-ZETCQYMHSA-N -1 1 292.305 3.224 20 0 CGADMM CC(C)SCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000312492395 535111904 /nfs/dbraw/zinc/11/19/04/535111904.db2.gz WJDRPQQATNKOOY-UHFFFAOYSA-N -1 1 289.400 3.417 20 0 CGADMM Cc1oc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)cc1C(=O)[O-] ZINC000625971287 350238153 /nfs/dbraw/zinc/23/81/53/350238153.db2.gz SCJAQZGAEGBAMS-RKDXNWHRSA-N -1 1 287.306 3.009 20 0 CGADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[O-])C(F)(F)F ZINC000626277715 350290767 /nfs/dbraw/zinc/29/07/67/350290767.db2.gz MDLQTQWFLGIBTA-LURJTMIESA-N -1 1 265.206 3.058 20 0 CGADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CC2(CCC2)C1 ZINC000629380682 350685676 /nfs/dbraw/zinc/68/56/76/350685676.db2.gz UKBSUCDEOOGBPE-UHFFFAOYSA-N -1 1 297.358 3.097 20 0 CGADMM C[C@@H]1CCCN(C(=O)N=c2[n-]sc3ccccc32)CC1 ZINC000630348256 350827173 /nfs/dbraw/zinc/82/71/73/350827173.db2.gz NIPGULHYVFEAKA-LLVKDONJSA-N -1 1 289.404 3.372 20 0 CGADMM Cc1nc(S[C@H]2COC(C)(C)C2)[n-]c(=O)c1C1CC1 ZINC000631023473 350927071 /nfs/dbraw/zinc/92/70/71/350927071.db2.gz SJSKLBXTKZORDU-SNVBAGLBSA-N -1 1 280.393 3.028 20 0 CGADMM Cc1nc(SC2CC(OC(C)C)C2)[n-]c(=O)c1C1CC1 ZINC000631023527 350927917 /nfs/dbraw/zinc/92/79/17/350927917.db2.gz VGOYVUMSNJBOTC-UHFFFAOYSA-N -1 1 294.420 3.416 20 0 CGADMM CC[C@H](C)CN(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631219924 350994727 /nfs/dbraw/zinc/99/47/27/350994727.db2.gz OHIUHAOBDBHWIM-JTQLQIEISA-N -1 1 269.772 3.093 20 0 CGADMM C[C@@H]1C[C@H]1c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000632079145 351165732 /nfs/dbraw/zinc/16/57/32/351165732.db2.gz KHZLUWNFRDJPPJ-VXNVDRBHSA-N -1 1 264.712 3.143 20 0 CGADMM CC(C)C(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632258877 351188379 /nfs/dbraw/zinc/18/83/79/351188379.db2.gz WUMBXKMQDIDSQG-UHFFFAOYSA-N -1 1 295.351 3.178 20 0 CGADMM CCC(C)(C)CC[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632642010 351207609 /nfs/dbraw/zinc/20/76/09/351207609.db2.gz GOTJYYVYOJWUGU-UHFFFAOYSA-N -1 1 295.351 3.322 20 0 CGADMM C[C@@H]1CCC(C)(C)N1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633371385 351288314 /nfs/dbraw/zinc/28/83/14/351288314.db2.gz XNCHCRCYDYTNGA-SNVBAGLBSA-N -1 1 281.783 3.378 20 0 CGADMM C[C@@]1(NC(=O)Cc2ccc([O-])c(Cl)c2)CC=CCC1 ZINC000633409714 351297351 /nfs/dbraw/zinc/29/73/51/351297351.db2.gz ZTJRTLZEKUUSOJ-OAHLLOKOSA-N -1 1 279.767 3.203 20 0 CGADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633412053 351298411 /nfs/dbraw/zinc/29/84/11/351298411.db2.gz GESUULGOWXDEAQ-ZFWWWQNUSA-N -1 1 281.783 3.139 20 0 CGADMM CC(C)[C@@H]1CCc2[n-]n(C[C@H]3CCSC3)c(=O)c2C1 ZINC000634629337 351551711 /nfs/dbraw/zinc/55/17/11/351551711.db2.gz RXJUIDZWBPWIKM-JHJVBQTASA-N -1 1 280.437 3.010 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(OC(F)(F)F)cc3)c(=O)c21 ZINC000634587138 351525457 /nfs/dbraw/zinc/52/54/57/351525457.db2.gz FYXZZVLGKRXPQM-PRHODGIISA-N -1 1 298.264 3.334 20 0 CGADMM C[C@H](c1ccc(Cl)cc1)n1[n-]c2c(c1=O)CCC2 ZINC000634601415 351536542 /nfs/dbraw/zinc/53/65/42/351536542.db2.gz MCKDXZJTPKOUOY-BXKDBHETSA-N -1 1 262.740 3.399 20 0 CGADMM CCCc1cc(=O)n(-c2ccnc3ccccc32)[n-]1 ZINC000634603276 351537637 /nfs/dbraw/zinc/53/76/37/351537637.db2.gz UVVHHWHAQPKSJH-UHFFFAOYSA-N -1 1 253.305 3.128 20 0 CGADMM CCc1c(=O)n(-c2cccc(C)n2)[n-]c1-c1cccc(C)c1 ZINC000634612840 351542277 /nfs/dbraw/zinc/54/22/77/351542277.db2.gz JGOAIGHOUHNQHL-OAHLLOKOSA-N -1 1 293.370 3.476 20 0 CGADMM Cc1[n-]n([C@H](Cc2ccccc2)C(C)C)c(=O)c1C ZINC000634621183 351546850 /nfs/dbraw/zinc/54/68/50/351546850.db2.gz BLKDNVWRPVZHMR-SWLSCSKDSA-N -1 1 258.365 3.108 20 0 CGADMM CC(C)[C@@H]1CCc2[n-]n([C@H]3CCOC(C)(C)C3)c(=O)c2C1 ZINC000634621296 351548199 /nfs/dbraw/zinc/54/81/99/351548199.db2.gz DSZZWOUOWPKTNA-RDBSUJKOSA-N -1 1 292.423 3.215 20 0 CGADMM CC(C)c1c(Cc2ccccc2)[n-]n(C23CC(C2)C3)c1=O ZINC000634625040 351548984 /nfs/dbraw/zinc/54/89/84/351548984.db2.gz WYFYOPOYAYMEHE-HQVVEAJESA-N -1 1 282.387 3.252 20 0 CGADMM O=c1c2c([n-]n1Cc1cccc(Cl)c1Cl)CCC2 ZINC000634623950 351549438 /nfs/dbraw/zinc/54/94/38/351549438.db2.gz TWFGMCDCHOMLLL-VIFPVBQESA-N -1 1 283.158 3.492 20 0 CGADMM O=c1nc(CN2CCC3(CCC3)CC2)[n-]c2ccsc21 ZINC000367551432 234224911 /nfs/dbraw/zinc/22/49/11/234224911.db2.gz JRAPFGOCMIGDIX-UHFFFAOYSA-N -1 1 289.404 3.163 20 0 CGADMM CN(C(=O)c1ccc([O-])cc1F)[C@@H]1CCc2ccccc2C1 ZINC000154894335 188168077 /nfs/dbraw/zinc/16/80/77/188168077.db2.gz SFWUTXADZAZGPB-CQSZACIVSA-N -1 1 299.345 3.161 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2nnc(C(C)(C)C)s2)no1 ZINC000154545205 188149870 /nfs/dbraw/zinc/14/98/70/188149870.db2.gz UNFFCDFRWZLVCZ-UHFFFAOYSA-N -1 1 294.380 3.199 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCSC1 ZINC000336346295 213195130 /nfs/dbraw/zinc/19/51/30/213195130.db2.gz IFIQDRAAJVWGSE-QMMMGPOBSA-N -1 1 271.769 3.127 20 0 CGADMM CO[C@@H](CSc1nc(C(F)F)cc(=O)[n-]1)CC(C)C ZINC000416907830 235605863 /nfs/dbraw/zinc/60/58/63/235605863.db2.gz CFLBAXLGNAOKPK-MRVPVSSYSA-N -1 1 292.351 3.273 20 0 CGADMM Cc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1F ZINC000336343510 213192303 /nfs/dbraw/zinc/19/23/03/213192303.db2.gz HFYDRECRQJGSMS-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM C[C@H](N(C)C(=O)c1cc(F)ccc1[O-])C(C)(C)C ZINC000128642049 138394399 /nfs/dbraw/zinc/39/43/99/138394399.db2.gz IWVSDTCRJNZHHT-VIFPVBQESA-N -1 1 253.317 3.038 20 0 CGADMM Cc1ccc(CN(C(=O)c2cncc([O-])c2)C2CC2)cc1C ZINC000129967804 138398738 /nfs/dbraw/zinc/39/87/38/138398738.db2.gz AAYBRAXTPZPODF-UHFFFAOYSA-N -1 1 296.370 3.209 20 0 CGADMM O=C([O-])c1ccc(CNCc2ccc(F)cc2Cl)cc1 ZINC000426706471 236306996 /nfs/dbraw/zinc/30/69/96/236306996.db2.gz TZWLAEWJRGWMHO-UHFFFAOYSA-N -1 1 293.725 3.467 20 0 CGADMM CCCC[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000263410003 138571132 /nfs/dbraw/zinc/57/11/32/138571132.db2.gz LCHJWOXXWPCVFA-RTXFEEFZSA-N -1 1 265.353 3.136 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)[C@@H]2CCC[C@@H]21 ZINC000294722317 199151796 /nfs/dbraw/zinc/15/17/96/199151796.db2.gz LFNHWGPDDHLDQK-GXTWGEPZSA-N -1 1 277.339 3.182 20 0 CGADMM C[C@H]1Cc2ccccc2CN1C(=O)c1cc(F)ccc1[O-] ZINC000179614135 291165625 /nfs/dbraw/zinc/16/56/25/291165625.db2.gz KNUFIQALVNTWBM-NSHDSACASA-N -1 1 285.318 3.118 20 0 CGADMM O=C(NC1(C(F)F)CC1)c1ccc2ccccc2c1[O-] ZINC000436517655 237120200 /nfs/dbraw/zinc/12/02/00/237120200.db2.gz OXDMUUTUBOLDRA-UHFFFAOYSA-N -1 1 277.270 3.073 20 0 CGADMM O=C(NCc1ccc2ccccc2n1)c1cc(F)ccc1[O-] ZINC000436529909 237124101 /nfs/dbraw/zinc/12/41/01/237124101.db2.gz TUXMONKPMUKXNU-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM C[C@H](C[C@H]1CCCO1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436723946 237168288 /nfs/dbraw/zinc/16/82/88/237168288.db2.gz OVFKJYWOSKKZAA-TZMCWYRMSA-N -1 1 299.370 3.233 20 0 CGADMM O=C(Nc1ccc(F)c(C2CC2)c1)c1ccc(O)cc1[O-] ZINC000436740168 237169265 /nfs/dbraw/zinc/16/92/65/237169265.db2.gz PVNLPYIGADMGKQ-UHFFFAOYSA-N -1 1 287.290 3.367 20 0 CGADMM O=C(N[C@H]1CCc2c1cccc2F)c1c([O-])cccc1F ZINC000436943934 237216130 /nfs/dbraw/zinc/21/61/30/237216130.db2.gz HUKSLZSEWOMISJ-ZDUSSCGKSA-N -1 1 289.281 3.088 20 0 CGADMM C[C@H](c1ccco1)N(C(=O)c1ccc([O-])cc1F)C1CC1 ZINC000181907319 189309644 /nfs/dbraw/zinc/30/96/44/189309644.db2.gz SIHUQICEPNEGLS-SNVBAGLBSA-N -1 1 289.306 3.490 20 0 CGADMM Cn1nc(C2CCCC2)cc1NC(=O)c1ccccc1[O-] ZINC000182328901 189320784 /nfs/dbraw/zinc/32/07/84/189320784.db2.gz ZESHLJRKGGDWMO-UHFFFAOYSA-N -1 1 285.347 3.036 20 0 CGADMM Cc1ncoc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000335669936 212388796 /nfs/dbraw/zinc/38/87/96/212388796.db2.gz VSYAHXNDVARBDS-UHFFFAOYSA-N -1 1 272.638 3.167 20 0 CGADMM C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000019840073 368771927 /nfs/dbraw/zinc/77/19/27/368771927.db2.gz XUNQLLDFXKMAEZ-AOOOYVTPSA-N -1 1 267.756 3.164 20 0 CGADMM Cc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000047557398 369319167 /nfs/dbraw/zinc/31/91/67/369319167.db2.gz KVNJIOWBNDKEIP-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC1(Cl)Cl ZINC000129547506 370991784 /nfs/dbraw/zinc/99/17/84/370991784.db2.gz YCRANABVZBNNMJ-LURJTMIESA-N -1 1 280.538 3.178 20 0 CGADMM O=C([O-])CC[C@@H]1CCCCN1Cc1c(F)cccc1F ZINC000086755487 370021558 /nfs/dbraw/zinc/02/15/58/370021558.db2.gz WSHDYWIGSDYGLQ-NSHDSACASA-N -1 1 283.318 3.184 20 0 CGADMM CC(C)(C)[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000111776282 370408268 /nfs/dbraw/zinc/40/82/68/370408268.db2.gz AGUREBYLWATGOL-HNNXBMFYSA-N -1 1 284.359 3.304 20 0 CGADMM O=C(N[C@H]1CCCc2sccc21)c1cc(F)ccc1[O-] ZINC000132890496 371210398 /nfs/dbraw/zinc/21/03/98/371210398.db2.gz QUFWTXSIASUJIX-LBPRGKRZSA-N -1 1 291.347 3.400 20 0 CGADMM COc1cc(C(=O)N2[C@H](C)CC[C@H]2C)cc(Cl)c1[O-] ZINC000135174208 371398176 /nfs/dbraw/zinc/39/81/76/371398176.db2.gz UMXBGUSXPWWGDL-RKDXNWHRSA-N -1 1 283.755 3.067 20 0 CGADMM CC(C)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000134965654 371380062 /nfs/dbraw/zinc/38/00/62/371380062.db2.gz SLNBSGVHHAMEOJ-SNVBAGLBSA-N -1 1 267.756 3.164 20 0 CGADMM O=C(N[C@@H]1CCCSC1)c1cc2ccccc2cc1[O-] ZINC000135647072 371441792 /nfs/dbraw/zinc/44/17/92/371441792.db2.gz VQZYHORDSBEYIH-CYBMUJFWSA-N -1 1 287.384 3.171 20 0 CGADMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1c(F)ccc([O-])c1F ZINC000289644528 371781379 /nfs/dbraw/zinc/78/13/79/371781379.db2.gz XUIABBCONHYLPN-ZYHUDNBSSA-N -1 1 295.329 3.369 20 0 CGADMM CC[C@H](C)[C@@H](C)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153863195 371794480 /nfs/dbraw/zinc/79/44/80/371794480.db2.gz CZBNMXRHBOUZIH-DTWKUNHWSA-N -1 1 285.771 3.219 20 0 CGADMM Oc1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000289888208 371846278 /nfs/dbraw/zinc/84/62/78/371846278.db2.gz SPZTYNDORUMMMR-MRXNPFEDSA-N -1 1 272.323 3.263 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])cc2F)[C@@H]1C ZINC000154753375 371875111 /nfs/dbraw/zinc/87/51/11/371875111.db2.gz KGAQDQZSNSZJIP-RULNRJAQSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@H]1CCCC[C@@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000290331415 371965947 /nfs/dbraw/zinc/96/59/47/371965947.db2.gz KGRLZWQWLDABQZ-VHSXEESVSA-N -1 1 283.318 3.227 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cn(C)nc2C2CC2)c([O-])c1 ZINC000293000380 372275416 /nfs/dbraw/zinc/27/54/16/372275416.db2.gz ZDRFCIZKVGHRTC-UHFFFAOYSA-N -1 1 299.374 3.379 20 0 CGADMM CC[C@@H]1CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000294113410 372584457 /nfs/dbraw/zinc/58/44/57/372584457.db2.gz SKHIAMWGRGKEBI-CYBMUJFWSA-N -1 1 255.317 3.170 20 0 CGADMM C[C@@H](C1CC1)n1cc([N-]c2nc(C3CC3)ns2)cn1 ZINC000302485055 373878158 /nfs/dbraw/zinc/87/81/58/373878158.db2.gz YGOPTATUMUONIJ-QMMMGPOBSA-N -1 1 275.381 3.327 20 0 CGADMM COc1c(C)ccc(NC(=O)c2cc(F)ccc2[O-])c1C ZINC000179405627 373869357 /nfs/dbraw/zinc/86/93/57/373869357.db2.gz NHZBELGKKWIPKG-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000180018924 373954872 /nfs/dbraw/zinc/95/48/72/373954872.db2.gz UVIAWRQVVWZBCP-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=C([O-])[C@H]1CCCCN1Cc1cscc1C(F)(F)F ZINC000263380832 304180144 /nfs/dbraw/zinc/18/01/44/304180144.db2.gz BOSDRSKKYHIPGJ-SNVBAGLBSA-N -1 1 293.310 3.206 20 0 CGADMM O=C(Nc1cnc2ccccc2c1)c1ccc([O-])cc1F ZINC000181092753 374078312 /nfs/dbraw/zinc/07/83/12/374078312.db2.gz YPGZNCRDKPQDNV-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]2CCC[C@H]21 ZINC000336147254 296210095 /nfs/dbraw/zinc/21/00/95/296210095.db2.gz HRQKLHIASAONPM-JOYOIKCWSA-N -1 1 265.740 3.060 20 0 CGADMM C[C@@H](Cc1ccccc1F)NC(=O)c1ccc([O-])cc1F ZINC000181169078 374088341 /nfs/dbraw/zinc/08/83/41/374088341.db2.gz KOEYLOVQRYPOEQ-JTQLQIEISA-N -1 1 291.297 3.031 20 0 CGADMM C[C@H]1SCC[N@@H+](CCCCC(=O)[O-])[C@H]1c1ccccc1 ZINC000181566422 374141708 /nfs/dbraw/zinc/14/17/08/374141708.db2.gz QCQNMASVYOGGHA-CZUORRHYSA-N -1 1 293.432 3.420 20 0 CGADMM CC[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000334091423 206000918 /nfs/dbraw/zinc/00/09/18/206000918.db2.gz UPBDRFZTFWHVFM-JOYOIKCWSA-N -1 1 297.782 3.363 20 0 CGADMM CCC1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCCCC1 ZINC000184101480 374491291 /nfs/dbraw/zinc/49/12/91/374491291.db2.gz QOVHKOQVNDPGOS-UHFFFAOYSA-N -1 1 290.289 3.123 20 0 CGADMM CC1(c2nc(-c3ccc([O-])cc3F)no2)CCCC1 ZINC000331573549 374544847 /nfs/dbraw/zinc/54/48/47/374544847.db2.gz MFVAYBSJHOCOAL-UHFFFAOYSA-N -1 1 262.284 3.413 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2ncccc2[O-])CC12CCCCC2 ZINC000333748927 374617369 /nfs/dbraw/zinc/61/73/69/374617369.db2.gz MVYYYDDXKAXSCH-OAHLLOKOSA-N -1 1 288.391 3.218 20 0 CGADMM CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000185835358 374748967 /nfs/dbraw/zinc/74/89/67/374748967.db2.gz PMHIVJFXIIRXJH-LBPRGKRZSA-N -1 1 295.766 3.019 20 0 CGADMM CO[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1C ZINC000334533664 374829989 /nfs/dbraw/zinc/82/99/89/374829989.db2.gz QNZFMASIVPIEJI-MLGOLLRUSA-N -1 1 299.370 3.042 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H](C)c2cccc(OC)c2)n1 ZINC000187583607 375048336 /nfs/dbraw/zinc/04/83/36/375048336.db2.gz CINOYCQVNOBPFZ-VIFPVBQESA-N -1 1 292.360 3.058 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2ccc(F)cc2F)n1 ZINC000188095601 375157434 /nfs/dbraw/zinc/15/74/34/375157434.db2.gz QGVMCMPCJPISNI-QMMMGPOBSA-N -1 1 296.342 3.464 20 0 CGADMM O=C(CC1CC(F)(F)C1)Nc1ccc([O-])c(F)c1F ZINC000335215001 375234278 /nfs/dbraw/zinc/23/42/78/375234278.db2.gz 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/nfs/dbraw/zinc/35/30/91/376353091.db2.gz FSRGFJPJTRZXSU-UHFFFAOYSA-N -1 1 292.766 3.466 20 0 CGADMM CC(C)c1nc(=NC[C@]2(C)C[C@H]2c2ccccc2)o[n-]1 ZINC000338739797 376509608 /nfs/dbraw/zinc/50/96/08/376509608.db2.gz LIXIMVZMBGOEJA-BBRMVZONSA-N -1 1 271.364 3.221 20 0 CGADMM O=C(COc1cccc(Cl)c1)Nc1ccc(F)cc1[O-] ZINC000340332100 377007056 /nfs/dbraw/zinc/00/70/56/377007056.db2.gz IDFLDVMIQGSZOV-UHFFFAOYSA-N -1 1 295.697 3.202 20 0 CGADMM Cc1cnc(SCc2nc(C3CC3)cs2)[n-]c1=O ZINC000563439051 377465186 /nfs/dbraw/zinc/46/51/86/377465186.db2.gz KGPQYAYCRONFLP-UHFFFAOYSA-N -1 1 279.390 3.117 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000088718484 249027370 /nfs/dbraw/zinc/02/73/70/249027370.db2.gz BLLWKDFINWGKIR-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM C[C@@H]1CC[C@@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1 ZINC000516586114 249238801 /nfs/dbraw/zinc/23/88/01/249238801.db2.gz HLGHMOAZSSWILT-PSASIEDQSA-N -1 1 250.367 3.340 20 0 CGADMM CC[C@H](NCc1ccc(C(=O)[O-])cc1)c1nc(C)cs1 ZINC000263407059 377934092 /nfs/dbraw/zinc/93/40/92/377934092.db2.gz KFQVZOUXUMBRQZ-ZDUSSCGKSA-N -1 1 290.388 3.391 20 0 CGADMM Cc1cc2cc(CN3CCC[C@@H]3C(=O)[O-])oc2cc1C ZINC000263437502 377935693 /nfs/dbraw/zinc/93/56/93/377935693.db2.gz VDJKWUXBCVADBO-CQSZACIVSA-N -1 1 273.332 3.099 20 0 CGADMM CC[C@@H](CC(=O)Nc1nc(SC)n[nH]1)c1ccccc1 ZINC000264168201 377959902 /nfs/dbraw/zinc/95/99/02/377959902.db2.gz VBXKVPLGLVXCAX-JTQLQIEISA-N -1 1 290.392 3.049 20 0 CGADMM Cc1ccc(C(C)(C)CNC(=O)c2cncc([O-])c2)c(C)c1 ZINC000343486852 377993345 /nfs/dbraw/zinc/99/33/45/377993345.db2.gz XRGDWUADPYRUCJ-UHFFFAOYSA-N -1 1 298.386 3.112 20 0 CGADMM Cc1cc(F)ccc1CN(C)Cc1occc1C(=O)[O-] ZINC000579842763 378202139 /nfs/dbraw/zinc/20/21/39/378202139.db2.gz OFWHBDVUEUZKAK-UHFFFAOYSA-N -1 1 277.295 3.057 20 0 CGADMM CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H](CC(C)C)C2)n1 ZINC000345857053 378388627 /nfs/dbraw/zinc/38/86/27/378388627.db2.gz AVVBGNBHXXGRJM-CYBMUJFWSA-N -1 1 277.412 3.003 20 0 CGADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cncs1 ZINC000346560736 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291.734 3.336 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1CC2CCC1CC2 ZINC000645926966 380780970 /nfs/dbraw/zinc/78/09/70/380780970.db2.gz YSAVSYJYDVKPCM-ILDUYXDCSA-N -1 1 263.312 3.296 20 0 CGADMM CN(C(=O)c1ccc(Br)cc1[O-])C(C)(C)C ZINC000334799395 207096807 /nfs/dbraw/zinc/09/68/07/207096807.db2.gz AJKPCMVDZGYTPV-UHFFFAOYSA-N -1 1 286.169 3.025 20 0 CGADMM CN(C(=O)c1ccc2ccccc2c1[O-])C(C)(C)C ZINC000334799688 207097153 /nfs/dbraw/zinc/09/71/53/207097153.db2.gz MYNLSERJSNRLPG-UHFFFAOYSA-N -1 1 257.333 3.416 20 0 CGADMM Cc1cc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)no1 ZINC000358827271 381327443 /nfs/dbraw/zinc/32/74/43/381327443.db2.gz HWBOMPBEMVSCMC-UHFFFAOYSA-N -1 1 269.304 3.422 20 0 CGADMM C[C@@H](CCc1ccco1)NC(=O)c1c(F)ccc([O-])c1F ZINC000289088089 197230896 /nfs/dbraw/zinc/23/08/96/197230896.db2.gz LBOAZQXWJOHGCP-VIFPVBQESA-N -1 1 295.285 3.015 20 0 CGADMM Cc1cc(C)nc(SCC(=O)c2ccc([O-])cc2)c1 ZINC000229856742 542302243 /nfs/dbraw/zinc/30/22/43/542302243.db2.gz ZCYHPSQOZLESOO-UHFFFAOYSA-N -1 1 273.357 3.379 20 0 CGADMM CC(C)C[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000281035503 195077403 /nfs/dbraw/zinc/07/74/03/195077403.db2.gz VTTFYHOYBYWODD-JTQLQIEISA-N -1 1 283.318 3.179 20 0 CGADMM Cc1noc(C)c1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000335342450 208235347 /nfs/dbraw/zinc/23/53/47/208235347.db2.gz UQBYSZHBLPETGA-UHFFFAOYSA-N -1 1 281.699 3.294 20 0 CGADMM CCCc1nc(C(=O)Nc2ccc(Cl)cc2[O-])co1 ZINC000353871021 220380608 /nfs/dbraw/zinc/38/06/08/220380608.db2.gz ONSISLGBMQJQDR-UHFFFAOYSA-N -1 1 280.711 3.238 20 0 CGADMM CC(C)CC[C@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000288383305 197063505 /nfs/dbraw/zinc/06/35/05/197063505.db2.gz YGOWRXJFCHWILA-CQSZACIVSA-N -1 1 289.375 3.002 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000335943368 542473022 /nfs/dbraw/zinc/47/30/22/542473022.db2.gz OCYVAGNUQHPLHD-JGVFFNPUSA-N -1 1 291.244 3.448 20 0 CGADMM O=c1[n-]c(-c2c[nH]c3ccccc23)nc2ccc(O)cc12 ZINC000351854739 542551849 /nfs/dbraw/zinc/55/18/49/542551849.db2.gz 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ZINC000445476213 393799274 /nfs/dbraw/zinc/79/92/74/393799274.db2.gz ZUWMUUPNCAYTCD-ZZXKWVIFSA-N -1 1 283.262 3.147 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\c3ccco3)n2)cc1F ZINC000445485708 393800145 /nfs/dbraw/zinc/80/01/45/393800145.db2.gz CDZOEWMPXHLIBB-XQRVVYSFSA-N -1 1 272.235 3.345 20 0 CGADMM Cc1ccccc1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445484967 393800180 /nfs/dbraw/zinc/80/01/80/393800180.db2.gz ZEMPBHZXMDALOH-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM O=C(NCC1(C2CCC2)CCC1)c1ccc([O-])cc1F ZINC000457166526 394323445 /nfs/dbraw/zinc/32/34/45/394323445.db2.gz WRBIVRMTHRSNOR-UHFFFAOYSA-N -1 1 277.339 3.232 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2csc(CC)n2)n1 ZINC000667841899 542936140 /nfs/dbraw/zinc/93/61/40/542936140.db2.gz PNKNQOQETJIQAV-UHFFFAOYSA-N -1 1 295.433 3.446 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1ncc2ccccc2c1[O-] ZINC000668219318 542991735 /nfs/dbraw/zinc/99/17/35/542991735.db2.gz ISENAYSLKFYABV-TXEJJXNPSA-N -1 1 284.359 3.344 20 0 CGADMM CN(CC1(c2ccccc2)CC1)C(=O)c1ccc([O-])c(F)c1 ZINC000673131192 543234968 /nfs/dbraw/zinc/23/49/68/543234968.db2.gz NHVOKBMBEATHRF-UHFFFAOYSA-N -1 1 299.345 3.335 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000111250354 397654897 /nfs/dbraw/zinc/65/48/97/397654897.db2.gz UDYGWEVNWXUIFS-GWCFXTLKSA-N -1 1 279.767 3.450 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000047215245 397631047 /nfs/dbraw/zinc/63/10/47/397631047.db2.gz XBXUGAYMGQRZOZ-UHFFFAOYSA-N -1 1 275.373 3.413 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2C)c(C)c1 ZINC000650490522 397858245 /nfs/dbraw/zinc/85/82/45/397858245.db2.gz XQCQLBCTICKXJE-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc(C2CC2)cn1 ZINC000674851320 543299310 /nfs/dbraw/zinc/29/93/10/543299310.db2.gz WWBHMCNDDPLMOI-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000674709892 543294300 /nfs/dbraw/zinc/29/43/00/543294300.db2.gz IOBOFPLMMCFVQD-UHFFFAOYSA-N -1 1 281.377 3.146 20 0 CGADMM O=C([O-])c1ccc(Br)c(CN2CCCCC2)c1 ZINC000675072791 543313030 /nfs/dbraw/zinc/31/30/30/543313030.db2.gz HRNBYPOZVRBOBP-UHFFFAOYSA-N -1 1 298.180 3.133 20 0 CGADMM C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000675415812 543338224 /nfs/dbraw/zinc/33/82/24/543338224.db2.gz KLDVKZYBMIMOLL-OLZOCXBDSA-N -1 1 299.370 3.090 20 0 CGADMM CCCCn1ncc(C(=O)Nc2c([O-])cccc2F)c1C ZINC000676446911 543397955 /nfs/dbraw/zinc/39/79/55/543397955.db2.gz GOSNMMZBOGJCCN-UHFFFAOYSA-N -1 1 291.326 3.089 20 0 CGADMM O=C(Nc1cccc(-c2cnco2)c1)c1cc(F)ccc1[O-] ZINC000081944232 165168886 /nfs/dbraw/zinc/16/88/86/165168886.db2.gz VXSWWGFFFDFQBT-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1Cc2ccccc21 ZINC000090984989 165249983 /nfs/dbraw/zinc/24/99/83/165249983.db2.gz DYLOOUWSDSNXDP-GFCCVEGCSA-N -1 1 273.719 3.324 20 0 CGADMM CC1(NC(=O)c2ccc(Cl)cc2[O-])CCCC1 ZINC000112703340 287144164 /nfs/dbraw/zinc/14/41/64/287144164.db2.gz MWORDTRDNUZMFM-UHFFFAOYSA-N -1 1 253.729 3.108 20 0 CGADMM CN(C(=O)c1ccc(Cl)cc1[O-])C(C1CC1)C1CC1 ZINC000122975429 287214592 /nfs/dbraw/zinc/21/45/92/287214592.db2.gz XLHCDUPBPLRBQE-UHFFFAOYSA-N -1 1 279.767 3.306 20 0 CGADMM CCCc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000007055767 170264446 /nfs/dbraw/zinc/26/44/46/170264446.db2.gz JXGNFKROLJAYLO-UHFFFAOYSA-N -1 1 275.373 3.440 20 0 CGADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(Cl)cc1[O-] ZINC000124686339 287235984 /nfs/dbraw/zinc/23/59/84/287235984.db2.gz FPNANXQGYCLEPE-GXSJLCMTSA-N -1 1 267.756 3.449 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccccc2Cl)n1 ZINC000009941002 170391310 /nfs/dbraw/zinc/39/13/10/170391310.db2.gz TWADQXCUGSOPTL-UHFFFAOYSA-N -1 1 280.780 3.278 20 0 CGADMM O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1[O-] ZINC000022066292 171352228 /nfs/dbraw/zinc/35/22/28/171352228.db2.gz WDXJLGYJSHEOCW-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM C[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000071380356 176144983 /nfs/dbraw/zinc/14/49/83/176144983.db2.gz DCCRQYLUYPHZLM-SECBINFHSA-N -1 1 279.723 3.482 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000049524879 416473844 /nfs/dbraw/zinc/47/38/44/416473844.db2.gz GNOWLXUMRFUXLJ-UHFFFAOYSA-N -1 1 275.373 3.358 20 0 CGADMM C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000311445365 416532190 /nfs/dbraw/zinc/53/21/90/416532190.db2.gz JZMSWPXNTSNLPO-KOLCDFICSA-N -1 1 285.746 3.022 20 0 CGADMM CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])[C@@H](CC)CO1 ZINC000403954680 416549842 /nfs/dbraw/zinc/54/98/42/416549842.db2.gz ZHWWUOPBZPUYES-NWDGAFQWSA-N -1 1 297.782 3.075 20 0 CGADMM Cc1nn(C(C)(C)C)cc1C(=O)Nc1c([O-])cccc1F ZINC000680217707 543691925 /nfs/dbraw/zinc/69/19/25/543691925.db2.gz RDYVUIVVHYGVEU-UHFFFAOYSA-N -1 1 291.326 3.044 20 0 CGADMM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([O-])c(F)c1 ZINC000681014956 543756628 /nfs/dbraw/zinc/75/66/28/543756628.db2.gz ULQUBIWYIZGQAK-SNVBAGLBSA-N -1 1 271.291 3.123 20 0 CGADMM C[C@@H](c1ccco1)N(C(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000681020539 543757934 /nfs/dbraw/zinc/75/79/34/543757934.db2.gz FNJQDERNOHFBHP-JTQLQIEISA-N -1 1 289.306 3.490 20 0 CGADMM O=C(Nc1ccc2ncsc2c1)c1ccc([O-])c(F)c1 ZINC000681019004 543757980 /nfs/dbraw/zinc/75/79/80/543757980.db2.gz BUIWTJHRBQMBHY-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681021281 543758770 /nfs/dbraw/zinc/75/87/70/543758770.db2.gz SJKMOFKOXHLUBR-GHMZBOCLSA-N -1 1 265.328 3.087 20 0 CGADMM CC[C@H]1CCCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681049339 543760324 /nfs/dbraw/zinc/76/03/24/543760324.db2.gz ZHVXJQIZIYKZPW-LBPRGKRZSA-N -1 1 265.328 3.326 20 0 CGADMM Cc1ccc2c(c1)N(C(=O)c1ccc([O-])c(F)c1)CCC2 ZINC000681044720 543760815 /nfs/dbraw/zinc/76/08/15/543760815.db2.gz KSVBTNVQOPNUOI-UHFFFAOYSA-N -1 1 285.318 3.433 20 0 CGADMM CCc1ccc(C(=O)N2CCc3c2cccc3C)c([O-])c1 ZINC000682482753 543849193 /nfs/dbraw/zinc/84/91/93/543849193.db2.gz MBFMEQFLCHYTNI-UHFFFAOYSA-N -1 1 281.355 3.466 20 0 CGADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000682813117 543870806 /nfs/dbraw/zinc/87/08/06/543870806.db2.gz DNNYJGQOZYRHRB-GMTAPVOTSA-N -1 1 265.328 3.038 20 0 CGADMM O=C([O-])c1cccc(CNCc2cc(F)c(F)c(F)c2)c1 ZINC000683176821 543901639 /nfs/dbraw/zinc/90/16/39/543901639.db2.gz SLJLUNPBTHGGRB-UHFFFAOYSA-N -1 1 295.260 3.092 20 0 CGADMM Cc1ccc(F)c(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000683176812 543901746 /nfs/dbraw/zinc/90/17/46/543901746.db2.gz SEYAHDHHMPXBER-UHFFFAOYSA-N -1 1 273.307 3.122 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CC34CCC4)n2)c(F)c1 ZINC000683591843 543927872 /nfs/dbraw/zinc/92/78/72/543927872.db2.gz CKFSPUXGGQLYBH-JTQLQIEISA-N -1 1 260.268 3.239 20 0 CGADMM Cc1nc2cc(C(=O)Nc3c([O-])cccc3F)ccc2o1 ZINC000684293913 543979542 /nfs/dbraw/zinc/97/95/42/543979542.db2.gz UISHPKPVDYCVDY-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000684875594 544034873 /nfs/dbraw/zinc/03/48/73/544034873.db2.gz KNDSWUSDABVWNN-GHMZBOCLSA-N -1 1 299.292 3.283 20 0 CGADMM O=C(Nc1nccs1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870672 544035188 /nfs/dbraw/zinc/03/51/88/544035188.db2.gz IPBPSHFVQXKUPI-UHFFFAOYSA-N -1 1 288.250 3.120 20 0 CGADMM O=C(NCc1ccoc1)c1ccc2ccccc2c1[O-] ZINC000132338772 287401594 /nfs/dbraw/zinc/40/15/94/287401594.db2.gz UXSBTJYRWKYNJR-UHFFFAOYSA-N -1 1 267.284 3.068 20 0 CGADMM COc1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)cc(Cl)c1[O-] ZINC000135154643 287462484 /nfs/dbraw/zinc/46/24/84/287462484.db2.gz IGJLGQOKUMXINZ-ZJUUUORDSA-N -1 1 297.782 3.315 20 0 CGADMM COc1cc(C(=O)N2C[C@@H](C)CC[C@@H]2C)cc(Cl)c1[O-] ZINC000135154660 287462490 /nfs/dbraw/zinc/46/24/90/287462490.db2.gz IGJLGQOKUMXINZ-UWVGGRQHSA-N -1 1 297.782 3.315 20 0 CGADMM CCCCc1nc(CN(CCC(=O)[O-])CC2CC2)cs1 ZINC000652467902 418972013 /nfs/dbraw/zinc/97/20/13/418972013.db2.gz NTPXIZZBBNZQJB-UHFFFAOYSA-N -1 1 296.436 3.172 20 0 CGADMM C[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)C1CCCC1 ZINC000654307867 418959358 /nfs/dbraw/zinc/95/93/58/418959358.db2.gz GUAYXBOTSPKPHZ-MRVPVSSYSA-N -1 1 269.291 3.435 20 0 CGADMM CC(F)(F)CCC(=O)Nc1ccc([O-])c(F)c1F ZINC000654308869 418959941 /nfs/dbraw/zinc/95/99/41/418959941.db2.gz HWAMOEHPVLIMCI-UHFFFAOYSA-N -1 1 265.206 3.044 20 0 CGADMM Cc1ccc([C@H](C)N(C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000652388678 418960127 /nfs/dbraw/zinc/96/01/27/418960127.db2.gz RTZCPXWRMFWQQE-LBPRGKRZSA-N -1 1 273.332 3.479 20 0 CGADMM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000652758338 418989921 /nfs/dbraw/zinc/98/99/21/418989921.db2.gz RTVQWTQIDVMRGC-TVQRCGJNSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1ccc(CN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)nc1 ZINC000659794013 418993561 /nfs/dbraw/zinc/99/35/61/418993561.db2.gz GZKCYFJEJOYVJO-DLBZAZTESA-N -1 1 296.370 3.180 20 0 CGADMM CC(C)C[C@H](C[NH2+]Cc1cccc([O-])c1Cl)CC(=O)[O-] ZINC000665352434 419115593 /nfs/dbraw/zinc/11/55/93/419115593.db2.gz IPRNHSZRDRZOCM-NSHDSACASA-N -1 1 299.798 3.272 20 0 CGADMM CC[C@@H]1CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000666302147 419206591 /nfs/dbraw/zinc/20/65/91/419206591.db2.gz KAMGNVPMYTWECQ-GFCCVEGCSA-N -1 1 284.359 3.203 20 0 CGADMM O=C(NCc1nccc2ccccc21)c1c([O-])cccc1F ZINC000185249486 262303774 /nfs/dbraw/zinc/30/37/74/262303774.db2.gz ZYKHLQBZSJKLDO-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM O=C(NCC1CCCC1)c1cc(Br)ccc1[O-] ZINC000037176269 270028844 /nfs/dbraw/zinc/02/88/44/270028844.db2.gz CSWKQBWLURSBRM-UHFFFAOYSA-N -1 1 298.180 3.075 20 0 CGADMM CCCCCNC(=O)c1ccc(Br)cc1[O-] ZINC000044490292 270035695 /nfs/dbraw/zinc/03/56/95/270035695.db2.gz IWSQKISHZKJFFY-UHFFFAOYSA-N -1 1 286.169 3.075 20 0 CGADMM CC[C@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC000228836998 270087837 /nfs/dbraw/zinc/08/78/37/270087837.db2.gz UCBNXGPNMROHHQ-CMPLNLGQSA-N -1 1 265.328 3.230 20 0 CGADMM COc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1Cl ZINC000228673306 270088087 /nfs/dbraw/zinc/08/80/87/270088087.db2.gz GYWUMOLXVJOCNG-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM Cc1ccnc(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000328295662 270095107 /nfs/dbraw/zinc/09/51/07/270095107.db2.gz STCGKOLWHQBIRI-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN1CCOC[C@@H]1CC(C)C ZINC000520824325 270099154 /nfs/dbraw/zinc/09/91/54/270099154.db2.gz UQWGOFMOMLXHOB-ZDUSSCGKSA-N -1 1 297.420 3.002 20 0 CGADMM CCC[C@@H](CN=c1[n-]c(C(F)(F)F)cs1)OCC ZINC000528086612 270154009 /nfs/dbraw/zinc/15/40/09/270154009.db2.gz SRKQWAZMHCUDNT-QMMMGPOBSA-N -1 1 282.331 3.201 20 0 CGADMM CCC[C@H](OCC)c1nc(-c2ccc([O-])cc2F)no1 ZINC000528165695 270156298 /nfs/dbraw/zinc/15/62/98/270156298.db2.gz DDKJQCOGYVRFFS-LBPRGKRZSA-N -1 1 280.299 3.459 20 0 CGADMM O=C(/C=C\c1cc2ccccc2o1)[N-]O[C@H]1CCCCO1 ZINC000255568680 287872411 /nfs/dbraw/zinc/87/24/11/287872411.db2.gz IULUCILVQSSBAC-QWGSZXSUSA-N -1 1 287.315 3.020 20 0 CGADMM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000339923171 277363421 /nfs/dbraw/zinc/36/34/21/277363421.db2.gz KZRVGXGDGXRGAJ-WFASDCNBSA-N -1 1 276.380 3.122 20 0 CGADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])CC(F)(F)F ZINC000397044544 288020770 /nfs/dbraw/zinc/02/07/70/288020770.db2.gz NPDYWDFGRJOGEC-SSDOTTSWSA-N -1 1 295.688 3.364 20 0 CGADMM C[C@H](N=c1ccc(N2CCC[C@@H]2C)n[n-]1)c1ccccc1 ZINC000425230329 278232872 /nfs/dbraw/zinc/23/28/72/278232872.db2.gz LSQLUOLZNUZDRW-KBPBESRZSA-N -1 1 282.391 3.060 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@@H]2CCCC[C@H]2C1 ZINC000176092567 280183926 /nfs/dbraw/zinc/18/39/26/280183926.db2.gz FKFAAOJLTBNXOV-QWRGUYRKSA-N -1 1 279.767 3.308 20 0 CGADMM CC(C)[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000561986954 289665231 /nfs/dbraw/zinc/66/52/31/289665231.db2.gz OCBKJCOZFXGASB-SNVBAGLBSA-N -1 1 283.318 3.179 20 0 CGADMM FC(F)(F)c1nc(=N[C@@H]2CCC23CCCC3)s[n-]1 ZINC000343209578 303120407 /nfs/dbraw/zinc/12/04/07/303120407.db2.gz WGGJXCAPNLIDCZ-SSDOTTSWSA-N -1 1 277.315 3.114 20 0 CGADMM Cc1cnc(SC[C@@H]2C[C@H]2c2ccccc2)[n-]c1=O ZINC000580330739 327837899 /nfs/dbraw/zinc/83/78/99/327837899.db2.gz SNPVAIGRDKUSIL-STQMWFEESA-N -1 1 272.373 3.386 20 0 CGADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc([O-])cc2F)C1 ZINC000154943331 321753849 /nfs/dbraw/zinc/75/38/49/321753849.db2.gz XRBMRQXEJGKJFN-PWSUYJOCSA-N -1 1 297.395 3.278 20 0 CGADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(Cl)cc1[O-] ZINC000161720945 321872627 /nfs/dbraw/zinc/87/26/27/321872627.db2.gz HDVZKGFCQKSQHH-IUCAKERBSA-N -1 1 253.729 3.059 20 0 CGADMM O=C([O-])[C@H](c1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000564575710 322034819 /nfs/dbraw/zinc/03/48/19/322034819.db2.gz GRWKENBTUNGVAW-ZFWWWQNUSA-N -1 1 271.316 3.242 20 0 CGADMM CCC[C@H](C)S(=O)(=O)[N-]c1cc(C)cc2cccnc21 ZINC000565056011 322057829 /nfs/dbraw/zinc/05/78/29/322057829.db2.gz OSILVBPMLOYAHS-LBPRGKRZSA-N -1 1 292.404 3.474 20 0 CGADMM O=C([O-])[C@H](c1ccsc1)N1CCc2ccc(F)cc2C1 ZINC000565106341 322060952 /nfs/dbraw/zinc/06/09/52/322060952.db2.gz WUROSAVECQOYKI-AWEZNQCLSA-N -1 1 291.347 3.071 20 0 CGADMM CCc1nc(SCCOc2ccccc2)[n-]c(=O)c1C ZINC000565431528 322078044 /nfs/dbraw/zinc/07/80/44/322078044.db2.gz JMBXNCSUUJNWAK-UHFFFAOYSA-N -1 1 290.388 3.224 20 0 CGADMM CC(C)n1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000565633763 322084783 /nfs/dbraw/zinc/08/47/83/322084783.db2.gz FYMBKRYOXQPRBB-UHFFFAOYSA-N -1 1 294.742 3.467 20 0 CGADMM CCCCc1noc([C@H](C)Sc2ncc(C)c(=O)[n-]2)n1 ZINC000566498160 322127150 /nfs/dbraw/zinc/12/71/50/322127150.db2.gz BPXBDSHOPBRNAB-VIFPVBQESA-N -1 1 294.380 3.070 20 0 CGADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCc2ccsc2C1 ZINC000570729159 322280870 /nfs/dbraw/zinc/28/08/70/322280870.db2.gz DJCAQILIJZUAGQ-SECBINFHSA-N -1 1 277.345 3.159 20 0 CGADMM CC(C)([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C1CC1 ZINC000571034719 322287943 /nfs/dbraw/zinc/28/79/43/322287943.db2.gz BTLWUGASKHYLJE-UHFFFAOYSA-N -1 1 297.351 3.039 20 0 CGADMM C[C@@H]1[C@H](C)SCCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000571053438 322288876 /nfs/dbraw/zinc/28/88/76/322288876.db2.gz KXGCYAXDINBSGO-ZJUUUORDSA-N -1 1 299.823 3.364 20 0 CGADMM O=C([O-])c1cc(CN2CCc3ccccc3C2)cs1 ZINC000571767632 322307497 /nfs/dbraw/zinc/30/74/97/322307497.db2.gz CBMQZCUECNYJLK-UHFFFAOYSA-N -1 1 273.357 3.005 20 0 CGADMM O=S(=O)(CCC1CCCC1)[N-]c1ccc(Cl)cn1 ZINC000572472414 322338831 /nfs/dbraw/zinc/33/88/31/322338831.db2.gz ARPMGYVAZVDUAL-UHFFFAOYSA-N -1 1 288.800 3.057 20 0 CGADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000580511900 331307910 /nfs/dbraw/zinc/30/79/10/331307910.db2.gz NMRIOUTYPIJTPO-JTQLQIEISA-N -1 1 291.800 3.366 20 0 CGADMM CC(C)c1scnc1NC(=O)c1ccccc1[O-] ZINC000576734674 335241221 /nfs/dbraw/zinc/24/12/21/335241221.db2.gz CCNILVGTGMIDCN-UHFFFAOYSA-N -1 1 262.334 3.224 20 0 CGADMM CCc1onc(C)c1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350842820 335538863 /nfs/dbraw/zinc/53/88/63/335538863.db2.gz YSSRIIQRHHIBAO-UHFFFAOYSA-N -1 1 289.266 3.107 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)[C@H]1CC2CCC1CC2 ZINC000381548411 336068258 /nfs/dbraw/zinc/06/82/58/336068258.db2.gz UBPYAPBKBMBDIK-TVRADYJESA-N -1 1 291.366 3.476 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H](C)[C@@H]2CC3CCC2CC3)s[n-]1 ZINC000381924547 336077790 /nfs/dbraw/zinc/07/77/90/336077790.db2.gz OQSMMLQTLYHCRK-KRDKVTMHSA-N -1 1 295.452 3.294 20 0 CGADMM Cc1cc2cc(CNC(=O)c3c([O-])cccc3F)ccc2[nH]1 ZINC000436711836 534090560 /nfs/dbraw/zinc/09/05/60/534090560.db2.gz LEWFNPRWJDLHDV-UHFFFAOYSA-N -1 1 298.317 3.251 20 0 CGADMM O=C(NCCc1cccc(Cl)c1)c1c([O-])cccc1F ZINC000436942247 534466399 /nfs/dbraw/zinc/46/63/99/534466399.db2.gz HMNLOAWXVCOKGD-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM CCOC[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000081467755 520179282 /nfs/dbraw/zinc/17/92/82/520179282.db2.gz UOHBLRVFGOPRHE-ZDUSSCGKSA-N -1 1 299.370 3.044 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](c2ccco2)C1 ZINC000369236536 534659496 /nfs/dbraw/zinc/65/94/96/534659496.db2.gz OJTJKAVJHCWHKK-SNVBAGLBSA-N -1 1 291.734 3.268 20 0 CGADMM O=C(N[C@@H]1CC[C@H](F)C1)c1ccc2ccccc2c1[O-] ZINC000436743587 534767018 /nfs/dbraw/zinc/76/70/18/534767018.db2.gz HOGFICYJNDCBIY-NWDGAFQWSA-N -1 1 273.307 3.166 20 0 CGADMM O=C(NC1(c2ccc(F)cc2)CC1)c1c([O-])cccc1F ZINC000436518456 534785131 /nfs/dbraw/zinc/78/51/31/534785131.db2.gz YBGLMVURZXUXCQ-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM O=C(N[C@H](c1ccccc1)C(F)F)c1cc(F)ccc1[O-] ZINC000436886018 534794783 /nfs/dbraw/zinc/79/47/83/534794783.db2.gz JGAYPUYCCGLBMU-CYBMUJFWSA-N -1 1 295.260 3.268 20 0 CGADMM CN(C[C@@H]1CCCOC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000107065933 536428263 /nfs/dbraw/zinc/42/82/63/536428263.db2.gz JJPYJFCOWSWDDP-ZDUSSCGKSA-N -1 1 299.370 3.044 20 0 CGADMM CC(C)(C)c1cc(CN2CCCC[C@H]2CCC(=O)[O-])no1 ZINC000424262099 526754567 /nfs/dbraw/zinc/75/45/67/526754567.db2.gz PZWNIEVZZIFIDP-ZDUSSCGKSA-N -1 1 294.395 3.191 20 0 CGADMM CC(C)[C@H]1CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436689423 527805662 /nfs/dbraw/zinc/80/56/62/527805662.db2.gz NXGLIOJYDQGVND-OAHLLOKOSA-N -1 1 269.344 3.416 20 0 CGADMM CCOc1cc(C(=O)NC[C@@H]2CC2(C)C)cc(Cl)c1[O-] ZINC000358149284 528226004 /nfs/dbraw/zinc/22/60/04/528226004.db2.gz ZCTWCNVIXYBVBT-JTQLQIEISA-N -1 1 297.782 3.220 20 0 CGADMM CC(C)N(C(=O)c1ccc(Cl)cc1[O-])C1CCC1 ZINC000436564789 528787811 /nfs/dbraw/zinc/78/78/11/528787811.db2.gz SVKMWSRUWYNHGC-UHFFFAOYSA-N -1 1 267.756 3.449 20 0 CGADMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCC1 ZINC000436754407 529081162 /nfs/dbraw/zinc/08/11/62/529081162.db2.gz YPNGONALQKBEGH-UHFFFAOYSA-N -1 1 287.281 3.426 20 0 CGADMM CCS[C@@H](C)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000436947223 529203535 /nfs/dbraw/zinc/20/35/35/529203535.db2.gz UIQYAQLYTOWUQR-ZETCQYMHSA-N -1 1 268.313 3.395 20 0 CGADMM CC(C)C[C@H](C)OC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000729081582 571868726 /nfs/dbraw/zinc/86/87/26/571868726.db2.gz JTFBXYBFRSJLDN-JTQLQIEISA-N -1 1 262.309 3.261 20 0 CGADMM C/C=C\COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360541 572346075 /nfs/dbraw/zinc/34/60/75/572346075.db2.gz KCANYSBTEGBDLE-IHWYPQMZSA-N -1 1 261.104 3.432 20 0 CGADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1C[C@H](C)CCC[C@H]1C ZINC000738287122 572369788 /nfs/dbraw/zinc/36/97/88/572369788.db2.gz AIUUMJGGWQUSPP-NXEZZACHSA-N -1 1 299.802 3.011 20 0 CGADMM O=C([O-])C1(NCc2nc3ccccc3s2)CCCCC1 ZINC000739519584 572418688 /nfs/dbraw/zinc/41/86/88/572418688.db2.gz JETSRMUJNVVHRW-UHFFFAOYSA-N -1 1 290.388 3.173 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)C(C)(C)C)c1 ZINC000745045658 572790761 /nfs/dbraw/zinc/79/07/61/572790761.db2.gz DHNAWVAMHDBCHG-NSHDSACASA-N -1 1 292.375 3.363 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000745189397 572805383 /nfs/dbraw/zinc/80/53/83/572805383.db2.gz MQRBRVAPLWFJPU-SNVBAGLBSA-N -1 1 267.756 3.308 20 0 CGADMM COC(=O)c1ccc(/C=C\c2cc(F)c([O-])c(F)c2)nc1 ZINC000749892064 573052619 /nfs/dbraw/zinc/05/26/19/573052619.db2.gz RHHKXBPKCCWWQU-RQOWECAXSA-N -1 1 291.253 3.022 20 0 CGADMM O=C([O-])c1ccc(CNCc2cscc2Cl)cc1 ZINC000819683673 597303356 /nfs/dbraw/zinc/30/33/56/597303356.db2.gz HJYRNAPWFMXGJN-UHFFFAOYSA-N -1 1 281.764 3.390 20 0 CGADMM CN(Cc1cccc(F)c1)Cc1ccc(F)cc1C(=O)[O-] ZINC000071264708 600082091 /nfs/dbraw/zinc/08/20/91/600082091.db2.gz NURDPQFJMVCZPT-UHFFFAOYSA-N -1 1 291.297 3.295 20 0 CGADMM C[C@@H](c1cc(F)ccc1F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405364931 600293720 /nfs/dbraw/zinc/29/37/20/600293720.db2.gz SWVHLQDODITIRQ-GXFFZTMASA-N -1 1 295.329 3.213 20 0 CGADMM C[C@H]1CN(Cc2occc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000828463588 601044898 /nfs/dbraw/zinc/04/48/98/601044898.db2.gz RHZUNBFZGJNRCG-XHDPSFHLSA-N -1 1 271.316 3.171 20 0 CGADMM C[C@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC000251632508 601499505 /nfs/dbraw/zinc/49/95/05/601499505.db2.gz FMDGHRLXTAYMJG-GZMMTYOYSA-N -1 1 288.174 3.146 20 0 CGADMM CCCc1c(C)[n-]n(-c2c(F)cc(F)cc2F)c1=O ZINC000899361768 620667476 /nfs/dbraw/zinc/66/74/76/620667476.db2.gz CMGHQMGJNCMCLE-SECBINFHSA-N -1 1 270.254 3.243 20 0 CGADMM C[C@H]1CN(Cc2cccc(Cl)c2Cl)C[C@H]1C(=O)[O-] ZINC000251662281 604670308 /nfs/dbraw/zinc/67/03/08/604670308.db2.gz GXSOPYBQFYWEBZ-WCBMZHEXSA-N -1 1 288.174 3.146 20 0 CGADMM CC(C)(NCc1occc1C(=O)[O-])c1cccc(F)c1 ZINC000833460938 605142025 /nfs/dbraw/zinc/14/20/25/605142025.db2.gz PTKNWQMFOHPICV-UHFFFAOYSA-N -1 1 277.295 3.142 20 0 CGADMM O=C([O-])NC1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000834188747 605484413 /nfs/dbraw/zinc/48/44/13/605484413.db2.gz BRNVGIXJZSEZOR-UPHRSURJSA-N -1 1 294.782 3.085 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833828468 605886660 /nfs/dbraw/zinc/88/66/60/605886660.db2.gz DVSOTFCGPPKJFM-VWYCJHECSA-N -1 1 298.333 3.004 20 0 CGADMM CC[C@H](C)CSc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820870682 606799404 /nfs/dbraw/zinc/79/94/04/606799404.db2.gz XEOVNSZQKTUXQI-ZETCQYMHSA-N -1 1 283.788 3.053 20 0 CGADMM CC[C@H](C)CSc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820870682 606799406 /nfs/dbraw/zinc/79/94/06/606799406.db2.gz XEOVNSZQKTUXQI-ZETCQYMHSA-N -1 1 283.788 3.053 20 0 CGADMM Cc1cc(Oc2cccc(-c3nnn[n-]3)n2)ccc1Cl ZINC000826271650 607894794 /nfs/dbraw/zinc/89/47/94/607894794.db2.gz APUOOLHHGAWOLE-UHFFFAOYSA-N -1 1 287.710 3.016 20 0 CGADMM Cc1cc(Oc2cccc(-c3nn[n-]n3)n2)ccc1Cl ZINC000826271650 607894795 /nfs/dbraw/zinc/89/47/95/607894795.db2.gz APUOOLHHGAWOLE-UHFFFAOYSA-N -1 1 287.710 3.016 20 0 CGADMM Cc1ccc(Cl)cc1Oc1cccc(-c2nnn[n-]2)n1 ZINC000826289265 607901264 /nfs/dbraw/zinc/90/12/64/607901264.db2.gz SVPIMOSUAYHXIJ-UHFFFAOYSA-N -1 1 287.710 3.016 20 0 CGADMM Cc1ccc(Cl)cc1Oc1cccc(-c2nn[n-]n2)n1 ZINC000826289265 607901265 /nfs/dbraw/zinc/90/12/65/607901265.db2.gz SVPIMOSUAYHXIJ-UHFFFAOYSA-N -1 1 287.710 3.016 20 0 CGADMM Cc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000826289630 609203188 /nfs/dbraw/zinc/20/31/88/609203188.db2.gz HIYHLIRSXRSMJA-UHFFFAOYSA-N -1 1 299.403 3.181 20 0 CGADMM Cc1ccc(CN[C@H](C)c2nc(C(=O)[O-])c(C)s2)s1 ZINC000900075462 620756069 /nfs/dbraw/zinc/75/60/69/620756069.db2.gz UWFFBXFZSBLDRQ-MRVPVSSYSA-N -1 1 296.417 3.370 20 0 CGADMM CCCCN(CCCC)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900194570 620769847 /nfs/dbraw/zinc/76/98/47/620769847.db2.gz GCOKVGLKPHQGKB-UHFFFAOYSA-N -1 1 291.395 3.102 20 0 CGADMM CN(CC(C)(C)C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900516100 620793790 /nfs/dbraw/zinc/79/37/90/620793790.db2.gz TUENBVMOHCKOLU-UHFFFAOYSA-N -1 1 290.338 3.198 20 0 CGADMM [O-]c1c(Cl)cccc1CN(CCO)c1ccccc1 ZINC000191970382 618788756 /nfs/dbraw/zinc/78/87/56/618788756.db2.gz AANFDMQTHXIYQL-UHFFFAOYSA-N -1 1 277.751 3.045 20 0 CGADMM Cc1cc(CN[C@@H]2CCc3ccccc32)oc1C(=O)[O-] ZINC000235973244 618834417 /nfs/dbraw/zinc/83/44/17/618834417.db2.gz DRAYUHHCACZNTK-CQSZACIVSA-N -1 1 271.316 3.063 20 0 CGADMM CC[S@](C)(=O)=NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000925818900 619263109 /nfs/dbraw/zinc/26/31/09/619263109.db2.gz DZBIAIJIDOLJNH-KRWDZBQOSA-N -1 1 290.797 3.141 20 0 CGADMM Cc1ccccc1[C@@H](C)CC(=O)[N-]OCc1ccccn1 ZINC000909536359 620073629 /nfs/dbraw/zinc/07/36/29/620073629.db2.gz LPJBDRIFORHDBD-AWEZNQCLSA-N -1 1 284.359 3.132 20 0 CGADMM CCC[C@@H](Nc1ccnc2cc(F)ccc21)C(=O)[O-] ZINC000263561694 620326865 /nfs/dbraw/zinc/32/68/65/620326865.db2.gz SBLMWAXYZXQPEI-GFCCVEGCSA-N -1 1 262.284 3.039 20 0 CGADMM CC(F)(F)CCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897870500 620441232 /nfs/dbraw/zinc/44/12/32/620441232.db2.gz SBFDKKNWSDMMQX-UHFFFAOYSA-N -1 1 295.285 3.026 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000898575670 620597268 /nfs/dbraw/zinc/59/72/68/620597268.db2.gz WIOWVCKFJKZIFI-RKDXNWHRSA-N -1 1 291.244 3.214 20 0 CGADMM Cc1cc(CNCc2ccccc2C2CC2)oc1C(=O)[O-] ZINC000901937584 621069452 /nfs/dbraw/zinc/06/94/52/621069452.db2.gz FAVSMBKORCRDRH-UHFFFAOYSA-N -1 1 285.343 3.453 20 0 CGADMM Cc1cc(CNCc2ccc(F)c(C)c2)oc1C(=O)[O-] ZINC000901943203 621072616 /nfs/dbraw/zinc/07/26/16/621072616.db2.gz WKCJDILUXYCVNU-UHFFFAOYSA-N -1 1 277.295 3.024 20 0 CGADMM CCc1oc(CNCc2ccc(C)s2)cc1C(=O)[O-] ZINC000902102054 621135967 /nfs/dbraw/zinc/13/59/67/621135967.db2.gz YVKCNVWLRYIQSR-UHFFFAOYSA-N -1 1 279.361 3.200 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN[C@H]1CCc2cc(F)ccc21 ZINC000902170336 621183056 /nfs/dbraw/zinc/18/30/56/621183056.db2.gz DKAIFLZICYIYSM-AWEZNQCLSA-N -1 1 289.306 3.202 20 0 CGADMM Cc1oc(CN[C@H]2CCc3c2cccc3C)cc1C(=O)[O-] ZINC000902230637 621203329 /nfs/dbraw/zinc/20/33/29/621203329.db2.gz ILFBQQAGULNLBO-INIZCTEOSA-N -1 1 285.343 3.372 20 0 CGADMM Cc1oc(CN[C@@H]2CCc3ccc(F)cc32)cc1C(=O)[O-] ZINC000902236670 621206029 /nfs/dbraw/zinc/20/60/29/621206029.db2.gz UVMVDLFXEQKSAP-OAHLLOKOSA-N -1 1 289.306 3.202 20 0 CGADMM CC[C@](C)(NCc1cc(C(=O)[O-])cs1)c1nccs1 ZINC000902294638 621231607 /nfs/dbraw/zinc/23/16/07/621231607.db2.gz HJFGTKUIECYGDK-ZDUSSCGKSA-N -1 1 296.417 3.318 20 0 CGADMM Cc1ccccc1C1(NCc2cc(C(=O)[O-])co2)CCC1 ZINC000902308135 621248618 /nfs/dbraw/zinc/24/86/18/621248618.db2.gz APMVIDPQJBVQHQ-UHFFFAOYSA-N -1 1 285.343 3.455 20 0 CGADMM CC1(C)C[C@@]1(NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000902330026 621265754 /nfs/dbraw/zinc/26/57/54/621265754.db2.gz ONWKJZQTBAOIIK-QGZVFWFLSA-N -1 1 285.343 3.393 20 0 CGADMM O=C([O-])c1ccc(CN[C@H]2CCc3ccc(Cl)cc32)o1 ZINC000902372355 621277060 /nfs/dbraw/zinc/27/70/60/621277060.db2.gz YUXHDMNIBMXSIH-ZDUSSCGKSA-N -1 1 291.734 3.408 20 0 CGADMM Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])no2)cc1 ZINC000902508960 621349801 /nfs/dbraw/zinc/34/98/01/621349801.db2.gz DZQZQGHTWCYGQV-HNNXBMFYSA-N -1 1 286.331 3.018 20 0 CGADMM Cc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])no2)cc1 ZINC000902508960 621349807 /nfs/dbraw/zinc/34/98/07/621349807.db2.gz DZQZQGHTWCYGQV-HNNXBMFYSA-N -1 1 286.331 3.018 20 0 CGADMM O=C([O-])c1csc(CN2CC[C@H]2c2ccccc2)c1 ZINC000902513528 621352094 /nfs/dbraw/zinc/35/20/94/621352094.db2.gz XNGBMDXDYDDQTO-AWEZNQCLSA-N -1 1 273.357 3.393 20 0 CGADMM O=C([O-])C1(CCN2Cc3cccc(Cl)c3C2)CCC1 ZINC000903708084 621794959 /nfs/dbraw/zinc/79/49/59/621794959.db2.gz MMCCVSQBIQLOKL-UHFFFAOYSA-N -1 1 279.767 3.301 20 0 CGADMM C[C@H]1CCCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])C1 ZINC000903882307 621826007 /nfs/dbraw/zinc/82/60/07/621826007.db2.gz OBHNBRTVHUKACQ-QMMMGPOBSA-N -1 1 291.269 3.229 20 0 CGADMM C[C@@H](c1ccc(F)cc1)N(C)Cc1cncc(C(=O)[O-])c1 ZINC000903885297 621826890 /nfs/dbraw/zinc/82/68/90/621826890.db2.gz KZTADKUZLLMNAM-NSHDSACASA-N -1 1 288.322 3.112 20 0 CGADMM CCN(CCC(=O)[O-])Cc1nc(C)c(C(C)(C)C)s1 ZINC000903900966 621829782 /nfs/dbraw/zinc/82/97/82/621829782.db2.gz WQDLKIVIJVZZRH-UHFFFAOYSA-N -1 1 284.425 3.046 20 0 CGADMM CCc1ccccc1[C@H](CC(=O)[O-])NCc1cc(C)co1 ZINC000904032701 621855972 /nfs/dbraw/zinc/85/59/72/621855972.db2.gz OWQVDQZGOQATOQ-INIZCTEOSA-N -1 1 287.359 3.456 20 0 CGADMM CCc1[n-]n(-c2ccc(Cl)c(C)c2)c(=O)c1F ZINC000905024664 622031326 /nfs/dbraw/zinc/03/13/26/622031326.db2.gz PBNBXXHFBMOAEP-NSHDSACASA-N -1 1 254.692 3.099 20 0 CGADMM Cc1cc(-n2[n-]c3c(c2=O)[C@H](C)CC3)ccc1Cl ZINC000905027165 622031774 /nfs/dbraw/zinc/03/17/74/622031774.db2.gz XUMCDEWWGVNVLI-AMIZOPFISA-N -1 1 262.740 3.397 20 0 CGADMM CCC[C@H](C)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909979364 622441542 /nfs/dbraw/zinc/44/15/42/622441542.db2.gz PXRJZWLRYUTZLJ-QMMMGPOBSA-N -1 1 257.280 3.435 20 0 CGADMM CC(C)CCO[C@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909979369 622441599 /nfs/dbraw/zinc/44/15/99/622441599.db2.gz QFOGSZNTIXIDAR-SECBINFHSA-N -1 1 287.306 3.060 20 0 CGADMM CCC[C@@H](C)CC(=O)Nc1cc([O-])c(F)cc1F ZINC000909979363 622441630 /nfs/dbraw/zinc/44/16/30/622441630.db2.gz PXRJZWLRYUTZLJ-MRVPVSSYSA-N -1 1 257.280 3.435 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc2c([nH]1)CCCC2 ZINC000909987751 622445265 /nfs/dbraw/zinc/44/52/65/622445265.db2.gz FXVNKJJZCPTLJD-UHFFFAOYSA-N -1 1 292.285 3.130 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCCC(F)(F)C1 ZINC000910990134 622514040 /nfs/dbraw/zinc/51/40/40/622514040.db2.gz JJQBLPBUWWFJLU-ZETCQYMHSA-N -1 1 291.244 3.434 20 0 CGADMM CCOCCCCCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910991387 622514251 /nfs/dbraw/zinc/51/42/51/622514251.db2.gz PPPMZFHDPYKBTB-UHFFFAOYSA-N -1 1 287.306 3.206 20 0 CGADMM C[C@@H](CC(F)(F)F)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910989302 622514470 /nfs/dbraw/zinc/51/44/70/622514470.db2.gz VFZMKBSHEJBDJK-YFKPBYRVSA-N -1 1 283.196 3.197 20 0 CGADMM CC[C@H]1C[C@H](C)CN1C(=O)c1c([O-])cccc1Cl ZINC000769932799 625580025 /nfs/dbraw/zinc/58/00/25/625580025.db2.gz ZPYBTFCMOHATMW-UWVGGRQHSA-N -1 1 267.756 3.306 20 0 CGADMM CC[C@H](C)N(CC)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000912279920 622625684 /nfs/dbraw/zinc/62/56/84/622625684.db2.gz YMLRECBJVPZCDK-JTQLQIEISA-N -1 1 290.338 3.340 20 0 CGADMM Cc1cccc(CNC(=O)c2c([O-])cccc2Cl)c1 ZINC000057306752 622868864 /nfs/dbraw/zinc/86/88/64/622868864.db2.gz OFUXLFIWGZOGGU-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM C[C@H](C(=O)[N-]OCc1ccc(F)cc1)c1ccsc1 ZINC000754714729 626584053 /nfs/dbraw/zinc/58/40/53/626584053.db2.gz WLCFCCQTSMUJBY-JTQLQIEISA-N -1 1 279.336 3.239 20 0 CGADMM CCCc1cccc(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000756286679 626689012 /nfs/dbraw/zinc/68/90/12/626689012.db2.gz UFOQHYPVJJQDMH-UHFFFAOYSA-N -1 1 273.332 3.220 20 0 CGADMM O=C([N-]O[C@H]1CCCCO1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000839613861 626767101 /nfs/dbraw/zinc/76/71/01/626767101.db2.gz GJRQBOCODCSIFL-MJBXVCDLSA-N -1 1 295.766 3.018 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])cc1F)c1c(O)cccc1F ZINC000805261647 627135361 /nfs/dbraw/zinc/13/53/61/627135361.db2.gz ITTOKWPUSASNHT-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM O=C(Nc1ccnn1C1CCCC1)c1ccc([O-])c(F)c1 ZINC000767941319 627445531 /nfs/dbraw/zinc/44/55/31/627445531.db2.gz RKBXRTICFFPGME-UHFFFAOYSA-N -1 1 289.310 3.095 20 0 CGADMM CCCCSCC(=O)Nc1ccc(F)cc1[O-] ZINC000768259897 627471850 /nfs/dbraw/zinc/47/18/50/627471850.db2.gz XFOHOXFRVGFONZ-UHFFFAOYSA-N -1 1 257.330 3.003 20 0 CGADMM CC1(C)CCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769957103 627593288 /nfs/dbraw/zinc/59/32/88/627593288.db2.gz JYHGBIZFUQWJNO-LLVKDONJSA-N -1 1 267.756 3.354 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cccc(Cl)n3)n2)c(F)c1 ZINC000771210246 627690791 /nfs/dbraw/zinc/69/07/91/627690791.db2.gz GKCPVMDDOUAHJD-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM O=C(OCCCOc1ccccc1)c1ccc([O-])cc1F ZINC000773566486 627897253 /nfs/dbraw/zinc/89/72/53/627897253.db2.gz OEXZEAOWMOYEAT-UHFFFAOYSA-N -1 1 290.290 3.157 20 0 CGADMM O=C(OCCc1ccc(F)c(F)c1)c1ccc([O-])cc1F ZINC000773567751 627897337 /nfs/dbraw/zinc/89/73/37/627897337.db2.gz XEKPNQCXCOKJDO-UHFFFAOYSA-N -1 1 296.244 3.209 20 0 CGADMM O=C(OC/C=C\c1ccccc1)c1ccc([O-])cc1F ZINC000773565574 627897380 /nfs/dbraw/zinc/89/73/80/627897380.db2.gz KEUMEOGPSDDMIK-DAXSKMNVSA-N -1 1 272.275 3.402 20 0 CGADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)c(C)c(C)c1O ZINC000774841204 628036479 /nfs/dbraw/zinc/03/64/79/628036479.db2.gz WSGOKFIMPZZTBH-UHFFFAOYSA-N -1 1 289.306 3.414 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1c(F)cccc1F ZINC000776111575 628169141 /nfs/dbraw/zinc/16/91/41/628169141.db2.gz IJTRLIGMKINRDK-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM Cc1ccccc1C(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC000776870565 628237885 /nfs/dbraw/zinc/23/78/85/628237885.db2.gz XPONIBPUQHENCL-UHFFFAOYSA-N -1 1 288.372 3.082 20 0 CGADMM C[C@@H](OC(=O)c1cn[n-]n1)c1cc(Cl)ccc1Cl ZINC000805607947 628352076 /nfs/dbraw/zinc/35/20/76/628352076.db2.gz UTHAAPJMASLBEB-ZCFIWIBFSA-N -1 1 286.118 3.030 20 0 CGADMM C[C@H]1CC/C(=C\C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000790047766 629179615 /nfs/dbraw/zinc/17/96/15/629179615.db2.gz ORXVSZCJUSUQOM-INTFFVIUSA-N -1 1 266.728 3.126 20 0 CGADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790048444 629179857 /nfs/dbraw/zinc/17/98/57/629179857.db2.gz QXEPQQJXWTZFFS-SDBXPKJASA-N -1 1 268.744 3.061 20 0 CGADMM CCC/C(C)=C\C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790050736 629180283 /nfs/dbraw/zinc/18/02/83/629180283.db2.gz HSYAOCOXMFDQPX-FPLPWBNLSA-N -1 1 254.717 3.126 20 0 CGADMM CC(C)=CCCNC(=O)c1c([O-])cccc1Cl ZINC000791005082 629249276 /nfs/dbraw/zinc/24/92/76/629249276.db2.gz WKCQHINZTVBKHF-UHFFFAOYSA-N -1 1 253.729 3.132 20 0 CGADMM Cc1nc(SCCC(F)=C(F)F)[n-]c(=O)c1C ZINC000863319331 629531615 /nfs/dbraw/zinc/53/16/15/629531615.db2.gz MGAWYOJRICZLQP-UHFFFAOYSA-N -1 1 264.272 3.359 20 0 CGADMM CCC(C)(C)c1noc(-c2cc(NC(C)=O)ccc2[O-])n1 ZINC000867172962 634744009 /nfs/dbraw/zinc/74/40/09/634744009.db2.gz LYADTKBWYLKYGC-UHFFFAOYSA-N -1 1 289.335 3.088 20 0 CGADMM Cc1noc(C)c1[N-]C(=O)c1nc(C(C)(C)C)cs1 ZINC000865034229 629993133 /nfs/dbraw/zinc/99/31/33/629993133.db2.gz OIOIXCDLOFZZRR-UHFFFAOYSA-N -1 1 279.365 3.298 20 0 CGADMM Cc1nc(SCCCCCCCO)[n-]c(=O)c1C1CC1 ZINC000865373003 630081057 /nfs/dbraw/zinc/08/10/57/630081057.db2.gz BNAFMKROBCOIEW-UHFFFAOYSA-N -1 1 296.436 3.403 20 0 CGADMM COc1ccccc1CO[N-]C(=O)[C@@H](C)c1cccc(C)c1 ZINC000799090490 630140829 /nfs/dbraw/zinc/14/08/29/630140829.db2.gz NYXLJLVEQDNMLV-AWEZNQCLSA-N -1 1 299.370 3.355 20 0 CGADMM CC(C)c1ccoc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000803172201 630450665 /nfs/dbraw/zinc/45/06/65/630450665.db2.gz JILPEPKFLQIMKG-UHFFFAOYSA-N -1 1 280.711 3.409 20 0 CGADMM Cc1cc2c(cc1C)N(C(=O)c1ccc([O-])c(F)c1)CC2 ZINC000804320668 630519572 /nfs/dbraw/zinc/51/95/72/630519572.db2.gz VVSSNJNNZJEKLV-UHFFFAOYSA-N -1 1 285.318 3.351 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2csc3ccccc23)S1 ZINC000810193975 630852170 /nfs/dbraw/zinc/85/21/70/630852170.db2.gz ZVRDAOGQPIPDDD-BJMVGYQFSA-N -1 1 261.327 3.225 20 0 CGADMM CC(C)c1scnc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000811395387 631062141 /nfs/dbraw/zinc/06/21/41/631062141.db2.gz DGABRFPXAFHFAL-UHFFFAOYSA-N -1 1 297.767 3.273 20 0 CGADMM CC(C)n1cc2c(n1)[C@@H]([N-]c1nnc(C(F)F)o1)CCC2 ZINC000814367755 631575943 /nfs/dbraw/zinc/57/59/43/631575943.db2.gz XTFDPLKZBCBTNU-VIFPVBQESA-N -1 1 297.309 3.274 20 0 CGADMM COCC[N@@H+](Cc1c(F)ccc(O)c1F)C1CCCC1 ZINC000816489819 631991111 /nfs/dbraw/zinc/99/11/11/631991111.db2.gz DFKUSEGXDWOOJA-UHFFFAOYSA-N -1 1 285.334 3.061 20 0 CGADMM CCCCCC[C@H](CC)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000816741044 632048053 /nfs/dbraw/zinc/04/80/53/632048053.db2.gz WFQGPFTXVWVNLO-NSHDSACASA-N -1 1 267.373 3.359 20 0 CGADMM CCC[C@H](C(=O)[N-]OCCC1CC1)c1ccccc1 ZINC000817383428 632134627 /nfs/dbraw/zinc/13/46/27/632134627.db2.gz MXDZALOXXZVCCE-HNNXBMFYSA-N -1 1 261.365 3.418 20 0 CGADMM CCCO[N-]C(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000844084598 635817482 /nfs/dbraw/zinc/81/74/82/635817482.db2.gz BTHLJLRAEOMXOI-SECBINFHSA-N -1 1 275.270 3.267 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])C(F)=C1CCC1 ZINC000819431264 632459229 /nfs/dbraw/zinc/45/92/29/632459229.db2.gz RQHCPQVMMAUXGE-UHFFFAOYSA-N -1 1 255.676 3.392 20 0 CGADMM CC(=Cc1cccc(Cl)c1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000820402628 632620566 /nfs/dbraw/zinc/62/05/66/632620566.db2.gz MOCUKMZYFUQJJB-VURMDHGXSA-N -1 1 291.738 3.119 20 0 CGADMM COc1cnc(C=Cc2ccc(C(C)C)cc2)[n-]c1=O ZINC000821007524 632710955 /nfs/dbraw/zinc/71/09/55/632710955.db2.gz ITEDWNFMMSYZMA-RMKNXTFCSA-N -1 1 270.332 3.485 20 0 CGADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000821971329 632850917 /nfs/dbraw/zinc/85/09/17/632850917.db2.gz XDZIZLGZRFKWIZ-ZYUZMQFOSA-N -1 1 281.302 3.291 20 0 CGADMM CC1(CCC(=O)Nc2cc([O-])c(F)cc2F)CC1 ZINC000822542569 632964717 /nfs/dbraw/zinc/96/47/17/632964717.db2.gz DLBWJBKFHLPURZ-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM CC1(CCC(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC000828850164 633660742 /nfs/dbraw/zinc/66/07/42/633660742.db2.gz JEPGCPQFEFCCSU-UHFFFAOYSA-N -1 1 267.756 3.242 20 0 CGADMM CCc1[n-]n(Cc2ccc(C(F)(F)F)cc2)c(=O)c1F ZINC000871944058 633921286 /nfs/dbraw/zinc/92/12/86/633921286.db2.gz HKORBGYRGPXAQL-NSHDSACASA-N -1 1 288.244 3.152 20 0 CGADMM CCc1[n-]n(Cc2ccc(C(F)(F)F)cc2)c(=O)c1F ZINC000871944057 633921896 /nfs/dbraw/zinc/92/18/96/633921896.db2.gz HKORBGYRGPXAQL-LLVKDONJSA-N -1 1 288.244 3.152 20 0 CGADMM CCCc1[n-]n(-c2ccc(Cl)nc2)c(=O)c1CC ZINC000871953769 633925817 /nfs/dbraw/zinc/92/58/17/633925817.db2.gz BTZMMFVVLQOKLE-JTQLQIEISA-N -1 1 265.744 3.264 20 0 CGADMM CCc1[n-]n(Cc2cc(Cl)ccc2Cl)c(=O)c1F ZINC000871958968 633928525 /nfs/dbraw/zinc/92/85/25/633928525.db2.gz IOZXZJDGYIWMSS-LLVKDONJSA-N -1 1 289.137 3.440 20 0 CGADMM CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc(C)c(C(=O)[O-])c1 ZINC000872158335 634069624 /nfs/dbraw/zinc/06/96/24/634069624.db2.gz ANNHRABKBFJPND-CABCVRRESA-N -1 1 291.391 3.083 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1CCCC12CC2 ZINC000873086928 634244116 /nfs/dbraw/zinc/24/41/16/634244116.db2.gz QCGMCGXUMFLUJL-CYBMUJFWSA-N -1 1 294.782 3.178 20 0 CGADMM CC/C(C)=C/C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834822457 634248443 /nfs/dbraw/zinc/24/84/43/634248443.db2.gz OGFKYXKPUARECF-RMKNXTFCSA-N -1 1 253.729 3.018 20 0 CGADMM CCC/C(C)=C/C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833850 634252709 /nfs/dbraw/zinc/25/27/09/634252709.db2.gz NRIJBPBGPUWBSQ-JXMROGBWSA-N -1 1 267.756 3.408 20 0 CGADMM C[C@H](c1noc(-c2ccc(N)cc2[O-])n1)C(C)(C)C ZINC000843188952 635606212 /nfs/dbraw/zinc/60/62/12/635606212.db2.gz ICWJHVJXLJEKSM-MRVPVSSYSA-N -1 1 261.325 3.174 20 0 CGADMM Cc1cnc(SCC[C@@H]2CC2(Cl)Cl)[n-]c1=O ZINC000849903318 636904571 /nfs/dbraw/zinc/90/45/71/636904571.db2.gz OTFWVOWJCUTHGX-SSDOTTSWSA-N -1 1 279.192 3.167 20 0 CGADMM CCN(c1ccc(NC(=O)c2cncc([O-])c2)cc1)C(C)C ZINC000109042858 636929903 /nfs/dbraw/zinc/92/99/03/636929903.db2.gz CMHWJTVUZIYNEJ-UHFFFAOYSA-N -1 1 299.374 3.274 20 0 CGADMM C[C@@H](C(=O)NCCc1c(F)cc([O-])cc1F)C(C)(C)C ZINC000886264879 637471569 /nfs/dbraw/zinc/47/15/69/637471569.db2.gz OSGCGPHOIRLQRX-VIFPVBQESA-N -1 1 285.334 3.011 20 0 CGADMM CC/C(C)=C(/C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266213 637471822 /nfs/dbraw/zinc/47/18/22/637471822.db2.gz CZQJGABUPXKIKP-KTKRTIGZSA-N -1 1 283.318 3.076 20 0 CGADMM O=C(NCCc1c(F)cc([O-])cc1F)C1CCC=CCC1 ZINC000886271232 637476620 /nfs/dbraw/zinc/47/66/20/637476620.db2.gz BDVJTYJJCPULOA-UHFFFAOYSA-N -1 1 295.329 3.076 20 0 CGADMM CC(C)CC1([N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000851839489 637518810 /nfs/dbraw/zinc/51/88/10/637518810.db2.gz UQXNOMZDYUAUIX-UHFFFAOYSA-N -1 1 293.388 3.290 20 0 CGADMM O=C(CC[C@@H]1CCCO1)Nc1cc(F)c([O-])cc1Cl ZINC000885674113 638018810 /nfs/dbraw/zinc/01/88/10/638018810.db2.gz HQISOZMRBPFCQH-QMMMGPOBSA-N -1 1 287.718 3.082 20 0 CGADMM Cc1cc(CN2CCC(CCC(=O)[O-])CC2)cc(Cl)n1 ZINC000854241908 638030027 /nfs/dbraw/zinc/03/00/27/638030027.db2.gz YTIPMWKHHUEYBA-UHFFFAOYSA-N -1 1 296.798 3.120 20 0 CGADMM CC/C(C)=C/C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678694 638048585 /nfs/dbraw/zinc/04/85/85/638048585.db2.gz UONIHQMVVYATMI-QPJJXVBHSA-N -1 1 257.692 3.480 20 0 CGADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678973 638050249 /nfs/dbraw/zinc/05/02/49/638050249.db2.gz ZTDNTTCQOAIPBM-SFYZADRCSA-N -1 1 271.719 3.415 20 0 CGADMM CCC(C)(C)CC(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000854506015 638062521 /nfs/dbraw/zinc/06/25/21/638062521.db2.gz NMOYWAIOUICWDC-UHFFFAOYSA-N -1 1 276.336 3.217 20 0 CGADMM CC(C)(CC(=O)[N-]Oc1ccccc1)C(F)(F)F ZINC000854537011 638068617 /nfs/dbraw/zinc/06/86/17/638068617.db2.gz MUDFIFVSMJWYGJ-UHFFFAOYSA-N -1 1 261.243 3.075 20 0 CGADMM C[C@H]1CCCC[C@@H]1CCNc1cc(Cl)[n-]c(=O)n1 ZINC000858410829 638707346 /nfs/dbraw/zinc/70/73/46/638707346.db2.gz BCGMTOLOOVSSLJ-VHSXEESVSA-N -1 1 269.776 3.464 20 0 CGADMM CC[C@H](C)[C@H]1CCCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858467940 638727001 /nfs/dbraw/zinc/72/70/01/638727001.db2.gz YTQWJCRRUTVDSL-VHSXEESVSA-N -1 1 269.776 3.241 20 0 CGADMM CC(C)(C)C(C)(C)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858554631 638760309 /nfs/dbraw/zinc/76/03/09/638760309.db2.gz KWHRVLGZFJJWQD-UHFFFAOYSA-N -1 1 257.765 3.320 20 0 CGADMM CCN(C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C1CC1 ZINC000929863256 638958258 /nfs/dbraw/zinc/95/82/58/638958258.db2.gz JDQYIUIIEWYUBN-UHFFFAOYSA-N -1 1 299.326 3.089 20 0 CGADMM CC(C)(C)O[C@@H]1C[C@H](Nc2cc(Cl)[n-]c(=O)n2)C1(C)C ZINC000858572617 638995953 /nfs/dbraw/zinc/99/59/53/638995953.db2.gz VFXXEMDUVYYVKH-DTWKUNHWSA-N -1 1 299.802 3.230 20 0 CGADMM O=c1nc(NCCC[C@H]2CC2(Cl)Cl)cc(Cl)[n-]1 ZINC000858606589 639002196 /nfs/dbraw/zinc/00/21/96/639002196.db2.gz FJHHXBHHPBDZCT-LURJTMIESA-N -1 1 296.585 3.222 20 0 CGADMM O=c1nc(N2CC[C@H](C3CCCCC3)C2)cc(Cl)[n-]1 ZINC000858626001 639004075 /nfs/dbraw/zinc/00/40/75/639004075.db2.gz JOUSVKFJVVPVSC-NSHDSACASA-N -1 1 281.787 3.242 20 0 CGADMM C[C@@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCC(F)CC1 ZINC000858631406 639005376 /nfs/dbraw/zinc/00/53/76/639005376.db2.gz DJRRWVYTBXQKBI-AFPNSQJFSA-N -1 1 273.739 3.164 20 0 CGADMM C[C@@H]1C[C@H](C)N1C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000935736130 639850940 /nfs/dbraw/zinc/85/09/40/639850940.db2.gz FOECNYQHCBIYNN-PHIMTYICSA-N -1 1 299.326 3.088 20 0 CGADMM CC(C)(C)OC(=O)CCc1cccc(Cl)c1[O-] ZINC001250329198 805574628 /nfs/dbraw/zinc/57/46/28/805574628.db2.gz HJKJGJRXNFJRCM-UHFFFAOYSA-N -1 1 256.729 3.320 20 0 CGADMM [O-]c1cc(F)c(-c2ccnc3ccncc32)cc1F ZINC001250507147 805663888 /nfs/dbraw/zinc/66/38/88/805663888.db2.gz YFJWGSQHJNMDPU-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1c(Cl)cccc1-c1ccc2c(c1)OCCO2 ZINC001250625776 805734511 /nfs/dbraw/zinc/73/45/11/805734511.db2.gz FHFXYLCISHGRJV-UHFFFAOYSA-N -1 1 262.692 3.484 20 0 CGADMM Cc1cccc2nc(-c3cc(C(=O)[O-])ccc3F)[nH]c21 ZINC001251015077 805829326 /nfs/dbraw/zinc/82/93/26/805829326.db2.gz NLZPVGKIKYTESC-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM CCOc1ccc2nc(-c3ccc(C(=O)[O-])s3)[nH]c2c1 ZINC001251015082 805830033 /nfs/dbraw/zinc/83/00/33/805830033.db2.gz NMXNEKNXYKCGEW-UHFFFAOYSA-N -1 1 288.328 3.388 20 0 CGADMM [O-]c1cc(O)c(-c2nc3c(cccc3F)[nH]2)cc1Cl ZINC001251083147 805844160 /nfs/dbraw/zinc/84/41/60/805844160.db2.gz PNOMJVDBYSSGQS-UHFFFAOYSA-N -1 1 278.670 3.434 20 0 CGADMM COc1ccc2c(c1)nc(-c1cc(Cl)ncc1[O-])n2C ZINC001251251381 805871755 /nfs/dbraw/zinc/87/17/55/805871755.db2.gz AWRQCOTTXSZMPR-UHFFFAOYSA-N -1 1 289.722 3.003 20 0 CGADMM CCOc1ccc(-c2nnc(-c3ccc(O)cc3[O-])o2)cc1 ZINC001252050793 805980380 /nfs/dbraw/zinc/98/03/80/805980380.db2.gz VYTBZMCWVKAGKO-UHFFFAOYSA-N -1 1 298.298 3.214 20 0 CGADMM CN(C)c1ccc(-c2nnc(-c3cc([O-])cc(F)c3)o2)cc1 ZINC001252361512 806042237 /nfs/dbraw/zinc/04/22/37/806042237.db2.gz KJHAJJMASLIMSI-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM CCc1cccc([N-]S(=O)(=O)/C=C/c2ccccc2)n1 ZINC001252963483 806141090 /nfs/dbraw/zinc/14/10/90/806141090.db2.gz IXWMTGQXLIDEHR-VAWYXSNFSA-N -1 1 288.372 3.057 20 0 CGADMM [O-]c1cc(F)cc(-c2nnc(Cc3ccccc3)o2)c1 ZINC001253580037 806263899 /nfs/dbraw/zinc/26/38/99/806263899.db2.gz OAMOEWYQFYAVMK-UHFFFAOYSA-N -1 1 270.263 3.172 20 0 CGADMM CCCCS(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC001253770445 806304003 /nfs/dbraw/zinc/30/40/03/806304003.db2.gz HPPSTIHBWUAGDX-UHFFFAOYSA-N -1 1 297.298 3.127 20 0 CGADMM [O-]c1ccc(-c2nnc(-c3cccc(Cl)c3)o2)nn1 ZINC001253776914 806307717 /nfs/dbraw/zinc/30/77/17/806307717.db2.gz NXJZGXSUBMLLBW-UHFFFAOYSA-N -1 1 274.667 3.113 20 0 CGADMM CCCCS(=O)(=O)Nc1ccc(Cl)c(Cl)c1[O-] ZINC001253863759 806317779 /nfs/dbraw/zinc/31/77/79/806317779.db2.gz FBTKOYXWZJKLER-UHFFFAOYSA-N -1 1 298.191 3.241 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2ccc([O-])cn2)CC12CCCCC2 ZINC001161237069 806359509 /nfs/dbraw/zinc/35/95/09/806359509.db2.gz DGWJGHBNGTZPHH-OAHLLOKOSA-N -1 1 288.391 3.218 20 0 CGADMM [O-]c1cnc(Cl)c(-c2nnc(-c3cccc(F)c3)o2)c1 ZINC001254191414 806361975 /nfs/dbraw/zinc/36/19/75/806361975.db2.gz UATOIKRDDLQGMK-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM [O-]c1cc(F)cc(-c2nnc(-c3cccc(F)c3)o2)c1 ZINC001254209895 806364794 /nfs/dbraw/zinc/36/47/94/806364794.db2.gz VMOWWYBLJDNHLX-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2cccnc2c1 ZINC001254592301 806456957 /nfs/dbraw/zinc/45/69/57/806456957.db2.gz FHIUXLKHVHRMEP-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)[C@H]1CCC[C@@H](C)C1 ZINC001161934525 806485861 /nfs/dbraw/zinc/48/58/61/806485861.db2.gz XPMIKPZGHMPDAA-WOPDTQHZSA-N -1 1 279.355 3.476 20 0 CGADMM C[C@H](CC(=O)Nc1cc(F)cc(F)c1[O-])n1cccc1 ZINC001162293008 806549339 /nfs/dbraw/zinc/54/93/39/806549339.db2.gz VTUVVKIRHZLRLO-SECBINFHSA-N -1 1 280.274 3.062 20 0 CGADMM C=Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC001255653873 806694726 /nfs/dbraw/zinc/69/47/26/806694726.db2.gz BFDZFNYNJLFTOP-UHFFFAOYSA-N -1 1 277.320 3.270 20 0 CGADMM COc1ccc(C(=O)[O-])cc1CN(C)Cc1cccs1 ZINC000131815239 799029676 /nfs/dbraw/zinc/02/96/76/799029676.db2.gz ANXRDPVMBYPQMD-UHFFFAOYSA-N -1 1 291.372 3.087 20 0 CGADMM O=C([O-])CC1CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000161399645 799079739 /nfs/dbraw/zinc/07/97/39/799079739.db2.gz UWYYRPBUDFGTHB-UHFFFAOYSA-N -1 1 285.746 3.166 20 0 CGADMM Cc1oc(CN2CC[C@](C)(C(F)(F)F)C2)cc1C(=O)[O-] ZINC000708928284 799999698 /nfs/dbraw/zinc/99/96/98/799999698.db2.gz QVNJXAREKQXRCG-LBPRGKRZSA-N -1 1 291.269 3.061 20 0 CGADMM O=C([O-])c1csc(CN2CCc3sccc3C2)c1 ZINC000711377010 800053038 /nfs/dbraw/zinc/05/30/38/800053038.db2.gz FHRYZCKBTPCAAQ-UHFFFAOYSA-N -1 1 279.386 3.066 20 0 CGADMM C[C@@H]1c2sccc2CCN1Cc1occc1C(=O)[O-] ZINC000712323933 800083536 /nfs/dbraw/zinc/08/35/36/800083536.db2.gz CSVMUDDLSKJNTR-SECBINFHSA-N -1 1 277.345 3.159 20 0 CGADMM Cc1n[nH]cc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001174475645 809031278 /nfs/dbraw/zinc/03/12/78/809031278.db2.gz UYWBFTNAIFHCTN-UHFFFAOYSA-N -1 1 258.108 3.474 20 0 CGADMM O=C([N-]c1noc2c1CCCC2)c1scnc1C(F)F ZINC001121162709 802810883 /nfs/dbraw/zinc/81/08/83/802810883.db2.gz HAKXLSNWEBIISN-UHFFFAOYSA-N -1 1 299.302 3.200 20 0 CGADMM CC(=O)Nc1ccnc(-c2c([O-])cccc2Cl)c1 ZINC001244025951 803148245 /nfs/dbraw/zinc/14/82/45/803148245.db2.gz HTNCXAOJVCWXPO-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM C[C@H]1C(=O)Nc2cc(-c3cc(F)c([O-])c(F)c3)ccc21 ZINC001244097432 803184845 /nfs/dbraw/zinc/18/48/45/803184845.db2.gz UPYOJXHSDXQUBB-SSDOTTSWSA-N -1 1 275.254 3.393 20 0 CGADMM CCc1ncccc1[N-]c1nnc(Br)s1 ZINC001210463242 814470364 /nfs/dbraw/zinc/47/03/64/814470364.db2.gz AZSVZKGBNIYNMG-UHFFFAOYSA-N -1 1 285.170 3.002 20 0 CGADMM Cc1cnc(C)nc1-c1ccc(OC(F)(F)F)cc1[O-] ZINC001244464093 803381615 /nfs/dbraw/zinc/38/16/15/803381615.db2.gz OXPDRSSCPSEMSU-UHFFFAOYSA-N -1 1 284.237 3.365 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1ncnc2c1CCC2 ZINC001244464609 803381971 /nfs/dbraw/zinc/38/19/71/803381971.db2.gz UVUARZZBFOQPQB-UHFFFAOYSA-N -1 1 296.248 3.237 20 0 CGADMM COC(=O)c1ccc(F)c(-c2cc(C)c([O-])c(Cl)c2)n1 ZINC001244530869 803421587 /nfs/dbraw/zinc/42/15/87/803421587.db2.gz BOXZZKCTEHPCLY-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM Cc1cc(-c2cnc3cccnc3n2)cc(Cl)c1[O-] ZINC001244532003 803423299 /nfs/dbraw/zinc/42/32/99/803423299.db2.gz UCATTYPOWCGZDS-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM Cc1ncnc(-c2c(Cl)ccc([O-])c2F)c1F ZINC001244538091 803425784 /nfs/dbraw/zinc/42/57/84/803425784.db2.gz ITNOBLFCDVTDPX-UHFFFAOYSA-N -1 1 256.639 3.089 20 0 CGADMM [O-]c1ccc(Cl)c(-c2nccc(NCC3CC3)n2)c1F ZINC001244539200 803426559 /nfs/dbraw/zinc/42/65/59/803426559.db2.gz YSBRLCGYVNEJHN-UHFFFAOYSA-N -1 1 293.729 3.464 20 0 CGADMM COC(=O)c1cnc(-c2cc(C)c([O-])c(Cl)c2)cc1F ZINC001244539382 803426980 /nfs/dbraw/zinc/42/69/80/803426980.db2.gz UUJAEDOXTRCJGU-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM Cc1cc(-c2c(N)cncc2F)cc(Cl)c1[O-] ZINC001244538534 803427102 /nfs/dbraw/zinc/42/71/02/803427102.db2.gz MDZGLNVHGSYPJH-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM O=C1Cc2cc(-c3c(Cl)ccc([O-])c3F)ccc2N1 ZINC001244539901 803428567 /nfs/dbraw/zinc/42/85/67/803428567.db2.gz MYSOJKXUFZLNEK-UHFFFAOYSA-N -1 1 277.682 3.346 20 0 CGADMM CC(=O)Nc1cccnc1-c1c(Cl)ccc([O-])c1F ZINC001244543771 803430389 /nfs/dbraw/zinc/43/03/89/803430389.db2.gz VRFHRFJEPYJDRD-UHFFFAOYSA-N -1 1 280.686 3.205 20 0 CGADMM Cc1cc(-c2cnc(N3CCCC3)cn2)cc(Cl)c1[O-] ZINC001244546836 803431927 /nfs/dbraw/zinc/43/19/27/803431927.db2.gz KCVBIUCJXIPBDZ-UHFFFAOYSA-N -1 1 289.766 3.411 20 0 CGADMM Cc1cc(-c2cn(CC(C)C)c(=O)cn2)cc(Cl)c1[O-] ZINC001244553774 803435013 /nfs/dbraw/zinc/43/50/13/803435013.db2.gz JCFRVCHKJHWMKJ-UHFFFAOYSA-N -1 1 292.766 3.234 20 0 CGADMM Cc1nc2c[nH]cc(-c3cc(C)c(C(=O)[O-])c(C)c3)c-2n1 ZINC001244949364 803588053 /nfs/dbraw/zinc/58/80/53/803588053.db2.gz ZKEPAKAAINDZDV-UHFFFAOYSA-N -1 1 281.315 3.248 20 0 CGADMM Cc1nc2c(cncc2-c2cc(C)c(C(=O)[O-])c(C)c2)[nH]1 ZINC001244949364 803588054 /nfs/dbraw/zinc/58/80/54/803588054.db2.gz ZKEPAKAAINDZDV-UHFFFAOYSA-N -1 1 281.315 3.248 20 0 CGADMM O=C(NC1CCCCC1)c1c([O-])cnc2c(F)cccc21 ZINC001135493071 803599357 /nfs/dbraw/zinc/59/93/57/803599357.db2.gz WBPHROMPLGFRAL-UHFFFAOYSA-N -1 1 288.322 3.142 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1ccc2nccnc2n1 ZINC001245048480 803621466 /nfs/dbraw/zinc/62/14/66/803621466.db2.gz BKGBEZJANCEKSJ-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1cc2cncnc2cn1 ZINC001245048315 803621511 /nfs/dbraw/zinc/62/15/11/803621511.db2.gz JBGCGFZJQMANKJ-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM C[C@@H](c1ccco1)N(C(=O)c1ccc(F)c([O-])c1)C1CC1 ZINC001136406890 803642884 /nfs/dbraw/zinc/64/28/84/803642884.db2.gz GEMJVAGRHBUZJM-JTQLQIEISA-N -1 1 289.306 3.490 20 0 CGADMM CC(C)(C)Oc1ccccc1NC(=O)c1ccc([O-])cn1 ZINC001136822504 803653621 /nfs/dbraw/zinc/65/36/21/803653621.db2.gz DFWFZZSQTIKWMZ-UHFFFAOYSA-N -1 1 286.331 3.217 20 0 CGADMM CC(C)CCCCNC(=O)c1cccc([O-])c1F ZINC001136898281 803659207 /nfs/dbraw/zinc/65/92/07/803659207.db2.gz CGVKZBAFFBHZPN-UHFFFAOYSA-N -1 1 253.317 3.087 20 0 CGADMM Cc1cc(NC(=O)Cc2ccc([O-])c(Cl)c2)ccc1O ZINC001137678034 803755542 /nfs/dbraw/zinc/75/55/42/803755542.db2.gz SQOJOLZJWQRWIU-UHFFFAOYSA-N -1 1 291.734 3.241 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])cn1)c1ccc(C)c(F)c1 ZINC001137858670 803787098 /nfs/dbraw/zinc/78/70/98/803787098.db2.gz ROFQFHVGMMHMTI-CQSZACIVSA-N -1 1 288.322 3.116 20 0 CGADMM CSc1nc(Nc2cc3ccccc3n2C)cc(=O)[n-]1 ZINC001212043575 814968642 /nfs/dbraw/zinc/96/86/42/814968642.db2.gz XIGJUCXCFZNSTK-UHFFFAOYSA-N -1 1 286.360 3.139 20 0 CGADMM O=C(NC1CCC2(CCCCC2)CC1)c1ccc([O-])cn1 ZINC001138247328 803879850 /nfs/dbraw/zinc/87/98/50/803879850.db2.gz JSDJAIQSQCXUSK-UHFFFAOYSA-N -1 1 288.391 3.410 20 0 CGADMM COC(=O)c1c(F)ccc(F)c1-c1c([O-])cccc1F ZINC001245656349 803889701 /nfs/dbraw/zinc/88/97/01/803889701.db2.gz IMKDKGCGUYNIPE-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3occc32)c1Cl ZINC001245825569 803981184 /nfs/dbraw/zinc/98/11/84/803981184.db2.gz CYKZAZOCWWZADX-UHFFFAOYSA-N -1 1 264.643 3.388 20 0 CGADMM COC(=O)c1ccc(-c2c(F)ccc([O-])c2Cl)nc1 ZINC001245828709 803982921 /nfs/dbraw/zinc/98/29/21/803982921.db2.gz VBTGLVWBOLGVAJ-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM CCn1ccc(-c2c(F)ccc([O-])c2Cl)cc1=O ZINC001245836083 803988238 /nfs/dbraw/zinc/98/82/38/803988238.db2.gz XGWZIWQRYMTZHS-UHFFFAOYSA-N -1 1 267.687 3.033 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(Cl)cc2C)[n-]1 ZINC001245923897 804050215 /nfs/dbraw/zinc/05/02/15/804050215.db2.gz GUBCVXQLEJLFJB-UHFFFAOYSA-N -1 1 250.729 3.492 20 0 CGADMM Cc1cc(=O)n(-c2ccc(C=Cc3ccccn3)cc2)[n-]1 ZINC001245928232 804056716 /nfs/dbraw/zinc/05/67/16/804056716.db2.gz ROGFTQZKRQGDOS-VMPITWQZSA-N -1 1 277.327 3.452 20 0 CGADMM Cc1cc(Nc2ccc(F)c(F)c2[O-])cnc1F ZINC001212191212 814991156 /nfs/dbraw/zinc/99/11/56/814991156.db2.gz XGBSDFPLFFCIPO-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cc(O)cc(Cl)c2)c1 ZINC001256945795 807014016 /nfs/dbraw/zinc/01/40/16/807014016.db2.gz HVZZLWRPZXPMDZ-UHFFFAOYSA-N -1 1 297.763 3.155 20 0 CGADMM [O-]c1ccc(CN2CCC[C@@H](C(F)F)C2)c(F)c1F ZINC001140894014 804545585 /nfs/dbraw/zinc/54/55/85/804545585.db2.gz NVGSJNLBFYOXQT-SECBINFHSA-N -1 1 277.261 3.148 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc(C(F)F)o1 ZINC001165750840 807017800 /nfs/dbraw/zinc/01/78/00/807017800.db2.gz BHBUVDMHHXOIPZ-UHFFFAOYSA-N -1 1 271.194 3.314 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])cn2)[C@@H]1c1ccccc1 ZINC001142254833 804707699 /nfs/dbraw/zinc/70/76/99/804707699.db2.gz HPIZGQFPVXCUAL-OAHLLOKOSA-N -1 1 282.343 3.011 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2ccc3scnc3c2)no1 ZINC001212480877 815036685 /nfs/dbraw/zinc/03/66/85/815036685.db2.gz NWLWBUHNDHBYCE-UHFFFAOYSA-N -1 1 296.311 3.114 20 0 CGADMM C[C@H]1c2cccn2CCN1Cc1c(F)cc([O-])cc1F ZINC001144559199 805007289 /nfs/dbraw/zinc/00/72/89/805007289.db2.gz LPPGTXSSMYDZGS-JTQLQIEISA-N -1 1 278.302 3.049 20 0 CGADMM O=C1CCN(Cc2cc(F)c([O-])cc2F)[C@@H]2CCCC[C@@H]12 ZINC001144646962 805022147 /nfs/dbraw/zinc/02/21/47/805022147.db2.gz SHAWHOJHUVZUGV-BXUZGUMPSA-N -1 1 295.329 3.004 20 0 CGADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1c([O-])cccc1F ZINC001146492247 805069575 /nfs/dbraw/zinc/06/95/75/805069575.db2.gz LGGSGLSYWIGRCH-YVEFUNNKSA-N -1 1 285.318 3.448 20 0 CGADMM CC[C@@H](C)C[C@H](C)NC(=O)c1cccc([O-])c1F ZINC001147861428 805154378 /nfs/dbraw/zinc/15/43/78/805154378.db2.gz QSIHZBXYHLPXFW-ZJUUUORDSA-N -1 1 253.317 3.086 20 0 CGADMM Cc1cccc(C)c1NC(=O)c1cccc([O-])c1F ZINC001148462372 805183815 /nfs/dbraw/zinc/18/38/15/805183815.db2.gz WOGSZBRKWMBBAM-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CCCOCCNC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148869620 805212973 /nfs/dbraw/zinc/21/29/73/805212973.db2.gz MMFFFHTVSPGHCK-UHFFFAOYSA-N -1 1 299.370 3.216 20 0 CGADMM O=C(NC1(c2ccc(F)cc2)CC1)c1ccc(F)c([O-])c1 ZINC001149212655 805224135 /nfs/dbraw/zinc/22/41/35/805224135.db2.gz ZZFWUFLVDKHARX-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM CN(C[C@@H]1CC1(C)C)C(=O)c1cc2cccc(O)c2cc1[O-] ZINC001149646560 805241102 /nfs/dbraw/zinc/24/11/02/805241102.db2.gz OHUTVDAQPPFJBL-LBPRGKRZSA-N -1 1 299.370 3.369 20 0 CGADMM COc1ccccc1C(=O)Cc1cccc([O-])c1Cl ZINC001249889275 805280909 /nfs/dbraw/zinc/28/09/09/805280909.db2.gz QZHJSOZDJLQTRM-UHFFFAOYSA-N -1 1 276.719 3.480 20 0 CGADMM COc1ccccc1C(=O)Cc1cccc(Cl)c1[O-] ZINC001249888265 805281090 /nfs/dbraw/zinc/28/10/90/805281090.db2.gz FWVUNEKRPIQTPH-UHFFFAOYSA-N -1 1 276.719 3.480 20 0 CGADMM Cc1ncc([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])s1 ZINC001151123685 805283310 /nfs/dbraw/zinc/28/33/10/805283310.db2.gz BFEBECAMCUSOIV-SSDOTTSWSA-N -1 1 296.779 3.302 20 0 CGADMM [O-]c1cc(Nc2cccc(O)c2F)cc(F)c1F ZINC001212551150 815064273 /nfs/dbraw/zinc/06/42/73/815064273.db2.gz CJDSUTPPPINTAL-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM CCC(CC)[C@H](CCNC(=O)c1cc(F)ccc1[O-])OC ZINC001151694311 805308513 /nfs/dbraw/zinc/30/85/13/805308513.db2.gz FDTWIAUBHVHIFS-HNNXBMFYSA-N -1 1 297.370 3.102 20 0 CGADMM Cc1nc2c(cccc2C(=O)Nc2cccc(F)c2[O-])o1 ZINC001151779848 805312144 /nfs/dbraw/zinc/31/21/44/805312144.db2.gz OWMONYROACCERQ-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM Nc1cc(Cl)ncc1Nc1cc([O-])c(F)c(F)c1F ZINC001249958040 805324436 /nfs/dbraw/zinc/32/44/36/805324436.db2.gz IYPNGEDUALQNFY-UHFFFAOYSA-N -1 1 289.644 3.184 20 0 CGADMM CCOc1ccc(Nc2cc([O-])c(F)c(F)c2F)cn1 ZINC001249959474 805327491 /nfs/dbraw/zinc/32/74/91/805327491.db2.gz USANFBGPUYZLSA-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM COc1ncc(Nc2cc([O-])c(F)c(F)c2F)cc1F ZINC001249960915 805328722 /nfs/dbraw/zinc/32/87/22/805328722.db2.gz XCUMTTYVWKVJIQ-UHFFFAOYSA-N -1 1 288.200 3.096 20 0 CGADMM [O-]c1cc(Nc2cnn(C(F)F)c2)c(F)c(F)c1F ZINC001249961135 805329174 /nfs/dbraw/zinc/32/91/74/805329174.db2.gz HSEMVCJBCPSABS-UHFFFAOYSA-N -1 1 279.168 3.145 20 0 CGADMM Cc1cc(Nc2cc([O-])c(F)c(F)c2F)n(CC2CC2)n1 ZINC001249961839 805329783 /nfs/dbraw/zinc/32/97/83/805329783.db2.gz WYAXHOQYBYSTOG-UHFFFAOYSA-N -1 1 297.280 3.468 20 0 CGADMM CCCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC001152425761 805349399 /nfs/dbraw/zinc/34/93/99/805349399.db2.gz ZTOXUVIUIABAIH-UHFFFAOYSA-N -1 1 287.281 3.426 20 0 CGADMM CCc1cc(Nc2cc(Cl)c([O-])cc2F)on1 ZINC001250019887 805369987 /nfs/dbraw/zinc/36/99/87/805369987.db2.gz KICNNIWTLDLBCC-UHFFFAOYSA-N -1 1 256.664 3.479 20 0 CGADMM CCN(C)c1ncc(Nc2cc(Cl)c([O-])cc2F)cn1 ZINC001250023516 805374643 /nfs/dbraw/zinc/37/46/43/805374643.db2.gz MSULWVQEBKOYDB-UHFFFAOYSA-N -1 1 296.733 3.174 20 0 CGADMM Cc1cc(O)cnc1NC(=O)c1c([O-])ccc2ccccc21 ZINC001153498805 805399737 /nfs/dbraw/zinc/39/97/37/805399737.db2.gz UFHVILRRVHAJSO-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM CCCN(CCOC)C(=O)c1c([O-])ccc2ccccc21 ZINC001153498205 805400094 /nfs/dbraw/zinc/40/00/94/805400094.db2.gz NDSVGYAZZSZNRD-UHFFFAOYSA-N -1 1 287.359 3.044 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1ccccc1F ZINC001154101927 805434045 /nfs/dbraw/zinc/43/40/45/805434045.db2.gz YRPHSLXGYGLROA-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM O=C(Cc1ccccc1F)NCc1ccc([O-])c(Cl)c1 ZINC001154101362 805434309 /nfs/dbraw/zinc/43/43/09/805434309.db2.gz IMHHGNGIANQZJC-UHFFFAOYSA-N -1 1 293.725 3.044 20 0 CGADMM Cc1nc(Cl)ccc1[N-]c1noc(C(C)(C)C)n1 ZINC001250150552 805444577 /nfs/dbraw/zinc/44/45/77/805444577.db2.gz MBXFFJMIIHPIDD-UHFFFAOYSA-N -1 1 266.732 3.468 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@H](C)[C@@H]2c2ccccc2)c([O-])c1 ZINC001154728367 805480927 /nfs/dbraw/zinc/48/09/27/805480927.db2.gz SWHXZEUAGRRFPU-SUMWQHHRSA-N -1 1 296.370 3.319 20 0 CGADMM O=c1ccc(Nc2c(F)ccc([O-])c2Cl)c[nH]1 ZINC001250228050 805504970 /nfs/dbraw/zinc/50/49/70/805504970.db2.gz IZVKUSSDZRHUAX-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM CCCc1ccnc([N-]S(=O)(=O)CC2CCCCC2)c1 ZINC001259614812 807681721 /nfs/dbraw/zinc/68/17/21/807681721.db2.gz ANKDRBLPHALYPA-UHFFFAOYSA-N -1 1 296.436 3.356 20 0 CGADMM Cc1ccc2c(cccc2-n2[n-]c(=O)c3ccc(N)cc32)n1 ZINC001212798649 815141571 /nfs/dbraw/zinc/14/15/71/815141571.db2.gz LSPRKOCYXQUQEY-UHFFFAOYSA-N -1 1 290.326 3.170 20 0 CGADMM CCC[C@H](C)C[C@H](NCc1cc2cnccc2o1)C(=O)[O-] ZINC001261503603 807752126 /nfs/dbraw/zinc/75/21/26/807752126.db2.gz GAXXODNCURXSRF-FZMZJTMJSA-N -1 1 290.363 3.197 20 0 CGADMM CCOCC[C@H](C)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001172422481 808302735 /nfs/dbraw/zinc/30/27/35/808302735.db2.gz FGHMLFRHXVYTRO-LBPRGKRZSA-N -1 1 289.379 3.113 20 0 CGADMM CCCC[C@H](CC(C)C)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001173252572 808559455 /nfs/dbraw/zinc/55/94/55/808559455.db2.gz JTIGXLVVXAKBDI-SNVBAGLBSA-N -1 1 277.372 3.075 20 0 CGADMM CCSC[C@H](C)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001173301970 808600396 /nfs/dbraw/zinc/60/03/96/808600396.db2.gz NARLJHIWHUXOMG-NSHDSACASA-N -1 1 291.420 3.440 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3c(c2)OCCO3)cc1F ZINC001173879680 808735497 /nfs/dbraw/zinc/73/54/97/808735497.db2.gz APBHYJHAVKYZPI-UHFFFAOYSA-N -1 1 279.242 3.185 20 0 CGADMM CC(=O)NCc1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001174370144 808980431 /nfs/dbraw/zinc/98/04/31/808980431.db2.gz PMSMCVBSWOGUOL-UHFFFAOYSA-N -1 1 292.285 3.050 20 0 CGADMM COc1cc([N-]c2nnc(C(C)C)o2)cc(F)c1F ZINC001174583923 809092408 /nfs/dbraw/zinc/09/24/08/809092408.db2.gz YUQVPMCVPBKARK-UHFFFAOYSA-N -1 1 269.251 3.223 20 0 CGADMM CCc1c(C)cc(-n2[n-]c(=O)c3cc(N)ccc32)cc1C ZINC001174678318 809128169 /nfs/dbraw/zinc/12/81/69/809128169.db2.gz ARLMERKEVJUIIR-UHFFFAOYSA-N -1 1 281.359 3.493 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3c(c2)OCO3)cc1F ZINC001174867158 809183168 /nfs/dbraw/zinc/18/31/68/809183168.db2.gz REIJFDLPNWSFOH-UHFFFAOYSA-N -1 1 265.215 3.143 20 0 CGADMM [O-]c1c(F)cc(Nc2c(CO)ccc(F)c2F)cc1F ZINC001213386496 815273921 /nfs/dbraw/zinc/27/39/21/815273921.db2.gz GHOCCXFLHNNSFQ-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM O=C1Cc2cc(F)cc(Nc3cc(F)c([O-])c(F)c3)c2N1 ZINC001213384411 815274723 /nfs/dbraw/zinc/27/47/23/815274723.db2.gz LIPGXCSBIKGZOZ-UHFFFAOYSA-N -1 1 294.232 3.048 20 0 CGADMM CCOc1ccc(Nc2cc(=O)[n-]c(SC)n2)c(F)c1 ZINC001175247840 809324087 /nfs/dbraw/zinc/32/40/87/809324087.db2.gz OYYDQCBVOOBRPF-UHFFFAOYSA-N -1 1 295.339 3.186 20 0 CGADMM [O-]c1cc(F)c(Nc2c(F)ccc(O)c2F)cc1F ZINC001175267621 809330762 /nfs/dbraw/zinc/33/07/62/809330762.db2.gz CQUKTCAPOWXZTN-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM Fc1c(F)c(F)c([N-]c2ccno2)c(F)c1F ZINC001175383663 809385889 /nfs/dbraw/zinc/38/58/89/809385889.db2.gz MXULJUVIZHIBMP-UHFFFAOYSA-N -1 1 250.126 3.114 20 0 CGADMM CCC[C@H](NC(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001290534642 809409022 /nfs/dbraw/zinc/40/90/22/809409022.db2.gz XVWAOBUYYRUUTC-AWEZNQCLSA-N -1 1 270.332 3.058 20 0 CGADMM CC(C)(NC(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001292357142 809430566 /nfs/dbraw/zinc/43/05/66/809430566.db2.gz AVKMXQAPIFASHQ-UHFFFAOYSA-N -1 1 273.307 3.196 20 0 CGADMM Cc1cccc([C@@H](C)CNC(=O)c2cc(F)ccc2[O-])c1 ZINC001293832169 809456025 /nfs/dbraw/zinc/45/60/25/809456025.db2.gz WYTPEABBXJPBAW-LBPRGKRZSA-N -1 1 287.334 3.373 20 0 CGADMM CC1(C)CCC(NC(=O)c2cccc([O-])c2F)CC1 ZINC001293933056 809457180 /nfs/dbraw/zinc/45/71/80/809457180.db2.gz OKKMNUZADRBAGM-UHFFFAOYSA-N -1 1 265.328 3.230 20 0 CGADMM CC(C)(CNC(=O)c1ccc([O-])cn1)C1CCCCC1 ZINC001295174930 809483534 /nfs/dbraw/zinc/48/35/34/809483534.db2.gz OZZLZSQAHCSWMD-UHFFFAOYSA-N -1 1 276.380 3.124 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc3c[nH]nc32)cc1F ZINC001175641214 809486292 /nfs/dbraw/zinc/48/62/92/809486292.db2.gz XAMJSOLJXXHRHL-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM CC(C)(C)Cc1csc(NC(=O)c2ccc([O-])cn2)n1 ZINC001295697810 809491943 /nfs/dbraw/zinc/49/19/43/809491943.db2.gz KWZFKGFWADLGPU-UHFFFAOYSA-N -1 1 291.376 3.085 20 0 CGADMM Cc1cccc(NC(=O)Cc2ccc([O-])c(Cl)c2)c1O ZINC001295833122 809494774 /nfs/dbraw/zinc/49/47/74/809494774.db2.gz FJFLMBIMVJWWHJ-UHFFFAOYSA-N -1 1 291.734 3.241 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cn1)c1ccc2c(c1)CCCC2 ZINC001296139139 809499445 /nfs/dbraw/zinc/49/94/45/809499445.db2.gz NVJMPOSZUCOJOD-GFCCVEGCSA-N -1 1 296.370 3.157 20 0 CGADMM Cc1n[nH]c2ccc(Nc3ccnc(Cl)c3[O-])cc12 ZINC001175699214 809511189 /nfs/dbraw/zinc/51/11/89/809511189.db2.gz MOJMKWVZUZBKEZ-UHFFFAOYSA-N -1 1 274.711 3.369 20 0 CGADMM Cc1[nH]nc2ccc(Nc3ccnc(Cl)c3[O-])cc12 ZINC001175699214 809511194 /nfs/dbraw/zinc/51/11/94/809511194.db2.gz MOJMKWVZUZBKEZ-UHFFFAOYSA-N -1 1 274.711 3.369 20 0 CGADMM COC1([C@@H](C)NC(=O)c2ccc3ccccc3c2[O-])CCC1 ZINC001299427617 809550564 /nfs/dbraw/zinc/55/05/64/809550564.db2.gz KFGITTWMNCDCBW-GFCCVEGCSA-N -1 1 299.370 3.233 20 0 CGADMM Cc1ccc([C@@H]2C[C@H]2NC(=O)c2cccc([O-])c2F)cc1 ZINC001299833095 809556586 /nfs/dbraw/zinc/55/65/86/809556586.db2.gz KPRHFDBKVFBZHY-UONOGXRCSA-N -1 1 285.318 3.126 20 0 CGADMM COc1csc(C(=O)[N-]c2ncccc2SC)c1 ZINC001300261648 809565321 /nfs/dbraw/zinc/56/53/21/809565321.db2.gz QQXJNTNELVLJAR-UHFFFAOYSA-N -1 1 280.374 3.126 20 0 CGADMM O=C(Nc1cncc2c1CCCC2)c1cccc([O-])c1F ZINC001300770935 809573596 /nfs/dbraw/zinc/57/35/96/809573596.db2.gz WPPQYQSDXOCBQE-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM Cc1cccc(F)c1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001303298436 809608533 /nfs/dbraw/zinc/60/85/33/809608533.db2.gz ACYJEHLZYDQQEG-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM c1coc(-c2nnc([N-]c3cccc4c3OCC4)o2)c1 ZINC001176076871 809616581 /nfs/dbraw/zinc/61/65/81/809616581.db2.gz LKOSIQJVCNZSKL-UHFFFAOYSA-N -1 1 269.260 3.008 20 0 CGADMM COc1cc(Nc2ccnc(Cl)c2[O-])c(F)cc1F ZINC001176106968 809622826 /nfs/dbraw/zinc/62/28/26/809622826.db2.gz IINCFKFQMXZTPY-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CC(C)c1nnc([N-]c2ccc3c(c2)CCC3=O)o1 ZINC001176232390 809652095 /nfs/dbraw/zinc/65/20/95/809652095.db2.gz ZPYVIQCPUPKLQA-UHFFFAOYSA-N -1 1 257.293 3.066 20 0 CGADMM CC1(C)C[C@]1(C)CNC(=O)c1c([O-])cccc1Cl ZINC001176356887 809676200 /nfs/dbraw/zinc/67/62/00/809676200.db2.gz GPYYGQLGGLPHAS-CQSZACIVSA-N -1 1 267.756 3.212 20 0 CGADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccccc2Cl)c1 ZINC001176552170 809716657 /nfs/dbraw/zinc/71/66/57/809716657.db2.gz QGLCTNVXRXUWQH-UHFFFAOYSA-N -1 1 297.763 3.193 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc(F)cn2)c1F ZINC001176662410 809737523 /nfs/dbraw/zinc/73/75/23/809737523.db2.gz OSZHWOKZAYHEDA-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccc3c2CCO3)c1F ZINC001176672006 809739356 /nfs/dbraw/zinc/73/93/56/809739356.db2.gz CHKJDUKSOOKCEZ-UHFFFAOYSA-N -1 1 281.233 3.488 20 0 CGADMM Nc1ccc2c(c1)N(c1c(F)cc(F)c([O-])c1F)CCC2 ZINC001176670879 809739598 /nfs/dbraw/zinc/73/95/98/809739598.db2.gz OVINOXFCYFWSMC-UHFFFAOYSA-N -1 1 294.276 3.476 20 0 CGADMM COC(=O)c1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176673357 809740828 /nfs/dbraw/zinc/74/08/28/809740828.db2.gz TZCDVOGPCWTYLN-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM CC(C)COc1cccc(-n2[n-]c(=O)c3ccc(N)cc32)c1 ZINC001213642504 815316412 /nfs/dbraw/zinc/31/64/12/815316412.db2.gz YRMQAOOFHNPPMP-UHFFFAOYSA-N -1 1 297.358 3.348 20 0 CGADMM CC[C@@H](C)C[C@H](C)[N-]C(=O)C(F)(F)C(F)(F)Cl ZINC001179780358 809944658 /nfs/dbraw/zinc/94/46/58/809944658.db2.gz WMCMWRASQLPQAK-RQJHMYQMSA-N -1 1 277.689 3.394 20 0 CGADMM CCc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)c([O-])c1 ZINC001181256562 810045053 /nfs/dbraw/zinc/04/50/53/810045053.db2.gz XEICCVJLDWQREK-UHFFFAOYSA-N -1 1 287.363 3.228 20 0 CGADMM Brc1nnc([N-]c2cnccc2C2CC2)s1 ZINC001213869135 815340556 /nfs/dbraw/zinc/34/05/56/815340556.db2.gz FJPPBAOEWVDDDH-UHFFFAOYSA-N -1 1 297.181 3.317 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccnc(-c2ccco2)c1 ZINC001183055024 810135949 /nfs/dbraw/zinc/13/59/49/810135949.db2.gz ZSTYIOXQYZWRAE-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCCCC1(F)F ZINC001183209553 810140463 /nfs/dbraw/zinc/14/04/63/810140463.db2.gz BVYWZYNILNREOI-SSDOTTSWSA-N -1 1 290.697 3.205 20 0 CGADMM O=C(NCc1cccc(F)c1)Nc1cc(F)cc(F)c1[O-] ZINC001185837953 810295684 /nfs/dbraw/zinc/29/56/84/810295684.db2.gz NIXYNADCPLFFPZ-UHFFFAOYSA-N -1 1 296.248 3.131 20 0 CGADMM O=C(Nc1ccc(C2CCC2)nc1)c1ccc([O-])c(F)c1 ZINC001186209055 810321644 /nfs/dbraw/zinc/32/16/44/810321644.db2.gz OAEUCPFYZHSCSW-UHFFFAOYSA-N -1 1 286.306 3.446 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)CCC1(F)F ZINC001186209063 810321823 /nfs/dbraw/zinc/32/18/23/810321823.db2.gz OBFGJHHGFVTUOC-VIFPVBQESA-N -1 1 287.281 3.039 20 0 CGADMM O=C(Nc1ccc2c(c1)N=NC2)c1ccc([O-])c(F)c1 ZINC001186236184 810323514 /nfs/dbraw/zinc/32/35/14/810323514.db2.gz AXIOBZVATMOEBN-UHFFFAOYSA-N -1 1 271.251 3.381 20 0 CGADMM Cc1nc(S[C@H]2CCc3ccccc3C2)[n-]c(=O)c1C ZINC001189061322 810539945 /nfs/dbraw/zinc/53/99/45/810539945.db2.gz NTQRYAMBFWBOPF-AWEZNQCLSA-N -1 1 286.400 3.449 20 0 CGADMM Cc1nc(S[C@H]2CCC(C)(C)C2)[n-]c(=O)c1C ZINC001189060853 810540010 /nfs/dbraw/zinc/54/00/10/810540010.db2.gz FNKNWLIKJPGJLG-JTQLQIEISA-N -1 1 252.383 3.470 20 0 CGADMM Cc1ccc(Nc2c([O-])cc(F)cc2F)c(N)c1 ZINC001214186885 815380156 /nfs/dbraw/zinc/38/01/56/815380156.db2.gz JXDSFCXSUAJFSY-UHFFFAOYSA-N -1 1 250.248 3.305 20 0 CGADMM O=C(Nc1ccccn1)Nc1cccc([O-])c1Cl ZINC001191335732 810702732 /nfs/dbraw/zinc/70/27/32/810702732.db2.gz WZVDOJNURVYGFY-UHFFFAOYSA-N -1 1 263.684 3.085 20 0 CGADMM CCCOc1ccccc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191535640 810723177 /nfs/dbraw/zinc/72/31/77/810723177.db2.gz NXWGYYUTJVGLCB-UHFFFAOYSA-N -1 1 297.420 3.407 20 0 CGADMM C[C@@]1(F)CCCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC001192526449 810804213 /nfs/dbraw/zinc/80/42/13/810804213.db2.gz KBKFEZHQQTYRIY-CQSZACIVSA-N -1 1 287.281 3.025 20 0 CGADMM CCCC[C@H](C)NC(=O)Nc1ccc([O-])c(F)c1F ZINC001193062395 810849856 /nfs/dbraw/zinc/84/98/56/810849856.db2.gz LQTHBLPVTGCDLQ-QMMMGPOBSA-N -1 1 272.295 3.371 20 0 CGADMM O=S(=O)(CC1CCC1)[N-]c1cc2ccccc2s1 ZINC001193471698 810892217 /nfs/dbraw/zinc/89/22/17/810892217.db2.gz ZAJOGEWZBWFBGA-UHFFFAOYSA-N -1 1 281.402 3.443 20 0 CGADMM CCCOC(=O)Nc1ccc(Br)cc1[O-] ZINC001194118111 811017049 /nfs/dbraw/zinc/01/70/49/811017049.db2.gz LYZWZGOXCLHNJF-UHFFFAOYSA-N -1 1 274.114 3.113 20 0 CGADMM [O-]c1c(F)cc(Nc2cncc(O)c2)cc1Cl ZINC001214479560 815415023 /nfs/dbraw/zinc/41/50/23/815415023.db2.gz ANUOWCCMVXYGSA-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM Cn1nc(Nc2cc(F)c([O-])c(Cl)c2)c2cccnc21 ZINC001214479932 815415556 /nfs/dbraw/zinc/41/55/56/815415556.db2.gz LFTFJEYYAXHIHT-UHFFFAOYSA-N -1 1 292.701 3.210 20 0 CGADMM CN(C)c1cccnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214486428 815416505 /nfs/dbraw/zinc/41/65/05/815416505.db2.gz HLJKKWYPOFRJMS-UHFFFAOYSA-N -1 1 281.718 3.389 20 0 CGADMM Cc1ccc(C(N)=O)c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214489310 815417664 /nfs/dbraw/zinc/41/76/64/815417664.db2.gz AVBGKCREYXNBMQ-UHFFFAOYSA-N -1 1 294.713 3.336 20 0 CGADMM CC[C@@H](C)COC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001194807200 811141631 /nfs/dbraw/zinc/14/16/31/811141631.db2.gz POEFNNKYODQBGZ-SSDOTTSWSA-N -1 1 259.252 3.265 20 0 CGADMM CC[C@@H](C)COC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001194811401 811143213 /nfs/dbraw/zinc/14/32/13/811143213.db2.gz KYIZVADIHXBLAH-LLVKDONJSA-N -1 1 289.335 3.173 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc2c(s1)CCCC2 ZINC001195458401 811255952 /nfs/dbraw/zinc/25/59/52/811255952.db2.gz UCVGXFAVRTYIHW-UHFFFAOYSA-N -1 1 284.406 3.070 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)ccc1CC ZINC001195492124 811261810 /nfs/dbraw/zinc/26/18/10/811261810.db2.gz BYFUBJLYKGGNDK-UHFFFAOYSA-N -1 1 286.784 3.345 20 0 CGADMM COc1cccc(NC(=S)Nc2ccc(F)cc2[O-])c1 ZINC001196050371 811313847 /nfs/dbraw/zinc/31/38/47/811313847.db2.gz QHWDXHFVTVFKNU-UHFFFAOYSA-N -1 1 292.335 3.349 20 0 CGADMM CC[C@@H](C)NC(=S)Nc1cc([O-])c(Cl)cc1F ZINC001200482378 811702321 /nfs/dbraw/zinc/70/23/21/811702321.db2.gz MQFBIILUBXRJBY-ZCFIWIBFSA-N -1 1 276.764 3.270 20 0 CGADMM O=C1CCc2c1cccc2-c1noc(-c2ccccc2[O-])n1 ZINC001215142192 815487966 /nfs/dbraw/zinc/48/79/66/815487966.db2.gz PCPNWMPGFOQPIE-UHFFFAOYSA-N -1 1 292.294 3.238 20 0 CGADMM CCOc1ccc(-c2noc(-c3ccc(O)cc3[O-])n2)cc1 ZINC001215299935 815504152 /nfs/dbraw/zinc/50/41/52/815504152.db2.gz IPHMXOFXUWXDPH-UHFFFAOYSA-N -1 1 298.298 3.214 20 0 CGADMM CCc1nc(OC)ccc1[N-]c1nnc(-c2ccco2)o1 ZINC001203585920 812399828 /nfs/dbraw/zinc/39/98/28/812399828.db2.gz UJBZYVPOURQQMS-UHFFFAOYSA-N -1 1 286.291 3.039 20 0 CGADMM COC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001215571809 815537772 /nfs/dbraw/zinc/53/77/72/815537772.db2.gz MUHZADJZWUFCNT-UHFFFAOYSA-N -1 1 279.242 3.201 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc3c2COC3)cc1F ZINC001215575583 815538180 /nfs/dbraw/zinc/53/81/80/815538180.db2.gz AVDWLRMGZBCZCW-UHFFFAOYSA-N -1 1 263.243 3.444 20 0 CGADMM COc1c(O)cccc1Nc1cc(F)c([O-])cc1F ZINC001215577025 815539382 /nfs/dbraw/zinc/53/93/82/815539382.db2.gz QDYSTURDAIQLFL-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM [O-]c1cc(F)c(Nc2c(F)cccc2CO)cc1F ZINC001215576285 815539566 /nfs/dbraw/zinc/53/95/66/815539566.db2.gz SKPJHJBNUMLVFT-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM CCCOc1ccc(C)c(-n2[n-]c(=O)c3ccc(N)cc32)c1 ZINC001215588713 815543334 /nfs/dbraw/zinc/54/33/34/815543334.db2.gz MWTSTMVDLQIJJA-UHFFFAOYSA-N -1 1 297.358 3.411 20 0 CGADMM Cc1cc2cc([N-]c3nnc(-c4ccco4)o3)cnc2[nH]1 ZINC001204897408 812767618 /nfs/dbraw/zinc/76/76/18/812767618.db2.gz WKKCLCRCQJKEAI-UHFFFAOYSA-N -1 1 281.275 3.258 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(F)c(CO)c2F)cc1F ZINC001215653676 815553987 /nfs/dbraw/zinc/55/39/87/815553987.db2.gz GEMWMNUSENLEQL-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM Cc1cc2n[nH]cc2cc1Nc1ccnc(Cl)c1[O-] ZINC001210103211 814289644 /nfs/dbraw/zinc/28/96/44/814289644.db2.gz WAYWVNHTSVAPJP-UHFFFAOYSA-N -1 1 274.711 3.369 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cccc2ccncc21 ZINC001210224200 814351552 /nfs/dbraw/zinc/35/15/52/814351552.db2.gz HCIXMUGQWMDHQF-UHFFFAOYSA-N -1 1 299.315 3.161 20 0 CGADMM CC(C)n1nccc1Nc1cc([O-])c(F)c(F)c1 ZINC001210521016 814506100 /nfs/dbraw/zinc/50/61/00/814506100.db2.gz QGBQWZZYRQDEDZ-UHFFFAOYSA-N -1 1 253.252 3.191 20 0 CGADMM CCOC(=O)Cc1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242798367 823135749 /nfs/dbraw/zinc/13/57/49/823135749.db2.gz UOZMJFZZNWIDBH-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM CC1(C)C(=O)Nc2cc(-c3cccc([O-])c3Cl)ncc21 ZINC001242801341 823137279 /nfs/dbraw/zinc/13/72/79/823137279.db2.gz QQEUMSRDMMUINK-UHFFFAOYSA-N -1 1 288.734 3.337 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)OCO3)cc1F ZINC001211349322 814883450 /nfs/dbraw/zinc/88/34/50/814883450.db2.gz DBFCXJBDXYIRCT-UHFFFAOYSA-N -1 1 250.200 3.066 20 0 CGADMM CCOc1cc(C)c(-c2cc(F)c([O-])cc2F)cn1 ZINC001211351806 814884712 /nfs/dbraw/zinc/88/47/12/814884712.db2.gz DBDJQWCEXUJHHP-UHFFFAOYSA-N -1 1 265.259 3.440 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)OCCCO3)cc1F ZINC001211350942 814884947 /nfs/dbraw/zinc/88/49/47/814884947.db2.gz ZOYODTBEPKAPEV-UHFFFAOYSA-N -1 1 278.254 3.499 20 0 CGADMM Nc1cnc2cc(-c3cc(F)c([O-])cc3F)ccc2c1 ZINC001211360892 814886551 /nfs/dbraw/zinc/88/65/51/814886551.db2.gz ZDVSTAIQOWKYHX-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM CSc1cc(F)c([N-]c2noc3nccnc23)c(F)c1 ZINC001215841703 815612054 /nfs/dbraw/zinc/61/20/54/815612054.db2.gz ZMGHRCXODBJERU-UHFFFAOYSA-N -1 1 294.286 3.362 20 0 CGADMM COc1ccc(Nc2c([O-])cc(F)cc2F)cc1N ZINC001216256852 815757543 /nfs/dbraw/zinc/75/75/43/815757543.db2.gz AZFQTXYUTLPJQP-UHFFFAOYSA-N -1 1 266.247 3.005 20 0 CGADMM COc1cc(Nc2cccc(C(=O)[O-])c2C)ncc1C ZINC001216660223 815887717 /nfs/dbraw/zinc/88/77/17/815887717.db2.gz GMFDSFLOZACBNQ-UHFFFAOYSA-N -1 1 272.304 3.149 20 0 CGADMM CCc1cccnc1-c1noc(-c2c(C)cc(O)cc2[O-])n1 ZINC001216987142 815905710 /nfs/dbraw/zinc/90/57/10/815905710.db2.gz RVJSDANROLEOPI-UHFFFAOYSA-N -1 1 297.314 3.081 20 0 CGADMM Cc1nc2cccc(-c3ccccc3C(=O)[O-])c2[nH]1 ZINC001242878756 823162550 /nfs/dbraw/zinc/16/25/50/823162550.db2.gz ZIUSUWJYNCMHHH-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM [O-]c1cc(Cl)c(O[C@@H]2CCNCC2(F)F)cc1Cl ZINC001218006253 816047516 /nfs/dbraw/zinc/04/75/16/816047516.db2.gz KPLOFQKUWMPQOJ-SNVBAGLBSA-N -1 1 298.116 3.075 20 0 CGADMM [O-]c1cc(Cl)c(O[C@H]2CCNCC2(F)F)cc1Cl ZINC001218006252 816047844 /nfs/dbraw/zinc/04/78/44/816047844.db2.gz KPLOFQKUWMPQOJ-JTQLQIEISA-N -1 1 298.116 3.075 20 0 CGADMM CC(C)(C)c1ccc(C(=O)Nc2ccc(CO)cc2)c([O-])c1 ZINC001219058517 816264461 /nfs/dbraw/zinc/26/44/61/816264461.db2.gz WWLUEWAHKASBTK-UHFFFAOYSA-N -1 1 299.370 3.434 20 0 CGADMM O=C1OCc2cc(-c3cc(F)c([O-])cc3F)cc(F)c21 ZINC001222083277 816343169 /nfs/dbraw/zinc/34/31/69/816343169.db2.gz XKLMEHMUBAEDJP-UHFFFAOYSA-N -1 1 280.201 3.147 20 0 CGADMM C[C@@H](OCC[P@](=O)([O-])O)c1cc2ccccc2s1 ZINC001224607777 816832698 /nfs/dbraw/zinc/83/26/98/816832698.db2.gz VIVXIAPRRMCFKU-SECBINFHSA-N -1 1 286.289 3.157 20 0 CGADMM CSc1cc(C)nc(-c2ccc(F)c([O-])c2)n1 ZINC001243055004 823229980 /nfs/dbraw/zinc/22/99/80/823229980.db2.gz YERAFJYCZJMZHY-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM CCC[C@H]1CCCC[C@H]1OCCCC[P@](=O)([O-])O ZINC001225018639 816932675 /nfs/dbraw/zinc/93/26/75/816932675.db2.gz DGDJMBKNLXJMSG-QWHCGFSZSA-N -1 1 278.329 3.320 20 0 CGADMM C[C@H]1C[C@@H](OCCCC[P@](=O)([O-])O)CC(C)(C)C1 ZINC001225021422 816934561 /nfs/dbraw/zinc/93/45/61/816934561.db2.gz HGRNYGQIVQDAJZ-NWDGAFQWSA-N -1 1 278.329 3.176 20 0 CGADMM CC(=O)c1ccc([O-])cc1OC1Cc2ccccc2C1 ZINC001225616025 817114223 /nfs/dbraw/zinc/11/42/23/817114223.db2.gz DTRHUVMNZWWPFO-UHFFFAOYSA-N -1 1 268.312 3.141 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCC(F)(F)C1 ZINC001225619384 817115337 /nfs/dbraw/zinc/11/53/37/817115337.db2.gz ULNZSSHNIZSKCX-SNVBAGLBSA-N -1 1 256.248 3.161 20 0 CGADMM CCCC(=O)[C@H](CCC)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225678942 817138191 /nfs/dbraw/zinc/13/81/91/817138191.db2.gz MKEUSMUDXQPLSB-AWEZNQCLSA-N -1 1 294.347 3.217 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1OC(C(C)C)C(C)C ZINC001225680000 817139318 /nfs/dbraw/zinc/13/93/18/817139318.db2.gz UKLNFFOTXOFDIE-UHFFFAOYSA-N -1 1 266.337 3.360 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@@H]2CCOc3ccccc32)c1Cl ZINC001227110551 817559913 /nfs/dbraw/zinc/55/99/13/817559913.db2.gz AFCGJZNCDXWALP-LLVKDONJSA-N -1 1 292.722 3.047 20 0 CGADMM COc1cccc([C@@H](C)Oc2[n-]c(=O)nc(C)c2Cl)c1 ZINC001227111768 817561180 /nfs/dbraw/zinc/56/11/80/817561180.db2.gz QOLNLQXWBIEOOP-SECBINFHSA-N -1 1 294.738 3.293 20 0 CGADMM C[C@H](Oc1[n-]c(=O)ncc1Br)c1ccccc1 ZINC001227132942 817568188 /nfs/dbraw/zinc/56/81/88/817568188.db2.gz BFSJUNXNEDIAKX-QMMMGPOBSA-N -1 1 295.136 3.085 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001227171510 817579667 /nfs/dbraw/zinc/57/96/67/817579667.db2.gz DCUTUQBMCWYBTF-XHBSWPGZSA-N -1 1 292.375 3.425 20 0 CGADMM Cc1ccc2c(c1)CC[C@@H]2Oc1[n-]c(=S)ncc1F ZINC001227385929 817637306 /nfs/dbraw/zinc/63/73/06/817637306.db2.gz PABANPXWTXPWNQ-LBPRGKRZSA-N -1 1 276.336 3.279 20 0 CGADMM C[C@@H](Oc1[n-]c(=O)nc2c1COC2)c1ccccc1Cl ZINC001227690431 817694402 /nfs/dbraw/zinc/69/44/02/817694402.db2.gz MSOIVIBEVFSNSL-MRVPVSSYSA-N -1 1 292.722 3.006 20 0 CGADMM S=c1nc2cnccc2c(OC(C2CC2)C2CC2)[n-]1 ZINC001227880761 817742350 /nfs/dbraw/zinc/74/23/50/817742350.db2.gz DWHVJVVNGFZAHV-UHFFFAOYSA-N -1 1 273.361 3.255 20 0 CGADMM CSc1nc(O[C@@H](C)c2ccc(F)c(F)c2)cc(=O)[n-]1 ZINC001228094943 817811034 /nfs/dbraw/zinc/81/10/34/817811034.db2.gz OJJUBDQZMVLAOJ-ZETCQYMHSA-N -1 1 298.314 3.322 20 0 CGADMM Cc1cc(-c2cccc3nc[nH]c32)ccc1C(=O)[O-] ZINC001243213840 823295130 /nfs/dbraw/zinc/29/51/30/823295130.db2.gz BKRYNDAEOITGBK-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)Cc1ccco1 ZINC001228553929 817937220 /nfs/dbraw/zinc/93/72/20/817937220.db2.gz FKCJKZUXRKWEBC-JTQLQIEISA-N -1 1 290.315 3.294 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCC[C@@H]1C ZINC001228557785 817938452 /nfs/dbraw/zinc/93/84/52/817938452.db2.gz CFDIVKWOGADRCP-TVQRCGJNSA-N -1 1 264.321 3.258 20 0 CGADMM S=c1nncc(OC2c3ccccc3-c3ccccc32)[n-]1 ZINC001228641328 817961299 /nfs/dbraw/zinc/96/12/99/817961299.db2.gz CTOLTZANMOMLOF-UHFFFAOYSA-N -1 1 293.351 3.309 20 0 CGADMM CC1(C)C[C@H](Oc2[n-]c(=S)nc3ccccc32)CCO1 ZINC001228763874 818001286 /nfs/dbraw/zinc/00/12/86/818001286.db2.gz CTAAVUXDQDARDG-SNVBAGLBSA-N -1 1 290.388 3.255 20 0 CGADMM [O-]c1cccc(CN2CC(Oc3ccccc3)C2)c1Cl ZINC001232787811 818440997 /nfs/dbraw/zinc/44/09/97/818440997.db2.gz CDSXEAYHVWEOSR-UHFFFAOYSA-N -1 1 289.762 3.309 20 0 CGADMM C[C@]1(F)CCCCN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232931304 818476002 /nfs/dbraw/zinc/47/60/02/818476002.db2.gz MCIBYEKWDCEBIP-AWEZNQCLSA-N -1 1 273.298 3.385 20 0 CGADMM [O-]c1cnc(Cl)cc1CN(Cc1ccco1)C1CC1 ZINC001233039279 818508338 /nfs/dbraw/zinc/50/83/38/818508338.db2.gz SJDIHWMLSQAVDM-UHFFFAOYSA-N -1 1 278.739 3.198 20 0 CGADMM O=C1CCN(Cc2ccc([S-])cc2)[C@@H]2CCCC[C@H]12 ZINC001233258368 818556256 /nfs/dbraw/zinc/55/62/56/818556256.db2.gz CANAPQYJWRGTLB-LSDHHAIUSA-N -1 1 275.417 3.309 20 0 CGADMM CCOC(=O)CN(Cc1ccc([S-])cc1)C1CCCC1 ZINC001233262479 818561259 /nfs/dbraw/zinc/56/12/59/818561259.db2.gz IRPSONCKAZMYLC-UHFFFAOYSA-N -1 1 293.432 3.283 20 0 CGADMM COC(=O)Cc1ccccc1-c1ccc([O-])c(F)c1F ZINC001243341810 823355853 /nfs/dbraw/zinc/35/58/53/823355853.db2.gz DMXBZCQWDPHMDP-UHFFFAOYSA-N -1 1 278.254 3.053 20 0 CGADMM CC(C)(C)c1ncncc1-c1ccc([O-])c(F)c1F ZINC001243341598 823356313 /nfs/dbraw/zinc/35/63/13/823356313.db2.gz VKRHZMVOXLQYKT-UHFFFAOYSA-N -1 1 264.275 3.425 20 0 CGADMM [O-]c1ccc(-c2cnc3cccnc3c2)c(F)c1F ZINC001243342659 823356959 /nfs/dbraw/zinc/35/69/59/823356959.db2.gz NPRZDOKITVVQKU-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1cc(-c2ccc([O-])c(F)c2F)ccc1F ZINC001243342511 823357237 /nfs/dbraw/zinc/35/72/37/823357237.db2.gz PLMVMJAXZQPFNK-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM [O-]c1ccc(-c2ccc3nnccc3c2)c(F)c1F ZINC001243343064 823358613 /nfs/dbraw/zinc/35/86/13/823358613.db2.gz VQVOUYJNIOBACY-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1ccc(-c2cccc3nsnc32)c(F)c1F ZINC001243343259 823359294 /nfs/dbraw/zinc/35/92/94/823359294.db2.gz ZFVTXSMYWHDGBL-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM COC(=O)c1cccc2[n-]c(O[C@H](C)c3ccco3)nc21 ZINC001234042919 818764206 /nfs/dbraw/zinc/76/42/06/818764206.db2.gz BQGKISWNOHAGDJ-SECBINFHSA-N -1 1 286.287 3.083 20 0 CGADMM COC(=O)c1cccc2nc(O[C@H](C)c3ccco3)[n-]c21 ZINC001234042919 818764214 /nfs/dbraw/zinc/76/42/14/818764214.db2.gz BQGKISWNOHAGDJ-SECBINFHSA-N -1 1 286.287 3.083 20 0 CGADMM O=C([O-])/C=C/c1ccc(-c2ccc3cncn3c2)cc1 ZINC001235267672 819058163 /nfs/dbraw/zinc/05/81/63/819058163.db2.gz FKWYCZBJXBSCSW-FPYGCLRLSA-N -1 1 264.284 3.099 20 0 CGADMM O=C([O-])C=Cc1ccc(-c2cccc3nc[nH]c32)cc1 ZINC001235269640 819059570 /nfs/dbraw/zinc/05/95/70/819059570.db2.gz MVKMTEVVFJMIJS-RMKNXTFCSA-N -1 1 264.284 3.328 20 0 CGADMM Cc1ccc(-c2ccc(-c3nnn[n-]3)nc2)c(OC(C)C)c1 ZINC001243431990 823404014 /nfs/dbraw/zinc/40/40/14/823404014.db2.gz YAWYZZXOCYJWPY-UHFFFAOYSA-N -1 1 295.346 3.024 20 0 CGADMM Cc1ccc(-c2ccc(-c3nn[n-]n3)nc2)c(OC(C)C)c1 ZINC001243431990 823404016 /nfs/dbraw/zinc/40/40/16/823404016.db2.gz YAWYZZXOCYJWPY-UHFFFAOYSA-N -1 1 295.346 3.024 20 0 CGADMM Cc1nc2[nH]ccc2c(-c2c(F)ccc(C)c2[O-])n1 ZINC001236390029 819445927 /nfs/dbraw/zinc/44/59/27/819445927.db2.gz HOQVNSSHANHFGE-UHFFFAOYSA-N -1 1 257.268 3.038 20 0 CGADMM Cc1cc2c(ncnc2-c2c(F)ccc(C)c2[O-])[nH]1 ZINC001236391209 819447072 /nfs/dbraw/zinc/44/70/72/819447072.db2.gz IAWIFFLXAZTAPX-UHFFFAOYSA-N -1 1 257.268 3.086 20 0 CGADMM Cc1ccc(F)c(-c2cnc(OCC3CC3)cn2)c1[O-] ZINC001236415503 819461405 /nfs/dbraw/zinc/46/14/05/819461405.db2.gz PQALITXQCFSTRD-UHFFFAOYSA-N -1 1 274.295 3.086 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc(-c2nc[nH]n2)cc1 ZINC001243502653 823421533 /nfs/dbraw/zinc/42/15/33/823421533.db2.gz MMLOPDANSJDLPX-UHFFFAOYSA-N -1 1 273.242 3.123 20 0 CGADMM O=c1ccc2cc(-c3cc(F)cc(F)c3[O-])ccc2o1 ZINC001243502199 823421547 /nfs/dbraw/zinc/42/15/47/823421547.db2.gz GNQNLRZQOIVMST-UHFFFAOYSA-N -1 1 274.222 3.444 20 0 CGADMM CCOC(=O)Cc1ccccc1-c1cc(F)cc(F)c1[O-] ZINC001243503703 823422591 /nfs/dbraw/zinc/42/25/91/823422591.db2.gz KPZFUHYBXSKAOK-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cccc(-c2nc[nH]n2)c1 ZINC001243504361 823422599 /nfs/dbraw/zinc/42/25/99/823422599.db2.gz MNTIXTQHXVJQNW-UHFFFAOYSA-N -1 1 273.242 3.123 20 0 CGADMM CCc1c(F)cncc1-c1cc(F)cc(F)c1[O-] ZINC001243503300 823422667 /nfs/dbraw/zinc/42/26/67/823422667.db2.gz GPMAVTXVLQUFJC-UHFFFAOYSA-N -1 1 253.223 3.434 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc(OC(F)F)nc1 ZINC001243506183 823423814 /nfs/dbraw/zinc/42/38/14/823423814.db2.gz ZLOOIMSELYBSJE-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM C[S@](=N)(=O)c1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243506153 823424139 /nfs/dbraw/zinc/42/41/39/823424139.db2.gz QLGHFRDEOVILKX-IBGZPJMESA-N -1 1 283.299 3.373 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1CN(C)Cc1cccnc1C ZINC001238147190 819943163 /nfs/dbraw/zinc/94/31/63/819943163.db2.gz LGCOXPRCUBUTEZ-UHFFFAOYSA-N -1 1 284.359 3.029 20 0 CGADMM CCN(CC)Cc1c(Br)ccc([O-])c1F ZINC001238305583 819973335 /nfs/dbraw/zinc/97/33/35/819973335.db2.gz MWSPVRAKUYASFD-UHFFFAOYSA-N -1 1 276.149 3.136 20 0 CGADMM COc1ncc(-c2ccc(Cl)c([O-])c2)cc1F ZINC001243579208 823453110 /nfs/dbraw/zinc/45/31/10/823453110.db2.gz YYIGRBVFKCVIME-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM COC(=O)c1cc(C)c(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243580904 823453351 /nfs/dbraw/zinc/45/33/51/823453351.db2.gz GAXPLGPBNUZGLN-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Cc1nc2ccc(-c3ccc(Cl)c([O-])c3)cn2n1 ZINC001243578052 823452071 /nfs/dbraw/zinc/45/20/71/823452071.db2.gz KQFSEOYUEDIYKD-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM CC(=O)Nc1cccnc1-c1ccc(Cl)c([O-])c1 ZINC001243583344 823454975 /nfs/dbraw/zinc/45/49/75/823454975.db2.gz LUVHKGWLRWCFCU-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM O=C([O-])C=Cc1cccc(-c2cc3nc[nH]c3cc2F)c1 ZINC001240551326 821138005 /nfs/dbraw/zinc/13/80/05/821138005.db2.gz UEYXVURPPRHVRQ-SNAWJCMRSA-N -1 1 282.274 3.467 20 0 CGADMM [O-]c1ccc(F)cc1-c1ccnc(-c2cncs2)n1 ZINC001240696269 821251957 /nfs/dbraw/zinc/25/19/57/821251957.db2.gz KRUMHMNIBAEUOR-UHFFFAOYSA-N -1 1 273.292 3.112 20 0 CGADMM Cc1ccc(-c2cnnc(-c3ccc([O-])c(F)c3)n2)cc1 ZINC001240781805 821320990 /nfs/dbraw/zinc/32/09/90/821320990.db2.gz JICWVGFWICAHPN-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM [O-]c1ccc(-c2nnc3c(c2C(F)(F)F)CCC3)cc1F ZINC001240782728 821321614 /nfs/dbraw/zinc/32/16/14/821321614.db2.gz GVHFCWHOFQFNGX-UHFFFAOYSA-N -1 1 298.239 3.496 20 0 CGADMM CCOC(=O)c1cc(C)cnc1-c1ccc([O-])c(F)c1 ZINC001240782212 821322310 /nfs/dbraw/zinc/32/23/10/821322310.db2.gz UOZUYQLRWYPXEL-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM [O-]c1ccc(-c2cc(-c3ccccn3)ncn2)cc1F ZINC001240783049 821322710 /nfs/dbraw/zinc/32/27/10/821322710.db2.gz NXWMZXGDTOXMLT-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM COc1cc(C(F)(F)F)nc(-c2ccc([O-])c(F)c2)n1 ZINC001240786662 821326252 /nfs/dbraw/zinc/32/62/52/821326252.db2.gz YOBZRNRMSWQVJZ-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM O=C([O-])c1ccc(-c2nc[nH]c3nc(=S)sc2-3)s1 ZINC001240843015 821363915 /nfs/dbraw/zinc/36/39/15/821363915.db2.gz BKCBILUOAXKJES-UHFFFAOYSA-N -1 1 295.370 3.127 20 0 CGADMM Cc1nc(-c2ccc(C(=O)[O-])s2)cc2[nH]ccc21 ZINC001240843005 821364112 /nfs/dbraw/zinc/36/41/12/821364112.db2.gz BBQYGCKOBZPAQV-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccccc3O)cc2[n-]1 ZINC001241019475 821495719 /nfs/dbraw/zinc/49/57/19/821495719.db2.gz BAOQNXVRZDTLEH-UHFFFAOYSA-N -1 1 282.299 3.112 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccccc3O)ccc2[n-]1 ZINC001241019475 821495723 /nfs/dbraw/zinc/49/57/23/821495723.db2.gz BAOQNXVRZDTLEH-UHFFFAOYSA-N -1 1 282.299 3.112 20 0 CGADMM COc1ccc2nc(-c3ccc(C)cc3[O-])ncc2c1 ZINC001241030088 821505183 /nfs/dbraw/zinc/50/51/83/821505183.db2.gz CWDGUBHALRJPSQ-UHFFFAOYSA-N -1 1 266.300 3.319 20 0 CGADMM Cc1ccc(-c2nccc(N3CCCCC3)n2)c([O-])c1 ZINC001241035849 821511586 /nfs/dbraw/zinc/51/15/86/821511586.db2.gz GGBPNIAJJOLNHN-UHFFFAOYSA-N -1 1 269.348 3.148 20 0 CGADMM Cc1nc(-c2c(F)cc([O-])cc2F)cc(C(F)(F)F)n1 ZINC001241117543 821573020 /nfs/dbraw/zinc/57/30/20/821573020.db2.gz ROTADJLPRBKPQQ-UHFFFAOYSA-N -1 1 290.191 3.455 20 0 CGADMM COC(=O)c1cc(-c2c(F)cc([O-])cc2F)ccc1C ZINC001241118938 821574268 /nfs/dbraw/zinc/57/42/68/821574268.db2.gz IWKZDDGDYNVWFJ-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM [O-]c1cc(F)c(-c2cccc(C3COC3)c2)c(F)c1 ZINC001241120874 821576958 /nfs/dbraw/zinc/57/69/58/821576958.db2.gz POETXWNBAYXSEC-UHFFFAOYSA-N -1 1 262.255 3.451 20 0 CGADMM Nc1cnc2c(cccc2-c2c(F)cc([O-])cc2F)c1 ZINC001241121405 821577019 /nfs/dbraw/zinc/57/70/19/821577019.db2.gz JEGMWHIWHHHTKK-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM CCOc1ncccc1-c1c(F)cc([O-])cc1F ZINC001241120832 821577653 /nfs/dbraw/zinc/57/76/53/821577653.db2.gz NVHXQSQQPVPUND-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM CN(C)C(=O)c1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241121743 821579161 /nfs/dbraw/zinc/57/91/61/821579161.db2.gz FGWOOFFHEFQPSZ-UHFFFAOYSA-N -1 1 277.270 3.039 20 0 CGADMM CC(=O)Nc1ccc(-c2c(F)cc([O-])cc2F)cc1F ZINC001241122730 821579979 /nfs/dbraw/zinc/57/99/79/821579979.db2.gz XIRMYCOAKZFRGD-UHFFFAOYSA-N -1 1 281.233 3.435 20 0 CGADMM COc1cccc(OC)c1-c1c(F)cc([O-])cc1F ZINC001241123074 821580035 /nfs/dbraw/zinc/58/00/35/821580035.db2.gz TYACKOORNNFGJH-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM Cn1c(=O)ccc2ccc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241125177 821581372 /nfs/dbraw/zinc/58/13/72/821581372.db2.gz TZPATLDKOXZWLL-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3sccc32)c1F ZINC001241290225 821707025 /nfs/dbraw/zinc/70/70/25/821707025.db2.gz JJBFTOUHDXCORM-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM CCOC(=O)c1ccc(-c2c(F)ccc([O-])c2F)nc1C ZINC001241291388 821708154 /nfs/dbraw/zinc/70/81/54/821708154.db2.gz YNPQDMNKWKJXNG-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM CC(C)Cc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001241326002 821732966 /nfs/dbraw/zinc/73/29/66/821732966.db2.gz PYVDOCRWRWSGJS-UHFFFAOYSA-N -1 1 279.347 3.127 20 0 CGADMM CC(C)Cc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001241326002 821732970 /nfs/dbraw/zinc/73/29/70/821732970.db2.gz PYVDOCRWRWSGJS-UHFFFAOYSA-N -1 1 279.347 3.127 20 0 CGADMM CC(C)C1=NCCc2ccc(-c3cncc(C(=O)[O-])c3)cc21 ZINC001241802583 822151217 /nfs/dbraw/zinc/15/12/17/822151217.db2.gz LQCDTIORIDHBNR-UHFFFAOYSA-N -1 1 294.354 3.448 20 0 CGADMM Cc1c2[nH]cnc2ccc1-c1cc(F)cc(C(=O)[O-])c1 ZINC001241829335 822167205 /nfs/dbraw/zinc/16/72/05/822167205.db2.gz YFORBPGMTDDYRL-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM Cc1c([S-])ccc(-c2ccc3[nH]nnc3c2)c1F ZINC001241941994 822234981 /nfs/dbraw/zinc/23/49/81/822234981.db2.gz HGMQZQLZFLYFEO-UHFFFAOYSA-N -1 1 259.309 3.361 20 0 CGADMM Cc1c([S-])ccc(-c2ccc3nn[nH]c3c2)c1F ZINC001241941994 822234983 /nfs/dbraw/zinc/23/49/83/822234983.db2.gz HGMQZQLZFLYFEO-UHFFFAOYSA-N -1 1 259.309 3.361 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1ccc(F)nn1 ZINC001242131099 822888891 /nfs/dbraw/zinc/88/88/91/822888891.db2.gz BEHCTDMBPYNVSH-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM [O-]c1ccc(-c2ncc3c(n2)CCCN3)cc1C(F)(F)F ZINC001242150933 822895486 /nfs/dbraw/zinc/89/54/86/822895486.db2.gz AFCKZSSDCWRQDC-UHFFFAOYSA-N -1 1 295.264 3.226 20 0 CGADMM Cc1ncnc(-c2ccc([O-])c(C(F)(F)F)c2)c1C ZINC001242151684 822895674 /nfs/dbraw/zinc/89/56/74/822895674.db2.gz UFDBHCGYICSJII-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM Cn1ccc2nc(-c3ccc([O-])c(C(F)(F)F)c3)ncc21 ZINC001242151856 822895920 /nfs/dbraw/zinc/89/59/20/822895920.db2.gz WBZILLBEBMHAHB-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM NC(=S)c1cccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242152304 822896018 /nfs/dbraw/zinc/89/60/18/822896018.db2.gz CDDRRABQFFDNNO-UHFFFAOYSA-N -1 1 298.289 3.107 20 0 CGADMM [O-]c1ccc(-c2ncc3c(n2)CCC3)cc1C(F)(F)F ZINC001242151491 822896257 /nfs/dbraw/zinc/89/62/57/822896257.db2.gz PMQDGMCJUSSWGL-UHFFFAOYSA-N -1 1 280.249 3.357 20 0 CGADMM COc1cncc(OC)c1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242162356 822900110 /nfs/dbraw/zinc/90/01/10/822900110.db2.gz MDTTULUKNURIOX-UHFFFAOYSA-N -1 1 299.248 3.490 20 0 CGADMM [O-]c1ccc(-c2cccn3cnnc23)cc1C(F)(F)F ZINC001242161774 822900487 /nfs/dbraw/zinc/90/04/87/822900487.db2.gz CKGMQGWLTQLWBE-UHFFFAOYSA-N -1 1 279.221 3.121 20 0 CGADMM [O-]c1cc(F)ccc1-c1cnc(C(F)(F)F)nc1 ZINC001242218150 822914826 /nfs/dbraw/zinc/91/48/26/822914826.db2.gz VFVUEKLOSYPGEN-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM COC(=O)c1ccc(F)c(-c2ccc(F)cc2[O-])c1 ZINC001242217633 822914898 /nfs/dbraw/zinc/91/48/98/822914898.db2.gz RAMSWSCQQKFYLC-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM CSc1ncc(-c2ccc(F)cc2[O-])c(C)n1 ZINC001242221002 822916856 /nfs/dbraw/zinc/91/68/56/822916856.db2.gz HEQGMHBOBVCPGL-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM CCOC(=O)c1ccccc1-c1ccc(F)cc1[O-] ZINC001242221881 822917192 /nfs/dbraw/zinc/91/71/92/822917192.db2.gz YUGPNBACXBXXFD-UHFFFAOYSA-N -1 1 260.264 3.375 20 0 CGADMM [O-]c1cc(F)ccc1-c1c2ncnn2ccc1C(F)(F)F ZINC001242222040 822917240 /nfs/dbraw/zinc/91/72/40/822917240.db2.gz SNLDNFZMLFRAPD-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM CCOC(=O)c1ccccc1-c1cccc(F)c1[O-] ZINC001242350202 822960339 /nfs/dbraw/zinc/96/03/39/822960339.db2.gz CJMOQJFUFNQMIZ-UHFFFAOYSA-N -1 1 260.264 3.375 20 0 CGADMM COc1cc(F)c(-c2cccc(F)c2[O-])c(F)c1 ZINC001242351372 822961231 /nfs/dbraw/zinc/96/12/31/822961231.db2.gz IDIRWJIZLDPVOD-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COC(=O)c1ccc(C)cc1-c1cccc(F)c1[O-] ZINC001242351395 822961494 /nfs/dbraw/zinc/96/14/94/822961494.db2.gz IXOQJPIOIDGWAU-UHFFFAOYSA-N -1 1 260.264 3.293 20 0 CGADMM COC(=O)Cc1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242364527 822968159 /nfs/dbraw/zinc/96/81/59/822968159.db2.gz MHOLLOUMVXJODT-UHFFFAOYSA-N -1 1 276.719 3.428 20 0 CGADMM COCCOc1cc(-c2cccc(Cl)c2[O-])ccn1 ZINC001242366541 822969141 /nfs/dbraw/zinc/96/91/41/822969141.db2.gz ZYCALVUAMGYPMM-UHFFFAOYSA-N -1 1 279.723 3.133 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC2(C1)CCCC2 ZINC001343090461 936488721 /nfs/dbraw/zinc/48/87/21/936488721.db2.gz QPQVOAITVNEUMO-UHFFFAOYSA-N -1 1 265.740 3.062 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1c(F)cc(OC)cc1F ZINC001354863829 937114926 /nfs/dbraw/zinc/11/49/26/937114926.db2.gz WEMTZXYKHVIMEC-UHFFFAOYSA-N -1 1 296.273 3.085 20 0 CGADMM CC(C)[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC001225765245 927190591 /nfs/dbraw/zinc/19/05/91/927190591.db2.gz JZYAKUJSFNUYMS-ZDUSSCGKSA-N -1 1 276.361 3.247 20 0 CGADMM O=C(Nc1ccccc1)Nc1cc(F)cc(F)c1[O-] ZINC000168428071 927328005 /nfs/dbraw/zinc/32/80/05/927328005.db2.gz HTCAHLFYNFNUNB-UHFFFAOYSA-N -1 1 264.231 3.314 20 0 CGADMM CCCc1ccc(CCCC(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001364137850 937232921 /nfs/dbraw/zinc/23/29/21/937232921.db2.gz HLUHJFWHQZYMSG-UHFFFAOYSA-N -1 1 287.363 3.029 20 0 CGADMM Cc1ccc(C2=CCN(C(=O)c3ccc([O-])cn3)CC2)cc1 ZINC001442654504 937343376 /nfs/dbraw/zinc/34/33/76/937343376.db2.gz HIIKNZBBZZQJLS-UHFFFAOYSA-N -1 1 294.354 3.025 20 0 CGADMM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1ccc([O-])cn1 ZINC001442751506 937344202 /nfs/dbraw/zinc/34/42/02/937344202.db2.gz BBVCDFWYFGKHPY-GXTWGEPZSA-N -1 1 290.407 3.370 20 0 CGADMM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1ncccc1[O-] ZINC001443161686 937345783 /nfs/dbraw/zinc/34/57/83/937345783.db2.gz LQFIZYWHPYHSOA-QWHCGFSZSA-N -1 1 276.380 3.122 20 0 CGADMM Cc1ccc(C(C)(C)CNC(=O)c2ncc(C)cc2[O-])cc1 ZINC001443409404 937346748 /nfs/dbraw/zinc/34/67/48/937346748.db2.gz SYIHBHNCUASOFE-UHFFFAOYSA-N -1 1 298.386 3.112 20 0 CGADMM C[C@H]1CC(NC(=O)c2ccc(F)c([O-])c2)C[C@H](C)C1 ZINC001444364057 937351844 /nfs/dbraw/zinc/35/18/44/937351844.db2.gz QXNJOMZMKUWWKP-NXEZZACHSA-N -1 1 265.328 3.086 20 0 CGADMM CCC(CC)(CC)CNC(=O)c1ncc(C)cc1[O-] ZINC001446002052 937360861 /nfs/dbraw/zinc/36/08/61/937360861.db2.gz UGMJHRNOESNQDI-UHFFFAOYSA-N -1 1 264.369 3.042 20 0 CGADMM Cc1ccccc1C(F)(F)C(=O)[N-]N1[C@@H](C)CCC[C@@H]1C ZINC001449322559 937378736 /nfs/dbraw/zinc/37/87/36/937378736.db2.gz RCNZWZUJLXZGLZ-STQMWFEESA-N -1 1 296.361 3.381 20 0 CGADMM C[C@H]1C[C@H](C(=O)[N-]Oc2ccc(F)cc2)C[C@@H](C)C1 ZINC001453034223 937400354 /nfs/dbraw/zinc/40/03/54/937400354.db2.gz OIDJNHGYZGOSSF-GDNZZTSVSA-N -1 1 265.328 3.308 20 0 CGADMM Cc1ccccc1[C@@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001454291086 937407444 /nfs/dbraw/zinc/40/74/44/937407444.db2.gz ZAQXHQHBRUJVLP-LLVKDONJSA-N -1 1 273.307 3.331 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C(F)(F)Cc1ccccc1 ZINC001454775060 937412282 /nfs/dbraw/zinc/41/22/82/937412282.db2.gz UPJHXVLHQIMJRO-UHFFFAOYSA-N -1 1 295.260 3.348 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc2cnccc2c1 ZINC001457760429 937445416 /nfs/dbraw/zinc/44/54/16/937445416.db2.gz IMYQDNMFISQIAO-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM CCC[C@H](NC(=O)c1ccc(F)c([O-])c1)C(C)(C)C ZINC001158438296 931980504 /nfs/dbraw/zinc/98/05/04/931980504.db2.gz NTFPBKQGPUQGPS-ZDUSSCGKSA-N -1 1 267.344 3.476 20 0 CGADMM CCCC[C@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135967 932102795 /nfs/dbraw/zinc/10/27/95/932102795.db2.gz SPVIMGQPRZUUPA-JTQLQIEISA-N -1 1 262.305 3.456 20 0 CGADMM CC[C@@H](C)[C@@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135890 932103609 /nfs/dbraw/zinc/10/36/09/932103609.db2.gz RYUNHDCLECIOKM-NXEZZACHSA-N -1 1 262.305 3.312 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)C1CCOCC1 ZINC001229475459 932157474 /nfs/dbraw/zinc/15/74/74/932157474.db2.gz WXVRZCMBTDAGKQ-LLVKDONJSA-N -1 1 278.348 3.179 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@@H]1CC(F)(F)C1(F)F ZINC001229477890 932157855 /nfs/dbraw/zinc/15/78/55/932157855.db2.gz QTMRLIPUPAOUAJ-LLVKDONJSA-N -1 1 292.228 3.407 20 0 CGADMM CC[C@@H](COc1nc2c(cc(Cl)nc2Cl)[n-]1)OC ZINC001231049657 932665737 /nfs/dbraw/zinc/66/57/37/932665737.db2.gz MVTMMYRFOLLEAA-LURJTMIESA-N -1 1 290.150 3.069 20 0 CGADMM CC[C@@H](COc1nc2cc(Cl)nc(Cl)c2[n-]1)OC ZINC001231049657 932665739 /nfs/dbraw/zinc/66/57/39/932665739.db2.gz MVTMMYRFOLLEAA-LURJTMIESA-N -1 1 290.150 3.069 20 0 CGADMM CC1(C)CCC[C@@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001304012236 932839856 /nfs/dbraw/zinc/83/98/56/932839856.db2.gz JGKSTGAUTPTOKF-GFCCVEGCSA-N -1 1 297.345 3.155 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H]2C[C@@H]3CCC[C@H]3O2)n1 ZINC001307254297 932934381 /nfs/dbraw/zinc/93/43/81/932934381.db2.gz ZCRMGEQNAYHKEN-WCFLWFBJSA-N -1 1 294.420 3.184 20 0 CGADMM O=C([N-]c1cscc1Cl)c1c(F)ccnc1F ZINC001462557044 937650283 /nfs/dbraw/zinc/65/02/83/937650283.db2.gz OBIXSNAKKYBXPD-UHFFFAOYSA-N -1 1 274.679 3.327 20 0 CGADMM Cc1cncc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC001465611250 937702407 /nfs/dbraw/zinc/70/24/07/937702407.db2.gz XTZAABZPSBKSSP-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1csc(Cl)n1 ZINC001468748015 937731234 /nfs/dbraw/zinc/73/12/34/937731234.db2.gz RAALTZLTSPMMTF-UHFFFAOYSA-N -1 1 290.678 3.033 20 0 CGADMM CCc1ccccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001468748307 937731247 /nfs/dbraw/zinc/73/12/47/937731247.db2.gz WUJAYNWDAYEHTJ-UHFFFAOYSA-N -1 1 277.270 3.485 20 0 CGADMM O=C(Cc1ccc(F)c(F)c1)Nc1cc([O-])c(F)cc1F ZINC001468748615 937731480 /nfs/dbraw/zinc/73/14/80/937731480.db2.gz ZKJJQSINNYWQFU-UHFFFAOYSA-N -1 1 299.223 3.130 20 0 CGADMM COC[C@H](CC(C)(C)C)NC(=O)c1ccc(Cl)cc1[O-] ZINC001469522295 937740246 /nfs/dbraw/zinc/74/02/46/937740246.db2.gz XAHLINLUYKVMHX-NSHDSACASA-N -1 1 299.798 3.227 20 0 CGADMM COc1ccsc1C(=O)[N-]c1ncccc1SC ZINC001469788468 937743870 /nfs/dbraw/zinc/74/38/70/937743870.db2.gz YAEKCERCCULGHA-UHFFFAOYSA-N -1 1 280.374 3.126 20 0 CGADMM Nc1ccc(Cl)cc1C(=O)Nc1cccc(F)c1[O-] ZINC001471168473 937762048 /nfs/dbraw/zinc/76/20/48/937762048.db2.gz PHWNQJHNYSBPTN-UHFFFAOYSA-N -1 1 280.686 3.019 20 0 CGADMM O=C(Nc1nc2ccsc2s1)c1ccc(O)cc1[O-] ZINC001323595154 934410088 /nfs/dbraw/zinc/41/00/88/934410088.db2.gz HXFDELCIIDVHIP-UHFFFAOYSA-N -1 1 292.341 3.021 20 0 CGADMM CC(C)n1cc(Cl)c(NC(=O)c2ccc([O-])c(F)c2)n1 ZINC001471936469 937770430 /nfs/dbraw/zinc/77/04/30/937770430.db2.gz IGZDSEXTGRPRTA-UHFFFAOYSA-N -1 1 297.717 3.214 20 0 CGADMM O=C(NC[C@@H]1CCC=CCCC1)c1ccc([O-])cc1F ZINC001472304002 937775249 /nfs/dbraw/zinc/77/52/49/937775249.db2.gz UIMXUMLWYHALQJ-GFCCVEGCSA-N -1 1 277.339 3.398 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)C1CC2(CC2)C1 ZINC001328482434 935142496 /nfs/dbraw/zinc/14/24/96/935142496.db2.gz ZHFIZGGTONCOGG-UHFFFAOYSA-N -1 1 296.164 3.283 20 0 CGADMM C[C@@H]1CN(Cc2cc(=O)[nH]c(C3CC3)n2)Cc2ccccc21 ZINC001331111715 935350538 /nfs/dbraw/zinc/35/05/38/935350538.db2.gz RNCBURBKXPMFSJ-GFCCVEGCSA-N -1 1 295.386 3.179 20 0 CGADMM CCCCN(C(=O)c1cnncc1[O-])[C@@H](C)c1ccccc1 ZINC001335741443 936157971 /nfs/dbraw/zinc/15/79/71/936157971.db2.gz IRCRSQWTHPKARR-ZDUSSCGKSA-N -1 1 299.374 3.186 20 0 CGADMM Cc1nocc1[N-]C(=O)c1nc(-c2ccccc2)oc1C ZINC001530360203 938077340 /nfs/dbraw/zinc/07/73/40/938077340.db2.gz QRWVMMXJYSACBT-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM CCOC(=O)c1cnc(NC(=O)CCCC[C@H](C)CC)[n-]1 ZINC001540013299 938127454 /nfs/dbraw/zinc/12/74/54/938127454.db2.gz FGLPUSCQFAZNNZ-LLVKDONJSA-N -1 1 295.383 3.131 20 0 CGADMM CCOC(=O)c1c[n-]c(NC(=O)CCCC[C@H](C)CC)n1 ZINC001540013299 938127455 /nfs/dbraw/zinc/12/74/55/938127455.db2.gz FGLPUSCQFAZNNZ-LLVKDONJSA-N -1 1 295.383 3.131 20 0 CGADMM O=C(Nc1ccc2ncccc2c1)c1cccc([O-])c1F ZINC001540846933 938134416 /nfs/dbraw/zinc/13/44/16/938134416.db2.gz LFPBTYUTSRJWMO-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCCC12CCOCC2 ZINC001553613439 938200060 /nfs/dbraw/zinc/20/00/60/938200060.db2.gz QBYRPUOFDGCJIQ-LLVKDONJSA-N -1 1 293.338 3.067 20 0 CGADMM O=C(NC12CCC(CC1)C2)c1ccc(C(F)(F)F)cc1[O-] ZINC001556174789 938202239 /nfs/dbraw/zinc/20/22/39/938202239.db2.gz VXYIALKMVIXZHS-UHFFFAOYSA-N -1 1 299.292 3.474 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1cccc2[nH]ccc21 ZINC001556919731 938206422 /nfs/dbraw/zinc/20/64/22/938206422.db2.gz NGDQBRGDFPFCMS-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@H](C2CCCC2)C1 ZINC001557101210 938207988 /nfs/dbraw/zinc/20/79/88/938207988.db2.gz MDXPZIOWWGKGNC-ZDUSSCGKSA-N -1 1 277.339 3.184 20 0 CGADMM Cc1cc(NC(=O)c2ccc([O-])cn2)cc(C(F)(F)F)c1 ZINC001557397645 938209638 /nfs/dbraw/zinc/20/96/38/938209638.db2.gz ILRUMYWIKUKWMV-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM COc1cc(Cl)ccc1C(=O)Nc1cccc(F)c1[O-] ZINC001557956939 938212589 /nfs/dbraw/zinc/21/25/89/938212589.db2.gz OQXUPHBHGMMLNA-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H]2CC[C@@H](C)C2)n1 ZINC001559324156 938225354 /nfs/dbraw/zinc/22/53/54/938225354.db2.gz FBXMRWMCFUZLTE-MWLCHTKSSA-N -1 1 252.383 3.415 20 0 CGADMM C[C@@H](CC1CCC1)[N-]S(=O)(=O)c1sccc1Cl ZINC001561797735 938296627 /nfs/dbraw/zinc/29/66/27/938296627.db2.gz RDWVGXYUQDHSPD-QMMMGPOBSA-N -1 1 293.841 3.259 20 0 CGADMM O=C([O-])[C@H]1CN(Cc2ccccc2F)Cc2ccccc21 ZINC000087612472 949096082 /nfs/dbraw/zinc/09/60/82/949096082.db2.gz AEVBGGPUUNREFW-HNNXBMFYSA-N -1 1 285.318 3.010 20 0 CGADMM O=C([O-])c1ccc(CN2CC[C@H]2c2ccc(F)cc2)cc1 ZINC001595227535 949322345 /nfs/dbraw/zinc/32/23/45/949322345.db2.gz VNBCDTPFUVLZKY-INIZCTEOSA-N -1 1 285.318 3.471 20 0 CGADMM CCN(Cc1c(F)cccc1Cl)C(C)(C)C(=O)[O-] ZINC000061175050 957577070 /nfs/dbraw/zinc/57/70/70/957577070.db2.gz LKUKXMMBURZYNP-UHFFFAOYSA-N -1 1 273.735 3.164 20 0 CGADMM CCC[C@](C)(NCc1ccc([C@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000086731857 957979513 /nfs/dbraw/zinc/97/95/13/957979513.db2.gz KCHYLWFFRWYRGO-WBIUFABUSA-N -1 1 265.353 3.136 20 0 CGADMM C[C@H](NCc1cc(C(=O)[O-])ccc1F)c1ccsc1 ZINC000231031374 960183595 /nfs/dbraw/zinc/18/35/95/960183595.db2.gz LRPIGOVWSCXIAF-VIFPVBQESA-N -1 1 279.336 3.436 20 0 CGADMM Cc1cc(Cl)nc(C(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001569012501 961664601 /nfs/dbraw/zinc/66/46/01/961664601.db2.gz ABGUHEUUTLHMBH-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM C=Cc1ccc(CCNC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001569463607 961781873 /nfs/dbraw/zinc/78/18/73/961781873.db2.gz WKEJROSTKOGEQN-UHFFFAOYSA-N -1 1 285.318 3.147 20 0 CGADMM Cc1c(F)cccc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001570465788 961974864 /nfs/dbraw/zinc/97/48/64/961974864.db2.gz OYGTXWCDBNJBLH-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM C[C@H]1CCC[C@@H](CNC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001583401377 962799886 /nfs/dbraw/zinc/79/98/86/962799886.db2.gz DUSVHZGSZSJUKJ-QWHCGFSZSA-N -1 1 298.386 3.497 20 0 CGADMM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1ccc([O-])cc1F ZINC001584869577 962956571 /nfs/dbraw/zinc/95/65/71/962956571.db2.gz QMASZIVTGQMAJM-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(F)c([O-])c1 ZINC001586721139 963132072 /nfs/dbraw/zinc/13/20/72/963132072.db2.gz VIHTYCRCJUSVFS-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001587543840 963202248 /nfs/dbraw/zinc/20/22/48/963202248.db2.gz GUKVNYIGIDNVES-GWCFXTLKSA-N -1 1 279.355 3.476 20 0 CGADMM COc1c(F)cc(F)cc1NC(=O)c1ccc(F)c([O-])c1 ZINC001587877374 963232145 /nfs/dbraw/zinc/23/21/45/963232145.db2.gz QEXHSYMEERMVQL-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM CC(C)(C)[C@@H](CC(=O)[O-])[NH2+]Cc1cccc([O-])c1Cl ZINC001589710266 964017796 /nfs/dbraw/zinc/01/77/96/964017796.db2.gz KSYWEVFJBUGSPQ-LLVKDONJSA-N -1 1 285.771 3.025 20 0 CGADMM C[C@H](NCCSC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000397394720 972998076 /nfs/dbraw/zinc/99/80/76/972998076.db2.gz ZUVBMIOSGDHUCW-QMMMGPOBSA-N -1 1 288.438 3.024 20 0 CGADMM CC(C)c1[nH]c(CN2CCC[C@H](CF)C2)cc1C(=O)[O-] ZINC001591912385 976345273 /nfs/dbraw/zinc/34/52/73/976345273.db2.gz LUXLHMCIZSDXOX-LLVKDONJSA-N -1 1 282.359 3.018 20 0 CGADMM CC(C)c1ccccc1CNCc1ccc(C(=O)[O-])o1 ZINC001591994283 976630056 /nfs/dbraw/zinc/63/00/56/976630056.db2.gz HMUIBDKVIYVENU-UHFFFAOYSA-N -1 1 273.332 3.391 20 0 CGADMM CC[C@H]1CCCN([C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001595458721 981133384 /nfs/dbraw/zinc/13/33/84/981133384.db2.gz LDRLVYGVKSVTNS-MNOVXSKESA-N -1 1 282.409 3.414 20 0 CGADMM CC[C@H]1CN(Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)CCS1 ZINC001595489444 981238583 /nfs/dbraw/zinc/23/85/83/981238583.db2.gz VFXINTZDYTZZTI-LBPRGKRZSA-N -1 1 296.436 3.164 20 0 CGADMM CCCC1CCN([C@@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001595623076 981717130 /nfs/dbraw/zinc/71/71/30/981717130.db2.gz BQGHMQSQUCRZIG-JTQLQIEISA-N -1 1 282.409 3.414 20 0 CGADMM CCC(C)(CC)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001594830617 982014525 /nfs/dbraw/zinc/01/45/25/982014525.db2.gz ZAOMHDINHORJBZ-UHFFFAOYSA-N -1 1 289.335 3.026 20 0 CGADMM CCCCC[C@@H]1CCCN1Cc1ncc(C(=O)[O-])s1 ZINC001595690931 982203340 /nfs/dbraw/zinc/20/33/40/982203340.db2.gz XKZLWGVRPRXSAB-LLVKDONJSA-N -1 1 282.409 3.386 20 0 CGADMM C[C@H]1Oc2ccccc2[C@@H]1NCc1csc(C(=O)[O-])c1 ZINC001594655991 986900937 /nfs/dbraw/zinc/90/09/37/986900937.db2.gz ZTGCQGATFFDHIL-YMTOWFKASA-N -1 1 289.356 3.058 20 0 CGADMM CC[C@@H](NCc1ccc(C(=O)[O-])n1C)c1ccccc1F ZINC001597291627 987380724 /nfs/dbraw/zinc/38/07/24/987380724.db2.gz OYQWVXGVXCHHJI-CQSZACIVSA-N -1 1 290.338 3.103 20 0 CGADMM CC(C)[C@@H]1CCCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001591086754 991603829 /nfs/dbraw/zinc/60/38/29/991603829.db2.gz DQSHUOYNHJKFDW-WDEREUQCSA-N -1 1 282.409 3.270 20 0 CGADMM CC(C)N(CCC(=O)[O-])Cc1cncc(Cl)c1Cl ZINC001591587205 992796941 /nfs/dbraw/zinc/79/69/41/992796941.db2.gz XSHWCHMBCZBFLD-UHFFFAOYSA-N -1 1 291.178 3.074 20 0 CGADMM C[C@H](N[C@H]1C=CCCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593210614 994250965 /nfs/dbraw/zinc/25/09/65/994250965.db2.gz QMOABVNEMMJFJF-QWRGUYRKSA-N -1 1 280.393 3.381 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N(C)CC1CCCC1 ZINC001593731491 996302406 /nfs/dbraw/zinc/30/24/06/996302406.db2.gz GEXGFQQWUMTBMS-SECBINFHSA-N -1 1 268.382 3.024 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@@H]1C1CCCC1 ZINC000651586308 398256131 /nfs/dbraw/zinc/25/61/31/398256131.db2.gz XIZLPGFEWYVBMY-GHMZBOCLSA-N -1 1 263.312 3.296 20 0 CGADMM CCc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1C ZINC000436993612 529674540 /nfs/dbraw/zinc/67/45/40/529674540.db2.gz DZXDVKLURFUWEX-UHFFFAOYSA-N -1 1 283.327 3.084 20 0 CGADMM CC[C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436752912 529687147 /nfs/dbraw/zinc/68/71/47/529687147.db2.gz SLWQUTVCMGQMIV-QMMMGPOBSA-N -1 1 275.270 3.282 20 0 CGADMM CN(Cc1ccc[nH]1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436573075 529992329 /nfs/dbraw/zinc/99/23/29/529992329.db2.gz BEJIPTQCZQRILZ-UHFFFAOYSA-N -1 1 280.327 3.146 20 0 CGADMM Cc1cc(CNC(=O)c2cc(Cl)ccc2[O-])ccc1F ZINC000029774594 344919773 /nfs/dbraw/zinc/91/97/73/344919773.db2.gz DKNWTADEGPJTKB-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2cc(F)c(F)cc2F)on1 ZINC000070852325 345396913 /nfs/dbraw/zinc/39/69/13/345396913.db2.gz KLYYEVOVYWTSFW-UHFFFAOYSA-N -1 1 284.237 3.468 20 0 CGADMM CCc1cc(CNC(=O)c2cc3ccccc3cc2[O-])on1 ZINC000078128981 345592662 /nfs/dbraw/zinc/59/26/62/345592662.db2.gz OUTOYUVNUSDSDR-UHFFFAOYSA-N -1 1 296.326 3.026 20 0 CGADMM Cc1nc(C)c(CN(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000088868480 345765990 /nfs/dbraw/zinc/76/59/90/345765990.db2.gz QOEMHBOLDFLDGQ-UHFFFAOYSA-N -1 1 290.388 3.090 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@H]2CCCC[C@@H]2C1 ZINC000176092551 232330866 /nfs/dbraw/zinc/33/08/66/232330866.db2.gz FKFAAOJLTBNXOV-GHMZBOCLSA-N -1 1 279.767 3.308 20 0 CGADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000176676791 232343376 /nfs/dbraw/zinc/34/33/76/232343376.db2.gz ZTOQONQYQGJSCX-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(F)c2C)c1 ZINC000176715325 232344197 /nfs/dbraw/zinc/34/41/97/232344197.db2.gz GBBCDISSYKKREA-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1)c1ccccc1F ZINC000211392417 346286083 /nfs/dbraw/zinc/28/60/83/346286083.db2.gz SXOJAZVXDQDXLX-AWEZNQCLSA-N -1 1 293.725 3.395 20 0 CGADMM [O-]c1cccc(CN[C@H](CO)c2ccc(F)cc2)c1Cl ZINC000339263362 215048205 /nfs/dbraw/zinc/04/82/05/215048205.db2.gz HOUVLLQVFUEWAZ-CYBMUJFWSA-N -1 1 295.741 3.008 20 0 CGADMM C[C@H](SCc1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000594910436 347227490 /nfs/dbraw/zinc/22/74/90/347227490.db2.gz IJSOHBCPOCAGBL-ZETCQYMHSA-N -1 1 288.298 3.213 20 0 CGADMM CC(C)CN(C(=O)c1cc(F)ccc1[O-])C(C)C ZINC000128638719 187381895 /nfs/dbraw/zinc/38/18/95/187381895.db2.gz NPWBNRXQJQJGDO-UHFFFAOYSA-N -1 1 253.317 3.038 20 0 CGADMM CCCN(CC)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000273939701 192371732 /nfs/dbraw/zinc/37/17/32/192371732.db2.gz JVFNIABLMIIPGP-UHFFFAOYSA-N -1 1 285.771 3.316 20 0 CGADMM Cc1cccc(O[C@@H](C)C(=O)Nc2c([O-])cccc2F)c1 ZINC000605439440 348155761 /nfs/dbraw/zinc/15/57/61/348155761.db2.gz WSHQJQZEKNYCLL-NSHDSACASA-N -1 1 289.306 3.246 20 0 CGADMM Cc1cc2ccccc2n1CC(=O)Nc1c([O-])cccc1F ZINC000605439392 348155846 /nfs/dbraw/zinc/15/58/46/348155846.db2.gz WEBYPGKQSUQXDQ-UHFFFAOYSA-N -1 1 298.317 3.433 20 0 CGADMM COc1cccc([C@H](C)C(=O)Nc2c([O-])cccc2F)c1 ZINC000608366083 348301348 /nfs/dbraw/zinc/30/13/48/348301348.db2.gz NBSIMOSLRLZIGP-JTQLQIEISA-N -1 1 289.306 3.282 20 0 CGADMM CCc1onc(C)c1NC(=O)c1cc(SC)ccc1[O-] ZINC000613074639 348563614 /nfs/dbraw/zinc/56/36/14/348563614.db2.gz MOPXKUIZQRCWTD-UHFFFAOYSA-N -1 1 292.360 3.225 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC000615221762 348724557 /nfs/dbraw/zinc/72/45/57/348724557.db2.gz OAIXBLQSTGZWDB-ZYHUDNBSSA-N -1 1 299.374 3.352 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC(C2CCC2)CC1 ZINC000617771506 349005657 /nfs/dbraw/zinc/00/56/57/349005657.db2.gz UYNQBIAQROKIRI-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM C[C@@]1(CCNC(=O)c2ccc(Cl)cc2[O-])CC1(F)F ZINC000618625013 349128623 /nfs/dbraw/zinc/12/86/23/349128623.db2.gz CNJGEHYHBROARB-GFCCVEGCSA-N -1 1 289.709 3.211 20 0 CGADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)cc1[O-] ZINC000620434425 349371902 /nfs/dbraw/zinc/37/19/02/349371902.db2.gz USCNGUIEBQERSX-CLYYMRHHSA-N -1 1 279.767 3.449 20 0 CGADMM Cc1n[nH]c(C)c1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000271307799 191064517 /nfs/dbraw/zinc/06/45/17/191064517.db2.gz VYNGDVJZZYKIFJ-UHFFFAOYSA-N -1 1 273.336 3.108 20 0 CGADMM CCc1c(C)[n-]n(Cc2cccc(Br)c2)c1=O ZINC000109363153 186250505 /nfs/dbraw/zinc/25/05/05/186250505.db2.gz RPTIMAXIHNJLOK-LBPRGKRZSA-N -1 1 295.180 3.193 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ccncc2C)n1 ZINC000629088684 350649190 /nfs/dbraw/zinc/64/91/90/350649190.db2.gz BAMOXZUADYWIGP-UHFFFAOYSA-N -1 1 275.377 3.130 20 0 CGADMM CC(=O)[C@H](C)CCCCC(=O)Nc1cccc(F)c1[O-] ZINC000628960203 350626416 /nfs/dbraw/zinc/62/64/16/350626416.db2.gz APMFGOGJSFDHML-SNVBAGLBSA-N -1 1 281.327 3.255 20 0 CGADMM CCc1nc(SCc2ccncc2C)[n-]c(=O)c1C ZINC000629184778 350665432 /nfs/dbraw/zinc/66/54/32/350665432.db2.gz SSSWWRHFZBEHJM-UHFFFAOYSA-N -1 1 275.377 3.049 20 0 CGADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)C1CCCCCC1 ZINC000629379426 350685310 /nfs/dbraw/zinc/68/53/10/350685310.db2.gz XYFISLSSCDBSKR-UHFFFAOYSA-N -1 1 299.374 3.487 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCCC2(CC2)CC1 ZINC000629653928 350731552 /nfs/dbraw/zinc/73/15/52/350731552.db2.gz NBTLCKDRHLUXCY-UHFFFAOYSA-N -1 1 279.767 3.452 20 0 CGADMM Cc1scc(CNCc2ccc(C(=O)[O-])c(C)n2)c1C ZINC000630450647 350841744 /nfs/dbraw/zinc/84/17/44/350841744.db2.gz FAKWQZTVCDQNFL-UHFFFAOYSA-N -1 1 290.388 3.056 20 0 CGADMM Cc1nc(S[C@H]2CCOC(C)(C)C2)[n-]c(=O)c1C1CC1 ZINC000631023000 350926872 /nfs/dbraw/zinc/92/68/72/350926872.db2.gz FETFRTYWUCYUJQ-NSHDSACASA-N -1 1 294.420 3.418 20 0 CGADMM Cc1nc(S[C@H]2CCCCCC2=O)[n-]c(=O)c1C1CC1 ZINC000631024796 350927512 /nfs/dbraw/zinc/92/75/12/350927512.db2.gz DMLQNIFXPMTVIQ-LBPRGKRZSA-N -1 1 292.404 3.362 20 0 CGADMM CC1=C[C@H](C)CN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000632847647 351223551 /nfs/dbraw/zinc/22/35/51/351223551.db2.gz GYRFZWPIHAQUCG-JTQLQIEISA-N -1 1 279.767 3.013 20 0 CGADMM CC(C)C[C@@H]1C[C@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633406548 351296905 /nfs/dbraw/zinc/29/69/05/351296905.db2.gz FPRJXRIGAHBZGZ-DGCLKSJQSA-N -1 1 281.783 3.139 20 0 CGADMM CC(C)[C@@]1(C)C[C@@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633412050 351298459 /nfs/dbraw/zinc/29/84/59/351298459.db2.gz GESUULGOWXDEAQ-DZGCQCFKSA-N -1 1 281.783 3.139 20 0 CGADMM CN(C[C@H]1CC1(C)C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633658813 351341279 /nfs/dbraw/zinc/34/12/79/351341279.db2.gz SOSWMYVHNUUGJF-LLVKDONJSA-N -1 1 281.783 3.093 20 0 CGADMM CC(C)[C@@H]1CCc2[n-]n(C[C@@H]3CCSC3)c(=O)c2C1 ZINC000634629340 351551653 /nfs/dbraw/zinc/55/16/53/351551653.db2.gz RXJUIDZWBPWIKM-YNEHKIRRSA-N -1 1 280.437 3.010 20 0 CGADMM CN(C)c1ccccc1Cn1[n-]c2c(c1=O)CCCCC2 ZINC000634596180 351532053 /nfs/dbraw/zinc/53/20/53/351532053.db2.gz YGXXXLBGRMYUOT-AWEZNQCLSA-N -1 1 285.391 3.031 20 0 CGADMM CCc1cc(=O)n(-c2ccc(OCC(F)(F)F)cc2)[n-]1 ZINC000634602982 351537723 /nfs/dbraw/zinc/53/77/23/351537723.db2.gz LHYYDXOAQWMUHJ-UHFFFAOYSA-N -1 1 286.253 3.130 20 0 CGADMM C[C@H]1CCc2[n-]n(CCCOc3ccccc3)c(=O)c2C1 ZINC000634603127 351537773 /nfs/dbraw/zinc/53/77/73/351537773.db2.gz PMODXHDWTSWSHC-DZGCQCFKSA-N -1 1 286.375 3.090 20 0 CGADMM CCCc1[n-]n(CC(F)(F)C(F)(F)F)c(=O)c1CC ZINC000634604476 351538736 /nfs/dbraw/zinc/53/87/36/351538736.db2.gz HQCSUJCEXUDPFS-ZETCQYMHSA-N -1 1 286.244 3.209 20 0 CGADMM CCc1c(C)[n-]n(-c2cc(F)cc(Cl)c2)c1=O ZINC000634607411 351539918 /nfs/dbraw/zinc/53/99/18/351539918.db2.gz WSAKJDNZIRQFEH-NSHDSACASA-N -1 1 254.692 3.228 20 0 CGADMM Cc1[n-]n(-c2c(C)cccc2Cl)c(=O)c1C1CC1 ZINC000634608491 351541275 /nfs/dbraw/zinc/54/12/75/351541275.db2.gz DZPIVOAJNZAFKK-LBPRGKRZSA-N -1 1 262.740 3.397 20 0 CGADMM Cc1cccc(Cl)c1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634609044 351541284 /nfs/dbraw/zinc/54/12/84/351541284.db2.gz VAEOBVNPNFVFGG-PELKAZGASA-N -1 1 262.740 3.397 20 0 CGADMM O=c1c2c([n-]n1Cc1cnc3ccccc3c1)CCCC2 ZINC000634617988 351545755 /nfs/dbraw/zinc/54/57/55/351545755.db2.gz CUASZPLRXUQFEH-CQSZACIVSA-N -1 1 279.343 3.123 20 0 CGADMM CCc1c(=O)n(-c2ccnc(C)c2)[n-]c1-c1cccc(C)c1 ZINC000634619173 351547297 /nfs/dbraw/zinc/54/72/97/351547297.db2.gz RCKZJUQRQUVFDH-MRXNPFEDSA-N -1 1 293.370 3.476 20 0 CGADMM CCCc1[n-]n([C@H](C)c2ccncc2)c(=O)c1CC ZINC000634626504 351550476 /nfs/dbraw/zinc/55/04/76/351550476.db2.gz GHRJCWVAGJPHRG-YPMHNXCESA-N -1 1 259.353 3.167 20 0 CGADMM O=C([O-])CN1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000635019825 351632780 /nfs/dbraw/zinc/63/27/80/351632780.db2.gz YXCXSXNZVNKETF-NSHDSACASA-N -1 1 291.244 3.066 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1OC2CCC1CC2 ZINC000636408207 351753002 /nfs/dbraw/zinc/75/30/02/351753002.db2.gz NEUQOXJIHGVEHC-UHFFFAOYSA-N -1 1 283.327 3.244 20 0 CGADMM CCOC(=O)CCCCCSc1nc(C)c(C)c(=O)[n-]1 ZINC000537413686 288528854 /nfs/dbraw/zinc/52/88/54/288528854.db2.gz UOJHQUSKAQYZNM-UHFFFAOYSA-N -1 1 298.408 3.015 20 0 CGADMM C[C@@H]1CC(C)(C)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000412785016 235214446 /nfs/dbraw/zinc/21/44/46/235214446.db2.gz RJVJMMBEEBVSGN-SECBINFHSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(Nc1ccncc1[O-])c1cc2cc(Cl)ccc2o1 ZINC000109889162 138362298 /nfs/dbraw/zinc/36/22/98/138362298.db2.gz AQIPSKOUKPXLAN-UHFFFAOYSA-N -1 1 288.690 3.439 20 0 CGADMM O=C([O-])C[C@H](NCc1cc(F)cc(F)c1)c1ccsc1 ZINC000426688978 236306513 /nfs/dbraw/zinc/30/65/13/236306513.db2.gz SWEFZYMLTCYCCI-ZDUSSCGKSA-N -1 1 297.326 3.332 20 0 CGADMM Cc1cccc([C@@H](C)CNC(=O)c2c([O-])cccc2F)c1 ZINC000436507642 237118620 /nfs/dbraw/zinc/11/86/20/237118620.db2.gz APYMFWKIQLRAEP-LBPRGKRZSA-N -1 1 287.334 3.373 20 0 CGADMM Cc1ccc(Cl)cc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436660017 237152507 /nfs/dbraw/zinc/15/25/07/237152507.db2.gz SZYWZTJRKHYILF-UHFFFAOYSA-N -1 1 289.718 3.175 20 0 CGADMM CO[C@@H]1CCCC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436589405 237137118 /nfs/dbraw/zinc/13/71/18/237137118.db2.gz KNGHHVDICUUVCJ-HZPDHXFCSA-N -1 1 299.370 3.233 20 0 CGADMM O=C(Nc1ncc(-c2cccnc2)s1)c1ccccc1[O-] ZINC000436841614 237193964 /nfs/dbraw/zinc/19/39/64/237193964.db2.gz VVDKSSIYSVLXCN-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM C[C@H]1CCC[C@H](C)C1NC(=O)c1c([O-])cccc1F ZINC000437001846 237230216 /nfs/dbraw/zinc/23/02/16/237230216.db2.gz PHRSRZJVAYJRNP-UWVGGRQHSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1cccnc1/C=C/c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445479679 238708900 /nfs/dbraw/zinc/70/89/00/238708900.db2.gz KFNTZTUOYLRYKU-FNORWQNLSA-N -1 1 297.289 3.455 20 0 CGADMM CCc1ccccc1NC(=O)c1ccc(OC)cc1[O-] ZINC000019839995 368771106 /nfs/dbraw/zinc/77/11/06/368771106.db2.gz VYCDQLZJPNRDMY-UHFFFAOYSA-N -1 1 271.316 3.216 20 0 CGADMM O=C(NCCC1CCCC1)c1ccc(Cl)cc1[O-] ZINC000037492404 369086083 /nfs/dbraw/zinc/08/60/83/369086083.db2.gz AHJYOYISSLBLBY-UHFFFAOYSA-N -1 1 267.756 3.356 20 0 CGADMM Cn1ccc(/C=C/C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000493148656 244106912 /nfs/dbraw/zinc/10/69/12/244106912.db2.gz HSLWLUGZGFETAW-GORDUTHDSA-N -1 1 276.723 3.036 20 0 CGADMM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ncccc1[O-] ZINC000127700019 370956230 /nfs/dbraw/zinc/95/62/30/370956230.db2.gz ZEIGINKXPKUCDQ-HNNXBMFYSA-N -1 1 298.386 3.189 20 0 CGADMM CC(C)n1c(CNC(=O)CC2=CCCCC2)n[n-]c1=S ZINC000066639256 369698597 /nfs/dbraw/zinc/69/85/97/369698597.db2.gz POBGUIJSONEQCI-UHFFFAOYSA-N -1 1 294.424 3.028 20 0 CGADMM C[C@H]1CC[C@H](C)N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000072897121 369842986 /nfs/dbraw/zinc/84/29/86/369842986.db2.gz KCMIXBSQKZJUBK-UWVGGRQHSA-N -1 1 277.393 3.017 20 0 CGADMM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cncc([O-])c1 ZINC000109041409 370360213 /nfs/dbraw/zinc/36/02/13/370360213.db2.gz NEYHZUMAVFWLIM-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM Cc1ccc([C@@H]2CCCN2C(=O)c2cncc([O-])c2)s1 ZINC000114800980 370513267 /nfs/dbraw/zinc/51/32/67/370513267.db2.gz HOVQHUIJMQLKCW-ZDUSSCGKSA-N -1 1 288.372 3.134 20 0 CGADMM COc1cc(C(=O)Nc2cncc(C)c2)cc(Cl)c1[O-] ZINC000135166535 371396670 /nfs/dbraw/zinc/39/66/70/371396670.db2.gz VQODKIQHICDMHM-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM CCC1(NC(=O)c2cc(Cl)c([O-])c(OC)c2)CCC1 ZINC000135162350 371397352 /nfs/dbraw/zinc/39/73/52/371397352.db2.gz PRNPRPCZKZNGSC-UHFFFAOYSA-N -1 1 283.755 3.117 20 0 CGADMM CC(C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000134964607 371380226 /nfs/dbraw/zinc/38/02/26/371380226.db2.gz DYLOCIGVBFRMQF-JTQLQIEISA-N -1 1 267.756 3.164 20 0 CGADMM O=C(N[C@H]1CCCSC1)c1ccc2ccccc2c1[O-] ZINC000135646544 371441219 /nfs/dbraw/zinc/44/12/19/371441219.db2.gz YECNOLQPYPASMX-LBPRGKRZSA-N -1 1 287.384 3.171 20 0 CGADMM O=C(NCc1ccccc1Cl)c1cc(F)ccc1[O-] ZINC000149008959 371526425 /nfs/dbraw/zinc/52/64/25/371526425.db2.gz DHGGNFJNXUEKEW-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM CCOc1cc(C(=O)NC[C@H](C)CC)cc(Cl)c1[O-] ZINC000421907026 371706686 /nfs/dbraw/zinc/70/66/86/371706686.db2.gz CGWBDIACOSFLLQ-SECBINFHSA-N -1 1 285.771 3.220 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c(C)c1 ZINC000028781201 541857542 /nfs/dbraw/zinc/85/75/42/541857542.db2.gz ILFYASZJFLPGTI-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC[C@H](C)C[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000289652784 371783236 /nfs/dbraw/zinc/78/32/36/371783236.db2.gz MTXNOBHKYAOYSS-IUCAKERBSA-N -1 1 271.307 3.225 20 0 CGADMM C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)c1ccc([O-])cc1 ZINC000154263238 371832325 /nfs/dbraw/zinc/83/23/25/371832325.db2.gz XCNNATKJKGDRDF-VIFPVBQESA-N -1 1 298.310 3.205 20 0 CGADMM CO[C@H](C)c1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000154855218 371885034 /nfs/dbraw/zinc/88/50/34/371885034.db2.gz CHQOJGIDLDXDRI-SNVBAGLBSA-N -1 1 289.306 3.491 20 0 CGADMM CCN(Cc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC000154773054 371876627 /nfs/dbraw/zinc/87/66/27/371876627.db2.gz JSZYVRIEYHUIAM-UHFFFAOYSA-N -1 1 273.307 3.194 20 0 CGADMM CC(C)c1cnc(NC(=O)c2ccc([O-])cc2F)s1 ZINC000154933682 371890385 /nfs/dbraw/zinc/89/03/85/371890385.db2.gz WSVQPARUZRNKFS-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM CO[C@@H]1CCC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000290510785 372005865 /nfs/dbraw/zinc/00/58/65/372005865.db2.gz TXINCLXWTDPDFM-CYBMUJFWSA-N -1 1 289.297 3.022 20 0 CGADMM Cn1cc(NCc2cccc([O-])c2Cl)c(C2CC2)n1 ZINC000293054829 372289541 /nfs/dbraw/zinc/28/95/41/372289541.db2.gz UHGFSZFOMBURHH-UHFFFAOYSA-N -1 1 277.755 3.269 20 0 CGADMM CCCc1nc(C)c(C(=O)Nc2ccc(F)cc2[O-])o1 ZINC000293260479 372339108 /nfs/dbraw/zinc/33/91/08/372339108.db2.gz BQEYHBOPORSKSK-UHFFFAOYSA-N -1 1 278.283 3.033 20 0 CGADMM CCc1cnc(CNCc2cccc([O-])c2Cl)s1 ZINC000293633888 372430761 /nfs/dbraw/zinc/43/07/61/372430761.db2.gz RGPAIZFUKSULRF-UHFFFAOYSA-N -1 1 282.796 3.354 20 0 CGADMM C[C@@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)[C@@H]1C ZINC000293959353 372537948 /nfs/dbraw/zinc/53/79/48/372537948.db2.gz GAXFFXSANUNEJI-RKDXNWHRSA-N -1 1 290.750 3.074 20 0 CGADMM [O-]c1cccc(CN2CCOCC23CCCC3)c1Cl ZINC000294151032 372594798 /nfs/dbraw/zinc/59/47/98/372594798.db2.gz HYXSDEPRAXKHMS-UHFFFAOYSA-N -1 1 281.783 3.191 20 0 CGADMM COCC(C)(C)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000294190538 372607310 /nfs/dbraw/zinc/60/73/10/372607310.db2.gz SKHOWAJXTBKQHL-UHFFFAOYSA-N -1 1 287.359 3.042 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000433807769 372635231 /nfs/dbraw/zinc/63/52/31/372635231.db2.gz KQICVHIPIWSSIU-UHFFFAOYSA-N -1 1 275.373 3.358 20 0 CGADMM C[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436749435 372841246 /nfs/dbraw/zinc/84/12/46/372841246.db2.gz AXPHTWBGLYPDGO-BDAKNGLRSA-N -1 1 287.281 3.282 20 0 CGADMM O=C(Nc1ccc2ccoc2c1)c1csc(=NC2CC2)[n-]1 ZINC000442924091 373128052 /nfs/dbraw/zinc/12/80/52/373128052.db2.gz JWFMAKAKMRVRSE-UHFFFAOYSA-N -1 1 299.355 3.138 20 0 CGADMM CCC(CC)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301170722 373681576 /nfs/dbraw/zinc/68/15/76/373681576.db2.gz JPGOBOMXQIVHTE-UHFFFAOYSA-N -1 1 286.379 3.462 20 0 CGADMM Cc1csc([C@H](C)[N-]c2nc(C(C)C)no2)n1 ZINC000301349550 373754163 /nfs/dbraw/zinc/75/41/63/373754163.db2.gz VFTZLUZDSKFYMT-QMMMGPOBSA-N -1 1 252.343 3.131 20 0 CGADMM Oc1ccc(F)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1F ZINC000449506528 373807214 /nfs/dbraw/zinc/80/72/14/373807214.db2.gz ZBWUJHKZHHQHSZ-PHIMTYICSA-N -1 1 267.319 3.292 20 0 CGADMM O=C(Nc1ccc(OC(F)F)cc1)c1ccc([O-])cc1F ZINC000181049760 374074109 /nfs/dbraw/zinc/07/41/09/374074109.db2.gz NNUPJEYWQZFMQG-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCC(F)(F)C1 ZINC000305895167 374124347 /nfs/dbraw/zinc/12/43/47/374124347.db2.gz DNVOUBFBXGQHOM-ZETCQYMHSA-N -1 1 275.682 3.420 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccs1 ZINC000181164507 374088865 /nfs/dbraw/zinc/08/88/65/374088865.db2.gz UPLVTTQAJCDSJA-GFCCVEGCSA-N -1 1 279.336 3.474 20 0 CGADMM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000181234928 374096765 /nfs/dbraw/zinc/09/67/65/374096765.db2.gz UYEYBVDSHTVQJB-QWRGUYRKSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1ccncc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182032748 374207427 /nfs/dbraw/zinc/20/74/27/374207427.db2.gz WHTRZVINFMJNKG-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM CC(C)(C)C(C)(C)CNC(=O)c1ccc([O-])cc1F ZINC000311967968 374264019 /nfs/dbraw/zinc/26/40/19/374264019.db2.gz AMKHBTZHMAXUEY-UHFFFAOYSA-N -1 1 267.344 3.333 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2F)c(C)o1 ZINC000182769516 374324964 /nfs/dbraw/zinc/32/49/64/374324964.db2.gz NWCGXIKGBXWZFQ-UHFFFAOYSA-N -1 1 283.324 3.145 20 0 CGADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ccc2c(c1)CCCC2 ZINC000316354768 374333827 /nfs/dbraw/zinc/33/38/27/374333827.db2.gz RTAIPMICRCGFHL-LBPRGKRZSA-N -1 1 296.370 3.157 20 0 CGADMM Cc1noc(C)c1[N-]C(=O)c1cc(F)c(Cl)cc1F ZINC000334211041 206197047 /nfs/dbraw/zinc/19/70/47/206197047.db2.gz GMMLXPGENHGQQN-UHFFFAOYSA-N -1 1 286.665 3.475 20 0 CGADMM CCC[C@H]1C[C@H](C(=O)Nc2ccc([O-])c(F)c2F)CCO1 ZINC000456777716 374620386 /nfs/dbraw/zinc/62/03/86/374620386.db2.gz GLPRPAKOPOYLRI-ZJUUUORDSA-N -1 1 299.317 3.204 20 0 CGADMM CCO[C@@H](CC(=O)Nc1ccc([O-])c(F)c1F)C(C)C ZINC000456786176 374623524 /nfs/dbraw/zinc/62/35/24/374623524.db2.gz NYPKXPXYDIQUNH-NSHDSACASA-N -1 1 287.306 3.060 20 0 CGADMM CCSCc1cc(C(=O)[N-]c2c(C)onc2CC)no1 ZINC000186645861 374893072 /nfs/dbraw/zinc/89/30/72/374893072.db2.gz GQFHLDGUGRACTI-UHFFFAOYSA-N -1 1 295.364 3.039 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2cccc(Cl)n2)[n-]1 ZINC000188128984 375162985 /nfs/dbraw/zinc/16/29/85/375162985.db2.gz NUBDXSUIIJDXSF-UHFFFAOYSA-N -1 1 293.779 3.400 20 0 CGADMM [O-]c1cccc(C[NH2+][C@@H]2CC[C@H](F)C2)c1Br ZINC000335168194 375194552 /nfs/dbraw/zinc/19/45/52/375194552.db2.gz HJBIJCNFJQEKPV-VHSXEESVSA-N -1 1 288.160 3.135 20 0 CGADMM C[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335213556 375233025 /nfs/dbraw/zinc/23/30/25/375233025.db2.gz CYUCODWTQGOIPE-YUMQZZPRSA-N -1 1 255.264 3.045 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335213552 375233231 /nfs/dbraw/zinc/23/32/31/375233231.db2.gz CYUCODWTQGOIPE-JGVFFNPUSA-N -1 1 255.264 3.045 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(Cl)cc2F)C[C@H]1C(=O)[O-] ZINC000335426153 375285223 /nfs/dbraw/zinc/28/52/23/375285223.db2.gz ZFTFWZPRRSKTJO-BXKDBHETSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@@H]1CCN(Cc2cc(F)cc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000335444004 375298293 /nfs/dbraw/zinc/29/82/93/375298293.db2.gz OUKSENAJNUHRHR-NOZJJQNGSA-N -1 1 285.746 3.022 20 0 CGADMM CC1(C)CN(C(=O)c2cncc([O-])c2)[C@@H]1c1cccs1 ZINC000335796766 375437991 /nfs/dbraw/zinc/43/79/91/375437991.db2.gz KEMYBZLOLYXFCW-CYBMUJFWSA-N -1 1 288.372 3.072 20 0 CGADMM C[C@@H]1[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1(F)F ZINC000336157068 375734145 /nfs/dbraw/zinc/73/41/45/375734145.db2.gz ZXFMGPPSKMPORX-ANLVUFKYSA-N -1 1 286.665 3.464 20 0 CGADMM Cc1ccncc1CN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000336158085 375735860 /nfs/dbraw/zinc/73/58/60/375735860.db2.gz KNHDTTVHQTZODR-UHFFFAOYSA-N -1 1 290.750 3.021 20 0 CGADMM CS[C@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000336179500 375751532 /nfs/dbraw/zinc/75/15/32/375751532.db2.gz ILMAIXRPSXLZNC-ZCFIWIBFSA-N -1 1 254.286 3.005 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC000193158023 375835359 /nfs/dbraw/zinc/83/53/59/375835359.db2.gz NYPJZGYFTNXZAV-NSHDSACASA-N -1 1 283.327 3.252 20 0 CGADMM CCCCC(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000534554891 375993420 /nfs/dbraw/zinc/99/34/20/375993420.db2.gz XRIXKAOSEXDQCS-UHFFFAOYSA-N -1 1 283.784 3.342 20 0 CGADMM CC(=O)[C@@H](C)CCCCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000194583519 376021902 /nfs/dbraw/zinc/02/19/02/376021902.db2.gz VRCYCPTUMMBZSV-VIFPVBQESA-N -1 1 298.770 3.165 20 0 CGADMM CC(C)c1nc(=NC[C@]2(C)C[C@@H]2c2ccccc2)o[n-]1 ZINC000338739798 376509640 /nfs/dbraw/zinc/50/96/40/376509640.db2.gz LIXIMVZMBGOEJA-CJNGLKHVSA-N -1 1 271.364 3.221 20 0 CGADMM CC[C@@H]1CCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000231329430 376556455 /nfs/dbraw/zinc/55/64/55/376556455.db2.gz WHNVTAUPBHBWGA-SNVBAGLBSA-N -1 1 298.180 3.169 20 0 CGADMM O=C([O-])[C@@H](NCc1cc(F)c(F)cc1F)c1ccccc1 ZINC000236451873 376663769 /nfs/dbraw/zinc/66/37/69/376663769.db2.gz XZXIOXUOWZFWIP-AWEZNQCLSA-N -1 1 295.260 3.019 20 0 CGADMM Cc1noc(C2CC2)c1[N-]C(=O)c1sccc1F ZINC000556720081 376871992 /nfs/dbraw/zinc/87/19/92/376871992.db2.gz DKWHITFBWUBNTP-UHFFFAOYSA-N -1 1 266.297 3.313 20 0 CGADMM C[C@H](CCC1CCCCC1)NC(=O)c1cncc([O-])c1 ZINC000339951051 376877065 /nfs/dbraw/zinc/87/70/65/376877065.db2.gz ITLUADKJCXYOST-GFCCVEGCSA-N -1 1 276.380 3.266 20 0 CGADMM CCc1ccc(NC(=O)c2cncc([O-])c2)cc1CC ZINC000340006398 376892397 /nfs/dbraw/zinc/89/23/97/376892397.db2.gz SSFCNBAJKUWADK-UHFFFAOYSA-N -1 1 270.332 3.164 20 0 CGADMM Cc1ccc(OCC(=O)Nc2ccc(F)cc2[O-])cc1C ZINC000340326464 377002874 /nfs/dbraw/zinc/00/28/74/377002874.db2.gz DXWRAQGUUIDBCN-UHFFFAOYSA-N -1 1 289.306 3.166 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(OC(F)F)cc1 ZINC000340327705 377003076 /nfs/dbraw/zinc/00/30/76/377003076.db2.gz KOBPMZQQJLPUDH-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340329896 377004531 /nfs/dbraw/zinc/00/45/31/377004531.db2.gz NFUXZRYEYQQWLQ-LLVKDONJSA-N -1 1 289.306 3.075 20 0 CGADMM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340329376 377005894 /nfs/dbraw/zinc/00/58/94/377005894.db2.gz BPCLZALWXRXRAD-NSHDSACASA-N -1 1 289.306 3.246 20 0 CGADMM O=C(COc1ccccc1Cl)Nc1ccc(F)cc1[O-] ZINC000340330375 377007408 /nfs/dbraw/zinc/00/74/08/377007408.db2.gz YLZYDIYIGUWCEQ-UHFFFAOYSA-N -1 1 295.697 3.202 20 0 CGADMM C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000562212081 377283854 /nfs/dbraw/zinc/28/38/54/377283854.db2.gz QUYJRVFOWFQLJY-DTORHVGOSA-N -1 1 259.271 3.394 20 0 CGADMM C[C@H](c1ccccc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000093908180 249038888 /nfs/dbraw/zinc/03/88/88/249038888.db2.gz OXGUPQLKTIQCJI-LLVKDONJSA-N -1 1 273.307 3.365 20 0 CGADMM C[C@H]1c2ccccc2CCN1C(=O)c1cc(F)ccc1[O-] ZINC000094123277 249039335 /nfs/dbraw/zinc/03/93/35/249039335.db2.gz MUIKRLQGWKNPOB-NSHDSACASA-N -1 1 285.318 3.291 20 0 CGADMM CC(C)CN(C(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000315003088 249098566 /nfs/dbraw/zinc/09/85/66/249098566.db2.gz VCICWRCLTLFTKH-UHFFFAOYSA-N -1 1 285.343 3.401 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C/c3cscn3)n2)cc1F ZINC000515763654 249220290 /nfs/dbraw/zinc/22/02/90/249220290.db2.gz HEYHNSVEJKJLCQ-DUXPYHPUSA-N -1 1 289.291 3.208 20 0 CGADMM Cc1ccc(C)c(CN(C)Cc2occc2C(=O)[O-])c1 ZINC000518990846 249290665 /nfs/dbraw/zinc/29/06/65/249290665.db2.gz TVIFACGAQZLCPA-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM CCOc1cc(C(=O)N(C)[C@@H](C)C2CC2)cc(Cl)c1[O-] ZINC000574145953 377625722 /nfs/dbraw/zinc/62/57/22/377625722.db2.gz NHZCGWKJEKGOEQ-VIFPVBQESA-N -1 1 297.782 3.315 20 0 CGADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1cc(Cl)ccc1F ZINC000263066172 377916922 /nfs/dbraw/zinc/91/69/22/377916922.db2.gz OAVJTUUQXCPGGQ-BXKDBHETSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Cl)cc2F)C1 ZINC000263329021 377927901 /nfs/dbraw/zinc/92/79/01/377927901.db2.gz LDOATIFDWMFEOL-MWLCHTKSSA-N -1 1 285.746 3.022 20 0 CGADMM Cc1ccc2c(c1C)OC[C@H]2NCc1ccc(C(=O)[O-])cc1 ZINC000263508418 377943249 /nfs/dbraw/zinc/94/32/49/377943249.db2.gz XWPDIWCFIYSLOR-MRXNPFEDSA-N -1 1 297.354 3.225 20 0 CGADMM CC[C@H](CC(=O)Nc1nc(SC)n[nH]1)c1ccccc1 ZINC000264168202 377959879 /nfs/dbraw/zinc/95/98/79/377959879.db2.gz VBXKVPLGLVXCAX-SNVBAGLBSA-N -1 1 290.392 3.049 20 0 CGADMM C[C@@H]1CO[C@H](c2ccccc2)CN1CCCCCC(=O)[O-] ZINC000582186499 378290813 /nfs/dbraw/zinc/29/08/13/378290813.db2.gz DSGOSJJMHWEFDI-ZBFHGGJFSA-N -1 1 291.391 3.093 20 0 CGADMM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2[O-])CCO1 ZINC000272636638 378681323 /nfs/dbraw/zinc/68/13/23/378681323.db2.gz CPIMPWUMEPHHLW-CMPLNLGQSA-N -1 1 281.327 3.065 20 0 CGADMM O=C(NC/C=C\c1ccccc1)c1c(F)ccc([O-])c1F ZINC000348528866 378978590 /nfs/dbraw/zinc/97/85/90/378978590.db2.gz CKDFULOEBOOVJV-DAXSKMNVSA-N -1 1 289.281 3.114 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3Cc4ccccc4O3)n2)cc1F ZINC000373170495 379235566 /nfs/dbraw/zinc/23/55/66/379235566.db2.gz ORKITJYYZJPEBS-CQSZACIVSA-N -1 1 298.273 3.258 20 0 CGADMM CCc1ocnc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000349490042 379292898 /nfs/dbraw/zinc/29/28/98/379292898.db2.gz FUALOMCVOCEURJ-UHFFFAOYSA-N -1 1 297.314 3.453 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CC3(Cl)Cl)n2)cc1F ZINC000278306847 379340988 /nfs/dbraw/zinc/34/09/88/379340988.db2.gz XYKSAFSIVKEMLJ-ZCFIWIBFSA-N -1 1 289.093 3.243 20 0 CGADMM CCCSCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278128767 379297587 /nfs/dbraw/zinc/29/75/87/379297587.db2.gz KCTDOTDQAFGRQX-UHFFFAOYSA-N -1 1 268.313 3.225 20 0 CGADMM CCC(F)(F)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000639522634 379449863 /nfs/dbraw/zinc/44/98/63/379449863.db2.gz QRDZGSIRWXOCCE-UHFFFAOYSA-N -1 1 297.345 3.332 20 0 CGADMM C[C@H]1CCCN(C(=O)c2cncc([O-])c2)c2ccccc21 ZINC000279488513 379444805 /nfs/dbraw/zinc/44/48/05/379444805.db2.gz PAXUXNZPJYZMTJ-LBPRGKRZSA-N -1 1 282.343 3.331 20 0 CGADMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccoc2)c(F)c1 ZINC000349991701 379474130 /nfs/dbraw/zinc/47/41/30/379474130.db2.gz QMXXDXIKSJMZCZ-UHFFFAOYSA-N -1 1 299.323 3.007 20 0 CGADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H]1CCCCO1 ZINC000379277156 379860265 /nfs/dbraw/zinc/86/02/65/379860265.db2.gz AQHKQPROQUSYGW-YVEFUNNKSA-N -1 1 299.370 3.233 20 0 CGADMM Cc1cc(C)cc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000354358351 380412892 /nfs/dbraw/zinc/41/28/92/380412892.db2.gz SGQVOULJVIYRQX-MRXNPFEDSA-N -1 1 287.334 3.358 20 0 CGADMM O=C([O-])[C@@H]1C=C[C@H](NCc2cc(Cl)sc2Cl)C1 ZINC000417616932 380653968 /nfs/dbraw/zinc/65/39/68/380653968.db2.gz HTCYSVNWSVIEEL-SVRRBLITSA-N -1 1 292.187 3.174 20 0 CGADMM Cc1ccc(NC(=O)c2cncc([O-])c2)cc1OC(C)C ZINC000355566764 380712490 /nfs/dbraw/zinc/71/24/90/380712490.db2.gz MGZXKJUZPVBWKH-UHFFFAOYSA-N -1 1 286.331 3.135 20 0 CGADMM O=C(NC1(C(F)(F)F)CC1)c1ccc2ccccc2c1[O-] ZINC000229113565 542300345 /nfs/dbraw/zinc/30/03/45/542300345.db2.gz KFMHPQKEAOWPBY-UHFFFAOYSA-N -1 1 295.260 3.370 20 0 CGADMM CSc1ccc(CNC(=O)c2c([O-])cccc2F)cc1 ZINC000436948379 532956793 /nfs/dbraw/zinc/95/67/93/532956793.db2.gz WLNCWUOZPJWSAQ-UHFFFAOYSA-N -1 1 291.347 3.183 20 0 CGADMM CC1CCC(OCC(=O)Nc2ccc(F)cc2[O-])CC1 ZINC000281051430 195084517 /nfs/dbraw/zinc/08/45/17/195084517.db2.gz BPMDGMBVCPKXHN-UHFFFAOYSA-N -1 1 281.327 3.065 20 0 CGADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000281082037 195096475 /nfs/dbraw/zinc/09/64/75/195096475.db2.gz FFAOTFKTMVUVHZ-CMPLNLGQSA-N -1 1 281.327 3.065 20 0 CGADMM CCN(C(=O)c1ccc(Cl)cc1[O-])C1CCC1 ZINC000335336400 208220111 /nfs/dbraw/zinc/22/01/11/208220111.db2.gz KJCBMDZUKQYZEY-UHFFFAOYSA-N -1 1 253.729 3.060 20 0 CGADMM O=S(=O)([N-]c1cc(Cl)ccc1O)C1=CCCCC1 ZINC000281176574 195135699 /nfs/dbraw/zinc/13/56/99/195135699.db2.gz NHMXDIIMIDMDBC-UHFFFAOYSA-N -1 1 287.768 3.245 20 0 CGADMM O=C([O-])C[C@@H]1CCCN(Cc2ccsc2Cl)C1 ZINC000308352315 542422612 /nfs/dbraw/zinc/42/26/12/542422612.db2.gz CQDXGWXXDJYAKU-VIFPVBQESA-N -1 1 273.785 3.088 20 0 CGADMM CC1(C)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000312042552 542431084 /nfs/dbraw/zinc/43/10/84/542431084.db2.gz SGPYDXZTCUMRPZ-UHFFFAOYSA-N -1 1 255.317 3.027 20 0 CGADMM Cc1cccc2nc(-c3ccc4cnn(C)c4c3)[n-]c(=O)c12 ZINC000446993057 542669784 /nfs/dbraw/zinc/66/97/84/542669784.db2.gz GPEMYLUZYWQRIA-UHFFFAOYSA-N -1 1 290.326 3.198 20 0 CGADMM Cc1ccc(-c2ccc(CN[C@@H](C(=O)[O-])C(C)C)o2)cc1 ZINC000262726351 131256767 /nfs/dbraw/zinc/25/67/67/131256767.db2.gz ZIMNLXSOOOOXCB-MRXNPFEDSA-N -1 1 287.359 3.454 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](C2CC2)C1 ZINC000372340435 392599994 /nfs/dbraw/zinc/59/99/94/392599994.db2.gz RXVRROXEFJNQDY-HNNXBMFYSA-N -1 1 281.355 3.418 20 0 CGADMM CC[C@@H](CC(F)F)C(=O)Nc1ccc(F)cc1[O-] ZINC000457655504 392720262 /nfs/dbraw/zinc/72/02/62/392720262.db2.gz BYNGKIXIQRNTGB-ZETCQYMHSA-N -1 1 261.243 3.151 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC000416285676 393292920 /nfs/dbraw/zinc/29/29/20/393292920.db2.gz HTTCUDCQIHHBBG-QWHCGFSZSA-N -1 1 290.407 3.382 20 0 CGADMM CC[C@@H]1CCC[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000648940477 393296014 /nfs/dbraw/zinc/29/60/14/393296014.db2.gz DYSOIFMZXDYWCL-NXEZZACHSA-N -1 1 251.301 3.296 20 0 CGADMM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000360884753 393606595 /nfs/dbraw/zinc/60/65/95/393606595.db2.gz LTZYSFAJFSLMGH-ZJUUUORDSA-N -1 1 291.363 3.068 20 0 CGADMM Cc1nc(-c2ccc(NC[C@@H]3CC3(C)C)nc2)[n-]c(=O)c1C ZINC000361025103 393648833 /nfs/dbraw/zinc/64/88/33/393648833.db2.gz JDIJIGZHEJQDPZ-ZDUSSCGKSA-N -1 1 298.390 3.319 20 0 CGADMM COc1cc(C(=O)N2CCCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000443123653 393744608 /nfs/dbraw/zinc/74/46/08/393744608.db2.gz NCMWOPBUIWHDCH-JTQLQIEISA-N -1 1 297.782 3.316 20 0 CGADMM [O-]c1ccc(-c2noc(CCc3ccco3)n2)c(Cl)c1 ZINC000445450923 393795674 /nfs/dbraw/zinc/79/56/74/393795674.db2.gz YJSYJLHDUHEXNB-UHFFFAOYSA-N -1 1 290.706 3.474 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3Cc4ccccc43)n2)c(F)c1 ZINC000445461265 393796494 /nfs/dbraw/zinc/79/64/94/393796494.db2.gz WYBOEJBCOVMVRX-ZDUSSCGKSA-N -1 1 282.274 3.269 20 0 CGADMM Cc1ccc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)nc1 ZINC000445477261 393799237 /nfs/dbraw/zinc/79/92/37/393799237.db2.gz BPWUDGBXRDGOMY-ALCCZGGFSA-N -1 1 297.289 3.455 20 0 CGADMM [O-]c1ccc(-c2noc(CC3CCCC3)n2)cc1F ZINC000445485910 393800003 /nfs/dbraw/zinc/80/00/03/393800003.db2.gz FWDVXADKIVVJET-UHFFFAOYSA-N -1 1 262.284 3.314 20 0 CGADMM C[C@@H]1CCCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000668771468 543058793 /nfs/dbraw/zinc/05/87/93/543058793.db2.gz PJVHQVHZTBYCMQ-GFCCVEGCSA-N -1 1 284.359 3.345 20 0 CGADMM CC(C)CCN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000042239464 397613567 /nfs/dbraw/zinc/61/35/67/397613567.db2.gz ZINFEZDMKYTGEY-UHFFFAOYSA-N -1 1 255.745 3.164 20 0 CGADMM CCC[C@H](OC)c1noc(-c2ccc([O-])cc2F)n1 ZINC000232390353 397668255 /nfs/dbraw/zinc/66/82/55/397668255.db2.gz YDDVYNTWICHCNS-NSHDSACASA-N -1 1 266.272 3.069 20 0 CGADMM CC[C@@H](C(=O)[O-])N(C)Cc1cnc(-c2ccccc2)s1 ZINC000650517081 397862354 /nfs/dbraw/zinc/86/23/54/397862354.db2.gz WZRDRMPQHGVZDN-ZDUSSCGKSA-N -1 1 290.388 3.105 20 0 CGADMM CC[C@H](C(=O)[O-])N(C)Cc1cnc(-c2ccccc2)s1 ZINC000650517080 397862388 /nfs/dbraw/zinc/86/23/88/397862388.db2.gz WZRDRMPQHGVZDN-CYBMUJFWSA-N -1 1 290.388 3.105 20 0 CGADMM CCCCc1nc(CN2CCC[C@@H](CC(=O)[O-])C2)cs1 ZINC000676234146 543387925 /nfs/dbraw/zinc/38/79/25/543387925.db2.gz XRXAICIGADMJET-LBPRGKRZSA-N -1 1 296.436 3.172 20 0 CGADMM CCN(C[C@H]1CCOC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000677873377 543470100 /nfs/dbraw/zinc/47/01/00/543470100.db2.gz BZWZQNZNYYWLLI-CYBMUJFWSA-N -1 1 299.370 3.044 20 0 CGADMM Cc1ccncc1[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000678425602 543524797 /nfs/dbraw/zinc/52/47/97/543524797.db2.gz YZOGXGBZPXGDPB-JTQLQIEISA-N -1 1 290.750 3.240 20 0 CGADMM CN(CC1CCC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000061482170 286958401 /nfs/dbraw/zinc/95/84/01/286958401.db2.gz MGFSVPJIWFGTGK-UHFFFAOYSA-N -1 1 269.344 3.418 20 0 CGADMM COc1cccc(CC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000067739031 286975857 /nfs/dbraw/zinc/97/58/57/286975857.db2.gz DLJOCAPZYMDCSP-UHFFFAOYSA-N -1 1 291.734 3.235 20 0 CGADMM O=C(N[C@H]1CC=CCC1)c1ccc2ccccc2c1[O-] ZINC000080110413 287063268 /nfs/dbraw/zinc/06/32/68/287063268.db2.gz BKHDMAUCNKWAJD-ZDUSSCGKSA-N -1 1 267.328 3.384 20 0 CGADMM C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)C1CCCCC1 ZINC000128069266 287302962 /nfs/dbraw/zinc/30/29/62/287302962.db2.gz ILSYUHACJSSACW-LBPRGKRZSA-N -1 1 298.386 3.227 20 0 CGADMM CCc1c(C)sc2[n-]c([C@H]3CC(CC)=NO3)nc(=O)c12 ZINC000078807329 177391213 /nfs/dbraw/zinc/39/12/13/177391213.db2.gz LRGHSLHWCSFLEX-SNVBAGLBSA-N -1 1 291.376 3.083 20 0 CGADMM CC(C)c1nc(CN2CCCC[C@H]2CC(=O)[O-])cs1 ZINC000049277367 416469847 /nfs/dbraw/zinc/46/98/47/416469847.db2.gz JSIUTDBBNMAPSG-LBPRGKRZSA-N -1 1 282.409 3.096 20 0 CGADMM COC[C@H](C)Cc1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000404247487 416552078 /nfs/dbraw/zinc/55/20/78/416552078.db2.gz HMNKSFSNIZBOQN-LLVKDONJSA-N -1 1 298.342 3.420 20 0 CGADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(Cl)s1)CC2 ZINC000405409415 416558643 /nfs/dbraw/zinc/55/86/43/416558643.db2.gz WBUHOABBWAUHOQ-SNVBAGLBSA-N -1 1 285.796 3.088 20 0 CGADMM Cc1cc(C)c(NC(=O)c2cc(-c3ccco3)n[nH]2)cc1O ZINC000680825696 543737490 /nfs/dbraw/zinc/73/74/90/543737490.db2.gz WUFBGKKLSCPLCX-UHFFFAOYSA-N -1 1 297.314 3.244 20 0 CGADMM CCN(Cc1cccs1)C(=O)c1ccc([O-])c(F)c1 ZINC000681015730 543756523 /nfs/dbraw/zinc/75/65/23/543756523.db2.gz FYCOBORUHVTIKL-UHFFFAOYSA-N -1 1 279.336 3.255 20 0 CGADMM O=C(NCc1cccc(Cl)c1)c1ccc([O-])c(F)c1 ZINC000681014729 543757057 /nfs/dbraw/zinc/75/70/57/543757057.db2.gz JSXXBBBMFRYQFP-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM O=C(NC[C@H]1CCCc2ccccc21)c1ccc([O-])c(F)c1 ZINC000681016826 543757459 /nfs/dbraw/zinc/75/74/59/543757459.db2.gz JIPNAXGAMSZGCK-CQSZACIVSA-N -1 1 299.345 3.381 20 0 CGADMM CN(CC1CCCCC1)C(=O)c1ccc([O-])c(F)c1 ZINC000681016964 543757928 /nfs/dbraw/zinc/75/79/28/543757928.db2.gz QXFJLXCOURJOSY-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM O=C(Nc1nc(C2CC2)cs1)c1ccc([O-])c(F)c1 ZINC000681021873 543758504 /nfs/dbraw/zinc/75/85/04/543758504.db2.gz TUWVHGCEQRCPIX-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM CC(C)[C@@H](C)N(C(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000681025391 543758558 /nfs/dbraw/zinc/75/85/58/543758558.db2.gz OWZJJYSMIIWTAQ-SNVBAGLBSA-N -1 1 265.328 3.180 20 0 CGADMM CC[C@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681046894 543760722 /nfs/dbraw/zinc/76/07/22/543760722.db2.gz FPFBDDAXWQQDBO-NSHDSACASA-N -1 1 265.328 3.184 20 0 CGADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc([O-])c(F)c1 ZINC000681050697 543761432 /nfs/dbraw/zinc/76/14/32/543761432.db2.gz KKWRDNAJAXBYFG-GXTWGEPZSA-N -1 1 277.339 3.230 20 0 CGADMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc([O-])c(F)c3)C2)C1 ZINC000681068954 543762841 /nfs/dbraw/zinc/76/28/41/543762841.db2.gz ULLLCJZLUAZRHW-BDJLRTHQSA-N -1 1 277.339 3.184 20 0 CGADMM CCCc1csc(NC(=O)c2ccc([O-])c(F)c2)n1 ZINC000681066892 543762944 /nfs/dbraw/zinc/76/29/44/543762944.db2.gz SZIHXQGBGJPGKJ-UHFFFAOYSA-N -1 1 280.324 3.193 20 0 CGADMM Cc1cnc(C(=O)N2CCc3ccccc3C2(C)C)c([O-])c1 ZINC000681743106 543805370 /nfs/dbraw/zinc/80/53/70/543805370.db2.gz VFANZOAAUTVXQP-UHFFFAOYSA-N -1 1 296.370 3.029 20 0 CGADMM Cc1cc(F)ccc1CN(C)C(=O)c1ccc([O-])c(F)c1 ZINC000683118969 543897097 /nfs/dbraw/zinc/89/70/97/543897097.db2.gz OOAXEKQCWZILQT-UHFFFAOYSA-N -1 1 291.297 3.251 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccsc3)no2)c(F)c1 ZINC000131893512 287392399 /nfs/dbraw/zinc/39/23/99/287392399.db2.gz BZRJJFOSAUKBPG-UHFFFAOYSA-N -1 1 262.265 3.310 20 0 CGADMM O=C(c1ccccc1[O-])N1CCCCc2sccc21 ZINC000684782413 544029155 /nfs/dbraw/zinc/02/91/55/544029155.db2.gz SOPKUAVPOOUUII-UHFFFAOYSA-N -1 1 273.357 3.437 20 0 CGADMM O=C(NCC1(C2CC2)CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684876705 544035213 /nfs/dbraw/zinc/03/52/13/544035213.db2.gz CYQBORDEZYLJIQ-UHFFFAOYSA-N -1 1 299.292 3.331 20 0 CGADMM O=C(NC1(C(F)F)CCCC1)c1cc(Cl)ccc1[O-] ZINC000685281024 544059807 /nfs/dbraw/zinc/05/98/07/544059807.db2.gz AUMTUPCBICVOOF-UHFFFAOYSA-N -1 1 289.709 3.353 20 0 CGADMM COc1cc(C(=O)N2C[C@@H](C)CC[C@H]2C)cc(Cl)c1[O-] ZINC000135154695 287462408 /nfs/dbraw/zinc/46/24/08/287462408.db2.gz IGJLGQOKUMXINZ-VHSXEESVSA-N -1 1 297.782 3.315 20 0 CGADMM CCN(CCC(=O)[O-])Cc1csc(-c2ccc(C)o2)n1 ZINC000652464752 418971662 /nfs/dbraw/zinc/97/16/62/418971662.db2.gz ZAGXMSQKMYPAOG-UHFFFAOYSA-N -1 1 294.376 3.008 20 0 CGADMM CC1(C)CC[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000664850907 419014046 /nfs/dbraw/zinc/01/40/46/419014046.db2.gz YIMUZLUPTWFZLR-VIFPVBQESA-N -1 1 262.284 3.485 20 0 CGADMM CO[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CCC1 ZINC000664851463 419014222 /nfs/dbraw/zinc/01/42/22/419014222.db2.gz XDSQNYPBJKYCAF-LBPRGKRZSA-N -1 1 278.283 3.069 20 0 CGADMM Cc1nsc(C)c1CSc1nc(C)c(C)c(=O)[n-]1 ZINC000655498641 419055214 /nfs/dbraw/zinc/05/52/14/419055214.db2.gz STJPWXRWNAJABS-UHFFFAOYSA-N -1 1 281.406 3.165 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000666313976 419207562 /nfs/dbraw/zinc/20/75/62/419207562.db2.gz JPPDCQFVIVHNAY-IACUBPJLSA-N -1 1 297.358 3.157 20 0 CGADMM C[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CC(C)(C)C1 ZINC000336176329 228203896 /nfs/dbraw/zinc/20/38/96/228203896.db2.gz ANEZJFAKJRZQAO-SNVBAGLBSA-N -1 1 291.420 3.265 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCS[C@@H]2CCCC[C@@H]21 ZINC000092426628 304498401 /nfs/dbraw/zinc/49/84/01/304498401.db2.gz DVDXXIWOMAOVJE-GXTWGEPZSA-N -1 1 295.379 3.032 20 0 CGADMM CC1(C)SC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000393824197 262222571 /nfs/dbraw/zinc/22/25/71/262222571.db2.gz XQHUMKXDEOEXCS-CYBMUJFWSA-N -1 1 287.384 3.169 20 0 CGADMM CSCc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000186114774 270065009 /nfs/dbraw/zinc/06/50/09/270065009.db2.gz VHWZLVFEMCLRMN-UHFFFAOYSA-N -1 1 289.356 3.213 20 0 CGADMM CC[C@@H](C)C[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000228855462 270088380 /nfs/dbraw/zinc/08/83/80/270088380.db2.gz SXVSHGZDYRVVRY-ZJUUUORDSA-N -1 1 253.317 3.086 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2F)[C@@H]1C ZINC000228835837 270087793 /nfs/dbraw/zinc/08/77/93/270087793.db2.gz ZVWOALXUFFJZDJ-CKYFFXLPSA-N -1 1 265.328 3.086 20 0 CGADMM CCC[C@H](CN=c1[n-]c(C(F)(F)F)cs1)OCC ZINC000528086609 270153951 /nfs/dbraw/zinc/15/39/51/270153951.db2.gz SRKQWAZMHCUDNT-MRVPVSSYSA-N -1 1 282.331 3.201 20 0 CGADMM O=C(NCc1cc2ccccc2o1)c1cc(F)ccc1[O-] ZINC000531190167 270205024 /nfs/dbraw/zinc/20/50/24/270205024.db2.gz UODRVZBPJQMHLP-UHFFFAOYSA-N -1 1 285.274 3.208 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1 ZINC000531781823 270209654 /nfs/dbraw/zinc/20/96/54/270209654.db2.gz ZTIHEOZYYIDZPP-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CCC1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CCC1 ZINC000531486226 270207498 /nfs/dbraw/zinc/20/74/98/270207498.db2.gz HNMGPMVZXYGZMK-UHFFFAOYSA-N -1 1 293.388 3.291 20 0 CGADMM COc1cccc([C@H](C)C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532622209 270217866 /nfs/dbraw/zinc/21/78/66/270217866.db2.gz MGYSYBQEOUUFEN-JTQLQIEISA-N -1 1 289.306 3.282 20 0 CGADMM Cc1ncc(/C=C\C(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000255624048 287874561 /nfs/dbraw/zinc/87/45/61/287874561.db2.gz RISIVODDWSBFJF-HYXAFXHYSA-N -1 1 294.763 3.462 20 0 CGADMM COc1ccc(C(=O)N2CCCc3ccc(C)cc32)c([O-])c1 ZINC000110394117 277400913 /nfs/dbraw/zinc/40/09/13/277400913.db2.gz QIOQOHCIBWCOAB-UHFFFAOYSA-N -1 1 297.354 3.302 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCC1(F)F ZINC000290971785 288030215 /nfs/dbraw/zinc/03/02/15/288030215.db2.gz QVWQOZWNQNOVBZ-MRVPVSSYSA-N -1 1 289.709 3.163 20 0 CGADMM C[C@@H]1CSC[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000397826183 288031542 /nfs/dbraw/zinc/03/15/42/288031542.db2.gz BBUDGBAYRAACLL-YGRLFVJLSA-N -1 1 287.384 3.027 20 0 CGADMM CC1(C)CN(C(=O)c2cc(Cl)ccc2[O-])[C@H]1C1CC1 ZINC000291992419 278320275 /nfs/dbraw/zinc/32/02/75/278320275.db2.gz WMQZTJAFKPLGEJ-ZDUSSCGKSA-N -1 1 279.767 3.306 20 0 CGADMM CC1(C)CN(C(=O)c2ncccc2[O-])[C@@H]1c1cccs1 ZINC000291777023 278327320 /nfs/dbraw/zinc/32/73/20/278327320.db2.gz ULOBTJNKPUGXHL-CYBMUJFWSA-N -1 1 288.372 3.072 20 0 CGADMM C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCC1 ZINC000411403832 288056455 /nfs/dbraw/zinc/05/64/55/288056455.db2.gz XLFNPQNKWTVBNK-JTQLQIEISA-N -1 1 285.347 3.157 20 0 CGADMM C[C@H]1CCC[C@H](OCC(=O)Nc2cccc(F)c2[O-])C1 ZINC000530004554 288281011 /nfs/dbraw/zinc/28/10/11/288281011.db2.gz BTSPKNOYPOMOFE-QWRGUYRKSA-N -1 1 281.327 3.065 20 0 CGADMM Cc1nc(C(C)C)oc1C(=O)Nc1cccc(F)c1[O-] ZINC000530006914 288282006 /nfs/dbraw/zinc/28/20/06/288282006.db2.gz XSGFSRQFZRPKPV-UHFFFAOYSA-N -1 1 278.283 3.203 20 0 CGADMM Cc1cc([C@H](C)N2CCC(F)(F)CC2)oc1C(=O)[O-] ZINC000530173654 288293067 /nfs/dbraw/zinc/29/30/67/288293067.db2.gz XSPSESJKOMWVGL-VIFPVBQESA-N -1 1 273.279 3.078 20 0 CGADMM CC[C@H](C)C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000536041203 288472755 /nfs/dbraw/zinc/47/27/55/288472755.db2.gz BMQLGMZFSABKSI-ZETCQYMHSA-N -1 1 283.784 3.198 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])C(=O)c1ccc(F)cc1 ZINC000544552830 288852499 /nfs/dbraw/zinc/85/24/99/288852499.db2.gz XZLYDGHXYPEQEV-UHFFFAOYSA-N -1 1 293.681 3.006 20 0 CGADMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cncc([O-])c2)C1 ZINC000131729526 292705950 /nfs/dbraw/zinc/70/59/50/292705950.db2.gz YQTFFSKIWADKMO-ZFWWWQNUSA-N -1 1 296.370 3.114 20 0 CGADMM O=C(Cc1coc2ccccc12)Nc1ccc(F)cc1[O-] ZINC000552132777 289166761 /nfs/dbraw/zinc/16/67/61/289166761.db2.gz HNYZXXCPZKWVHM-UHFFFAOYSA-N -1 1 285.274 3.459 20 0 CGADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000300423047 297244985 /nfs/dbraw/zinc/24/49/85/297244985.db2.gz XDPJXBXKHMQLAW-MXWKQRLJSA-N -1 1 265.328 3.038 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2c(C)onc2CC)n1 ZINC000154910760 321753143 /nfs/dbraw/zinc/75/31/43/321753143.db2.gz RLFWKUJIUYJNQP-UHFFFAOYSA-N -1 1 293.392 3.286 20 0 CGADMM Cc1cccc([C@@H](C)S(=O)(=O)c2ccc([O-])cc2)c1 ZINC000172871927 321945326 /nfs/dbraw/zinc/94/53/26/321945326.db2.gz VSMFRJZFJCPJIW-GFCCVEGCSA-N -1 1 276.357 3.236 20 0 CGADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(C2CC2)n(CC)n1 ZINC000563623433 322004517 /nfs/dbraw/zinc/00/45/17/322004517.db2.gz FOTVHKLLAPSALJ-LBPRGKRZSA-N -1 1 299.440 3.101 20 0 CGADMM O=C([O-])c1coc(CN2CCC[C@@H]2c2cccs2)c1 ZINC000565102161 322059836 /nfs/dbraw/zinc/05/98/36/322059836.db2.gz DRNCPVBYVZLSML-GFCCVEGCSA-N -1 1 277.345 3.376 20 0 CGADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000565692123 322086819 /nfs/dbraw/zinc/08/68/19/322086819.db2.gz UNJCPDGUACJGRG-YGRLFVJLSA-N -1 1 279.355 3.476 20 0 CGADMM CCc1ccccc1CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000568065656 322191747 /nfs/dbraw/zinc/19/17/47/322191747.db2.gz BNFQWKRZYJCGOF-UHFFFAOYSA-N -1 1 287.359 3.481 20 0 CGADMM CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1noc(C)c1C(=O)[O-] ZINC000568520582 322212318 /nfs/dbraw/zinc/21/23/18/322212318.db2.gz HIDGRFFBJJCXHV-LBPRGKRZSA-N -1 1 280.368 3.082 20 0 CGADMM CCc1nc(SCCc2csc(C)n2)[n-]c(=O)c1C ZINC000570058575 322264170 /nfs/dbraw/zinc/26/41/70/322264170.db2.gz YXDFRYKOGMNWFQ-UHFFFAOYSA-N -1 1 295.433 3.153 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(F)cc1C ZINC000570933019 322285900 /nfs/dbraw/zinc/28/59/00/322285900.db2.gz AVXAIVBIXKOTQW-UHFFFAOYSA-N -1 1 291.322 3.366 20 0 CGADMM CC(C)=CCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000574588990 322448320 /nfs/dbraw/zinc/44/83/20/322448320.db2.gz GBBTXEZTLINRNQ-UHFFFAOYSA-N -1 1 264.272 3.259 20 0 CGADMM Cc1ccc(CN(C)Cc2cc(C(=O)[O-])oc2C)s1 ZINC000582852212 329280293 /nfs/dbraw/zinc/28/02/93/329280293.db2.gz YELZUKLJMISCGR-UHFFFAOYSA-N -1 1 279.361 3.288 20 0 CGADMM Cc1cnc(SC[C@H]2CCC[C@H](C)C2)[n-]c1=O ZINC000582976892 329293729 /nfs/dbraw/zinc/29/37/29/329293729.db2.gz XFCAEZNZTWDIJO-ONGXEEELSA-N -1 1 252.383 3.409 20 0 CGADMM C[C@@H]1CN(C(=O)c2c(F)ccc([O-])c2F)CC(C)(C)C1 ZINC000576314204 335188620 /nfs/dbraw/zinc/18/86/20/335188620.db2.gz JSBQPXQXPZGMHZ-VIFPVBQESA-N -1 1 283.318 3.179 20 0 CGADMM CCc1cccc(C)c1NC(=O)c1ccc(O)cc1[O-] ZINC000192637636 335285110 /nfs/dbraw/zinc/28/51/10/335285110.db2.gz XUQQCRLBVKAIGE-UHFFFAOYSA-N -1 1 271.316 3.221 20 0 CGADMM [O-]c1ccc(-c2noc(-c3conc3C3CC3)n2)c(F)c1 ZINC000350569059 335514948 /nfs/dbraw/zinc/51/49/48/335514948.db2.gz RJRGGEUXTGGOTJ-UHFFFAOYSA-N -1 1 287.250 3.114 20 0 CGADMM CO[C@H](C)c1nc(=NCC(C(C)C)C(C)C)s[n-]1 ZINC000385451792 336146833 /nfs/dbraw/zinc/14/68/33/336146833.db2.gz ZLRZCURAOCCRKS-SNVBAGLBSA-N -1 1 271.430 3.008 20 0 CGADMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccs2)s1 ZINC000426814932 534084875 /nfs/dbraw/zinc/08/48/75/534084875.db2.gz BWZOEXGPJORVOR-NSHDSACASA-N -1 1 267.375 3.034 20 0 CGADMM CC(C)CCN(C(=O)c1cncc([O-])c1)C1CCCC1 ZINC000094848811 519649923 /nfs/dbraw/zinc/64/99/23/519649923.db2.gz FVTGUOLVQAAHBG-UHFFFAOYSA-N -1 1 276.380 3.218 20 0 CGADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@@H](C)c1cccnc1 ZINC000094151560 520068355 /nfs/dbraw/zinc/06/83/55/520068355.db2.gz BHFHBCYARZSFCW-NSHDSACASA-N -1 1 288.322 3.150 20 0 CGADMM O=C([O-])c1coc(CNCc2cc3ccccc3s2)c1 ZINC000426698799 534551649 /nfs/dbraw/zinc/55/16/49/534551649.db2.gz BQWXMLGXBIKSJS-UHFFFAOYSA-N -1 1 287.340 3.482 20 0 CGADMM O=C(N[C@@H]1CC[C@@H](F)C1)c1ccc2ccccc2c1[O-] ZINC000436743592 534759989 /nfs/dbraw/zinc/75/99/89/534759989.db2.gz HOGFICYJNDCBIY-VXGBXAGGSA-N -1 1 273.307 3.166 20 0 CGADMM CC(=O)c1ccc(NC(=O)c2cccc(C)c2[O-])cc1C ZINC000436834205 527315441 /nfs/dbraw/zinc/31/54/41/527315441.db2.gz ONJHBBQXLVGXKN-UHFFFAOYSA-N -1 1 283.327 3.464 20 0 CGADMM [O-]c1cccc(CN(CCO)c2ccccc2)c1Cl ZINC000353133703 527550672 /nfs/dbraw/zinc/55/06/72/527550672.db2.gz FQFKYPFAAJPBFA-UHFFFAOYSA-N -1 1 277.751 3.045 20 0 CGADMM CCC[C@@]1(C)CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436703763 527928398 /nfs/dbraw/zinc/92/83/98/527928398.db2.gz MVMKMNGYGXNZTC-KRWDZBQOSA-N -1 1 289.375 3.004 20 0 CGADMM CCCNc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000436980893 528574362 /nfs/dbraw/zinc/57/43/62/528574362.db2.gz AJHOIBOJMXGAHJ-UHFFFAOYSA-N -1 1 286.331 3.172 20 0 CGADMM CCN(C(=O)c1ccc([O-])cc1F)C1CC(C)(C)C1 ZINC000412813448 529085033 /nfs/dbraw/zinc/08/50/33/529085033.db2.gz OXQRMANSKLYCNA-UHFFFAOYSA-N -1 1 265.328 3.182 20 0 CGADMM CC[C@@H](C)CN(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436532201 529313424 /nfs/dbraw/zinc/31/34/24/529313424.db2.gz FOHAEVQNFUZTBG-SECBINFHSA-N -1 1 285.771 3.172 20 0 CGADMM CCc1cc(=O)[n-]c(SCC23CCC(CC2)C3)n1 ZINC000450905058 536154557 /nfs/dbraw/zinc/15/45/57/536154557.db2.gz GRHBCJWVKVUWHQ-UHFFFAOYSA-N -1 1 264.394 3.417 20 0 CGADMM Cc1oc(CN(C)[C@@H](C)c2cccc(O)c2)cc1C(=O)[O-] ZINC000738966486 572397932 /nfs/dbraw/zinc/39/79/32/572397932.db2.gz FTYDNCVEFKGKQU-JTQLQIEISA-N -1 1 289.331 3.185 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](c2ccco2)C1 ZINC000732292526 572458810 /nfs/dbraw/zinc/45/88/10/572458810.db2.gz YKCIVRGZPIGNFM-SNVBAGLBSA-N -1 1 291.734 3.268 20 0 CGADMM CC[C@@H](c1ccc(F)cc1F)N1CCC(NC(=O)[O-])CC1 ZINC000739277147 572539733 /nfs/dbraw/zinc/53/97/33/572539733.db2.gz JBZCRMQVMDOWAV-AWEZNQCLSA-N -1 1 298.333 3.148 20 0 CGADMM CCCCCCOCC(=O)Nc1c([O-])cccc1F ZINC000743417347 572658359 /nfs/dbraw/zinc/65/83/59/572658359.db2.gz WNWRGJOILHWGPX-UHFFFAOYSA-N -1 1 269.316 3.067 20 0 CGADMM CN(CCc1cccs1)C(=O)c1c([O-])cccc1Cl ZINC000743754100 572682112 /nfs/dbraw/zinc/68/21/12/572682112.db2.gz ZLPPPMWQUQYCNN-UHFFFAOYSA-N -1 1 295.791 3.422 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C)cc2)c1 ZINC000744475232 572756699 /nfs/dbraw/zinc/75/66/99/572756699.db2.gz VVSXBEDUJHDUMF-UHFFFAOYSA-N -1 1 298.338 3.303 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccsc2)c1 ZINC000744518252 572760695 /nfs/dbraw/zinc/76/06/95/572760695.db2.gz BVBVTWFKZIUHGH-UHFFFAOYSA-N -1 1 290.340 3.056 20 0 CGADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccccc1 ZINC000747383973 572927319 /nfs/dbraw/zinc/92/73/19/572927319.db2.gz OUAZNEJBELXXTO-NSHDSACASA-N -1 1 299.374 3.105 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc(Cl)nc1 ZINC000820602255 597351878 /nfs/dbraw/zinc/35/18/78/597351878.db2.gz RWCZXKZFFCDNCT-UHFFFAOYSA-N -1 1 290.750 3.065 20 0 CGADMM CCc1ncc(CN(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000737285971 600014071 /nfs/dbraw/zinc/01/40/71/600014071.db2.gz XKATXHUYXDPRAC-UHFFFAOYSA-N -1 1 290.388 3.036 20 0 CGADMM C/C(=C/CN(C)[C@@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000088630686 601051613 /nfs/dbraw/zinc/05/16/13/601051613.db2.gz MAICGKBRFGOZSA-IEHMKBBKSA-N -1 1 267.756 3.364 20 0 CGADMM Cc1cc(CN2C[C@H](C)[C@H]2c2ccccc2)oc1C(=O)[O-] ZINC000832882522 601179191 /nfs/dbraw/zinc/17/91/91/601179191.db2.gz JQPZCQAGXBTNHA-WFASDCNBSA-N -1 1 285.343 3.479 20 0 CGADMM O=C([O-])c1ccc(CN2CC[C@@H]2c2ccccc2)cc1F ZINC000833313514 601642565 /nfs/dbraw/zinc/64/25/65/601642565.db2.gz YALIETQLIMYGTB-MRXNPFEDSA-N -1 1 285.318 3.471 20 0 CGADMM CN(Cc1ccsc1C(=O)[O-])Cc1ccc(F)cc1 ZINC000104327612 601803976 /nfs/dbraw/zinc/80/39/76/601803976.db2.gz GBABWNIELXJENY-UHFFFAOYSA-N -1 1 279.336 3.217 20 0 CGADMM C[C@@H](c1cccc(O)c1)N(C)Cc1ccsc1C(=O)[O-] ZINC000827941559 601825642 /nfs/dbraw/zinc/82/56/42/601825642.db2.gz LQHHOUPCADUYRC-JTQLQIEISA-N -1 1 291.372 3.345 20 0 CGADMM Cc1ccccc1CSCc1ccnc(-c2nnn[n-]2)c1 ZINC000826307761 607532586 /nfs/dbraw/zinc/53/25/86/607532586.db2.gz VSQCESBXXKVZMG-UHFFFAOYSA-N -1 1 297.387 3.004 20 0 CGADMM Cc1ccccc1CSCc1ccnc(-c2nn[n-]n2)c1 ZINC000826307761 607532587 /nfs/dbraw/zinc/53/25/87/607532587.db2.gz VSQCESBXXKVZMG-UHFFFAOYSA-N -1 1 297.387 3.004 20 0 CGADMM CN(CCF)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830781127 602326478 /nfs/dbraw/zinc/32/64/78/602326478.db2.gz JUCPZCVRJNBPKT-SNVBAGLBSA-N -1 1 280.126 3.020 20 0 CGADMM Cc1[n-]n(-c2cc(Cl)ccc2C)c(=O)c1C1CC1 ZINC000899362372 620670110 /nfs/dbraw/zinc/67/01/10/620670110.db2.gz RFXAYVJNEBZCNK-ZDUSSCGKSA-N -1 1 262.740 3.397 20 0 CGADMM CC(C)C[C@@H](N[C@@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000043432422 604407462 /nfs/dbraw/zinc/40/74/62/604407462.db2.gz FUPMCOJHXGPQDE-CMPLNLGQSA-N -1 1 292.404 3.446 20 0 CGADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C/C(Cl)=C\Cl)C1 ZINC000211376370 604941614 /nfs/dbraw/zinc/94/16/14/604941614.db2.gz JIJSZRDQEWSSNQ-CMWXKVOJSA-N -1 1 280.195 3.128 20 0 CGADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C/C(Cl)=C/Cl)C1 ZINC000135040144 604941767 /nfs/dbraw/zinc/94/17/67/604941767.db2.gz JIJSZRDQEWSSNQ-LKJZUNMESA-N -1 1 280.195 3.128 20 0 CGADMM C/C(=C\CN[C@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC000833381738 605173971 /nfs/dbraw/zinc/17/39/71/605173971.db2.gz DVWQWYJAOBKEMM-BNICOGTQSA-N -1 1 271.719 3.161 20 0 CGADMM CCc1cnccc1[C@@H](C)N[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000833673847 605270802 /nfs/dbraw/zinc/27/08/02/605270802.db2.gz OHKCPCILLLSFCH-GHMZBOCLSA-N -1 1 288.347 3.347 20 0 CGADMM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1cc(C(=O)[O-])co1 ZINC000833607364 605701483 /nfs/dbraw/zinc/70/14/83/605701483.db2.gz ZXUFMCFSXYTUIO-WPRPVWTQSA-N -1 1 291.269 3.141 20 0 CGADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1C ZINC000822255178 606411825 /nfs/dbraw/zinc/41/18/25/606411825.db2.gz XJXNYFFRYVSMOF-UHFFFAOYSA-N -1 1 285.376 3.157 20 0 CGADMM CSCc1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC000900025959 620749060 /nfs/dbraw/zinc/74/90/60/620749060.db2.gz FJEYMPMWQPHHNH-UHFFFAOYSA-N -1 1 291.372 3.131 20 0 CGADMM COc1cc(C(=O)N[C@@H]2CC=CC[C@H]2C)cc(Cl)c1[O-] ZINC000890769714 617831003 /nfs/dbraw/zinc/83/10/03/617831003.db2.gz GXGYRZLAWNTRCN-BXKDBHETSA-N -1 1 295.766 3.139 20 0 CGADMM C[C@H](C(=O)[N-]OC1CCC1)c1ccccc1C(F)(F)F ZINC000812789056 617853860 /nfs/dbraw/zinc/85/38/60/617853860.db2.gz KDRGYWIJQRZXGF-VIFPVBQESA-N -1 1 287.281 3.409 20 0 CGADMM CC(C)CCN(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900143080 620766329 /nfs/dbraw/zinc/76/63/29/620766329.db2.gz BLEWGSQDEXLIPW-UHFFFAOYSA-N -1 1 290.338 3.198 20 0 CGADMM CC[C@H]1CCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900536946 620797381 /nfs/dbraw/zinc/79/73/81/620797381.db2.gz BFCWCRFKBDBTLE-JTQLQIEISA-N -1 1 288.322 3.094 20 0 CGADMM COc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925566 618705431 /nfs/dbraw/zinc/70/54/31/618705431.db2.gz MKDJBHUCVILRSD-CQSZACIVSA-N -1 1 295.354 3.054 20 0 CGADMM O=C([O-])c1cccc(CN[C@H]2CCCc3sccc32)n1 ZINC000236490509 618858310 /nfs/dbraw/zinc/85/83/10/618858310.db2.gz MVEZVUQJUSRSJJ-LBPRGKRZSA-N -1 1 288.372 3.009 20 0 CGADMM Cc1scc(C(=O)Nc2nc(Cl)ccc2[O-])c1C ZINC000194584793 619141543 /nfs/dbraw/zinc/14/15/43/619141543.db2.gz VNQPSOXFOUXBSL-UHFFFAOYSA-N -1 1 282.752 3.371 20 0 CGADMM CCC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000909343286 619157326 /nfs/dbraw/zinc/15/73/26/619157326.db2.gz ZVSRNQTYBSWCFP-HNNXBMFYSA-N -1 1 297.354 3.129 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccccc1F ZINC000082192749 625324862 /nfs/dbraw/zinc/32/48/62/625324862.db2.gz KTOZSQGRRNOWGK-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cc2ccccc2cc1[O-] ZINC000318131014 619259747 /nfs/dbraw/zinc/25/97/47/619259747.db2.gz SPILDGMFYOLPQY-CHWSQXEVSA-N -1 1 298.386 3.453 20 0 CGADMM CC(C)OCCON=c1cc(Cl)[n-]c(C2CCC2)n1 ZINC000893935707 619335901 /nfs/dbraw/zinc/33/59/01/619335901.db2.gz SNLKAIQNKSMCCO-UHFFFAOYSA-N -1 1 285.775 3.166 20 0 CGADMM C[C@H]1CC[C@H](CNC(=O)c2c([O-])cccc2Cl)C1 ZINC000794257469 619741002 /nfs/dbraw/zinc/74/10/02/619741002.db2.gz ACDJSEIEVJCPNW-UWVGGRQHSA-N -1 1 267.756 3.212 20 0 CGADMM Cc1ccccc1[C@H](C)CC(=O)[N-]OCc1ccccn1 ZINC000909536361 620073622 /nfs/dbraw/zinc/07/36/22/620073622.db2.gz LPJBDRIFORHDBD-CQSZACIVSA-N -1 1 284.359 3.132 20 0 CGADMM CCCN(CC(C)C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000751595712 620200443 /nfs/dbraw/zinc/20/04/43/620200443.db2.gz GBXHGBWKHXQRNM-UHFFFAOYSA-N -1 1 293.411 3.122 20 0 CGADMM CCc1oc(CN(C)Cc2ccccc2)cc1C(=O)[O-] ZINC000901415876 620880901 /nfs/dbraw/zinc/88/09/01/620880901.db2.gz SAUXJBZGLREYNK-UHFFFAOYSA-N -1 1 273.332 3.172 20 0 CGADMM C[C@@H]1CN(Cc2ccc(/C=C\C(=O)[O-])o2)C[C@H](C)C1(F)F ZINC000901539585 620919898 /nfs/dbraw/zinc/91/98/98/620919898.db2.gz IOFSBMHTDLOZCP-UORZZXJBSA-N -1 1 299.317 3.101 20 0 CGADMM Cc1c(Cl)cccc1CN1CCSC[C@H]1CC(=O)[O-] ZINC000901983047 621092331 /nfs/dbraw/zinc/09/23/31/621092331.db2.gz NMHKJESAPRDRKW-GFCCVEGCSA-N -1 1 299.823 3.041 20 0 CGADMM CCC[C@H](NCc1cc(C(=O)[O-])no1)c1ccccc1 ZINC000902071730 621125640 /nfs/dbraw/zinc/12/56/40/621125640.db2.gz GTNXDIOLYHVZET-ZDUSSCGKSA-N -1 1 274.320 3.004 20 0 CGADMM Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(C(=O)[O-])o1 ZINC000902174605 621185089 /nfs/dbraw/zinc/18/50/89/621185089.db2.gz PIOMGCLNICUGSF-AWEZNQCLSA-N -1 1 271.316 3.063 20 0 CGADMM Cc1cccc2c1CC[C@H]2NCc1cc(C(=O)[O-])co1 ZINC000902230577 621203934 /nfs/dbraw/zinc/20/39/34/621203934.db2.gz GTVSWBACTRTQIJ-OAHLLOKOSA-N -1 1 271.316 3.063 20 0 CGADMM Cc1cc(C)cc([C@@H](C)NCc2ccc(C(=O)[O-])o2)c1 ZINC000902235155 621205541 /nfs/dbraw/zinc/20/55/41/621205541.db2.gz JQZWRBCTQZHVNO-GFCCVEGCSA-N -1 1 273.332 3.445 20 0 CGADMM CC[C@@](C)(NCc1cc(C(=O)[O-])cs1)c1nccs1 ZINC000902294637 621231750 /nfs/dbraw/zinc/23/17/50/621231750.db2.gz HJFGTKUIECYGDK-CYBMUJFWSA-N -1 1 296.417 3.318 20 0 CGADMM CC(C)Cc1ccccc1CNCc1cccc(C(=O)[O-])n1 ZINC000902356321 621287605 /nfs/dbraw/zinc/28/76/05/621287605.db2.gz USHIREMJEZTQRE-UHFFFAOYSA-N -1 1 298.386 3.268 20 0 CGADMM Cc1cc(CN2CC(Cc3ccsc3)C2)oc1C(=O)[O-] ZINC000902463849 621337893 /nfs/dbraw/zinc/33/78/93/621337893.db2.gz UXUPADWEAMMDJC-UHFFFAOYSA-N -1 1 291.372 3.022 20 0 CGADMM O=S(=O)(CC1(F)CC1)[N-]c1cccc(Cl)c1Cl ZINC000903616040 621775487 /nfs/dbraw/zinc/77/54/87/621775487.db2.gz UYIWXJPNNGOXCK-UHFFFAOYSA-N -1 1 298.166 3.237 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(C(=O)[O-])s2)o1 ZINC000903676582 621787564 /nfs/dbraw/zinc/78/75/64/621787564.db2.gz ASMRFEQRNHEULA-BXKDBHETSA-N -1 1 291.372 3.453 20 0 CGADMM COc1c(C)cccc1CNCc1ccc(C(=O)[O-])s1 ZINC000903690680 621789238 /nfs/dbraw/zinc/78/92/38/621789238.db2.gz NZLYAAXFLNWZSI-UHFFFAOYSA-N -1 1 291.372 3.053 20 0 CGADMM Cc1coc(CN[C@@H](CCCc2ccccc2)C(=O)[O-])c1 ZINC000904002303 621846259 /nfs/dbraw/zinc/84/62/59/621846259.db2.gz RVTOLDWKDRJBPH-INIZCTEOSA-N -1 1 287.359 3.154 20 0 CGADMM COc1ccsc1CN[C@H](CC(=O)[O-])c1ccsc1 ZINC000903989072 621847495 /nfs/dbraw/zinc/84/74/95/621847495.db2.gz PVJWOJUDVCBTQO-SNVBAGLBSA-N -1 1 297.401 3.124 20 0 CGADMM Cc1coc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000904005376 621853112 /nfs/dbraw/zinc/85/31/12/621853112.db2.gz QPRCREYRALUIMM-WFASDCNBSA-N -1 1 273.332 3.140 20 0 CGADMM CCc1ccc(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)s1 ZINC000904012429 621854881 /nfs/dbraw/zinc/85/48/81/621854881.db2.gz ZVHQBIDEMQCVEZ-MFKMUULPSA-N -1 1 299.436 3.057 20 0 CGADMM Cc1cc2[n-]c(CCc3ncccc3C)nc(=O)c2s1 ZINC000905031641 622032344 /nfs/dbraw/zinc/03/23/44/622032344.db2.gz LIULESATKWQNGV-UHFFFAOYSA-N -1 1 285.372 3.194 20 0 CGADMM CC1(C)C[C@]1(NCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000905726509 622100981 /nfs/dbraw/zinc/10/09/81/622100981.db2.gz SZUORMYZOHGWJR-SFHVURJKSA-N -1 1 296.370 3.195 20 0 CGADMM O=C(C[C@H]1CCC2(CCC2)O1)Nc1cc([O-])c(F)cc1F ZINC000909972811 622439750 /nfs/dbraw/zinc/43/97/50/622439750.db2.gz PJSMYZFBLQNDMP-SECBINFHSA-N -1 1 297.301 3.101 20 0 CGADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985132 622440897 /nfs/dbraw/zinc/44/08/97/622440897.db2.gz FNYMGSOFWCCJQD-CLAHSXSESA-N -1 1 269.291 3.291 20 0 CGADMM CC[C@H](C)[C@@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985509 622441344 /nfs/dbraw/zinc/44/13/44/622441344.db2.gz KCCKPEMFVWLWBK-JGVFFNPUSA-N -1 1 257.280 3.291 20 0 CGADMM CC[C@@H](C)[C@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985510 622441502 /nfs/dbraw/zinc/44/15/02/622441502.db2.gz KCCKPEMFVWLWBK-SFYZADRCSA-N -1 1 257.280 3.291 20 0 CGADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cc([O-])c(F)cc1F ZINC000909987661 622444109 /nfs/dbraw/zinc/44/41/09/622444109.db2.gz BGKMMJXWUPKRBE-XHNCKOQMSA-N -1 1 267.275 3.045 20 0 CGADMM CS[C@@H](C)CCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910983413 622513438 /nfs/dbraw/zinc/51/34/38/622513438.db2.gz QMHFHOCBECRUBM-ZETCQYMHSA-N -1 1 275.320 3.141 20 0 CGADMM CC(C)(C(=O)Nc1cc(F)cc(F)c1[O-])[C@H]1CCCCO1 ZINC000910990120 622514125 /nfs/dbraw/zinc/51/41/25/622514125.db2.gz HTXVZSAAXAPPRW-GFCCVEGCSA-N -1 1 299.317 3.204 20 0 CGADMM CCO[C@H](c1noc(-c2cc(F)ccc2[O-])n1)C(C)C ZINC000157402225 622901314 /nfs/dbraw/zinc/90/13/14/622901314.db2.gz GMHBDCMJENNJJC-LBPRGKRZSA-N -1 1 280.299 3.315 20 0 CGADMM O=C(/C=C/c1cccc(F)c1)Nc1c([O-])cccc1F ZINC000089541473 623984814 /nfs/dbraw/zinc/98/48/14/623984814.db2.gz MRPBGCRYXGBEPX-BQYQJAHWSA-N -1 1 275.254 3.322 20 0 CGADMM COc1cccc(CSc2ncc(C)c(=O)[n-]2)c1C ZINC000917777994 624311029 /nfs/dbraw/zinc/31/10/29/624311029.db2.gz NYLSHIGQEGGVOM-UHFFFAOYSA-N -1 1 276.361 3.100 20 0 CGADMM Cc1cnc(SCC(C)(C)CC(F)F)[n-]c1=O ZINC000917778341 624311163 /nfs/dbraw/zinc/31/11/63/624311163.db2.gz PWMFOADKSDAYKS-UHFFFAOYSA-N -1 1 262.325 3.264 20 0 CGADMM O=C(NCCOC1CCCCC1)c1c([O-])cccc1Cl ZINC000920458540 624498337 /nfs/dbraw/zinc/49/83/37/624498337.db2.gz YQARLSGROCRJPY-UHFFFAOYSA-N -1 1 297.782 3.125 20 0 CGADMM O=C([N-]OCc1ccc(F)cc1)C1(Cc2ccccc2)CC1 ZINC000184187298 625209718 /nfs/dbraw/zinc/20/97/18/625209718.db2.gz NIUQEMRAYUTXOR-UHFFFAOYSA-N -1 1 299.345 3.396 20 0 CGADMM CC(C)(C)c1nc(CN2CCC[C@H](CC(=O)[O-])CC2)co1 ZINC000923239363 626138835 /nfs/dbraw/zinc/13/88/35/626138835.db2.gz FEBHAZKFRUFMTG-LBPRGKRZSA-N -1 1 294.395 3.049 20 0 CGADMM CC(C)(CCC(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000754081072 626474908 /nfs/dbraw/zinc/47/49/08/626474908.db2.gz XXOOJHJTBUFQRI-UHFFFAOYSA-N -1 1 289.297 3.355 20 0 CGADMM Cc1noc(C2CC2)c1[N-]C(=O)c1nc(Cl)ccc1F ZINC000766615240 627348330 /nfs/dbraw/zinc/34/83/30/627348330.db2.gz LOOAZRYYURGNDQ-UHFFFAOYSA-N -1 1 295.701 3.300 20 0 CGADMM C[C@@H]1SCCN(C(=O)c2c([O-])cccc2Cl)[C@H]1C ZINC000769880769 627586734 /nfs/dbraw/zinc/58/67/34/627586734.db2.gz DZOJEKQBEHALGD-IUCAKERBSA-N -1 1 285.796 3.012 20 0 CGADMM Cc1cnc([C@@H](C)O[N-]C(=O)CCCc2ccccc2)o1 ZINC000770694708 627638090 /nfs/dbraw/zinc/63/80/90/627638090.db2.gz RNISQYUIGOKARF-CYBMUJFWSA-N -1 1 288.347 3.115 20 0 CGADMM O=C(/C=C\c1ccccc1F)Nc1c([O-])cccc1F ZINC000770863621 627649116 /nfs/dbraw/zinc/64/91/16/627649116.db2.gz SPGFLRWCVJOFRV-HJWRWDBZSA-N -1 1 275.254 3.322 20 0 CGADMM CCOc1cc(C(=O)N[C@@H]2CC23CCC3)cc(Cl)c1[O-] ZINC000874790536 634618063 /nfs/dbraw/zinc/61/80/63/634618063.db2.gz KJWJDVLUFMDCKP-GFCCVEGCSA-N -1 1 295.766 3.117 20 0 CGADMM COc1cccc(Cl)c1CC(=O)[N-]OC1CCCCC1 ZINC000777960270 628314089 /nfs/dbraw/zinc/31/40/89/628314089.db2.gz BKEDIWTZCKSSCZ-UHFFFAOYSA-N -1 1 297.782 3.272 20 0 CGADMM Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1cn[n-]n1 ZINC000805604403 628339859 /nfs/dbraw/zinc/33/98/59/628339859.db2.gz HYQKKTHUCQWVDE-UHFFFAOYSA-N -1 1 287.363 3.076 20 0 CGADMM C[C@H](C(=O)[N-]Oc1ccccc1F)C1CCCC1 ZINC000874912446 634650542 /nfs/dbraw/zinc/65/05/42/634650542.db2.gz XELWGAJKZOVGIY-JTQLQIEISA-N -1 1 251.301 3.062 20 0 CGADMM CN(C(=O)c1cncc([O-])c1)c1ccc2ccccc2c1 ZINC000785768738 628887164 /nfs/dbraw/zinc/88/71/64/628887164.db2.gz QZVPIAHSFUOUCY-UHFFFAOYSA-N -1 1 278.311 3.217 20 0 CGADMM CCCC[C@@](C)(F)C(=O)Nc1cccc(F)c1[O-] ZINC000863007943 629459867 /nfs/dbraw/zinc/45/98/67/629459867.db2.gz BKZMKDUTBMZFPE-CYBMUJFWSA-N -1 1 257.280 3.388 20 0 CGADMM O=c1cc(C2CC2)nc(SCCC(F)(F)Cl)[n-]1 ZINC000863323557 629533975 /nfs/dbraw/zinc/53/39/75/629533975.db2.gz FLPDWCMKHWPOPS-UHFFFAOYSA-N -1 1 280.727 3.373 20 0 CGADMM C/C(=C/C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1)C(=O)[O-] ZINC000863471538 629581043 /nfs/dbraw/zinc/58/10/43/629581043.db2.gz VDVBYJUDQHZFCV-GXJZLWQJSA-N -1 1 295.329 3.175 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1CCCC2(CC2)C1 ZINC000888689779 634758319 /nfs/dbraw/zinc/75/83/19/634758319.db2.gz NTHOPEGGANGKFD-GFCCVEGCSA-N -1 1 293.794 3.427 20 0 CGADMM CC[C@H]1[C@H](C)CCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876396094 634826559 /nfs/dbraw/zinc/82/65/59/634826559.db2.gz WVSAGRLHXQMCHZ-MFKMUULPSA-N -1 1 296.798 3.376 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc(C)nc2Cl)n1 ZINC000840206126 630929325 /nfs/dbraw/zinc/92/93/25/630929325.db2.gz KFVBMMSFJLZMBK-UHFFFAOYSA-N -1 1 295.795 3.394 20 0 CGADMM O=C([N-]Cc1ccc(C2CC2)cc1F)C(F)(F)C(F)F ZINC000816791669 632051656 /nfs/dbraw/zinc/05/16/56/632051656.db2.gz ZFSHUWDAYAWUGQ-UHFFFAOYSA-N -1 1 293.235 3.220 20 0 CGADMM C[C@H](C(=O)[N-]OCC1CC1)c1ccccc1C(F)(F)F ZINC000817330572 632123906 /nfs/dbraw/zinc/12/39/06/632123906.db2.gz NPBAELAUCDXJDD-VIFPVBQESA-N -1 1 287.281 3.267 20 0 CGADMM COc1cnc(C=Cc2ccccc2OC(C)C)[n-]c1=O ZINC000821009302 632710970 /nfs/dbraw/zinc/71/09/70/632710970.db2.gz ZDCZBRDUHBFKEP-HJWRWDBZSA-N -1 1 286.331 3.148 20 0 CGADMM O=C(C[C@@H]1CC=CCC1)Nc1cc(F)cc(F)c1[O-] ZINC000822977609 633045451 /nfs/dbraw/zinc/04/54/51/633045451.db2.gz TXUXNOZNURVBDA-SECBINFHSA-N -1 1 267.275 3.355 20 0 CGADMM C[C@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)C(C)(C)C1 ZINC000866308289 633074951 /nfs/dbraw/zinc/07/49/51/633074951.db2.gz AWYPQQXNLHMIKI-SNVBAGLBSA-N -1 1 281.783 3.235 20 0 CGADMM CCOCCCCCC(=O)Nc1cccc(F)c1[O-] ZINC000869447989 633446346 /nfs/dbraw/zinc/44/63/46/633446346.db2.gz FPUVOVVVNYAKKV-UHFFFAOYSA-N -1 1 269.316 3.067 20 0 CGADMM Cc1cc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cs1 ZINC000871117501 633706490 /nfs/dbraw/zinc/70/64/90/633706490.db2.gz PTIDMQDKQXTAIA-UHFFFAOYSA-N -1 1 291.376 3.236 20 0 CGADMM Cc1ccc2nc(-c3coc(C4CC4)n3)[n-]c(=O)c2c1C ZINC000871602924 633801570 /nfs/dbraw/zinc/80/15/70/633801570.db2.gz YOZGEYKCXPQBAZ-UHFFFAOYSA-N -1 1 281.315 3.485 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1ccccc1C ZINC000830362471 633857274 /nfs/dbraw/zinc/85/72/74/633857274.db2.gz AEQXDZAOWQXXIU-UHFFFAOYSA-N -1 1 287.359 3.481 20 0 CGADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2C)s1 ZINC000871882264 633909119 /nfs/dbraw/zinc/90/91/19/633909119.db2.gz CYHORHOHIYLSAD-AWEZNQCLSA-N -1 1 275.373 3.280 20 0 CGADMM CCc1[n-]n(-c2c(C)cccc2Cl)c(=O)c1F ZINC000871955051 633924973 /nfs/dbraw/zinc/92/49/73/633924973.db2.gz QDGIAUZXCDLFCG-JTQLQIEISA-N -1 1 254.692 3.099 20 0 CGADMM CCCc1[n-]n(-c2ccnc(Cl)c2)c(=O)c1CC ZINC000871953580 633925495 /nfs/dbraw/zinc/92/54/95/633925495.db2.gz VMYHWRDLQVPAFL-SNVBAGLBSA-N -1 1 265.744 3.264 20 0 CGADMM CCc1c(=O)n(-c2ccc(Cl)nc2)[n-]c1C(C)C ZINC000871954112 633925660 /nfs/dbraw/zinc/92/56/60/633925660.db2.gz LEUFFQWKBREPAL-SNVBAGLBSA-N -1 1 265.744 3.120 20 0 CGADMM COC(=O)c1cccc(-n2[n-]c(CCC(C)C)cc2=O)c1 ZINC000871959208 633928412 /nfs/dbraw/zinc/92/84/12/633928412.db2.gz JHVLCEPLTHMKPF-UHFFFAOYSA-N -1 1 288.347 3.002 20 0 CGADMM CCCC(C)(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834823229 634248158 /nfs/dbraw/zinc/24/81/58/634248158.db2.gz WEVWJGXATXEESG-UHFFFAOYSA-N -1 1 269.772 3.488 20 0 CGADMM CC[C@@H](C)CCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825839 634249219 /nfs/dbraw/zinc/24/92/19/634249219.db2.gz NTHNCQYKABNYKK-SNVBAGLBSA-N -1 1 269.772 3.488 20 0 CGADMM CC(C)(C)CC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833991 634252554 /nfs/dbraw/zinc/25/25/54/634252554.db2.gz SDAFHGBYUHYOJX-UHFFFAOYSA-N -1 1 255.745 3.098 20 0 CGADMM CCc1cc(=O)[n-]c(SCC[C@@H]2CC2(Cl)Cl)n1 ZINC000842568896 635403540 /nfs/dbraw/zinc/40/35/40/635403540.db2.gz FAHOLDIDHHVDGJ-SSDOTTSWSA-N -1 1 293.219 3.421 20 0 CGADMM Cc1ccc(N(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000128650001 636054025 /nfs/dbraw/zinc/05/40/25/636054025.db2.gz XSMOTDMXKOBVCR-UHFFFAOYSA-N -1 1 259.280 3.116 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H]2CC(C)(C)OC2(C)C)n1 ZINC000882159032 636272937 /nfs/dbraw/zinc/27/29/37/636272937.db2.gz PSVHOUJZPFTKNV-SNVBAGLBSA-N -1 1 296.436 3.430 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H]2CCCC(C)(C)O2)n1 ZINC000882159229 636273183 /nfs/dbraw/zinc/27/31/83/636273183.db2.gz UWASKJNEEBNXFL-LLVKDONJSA-N -1 1 282.409 3.184 20 0 CGADMM CCc1nc(SC[C@H]2CCC3(CCC3)O2)[n-]c(=O)c1C ZINC000882177492 636279315 /nfs/dbraw/zinc/27/93/15/636279315.db2.gz RQUJJIIFVZUWNX-LLVKDONJSA-N -1 1 294.420 3.247 20 0 CGADMM CSCCCCCCNC(=O)c1c([O-])cccc1F ZINC000131819984 636755767 /nfs/dbraw/zinc/75/57/67/636755767.db2.gz IDOLOFFEHUPLOJ-UHFFFAOYSA-N -1 1 285.384 3.185 20 0 CGADMM CC[C@@H](C)CON=c1cc(Cl)[n-]c([C@H]2CCCO2)n1 ZINC000884513760 637053018 /nfs/dbraw/zinc/05/30/18/637053018.db2.gz QWTFMEFARJDJID-NXEZZACHSA-N -1 1 285.775 3.371 20 0 CGADMM CCCc1[n-]n([C@H]2CC(C)(C)OC2(C)C)c(=O)c1CC ZINC000887296946 637791790 /nfs/dbraw/zinc/79/17/90/637791790.db2.gz OMUUXBMPBNYQJU-YPMHNXCESA-N -1 1 280.412 3.357 20 0 CGADMM CC1(C)C[C@@H](n2[n-]c3c(c2=O)CCC(C)(C)C3)C(C)(C)O1 ZINC000887297129 637792112 /nfs/dbraw/zinc/79/21/12/637792112.db2.gz UTJGUXMWJSAESE-WCQYABFASA-N -1 1 292.423 3.357 20 0 CGADMM CCCCCc1nnc([N-]C(=O)c2cc(CC)on2)s1 ZINC000887656557 637881997 /nfs/dbraw/zinc/88/19/97/637881997.db2.gz WKDFNANMYARIJC-UHFFFAOYSA-N -1 1 294.380 3.074 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@@H]1C1CCCC1 ZINC000889412162 638025986 /nfs/dbraw/zinc/02/59/86/638025986.db2.gz NDOCMCPCXMCHHI-OAHLLOKOSA-N -1 1 296.370 3.345 20 0 CGADMM C[C@H]1C[C@H](C(=O)Nc2cc(F)c([O-])cc2Cl)CCC1=O ZINC000885675832 638036416 /nfs/dbraw/zinc/03/64/16/638036416.db2.gz CCFCKMRVZXTJJK-JGVFFNPUSA-N -1 1 299.729 3.129 20 0 CGADMM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678359 638047906 /nfs/dbraw/zinc/04/79/06/638047906.db2.gz NQGHTFBGXWRWFR-HTQZYQBOSA-N -1 1 299.729 3.129 20 0 CGADMM O=C([N-]Oc1ccccc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000854539206 638069944 /nfs/dbraw/zinc/06/99/44/638069944.db2.gz XLSAMIYCHBZHEX-MNOVXSKESA-N -1 1 287.281 3.465 20 0 CGADMM CC(C)Cc1nsc([N-]C(=O)c2ncoc2C(C)C)n1 ZINC000857316924 638494106 /nfs/dbraw/zinc/49/41/06/638494106.db2.gz NEQPHEGRBGATOS-UHFFFAOYSA-N -1 1 294.380 3.100 20 0 CGADMM O=c1nc(NC[C@H]2CCCC(F)(F)C2)cc(Cl)[n-]1 ZINC000858530089 638756871 /nfs/dbraw/zinc/75/68/71/638756871.db2.gz UWZOABASZAWMDQ-ZETCQYMHSA-N -1 1 277.702 3.073 20 0 CGADMM C[C@@H](Nc1cc(Cl)[n-]c(=O)n1)C1CCC(F)(F)CC1 ZINC000858615465 639003126 /nfs/dbraw/zinc/00/31/26/639003126.db2.gz JUILOTPLAFARIO-SSDOTTSWSA-N -1 1 291.729 3.462 20 0 CGADMM COc1ccc2nc(-c3c(F)ccc(F)c3[O-])[nH]c2c1 ZINC001250802789 805779379 /nfs/dbraw/zinc/77/93/79/805779379.db2.gz MOIZIOOCEISIEP-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM Cc1cc(F)cc2[nH]c(-c3cc(C(=O)[O-])ccc3O)nc21 ZINC001251023542 805831703 /nfs/dbraw/zinc/83/17/03/805831703.db2.gz MTRFALDGONMEBW-UHFFFAOYSA-N -1 1 286.262 3.081 20 0 CGADMM Cn1c2ccccc2nc1-c1cc(Cl)c([O-])cc1O ZINC001251083357 805844375 /nfs/dbraw/zinc/84/43/75/805844375.db2.gz SXXAKQGKFHPOMV-UHFFFAOYSA-N -1 1 274.707 3.305 20 0 CGADMM Cc1c2nc(-c3cc(Cl)ncc3[O-])[nH]c2ccc1F ZINC001251252308 805872374 /nfs/dbraw/zinc/87/23/74/805872374.db2.gz SOCYTIXPKRBHKP-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM COc1ccc2nc(-c3c([O-])ccc(F)c3F)n(C)c2c1 ZINC001251321717 805881479 /nfs/dbraw/zinc/88/14/79/805881479.db2.gz BCLYBAFTXVUAPZ-UHFFFAOYSA-N -1 1 290.269 3.233 20 0 CGADMM Cn1c2ccc(F)cc2nc1-c1c([O-])ccc(F)c1F ZINC001251319172 805881981 /nfs/dbraw/zinc/88/19/81/805881981.db2.gz QZFKNWKPSNVFST-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM CC[C@@H]1CCC[C@H]1CNC(=O)c1cccc([O-])c1F ZINC001158376549 805947703 /nfs/dbraw/zinc/94/77/03/805947703.db2.gz OVKQRVIATDGCTC-MNOVXSKESA-N -1 1 265.328 3.087 20 0 CGADMM CN(C)c1ccc(-c2nnc(-c3ccc([O-])cc3F)o2)cc1 ZINC001252358031 806040775 /nfs/dbraw/zinc/04/07/75/806040775.db2.gz LRRYPDKBEMGWPH-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM CC(C)S(=O)(=O)[N-]c1cc(-c2cccc(F)c2)ccn1 ZINC001252421908 806047271 /nfs/dbraw/zinc/04/72/71/806047271.db2.gz ZCUBIHMSVBMUPF-UHFFFAOYSA-N -1 1 294.351 3.038 20 0 CGADMM COc1cccc(-c2nnc(-c3ccc(F)c([O-])c3)o2)c1 ZINC001253341988 806206574 /nfs/dbraw/zinc/20/65/74/806206574.db2.gz BVMREAQCKLXDQP-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM [O-]c1c2ccccc2cc(O)c1-c1nnc(C2CC2)o1 ZINC001254058550 806335297 /nfs/dbraw/zinc/33/52/97/806335297.db2.gz AMWKFZWAJHTCQJ-UHFFFAOYSA-N -1 1 268.272 3.178 20 0 CGADMM [O-]c1nc(-c2ccccc2)sc1Cc1nnc(C2CC2)o1 ZINC001254064108 806336476 /nfs/dbraw/zinc/33/64/76/806336476.db2.gz JVJFKKZWGRXXEJ-UHFFFAOYSA-N -1 1 299.355 3.367 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccc(F)c(F)c1 ZINC001162292525 806549809 /nfs/dbraw/zinc/54/98/09/806549809.db2.gz UPOAYOVPRAUMRT-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM O=C(Nc1n[nH]cc1C1CC1)c1cc2ccccc2cc1[O-] ZINC001163131577 806704586 /nfs/dbraw/zinc/70/45/86/806704586.db2.gz IOUVURIJGYEESJ-UHFFFAOYSA-N -1 1 293.326 3.398 20 0 CGADMM CC(C)(C)O[N-]C(=O)Cc1c(Cl)cccc1Cl ZINC000134232435 799035928 /nfs/dbraw/zinc/03/59/28/799035928.db2.gz URNXAJFZNBBGEM-UHFFFAOYSA-N -1 1 276.163 3.382 20 0 CGADMM Cc1cc(C)cc(CCNC(=O)c2ccc([O-])cc2F)c1 ZINC000163970705 799083322 /nfs/dbraw/zinc/08/33/22/799083322.db2.gz OMVZHUWOLVOUME-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM Cc1ccc(Cl)cc1CNC(=O)c1ccc([O-])cc1F ZINC000190160099 799122900 /nfs/dbraw/zinc/12/29/00/799122900.db2.gz XXOUNIFAZQOMML-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM COc1ccc([C@H](C)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000234970470 799144562 /nfs/dbraw/zinc/14/45/62/799144562.db2.gz LXYVUXOJHPPRPY-JTQLQIEISA-N -1 1 289.331 3.146 20 0 CGADMM CC(C)(C)OCCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000350611867 799315790 /nfs/dbraw/zinc/31/57/90/799315790.db2.gz OUZRQCUZQYUPFB-UHFFFAOYSA-N -1 1 294.326 3.329 20 0 CGADMM [O-]c1ccc(F)cc1-c1nnc(Cc2ccccc2F)o1 ZINC001255860067 806772733 /nfs/dbraw/zinc/77/27/33/806772733.db2.gz FDVQNOQITABKLW-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM Cc1[n-]n(-c2cc(C(F)(F)F)ccn2)c(=O)c1C(C)C ZINC000692685602 799797147 /nfs/dbraw/zinc/79/71/47/799797147.db2.gz ORZJXVOJDJEQLM-NSHDSACASA-N -1 1 285.269 3.095 20 0 CGADMM C[C@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000822413201 800461838 /nfs/dbraw/zinc/46/18/38/800461838.db2.gz VDMRXOACKMSYDF-NSHDSACASA-N -1 1 285.343 3.123 20 0 CGADMM Cc1cc(NC(=O)c2cncc([O-])c2)ccc1Cl ZINC001163916346 806850768 /nfs/dbraw/zinc/85/07/68/806850768.db2.gz RRJGXZAJWMFRAL-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM Cc1ccc(-n2[n-]c3c(c2=O)[C@H](C)CC3)cc1Cl ZINC001119065194 802631097 /nfs/dbraw/zinc/63/10/97/802631097.db2.gz FHNMLMDNFQXADD-NOZJJQNGSA-N -1 1 262.740 3.397 20 0 CGADMM [O-]c1cccc(Cl)c1-c1cc(-c2nnco2)ccn1 ZINC001244035231 803152702 /nfs/dbraw/zinc/15/27/02/803152702.db2.gz CRSOBSLMTNWAHS-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM COc1ccc(-c2c([O-])cccc2Cl)nc1OC ZINC001244037366 803154451 /nfs/dbraw/zinc/15/44/51/803154451.db2.gz ULFPTGURVUJTHL-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM COc1ccc(-c2c([O-])cccc2Cl)nc1F ZINC001244048064 803160270 /nfs/dbraw/zinc/16/02/70/803160270.db2.gz MYKFHXVBWHMADF-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM O=C1Nc2cc(-c3cc(F)c([O-])c(F)c3)ccc2C12CC2 ZINC001244094959 803182590 /nfs/dbraw/zinc/18/25/90/803182590.db2.gz DXEIHQPDLIEAED-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM O=C1OCc2cc(-c3cc(F)c([O-])c(F)c3)cc(F)c21 ZINC001244098750 803186758 /nfs/dbraw/zinc/18/67/58/803186758.db2.gz QLUOGZXBRAXCKV-UHFFFAOYSA-N -1 1 280.201 3.147 20 0 CGADMM CCC(CC)(CC)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129758098 803254083 /nfs/dbraw/zinc/25/40/83/803254083.db2.gz PXBFNHDNIZUBKK-UHFFFAOYSA-N -1 1 291.395 3.216 20 0 CGADMM Cc1cnnc(-c2cc(OC(F)(F)F)ccc2[O-])c1 ZINC001244456517 803378189 /nfs/dbraw/zinc/37/81/89/803378189.db2.gz UAGSRBBTIAENMP-UHFFFAOYSA-N -1 1 270.210 3.056 20 0 CGADMM Cc1cncc(-c2cc(OC(F)(F)F)ccc2[O-])n1 ZINC001244456423 803378759 /nfs/dbraw/zinc/37/87/59/803378759.db2.gz ROAIZEONGYXGBU-UHFFFAOYSA-N -1 1 270.210 3.056 20 0 CGADMM O=c1cnc(-c2ccc(Cl)cc2[O-])cn1CC1CCC1 ZINC001244473678 803388986 /nfs/dbraw/zinc/38/89/86/803388986.db2.gz WMZBVPAHNHGYGM-UHFFFAOYSA-N -1 1 290.750 3.069 20 0 CGADMM COC(=O)c1cccc(-c2cc(C)c([O-])c(Cl)c2)n1 ZINC001244531169 803422077 /nfs/dbraw/zinc/42/20/77/803422077.db2.gz VYHLIXCNRZRXKD-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncc3c(n2)CCC3)c1F ZINC001244537355 803425841 /nfs/dbraw/zinc/42/58/41/803425841.db2.gz CRUCJGALCTXXKI-UHFFFAOYSA-N -1 1 264.687 3.130 20 0 CGADMM COc1ccc(-c2c(Cl)ccc([O-])c2F)c(OC)n1 ZINC001244540579 803427754 /nfs/dbraw/zinc/42/77/54/803427754.db2.gz ZOXARYMVDJFZIQ-UHFFFAOYSA-N -1 1 283.686 3.264 20 0 CGADMM COC(=O)c1ncc(-c2c(Cl)ccc([O-])c2F)cc1C ZINC001244539925 803427995 /nfs/dbraw/zinc/42/79/95/803427995.db2.gz NRMNBTCNKCFGRK-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COc1ccc(-c2c(Cl)ccc([O-])c2F)c(F)n1 ZINC001244540995 803428154 /nfs/dbraw/zinc/42/81/54/803428154.db2.gz LGKPHNQRDJDDIO-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cnc3ncoc3c2)c1F ZINC001244540636 803428546 /nfs/dbraw/zinc/42/85/46/803428546.db2.gz DYHMSGPKIFJWBI-UHFFFAOYSA-N -1 1 264.643 3.388 20 0 CGADMM COc1cc(-c2c(Cl)ccc([O-])c2F)c(OC)cn1 ZINC001244540307 803428634 /nfs/dbraw/zinc/42/86/34/803428634.db2.gz DDEXUICKTNONCQ-UHFFFAOYSA-N -1 1 283.686 3.264 20 0 CGADMM COC(=O)c1ncc(F)cc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244550580 803433643 /nfs/dbraw/zinc/43/36/43/803433643.db2.gz FYXCRCFXHIHCBW-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC001135487005 803599378 /nfs/dbraw/zinc/59/93/78/803599378.db2.gz NMZDYKAGMIRMOE-SLEUVZQESA-N -1 1 289.375 3.068 20 0 CGADMM COc1ccc(-c2cc(Cl)ccc2[O-])nc1OC ZINC001245048868 803621340 /nfs/dbraw/zinc/62/13/40/803621340.db2.gz NPPXELFCRNABBC-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM Cc1cc(C)c(CNC(=O)c2cc(F)ccc2[O-])c(C)c1 ZINC001136181826 803635195 /nfs/dbraw/zinc/63/51/95/803635195.db2.gz ZTTPFRMSLFYJDZ-UHFFFAOYSA-N -1 1 287.334 3.387 20 0 CGADMM Cc1cccc(C2=CCN(C(=O)c3ccc([O-])cn3)CC2)c1 ZINC001137840896 803779451 /nfs/dbraw/zinc/77/94/51/803779451.db2.gz JHYNEMQDDJSZII-UHFFFAOYSA-N -1 1 294.354 3.025 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc(O)c(F)c1F ZINC001212005536 814965522 /nfs/dbraw/zinc/96/55/22/814965522.db2.gz MQBIOSIUVPNPTA-UHFFFAOYSA-N -1 1 272.638 3.168 20 0 CGADMM CC(=O)Oc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001212079804 814973448 /nfs/dbraw/zinc/97/34/48/814973448.db2.gz RYXBXFRPIDJDKD-UHFFFAOYSA-N -1 1 279.242 3.339 20 0 CGADMM O=c1c(-c2c([O-])cccc2F)cccn1-c1ccc(F)cc1 ZINC001245654995 803886255 /nfs/dbraw/zinc/88/62/55/803886255.db2.gz NTNWJLIKAFUJTL-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM Oc1cccnc1C[N@@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001138395152 803914136 /nfs/dbraw/zinc/91/41/36/803914136.db2.gz UXEJSWLGLDNLCL-OAHLLOKOSA-N -1 1 290.313 3.403 20 0 CGADMM Cc1cnc(C)c(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245827225 803983374 /nfs/dbraw/zinc/98/33/74/803983374.db2.gz NDBQSOCXZMWEEK-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM CNc1ccc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245831432 803986144 /nfs/dbraw/zinc/98/61/44/803986144.db2.gz LFEARYBHHDUTFU-UHFFFAOYSA-N -1 1 252.676 3.288 20 0 CGADMM Cc1nnc2ccc(-c3c(F)ccc([O-])c3Cl)cn12 ZINC001245831445 803986346 /nfs/dbraw/zinc/98/63/46/803986346.db2.gz KWMVJFCIPMAWIZ-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM CN1C(=O)Cc2cc(-c3c(F)ccc([O-])c3Cl)ccc21 ZINC001245832609 803987783 /nfs/dbraw/zinc/98/77/83/803987783.db2.gz LRGDVUCJVQZHIE-UHFFFAOYSA-N -1 1 291.709 3.371 20 0 CGADMM CCn1cc(-c2c(F)ccc([O-])c2Cl)ccc1=O ZINC001245833090 803988488 /nfs/dbraw/zinc/98/84/88/803988488.db2.gz YQHDJNUCNXSZCK-UHFFFAOYSA-N -1 1 267.687 3.033 20 0 CGADMM COc1ccc(-n2[n-]c(CC(C)(C)C)cc2=O)c(C)c1 ZINC001245933822 804062450 /nfs/dbraw/zinc/06/24/50/804062450.db2.gz ZISMKZQDIKRRKU-UHFFFAOYSA-N -1 1 274.364 3.484 20 0 CGADMM CC(C)Cc1cc(=O)n(-c2ccc3cccnc3c2)[n-]1 ZINC001245932705 804063130 /nfs/dbraw/zinc/06/31/30/804063130.db2.gz MOHRJZOBLVNGDU-UHFFFAOYSA-N -1 1 267.332 3.325 20 0 CGADMM Cc1ncccc1CN(C)Cc1ccc([O-])c(F)c1F ZINC001140892633 804541596 /nfs/dbraw/zinc/54/15/96/804541596.db2.gz UYJIIVXTYSJMLI-UHFFFAOYSA-N -1 1 278.302 3.006 20 0 CGADMM [O-]c1ccc(CN2CCC[C@H](F)C(F)(F)C2)c(F)c1F ZINC001140889933 804542247 /nfs/dbraw/zinc/54/22/47/804542247.db2.gz QPKQCIOJGWKFCJ-JTQLQIEISA-N -1 1 295.251 3.240 20 0 CGADMM CCc1ccccc1NC(=O)c1cccc([O-])c1F ZINC001141336197 804632580 /nfs/dbraw/zinc/63/25/80/804632580.db2.gz DNYICVMPHJTVJF-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ccc(C)cn2)c1 ZINC001141504036 804648778 /nfs/dbraw/zinc/64/87/78/804648778.db2.gz KURXJSVHLSFGFZ-UHFFFAOYSA-N -1 1 274.345 3.070 20 0 CGADMM C[C@H](c1ccco1)N(C(=O)c1cccc([O-])c1F)C1CC1 ZINC001142289485 804713472 /nfs/dbraw/zinc/71/34/72/804713472.db2.gz FAVKVLUMRYSFIF-SNVBAGLBSA-N -1 1 289.306 3.490 20 0 CGADMM O=C1CCN(Cc2c(F)cc([O-])cc2F)[C@H]2CCCC[C@H]12 ZINC001144541673 805000097 /nfs/dbraw/zinc/00/00/97/805000097.db2.gz JNSZZLYYAXQSKV-NHYWBVRUSA-N -1 1 295.329 3.004 20 0 CGADMM CN(Cc1ccsc1)Cc1c(F)cc([O-])cc1F ZINC001144554806 805003838 /nfs/dbraw/zinc/00/38/38/805003838.db2.gz IGSHOAUIXSJHCA-UHFFFAOYSA-N -1 1 269.316 3.364 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@H]2c2ccccn2)c(F)c1 ZINC001144555032 805004140 /nfs/dbraw/zinc/00/41/40/805004140.db2.gz RKORRAOSNGBJEU-MRXNPFEDSA-N -1 1 290.313 3.403 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CCC=CCCC1 ZINC001146551817 805073455 /nfs/dbraw/zinc/07/34/55/805073455.db2.gz QAOFECNSWAZUNC-GFCCVEGCSA-N -1 1 263.312 3.372 20 0 CGADMM Cc1ccsc1C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147107173 805109987 /nfs/dbraw/zinc/10/99/87/805109987.db2.gz KOFUNCZMDPJUMO-UHFFFAOYSA-N -1 1 299.355 3.200 20 0 CGADMM O=C(c1cc2cccc(O)c2cc1[O-])N1CCC12CCCC2 ZINC001149649382 805240418 /nfs/dbraw/zinc/24/04/18/805240418.db2.gz BERYZJWJQHRLNT-UHFFFAOYSA-N -1 1 297.354 3.410 20 0 CGADMM CC(C)[C@H](NC(=O)c1cccc([O-])c1F)c1ccccn1 ZINC001149743555 805242419 /nfs/dbraw/zinc/24/24/19/805242419.db2.gz ABBKMNHIPWTYSK-HNNXBMFYSA-N -1 1 288.322 3.053 20 0 CGADMM [O-]c1cc(Nc2cnc3c(c2)NCCO3)c(F)cc1Cl ZINC001249807691 805255250 /nfs/dbraw/zinc/25/52/50/805255250.db2.gz SBVLQTMFVOAZFE-UHFFFAOYSA-N -1 1 295.701 3.128 20 0 CGADMM O=C(NCc1ccc2cccnc2c1)c1ccc(F)c([O-])c1 ZINC001151419026 805288324 /nfs/dbraw/zinc/28/83/24/805288324.db2.gz CDLHKJHBRGNOCI-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM COc1ccc(C(=O)Cc2cc(F)cc(F)c2[O-])cc1 ZINC001249903695 805292975 /nfs/dbraw/zinc/29/29/75/805292975.db2.gz BVUMBYBRNIXOTL-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM COc1ccc(C(=O)Cc2ccc([O-])c(F)c2F)cc1 ZINC001249904235 805294493 /nfs/dbraw/zinc/29/44/93/805294493.db2.gz QRLQWFAUNCVSAD-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM O=C(Cc1cc(F)ccc1O)Nc1ccc([O-])c(Cl)c1 ZINC001151583320 805299562 /nfs/dbraw/zinc/29/95/62/805299562.db2.gz XILDRAQBHGGENO-UHFFFAOYSA-N -1 1 295.697 3.072 20 0 CGADMM Cc1cccc(O[C@H](C)C(=O)Nc2cccc(F)c2[O-])c1 ZINC001151771157 805309804 /nfs/dbraw/zinc/30/98/04/805309804.db2.gz BRMCHQFEDAHTKQ-LLVKDONJSA-N -1 1 289.306 3.246 20 0 CGADMM CCc1cc(Nc2cc([O-])c(F)c(F)c2F)on1 ZINC001249960502 805326442 /nfs/dbraw/zinc/32/64/42/805326442.db2.gz KYOHGMCDUBZPGB-UHFFFAOYSA-N -1 1 258.199 3.104 20 0 CGADMM [O-]c1cc(Nc2cnccc2F)c(F)c(F)c1F ZINC001249961250 805329376 /nfs/dbraw/zinc/32/93/76/805329376.db2.gz MWLQNPNXIINYHT-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM [O-]c1cc(Nc2ccc(O)cc2)c(F)c(F)c1F ZINC001249963472 805331674 /nfs/dbraw/zinc/33/16/74/805331674.db2.gz XVWHLEBRLMZRLW-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM Nc1cccc2c1CCN2c1cc([O-])c(F)c(F)c1F ZINC001249967102 805332211 /nfs/dbraw/zinc/33/22/11/805332211.db2.gz PVGMZRMRSPAEJI-UHFFFAOYSA-N -1 1 280.249 3.086 20 0 CGADMM Cc1ccnc(F)c1Nc1cc([O-])c(F)c(F)c1 ZINC001212559228 815068940 /nfs/dbraw/zinc/06/89/40/815068940.db2.gz CIXZVFKJTGSQMW-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM COC(=O)c1cncc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250020294 805372752 /nfs/dbraw/zinc/37/27/52/805372752.db2.gz JCCDFBTURWBPJF-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM COc1cc(CO)cc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250025754 805376903 /nfs/dbraw/zinc/37/69/03/805376903.db2.gz JIJITFVCAINBTD-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM O=C(Nc1ccc(Cl)nn1)c1c([O-])ccc2ccccc21 ZINC001153497989 805400175 /nfs/dbraw/zinc/40/01/75/805400175.db2.gz MRYQKBYUISYNCI-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)Cc2ccccc21 ZINC001153609426 805407136 /nfs/dbraw/zinc/40/71/36/805407136.db2.gz KRLLZHONTUYXSS-UHFFFAOYSA-N -1 1 299.345 3.465 20 0 CGADMM Cc1ccc2ncc([O-])c(C(=O)Nc3ccccc3O)c2c1 ZINC001154531261 805462319 /nfs/dbraw/zinc/46/23/19/805462319.db2.gz CPILFSYWRSYMTR-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM Cc1cc(N)c2ccnc-2n1-c1c(F)ccc([O-])c1Cl ZINC001250229297 805505239 /nfs/dbraw/zinc/50/52/39/805505239.db2.gz FNDLLBRSDIWMTE-UHFFFAOYSA-N -1 1 291.713 3.366 20 0 CGADMM CSc1cc(Nc2c(F)ccc([O-])c2Cl)n(C)n1 ZINC001250229744 805506277 /nfs/dbraw/zinc/50/62/77/805506277.db2.gz NBANBBLADWYUEF-UHFFFAOYSA-N -1 1 287.747 3.384 20 0 CGADMM COc1ccc(C)c([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC001256855207 806992667 /nfs/dbraw/zinc/99/26/67/806992667.db2.gz IMOFAXPSPMGNKN-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)C1CC(=O)C1 ZINC001167445451 807194597 /nfs/dbraw/zinc/19/45/97/807194597.db2.gz XWQJAUQQAWZTDN-UHFFFAOYSA-N -1 1 289.718 3.116 20 0 CGADMM COc1cccc([O-])c1-c1nnc(CCC(C)C)o1 ZINC001258271084 807388246 /nfs/dbraw/zinc/38/82/46/807388246.db2.gz YBHMCHTUCDKJEZ-UHFFFAOYSA-N -1 1 262.309 3.039 20 0 CGADMM CCCOc1ccc(-c2noc(-c3ccncc3[O-])n2)cc1 ZINC001212722754 815114906 /nfs/dbraw/zinc/11/49/06/815114906.db2.gz ZZULEKIDFBEIPM-UHFFFAOYSA-N -1 1 297.314 3.293 20 0 CGADMM COc1cccc([O-])c1-c1nnc(Cc2ccccc2C)o1 ZINC001258381987 807434014 /nfs/dbraw/zinc/43/40/14/807434014.db2.gz USMPXFVOONDCJO-UHFFFAOYSA-N -1 1 296.326 3.350 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cc(F)cc(CO)c1 ZINC001212746608 815123590 /nfs/dbraw/zinc/12/35/90/815123590.db2.gz LAFSTPTVHVGLRK-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cc(F)cc(CO)c1 ZINC001212749737 815125698 /nfs/dbraw/zinc/12/56/98/815125698.db2.gz UXTDPSMVBGPVNT-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM [O-]c1cccc(-c2nnc(CC3CCCC3)o2)c1F ZINC001258690623 807547266 /nfs/dbraw/zinc/54/72/66/807547266.db2.gz BVQVYUZXQUMLAU-UHFFFAOYSA-N -1 1 262.284 3.314 20 0 CGADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cccc(O)c2C)c1 ZINC001259524470 807681261 /nfs/dbraw/zinc/68/12/61/807681261.db2.gz TWNTYWYALANPEA-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM O=S(=O)([N-]c1cc2ccccc2cn1)C1CCCCC1 ZINC001259809341 807687988 /nfs/dbraw/zinc/68/79/88/807687988.db2.gz XMOBDALCSJKWSS-UHFFFAOYSA-N -1 1 290.388 3.309 20 0 CGADMM CC(C)CS(=O)(=O)Nc1ccc(Cl)c(Cl)c1[O-] ZINC001259886738 807692249 /nfs/dbraw/zinc/69/22/49/807692249.db2.gz TXMYGILWCGXGMB-UHFFFAOYSA-N -1 1 298.191 3.097 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC001260743532 807704353 /nfs/dbraw/zinc/70/43/53/807704353.db2.gz PBSOBTGKUAZJIQ-JTQLQIEISA-N -1 1 289.372 3.153 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(O)c2C)c1C ZINC001260999050 807709502 /nfs/dbraw/zinc/70/95/02/807709502.db2.gz MRJVGGUCBQZHGU-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM CCOc1ncc([N-]c2nnc(C(C)(C)C)o2)cc1F ZINC001212828029 815148067 /nfs/dbraw/zinc/14/80/67/815148067.db2.gz AHUCDLXNJHDDHX-UHFFFAOYSA-N -1 1 280.303 3.044 20 0 CGADMM O=c1nc2nc[nH]c2c(Nc2ccc(F)c3ccccc23)[n-]1 ZINC001170234741 807798199 /nfs/dbraw/zinc/79/81/99/807798199.db2.gz YOCJERPVGYPELU-UHFFFAOYSA-N -1 1 295.277 3.094 20 0 CGADMM CCCC[C@H](C)N(CCCC)C(=O)c1cnncc1[O-] ZINC001262626258 807880506 /nfs/dbraw/zinc/88/05/06/807880506.db2.gz JNTBPRZXXGTPIB-LBPRGKRZSA-N -1 1 279.384 3.003 20 0 CGADMM O=C(NCC[C@@H]1CC=CCC1)c1cccc([O-])c1F ZINC001171556890 808095303 /nfs/dbraw/zinc/09/53/03/808095303.db2.gz JHAZXTZOMGOFAU-LLVKDONJSA-N -1 1 263.312 3.008 20 0 CGADMM Cn1c(C(=O)Nc2cccc(F)c2[O-])cc2ccccc21 ZINC001171632500 808110124 /nfs/dbraw/zinc/11/01/24/808110124.db2.gz CZWRYUDMAOOCHU-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM Fc1cc([N-]c2nonc2C2CC2)cc(C(F)(F)F)n1 ZINC001213008014 815197807 /nfs/dbraw/zinc/19/78/07/815197807.db2.gz OLYBQSZGYQAYTB-UHFFFAOYSA-N -1 1 288.204 3.244 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cc(F)nc(F)c1 ZINC001213080980 815226761 /nfs/dbraw/zinc/22/67/61/815226761.db2.gz KZGRIMRGLSLCFS-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM [O-]c1cc(Nc2cc(F)nc(F)c2)cc(F)c1F ZINC001213082379 815227137 /nfs/dbraw/zinc/22/71/37/815227137.db2.gz JWKJKWOARVKHSY-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM CC(=O)Nc1ccccc1Nc1cc([O-])c(F)c(F)c1 ZINC001173996545 808810928 /nfs/dbraw/zinc/81/09/28/808810928.db2.gz YJBKSZYFMGFRDF-UHFFFAOYSA-N -1 1 278.258 3.372 20 0 CGADMM CN(C)C(=O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001174007777 808818196 /nfs/dbraw/zinc/81/81/96/808818196.db2.gz WJNYXLKEFCXBCK-UHFFFAOYSA-N -1 1 292.285 3.116 20 0 CGADMM CC(C)c1ccccc1-n1[n-]c(=O)c2cc(N)ccc21 ZINC001174047137 808844353 /nfs/dbraw/zinc/84/43/53/808844353.db2.gz RDUFZJQJDQBJIB-UHFFFAOYSA-N -1 1 267.332 3.437 20 0 CGADMM COCc1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001174094528 808861173 /nfs/dbraw/zinc/86/11/73/808861173.db2.gz QEAOHFRULBEQMU-UHFFFAOYSA-N -1 1 264.712 3.331 20 0 CGADMM COc1ccc([N-]c2nnc(C(C)C)o2)c(F)c1 ZINC001174143287 808887931 /nfs/dbraw/zinc/88/79/31/808887931.db2.gz XLBYRWWDQKNBSI-UHFFFAOYSA-N -1 1 251.261 3.084 20 0 CGADMM Cn1cnc2ccc(Nc3ccc(F)c(F)c3[O-])cc21 ZINC001174350197 808972107 /nfs/dbraw/zinc/97/21/07/808972107.db2.gz RRPXWZRYOWEQOH-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM Cc1n[nH]cc1Nc1ccc(F)c(Br)c1[O-] ZINC001174474929 809030222 /nfs/dbraw/zinc/03/02/22/809030222.db2.gz HVUWRWDZMZLNAA-UHFFFAOYSA-N -1 1 286.104 3.069 20 0 CGADMM CSc1nc(Nc2cccc(F)c2C)cc(=O)[n-]1 ZINC001174665007 809124165 /nfs/dbraw/zinc/12/41/65/809124165.db2.gz KULICXPPORMFDI-UHFFFAOYSA-N -1 1 265.313 3.095 20 0 CGADMM CCO[C@@H](C)n1cc(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001174699147 809136112 /nfs/dbraw/zinc/13/61/12/809136112.db2.gz GJADNFDRODUWSQ-QMMMGPOBSA-N -1 1 283.278 3.166 20 0 CGADMM COc1ccnc(-c2nc(-c3ccc(C)cc3C)no2)c1[O-] ZINC001213324897 815265365 /nfs/dbraw/zinc/26/53/65/815265365.db2.gz YPURRYCJHNKSAX-UHFFFAOYSA-N -1 1 297.314 3.130 20 0 CGADMM FC(F)(F)c1cncc([N-]c2nonc2C2CC2)c1 ZINC001174740950 809148666 /nfs/dbraw/zinc/14/86/66/809148666.db2.gz DHACNXPCJCGELX-UHFFFAOYSA-N -1 1 270.214 3.104 20 0 CGADMM Cc1cc(Nc2c(Cl)ccc([O-])c2Cl)n(C)n1 ZINC001174824904 809172971 /nfs/dbraw/zinc/17/29/71/809172971.db2.gz XNZILBMPPDHMLN-UHFFFAOYSA-N -1 1 272.135 3.485 20 0 CGADMM [O-]c1c(Nc2ccc3c(c2)OCO3)ccc(F)c1F ZINC001174868446 809184374 /nfs/dbraw/zinc/18/43/74/809184374.db2.gz SJSGXKAMCYBFPA-UHFFFAOYSA-N -1 1 265.215 3.143 20 0 CGADMM CCOc1cc(F)cc(Nc2cc(=O)[n-]c(SC)n2)c1 ZINC001175003047 809235129 /nfs/dbraw/zinc/23/51/29/809235129.db2.gz COMRPQWKEJKDSK-UHFFFAOYSA-N -1 1 295.339 3.186 20 0 CGADMM CCOc1ccc(N)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213384414 815274141 /nfs/dbraw/zinc/27/41/41/815274141.db2.gz LKIQSFBXDWNYQM-UHFFFAOYSA-N -1 1 280.274 3.395 20 0 CGADMM Cc1nnc([N-]c2cc(F)cc(OC(C)C)c2)o1 ZINC001175138915 809286035 /nfs/dbraw/zinc/28/60/35/809286035.db2.gz BLNMLRAOABYJIA-UHFFFAOYSA-N -1 1 251.261 3.048 20 0 CGADMM CCc1cccc(Nc2cc(S(C)(=O)=O)ccc2[O-])c1 ZINC001175555228 809449203 /nfs/dbraw/zinc/44/92/03/809449203.db2.gz SVEFNBDKOXFFQI-UHFFFAOYSA-N -1 1 291.372 3.102 20 0 CGADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc([O-])c1F ZINC001293874003 809455926 /nfs/dbraw/zinc/45/59/26/809455926.db2.gz JSHSWHMMGKWSRP-MDZLAQPJSA-N -1 1 277.339 3.325 20 0 CGADMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1c([O-])cccc1F ZINC001294139759 809461879 /nfs/dbraw/zinc/46/18/79/809461879.db2.gz PUSUJOQDTZKGGS-YPMHNXCESA-N -1 1 277.339 3.230 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ccc(O)cc2C)c1 ZINC001295289674 809484938 /nfs/dbraw/zinc/48/49/38/809484938.db2.gz GLBLNCZYWXFXAI-UHFFFAOYSA-N -1 1 289.356 3.380 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)c2ccc(F)c(C)c2)c([O-])c1 ZINC001298686182 809537161 /nfs/dbraw/zinc/53/71/61/809537161.db2.gz INFSTPCMNMZBBW-LLVKDONJSA-N -1 1 288.322 3.034 20 0 CGADMM CC[C@H](C)CCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001300498765 809569188 /nfs/dbraw/zinc/56/91/88/809569188.db2.gz VRWGCNJODYMJJU-NSHDSACASA-N -1 1 287.359 3.417 20 0 CGADMM C[C@H]1CC(CNC(=O)c2ccc(F)c([O-])c2)C[C@H](C)C1 ZINC001300539611 809570533 /nfs/dbraw/zinc/57/05/33/809570533.db2.gz BBZRZXSXFUMJDU-GHMZBOCLSA-N -1 1 279.355 3.333 20 0 CGADMM CC(C)(C)C(F)(F)CNC(=O)c1ccc(Cl)cc1[O-] ZINC001301325510 809582829 /nfs/dbraw/zinc/58/28/29/809582829.db2.gz YUQNZAAYXDDRDJ-UHFFFAOYSA-N -1 1 291.725 3.457 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc3c2OCC3)cc1F ZINC001176078146 809617153 /nfs/dbraw/zinc/61/71/53/809617153.db2.gz DRAOGYSNFZTGPW-UHFFFAOYSA-N -1 1 263.243 3.349 20 0 CGADMM CN(C)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cn1 ZINC001176662785 809737454 /nfs/dbraw/zinc/73/74/54/809737454.db2.gz XIKSJWNAJGUZNG-UHFFFAOYSA-N -1 1 283.253 3.014 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cc3ccccn3n2)c1F ZINC001176670224 809739366 /nfs/dbraw/zinc/73/93/66/809739366.db2.gz VCQZOTCNYDCVCT-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM Nc1cc(F)cc2c1ccn2-c1c(F)cc(F)c([O-])c1F ZINC001176670802 809739386 /nfs/dbraw/zinc/73/93/86/809739386.db2.gz LHXFYGUNUVOYDB-UHFFFAOYSA-N -1 1 296.223 3.475 20 0 CGADMM CC(C)(NC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1 ZINC001177948908 809834729 /nfs/dbraw/zinc/83/47/29/809834729.db2.gz PABSXDSRHBNWIG-UHFFFAOYSA-N -1 1 291.297 3.336 20 0 CGADMM Cc1cc2cc(-n3[n-]c(=O)c4ccc(N)cc43)ccc2[nH]1 ZINC001213795650 815332800 /nfs/dbraw/zinc/33/28/00/815332800.db2.gz MLBLYRRUBGHNOZ-UHFFFAOYSA-N -1 1 278.315 3.103 20 0 CGADMM C[C@@H](c1ccccn1)N(C)Cc1ccc([O-])c(F)c1F ZINC001180740049 810020239 /nfs/dbraw/zinc/02/02/39/810020239.db2.gz LCTBSHUXYKCDEV-JTQLQIEISA-N -1 1 278.302 3.258 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001183218826 810140901 /nfs/dbraw/zinc/14/09/01/810140901.db2.gz OFKHSMQAFSWTHT-LPEHRKFASA-N -1 1 280.755 3.205 20 0 CGADMM [O-]c1cc(F)c(Nc2cc(F)c(CO)c(F)c2)cc1F ZINC001214037219 815360247 /nfs/dbraw/zinc/36/02/47/815360247.db2.gz PICTUEJCSDQBAA-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM O=C(NCc1cncc2ccccc21)c1ccc([O-])c(F)c1 ZINC001186242622 810323451 /nfs/dbraw/zinc/32/34/51/810323451.db2.gz LQXLWAJVYRKCJU-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM C=Cc1ccc(NC(=O)c2ncc(C(F)(F)F)[n-]2)cc1 ZINC001188288187 810473998 /nfs/dbraw/zinc/47/39/98/810473998.db2.gz MWNXPUFWMAALSU-UHFFFAOYSA-N -1 1 281.237 3.324 20 0 CGADMM C=Cc1ccc(NC(=O)c2nc(C(F)(F)F)c[n-]2)cc1 ZINC001188288187 810474004 /nfs/dbraw/zinc/47/40/04/810474004.db2.gz MWNXPUFWMAALSU-UHFFFAOYSA-N -1 1 281.237 3.324 20 0 CGADMM CCCCNC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001190614938 810637211 /nfs/dbraw/zinc/63/72/11/810637211.db2.gz AYJNOUUSGLBKKW-UHFFFAOYSA-N -1 1 260.696 3.106 20 0 CGADMM CCCC1CCN(C(=O)c2cc([O-])cc(F)c2F)CC1 ZINC001192665361 810815157 /nfs/dbraw/zinc/81/51/57/810815157.db2.gz WVMJXRITTOTNDA-UHFFFAOYSA-N -1 1 283.318 3.323 20 0 CGADMM Cc1cc([N-]S(=O)(=O)CC2CCC2)nc2ccccc12 ZINC001193474172 810892672 /nfs/dbraw/zinc/89/26/72/810892672.db2.gz JMJGHEVNSUGBPG-UHFFFAOYSA-N -1 1 290.388 3.085 20 0 CGADMM CCCCCOC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001193738624 810945609 /nfs/dbraw/zinc/94/56/09/810945609.db2.gz CWVLRASXDBLGTR-UHFFFAOYSA-N -1 1 291.303 3.237 20 0 CGADMM [O-]c1c(F)cc(Nc2c(F)cncc2F)cc1Cl ZINC001214477485 815415139 /nfs/dbraw/zinc/41/51/39/815415139.db2.gz QHQSISRFWQEAEJ-UHFFFAOYSA-N -1 1 274.629 3.023 20 0 CGADMM CN(C)c1cncc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214484502 815416026 /nfs/dbraw/zinc/41/60/26/815416026.db2.gz LMAKDFPOEUXEKK-UHFFFAOYSA-N -1 1 281.718 3.389 20 0 CGADMM [O-]c1c(F)cc(Nc2ccnnc2Cl)cc1Cl ZINC001214482997 815416157 /nfs/dbraw/zinc/41/61/57/815416157.db2.gz YMBXWLNMGMGEQB-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM O=C1Cc2cc(Nc3cc(F)c([O-])c(Cl)c3)ccc2N1 ZINC001214488347 815416381 /nfs/dbraw/zinc/41/63/81/815416381.db2.gz CXXQTEILJCAIGM-UHFFFAOYSA-N -1 1 292.697 3.423 20 0 CGADMM CNC(=O)c1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001214486559 815416665 /nfs/dbraw/zinc/41/66/65/815416665.db2.gz MVDCDYXOOWDUAV-UHFFFAOYSA-N -1 1 294.713 3.288 20 0 CGADMM CSc1ncc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214484181 815416767 /nfs/dbraw/zinc/41/67/67/815416767.db2.gz CFSQNEMEEDORNI-UHFFFAOYSA-N -1 1 285.731 3.440 20 0 CGADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC001194602034 811093728 /nfs/dbraw/zinc/09/37/28/811093728.db2.gz CPWVEWWVOLCBMX-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC[C@H](C)COC(=O)Nc1c(F)cc([O-])cc1F ZINC001194803686 811139470 /nfs/dbraw/zinc/13/94/70/811139470.db2.gz GAGJZVAGGUTWAU-ZETCQYMHSA-N -1 1 259.252 3.265 20 0 CGADMM CN(CC1CCCCC1)C(=O)c1cc([O-])cnc1Cl ZINC001195305447 811241424 /nfs/dbraw/zinc/24/14/24/811241424.db2.gz JYWLZUUVKGZCHA-UHFFFAOYSA-N -1 1 282.771 3.093 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2cc3scnc3c(C)c2)n1 ZINC001195329444 811242184 /nfs/dbraw/zinc/24/21/84/811242184.db2.gz CJDQMWYIOWXING-UHFFFAOYSA-N -1 1 299.355 3.266 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2ccccc2OCC2CC2)n1 ZINC001195330834 811242273 /nfs/dbraw/zinc/24/22/73/811242273.db2.gz SOEGNNUPPNLTBE-UHFFFAOYSA-N -1 1 298.342 3.137 20 0 CGADMM CCc1cccc(CC)c1NC(=O)c1nc(C)ccc1[O-] ZINC001195327173 811243004 /nfs/dbraw/zinc/24/30/04/811243004.db2.gz XPUAVHAVKZEGIN-UHFFFAOYSA-N -1 1 284.359 3.473 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cccc(CC(C)C)c1 ZINC001195492193 811261673 /nfs/dbraw/zinc/26/16/73/811261673.db2.gz GBSLTMSPJGLPEK-UHFFFAOYSA-N -1 1 280.393 3.328 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cccc(C)c1Cl ZINC001195492663 811261884 /nfs/dbraw/zinc/26/18/84/811261884.db2.gz OAJGJJUHYXMOHE-UHFFFAOYSA-N -1 1 272.757 3.091 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(F)cc1C(C)C ZINC001195491128 811262279 /nfs/dbraw/zinc/26/22/79/811262279.db2.gz RTKIFZGMJKCXQQ-UHFFFAOYSA-N -1 1 284.356 3.392 20 0 CGADMM COc1ccccc1NC(=S)Nc1ccc(F)cc1[O-] ZINC001196249961 811327638 /nfs/dbraw/zinc/32/76/38/811327638.db2.gz PZGFGEICMFCAEY-UHFFFAOYSA-N -1 1 292.335 3.349 20 0 CGADMM [O-]c1cc(F)ccc1NC(=S)Nc1ccc(F)cc1 ZINC001196939834 811383771 /nfs/dbraw/zinc/38/37/71/811383771.db2.gz LWTCFKZNMSHPFM-UHFFFAOYSA-N -1 1 280.299 3.479 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cnn(C(F)F)c1 ZINC001201736656 811952725 /nfs/dbraw/zinc/95/27/25/811952725.db2.gz YICCBKCMKRDVEQ-UHFFFAOYSA-N -1 1 261.178 3.006 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])N[C@@H]1C[C@H]1c1ccccc1 ZINC001201933200 811977205 /nfs/dbraw/zinc/97/72/05/811977205.db2.gz PJNGWFOOZBDWPO-GXTWGEPZSA-N -1 1 286.306 3.209 20 0 CGADMM O=C(Nc1cccc(F)c1)Nc1cc(Cl)ncc1[O-] ZINC001202221309 812041504 /nfs/dbraw/zinc/04/15/04/812041504.db2.gz QIFDIMXXKYNORQ-UHFFFAOYSA-N -1 1 281.674 3.224 20 0 CGADMM Cc1ccc(F)c(-c2noc(-c3ccc(O)cc3[O-])n2)c1 ZINC001215296975 815504282 /nfs/dbraw/zinc/50/42/82/815504282.db2.gz IMLBYBUNERRIRO-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3cncnc3c2)cc1F ZINC001203711401 812437097 /nfs/dbraw/zinc/43/70/97/812437097.db2.gz KGJOGADDPDPVDM-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM COC(=O)c1cc(F)ccc1Nc1cc(F)c([O-])cc1F ZINC001215574083 815538271 /nfs/dbraw/zinc/53/82/71/815538271.db2.gz WHPPTSCTNVHALH-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc3cnncc32)cc1F ZINC001215573718 815538349 /nfs/dbraw/zinc/53/83/49/815538349.db2.gz OSYSZKPCNSOBBE-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM Nc1cc(F)cc(F)c1Nc1cc(F)c([O-])cc1F ZINC001215571955 815537807 /nfs/dbraw/zinc/53/78/07/815537807.db2.gz QJUAEEZHULLDGX-UHFFFAOYSA-N -1 1 272.201 3.274 20 0 CGADMM Cc1c(F)ccc(N)c1Nc1cc(F)c([O-])cc1F ZINC001215576251 815539271 /nfs/dbraw/zinc/53/92/71/815539271.db2.gz QNKFJUJDUWYMJC-UHFFFAOYSA-N -1 1 268.238 3.444 20 0 CGADMM CN1CCc2cc(Nc3cc(F)c([O-])cc3F)ccc21 ZINC001215576607 815540026 /nfs/dbraw/zinc/54/00/26/815540026.db2.gz FASHZRXZUNKPQH-UHFFFAOYSA-N -1 1 276.286 3.406 20 0 CGADMM COc1cc(Nc2cc(=O)[n-]c(SC)n2)cc(C)c1F ZINC001215703871 815561042 /nfs/dbraw/zinc/56/10/42/815561042.db2.gz MMGZKGNOSQUOBL-UHFFFAOYSA-N -1 1 295.339 3.104 20 0 CGADMM [O-]c1cc(Nc2cnn([C@@H]3CCOC3)c2)c(F)cc1Cl ZINC001205192520 812904499 /nfs/dbraw/zinc/90/44/99/812904499.db2.gz XHSCPHWFPMWENI-SECBINFHSA-N -1 1 297.717 3.086 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc4occc4c3)no2)nn1 ZINC001205298971 812939800 /nfs/dbraw/zinc/93/98/00/812939800.db2.gz HLJDYWYFGSLYSN-UHFFFAOYSA-N -1 1 280.243 3.206 20 0 CGADMM COCOc1cc(C)ccc1Nc1ccnc(Cl)c1[O-] ZINC001205453158 812985280 /nfs/dbraw/zinc/98/52/80/812985280.db2.gz VMDWFZAJYGRBNA-UHFFFAOYSA-N -1 1 294.738 3.475 20 0 CGADMM O=C([O-])c1sccc1-c1cc2nc[nH]c2cc1F ZINC001205610303 813023386 /nfs/dbraw/zinc/02/33/86/813023386.db2.gz SIGQYNXGBOAQCS-UHFFFAOYSA-N -1 1 262.265 3.129 20 0 CGADMM CCc1cncc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001209234682 813978718 /nfs/dbraw/zinc/97/87/18/813978718.db2.gz OULYJKNAQWPADG-UHFFFAOYSA-N -1 1 280.331 3.279 20 0 CGADMM [O-]c1c(Cl)cc(Cl)cc1Nc1ccnnc1 ZINC001209960352 814213663 /nfs/dbraw/zinc/21/36/63/814213663.db2.gz HWXHNDOSKBAYAK-UHFFFAOYSA-N -1 1 256.092 3.233 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc2c(c1)OCCCO2 ZINC001210004184 814238277 /nfs/dbraw/zinc/23/82/77/814238277.db2.gz VGWOVFRZPNIGPD-UHFFFAOYSA-N -1 1 292.722 3.346 20 0 CGADMM CN(C)c1cccc(-c2noc(-c3ccc(F)c([O-])c3)n2)c1 ZINC001215842792 815612225 /nfs/dbraw/zinc/61/22/25/815612225.db2.gz VHFLQXPEEUSZMN-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM [O-]c1cccc(-c2cnc3cccnc3n2)c1Cl ZINC001242797447 823135459 /nfs/dbraw/zinc/13/54/59/823135459.db2.gz ITMWXQUHVJASJW-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM CCc1[nH]nc2ncc(Nc3cc([O-])c(F)c(F)c3)cc21 ZINC001210885255 814663877 /nfs/dbraw/zinc/66/38/77/814663877.db2.gz NCCZQIUFADINSD-UHFFFAOYSA-N -1 1 290.273 3.248 20 0 CGADMM Cc1cc(N2CCCC2)nc(-c2cccc([O-])c2Cl)n1 ZINC001242799144 823135853 /nfs/dbraw/zinc/13/58/53/823135853.db2.gz WJZDUMRUVOHLMU-UHFFFAOYSA-N -1 1 289.766 3.411 20 0 CGADMM COC(=O)c1ccc(C)c(-c2cccc([O-])c2Cl)n1 ZINC001242796844 823135178 /nfs/dbraw/zinc/13/51/78/823135178.db2.gz BGFIOUFBFDKOGC-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CSc1ccccc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001211065456 814728369 /nfs/dbraw/zinc/72/83/69/814728369.db2.gz QLUZAZQUDBGZIC-UHFFFAOYSA-N -1 1 271.345 3.035 20 0 CGADMM Cc1cc2c(ncnc2-c2cccc([O-])c2Cl)[nH]1 ZINC001242798351 823136040 /nfs/dbraw/zinc/13/60/40/823136040.db2.gz TVVZDFCRVMBSEY-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM [O-]c1cccc(-c2ccnc(N3CCCCC3)n2)c1Cl ZINC001242799982 823136499 /nfs/dbraw/zinc/13/64/99/823136499.db2.gz BDEKQABKNPEOIU-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM Cc1nc2ncc(-c3cccc([O-])c3Cl)nc2s1 ZINC001242800198 823136529 /nfs/dbraw/zinc/13/65/29/823136529.db2.gz FJACBJFJFSTCHQ-UHFFFAOYSA-N -1 1 277.736 3.421 20 0 CGADMM CN1CCc2cc(-c3cccc([O-])c3Cl)ccc2C1=O ZINC001242801901 823137111 /nfs/dbraw/zinc/13/71/11/823137111.db2.gz FVFGTXBIBBZRNU-UHFFFAOYSA-N -1 1 287.746 3.341 20 0 CGADMM [O-]c1cccc(-c2cnc(OCC3CC3)cn2)c1Cl ZINC001242801594 823137358 /nfs/dbraw/zinc/13/73/58/823137358.db2.gz BKESBFQJUPUIPX-UHFFFAOYSA-N -1 1 276.723 3.291 20 0 CGADMM [O-]c1cccc(-c2ncc3cccnc3n2)c1Cl ZINC001242801829 823137421 /nfs/dbraw/zinc/13/74/21/823137421.db2.gz YDYMVEHBBHWLLD-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM COc1ccc2ncnc(-c3cccc([O-])c3Cl)c2n1 ZINC001242801229 823137541 /nfs/dbraw/zinc/13/75/41/823137541.db2.gz QKIAEPMUZZFJMF-UHFFFAOYSA-N -1 1 287.706 3.059 20 0 CGADMM NC(=O)c1cc(F)c(-c2cccc([O-])c2Cl)cc1F ZINC001242802083 823137849 /nfs/dbraw/zinc/13/78/49/823137849.db2.gz PTVAFMGBYJRXDA-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM NC(=O)c1ccc(-c2cccc([O-])c2Cl)c2cc[nH]c21 ZINC001242802424 823137906 /nfs/dbraw/zinc/13/79/06/823137906.db2.gz GNTWAKQKRRVRSH-UHFFFAOYSA-N -1 1 286.718 3.293 20 0 CGADMM Cc1c(-c2cccc([O-])c2Cl)ccc2c1NC(=O)CO2 ZINC001242803499 823138527 /nfs/dbraw/zinc/13/85/27/823138527.db2.gz SWHFOSWDWYWYQE-UHFFFAOYSA-N -1 1 289.718 3.352 20 0 CGADMM CC(C)Oc1cc(Nc2ccnc(Cl)c2[O-])ccn1 ZINC001215767395 815583421 /nfs/dbraw/zinc/58/34/21/815583421.db2.gz ZBWNNXKWFUFXJQ-UHFFFAOYSA-N -1 1 279.727 3.366 20 0 CGADMM C[C@H]1C(=O)Nc2ccc(-c3cc(F)c([O-])cc3F)cc21 ZINC001211340888 814882228 /nfs/dbraw/zinc/88/22/28/814882228.db2.gz ZNKNMIRIESEJDC-SSDOTTSWSA-N -1 1 275.254 3.393 20 0 CGADMM [O-]c1cc(F)c(-c2cnc3scnc3c2)cc1F ZINC001211350614 814883566 /nfs/dbraw/zinc/88/35/66/814883566.db2.gz VCVGTDZZDFYEAM-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM Nc1ccc2cccc(-c3cc(F)c([O-])cc3F)c2n1 ZINC001211360327 814886798 /nfs/dbraw/zinc/88/67/98/814886798.db2.gz RJXLDLCTGSXFMC-UHFFFAOYSA-N -1 1 272.254 3.468 20 0 CGADMM CSc1ccc(Cl)cc1[N-]c1nnc(C)o1 ZINC001215910660 815627701 /nfs/dbraw/zinc/62/77/01/815627701.db2.gz MHVMYUXEVHBXDB-UHFFFAOYSA-N -1 1 255.730 3.497 20 0 CGADMM CC(=O)c1ccc(-c2noc(-c3cc([O-])cc(F)c3)n2)cc1 ZINC001216339798 815792066 /nfs/dbraw/zinc/79/20/66/815792066.db2.gz NGULPLOPUVQYDI-UHFFFAOYSA-N -1 1 298.273 3.451 20 0 CGADMM CCOc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccn1 ZINC001216626545 815881477 /nfs/dbraw/zinc/88/14/77/815881477.db2.gz YFDCGROXBSUHKR-UHFFFAOYSA-N -1 1 296.330 3.115 20 0 CGADMM O=C([O-])c1ccccc1-c1cc2nc[nH]c2cc1F ZINC001242880747 823163148 /nfs/dbraw/zinc/16/31/48/823163148.db2.gz KUCOSVTYNKCUNE-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM Nc1cccc(NC(=O)c2cc3cccc(O)c3cc2[O-])c1 ZINC001218828347 816254037 /nfs/dbraw/zinc/25/40/37/816254037.db2.gz DZYBCPACDQNBAC-UHFFFAOYSA-N -1 1 294.310 3.086 20 0 CGADMM CCn1nnc2c1ccc(-c1cc(F)c([O-])cc1F)c2C ZINC001222083109 816343665 /nfs/dbraw/zinc/34/36/65/816343665.db2.gz OGISADZXRDRDRL-UHFFFAOYSA-N -1 1 289.285 3.410 20 0 CGADMM COc1ccc2nc(-c3ccc(F)c([O-])c3)nc(C)c2c1 ZINC001243054813 823230044 /nfs/dbraw/zinc/23/00/44/823230044.db2.gz UNIHOEGJFDXQLH-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM O=[P@]([O-])(O)CCCCO[C@@H]1CCCc2ccccc21 ZINC001225018576 816932162 /nfs/dbraw/zinc/93/21/62/816932162.db2.gz BBQCGGLCMIYWMP-CQSZACIVSA-N -1 1 284.292 3.039 20 0 CGADMM CC[C@@H](C)CC[C@@H](C)OCCCC[P@](=O)([O-])O ZINC001225018685 816932904 /nfs/dbraw/zinc/93/29/04/816932904.db2.gz FJJXWXCTTMXWEM-VXGBXAGGSA-N -1 1 266.318 3.176 20 0 CGADMM CC[C@@H](C)C[C@@H](CC)OCCCC[P@](=O)([O-])O ZINC001225022025 816933833 /nfs/dbraw/zinc/93/38/33/816933833.db2.gz LOEBVIMTMGMAMV-VXGBXAGGSA-N -1 1 266.318 3.176 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H](C)c1ccccn1 ZINC001225616273 817114454 /nfs/dbraw/zinc/11/44/54/817114454.db2.gz HLDSLPYTAQKRQI-LLVKDONJSA-N -1 1 257.289 3.130 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H](C)c1ccccc1F ZINC001226242056 817308598 /nfs/dbraw/zinc/30/85/98/817308598.db2.gz HBWYYDCLCSIBIK-MRVPVSSYSA-N -1 1 280.324 3.053 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H](C)c3ccccn3)c12 ZINC001226484884 817373604 /nfs/dbraw/zinc/37/36/04/817373604.db2.gz JITXZTPQSZJWLG-LLVKDONJSA-N -1 1 297.310 3.342 20 0 CGADMM CC[C@@H](C)[C@H](C)Oc1cc([O-])ccc1C(=O)COC ZINC001227172549 817579306 /nfs/dbraw/zinc/57/93/06/817579306.db2.gz PEQXRWURNNFJSX-MNOVXSKESA-N -1 1 266.337 3.035 20 0 CGADMM Cc1cc(C(=O)[O-])cc(-c2ccc3nc[nH]c3c2)c1 ZINC001243182838 823278135 /nfs/dbraw/zinc/27/81/35/823278135.db2.gz SCZZXBMTTAYDIB-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM O=c1cccccc1OC(=C([O-])c1ccco1)c1ccco1 ZINC001227422715 817646142 /nfs/dbraw/zinc/64/61/42/817646142.db2.gz ZWIBYMGQHFUDMG-QGZVFWFLSA-N -1 1 296.278 3.236 20 0 CGADMM C=CC(=O)OC[C@@H](C)Oc1cc(Cl)c([O-])cc1Cl ZINC001227641211 817685782 /nfs/dbraw/zinc/68/57/82/817685782.db2.gz LLUZLVKIRUIVQV-SSDOTTSWSA-N -1 1 291.130 3.196 20 0 CGADMM C=CC(=O)OC[C@H](C)Oc1cc(Cl)c([O-])cc1Cl ZINC001227641212 817686184 /nfs/dbraw/zinc/68/61/84/817686184.db2.gz LLUZLVKIRUIVQV-ZETCQYMHSA-N -1 1 291.130 3.196 20 0 CGADMM CCCOC(=O)[C@H](C)Oc1cc(Cl)c([O-])cc1Cl ZINC001227641855 817687514 /nfs/dbraw/zinc/68/75/14/817687514.db2.gz SPPIESWKBFOUSL-ZETCQYMHSA-N -1 1 293.146 3.420 20 0 CGADMM Cc1cccc2c1CC[C@@H]2Oc1[n-]c(=O)nc2c1CO[C@@H]2C ZINC001227709784 817699664 /nfs/dbraw/zinc/69/96/64/817699664.db2.gz GNFQYCYXOWDNEO-YGRLFVJLSA-N -1 1 298.342 3.148 20 0 CGADMM S=c1nc2cnccc2c(O[C@@H]2C=CCCC2)[n-]1 ZINC001227881136 817742645 /nfs/dbraw/zinc/74/26/45/817742645.db2.gz KKGAZNAJXFXPNU-SECBINFHSA-N -1 1 259.334 3.175 20 0 CGADMM CSc1nc(O[C@@H](C)c2cccnc2Cl)cc(=O)[n-]1 ZINC001228090085 817808602 /nfs/dbraw/zinc/80/86/02/817808602.db2.gz IBDXZYOAOIYWLK-ZETCQYMHSA-N -1 1 297.767 3.093 20 0 CGADMM COc1ccc([C@H](C)Oc2cc(=O)[n-]c(SC)n2)cc1 ZINC001228089552 817808736 /nfs/dbraw/zinc/80/87/36/817808736.db2.gz FDJKJFRXIFXXCK-VIFPVBQESA-N -1 1 292.360 3.053 20 0 CGADMM CCC[C@@H](C)Oc1cc([O-])cc(O)c1C(=O)CC ZINC001228560780 817939447 /nfs/dbraw/zinc/93/94/47/817939447.db2.gz SISGLUALAMWCRI-SECBINFHSA-N -1 1 252.310 3.258 20 0 CGADMM C[C@H](Oc1[n-]c(=S)nc2ccccc21)C1CCOCC1 ZINC001228760457 818001483 /nfs/dbraw/zinc/00/14/83/818001483.db2.gz MUBUPJFQYNIJHD-JTQLQIEISA-N -1 1 290.388 3.112 20 0 CGADMM C[C@@H]1CC[C@H](Oc2cccnc2-c2ncccc2[O-])C1 ZINC001231200243 818055478 /nfs/dbraw/zinc/05/54/78/818055478.db2.gz KPPROBCPAXZCIZ-NEPJUHHUSA-N -1 1 270.332 3.417 20 0 CGADMM C[C@@H](Oc1cccnc1-c1ncccc1[O-])C(F)(F)F ZINC001231201082 818055885 /nfs/dbraw/zinc/05/58/85/818055885.db2.gz WRWBLOIWLAPGOB-MRVPVSSYSA-N -1 1 284.237 3.179 20 0 CGADMM [O-]c1c(F)ccc(CN2CCCC(F)(F)[C@H](F)C2)c1F ZINC001232930602 818476032 /nfs/dbraw/zinc/47/60/32/818476032.db2.gz CEMIKMAYWJNAGO-SNVBAGLBSA-N -1 1 295.251 3.240 20 0 CGADMM CC1(C)CN(Cc2ccc(F)c([O-])c2F)CC(C)(C)O1 ZINC001232939170 818480016 /nfs/dbraw/zinc/48/00/16/818480016.db2.gz HOMBQWMWTPQYPP-UHFFFAOYSA-N -1 1 285.334 3.060 20 0 CGADMM CN(Cc1cccc(F)c1)Cc1cc([O-])c(F)c(F)c1 ZINC001232971126 818487180 /nfs/dbraw/zinc/48/71/80/818487180.db2.gz VIAPNFZLNHYZLM-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM C[C@@]1(F)CC[N@@H+](Cc2ccc([S-])cc2)C[C@H]1F ZINC001233259055 818558087 /nfs/dbraw/zinc/55/80/87/818558087.db2.gz DUQFAHJBGDXEMN-CHWSQXEVSA-N -1 1 257.349 3.247 20 0 CGADMM C[C@@]1(F)CCN(Cc2ccc([S-])cc2)C[C@H]1F ZINC001233259055 818558093 /nfs/dbraw/zinc/55/80/93/818558093.db2.gz DUQFAHJBGDXEMN-CHWSQXEVSA-N -1 1 257.349 3.247 20 0 CGADMM [S-]c1ccc(CN2CCOc3ccccc3C2)cc1 ZINC001233261173 818558183 /nfs/dbraw/zinc/55/81/83/818558183.db2.gz FQBPGIFJYLMXFB-UHFFFAOYSA-N -1 1 271.385 3.370 20 0 CGADMM O=C([O-])c1cc(Cl)cc(-c2ccc3cncn3c2)c1 ZINC001243324389 823348108 /nfs/dbraw/zinc/34/81/08/823348108.db2.gz FDHIVLVYENAFIO-UHFFFAOYSA-N -1 1 272.691 3.353 20 0 CGADMM Cc1nc2c[nH]cc(-c3cc(Cl)cc(C(=O)[O-])c3)c-2n1 ZINC001243326180 823348864 /nfs/dbraw/zinc/34/88/64/823348864.db2.gz NBZVDDRMMYEUNH-UHFFFAOYSA-N -1 1 287.706 3.285 20 0 CGADMM Cc1nc2c(cncc2-c2cc(Cl)cc(C(=O)[O-])c2)[nH]1 ZINC001243326180 823348869 /nfs/dbraw/zinc/34/88/69/823348869.db2.gz NBZVDDRMMYEUNH-UHFFFAOYSA-N -1 1 287.706 3.285 20 0 CGADMM Nc1cc(-c2ccc([O-])c(F)c2F)nc(C(F)(F)F)c1 ZINC001243341087 823353816 /nfs/dbraw/zinc/35/38/16/823353816.db2.gz BGWJCWGRXRZXID-UHFFFAOYSA-N -1 1 290.191 3.333 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OC[C@@H]1CCC=CO1 ZINC001233649853 818669613 /nfs/dbraw/zinc/66/96/13/818669613.db2.gz DKCZOZWTQQQABU-ZDUSSCGKSA-N -1 1 276.332 3.447 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C)c1cncnc1 ZINC001233650448 818670291 /nfs/dbraw/zinc/67/02/91/818670291.db2.gz JZYTZUONDMWYQJ-NSHDSACASA-N -1 1 286.331 3.305 20 0 CGADMM O=C1CCc2cc(-c3ccc([O-])c(F)c3F)ccc2N1 ZINC001243341630 823355818 /nfs/dbraw/zinc/35/58/18/823355818.db2.gz AYGZIFIYCNLEMO-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM [O-]c1ccc(-c2ccc3cnncc3c2)c(F)c1F ZINC001243341651 823355991 /nfs/dbraw/zinc/35/59/91/823355991.db2.gz BIAZXKCXMIYGMH-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM O=C1OCc2cc(-c3ccc([O-])c(F)c3F)ccc21 ZINC001243341627 823356039 /nfs/dbraw/zinc/35/60/39/823356039.db2.gz AWGLPAPFZUVWAC-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM [O-]c1ccc(-c2cccc3c2COCC3)c(F)c1F ZINC001243342448 823357452 /nfs/dbraw/zinc/35/74/52/823357452.db2.gz NTFLTPDLDIKCCL-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM COc1ccc(-c2ccc([O-])c(F)c2F)nc1C ZINC001243343374 823359578 /nfs/dbraw/zinc/35/95/78/823359578.db2.gz AFTDLPVOUTYREL-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CCC[C@H](CC)Oc1c(=O)[n-]c(C(C)C)nc1C(=O)OC ZINC001234561144 818882265 /nfs/dbraw/zinc/88/22/65/818882265.db2.gz RJRSDZRXGMHGHD-JTQLQIEISA-N -1 1 296.367 3.050 20 0 CGADMM CSc1cc(C)ccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001243394359 823388766 /nfs/dbraw/zinc/38/87/66/823388766.db2.gz SNNGSKRNBPXVHI-UHFFFAOYSA-N -1 1 297.379 3.196 20 0 CGADMM CCOC(=O)c1cc(C)cc(-c2c(F)ccc(C)c2[O-])n1 ZINC001236391567 819447903 /nfs/dbraw/zinc/44/79/03/819447903.db2.gz OCLPVGJBEKDFPZ-UHFFFAOYSA-N -1 1 289.306 3.387 20 0 CGADMM Cc1ccc(F)c(-c2cccc(C3(C)OCCO3)n2)c1[O-] ZINC001236406483 819454317 /nfs/dbraw/zinc/45/43/17/819454317.db2.gz VCMZRDCNTTXZQS-UHFFFAOYSA-N -1 1 289.306 3.121 20 0 CGADMM COc1nccc(-c2cc(F)cc(F)c2[O-])c1C ZINC001243503123 823421651 /nfs/dbraw/zinc/42/16/51/823421651.db2.gz AINPQQAMDLSCEN-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CC(=O)Nc1ccc(-c2cc(F)cc(F)c2[O-])cc1F ZINC001243505186 823423423 /nfs/dbraw/zinc/42/34/23/823423423.db2.gz VYFLHDCVJDXOAF-UHFFFAOYSA-N -1 1 281.233 3.435 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cnc(OC2CCC2)nc1 ZINC001243506119 823424216 /nfs/dbraw/zinc/42/42/16/823424216.db2.gz ZXKPLXBKLBJGGM-UHFFFAOYSA-N -1 1 278.258 3.059 20 0 CGADMM CCOc1ncccc1-c1cc(F)cc(F)c1[O-] ZINC001243502701 823421364 /nfs/dbraw/zinc/42/13/64/823421364.db2.gz OTEUEAHTPZEGTC-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM CC1(C)CCN(Cc2cc(F)c([O-])c(Cl)c2)C1 ZINC001237987674 819902638 /nfs/dbraw/zinc/90/26/38/819902638.db2.gz BRZIUWLCBODXEP-UHFFFAOYSA-N -1 1 257.736 3.417 20 0 CGADMM [O-]c1cc(F)c(CN2CCC3(CCCO3)CC2)cc1Cl ZINC001238151554 819942719 /nfs/dbraw/zinc/94/27/19/819942719.db2.gz HWXDWZVFEGWYEN-UHFFFAOYSA-N -1 1 299.773 3.330 20 0 CGADMM [O-]c1cc(F)c(CN2C[C@H]3[C@H](CC3(F)F)C2)cc1Cl ZINC001238147015 819943482 /nfs/dbraw/zinc/94/34/82/819943482.db2.gz QKCPXISQBLRKRI-BDAKNGLRSA-N -1 1 291.700 3.272 20 0 CGADMM C[C@]1(F)CCCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001238232925 819967077 /nfs/dbraw/zinc/96/70/77/819967077.db2.gz GNFYHABVOOPUOK-HNNXBMFYSA-N -1 1 283.318 3.238 20 0 CGADMM CCOC(=O)Cc1cccnc1-c1ccc(Cl)c([O-])c1 ZINC001243577040 823451178 /nfs/dbraw/zinc/45/11/78/823451178.db2.gz RGLRQYJNOOFZBL-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM [O-]c1cc(-c2ccc3c(n2)CCOC3)ccc1Cl ZINC001243578194 823451852 /nfs/dbraw/zinc/45/18/52/823451852.db2.gz CGNVZIREXGBRQJ-UHFFFAOYSA-N -1 1 261.708 3.180 20 0 CGADMM CC1(C)C(=O)Nc2cc(-c3ccc(Cl)c([O-])c3)ncc21 ZINC001243578223 823452030 /nfs/dbraw/zinc/45/20/30/823452030.db2.gz DYISJKLACYJCHJ-UHFFFAOYSA-N -1 1 288.734 3.337 20 0 CGADMM [O-]c1cc(-c2cc(F)cc(-c3nn[nH]n3)c2)ccc1Cl ZINC001243582464 823454287 /nfs/dbraw/zinc/45/42/87/823454287.db2.gz SUYVKWCUYNAOOJ-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM COC(=O)c1cc(F)ncc1-c1ccc(Cl)c([O-])c1 ZINC001243584139 823455734 /nfs/dbraw/zinc/45/57/34/823455734.db2.gz RIGRQWFHHNGRHC-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM CON(C)C(=O)c1ccc(-c2ccc(Cl)c([O-])c2)cc1 ZINC001243584836 823456077 /nfs/dbraw/zinc/45/60/77/823456077.db2.gz ZFSFCYSOEQRPLL-UHFFFAOYSA-N -1 1 291.734 3.346 20 0 CGADMM COC(=O)c1nc2cc(-c3ccn(C(C)C)c3)ccc2[n-]1 ZINC001239068126 820213592 /nfs/dbraw/zinc/21/35/92/820213592.db2.gz OAFSCGOQWDGOGH-UHFFFAOYSA-N -1 1 283.331 3.399 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccn(C(C)C)c3)cc2[n-]1 ZINC001239068126 820213597 /nfs/dbraw/zinc/21/35/97/820213597.db2.gz OAFSCGOQWDGOGH-UHFFFAOYSA-N -1 1 283.331 3.399 20 0 CGADMM NC(=S)c1ccnc(-c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001243609826 823466530 /nfs/dbraw/zinc/46/65/30/823466530.db2.gz CJDOJLPYXIOMQS-UHFFFAOYSA-N -1 1 298.289 3.107 20 0 CGADMM COC(=O)c1nc2cc(-c3ccccc3)ccc2[n-]1 ZINC001239467821 820317398 /nfs/dbraw/zinc/31/73/98/820317398.db2.gz NHYLTJLCYKXVRI-UHFFFAOYSA-N -1 1 252.273 3.017 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccccc3)cc2[n-]1 ZINC001239467821 820317409 /nfs/dbraw/zinc/31/74/09/820317409.db2.gz NHYLTJLCYKXVRI-UHFFFAOYSA-N -1 1 252.273 3.017 20 0 CGADMM c1ccc2c(c1)cccc2-c1ccc(-c2nnn[n-]2)nc1 ZINC001239470903 820320881 /nfs/dbraw/zinc/32/08/81/820320881.db2.gz BREWDFSUPSYONG-UHFFFAOYSA-N -1 1 273.299 3.082 20 0 CGADMM c1ccc2c(c1)cccc2-c1ccc(-c2nn[n-]n2)nc1 ZINC001239470903 820320892 /nfs/dbraw/zinc/32/08/92/820320892.db2.gz BREWDFSUPSYONG-UHFFFAOYSA-N -1 1 273.299 3.082 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(OC)cc3)ccc2[n-]1 ZINC001239484130 820333767 /nfs/dbraw/zinc/33/37/67/820333767.db2.gz JRTUUULGVTXSMH-UHFFFAOYSA-N -1 1 282.299 3.025 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(OC)cc3)cc2[n-]1 ZINC001239484130 820333778 /nfs/dbraw/zinc/33/37/78/820333778.db2.gz JRTUUULGVTXSMH-UHFFFAOYSA-N -1 1 282.299 3.025 20 0 CGADMM Cc1cc2c(c(-c3ccccc3C(C)C)n1)C(=O)[N-]C2=O ZINC001239866777 820671475 /nfs/dbraw/zinc/67/14/75/820671475.db2.gz NWYFAPKEKXQRTN-UHFFFAOYSA-N -1 1 280.327 3.064 20 0 CGADMM COc1ccc2ncc(-c3cc(F)ccc3[O-])nc2c1 ZINC001240693345 821249843 /nfs/dbraw/zinc/24/98/43/821249843.db2.gz OARBKWQFMKTJMB-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM [O-]c1ccc(F)cc1-c1ccc(-c2ccccn2)nn1 ZINC001240695185 821251397 /nfs/dbraw/zinc/25/13/97/821251397.db2.gz DESSDNUFZMTWDD-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM CCOC(=O)c1cc(C)nc(-c2cc(F)ccc2[O-])c1 ZINC001240694591 821251652 /nfs/dbraw/zinc/25/16/52/821251652.db2.gz ZXWZDEDMVBAKFL-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM COc1nc(-c2cc(F)ccc2[O-])ccc1-n1cnc(C)c1 ZINC001240696946 821253591 /nfs/dbraw/zinc/25/35/91/821253591.db2.gz VQFYZGKZBFDRLE-UHFFFAOYSA-N -1 1 299.305 3.096 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc4[nH]ccc43)ccc2[n-]1 ZINC001240711657 821266656 /nfs/dbraw/zinc/26/66/56/821266656.db2.gz VAYYHUAKGZVSKE-UHFFFAOYSA-N -1 1 291.310 3.498 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc4[nH]ccc43)cc2[n-]1 ZINC001240711657 821266660 /nfs/dbraw/zinc/26/66/60/821266660.db2.gz VAYYHUAKGZVSKE-UHFFFAOYSA-N -1 1 291.310 3.498 20 0 CGADMM Cc1nc(-c2ccc([O-])c(F)c2)nc2ccccc12 ZINC001240783188 821322826 /nfs/dbraw/zinc/32/28/26/821322826.db2.gz OEIBCCNFIUYZKI-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM CCCNc1nc(-c2ccc(C)cc2[O-])ncc1C ZINC001241027554 821502455 /nfs/dbraw/zinc/50/24/55/821502455.db2.gz BLUCNFBQXCSLIC-UHFFFAOYSA-N -1 1 257.337 3.288 20 0 CGADMM COc1cccc2c1ncnc2-c1c(F)cc([O-])cc1F ZINC001241116839 821571361 /nfs/dbraw/zinc/57/13/61/821571361.db2.gz FZVZKWCHILYUMN-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3ccncc3n2)c(F)c1 ZINC001241117484 821571714 /nfs/dbraw/zinc/57/17/14/821571714.db2.gz QIGCEFISILZRKM-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1cc(F)c(-c2cc3ccccc3nn2)c(F)c1 ZINC001241118175 821573040 /nfs/dbraw/zinc/57/30/40/821573040.db2.gz LGRVEUZKTSOJHB-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Cc1[nH]c2ncnc(-c3c(F)cc([O-])cc3F)c2c1C ZINC001241118616 821574248 /nfs/dbraw/zinc/57/42/48/821574248.db2.gz SGUIANBQBRCPFA-UHFFFAOYSA-N -1 1 275.258 3.226 20 0 CGADMM Cc1noc(-c2cccnc2-c2c(F)cc([O-])cc2F)n1 ZINC001241119620 821574314 /nfs/dbraw/zinc/57/43/14/821574314.db2.gz HRJQSZAOMWXXPC-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3cnccc3n2)c(F)c1 ZINC001241118573 821574656 /nfs/dbraw/zinc/57/46/56/821574656.db2.gz QLUZJTOBUIKOBZ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM C[C@@H]1C(=O)Nc2ccc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241122345 821578713 /nfs/dbraw/zinc/57/87/13/821578713.db2.gz MVAGWPNLOTYBDA-ZETCQYMHSA-N -1 1 275.254 3.393 20 0 CGADMM Cc1ccc(S(C)(=O)=O)cc1-c1c(F)cc([O-])cc1F ZINC001241123073 821579932 /nfs/dbraw/zinc/57/99/32/821579932.db2.gz TXFSZDCZMQJIPB-UHFFFAOYSA-N -1 1 298.310 3.049 20 0 CGADMM [O-]c1cc(F)c(-c2cnc3[nH]cc(F)c3c2)c(F)c1 ZINC001241123189 821580146 /nfs/dbraw/zinc/58/01/46/821580146.db2.gz UNKNKOYQDQZBIF-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM Cn1ccc2c1ccnc2-c1ccc(F)c(C(=O)[O-])c1 ZINC001241243896 821665844 /nfs/dbraw/zinc/66/58/44/821665844.db2.gz SCTCIORJJQOXMW-UHFFFAOYSA-N -1 1 270.263 3.078 20 0 CGADMM [O-]c1ccc(F)c(-c2nccnc2C(F)(F)F)c1F ZINC001241289102 821707118 /nfs/dbraw/zinc/70/71/18/821707118.db2.gz KWPLUTSZQYMCIS-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM [O-]c1ccc(F)c(-c2ncc(C(F)(F)F)cn2)c1F ZINC001241291662 821708924 /nfs/dbraw/zinc/70/89/24/821708924.db2.gz PVMUURJGRKOHIA-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM [S-]c1cccc(-c2ccccc2CN2CCOCC2)c1 ZINC001241989838 822258226 /nfs/dbraw/zinc/25/82/26/822258226.db2.gz OWDYNYWDOORJLZ-UHFFFAOYSA-N -1 1 285.412 3.475 20 0 CGADMM CC(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nc1 ZINC001242131899 822888344 /nfs/dbraw/zinc/88/83/44/822888344.db2.gz LSVYCIGHZRSDFW-UHFFFAOYSA-N -1 1 296.248 3.431 20 0 CGADMM COC(=O)c1cccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242131524 822889035 /nfs/dbraw/zinc/88/90/35/822889035.db2.gz MKWOVXWVUABUMR-UHFFFAOYSA-N -1 1 297.232 3.260 20 0 CGADMM Cc1cc(-c2ccc([O-])c(C(F)(F)F)c2)nc(C)n1 ZINC001242148380 822894790 /nfs/dbraw/zinc/89/47/90/822894790.db2.gz WDOMKUGMOIDKKY-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM Cc1ccnnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242151039 822895332 /nfs/dbraw/zinc/89/53/32/822895332.db2.gz DXKYQBONNSWAIG-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM COC(=O)c1cc2ncoc2c(-c2ccc(F)cc2[O-])c1 ZINC001242218637 822915768 /nfs/dbraw/zinc/91/57/68/822915768.db2.gz IRYQIMOAZIGOBA-UHFFFAOYSA-N -1 1 287.246 3.126 20 0 CGADMM COC(=O)c1c(F)cccc1-c1cccc(F)c1[O-] ZINC001242352561 822962474 /nfs/dbraw/zinc/96/24/74/822962474.db2.gz YYPKLSUICOIVOJ-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM COC(=O)c1nc2cccc(-c3cccc(F)c3[O-])c2o1 ZINC001242352922 822962585 /nfs/dbraw/zinc/96/25/85/822962585.db2.gz GSYNJJGOIIUCEZ-UHFFFAOYSA-N -1 1 287.246 3.126 20 0 CGADMM COC(=O)c1cc(-c2cccc(Cl)c2[O-])cnc1F ZINC001242364301 822968455 /nfs/dbraw/zinc/96/84/55/822968455.db2.gz GTRPVZQRNZGFRU-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM COC(=O)c1cncc(-c2cccc(Cl)c2[O-])c1C ZINC001242365993 822968758 /nfs/dbraw/zinc/96/87/58/822968758.db2.gz OBSKVGPJXGJMMV-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM O=C1COc2cccc(-c3cccc(Cl)c3[O-])c2N1 ZINC001242366472 822968845 /nfs/dbraw/zinc/96/88/45/822968845.db2.gz YDLPTAYGZSRUSR-UHFFFAOYSA-N -1 1 275.691 3.044 20 0 CGADMM [O-]c1c(Cl)cccc1-c1cnc(OC2CCC2)nc1 ZINC001242367425 822969295 /nfs/dbraw/zinc/96/92/95/822969295.db2.gz LYHIBYGBUQTYJU-UHFFFAOYSA-N -1 1 276.723 3.434 20 0 CGADMM O=C1COc2cc(-c3cccc(Cl)c3[O-])ccc2N1 ZINC001242367186 822969519 /nfs/dbraw/zinc/96/95/19/822969519.db2.gz KCNKHBZMRGGZBR-UHFFFAOYSA-N -1 1 275.691 3.044 20 0 CGADMM [O-]c1c(Cl)cccc1-c1cc(F)c2nccn2c1 ZINC001242366987 822969673 /nfs/dbraw/zinc/96/96/73/822969673.db2.gz FZYDJGOIQJMRLI-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM CCOC(=O)Cc1ncccc1-c1cccc(Cl)c1[O-] ZINC001242367718 822969785 /nfs/dbraw/zinc/96/97/85/822969785.db2.gz QSMVCDYNXYDJMG-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1c[n-][nH]c1=O ZINC001364150016 937232228 /nfs/dbraw/zinc/23/22/28/937232228.db2.gz QJCSKHXJJQQQGZ-QWRGUYRKSA-N -1 1 285.347 3.043 20 0 CGADMM CC(C)c1ccc([C@H](C)CC(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001364513045 937233211 /nfs/dbraw/zinc/23/32/11/937233211.db2.gz SRUFIYDGMMQAFR-LLVKDONJSA-N -1 1 287.363 3.371 20 0 CGADMM CCc1oc(CNCc2ccc(C)cc2C)cc1C(=O)[O-] ZINC000902106094 928759480 /nfs/dbraw/zinc/75/94/80/928759480.db2.gz QDNBVTGDLZBNDS-UHFFFAOYSA-N -1 1 287.359 3.447 20 0 CGADMM C[C@H]1CCC[C@H](C(=O)[N-]Oc2ccc(F)cc2)C1 ZINC001469938196 928809870 /nfs/dbraw/zinc/80/98/70/928809870.db2.gz VPSFJOXFBKECCQ-QWRGUYRKSA-N -1 1 251.301 3.062 20 0 CGADMM CN(Cc1cccc(Cl)c1)C(=O)c1ccc(F)c([O-])c1 ZINC001440555905 937330883 /nfs/dbraw/zinc/33/08/83/937330883.db2.gz LQNHICPTIFNLKV-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM O=C(Nc1cnc2ccccc2c1)c1cccc([O-])c1F ZINC001440803032 937333681 /nfs/dbraw/zinc/33/36/81/937333681.db2.gz INZWUVFNIJMJAZ-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CCC1CCC(N(C(=O)c2ccc([O-])cn2)C2CC2)CC1 ZINC001442351567 937342306 /nfs/dbraw/zinc/34/23/06/937342306.db2.gz HRYBNTARGKFHRW-UHFFFAOYSA-N -1 1 288.391 3.361 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1C[C@H]1C1CCCC1 ZINC001451754942 937391656 /nfs/dbraw/zinc/39/16/56/937391656.db2.gz MIILEXPXJKDKKR-WDEREUQCSA-N -1 1 281.302 3.435 20 0 CGADMM Cc1csc([C@@H](C)C(=O)Nc2cc(F)cc(F)c2[O-])n1 ZINC001451751065 937392096 /nfs/dbraw/zinc/39/20/96/937392096.db2.gz GZQGHLKTJWHBPU-ZETCQYMHSA-N -1 1 298.314 3.178 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1cc(Cl)ncc1F ZINC001452819339 937398549 /nfs/dbraw/zinc/39/85/49/937398549.db2.gz HUYVJDZPEDLJIV-UHFFFAOYSA-N -1 1 297.742 3.243 20 0 CGADMM COc1ccccc1[C@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001454985555 937413698 /nfs/dbraw/zinc/41/36/98/937413698.db2.gz HGPWBPMUTYEKCY-JTQLQIEISA-N -1 1 289.306 3.031 20 0 CGADMM CCC1(CC)CCCN1C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001455441883 937417727 /nfs/dbraw/zinc/41/77/27/937417727.db2.gz DJUQNBQBTLFSBO-UHFFFAOYSA-N -1 1 289.375 3.308 20 0 CGADMM O=C([N-]c1c(F)cc(Cl)cc1F)c1ncccc1F ZINC001458397253 937461009 /nfs/dbraw/zinc/46/10/09/937461009.db2.gz UTHPEFKMSWWTNJ-UHFFFAOYSA-N -1 1 286.640 3.405 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(F)c([O-])c2)[C@H]2CCCC[C@H]12 ZINC001546120172 937553041 /nfs/dbraw/zinc/55/30/41/937553041.db2.gz FCTSEVRXXBBKCQ-QKCSRTOESA-N -1 1 277.339 3.182 20 0 CGADMM O=c1ccc2c(O[C@@H]3CCC(F)(F)C3)cc([O-])cc2o1 ZINC001229131654 932101471 /nfs/dbraw/zinc/10/14/71/932101471.db2.gz MMLUKOKFNXPSJG-SECBINFHSA-N -1 1 282.242 3.065 20 0 CGADMM C[C@@H](Oc1cc([O-])cc2oc(=O)ccc12)c1ccncc1 ZINC001229129339 932101550 /nfs/dbraw/zinc/10/15/50/932101550.db2.gz NDVYOLWIVVLTSG-SNVBAGLBSA-N -1 1 283.283 3.034 20 0 CGADMM C[C@@H](Oc1cc([O-])cc2oc(=O)ccc12)c1nccs1 ZINC001229135771 932102824 /nfs/dbraw/zinc/10/28/24/932102824.db2.gz QCNFKFKIZYHIPS-MRVPVSSYSA-N -1 1 289.312 3.095 20 0 CGADMM CC[C@@H](CC(=O)OC)Oc1cc([O-])c(Cl)cc1Cl ZINC001229411561 932147968 /nfs/dbraw/zinc/14/79/68/932147968.db2.gz SSMASFYYAIYQGO-ZETCQYMHSA-N -1 1 293.146 3.420 20 0 CGADMM CCC(=O)c1ccc([O-])cc1OC[C@@H]1Cc2ccccc2O1 ZINC001229474811 932157452 /nfs/dbraw/zinc/15/74/52/932157452.db2.gz KINTTYHENLCPNQ-AWEZNQCLSA-N -1 1 298.338 3.367 20 0 CGADMM CCC[C@H](Oc1nc(C)[n-]c(=O)c1OC)c1ccccc1 ZINC001230025592 932523933 /nfs/dbraw/zinc/52/39/33/932523933.db2.gz KKDSHTSKIHNTNK-ZDUSSCGKSA-N -1 1 288.347 3.419 20 0 CGADMM Cc1cc(F)c(CNC(=O)c2ccc(F)c([O-])c2)c(F)c1 ZINC001304002309 932840108 /nfs/dbraw/zinc/84/01/08/932840108.db2.gz PHOQDYCHCBYLKU-UHFFFAOYSA-N -1 1 295.260 3.048 20 0 CGADMM CN(Cc1ccccc1)C(=O)c1ncc2ccccc2c1[O-] ZINC001463663404 937679204 /nfs/dbraw/zinc/67/92/04/937679204.db2.gz ZVUADVTXEQNMNG-UHFFFAOYSA-N -1 1 292.338 3.213 20 0 CGADMM CN(CC1CCCCC1)C(=O)c1ccc(F)c([O-])c1 ZINC001464021726 937684373 /nfs/dbraw/zinc/68/43/73/937684373.db2.gz OZMPUUJSXRXYPJ-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM CCC(CC)CN(CC)C(=O)c1ccc(F)c([O-])c1 ZINC001464190412 937687541 /nfs/dbraw/zinc/68/75/41/937687541.db2.gz SPYGQHCJCQWYHM-UHFFFAOYSA-N -1 1 267.344 3.430 20 0 CGADMM C[C@@H]1CCCC[C@H]1CCNC(=O)c1cccc([O-])c1F ZINC001465153168 937698362 /nfs/dbraw/zinc/69/83/62/937698362.db2.gz HUMVMJHQIVHSMC-NEPJUHHUSA-N -1 1 279.355 3.478 20 0 CGADMM O=C(N[C@H]1CC=CCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001465270618 937699688 /nfs/dbraw/zinc/69/96/88/937699688.db2.gz NDECZRPCNJOWAT-LBPRGKRZSA-N -1 1 283.327 3.090 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@@H]1C1CC1 ZINC001464833871 937696218 /nfs/dbraw/zinc/69/62/18/937696218.db2.gz XKICDKCICBZCNV-GFCCVEGCSA-N -1 1 299.292 3.426 20 0 CGADMM CCC(C)(C)c1ccc(CNC(=O)c2ccc([O-])cn2)cc1 ZINC001466289829 937707595 /nfs/dbraw/zinc/70/75/95/937707595.db2.gz HJICWUZDJNIUSN-UHFFFAOYSA-N -1 1 298.386 3.405 20 0 CGADMM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ncccc1[O-] ZINC001466709320 937711683 /nfs/dbraw/zinc/71/16/83/937711683.db2.gz YSYZZNVFIHLRDN-MLGOLLRUSA-N -1 1 296.370 3.231 20 0 CGADMM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ncccc1[O-] ZINC001466709318 937711862 /nfs/dbraw/zinc/71/18/62/937711862.db2.gz YSYZZNVFIHLRDN-BLLLJJGKSA-N -1 1 296.370 3.231 20 0 CGADMM Cc1ccc([C@H]2CCN(C(=O)c3ccc(F)c([O-])c3)C2)cc1 ZINC001466820234 937713019 /nfs/dbraw/zinc/71/30/19/937713019.db2.gz ZPSKSKBIWZWRKH-HNNXBMFYSA-N -1 1 299.345 3.469 20 0 CGADMM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC001468927321 937733164 /nfs/dbraw/zinc/73/31/64/937733164.db2.gz HWKIAYVMJFSSED-CMPLNLGQSA-N -1 1 279.355 3.476 20 0 CGADMM O=C(CC1(C(F)(F)F)CC1)Nc1c([O-])cccc1F ZINC001469930007 937745871 /nfs/dbraw/zinc/74/58/71/937745871.db2.gz YQRGTDMJGRDBMB-UHFFFAOYSA-N -1 1 277.217 3.202 20 0 CGADMM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001469855224 937744791 /nfs/dbraw/zinc/74/47/91/937744791.db2.gz PXUKLSYGWFIHMA-GXTWGEPZSA-N -1 1 298.386 3.495 20 0 CGADMM CC1(C)C[C@]1(C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001470395415 937752048 /nfs/dbraw/zinc/75/20/48/937752048.db2.gz NRCYODWYLBAVSF-KRWDZBQOSA-N -1 1 285.343 3.169 20 0 CGADMM CC(C)[C@@H]1C[C@H](NC(=O)c2ncccc2[O-])c2ccccc21 ZINC001471050863 937760675 /nfs/dbraw/zinc/76/06/75/937760675.db2.gz UVESOWWXHPZDIC-GJZGRUSLSA-N -1 1 296.370 3.402 20 0 CGADMM CCc1nc(C)c(C(=O)Nc2cccc(F)c2[O-])s1 ZINC001471166785 937761995 /nfs/dbraw/zinc/76/19/95/937761995.db2.gz QNBQZUYONROGMF-UHFFFAOYSA-N -1 1 280.324 3.111 20 0 CGADMM Cc1cc(C(=O)Nc2cccc(F)c2[O-])sc1C ZINC001471166778 937762056 /nfs/dbraw/zinc/76/20/56/937762056.db2.gz QHRHWBYQANOLGP-UHFFFAOYSA-N -1 1 265.309 3.462 20 0 CGADMM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ncc2ccccc2c1[O-] ZINC001471873965 937770055 /nfs/dbraw/zinc/77/00/55/937770055.db2.gz BMKWDJDYSWNFQU-DOMZBBRYSA-N -1 1 296.370 3.106 20 0 CGADMM O=C(/C=C/C=C(Cl)Cl)Nc1ccc(F)cc1[O-] ZINC001472535359 937777084 /nfs/dbraw/zinc/77/70/84/937777084.db2.gz SJRUSJKDOZRFLD-HNQUOIGGSA-N -1 1 276.094 3.345 20 0 CGADMM O=C(Nc1c[n-][nH]c1=O)c1cccc(Oc2ccccc2)c1 ZINC001472569890 937777926 /nfs/dbraw/zinc/77/79/26/937777926.db2.gz QNXHRCAQYSGVTQ-UHFFFAOYSA-N -1 1 295.298 3.160 20 0 CGADMM Cc1cnc(SCc2ccc(Cl)s2)[n-]c1=O ZINC001473036198 937790913 /nfs/dbraw/zinc/79/09/13/937790913.db2.gz SXQPZQSQGLSXFZ-UHFFFAOYSA-N -1 1 272.782 3.498 20 0 CGADMM O=C(CC1(C(F)(F)F)CC1)Nc1cccc(F)c1[O-] ZINC001329102463 935186008 /nfs/dbraw/zinc/18/60/08/935186008.db2.gz JLZRXYKVIFCUOT-UHFFFAOYSA-N -1 1 277.217 3.202 20 0 CGADMM CC(C)=CC[C@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC001330287247 935283430 /nfs/dbraw/zinc/28/34/30/935283430.db2.gz VNGLHWQBVPPGOP-LBPRGKRZSA-N -1 1 296.436 3.340 20 0 CGADMM C[C@H]1CN(Cc2cc(=O)[nH]c(C3CC3)n2)Cc2ccccc21 ZINC001331111716 935350933 /nfs/dbraw/zinc/35/09/33/935350933.db2.gz RNCBURBKXPMFSJ-LBPRGKRZSA-N -1 1 295.386 3.179 20 0 CGADMM O=C(N[C@H]1CCC[C@@H](F)C1)c1c([O-])cccc1Cl ZINC001332483292 935473067 /nfs/dbraw/zinc/47/30/67/935473067.db2.gz DNFYXBDUWSAZHV-BDAKNGLRSA-N -1 1 271.719 3.056 20 0 CGADMM CCC[C@@H](C)C[C@@H](NCc1cc2cccnc2o1)C(=O)[O-] ZINC001332473024 935473161 /nfs/dbraw/zinc/47/31/61/935473161.db2.gz CNJVXSMSIKYCBJ-BXUZGUMPSA-N -1 1 290.363 3.197 20 0 CGADMM Cc1noc([N-][C@@H](C)c2nc(C(F)(F)F)cs2)n1 ZINC001336621543 936201417 /nfs/dbraw/zinc/20/14/17/936201417.db2.gz PDFOTJQSELYWBR-BYPYZUCNSA-N -1 1 278.259 3.026 20 0 CGADMM CC(C)c1nsc([N-]C(=O)c2cnoc2C(C)C)n1 ZINC001521847315 938034807 /nfs/dbraw/zinc/03/48/07/938034807.db2.gz KJRGRKVMDLWOHK-UHFFFAOYSA-N -1 1 280.353 3.025 20 0 CGADMM CN(Cc1ccccc1Cl)C(=O)c1ccc(F)c([O-])c1 ZINC001540403854 938131016 /nfs/dbraw/zinc/13/10/16/938131016.db2.gz RQTQQVGCZMSWPC-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM CN(Cc1ccc(F)cc1F)C(=O)c1ccc(F)c([O-])c1 ZINC001540564776 938132064 /nfs/dbraw/zinc/13/20/64/938132064.db2.gz FBBSJCXJJNTINR-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(CCC(C)C)C2CC2)c1 ZINC001540748094 938133561 /nfs/dbraw/zinc/13/35/61/938133561.db2.gz PLONLCUOFMOEAW-UHFFFAOYSA-N -1 1 289.375 3.164 20 0 CGADMM CCc1ccc(CCNC(=O)c2c([O-])cccc2F)cc1 ZINC001544115471 938143614 /nfs/dbraw/zinc/14/36/14/938143614.db2.gz PARRXEDZMOUWAI-UHFFFAOYSA-N -1 1 287.334 3.066 20 0 CGADMM O=C(Nc1ccc(F)cn1)c1ccc2ccc(O)cc2c1[O-] ZINC001544728063 938146690 /nfs/dbraw/zinc/14/66/90/938146690.db2.gz HRCCPTZYAFHWGQ-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM C/C(=C\c1ccccn1)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001557087103 938207783 /nfs/dbraw/zinc/20/77/83/938207783.db2.gz UIIRGOCKQFOZOX-RMKNXTFCSA-N -1 1 290.269 3.107 20 0 CGADMM O=C(NCC1CCC(F)CC1)c1cc(Cl)ccc1[O-] ZINC001557337156 938209362 /nfs/dbraw/zinc/20/93/62/938209362.db2.gz XKROZUPNAYQJKI-UHFFFAOYSA-N -1 1 285.746 3.304 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001558383110 938215195 /nfs/dbraw/zinc/21/51/95/938215195.db2.gz XFLLREUUFSDJCH-SCZZXKLOSA-N -1 1 287.281 3.329 20 0 CGADMM CC[C@H](C)CCC(=O)NCCc1c(F)cc([O-])cc1F ZINC001558516794 938216027 /nfs/dbraw/zinc/21/60/27/938216027.db2.gz WRIHRBJBQMGDKA-JTQLQIEISA-N -1 1 285.334 3.155 20 0 CGADMM CC1(C)CCC[C@H](CNC(=O)c2ccc(Cl)cc2[O-])O1 ZINC001558695454 938217258 /nfs/dbraw/zinc/21/72/58/938217258.db2.gz CXIIRNGIHRRUTN-LLVKDONJSA-N -1 1 297.782 3.123 20 0 CGADMM Cc1nc(SCc2nc(C(C)(C)C)co2)[n-]c(=O)c1C ZINC001559392598 938226093 /nfs/dbraw/zinc/22/60/93/938226093.db2.gz ADWFFGPRPNFTQH-UHFFFAOYSA-N -1 1 293.392 3.377 20 0 CGADMM [O-]c1ccc(CNCc2cccc(F)c2F)c(F)c1F ZINC001560956094 938286515 /nfs/dbraw/zinc/28/65/15/938286515.db2.gz MLTVPIXIJWUEBZ-UHFFFAOYSA-N -1 1 285.240 3.238 20 0 CGADMM O=C([O-])c1cccc(CN2CC[C@@](F)(c3ccccc3)C2)c1 ZINC001595242172 949477107 /nfs/dbraw/zinc/47/71/07/949477107.db2.gz MQTIFFSVWLAHLL-SFHVURJKSA-N -1 1 299.345 3.456 20 0 CGADMM Cc1oc(CN[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000232424420 960266203 /nfs/dbraw/zinc/26/62/03/960266203.db2.gz GPWHKWAHOOTPGX-JTQLQIEISA-N -1 1 259.305 3.137 20 0 CGADMM CCc1ccc([C@H](C)NCc2occc2C(=O)[O-])cc1 ZINC000234151490 960341322 /nfs/dbraw/zinc/34/13/22/960341322.db2.gz MCYNYQMTLFQQEC-NSHDSACASA-N -1 1 273.332 3.391 20 0 CGADMM CC[C@@H](NC(=O)c1ncccc1[O-])c1ccc(C)c(F)c1 ZINC001566935414 961061373 /nfs/dbraw/zinc/06/13/73/961061373.db2.gz GZMALWURBVVDFW-CYBMUJFWSA-N -1 1 288.322 3.116 20 0 CGADMM Cc1oc(C(C)(C)C)cc1CN1CCC[C@]1(C)C(=O)[O-] ZINC001574443716 961431508 /nfs/dbraw/zinc/43/15/08/961431508.db2.gz DIFPVCMEPWUNHB-MRXNPFEDSA-N -1 1 279.380 3.325 20 0 CGADMM CC[C@H](CN(CC)C(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001567814436 961437854 /nfs/dbraw/zinc/43/78/54/961437854.db2.gz JOHKQBUXPYIQKL-CQSZACIVSA-N -1 1 298.386 3.443 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)c1 ZINC001568845891 961648621 /nfs/dbraw/zinc/64/86/21/961648621.db2.gz URRRZTNSNXMYPL-JYAVWHMHSA-N -1 1 289.375 3.068 20 0 CGADMM CCc1ccc(C(=O)Nc2cc(C3CC3)ccn2)c([O-])c1 ZINC001569944790 961871508 /nfs/dbraw/zinc/87/15/08/961871508.db2.gz QODQGABYSWALIT-UHFFFAOYSA-N -1 1 282.343 3.479 20 0 CGADMM CCc1ccc(C(=O)Nc2cc([C@@H]3C[C@H]3C)[nH]n2)c([O-])c1 ZINC001570719342 962054771 /nfs/dbraw/zinc/05/47/71/962054771.db2.gz UEDDPEUKEZOGSA-BXKDBHETSA-N -1 1 285.347 3.053 20 0 CGADMM Cc1ccc([C@H](C)NC(=O)c2cccc([O-])c2F)s1 ZINC001583431250 962809812 /nfs/dbraw/zinc/80/98/12/962809812.db2.gz MDWLIADDCHUMHC-VIFPVBQESA-N -1 1 279.336 3.392 20 0 CGADMM O=C(Nc1ccc2nc[nH]c2c1)c1ccc([O-])c(Cl)c1 ZINC001583580051 962823565 /nfs/dbraw/zinc/82/35/65/962823565.db2.gz XCECHWRLKHXMPZ-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM C[C@@H](c1ccccc1)N(C)C(=O)c1cccc([O-])c1F ZINC001587400863 963195836 /nfs/dbraw/zinc/19/58/36/963195836.db2.gz MSVONWOAJNCFAH-NSHDSACASA-N -1 1 273.307 3.365 20 0 CGADMM CCCN(CC)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001587754181 963219615 /nfs/dbraw/zinc/21/96/15/963219615.db2.gz GNCDJADEUNRSEA-UHFFFAOYSA-N -1 1 275.270 3.283 20 0 CGADMM C=C/C=C/CCSc1cccc(F)c1-c1nn[n-]n1 ZINC001588530354 963280720 /nfs/dbraw/zinc/28/07/20/963280720.db2.gz KNNGKHRVXZUENE-ONEGZZNKSA-N -1 1 276.340 3.230 20 0 CGADMM C=COc1ccc(NCc2csc(-c3nn[n-]n3)c2)cc1 ZINC001588716620 963306712 /nfs/dbraw/zinc/30/67/12/963306712.db2.gz JDLICWIHBKYDPL-UHFFFAOYSA-N -1 1 299.359 3.063 20 0 CGADMM CC[C@@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])[nH]1 ZINC001595499576 981265258 /nfs/dbraw/zinc/26/52/58/981265258.db2.gz MFZAKOZQCRXHAX-OAHLLOKOSA-N -1 1 284.359 3.050 20 0 CGADMM CCC[C@@](C)(NCc1cnc(-c2ccccc2)o1)C(=O)[O-] ZINC001595560120 981446257 /nfs/dbraw/zinc/44/62/57/981446257.db2.gz XGIQMWUSXFWUBL-MRXNPFEDSA-N -1 1 288.347 3.075 20 0 CGADMM CC[C@@H](C)[C@@H](C)N(Cc1ncc(C(=O)[O-])s1)C1CC1 ZINC001594880617 982230354 /nfs/dbraw/zinc/23/03/54/982230354.db2.gz CKBZEPVPIZASLB-NXEZZACHSA-N -1 1 282.409 3.240 20 0 CGADMM C[C@@H]1CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)CCC1(F)F ZINC001594534226 986142827 /nfs/dbraw/zinc/14/28/27/986142827.db2.gz IAYUAMBVVSTJMV-SECBINFHSA-N -1 1 298.333 3.067 20 0 CGADMM CCc1[nH]c(CN2C[C@@H](C)[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001597383178 987581409 /nfs/dbraw/zinc/58/14/09/987581409.db2.gz CBOFMOCQAMXOTE-SJKOYZFVSA-N -1 1 298.386 3.468 20 0 CGADMM CCc1[nH]c(CN2Cc3ccccc3C[C@@H]2C)cc1C(=O)[O-] ZINC001597391329 987621633 /nfs/dbraw/zinc/62/16/33/987621633.db2.gz KRLRAIHYYAQUKR-LBPRGKRZSA-N -1 1 298.386 3.222 20 0 CGADMM CCc1cc(CN[C@@H](C)c2ccc(C(=O)[O-])cc2C)on1 ZINC001597478073 987956303 /nfs/dbraw/zinc/95/63/03/987956303.db2.gz ADGBBZANJCDAOD-NSHDSACASA-N -1 1 288.347 3.094 20 0 CGADMM CC(C)(C)N(Cc1cc(C(=O)[O-])no1)Cc1ccccc1 ZINC001589795138 988188634 /nfs/dbraw/zinc/18/86/34/988188634.db2.gz BCPPBFYUPOUTAY-UHFFFAOYSA-N -1 1 288.347 3.174 20 0 CGADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1cccs1 ZINC001599841419 988840072 /nfs/dbraw/zinc/84/00/72/988840072.db2.gz GPPZPRMBEBUASQ-SECBINFHSA-N -1 1 279.336 3.436 20 0 CGADMM CC(C)CN([C@@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001591289481 992232877 /nfs/dbraw/zinc/23/28/77/992232877.db2.gz DXLOXEXJHTWRPH-VIFPVBQESA-N -1 1 268.382 3.023 20 0 CGADMM CC(C)N(Cc1cccc(C(=O)[O-])c1Cl)[C@H]1CCOC1 ZINC001591600638 992831214 /nfs/dbraw/zinc/83/12/14/992831214.db2.gz QQYGWAFQPPDTQH-LBPRGKRZSA-N -1 1 297.782 3.038 20 0 CGADMM CC1(F)CCN(Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC001594048129 997719188 /nfs/dbraw/zinc/71/91/88/997719188.db2.gz UBCJIRYYUWLJMK-UHFFFAOYSA-N -1 1 285.746 3.362 20 0 CGADMM C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])o1 ZINC001594216868 998834495 /nfs/dbraw/zinc/83/44/95/998834495.db2.gz YBPLSUXOOLRLLG-DTWKUNHWSA-N -1 1 291.269 3.141 20 0 CGADMM CCOc1cc(C(=O)N2CC3CC2(C)C3)cc(Cl)c1[O-] ZINC000621209053 349470680 /nfs/dbraw/zinc/47/06/80/349470680.db2.gz BUZDFNMPXVBBCJ-UHFFFAOYSA-N -1 1 295.766 3.069 20 0 CGADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000337778162 214258198 /nfs/dbraw/zinc/25/81/98/214258198.db2.gz ZAFKYWQGCZBDNA-UHFFFAOYSA-N -1 1 297.376 3.348 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ccnc(C)c2)n1 ZINC000621992728 349618710 /nfs/dbraw/zinc/61/87/10/349618710.db2.gz GZYLOGMYCXUGRZ-UHFFFAOYSA-N -1 1 275.377 3.130 20 0 CGADMM CCOc1cc(C(=O)N2CCC=C(F)C2)cc(Cl)c1[O-] ZINC000273877891 192345914 /nfs/dbraw/zinc/34/59/14/192345914.db2.gz ROTBTBWFPHDRDB-UHFFFAOYSA-N -1 1 299.729 3.144 20 0 CGADMM O=C(NCC[C@H]1CC1(F)F)c1ccc2ccccc2c1[O-] ZINC000622205857 349650721 /nfs/dbraw/zinc/65/07/21/349650721.db2.gz WGAAWJOJQYYCQG-NSHDSACASA-N -1 1 291.297 3.321 20 0 CGADMM CC[C@@H](C)c1cc(C(=O)Nc2ccc(F)cc2[O-])on1 ZINC000436815802 529429516 /nfs/dbraw/zinc/42/95/16/529429516.db2.gz YHJFTWBRGXOZOS-MRVPVSSYSA-N -1 1 278.283 3.285 20 0 CGADMM O=C(NCC[C@@H]1CC1(F)F)c1ccc2ccccc2c1[O-] ZINC000622205856 349650905 /nfs/dbraw/zinc/65/09/05/349650905.db2.gz WGAAWJOJQYYCQG-LLVKDONJSA-N -1 1 291.297 3.321 20 0 CGADMM CCc1cnc(NC(=O)c2ccc(CC)cc2[O-])s1 ZINC000622398804 349676736 /nfs/dbraw/zinc/67/67/36/349676736.db2.gz MDLPHXIBBGXMQC-UHFFFAOYSA-N -1 1 276.361 3.226 20 0 CGADMM O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccccc1[O-] ZINC000125767389 187199364 /nfs/dbraw/zinc/19/93/64/187199364.db2.gz ZSLUDDDLAMOFBQ-UHFFFAOYSA-N -1 1 271.320 3.025 20 0 CGADMM CCc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1F ZINC000622460120 349681155 /nfs/dbraw/zinc/68/11/55/349681155.db2.gz FDJFDDHADVKBLV-UHFFFAOYSA-N -1 1 277.270 3.485 20 0 CGADMM C/C(=C/c1ccccc1Cl)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000125879413 187203379 /nfs/dbraw/zinc/20/33/79/187203379.db2.gz UJKFPRNPOHTYHW-IWMPZKFUSA-N -1 1 295.766 3.318 20 0 CGADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])C1CCC(F)CC1 ZINC000622753029 349699949 /nfs/dbraw/zinc/69/99/49/349699949.db2.gz PRLZUONPVWCFJH-KPPDAEKUSA-N -1 1 283.318 3.178 20 0 CGADMM CCc1cc(NC(=O)C(=O)c2ccc([O-])cc2)ccc1C ZINC000437003946 529541848 /nfs/dbraw/zinc/54/18/48/529541848.db2.gz VMDLFQFQPBDDMK-UHFFFAOYSA-N -1 1 283.327 3.084 20 0 CGADMM [O-]c1cccc(CN2CCOC3(CCCC3)C2)c1Cl ZINC000351641213 219158818 /nfs/dbraw/zinc/15/88/18/219158818.db2.gz LAHAIYBFMRTSKZ-UHFFFAOYSA-N -1 1 281.783 3.191 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1CCC(C(F)(F)F)CC1 ZINC000088422867 345760854 /nfs/dbraw/zinc/76/08/54/345760854.db2.gz BRKNQNVIIFWTEZ-UHFFFAOYSA-N -1 1 291.269 3.061 20 0 CGADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1c(Cl)cccc1Cl ZINC000092940101 345863676 /nfs/dbraw/zinc/86/36/76/345863676.db2.gz DTHAFXOFPGMTOV-IUCAKERBSA-N -1 1 288.174 3.288 20 0 CGADMM CC(C)Cn1cc([N-]c2nc(C3CC3)ns2)cn1 ZINC000092658387 345850203 /nfs/dbraw/zinc/85/02/03/345850203.db2.gz AOVFJPJHDRGAOR-UHFFFAOYSA-N -1 1 263.370 3.012 20 0 CGADMM CC1(C)CCC(NC(=O)c2cc(F)ccc2[O-])CC1 ZINC000128670565 346042314 /nfs/dbraw/zinc/04/23/14/346042314.db2.gz RPPTWKDVDXNBHT-UHFFFAOYSA-N -1 1 265.328 3.230 20 0 CGADMM COc1cc(C)ccc1NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000131110223 346063229 /nfs/dbraw/zinc/06/32/29/346063229.db2.gz GDHUXRYAFKMGQA-UHFFFAOYSA-N -1 1 297.314 3.239 20 0 CGADMM C[S@@](=O)c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000339301815 215081001 /nfs/dbraw/zinc/08/10/01/215081001.db2.gz KAWOVSQCXLOLFV-LJQANCHMSA-N -1 1 295.791 3.395 20 0 CGADMM O=c1cc(C(F)F)nc(SCc2ncoc2C2CC2)[n-]1 ZINC000351890857 219239954 /nfs/dbraw/zinc/23/99/54/219239954.db2.gz VJAWPOQAEOQIDN-UHFFFAOYSA-N -1 1 299.302 3.278 20 0 CGADMM O=C(CCc1ccccc1)Nc1c([O-])cccc1F ZINC000605435487 348155408 /nfs/dbraw/zinc/15/54/08/348155408.db2.gz GKIARBXDVQXZRF-UHFFFAOYSA-N -1 1 259.280 3.103 20 0 CGADMM O=C(CCc1cccs1)Nc1c([O-])cccc1F ZINC000605439558 348155790 /nfs/dbraw/zinc/15/57/90/348155790.db2.gz XPFCYFQCGULUCU-UHFFFAOYSA-N -1 1 265.309 3.164 20 0 CGADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)nn1C(C)(C)C ZINC000608366817 348301461 /nfs/dbraw/zinc/30/14/61/348301461.db2.gz NJFDLJMQIISXNJ-UHFFFAOYSA-N -1 1 291.326 3.044 20 0 CGADMM C[C@@H]1CC[C@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000611705298 348468994 /nfs/dbraw/zinc/46/89/94/348468994.db2.gz MGDFLOXJCMDUEO-NEPJUHHUSA-N -1 1 284.359 3.201 20 0 CGADMM CC(C)(C)c1nnc(SCC(=O)c2ccc([O-])cc2)o1 ZINC000614087169 348650216 /nfs/dbraw/zinc/65/02/16/348650216.db2.gz CQFFTQXYJZURTR-UHFFFAOYSA-N -1 1 292.360 3.048 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(F)cc2Br)c1=O ZINC000614186156 348656537 /nfs/dbraw/zinc/65/65/37/348656537.db2.gz WEEKSNWZGQACBR-VIFPVBQESA-N -1 1 299.143 3.337 20 0 CGADMM CCN(CCC1CC1)C(=O)c1ncc2ccccc2c1[O-] ZINC000613514958 348614155 /nfs/dbraw/zinc/61/41/55/348614155.db2.gz OQQJZMOVNMQTBU-UHFFFAOYSA-N -1 1 284.359 3.203 20 0 CGADMM C[C@H]1CCCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613617971 348623547 /nfs/dbraw/zinc/62/35/47/348623547.db2.gz QZRCAVPRZMJPCJ-LBPRGKRZSA-N -1 1 284.359 3.203 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C(CC(C)C)CC(C)C ZINC000615220866 348723725 /nfs/dbraw/zinc/72/37/25/348723725.db2.gz WTIWMTIJVPUHGV-UHFFFAOYSA-N -1 1 267.373 3.071 20 0 CGADMM O=C(N[C@@]12C[C@@H]1CCC2)c1ccc2ccccc2c1[O-] ZINC000617203168 348931443 /nfs/dbraw/zinc/93/14/43/348931443.db2.gz YNCBGEKNHRIXHE-SJCJKPOMSA-N -1 1 267.328 3.218 20 0 CGADMM CCOc1cc(C(=O)N(C(C)C)C2CC2)cc(Cl)c1[O-] ZINC000273995082 192393917 /nfs/dbraw/zinc/39/39/17/192393917.db2.gz YHUPORPQNNBJMS-UHFFFAOYSA-N -1 1 297.782 3.457 20 0 CGADMM Cc1cnc(C(=O)N2CCCC[C@@H]2CC2CCC2)c([O-])c1 ZINC000620569367 349385811 /nfs/dbraw/zinc/38/58/11/349385811.db2.gz VGHYSBMVQSUZCV-CQSZACIVSA-N -1 1 288.391 3.281 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCC[C@H](C2CCCCC2)C1 ZINC000620690502 349412485 /nfs/dbraw/zinc/41/24/85/349412485.db2.gz WWNMFLVMVIJEEU-AWEZNQCLSA-N -1 1 288.391 3.220 20 0 CGADMM C[C@@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)C(F)(F)F ZINC000624577339 350066835 /nfs/dbraw/zinc/06/68/35/350066835.db2.gz XQKMJQMREUCCHM-LURJTMIESA-N -1 1 290.216 3.322 20 0 CGADMM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629379667 350684900 /nfs/dbraw/zinc/68/49/00/350684900.db2.gz HAPVEINRXSLRNR-SJKOYZFVSA-N -1 1 299.374 3.343 20 0 CGADMM C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380098 350685861 /nfs/dbraw/zinc/68/58/61/350685861.db2.gz KEWOKOXNEVGTDE-SWLSCSKDSA-N -1 1 299.374 3.343 20 0 CGADMM Cc1nc(S[C@@H]2COC(C)(C)C2)[n-]c(=O)c1C1CC1 ZINC000631023472 350926615 /nfs/dbraw/zinc/92/66/15/350926615.db2.gz SJSKLBXTKZORDU-JTQLQIEISA-N -1 1 280.393 3.028 20 0 CGADMM Cc1ccncc1CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024599 350927681 /nfs/dbraw/zinc/92/76/81/350927681.db2.gz WOQHWQZANOYCCU-UHFFFAOYSA-N -1 1 287.388 3.364 20 0 CGADMM Cc1nc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)cs1 ZINC000631024867 350927998 /nfs/dbraw/zinc/92/79/98/350927998.db2.gz HJCJGSPAJMKAON-UHFFFAOYSA-N -1 1 293.417 3.425 20 0 CGADMM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632076560 351165198 /nfs/dbraw/zinc/16/51/98/351165198.db2.gz LNPTYMVMEICURU-VIFPVBQESA-N -1 1 293.335 3.074 20 0 CGADMM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632225840 351181260 /nfs/dbraw/zinc/18/12/60/351181260.db2.gz AKHHVBZSWFLEQH-MRVPVSSYSA-N -1 1 293.335 3.074 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)[C@H]1c1ccco1 ZINC000633790791 351374995 /nfs/dbraw/zinc/37/49/95/351374995.db2.gz AUTOEUWWQZURBH-AWEZNQCLSA-N -1 1 289.306 3.348 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C1CCC1)c1cncc([O-])c1 ZINC000117986867 186762416 /nfs/dbraw/zinc/76/24/16/186762416.db2.gz TYNFXQUIPFITJZ-INIZCTEOSA-N -1 1 282.343 3.058 20 0 CGADMM CCCc1c(C)[n-]n([C@@H](C)COc2ccccc2)c1=O ZINC000634629079 351551979 /nfs/dbraw/zinc/55/19/79/351551979.db2.gz MGPZMTUULFVMFZ-WFASDCNBSA-N -1 1 274.364 3.088 20 0 CGADMM Cc1c(Cl)cccc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000634592397 351528489 /nfs/dbraw/zinc/52/84/89/351528489.db2.gz IJLIERULVRVQMW-ISVAXAHUSA-N -1 1 262.740 3.397 20 0 CGADMM CCc1[n-]n(-c2cccc(C(F)(F)F)n2)c(=O)c1C(C)C ZINC000634612355 351542529 /nfs/dbraw/zinc/54/25/29/351542529.db2.gz WMMSZSQXEKXLRC-GFCCVEGCSA-N -1 1 299.296 3.485 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(Cl)c(F)c3)c(=O)c21 ZINC000634616116 351544549 /nfs/dbraw/zinc/54/45/49/351544549.db2.gz BDHULGLYZAQGBO-KRTXAFLBSA-N -1 1 266.703 3.228 20 0 CGADMM C[C@@H](C(=O)[N-]OC/C=C/Cl)c1cn(C)c2ccccc12 ZINC000291762355 198083769 /nfs/dbraw/zinc/08/37/69/198083769.db2.gz IAERUIPWXNOGCO-AYLMVEPYSA-N -1 1 292.766 3.082 20 0 CGADMM CC1(F)CC(NC(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000452274553 535174772 /nfs/dbraw/zinc/17/47/72/535174772.db2.gz GENMFHSLOHDMCK-UHFFFAOYSA-N -1 1 291.244 3.031 20 0 CGADMM CCN(CC(C)(C)C)C(=O)c1cc(F)ccc1[O-] ZINC000292073537 198152676 /nfs/dbraw/zinc/15/26/76/198152676.db2.gz IUJKIFUEYDHIDV-UHFFFAOYSA-N -1 1 253.317 3.040 20 0 CGADMM C[C@@H]1C[C@@H](Sc2nc(C(F)F)cc(=O)[n-]2)C[C@H](C)O1 ZINC000292554242 198331394 /nfs/dbraw/zinc/33/13/94/198331394.db2.gz CJHXYTOQPASNGF-RNLVFQAGSA-N -1 1 290.335 3.168 20 0 CGADMM COC1(CCSc2nc(C(F)F)cc(=O)[n-]2)CCC1 ZINC000292721162 198388959 /nfs/dbraw/zinc/38/89/59/198388959.db2.gz SCYULRXXUQZZAG-UHFFFAOYSA-N -1 1 290.335 3.171 20 0 CGADMM CCN(C(=O)c1ccc(Br)c([O-])c1)C1CCC1 ZINC000336382317 213237948 /nfs/dbraw/zinc/23/79/48/213237948.db2.gz XOTRNKYUNIZDMO-UHFFFAOYSA-N -1 1 298.180 3.169 20 0 CGADMM COc1cc(C(=O)N2CCCC23CCC3)cc(Cl)c1[O-] ZINC000336318308 213161788 /nfs/dbraw/zinc/16/17/88/213161788.db2.gz KYQDGFUMOJGNSY-UHFFFAOYSA-N -1 1 295.766 3.213 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cncc(F)c1 ZINC000336231985 213062625 /nfs/dbraw/zinc/06/26/25/213062625.db2.gz SEYYYCPQRCUPGE-UHFFFAOYSA-N -1 1 281.674 3.224 20 0 CGADMM CCCc1cc(C(=O)[N-]c2nnc(C(C)(C)C)s2)no1 ZINC000294650190 199122534 /nfs/dbraw/zinc/12/25/34/199122534.db2.gz VPJHPFOJRXHPRE-UHFFFAOYSA-N -1 1 294.380 3.028 20 0 CGADMM CCC1(C)CN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000336031021 212835375 /nfs/dbraw/zinc/83/53/75/212835375.db2.gz NHUNRGJPKGLUMZ-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM COc1ccc(C(=O)Nc2ccc3ccoc3c2)c([O-])c1 ZINC000436785511 237181794 /nfs/dbraw/zinc/18/17/94/237181794.db2.gz URTJXKDVLAAOFR-UHFFFAOYSA-N -1 1 283.283 3.399 20 0 CGADMM O=C(N[C@H]1CC[C@H](F)C1)c1cc2ccccc2cc1[O-] ZINC000436742905 237169322 /nfs/dbraw/zinc/16/93/22/237169322.db2.gz GDXAREFLFZCHPZ-STQMWFEESA-N -1 1 273.307 3.166 20 0 CGADMM COCC(C)(C)CCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000436736822 237172164 /nfs/dbraw/zinc/17/21/64/237172164.db2.gz PEECKJSFDNSBKR-UHFFFAOYSA-N -1 1 299.798 3.228 20 0 CGADMM CN(C(=O)c1ccc([O-])cc1F)c1ccc2cc[nH]c2c1 ZINC000436999238 237228975 /nfs/dbraw/zinc/22/89/75/237228975.db2.gz MHQRCZFKWKWXHD-UHFFFAOYSA-N -1 1 284.290 3.289 20 0 CGADMM Cc1nc(-c2ccc(N[C@@H](C)C3CCC3)nc2)[n-]c(=O)c1C ZINC000301880742 201245609 /nfs/dbraw/zinc/24/56/09/201245609.db2.gz ZRXUVGFSQRLTQB-LBPRGKRZSA-N -1 1 298.390 3.462 20 0 CGADMM Cc1ccc(-c2noc([N-][C@@H](CO)c3ccccc3)n2)cc1 ZINC000302024174 201305387 /nfs/dbraw/zinc/30/53/87/201305387.db2.gz GBEFJTBGLIYJIS-HNNXBMFYSA-N -1 1 295.342 3.191 20 0 CGADMM O=S(=O)([N-]C[C@@H]1CC=CCC1)c1sccc1Cl ZINC000451120726 240223615 /nfs/dbraw/zinc/22/36/15/240223615.db2.gz LILKTJYTXXJTCX-SECBINFHSA-N -1 1 291.825 3.036 20 0 CGADMM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000451305950 240270087 /nfs/dbraw/zinc/27/00/87/240270087.db2.gz LUSURRYPXPKPKC-WCBMZHEXSA-N -1 1 293.841 3.259 20 0 CGADMM O=C([O-])[C@@H]1CCCN1Cc1cccc(Cl)c1Cl ZINC000003747811 368517807 /nfs/dbraw/zinc/51/78/07/368517807.db2.gz PPMUIHYLHAQTCE-JTQLQIEISA-N -1 1 274.147 3.042 20 0 CGADMM O=C([O-])[C@H]1CCCCN1Cc1ccc(Cl)cc1Cl ZINC000003754686 368519557 /nfs/dbraw/zinc/51/95/57/368519557.db2.gz SOGZMKJSKYPEKU-GFCCVEGCSA-N -1 1 288.174 3.433 20 0 CGADMM Cc1ccsc1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000025678850 368850189 /nfs/dbraw/zinc/85/01/89/368850189.db2.gz OTUCVYVHXHPVGX-UHFFFAOYSA-N -1 1 281.764 3.346 20 0 CGADMM Cc1n[nH]c(C)c1NC(=O)c1ccc2ccccc2c1[O-] ZINC000036734061 369027056 /nfs/dbraw/zinc/02/70/56/369027056.db2.gz LEYCPYUIOATIEW-UHFFFAOYSA-N -1 1 281.315 3.138 20 0 CGADMM Cc1cnc(C(=O)N(CC(C)C)C2CCCC2)c([O-])c1 ZINC000494821176 244322104 /nfs/dbraw/zinc/32/21/04/244322104.db2.gz KWZSGISNGLRHRO-UHFFFAOYSA-N -1 1 276.380 3.136 20 0 CGADMM O=S(=O)(Cc1cccc(Cl)c1)c1ccc([O-])cc1 ZINC000049489012 369405471 /nfs/dbraw/zinc/40/54/71/369405471.db2.gz QTTWEOKVUCAUFB-UHFFFAOYSA-N -1 1 282.748 3.020 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2c(F)cccc2F)on1 ZINC000072642914 369831393 /nfs/dbraw/zinc/83/13/93/369831393.db2.gz UTLQISPPUJBDRI-UHFFFAOYSA-N -1 1 266.247 3.329 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1C1CCC1 ZINC000102900072 370314853 /nfs/dbraw/zinc/31/48/53/370314853.db2.gz CJYCDYOIBQOJDI-ZDUSSCGKSA-N -1 1 279.767 3.450 20 0 CGADMM O=C(N[C@H](c1ccccc1)C1CCC1)c1cncc([O-])c1 ZINC000117986869 370603736 /nfs/dbraw/zinc/60/37/36/370603736.db2.gz TYNFXQUIPFITJZ-MRXNPFEDSA-N -1 1 282.343 3.058 20 0 CGADMM O=C(Nc1cnc2ccccc2c1)c1cc(F)ccc1[O-] ZINC000149015359 371526142 /nfs/dbraw/zinc/52/61/42/371526142.db2.gz GRNOYGHJEYUMAU-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM Cc1cccc([C@@H]2CCCN2C(=O)c2ncccc2[O-])c1C ZINC000153883267 371796278 /nfs/dbraw/zinc/79/62/78/371796278.db2.gz NVGNYKHEUFNODO-HNNXBMFYSA-N -1 1 296.370 3.381 20 0 CGADMM CO[C@H]1CCCC[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000293131895 372306243 /nfs/dbraw/zinc/30/62/43/372306243.db2.gz JBIRESDDCVHGAK-YPMHNXCESA-N -1 1 292.310 3.254 20 0 CGADMM CC(C)C(=O)c1ccc([C@H](C)C(=O)[N-]OCC2CC2)cc1 ZINC000293704081 372455078 /nfs/dbraw/zinc/45/50/78/372455078.db2.gz DVHUFJAAPGILQD-LBPRGKRZSA-N -1 1 289.375 3.087 20 0 CGADMM Cc1cc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)ccn1 ZINC000432514633 372568953 /nfs/dbraw/zinc/56/89/53/372568953.db2.gz NCMLDSFNXQQGQC-UHFFFAOYSA-N -1 1 279.343 3.417 20 0 CGADMM [O-]c1cccc(CN2CCCC[C@@H]2c2cc[nH]n2)c1Cl ZINC000353460175 220096901 /nfs/dbraw/zinc/09/69/01/220096901.db2.gz JHMPHRPVEHBVDA-CYBMUJFWSA-N -1 1 291.782 3.496 20 0 CGADMM CC(C)O[N-]C(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000295768843 372904586 /nfs/dbraw/zinc/90/45/86/372904586.db2.gz WQZYXEYMEPDIMC-VIFPVBQESA-N -1 1 286.169 3.009 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2c([O-])cccc2F)C[C@H]1C ZINC000300241474 373621616 /nfs/dbraw/zinc/62/16/16/373621616.db2.gz JIBQDHMNXKLGIY-MXWKQRLJSA-N -1 1 265.328 3.086 20 0 CGADMM CC(C)COc1ccc(NC(=O)c2ccccc2[O-])cn1 ZINC000303674753 374027956 /nfs/dbraw/zinc/02/79/56/374027956.db2.gz QDFDRPPLMQHPGQ-UHFFFAOYSA-N -1 1 286.331 3.074 20 0 CGADMM C[C@H](CCc1ccccc1)NC(=O)c1ccc([O-])cc1F ZINC000181054074 374073815 /nfs/dbraw/zinc/07/38/15/374073815.db2.gz VXDCRXIVHJCEJA-GFCCVEGCSA-N -1 1 287.334 3.282 20 0 CGADMM C[C@H]1CCCC[C@@]1(C)NC(=O)c1ccc([O-])cc1F ZINC000308733491 374177218 /nfs/dbraw/zinc/17/72/18/374177218.db2.gz WLOXNMGQUQRDBZ-ZUZCIYMTSA-N -1 1 265.328 3.230 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCCc2sccc2C1 ZINC000080026372 541922845 /nfs/dbraw/zinc/92/28/45/541922845.db2.gz LZVJRWNBXZYDQM-UHFFFAOYSA-N -1 1 291.347 3.181 20 0 CGADMM O=C(Nc1cccc2ccc(O)cc21)c1ccc(O)cc1[O-] ZINC000184059611 374487089 /nfs/dbraw/zinc/48/70/89/374487089.db2.gz GSIFRFLMQZZBAU-UHFFFAOYSA-N -1 1 295.294 3.209 20 0 CGADMM CCc1ccc(C(=O)N(CCOC)c2ccccc2)c([O-])c1 ZINC000456387865 374533929 /nfs/dbraw/zinc/53/39/29/374533929.db2.gz LAUSQPWSYURPDE-UHFFFAOYSA-N -1 1 299.370 3.248 20 0 CGADMM CCC(CC)CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456776834 374620271 /nfs/dbraw/zinc/62/02/71/374620271.db2.gz FOSNHOORKPLNGR-UHFFFAOYSA-N -1 1 257.280 3.435 20 0 CGADMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463663074 374847294 /nfs/dbraw/zinc/84/72/94/374847294.db2.gz GLNUJSOYKBESRJ-RKDXNWHRSA-N -1 1 293.791 3.192 20 0 CGADMM CCOc1cc(C(=O)N[C@@H]2C=CCCC2)cc(Cl)c1[O-] ZINC000186861873 374931936 /nfs/dbraw/zinc/93/19/36/374931936.db2.gz YNUAQVZSVDADMC-LLVKDONJSA-N -1 1 295.766 3.283 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2nc3ccccc3o2)[n-]1 ZINC000188129273 375163571 /nfs/dbraw/zinc/16/35/71/375163571.db2.gz FKJZMHLFTCIULY-UHFFFAOYSA-N -1 1 299.355 3.493 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCC(F)(F)C1 ZINC000335218344 375237665 /nfs/dbraw/zinc/23/76/65/375237665.db2.gz REMPKGJJKHDASX-LURJTMIESA-N -1 1 277.217 3.044 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCCCC1(F)F ZINC000335218324 375237702 /nfs/dbraw/zinc/23/77/02/375237702.db2.gz QOYADOFOSUGCKG-ZETCQYMHSA-N -1 1 291.244 3.434 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CC12CCSCC2 ZINC000335221359 375239835 /nfs/dbraw/zinc/23/98/35/375239835.db2.gz XHTHRYPTUGYYKQ-MRVPVSSYSA-N -1 1 299.342 3.142 20 0 CGADMM C[C@@H]1CCN(Cc2cccc(Cl)c2F)C[C@@H]1C(=O)[O-] ZINC000335420712 375278944 /nfs/dbraw/zinc/27/89/44/375278944.db2.gz DFUNEJGEDUNRII-KOLCDFICSA-N -1 1 285.746 3.022 20 0 CGADMM O=C(/C=C\c1ccc[nH]1)Nc1ccc([O-])c(Cl)c1 ZINC000492007642 375392934 /nfs/dbraw/zinc/39/29/34/375392934.db2.gz XMBQWQCSPFVUOS-XQRVVYSFSA-N -1 1 262.696 3.026 20 0 CGADMM NC(=O)[C@@H]1CCC[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000336043250 375641952 /nfs/dbraw/zinc/64/19/52/375641952.db2.gz UJAKPLNQGFQYTK-BDAKNGLRSA-N -1 1 296.754 3.326 20 0 CGADMM CCOC(=O)CN(Cc1cccc([O-])c1Cl)CC(C)C ZINC000507488099 375707042 /nfs/dbraw/zinc/70/70/42/375707042.db2.gz TUNMKICIORMLNI-UHFFFAOYSA-N -1 1 299.798 3.067 20 0 CGADMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)C(F)(F)F ZINC000336179539 375752998 /nfs/dbraw/zinc/75/29/98/375752998.db2.gz OKXPYGKQWPJHBM-YFKPBYRVSA-N -1 1 276.189 3.247 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC(C(F)(F)F)C1 ZINC000336595749 375861046 /nfs/dbraw/zinc/86/10/46/375861046.db2.gz XUYLDHIAFZHYFQ-UHFFFAOYSA-N -1 1 295.260 3.180 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000193543579 375892940 /nfs/dbraw/zinc/89/29/40/375892940.db2.gz ACUUXULIYQLDCX-ZETCQYMHSA-N -1 1 298.314 3.328 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H](C)c2cc(F)ccc2F)n1 ZINC000193547223 375892997 /nfs/dbraw/zinc/89/29/97/375892997.db2.gz BOJTVFSKDYVDAQ-ZETCQYMHSA-N -1 1 298.314 3.328 20 0 CGADMM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(C)(C)C ZINC000520663664 375869574 /nfs/dbraw/zinc/86/95/74/375869574.db2.gz MWQFZWDPUWNVKB-LLVKDONJSA-N -1 1 291.363 3.068 20 0 CGADMM CC1(C)CC[C@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000336719697 375919111 /nfs/dbraw/zinc/91/91/11/375919111.db2.gz VZYAEOFVBLJUCJ-LLVKDONJSA-N -1 1 298.180 3.073 20 0 CGADMM O=C(Nc1ccccn1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338337720 376338338 /nfs/dbraw/zinc/33/83/38/376338338.db2.gz XUJXAKCJDLUWNB-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1coc(C2CCCC2)n1 ZINC000338820185 376546169 /nfs/dbraw/zinc/54/61/69/376546169.db2.gz SFIFHJCBTQRRTH-UHFFFAOYSA-N -1 1 290.294 3.429 20 0 CGADMM CC[C@@H](F)CN1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000563456529 377470167 /nfs/dbraw/zinc/47/01/67/377470167.db2.gz WAFMGFLMAPLJBN-HZSPNIEDSA-N -1 1 265.328 3.025 20 0 CGADMM Cc1cnc(SCC2CCC(F)(F)CC2)[n-]c1=O ZINC000514617152 249183332 /nfs/dbraw/zinc/18/33/32/249183332.db2.gz SRHMPDHVJGWZHZ-UHFFFAOYSA-N -1 1 274.336 3.408 20 0 CGADMM CCC[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000518546711 249282656 /nfs/dbraw/zinc/28/26/56/249282656.db2.gz NNQNQDMHPDPZPK-LBPRGKRZSA-N -1 1 265.353 3.298 20 0 CGADMM O=C([O-])CC1(CN(Cc2c(F)cccc2F)C2CC2)CC1 ZINC000573927462 377596212 /nfs/dbraw/zinc/59/62/12/377596212.db2.gz NNMPZFDQQFVRPV-UHFFFAOYSA-N -1 1 295.329 3.184 20 0 CGADMM Cc1ccccc1[C@@H](C(=O)[O-])N(C)CCOc1ccccc1 ZINC000574524950 377675077 /nfs/dbraw/zinc/67/50/77/377675077.db2.gz LMQDUMYJXNPIOX-KRWDZBQOSA-N -1 1 299.370 3.132 20 0 CGADMM CC(C)CO[C@@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000579792976 378194218 /nfs/dbraw/zinc/19/42/18/378194218.db2.gz IFFRBXOJQTWWQP-VIFPVBQESA-N -1 1 280.299 3.315 20 0 CGADMM CCc1nc(SCc2ccn(C(C)C)n2)[n-]c(=O)c1C ZINC000580726088 378253072 /nfs/dbraw/zinc/25/30/72/378253072.db2.gz JBLQWLARLYIQKL-UHFFFAOYSA-N -1 1 292.408 3.123 20 0 CGADMM C[C@@H]1[C@H](C)SCCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC000582306485 378301699 /nfs/dbraw/zinc/30/16/99/378301699.db2.gz QVMPRHKKAWFADD-ZJUUUORDSA-N -1 1 299.823 3.364 20 0 CGADMM C[C@H]1CN(C(=O)c2c(F)ccc([O-])c2F)c2ccccc21 ZINC000347909409 378727895 /nfs/dbraw/zinc/72/78/95/378727895.db2.gz MASBIPBUYMOFGU-VIFPVBQESA-N -1 1 289.281 3.434 20 0 CGADMM O=C([N-]OCCC(F)(F)F)[C@H]1CCCc2ccccc21 ZINC000275213438 378949678 /nfs/dbraw/zinc/94/96/78/378949678.db2.gz LFPMETAFQOLXOG-LBPRGKRZSA-N -1 1 287.281 3.107 20 0 CGADMM O=c1cc(C(F)F)nc(SCC[C@@H]2CCCCO2)[n-]1 ZINC000567968558 322186475 /nfs/dbraw/zinc/18/64/75/322186475.db2.gz OTTBBZLBSLIUHY-QMMMGPOBSA-N -1 1 290.335 3.171 20 0 CGADMM CC[C@@H]1CC[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)O1 ZINC000278320842 379345384 /nfs/dbraw/zinc/34/53/84/379345384.db2.gz YXYCSBBZIWTJKA-BXKDBHETSA-N -1 1 278.283 3.211 20 0 CGADMM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccccc1[O-] ZINC000373605962 379305034 /nfs/dbraw/zinc/30/50/34/379305034.db2.gz BQTAGHSUYINSCJ-UHFFFAOYSA-N -1 1 293.326 3.343 20 0 CGADMM COc1cc(-c2nc([C@H]3C[C@H]3C)no2)cc(Cl)c1[O-] ZINC000350605244 379571952 /nfs/dbraw/zinc/57/19/52/379571952.db2.gz ZKRHGTUUGJUHFA-SVRRBLITSA-N -1 1 280.711 3.228 20 0 CGADMM O=C(N=c1[n-]sc2ccccc21)N1CC[C@H]2CCC[C@H]21 ZINC000640338687 379769979 /nfs/dbraw/zinc/76/99/79/379769979.db2.gz GDMFIDBPCRBVAE-ZYHUDNBSSA-N -1 1 287.388 3.125 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C(C)(C)C1 ZINC000380371580 379864279 /nfs/dbraw/zinc/86/42/79/379864279.db2.gz DIUJYKGNBGNJLO-VIFPVBQESA-N -1 1 267.756 3.306 20 0 CGADMM CCCN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000282432802 379920171 /nfs/dbraw/zinc/92/01/71/379920171.db2.gz HUMUBQLPRKBHPL-UHFFFAOYSA-N -1 1 278.739 3.076 20 0 CGADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(F)cc1Cl)CC2 ZINC000405368801 379984764 /nfs/dbraw/zinc/98/47/64/379984764.db2.gz NBZMFSKLGLCHTQ-GFCCVEGCSA-N -1 1 297.757 3.166 20 0 CGADMM FC(F)(F)c1cc(SCc2nn[n-]n2)ccc1Cl ZINC000353169632 380151662 /nfs/dbraw/zinc/15/16/62/380151662.db2.gz GPWDIRABNFBEGK-UHFFFAOYSA-N -1 1 294.689 3.164 20 0 CGADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1CC12CCCC2 ZINC000355184390 380615044 /nfs/dbraw/zinc/61/50/44/380615044.db2.gz WOBUDMLJZSICDZ-JTQLQIEISA-N -1 1 287.388 3.079 20 0 CGADMM CCC[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000360002195 381404916 /nfs/dbraw/zinc/40/49/16/381404916.db2.gz AGUKWJWPEVELMW-AAEUAGOBSA-N -1 1 285.347 3.157 20 0 CGADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000360661744 381609402 /nfs/dbraw/zinc/60/94/02/381609402.db2.gz CBDWDSIYSXQHJL-HZMBPMFUSA-N -1 1 251.301 3.152 20 0 CGADMM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ncccc2[O-])C1 ZINC000286347389 542392463 /nfs/dbraw/zinc/39/24/63/542392463.db2.gz MIJGRUMPRZLDAB-TZMCWYRMSA-N -1 1 282.343 3.011 20 0 CGADMM C[C@@H]1CN(Cc2cccc(Cl)c2F)CC[C@H]1C(=O)[O-] ZINC000302493753 572517714 /nfs/dbraw/zinc/51/77/14/572517714.db2.gz JOYNKFBMUDGENZ-MWLCHTKSSA-N -1 1 285.746 3.022 20 0 CGADMM O=C([N-][C@H](C1CC1)C(F)(F)F)C(F)(F)c1ccccc1 ZINC000288686094 197145067 /nfs/dbraw/zinc/14/50/67/197145067.db2.gz VWSPFOPTZCUBDM-SNVBAGLBSA-N -1 1 293.235 3.236 20 0 CGADMM CC(C)CC[C@@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000288383298 197064168 /nfs/dbraw/zinc/06/41/68/197064168.db2.gz YGOWRXJFCHWILA-AWEZNQCLSA-N -1 1 289.375 3.002 20 0 CGADMM CC(C)C[C@@H](C)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000312165627 542432896 /nfs/dbraw/zinc/43/28/96/542432896.db2.gz CEHWVGNRQZKDKL-CZUORRHYSA-N -1 1 275.392 3.353 20 0 CGADMM CCc1cccc(NC(=O)c2cncc([O-])c2)c1CC ZINC000355303187 542566464 /nfs/dbraw/zinc/56/64/64/542566464.db2.gz FZLXRBLVOLNNAY-UHFFFAOYSA-N -1 1 270.332 3.164 20 0 CGADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000048652329 392007501 /nfs/dbraw/zinc/00/75/01/392007501.db2.gz AHVSAXNBBAODGU-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000070158021 392176869 /nfs/dbraw/zinc/17/68/69/392176869.db2.gz SFSOEKNPWGOIJE-SNVBAGLBSA-N -1 1 267.756 3.308 20 0 CGADMM O=c1[n-]c(-c2ccc(O)cc2Cl)nc2ccc(O)cc12 ZINC000438871637 542662918 /nfs/dbraw/zinc/66/29/18/542662918.db2.gz BBPOSFGLRREFTJ-UHFFFAOYSA-N -1 1 288.690 3.067 20 0 CGADMM Cc1cccc2nc(-c3ccc4c(c3)ncn4C)[n-]c(=O)c12 ZINC000446995470 542669959 /nfs/dbraw/zinc/66/99/59/542669959.db2.gz YDOILBKOEOHCOD-UHFFFAOYSA-N -1 1 290.326 3.198 20 0 CGADMM COc1cc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000153549448 392521196 /nfs/dbraw/zinc/52/11/96/392521196.db2.gz AODUZWLQRDPYFH-MWLCHTKSSA-N -1 1 297.782 3.363 20 0 CGADMM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000298089963 392572099 /nfs/dbraw/zinc/57/20/99/392572099.db2.gz ROUBJGPZWDOGEI-SWLSCSKDSA-N -1 1 299.370 3.185 20 0 CGADMM CC(C)n1cc(NCc2cccc([O-])c2Cl)cn1 ZINC000328267445 392674227 /nfs/dbraw/zinc/67/42/27/392674227.db2.gz WFOVGVZHFSPJJL-UHFFFAOYSA-N -1 1 265.744 3.435 20 0 CGADMM CO[C@H](C)c1nc(=NCC[C@@H]2CCCC[C@@H]2C)s[n-]1 ZINC000509554618 392759523 /nfs/dbraw/zinc/75/95/23/392759523.db2.gz RAYHDJLUTMKJPK-TUAOUCFPSA-N -1 1 283.441 3.296 20 0 CGADMM CCCC[C@H](N=c1nc([C@H](C)OC)[n-]s1)C1CCC1 ZINC000509578141 392759790 /nfs/dbraw/zinc/75/97/90/392759790.db2.gz FKCMLDIRJYIQBL-JQWIXIFHSA-N -1 1 283.441 3.438 20 0 CGADMM CCc1cc(=O)n(-c2cc(Cl)cc(Cl)c2)[n-]1 ZINC000380487253 392904304 /nfs/dbraw/zinc/90/43/04/392904304.db2.gz CREUYYIINZULRW-UHFFFAOYSA-N -1 1 257.120 3.496 20 0 CGADMM Cc1cc(C)cc(-c2nc3cccnc3c(=O)[n-]2)c1 ZINC000491822050 542718211 /nfs/dbraw/zinc/71/82/11/542718211.db2.gz TZQBTSDWBGFESF-UHFFFAOYSA-N -1 1 251.289 3.014 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H]2CCc3ccc(F)cc32)n1 ZINC000195057665 392954277 /nfs/dbraw/zinc/95/42/77/392954277.db2.gz QYJDTWVYGPBITK-CYBMUJFWSA-N -1 1 290.363 3.251 20 0 CGADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cncc([O-])c2)CC1 ZINC000546721427 393069512 /nfs/dbraw/zinc/06/95/12/393069512.db2.gz YNPLWGPLPHYZJR-TZMCWYRMSA-N -1 1 276.380 3.122 20 0 CGADMM CCOc1cc(-c2noc(C3(F)CC3)n2)cc(Cl)c1[O-] ZINC000351369576 393187337 /nfs/dbraw/zinc/18/73/37/393187337.db2.gz WSFUEVLGHPYPMH-UHFFFAOYSA-N -1 1 298.701 3.453 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC000416285674 393292192 /nfs/dbraw/zinc/29/21/92/393292192.db2.gz HTTCUDCQIHHBBG-CHWSQXEVSA-N -1 1 290.407 3.382 20 0 CGADMM CC1CCC(c2nc3cc(F)c([O-])cc3c(=O)[nH]2)CC1 ZINC000416409509 393309277 /nfs/dbraw/zinc/30/92/77/393309277.db2.gz BMKPULNCFNESGL-UHFFFAOYSA-N -1 1 276.311 3.062 20 0 CGADMM Cc1nc(C2CC2)ccc1C(=O)Nc1c([O-])cccc1F ZINC000649310295 393398782 /nfs/dbraw/zinc/39/87/82/393398782.db2.gz AJBIMMLJRRBPCT-UHFFFAOYSA-N -1 1 286.306 3.364 20 0 CGADMM O=C(N[C@H](c1ccccc1)C(F)F)c1ccc([O-])c(F)c1 ZINC000647101147 393339393 /nfs/dbraw/zinc/33/93/93/393339393.db2.gz UMCMTRIWWDBNIO-CYBMUJFWSA-N -1 1 295.260 3.268 20 0 CGADMM COc1cc(-c2nc(CC(C)C)no2)cc(Cl)c1[O-] ZINC000443081397 393743141 /nfs/dbraw/zinc/74/31/41/393743141.db2.gz VMIXRLJRPALZDC-UHFFFAOYSA-N -1 1 282.727 3.303 20 0 CGADMM O=C(/C=C/c1ccncc1)Nc1ccc([O-])c(Cl)c1 ZINC000492523288 393748340 /nfs/dbraw/zinc/74/83/40/393748340.db2.gz SISQBYFITVXKLG-DAFODLJHSA-N -1 1 274.707 3.093 20 0 CGADMM [O-]c1ccc(-c2noc(Cc3ccoc3)n2)c(Cl)c1 ZINC000445448010 393794923 /nfs/dbraw/zinc/79/49/23/393794923.db2.gz KCBDLCAOZXZCHQ-UHFFFAOYSA-N -1 1 276.679 3.279 20 0 CGADMM CCO[C@H](Cc1nc(-c2ccc([O-])cc2F)no1)C(C)C ZINC000445455807 393796652 /nfs/dbraw/zinc/79/66/52/393796652.db2.gz GLBOAQMVNALYET-CYBMUJFWSA-N -1 1 294.326 3.185 20 0 CGADMM Cc1cc(C)c(-c2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000445477800 393798679 /nfs/dbraw/zinc/79/86/79/393798679.db2.gz ATNMBVGLILBFGM-UHFFFAOYSA-N -1 1 274.251 3.458 20 0 CGADMM Cc1nc(SCc2c(F)cccc2F)[n-]c(=O)c1C ZINC000502448970 393875639 /nfs/dbraw/zinc/87/56/39/393875639.db2.gz ZMBQWAUZFPWUFW-UHFFFAOYSA-N -1 1 282.315 3.370 20 0 CGADMM Oc1ccc(F)c(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1F ZINC000449532150 393885529 /nfs/dbraw/zinc/88/55/29/393885529.db2.gz CTCHMIIKYDIGEE-MEDUHNTESA-N -1 1 279.330 3.291 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])c(F)c1)[C@@H]1CC1(C)C ZINC000668029619 542960261 /nfs/dbraw/zinc/96/02/61/542960261.db2.gz AVZCDHZQYWLRPA-CMPLNLGQSA-N -1 1 265.328 3.086 20 0 CGADMM O=c1c2c([n-]n1CCCOc1ccccc1)CCCCC2 ZINC000109522698 397653629 /nfs/dbraw/zinc/65/36/29/397653629.db2.gz ACISHYDFXFSIOY-HNNXBMFYSA-N -1 1 286.375 3.234 20 0 CGADMM CSc1ccncc1[N-]C(=O)c1cc(C(C)C)no1 ZINC000674256115 543277660 /nfs/dbraw/zinc/27/76/60/543277660.db2.gz ITBCVBSGZJSLBM-UHFFFAOYSA-N -1 1 277.349 3.167 20 0 CGADMM CC1(C)CN(C(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC000675113685 543315516 /nfs/dbraw/zinc/31/55/16/543315516.db2.gz NVOCQZZFNZOYMB-UHFFFAOYSA-N -1 1 283.327 3.036 20 0 CGADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])c2ccccc21 ZINC000675148502 543317350 /nfs/dbraw/zinc/31/73/50/543317350.db2.gz VMMPJIUXZKCQGR-UHFFFAOYSA-N -1 1 285.318 3.469 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC2(CC(F)C2)C1 ZINC000677125201 543434263 /nfs/dbraw/zinc/43/42/63/543434263.db2.gz NKHRVDNIXYYQSW-UHFFFAOYSA-N -1 1 285.318 3.120 20 0 CGADMM FC(F)(F)c1nc(=N[C@H]2C[C@H]2C2CCCCC2)s[n-]1 ZINC000553077415 289207280 /nfs/dbraw/zinc/20/72/80/289207280.db2.gz JVDNLFBJIDFRTI-IUCAKERBSA-N -1 1 291.342 3.360 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCS1 ZINC000075349021 287024191 /nfs/dbraw/zinc/02/41/91/287024191.db2.gz QAQPNRBKQQKOPS-ZDUSSCGKSA-N -1 1 299.823 3.259 20 0 CGADMM CCOCc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000081958595 287078041 /nfs/dbraw/zinc/07/80/41/287078041.db2.gz ZAYQPWUNLWETRG-UHFFFAOYSA-N -1 1 289.306 3.320 20 0 CGADMM O=C(Nc1ccc(C(F)(F)F)cc1)c1cncc([O-])c1 ZINC000082333090 165172368 /nfs/dbraw/zinc/17/23/68/165172368.db2.gz PXLOUPUPORQMHW-UHFFFAOYSA-N -1 1 282.221 3.058 20 0 CGADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000336405546 287099688 /nfs/dbraw/zinc/09/96/88/287099688.db2.gz XNDSOKAZWMZHNG-MWLCHTKSSA-N -1 1 297.782 3.457 20 0 CGADMM CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc2[nH]nnc2c1 ZINC000110729237 287131762 /nfs/dbraw/zinc/13/17/62/287131762.db2.gz PJKYNPWLOFMGHA-WCQYABFASA-N -1 1 286.379 3.047 20 0 CGADMM COc1ccc(-c2nc(-c3ccccc3)no2)c([O-])c1 ZINC000111687274 287135894 /nfs/dbraw/zinc/13/58/94/287135894.db2.gz GNTPMYGUQDHKRA-UHFFFAOYSA-N -1 1 268.272 3.118 20 0 CGADMM Cc1cc([C@H](C)NC(=O)c2c([O-])cccc2F)c(C)o1 ZINC000121168763 287194267 /nfs/dbraw/zinc/19/42/67/287194267.db2.gz HLEUUFKOTFLSFL-VIFPVBQESA-N -1 1 277.295 3.232 20 0 CGADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)c1ccc(F)cc1 ZINC000123204980 287216711 /nfs/dbraw/zinc/21/67/11/287216711.db2.gz NCQHKGZUOOPUDV-LLVKDONJSA-N -1 1 288.322 3.150 20 0 CGADMM C[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000037251214 173062989 /nfs/dbraw/zinc/06/29/89/173062989.db2.gz OQESTSZUFLCJMX-GXSJLCMTSA-N -1 1 267.756 3.354 20 0 CGADMM O=C(/C=C/c1cc2ccccc2o1)[N-]O[C@@H]1CCCCO1 ZINC000128186162 287305417 /nfs/dbraw/zinc/30/54/17/287305417.db2.gz IULUCILVQSSBAC-ROJDOSBLSA-N -1 1 287.315 3.020 20 0 CGADMM Cc1ccc(O[C@H](C)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000078807109 177390931 /nfs/dbraw/zinc/39/09/31/177390931.db2.gz CWGVODQQAISXFN-LLVKDONJSA-N -1 1 289.306 3.246 20 0 CGADMM COc1ccc(Cl)cc1CN1CCC(C)(C(=O)[O-])CC1 ZINC000062844323 416486829 /nfs/dbraw/zinc/48/68/29/416486829.db2.gz QHRCZXLDGUNDNQ-UHFFFAOYSA-N -1 1 297.782 3.035 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1F ZINC000048653095 416456010 /nfs/dbraw/zinc/45/60/10/416456010.db2.gz ZTURFSHZZAPEMA-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CCN(C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCCOC1 ZINC000402717034 416547694 /nfs/dbraw/zinc/54/76/94/416547694.db2.gz VINRYNVEOMBTPX-CQSZACIVSA-N -1 1 299.370 3.187 20 0 CGADMM CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@@H](CC)CO1 ZINC000403908616 416550590 /nfs/dbraw/zinc/55/05/90/416550590.db2.gz MOOWEAQQPQBWOF-RYUDHWBXSA-N -1 1 297.782 3.075 20 0 CGADMM CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000403908612 416550678 /nfs/dbraw/zinc/55/06/78/416550678.db2.gz MOOWEAQQPQBWOF-NEPJUHHUSA-N -1 1 297.782 3.075 20 0 CGADMM CC1(NC(=O)c2cc(F)ccc2[O-])CCC(F)(F)CC1 ZINC000680238037 543693891 /nfs/dbraw/zinc/69/38/91/543693891.db2.gz PJVLROPEAKPDBA-UHFFFAOYSA-N -1 1 287.281 3.229 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(C(F)(F)F)CC1 ZINC000679644549 543653015 /nfs/dbraw/zinc/65/30/15/543653015.db2.gz QSHHXJZFLKAYSP-UHFFFAOYSA-N -1 1 279.645 3.327 20 0 CGADMM Cc1cc(C)c(NC(=O)c2ccc([O-])cc2F)cc1O ZINC000680823989 543736984 /nfs/dbraw/zinc/73/69/84/543736984.db2.gz METYHJFCLGOVKV-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM O=C(N[C@@H](c1cccs1)C1CC1)c1ccc([O-])c(F)c1 ZINC000681014434 543756558 /nfs/dbraw/zinc/75/65/58/543756558.db2.gz MLTLVZPIHNNZHQ-CQSZACIVSA-N -1 1 291.347 3.474 20 0 CGADMM COc1c(F)cc(NC(=O)c2ccc([O-])c(F)c2)cc1F ZINC000681020766 543757807 /nfs/dbraw/zinc/75/78/07/543757807.db2.gz CXMLSAAAMSMEKP-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM Cc1ccc(CN(C(=O)c2ccc([O-])c(F)c2)C2CC2)o1 ZINC000681019777 543758002 /nfs/dbraw/zinc/75/80/02/543758002.db2.gz RRRMEWGFGJSHPP-UHFFFAOYSA-N -1 1 289.306 3.238 20 0 CGADMM COc1ccc(C(=O)Nc2ccc3ncccc3c2)c([O-])c1 ZINC000130480373 287356792 /nfs/dbraw/zinc/35/67/92/287356792.db2.gz QMJFERBMECUARJ-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681046054 543760178 /nfs/dbraw/zinc/76/01/78/543760178.db2.gz FGQVPFFYDBCYHG-HWPZZCPQSA-N -1 1 285.318 3.195 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000681048611 543760603 /nfs/dbraw/zinc/76/06/03/543760603.db2.gz BWMYOZYAKOONDV-AWEZNQCLSA-N -1 1 299.345 3.236 20 0 CGADMM CC(C)(C)Cc1cc(NC(=O)c2ccc([O-])c(F)c2)n[nH]1 ZINC000681051094 543761241 /nfs/dbraw/zinc/76/12/41/543761241.db2.gz RXLWKNSUNKQHHC-UHFFFAOYSA-N -1 1 291.326 3.095 20 0 CGADMM CC[C@H](C)n1nc(NC(=O)c2ccc([O-])c(F)c2)cc1C ZINC000681065005 543762744 /nfs/dbraw/zinc/76/27/44/543762744.db2.gz ZNMCJCBFGFKSGA-VIFPVBQESA-N -1 1 291.326 3.260 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc([O-])c(F)c2)C[C@H]1C ZINC000681068508 543763143 /nfs/dbraw/zinc/76/31/43/543763143.db2.gz PRYLUWYKCLDDAM-FOGDFJRCSA-N -1 1 265.328 3.086 20 0 CGADMM CC(C)CCc1cc(NC(=O)c2ccc([O-])c(F)c2)n[nH]1 ZINC000682613436 543854251 /nfs/dbraw/zinc/85/42/51/543854251.db2.gz GJOZCVDXPQKZRA-UHFFFAOYSA-N -1 1 291.326 3.095 20 0 CGADMM CCC(=O)c1cccc(NC(=O)c2ccccc2[O-])c1 ZINC000131882946 287392105 /nfs/dbraw/zinc/39/21/05/287392105.db2.gz YECBDCOPLDCCGS-UHFFFAOYSA-N -1 1 269.300 3.237 20 0 CGADMM Cc1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000683173609 543901023 /nfs/dbraw/zinc/90/10/23/543901023.db2.gz NBUNQMUMNSWHQP-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM Cc1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)sc1C ZINC000685366356 544063489 /nfs/dbraw/zinc/06/34/89/544063489.db2.gz GSGSZMISFRYYCM-UHFFFAOYSA-N -1 1 291.307 3.322 20 0 CGADMM C[C@H]1Cc2ccccc2N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000132894225 287412942 /nfs/dbraw/zinc/41/29/42/287412942.db2.gz TUMDNAWCCDFPAG-NSHDSACASA-N -1 1 285.318 3.370 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1occc1Br ZINC000133225940 287419331 /nfs/dbraw/zinc/41/93/31/287419331.db2.gz GDRLIUKUDLDMCK-UHFFFAOYSA-N -1 1 299.124 3.153 20 0 CGADMM C[C@H](CN(Cc1cc(F)ccc1Cl)C1CC1)C(=O)[O-] ZINC000652489321 418974151 /nfs/dbraw/zinc/97/41/51/418974151.db2.gz GBEUCBXQDIOXPA-SECBINFHSA-N -1 1 285.746 3.164 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccsc2)o1 ZINC000652389791 418959293 /nfs/dbraw/zinc/95/92/93/418959293.db2.gz GUQXPIYHFQCCIL-GFCCVEGCSA-N -1 1 277.345 3.376 20 0 CGADMM CN(Cc1ccsc1)Cc1csc(C(=O)[O-])c1 ZINC000652380128 418959474 /nfs/dbraw/zinc/95/94/74/418959474.db2.gz GJYLWNFHYBCQQR-UHFFFAOYSA-N -1 1 267.375 3.140 20 0 CGADMM CC[C@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)CCS1 ZINC000652418657 418964656 /nfs/dbraw/zinc/96/46/56/418964656.db2.gz FFFJSOKTXWXGTE-NSHDSACASA-N -1 1 299.823 3.366 20 0 CGADMM CC1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC=CC1 ZINC000655227588 419031813 /nfs/dbraw/zinc/03/18/13/419031813.db2.gz WOMZVPZNXZOPEV-UHFFFAOYSA-N -1 1 285.265 3.250 20 0 CGADMM COc1cc(C(=O)NC2(C3CCC3)CC2)cc(Cl)c1[O-] ZINC000652869717 418997541 /nfs/dbraw/zinc/99/75/41/418997541.db2.gz YUPLTBDMOZMWOX-UHFFFAOYSA-N -1 1 295.766 3.117 20 0 CGADMM CC(C)[C@@H](CN[C@H](CCc1ccccc1)C(F)F)C(=O)[O-] ZINC000656097823 419140435 /nfs/dbraw/zinc/14/04/35/419140435.db2.gz BDWXNYVWORYHCA-ZIAGYGMSSA-N -1 1 299.361 3.199 20 0 CGADMM CN(Cc1nc(C(=O)[O-])co1)C1CC(C)(C)CC(C)(C)C1 ZINC000656761866 419211889 /nfs/dbraw/zinc/21/18/89/419211889.db2.gz VPUUNXLCGAPOTQ-UHFFFAOYSA-N -1 1 294.395 3.410 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cc(C3CC3)no2)n1 ZINC000657227956 419233028 /nfs/dbraw/zinc/23/30/28/419233028.db2.gz LVMPEARANOYVAJ-UHFFFAOYSA-N -1 1 291.376 3.292 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccnc2cc(F)ccc21 ZINC000662894881 419502014 /nfs/dbraw/zinc/50/20/14/419502014.db2.gz XEHMERUSWJNOAZ-MNOVXSKESA-N -1 1 288.322 3.063 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ccnc2cc(F)ccc21 ZINC000662894879 419502836 /nfs/dbraw/zinc/50/28/36/419502836.db2.gz XEHMERUSWJNOAZ-GHMZBOCLSA-N -1 1 288.322 3.063 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)C)c1 ZINC000182929583 270054378 /nfs/dbraw/zinc/05/43/78/270054378.db2.gz FITORWNVZNXUQS-UHFFFAOYSA-N -1 1 286.169 3.448 20 0 CGADMM Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H]3CCC[C@@H]3C)n2)o1 ZINC000184038700 270057121 /nfs/dbraw/zinc/05/71/21/270057121.db2.gz IAFFKCHNBXMAMV-ONGXEEELSA-N -1 1 288.351 3.138 20 0 CGADMM CC1(CNC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000223635301 270086422 /nfs/dbraw/zinc/08/64/22/270086422.db2.gz KUABYFNFOBMAQP-UHFFFAOYSA-N -1 1 255.317 3.075 20 0 CGADMM CC1(C)CCC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000227312158 270087034 /nfs/dbraw/zinc/08/70/34/270087034.db2.gz ZXNIAMOCBZOUSE-JTQLQIEISA-N -1 1 265.328 3.230 20 0 CGADMM CC(C)c1ccccc1NC(=O)c1cncc([O-])c1 ZINC000082323601 276061949 /nfs/dbraw/zinc/06/19/49/276061949.db2.gz MKMPUNSDSJSKGR-UHFFFAOYSA-N -1 1 256.305 3.163 20 0 CGADMM CC[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H](C)O1 ZINC000111644590 276659527 /nfs/dbraw/zinc/65/95/27/276659527.db2.gz VIUSROVZQWBFGY-WFASDCNBSA-N -1 1 299.370 3.185 20 0 CGADMM CCc1cc2c([n-]c(-c3ncc(C)s3)nc2=O)s1 ZINC000416411464 276685894 /nfs/dbraw/zinc/68/58/94/276685894.db2.gz JXDDVNQBOGNRMT-UHFFFAOYSA-N -1 1 277.374 3.391 20 0 CGADMM CC1(C)CCC[C@@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000294148100 278231855 /nfs/dbraw/zinc/23/18/55/278231855.db2.gz MFLQKXUKFGFYDC-SECBINFHSA-N -1 1 283.318 3.227 20 0 CGADMM CC[C@@]1(C)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000399314363 288051041 /nfs/dbraw/zinc/05/10/41/288051041.db2.gz UVRBAQPUPDOMAU-AWEZNQCLSA-N -1 1 267.756 3.308 20 0 CGADMM Cc1cnc(C(=O)N2Cc3ccccc3C(C)(C)C2)c([O-])c1 ZINC000408370565 279008794 /nfs/dbraw/zinc/00/87/94/279008794.db2.gz MSPNNLCNKJZTLR-UHFFFAOYSA-N -1 1 296.370 3.029 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1C[C@]12CCc1ccccc12 ZINC000530004611 288281082 /nfs/dbraw/zinc/28/10/82/288281082.db2.gz FDPDCHFZOOTGIQ-ACJLOTCBSA-N -1 1 297.329 3.374 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1C[C@]12CCc1ccccc12 ZINC000530004621 288281155 /nfs/dbraw/zinc/28/11/55/288281155.db2.gz FDPDCHFZOOTGIQ-UGSOOPFHSA-N -1 1 297.329 3.374 20 0 CGADMM CC1(C(=O)Nc2cccc(F)c2[O-])CCCCC1 ZINC000530006833 288282207 /nfs/dbraw/zinc/28/22/07/288282207.db2.gz VQUMOTJBIDVCHJ-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM Cc1nc(SCc2cc(F)ccc2F)[n-]c(=O)c1C ZINC000538515709 288575930 /nfs/dbraw/zinc/57/59/30/288575930.db2.gz LUPZEWFYNUAHET-UHFFFAOYSA-N -1 1 282.315 3.370 20 0 CGADMM C[C@@H]1c2cc(F)cc(F)c2CCN1CCCCC(=O)[O-] ZINC000262275529 289069583 /nfs/dbraw/zinc/06/95/83/289069583.db2.gz UPTLVTDKNYDGLS-SNVBAGLBSA-N -1 1 283.318 3.139 20 0 CGADMM C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@@H](C(=O)[O-])C1 ZINC000226445445 290215960 /nfs/dbraw/zinc/21/59/60/290215960.db2.gz JWPNUVWJDXVWIL-RKDXNWHRSA-N -1 1 288.174 3.461 20 0 CGADMM C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000563886747 322013984 /nfs/dbraw/zinc/01/39/84/322013984.db2.gz XTCUETPCXKZNFB-JTNHKYCSSA-N -1 1 281.783 3.444 20 0 CGADMM CCc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])o2)o1 ZINC000566979136 322145736 /nfs/dbraw/zinc/14/57/36/322145736.db2.gz NKKZUWXCOCNRRB-ZDUSSCGKSA-N -1 1 289.331 3.470 20 0 CGADMM CCC(C)(C)[C@H]1CCC[N@H+]1Cc1noc(C)c1C(=O)[O-] ZINC000568520581 322212450 /nfs/dbraw/zinc/21/24/50/322212450.db2.gz HIDGRFFBJJCXHV-GFCCVEGCSA-N -1 1 280.368 3.082 20 0 CGADMM O=C([O-])C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2Cl)C1 ZINC000568604895 322215053 /nfs/dbraw/zinc/21/50/53/322215053.db2.gz HFWFFTSUXOAGHD-NSHDSACASA-N -1 1 299.773 3.208 20 0 CGADMM C[C@]1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC=CCC1 ZINC000569366459 322245397 /nfs/dbraw/zinc/24/53/97/322245397.db2.gz ZUJMMWDDUHJLDK-KRWDZBQOSA-N -1 1 297.358 3.467 20 0 CGADMM FC(F)(F)c1nc(=N[C@@H]2CC[C@@H]3CCC[C@H]3C2)s[n-]1 ZINC000572507864 322340557 /nfs/dbraw/zinc/34/05/57/322340557.db2.gz FOASAEPXOGJKMA-XHNCKOQMSA-N -1 1 291.342 3.360 20 0 CGADMM Cc1cc(CNCc2cc(C(=O)[O-])co2)ccc1Cl ZINC000426688443 533705693 /nfs/dbraw/zinc/70/56/93/533705693.db2.gz QLYWXBPJOOVUBG-UHFFFAOYSA-N -1 1 279.723 3.229 20 0 CGADMM CC[C@]1(C)CCC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000192605746 335286265 /nfs/dbraw/zinc/28/62/65/335286265.db2.gz RGZMKWPYLWIZTK-SWLSCSKDSA-N -1 1 263.385 3.064 20 0 CGADMM Cc1cnc(SCCCCC2CCOCC2)[n-]c1=O ZINC000577125498 335305003 /nfs/dbraw/zinc/30/50/03/335305003.db2.gz SRRKDMKPSWOXCK-UHFFFAOYSA-N -1 1 282.409 3.180 20 0 CGADMM Cc1cnc(S[C@H](C)c2nc(C(C)(C)C)no2)[n-]c1=O ZINC000577769462 335400052 /nfs/dbraw/zinc/40/00/52/335400052.db2.gz LYUPIRXJYZVVIG-MRVPVSSYSA-N -1 1 294.380 3.024 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccncc3)n2)c(Cl)c1 ZINC000350815103 335536528 /nfs/dbraw/zinc/53/65/28/335536528.db2.gz MSHNKYOKLOGQKS-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(CC2CC(F)(F)C2)no1 ZINC000351171532 335578048 /nfs/dbraw/zinc/57/80/48/335578048.db2.gz SYHGRIDZVRPGNW-UHFFFAOYSA-N -1 1 284.237 3.169 20 0 CGADMM COC(=O)c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000380755189 336025856 /nfs/dbraw/zinc/02/58/56/336025856.db2.gz BZNGVFMPTYIZEA-UHFFFAOYSA-N -1 1 291.734 3.444 20 0 CGADMM C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000194774834 336038701 /nfs/dbraw/zinc/03/87/01/336038701.db2.gz WXSRZJZBEHVLJA-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM C[C@@H]1CC[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000381748159 336072344 /nfs/dbraw/zinc/07/23/44/336072344.db2.gz QSORLVFARWMQCS-YGRLFVJLSA-N -1 1 255.317 3.074 20 0 CGADMM CCn1ccnc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000382384319 336086811 /nfs/dbraw/zinc/08/68/11/336086811.db2.gz MFBGOHVCIQOWAC-UHFFFAOYSA-N -1 1 281.315 3.014 20 0 CGADMM CCc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])co2)o1 ZINC000581493886 336089514 /nfs/dbraw/zinc/08/95/14/336089514.db2.gz NIKHMWVIKHYNNK-CQSZACIVSA-N -1 1 289.331 3.470 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@@H]2C[C@@H]2C)c1 ZINC000581579874 336105432 /nfs/dbraw/zinc/10/54/32/336105432.db2.gz VERALIAWTLBKKA-IUCAKERBSA-N -1 1 298.180 3.448 20 0 CGADMM O=C(N[C@@H]1CC12CCCC2)c1ccc(Cl)cc1[O-] ZINC000386981988 336183467 /nfs/dbraw/zinc/18/34/67/336183467.db2.gz INJSNFOXXZAWLF-GFCCVEGCSA-N -1 1 265.740 3.108 20 0 CGADMM Cc1ccc(CCNC(=O)c2c([O-])cccc2F)c(C)c1 ZINC000436950181 533801206 /nfs/dbraw/zinc/80/12/06/533801206.db2.gz YPVAKPTWHVRRSC-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ncc(C)cc2[O-])cc1 ZINC000427452015 534114061 /nfs/dbraw/zinc/11/40/61/534114061.db2.gz YCRCBXAYPUOSIX-CQSZACIVSA-N -1 1 298.386 3.107 20 0 CGADMM C[C@@H](F)CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000436535725 534279139 /nfs/dbraw/zinc/27/91/39/534279139.db2.gz OJKWKFVCBMXQAI-SNVBAGLBSA-N -1 1 261.296 3.023 20 0 CGADMM O=C(Nc1cccc(C2CCC2)c1)C(=O)c1ccc([O-])cc1 ZINC000436655366 534338427 /nfs/dbraw/zinc/33/84/27/534338427.db2.gz LJRIPWXXZAGOJZ-UHFFFAOYSA-N -1 1 295.338 3.481 20 0 CGADMM Cc1ccc2c(c1)CCN(C(=O)c1cc(F)ccc1[O-])C2 ZINC000436994588 534409392 /nfs/dbraw/zinc/40/93/92/534409392.db2.gz NLPIAKPDNSRZCB-UHFFFAOYSA-N -1 1 285.318 3.038 20 0 CGADMM CC(C)OCCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184199660 519758390 /nfs/dbraw/zinc/75/83/90/519758390.db2.gz VKULHWKINHQFCD-UHFFFAOYSA-N -1 1 271.744 3.189 20 0 CGADMM O=C([O-])[C@@H](NCc1cccc2[nH]ccc21)c1cccs1 ZINC000426780645 534515928 /nfs/dbraw/zinc/51/59/28/534515928.db2.gz UVBTVYXNSDFPCJ-AWEZNQCLSA-N -1 1 286.356 3.145 20 0 CGADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])c1nc(C)cs1 ZINC000094122470 522525218 /nfs/dbraw/zinc/52/52/18/522525218.db2.gz WJVILYIFCMUNIS-NSHDSACASA-N -1 1 294.351 3.177 20 0 CGADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1nc(C)cs1 ZINC000094122471 522776858 /nfs/dbraw/zinc/77/68/58/522776858.db2.gz WJVILYIFCMUNIS-LLVKDONJSA-N -1 1 294.351 3.177 20 0 CGADMM O=C(N[C@H]1CCCc2occc21)c1cc(Cl)ccc1[O-] ZINC000436763776 534805959 /nfs/dbraw/zinc/80/59/59/534805959.db2.gz ZLVGWPTVAVMIBQ-LBPRGKRZSA-N -1 1 291.734 3.446 20 0 CGADMM CC(C)(CC(F)F)C(=O)Nc1ccc([O-])c(F)c1F ZINC000412396231 526978769 /nfs/dbraw/zinc/97/87/69/526978769.db2.gz BHYLZKLBOFBHSO-UHFFFAOYSA-N -1 1 279.233 3.290 20 0 CGADMM CC(C)[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCS1 ZINC000175462183 527840153 /nfs/dbraw/zinc/84/01/53/527840153.db2.gz NYGCNJISVXBESU-CYBMUJFWSA-N -1 1 299.823 3.259 20 0 CGADMM CC(C)CN(C(=O)C(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436706202 527891799 /nfs/dbraw/zinc/89/17/99/527891799.db2.gz BQVWRKANDXKCOK-UHFFFAOYSA-N -1 1 297.354 3.264 20 0 CGADMM CC1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCC1 ZINC000436762463 528029584 /nfs/dbraw/zinc/02/95/84/528029584.db2.gz FBUMYZOBHFPJRU-UHFFFAOYSA-N -1 1 273.254 3.083 20 0 CGADMM CC(C)c1nnc([N-]C(=O)c2c(F)cccc2F)s1 ZINC000004072391 528458254 /nfs/dbraw/zinc/45/82/54/528458254.db2.gz BJWCLNKXVWMVMK-UHFFFAOYSA-N -1 1 283.303 3.192 20 0 CGADMM CC(C)Cc1c[nH]c(C(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC000412403777 528637266 /nfs/dbraw/zinc/63/72/66/528637266.db2.gz QORLDQWVWWZXHQ-UHFFFAOYSA-N -1 1 294.301 3.449 20 0 CGADMM CCCCOc1ccc(C(=O)Nc2nccs2)c([O-])c1 ZINC000436970389 528668475 /nfs/dbraw/zinc/66/84/75/528668475.db2.gz FBFOETVMUBDGFD-UHFFFAOYSA-N -1 1 292.360 3.280 20 0 CGADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(F)cc2[O-])CCO1 ZINC000359358821 528758721 /nfs/dbraw/zinc/75/87/21/528758721.db2.gz IYDVXFUYBNEHPQ-NHYWBVRUSA-N -1 1 295.354 3.311 20 0 CGADMM CCCOc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000192698146 528774426 /nfs/dbraw/zinc/77/44/26/528774426.db2.gz DIMGUOZICFMGKA-UHFFFAOYSA-N -1 1 287.315 3.139 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)CCS1 ZINC000743788701 572683630 /nfs/dbraw/zinc/68/36/30/572683630.db2.gz NRHUMZFPPAZZAS-LBPRGKRZSA-N -1 1 299.823 3.259 20 0 CGADMM CC[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000736921075 572825025 /nfs/dbraw/zinc/82/50/25/572825025.db2.gz VPBYSLZWXASSFL-CYBMUJFWSA-N -1 1 277.295 3.358 20 0 CGADMM CC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cn1 ZINC000820284937 598212383 /nfs/dbraw/zinc/21/23/83/598212383.db2.gz IOYYKUGCGNDGEM-CQSZACIVSA-N -1 1 288.322 3.160 20 0 CGADMM Cn1cccc1[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000833059516 601119133 /nfs/dbraw/zinc/11/91/33/601119133.db2.gz PNBUZCZCKMEFAX-AWEZNQCLSA-N -1 1 288.347 3.044 20 0 CGADMM Cc1cc(CN2C[C@@H](C)[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC000832882520 601179470 /nfs/dbraw/zinc/17/94/70/601179470.db2.gz JQPZCQAGXBTNHA-IUODEOHRSA-N -1 1 285.343 3.479 20 0 CGADMM CC(C)Cc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000756286681 601560073 /nfs/dbraw/zinc/56/00/73/601560073.db2.gz UJMJZBIGHPWNEZ-UHFFFAOYSA-N -1 1 287.359 3.466 20 0 CGADMM Cc1[n-]n(-c2nccc3sccc32)c(=O)c1C(C)C ZINC000899348618 620652929 /nfs/dbraw/zinc/65/29/29/620652929.db2.gz FPPXKZRTVUVPPW-LBPRGKRZSA-N -1 1 273.361 3.291 20 0 CGADMM CC[C@@](C)(NCc1ccc(C(=O)[O-])s1)c1nccs1 ZINC000828693287 601957748 /nfs/dbraw/zinc/95/77/48/601957748.db2.gz TZUZCKNBLAFARK-CYBMUJFWSA-N -1 1 296.417 3.318 20 0 CGADMM Cc1cccc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)c1Cl ZINC000899362615 620669372 /nfs/dbraw/zinc/66/93/72/620669372.db2.gz YJEMWSJJSDIIPD-QPUJVOFHSA-N -1 1 262.740 3.397 20 0 CGADMM O=C([O-])c1ccc(CN[C@@H]2CCCc3sccc32)o1 ZINC000071396295 604329505 /nfs/dbraw/zinc/32/95/05/604329505.db2.gz ZJRMSHVVRWRACF-LLVKDONJSA-N -1 1 277.345 3.207 20 0 CGADMM CN(CC(=O)[O-])Cc1ccc(-c2ccccc2F)s1 ZINC000833691868 604540520 /nfs/dbraw/zinc/54/05/20/604540520.db2.gz UUSPPQQMEZWPCP-UHFFFAOYSA-N -1 1 279.336 3.071 20 0 CGADMM O=C([O-])c1cc(CN2CCCC[C@H]2c2ccco2)c[nH]1 ZINC000833780316 604643240 /nfs/dbraw/zinc/64/32/40/604643240.db2.gz UVRXGBWCISPQNY-ZDUSSCGKSA-N -1 1 274.320 3.033 20 0 CGADMM CCCc1c(C)[n-]n(C2CCC(F)(F)CC2)c1=O ZINC000899367296 620675665 /nfs/dbraw/zinc/67/56/65/620675665.db2.gz ZGGOXHMHACDVHF-LLVKDONJSA-N -1 1 258.312 3.199 20 0 CGADMM C[C@]1(C(=O)[O-])CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000086779254 604676001 /nfs/dbraw/zinc/67/60/01/604676001.db2.gz OVZWAKKMVPLRII-ZDUSSCGKSA-N -1 1 288.174 3.290 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cccc(O)c1 ZINC000833680780 605122467 /nfs/dbraw/zinc/12/24/67/605122467.db2.gz NVVNFMPAURSQGW-JTQLQIEISA-N -1 1 289.331 3.097 20 0 CGADMM Clc1ccc(Sc2ccccc2)nc1-c1nnn[n-]1 ZINC000822578873 606439473 /nfs/dbraw/zinc/43/94/73/606439473.db2.gz SAHJQMXURBRSDY-UHFFFAOYSA-N -1 1 289.751 3.066 20 0 CGADMM Clc1ccc(Sc2ccccc2)nc1-c1nn[n-]n1 ZINC000822578873 606439475 /nfs/dbraw/zinc/43/94/75/606439475.db2.gz SAHJQMXURBRSDY-UHFFFAOYSA-N -1 1 289.751 3.066 20 0 CGADMM Cc1ccc(Nc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826291367 608169283 /nfs/dbraw/zinc/16/92/83/608169283.db2.gz CBPWMALCGGAWJG-UHFFFAOYSA-N -1 1 292.755 3.029 20 0 CGADMM Cc1ccc(Nc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826291367 608169284 /nfs/dbraw/zinc/16/92/84/608169284.db2.gz CBPWMALCGGAWJG-UHFFFAOYSA-N -1 1 292.755 3.029 20 0 CGADMM Cc1nc(CN[C@@H](CC(=O)[O-])c2cccs2)sc1C ZINC000900032533 620748372 /nfs/dbraw/zinc/74/83/72/620748372.db2.gz IWLCWNOVHRFTNG-JTQLQIEISA-N -1 1 296.417 3.127 20 0 CGADMM CC(C)C[C@@](C)(CNCc1nc(C(C)(C)C)co1)C(=O)[O-] ZINC000900054795 620754282 /nfs/dbraw/zinc/75/42/82/620754282.db2.gz ZOMVKCSVILUEAR-INIZCTEOSA-N -1 1 296.411 3.199 20 0 CGADMM CCN(C(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1C ZINC000900254482 620774422 /nfs/dbraw/zinc/77/44/22/620774422.db2.gz KNGQQSSYXUUQJO-UHFFFAOYSA-N -1 1 297.358 3.035 20 0 CGADMM O=C([N-]CCCSCc1cccc(F)c1)C(F)(F)F ZINC000091606367 618698908 /nfs/dbraw/zinc/69/89/08/618698908.db2.gz BKVWVUGJOPCLHT-UHFFFAOYSA-N -1 1 295.301 3.128 20 0 CGADMM CCCCOC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924084451 618899913 /nfs/dbraw/zinc/89/99/13/618899913.db2.gz SKSGULRPWHBUJQ-UHFFFAOYSA-N -1 1 268.263 3.457 20 0 CGADMM O=C(NCc1cccs1)c1c([O-])cccc1Cl ZINC000049083871 619681533 /nfs/dbraw/zinc/68/15/33/619681533.db2.gz LNIOAJMHGXDLDB-UHFFFAOYSA-N -1 1 267.737 3.037 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H](O)C3CCCCC3)n2)cc1F ZINC000896223446 619966949 /nfs/dbraw/zinc/96/69/49/619966949.db2.gz FQXSYZYZUCFJMY-ZDUSSCGKSA-N -1 1 292.310 3.195 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@@H]1C ZINC000896837544 620074721 /nfs/dbraw/zinc/07/47/21/620074721.db2.gz FOOYYNOGNSFIMR-GHMZBOCLSA-N -1 1 285.343 3.122 20 0 CGADMM CCc1nc(SCC2CC(C)C2)[n-]c(=O)c1C ZINC000901564252 620931265 /nfs/dbraw/zinc/93/12/65/620931265.db2.gz RSJATTZFFLWFNG-UHFFFAOYSA-N -1 1 252.383 3.191 20 0 CGADMM O=C([O-])c1cc(CN[C@@H](c2ccccc2)C2CCC2)on1 ZINC000902226730 621200526 /nfs/dbraw/zinc/20/05/26/621200526.db2.gz ZHYUWYIBMUJWBW-HNNXBMFYSA-N -1 1 286.331 3.004 20 0 CGADMM COc1ccc(-c2nc(CCCCSC)no2)c([O-])c1 ZINC000903784922 621808221 /nfs/dbraw/zinc/80/82/21/621808221.db2.gz FYHILCZRFMETCY-UHFFFAOYSA-N -1 1 294.376 3.137 20 0 CGADMM O=C([O-])c1c(CN2CCCCCC2)occ1C(F)(F)F ZINC000903883336 621825832 /nfs/dbraw/zinc/82/58/32/621825832.db2.gz WBSSCECIMBOGKK-UHFFFAOYSA-N -1 1 291.269 3.373 20 0 CGADMM CSCC1(CC(=O)Nc2cc(F)cc(F)c2[O-])CC1 ZINC000910987209 622513175 /nfs/dbraw/zinc/51/31/75/622513175.db2.gz QFIPKWLZDRDLBU-UHFFFAOYSA-N -1 1 287.331 3.142 20 0 CGADMM Cc1noc(C)c1[C@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984728 622513358 /nfs/dbraw/zinc/51/33/58/622513358.db2.gz UAGKKQDLMIANRL-LURJTMIESA-N -1 1 296.273 3.017 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C1(C(F)F)CCCC1 ZINC000910987830 622513450 /nfs/dbraw/zinc/51/34/50/622513450.db2.gz NKLIAWIWFDKTAC-UHFFFAOYSA-N -1 1 291.244 3.434 20 0 CGADMM Cc1cc(C(=O)Nc2cc(F)cc(F)c2[O-])nn1C(C)C ZINC000910989378 622514379 /nfs/dbraw/zinc/51/43/79/622514379.db2.gz WXWUAMKGFRVKAD-UHFFFAOYSA-N -1 1 295.289 3.009 20 0 CGADMM CN(C(=O)c1ccc2ccc(O)cc2c1[O-])C(C)(C)C ZINC000911592475 622540387 /nfs/dbraw/zinc/54/03/87/622540387.db2.gz SASPLLRNCMNXEN-UHFFFAOYSA-N -1 1 273.332 3.122 20 0 CGADMM C[C@@H](CSC1CCOCC1)C(=O)c1ccc([O-])cc1 ZINC000917357320 624263096 /nfs/dbraw/zinc/26/30/96/624263096.db2.gz PNYIAHVKPVMKDQ-NSHDSACASA-N -1 1 280.389 3.123 20 0 CGADMM COc1ccc(C(=O)N(C)c2ccc(C)c(C)c2)c([O-])c1 ZINC000917805818 624313440 /nfs/dbraw/zinc/31/34/40/624313440.db2.gz KNQZLATXCGPJLL-UHFFFAOYSA-N -1 1 285.343 3.294 20 0 CGADMM O=C(NC[C@@H]1Cc2ccccc21)c1c([O-])cccc1Cl ZINC000920453183 624496318 /nfs/dbraw/zinc/49/63/18/624496318.db2.gz ANFCMTBLUHDYBO-NSHDSACASA-N -1 1 287.746 3.115 20 0 CGADMM CN1CCCc2cc(NC(=O)c3ccccc3[O-])ccc21 ZINC000920820253 624545603 /nfs/dbraw/zinc/54/56/03/624545603.db2.gz OVIBDDQJSJDOED-UHFFFAOYSA-N -1 1 282.343 3.027 20 0 CGADMM O=C(Nc1ccc(O)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000182061357 624936764 /nfs/dbraw/zinc/93/67/64/624936764.db2.gz RYOOHXFZGLJNLP-UHFFFAOYSA-N -1 1 297.232 3.369 20 0 CGADMM [O-]c1ccc(-c2noc([C@]34C[C@H]3CCCC4)n2)cc1F ZINC000866976040 625847430 /nfs/dbraw/zinc/84/74/30/625847430.db2.gz KIIPBQQBYHUWHH-MEBBXXQBSA-N -1 1 274.295 3.413 20 0 CGADMM CCC1(C(=O)OCCc2cc(C(C)=O)ccc2[O-])CCC1 ZINC000751753921 626404028 /nfs/dbraw/zinc/40/40/28/626404028.db2.gz RYZDOHLFCHGXOR-UHFFFAOYSA-N -1 1 290.359 3.261 20 0 CGADMM CON(C(=O)c1ccc2ccccc2c1[O-])C1CCCC1 ZINC000757659873 626798403 /nfs/dbraw/zinc/79/84/03/626798403.db2.gz SUKNMMOHNWEEOF-UHFFFAOYSA-N -1 1 285.343 3.492 20 0 CGADMM CCOc1cc(C(=O)NOC2CCCC2)cc(Cl)c1[O-] ZINC000762624975 627118147 /nfs/dbraw/zinc/11/81/47/627118147.db2.gz QRSZRHJEVQEAQM-UHFFFAOYSA-N -1 1 299.754 3.048 20 0 CGADMM CC(C)(C)c1ccc(CC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000765359622 627246928 /nfs/dbraw/zinc/24/69/28/627246928.db2.gz QBAMLEJTJQWMMK-MRXNPFEDSA-N -1 1 291.391 3.101 20 0 CGADMM CCc1ccc(OC(=O)c2ccc([O-])c(F)c2)c(OC)c1 ZINC000768360361 627475639 /nfs/dbraw/zinc/47/56/39/627475639.db2.gz KXEKXXMJYJXBMW-UHFFFAOYSA-N -1 1 290.290 3.322 20 0 CGADMM C[C@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769602392 627568843 /nfs/dbraw/zinc/56/88/43/627568843.db2.gz MSTMSPCIUFEFGY-GXSJLCMTSA-N -1 1 267.756 3.354 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H](F)c1ccccc1 ZINC000769613603 627569957 /nfs/dbraw/zinc/56/99/57/627569957.db2.gz PTXFABPKKLPQHR-LBPRGKRZSA-N -1 1 263.243 3.181 20 0 CGADMM CC(C)[C@@H](C)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769665785 627571938 /nfs/dbraw/zinc/57/19/38/627571938.db2.gz AOZBXWNBLCWBHD-SECBINFHSA-N -1 1 255.745 3.162 20 0 CGADMM C[C@H]1SCCN(C(=O)c2c([O-])cccc2Cl)[C@@H]1C ZINC000769880770 627586693 /nfs/dbraw/zinc/58/66/93/627586693.db2.gz DZOJEKQBEHALGD-RKDXNWHRSA-N -1 1 285.796 3.012 20 0 CGADMM CC(C)C(NC(=O)c1c([O-])cccc1Cl)C(C)C ZINC000770042481 627599763 /nfs/dbraw/zinc/59/97/63/627599763.db2.gz WOYWYABOJCBXJT-UHFFFAOYSA-N -1 1 269.772 3.456 20 0 CGADMM CC(Cl)(Cl)c1nc(-c2ccc([O-])cc2F)no1 ZINC000771211151 627690772 /nfs/dbraw/zinc/69/07/72/627690772.db2.gz LRSMHVJGRPROAK-UHFFFAOYSA-N -1 1 277.082 3.232 20 0 CGADMM CCCCC[C@H](C)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000771934836 627746603 /nfs/dbraw/zinc/74/66/03/627746603.db2.gz BFRVXLBFPYTKCY-VIFPVBQESA-N -1 1 290.454 3.007 20 0 CGADMM O=C(NOc1ccccc1)c1cc2ccccc2cc1[O-] ZINC000773474950 627888526 /nfs/dbraw/zinc/88/85/26/627888526.db2.gz YLTLWHFXWGSHHM-UHFFFAOYSA-N -1 1 279.295 3.269 20 0 CGADMM CSCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000773517299 627892771 /nfs/dbraw/zinc/89/27/71/627892771.db2.gz QBUHJSMNZADOJG-UHFFFAOYSA-N -1 1 281.160 3.219 20 0 CGADMM C[C@H](C(=O)[N-]OC1CCCCC1)c1cccc(F)c1 ZINC000777964456 628316132 /nfs/dbraw/zinc/31/61/32/628316132.db2.gz IXDXGHUIIKBTKN-NSHDSACASA-N -1 1 265.328 3.310 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cccc(OC3CCCC3)c2)S1 ZINC000874927180 634652874 /nfs/dbraw/zinc/65/28/74/634652874.db2.gz DFMXHTWKUFIDLT-LCYFTJDESA-N -1 1 289.356 3.332 20 0 CGADMM O=C([N-]CCCCCc1ccc(F)cc1)C(F)(F)F ZINC000779291279 628404628 /nfs/dbraw/zinc/40/46/28/628404628.db2.gz GULSVXKTDDLFRT-UHFFFAOYSA-N -1 1 277.261 3.217 20 0 CGADMM CCCCOc1ccccc1C=C1SC(=O)[N-]C1=O ZINC000874929294 634654387 /nfs/dbraw/zinc/65/43/87/634654387.db2.gz YJULNEBHPBDGJT-XFXZXTDPSA-N -1 1 277.345 3.189 20 0 CGADMM CCc1cccc2cc(C=C3SC(=O)[N-]C3=O)oc21 ZINC000874930241 634655137 /nfs/dbraw/zinc/65/51/37/634655137.db2.gz YPZLUIXYWOXHTM-YRNVUSSQSA-N -1 1 273.313 3.319 20 0 CGADMM Cc1ccc(F)cc1COC(=O)c1ccc([O-])cc1F ZINC000782297566 628635368 /nfs/dbraw/zinc/63/53/68/628635368.db2.gz BERDFKOMIWDVHR-UHFFFAOYSA-N -1 1 278.254 3.336 20 0 CGADMM O=C(OCc1cc(F)cc(F)c1)c1ccc([O-])cc1F ZINC000782298111 628635445 /nfs/dbraw/zinc/63/54/45/628635445.db2.gz HSBQVWNKJNZKOX-UHFFFAOYSA-N -1 1 282.217 3.167 20 0 CGADMM O=c1cc(C2CC2)nc(SCCc2cccs2)[n-]1 ZINC000787485936 629014253 /nfs/dbraw/zinc/01/42/53/629014253.db2.gz HZKHTZNQWOZNIH-UHFFFAOYSA-N -1 1 278.402 3.456 20 0 CGADMM CC(C)(C)OCCCCOC(=O)c1ccc([O-])cc1F ZINC000789077567 629102490 /nfs/dbraw/zinc/10/24/90/629102490.db2.gz AQOQIGFTOZXPRZ-UHFFFAOYSA-N -1 1 284.327 3.283 20 0 CGADMM CCCCSCCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000789930635 629174571 /nfs/dbraw/zinc/17/45/71/629174571.db2.gz XPFQDKAUAMSCIF-UHFFFAOYSA-N -1 1 288.800 3.303 20 0 CGADMM C[C@@H]1CC/C(=C\C(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000790047768 629179756 /nfs/dbraw/zinc/17/97/56/629179756.db2.gz ORXVSZCJUSUQOM-KGOFQHAKSA-N -1 1 266.728 3.126 20 0 CGADMM C/C(=C/C(=O)Nc1cccc(F)c1[O-])C(C)(C)C ZINC000863007987 629459427 /nfs/dbraw/zinc/45/94/27/629459427.db2.gz CWYXJXXRWUAUHN-HJWRWDBZSA-N -1 1 251.301 3.462 20 0 CGADMM C/C(=C\C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1)C(=O)[O-] ZINC000863471537 629581427 /nfs/dbraw/zinc/58/14/27/629581427.db2.gz VDVBYJUDQHZFCV-ASJRZHAZSA-N -1 1 295.329 3.175 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1ccccc1F ZINC000794855072 629589503 /nfs/dbraw/zinc/58/95/03/629589503.db2.gz VERSETGJGMCBJC-WDEREUQCSA-N -1 1 253.317 3.023 20 0 CGADMM C[C@@H]1CCC[C@H](C2CN(c3cc(Cl)[n-]c(=O)n3)C2)C1 ZINC000864091704 629767544 /nfs/dbraw/zinc/76/75/44/629767544.db2.gz HMJUGIMNCQXCQV-ZJUUUORDSA-N -1 1 281.787 3.098 20 0 CGADMM O=C([N-]O[C@H]1CCCCO1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000836551934 634776602 /nfs/dbraw/zinc/77/66/02/634776602.db2.gz AKNMWPSOTLIZGQ-MJBXVCDLSA-N -1 1 295.766 3.018 20 0 CGADMM CCCCCC[C@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000798158337 630027750 /nfs/dbraw/zinc/02/77/50/630027750.db2.gz XRAZDGMJNZHFME-LBPRGKRZSA-N -1 1 277.364 3.050 20 0 CGADMM COCC(C)(C)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000865373432 630082644 /nfs/dbraw/zinc/08/26/44/630082644.db2.gz UODBJNITFBAFFS-UHFFFAOYSA-N -1 1 282.409 3.133 20 0 CGADMM C[C@H](C(=O)[N-]OCC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000798993568 630133452 /nfs/dbraw/zinc/13/34/52/630133452.db2.gz MHJATJSFCYRBNO-ZETCQYMHSA-N -1 1 297.223 3.122 20 0 CGADMM CC1(C)CCC[C@@H]1OC(=O)c1ccc([O-])cc1F ZINC000799503816 630194085 /nfs/dbraw/zinc/19/40/85/630194085.db2.gz UJWMZZCQJKBSDY-LBPRGKRZSA-N -1 1 252.285 3.267 20 0 CGADMM Cc1nc(-c2cccs2)c(CC(=O)[N-]OC(C)C)s1 ZINC000836797767 634804154 /nfs/dbraw/zinc/80/41/54/634804154.db2.gz AKCPIAAKZSFGAL-UHFFFAOYSA-N -1 1 296.417 3.179 20 0 CGADMM C[C@]1(NC(=O)NCc2ccc([O-])c(Cl)c2)CC=CCC1 ZINC000876396387 634826453 /nfs/dbraw/zinc/82/64/53/634826453.db2.gz CVQSTZOOXIZJKQ-HNNXBMFYSA-N -1 1 294.782 3.344 20 0 CGADMM CC(C)[C@H]1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876394353 634826851 /nfs/dbraw/zinc/82/68/51/634826851.db2.gz UHYGTGDFXSXVIA-LBPRGKRZSA-N -1 1 296.798 3.233 20 0 CGADMM CC[C@H](C)N(CC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876399434 634827408 /nfs/dbraw/zinc/82/74/08/634827408.db2.gz ODMAKGASMAPYGU-JTQLQIEISA-N -1 1 284.787 3.376 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000876400275 634827549 /nfs/dbraw/zinc/82/75/49/634827549.db2.gz XWMLRUMWDZVTAZ-AAEUAGOBSA-N -1 1 294.782 3.130 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(O)ccc1Cl ZINC000811397664 631062824 /nfs/dbraw/zinc/06/28/24/631062824.db2.gz QRBHNUZKYHVGLA-UHFFFAOYSA-N -1 1 299.113 3.052 20 0 CGADMM CCN(CC)[C@@H](C(=O)[N-]Oc1ccccc1)c1ccccc1 ZINC000816684881 632042845 /nfs/dbraw/zinc/04/28/45/632042845.db2.gz UTDMLOLXGHVWBN-QGZVFWFLSA-N -1 1 298.386 3.180 20 0 CGADMM O=C([O-])CC[C@@H]1CCCCN1Cc1cnc(Cl)s1 ZINC000818329413 632307637 /nfs/dbraw/zinc/30/76/37/632307637.db2.gz WWGQIBAGPGLUNT-VIFPVBQESA-N -1 1 288.800 3.016 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C(F)=C1CCC1 ZINC000819560536 632486403 /nfs/dbraw/zinc/48/64/03/632486403.db2.gz WYIFTTAGGVVCBR-UHFFFAOYSA-N -1 1 257.211 3.016 20 0 CGADMM COc1cnc(C=Cc2ccc3c(c2)CC(C)(C)O3)[n-]c1=O ZINC000821007075 632710680 /nfs/dbraw/zinc/71/06/80/632710680.db2.gz BUUNBKPNKUQCPG-ALCCZGGFSA-N -1 1 298.342 3.075 20 0 CGADMM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)F)o1)C(C)(C)C ZINC000866792413 633242353 /nfs/dbraw/zinc/24/23/53/633242353.db2.gz AZRCATLSMWJBRZ-MRVPVSSYSA-N -1 1 295.351 3.178 20 0 CGADMM CCC[C@H](O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000826929234 633444770 /nfs/dbraw/zinc/44/47/70/633444770.db2.gz VMKAUYSAXASWKB-ZDUSSCGKSA-N -1 1 293.750 3.298 20 0 CGADMM CC1(C)CCc2c([n-]n(Cc3ccc(F)c(F)c3)c2=O)C1 ZINC000871945698 633922826 /nfs/dbraw/zinc/92/28/26/633922826.db2.gz WJWZBWXJUSYQDR-NSHDSACASA-N -1 1 292.329 3.489 20 0 CGADMM Cc1ccccc1Cn1[n-]c2c(c1=O)CCc1ccccc1-2 ZINC000871944376 633923076 /nfs/dbraw/zinc/92/30/76/633923076.db2.gz KVDPRGVTPUIVDF-QGZVFWFLSA-N -1 1 290.366 3.304 20 0 CGADMM CCCc1[n-]n(-c2ccnc(Cl)c2)c(=O)c1CC ZINC000871953579 633925711 /nfs/dbraw/zinc/92/57/11/633925711.db2.gz VMYHWRDLQVPAFL-JTQLQIEISA-N -1 1 265.744 3.264 20 0 CGADMM Cc1c(=O)n(C[C@@H]2CCCC2(F)F)[n-]c1-c1ccccc1 ZINC000871964094 633930147 /nfs/dbraw/zinc/93/01/47/633930147.db2.gz WCBVXUABHFBBFG-YPMHNXCESA-N -1 1 292.329 3.304 20 0 CGADMM CCc1c(=O)n([C@@H]2CCOC3(CCCC3)C2)[n-]c1C(C)C ZINC000871964724 633931314 /nfs/dbraw/zinc/93/13/14/633931314.db2.gz XXBCBEGNDLGACG-ZIAGYGMSSA-N -1 1 292.423 3.359 20 0 CGADMM CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)CC)C(F)(F)F ZINC000834544278 634179962 /nfs/dbraw/zinc/17/99/62/634179962.db2.gz SZXZWVMKGYSKFW-BQBZGAKWSA-N -1 1 261.234 3.125 20 0 CGADMM C[C@H]1CC[C@@H](NC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000872979812 634226847 /nfs/dbraw/zinc/22/68/47/634226847.db2.gz MITKKRDOLHKWEY-GXSJLCMTSA-N -1 1 282.771 3.033 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000873054082 634237654 /nfs/dbraw/zinc/23/76/54/634237654.db2.gz RLDYRWXMAGZHSO-IJLUTSLNSA-N -1 1 294.782 3.033 20 0 CGADMM CC(C)[C@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000873072912 634241847 /nfs/dbraw/zinc/24/18/47/634241847.db2.gz DQZPUSSCRUYSTP-AWEZNQCLSA-N -1 1 296.798 3.279 20 0 CGADMM CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000873072913 634242049 /nfs/dbraw/zinc/24/20/49/634242049.db2.gz DQZPUSSCRUYSTP-CQSZACIVSA-N -1 1 296.798 3.279 20 0 CGADMM CC1(C)CC[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834822030 634247727 /nfs/dbraw/zinc/24/77/27/634247727.db2.gz JIDSFPCSWPWSEF-JTQLQIEISA-N -1 1 267.756 3.098 20 0 CGADMM CC[C@@H]1CCC[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821797 634247804 /nfs/dbraw/zinc/24/78/04/634247804.db2.gz GXTDHJCIVHBZBA-VXGBXAGGSA-N -1 1 281.783 3.488 20 0 CGADMM C[C@]1(C(=O)NCc2ccc([O-])c(Cl)c2)CC=CCC1 ZINC000834823382 634247926 /nfs/dbraw/zinc/24/79/26/634247926.db2.gz WTYOTSTZSVDUQC-HNNXBMFYSA-N -1 1 279.767 3.408 20 0 CGADMM CC1(C(=O)NCc2ccc([O-])c(Cl)c2)CCCC1 ZINC000834829362 634250944 /nfs/dbraw/zinc/25/09/44/634250944.db2.gz VAGMLSNCUVGVMS-UHFFFAOYSA-N -1 1 267.756 3.242 20 0 CGADMM CC(C)=CCC[C@@H](C)CC(=O)[N-]OCC(F)(F)F ZINC000843828546 635786473 /nfs/dbraw/zinc/78/64/73/635786473.db2.gz VQLNTJOLXJIVSS-SNVBAGLBSA-N -1 1 267.291 3.369 20 0 CGADMM O=C(NCC[C@@H]1CCCC1(F)F)c1c([O-])cccc1F ZINC000881582183 636150767 /nfs/dbraw/zinc/15/07/67/636150767.db2.gz CVHSEMWENWWHHE-VIFPVBQESA-N -1 1 287.281 3.087 20 0 CGADMM C[C@@H]1c2sccc2CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000882184799 636285729 /nfs/dbraw/zinc/28/57/29/636285729.db2.gz QBVQAUCGORMKKA-SECBINFHSA-N -1 1 291.347 3.352 20 0 CGADMM O=C(C[C@H]1OCc2ccccc21)[N-]OC1CCCCC1 ZINC000847771937 636443947 /nfs/dbraw/zinc/44/39/47/636443947.db2.gz KQKGSDMOQURZHL-OAHLLOKOSA-N -1 1 275.348 3.029 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cnc(Cl)c(F)c2)n1 ZINC000848434888 636576786 /nfs/dbraw/zinc/57/67/86/636576786.db2.gz MVSNSGGDLMQBAH-UHFFFAOYSA-N -1 1 299.758 3.224 20 0 CGADMM O=S(=O)([N-][C@@H]1C=CCC1)c1cc(Cl)sc1Cl ZINC000849430190 636822608 /nfs/dbraw/zinc/82/26/08/636822608.db2.gz CCSGIQJHFVXNLM-ZCFIWIBFSA-N -1 1 298.216 3.052 20 0 CGADMM CSc1ccccc1[C@@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000800083040 636923936 /nfs/dbraw/zinc/92/39/36/636923936.db2.gz OFKLAIPRHXQXDM-SSDOTTSWSA-N -1 1 295.301 3.486 20 0 CGADMM CC[C@@H]1C[C@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678097 637283551 /nfs/dbraw/zinc/28/35/51/637283551.db2.gz JELJQJSKCSUGFQ-RNFRBKRXSA-N -1 1 257.692 3.169 20 0 CGADMM C[C@@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)CC1(F)F ZINC000885680098 637284150 /nfs/dbraw/zinc/28/41/50/637284150.db2.gz LNXUJTAYPSTDIF-JTQLQIEISA-N -1 1 279.645 3.169 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1(C(F)F)CC1 ZINC000885680686 637284993 /nfs/dbraw/zinc/28/49/93/637284993.db2.gz WEAJJXAHRXUHAI-UHFFFAOYSA-N -1 1 279.645 3.169 20 0 CGADMM C/C(=C/CN1CCc2oc(-c3ccccc3)cc2C1)C(=O)[O-] ZINC000851708339 637469691 /nfs/dbraw/zinc/46/96/91/637469691.db2.gz DIRNUOTUOQYYIG-QPEQYQDCSA-N -1 1 297.354 3.336 20 0 CGADMM O=C(C[C@@H]1C=CCCC1)NCCc1c(F)cc([O-])cc1F ZINC000886266637 637473452 /nfs/dbraw/zinc/47/34/52/637473452.db2.gz SYFZZDMWKQYKFU-LLVKDONJSA-N -1 1 295.329 3.076 20 0 CGADMM [O-]c1cccc(CNCc2cc(C3CC3)no2)c1Cl ZINC000886270459 637474757 /nfs/dbraw/zinc/47/47/57/637474757.db2.gz DSVBXUUPBMQHSR-UHFFFAOYSA-N -1 1 278.739 3.201 20 0 CGADMM O=C(Nc1ccccc1SC(F)F)c1cncc([O-])c1 ZINC000111771223 637965244 /nfs/dbraw/zinc/96/52/44/637965244.db2.gz YOIIGURZQXEECJ-UHFFFAOYSA-N -1 1 296.298 3.354 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]1C1CCCC1 ZINC000889396825 638018803 /nfs/dbraw/zinc/01/88/03/638018803.db2.gz PTPHNTXPEZIBDJ-CYBMUJFWSA-N -1 1 279.767 3.450 20 0 CGADMM O=C(CC[C@H]1CCCO1)Nc1cc(F)c([O-])cc1Cl ZINC000885674112 638019000 /nfs/dbraw/zinc/01/90/00/638019000.db2.gz HQISOZMRBPFCQH-MRVPVSSYSA-N -1 1 287.718 3.082 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CC12CCC2 ZINC000885675761 638034760 /nfs/dbraw/zinc/03/47/60/638034760.db2.gz ABIZQMFFZZRFAR-ZETCQYMHSA-N -1 1 269.703 3.313 20 0 CGADMM O=C([N-]Oc1ccccc1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000854536889 638068874 /nfs/dbraw/zinc/06/88/74/638068874.db2.gz YCWULVDNXQNTCE-HUUCEWRRSA-N -1 1 259.349 3.313 20 0 CGADMM CC[C@@H](C(=O)[N-]OCC1CCC1)c1ccc(OC)cc1 ZINC000856349553 638350339 /nfs/dbraw/zinc/35/03/39/638350339.db2.gz INVOFXMAEYFEJT-OAHLLOKOSA-N -1 1 277.364 3.037 20 0 CGADMM O=C(Nc1nccn1C1CC1)c1cc2ccccc2cc1[O-] ZINC000857538694 638515360 /nfs/dbraw/zinc/51/53/60/638515360.db2.gz GBYUTGNJLFLUAN-UHFFFAOYSA-N -1 1 293.326 3.329 20 0 CGADMM CC(C)(C)[C@@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858415011 638708578 /nfs/dbraw/zinc/70/85/78/638708578.db2.gz KKWAKSFBCWHAIR-SNVBAGLBSA-N -1 1 283.803 3.488 20 0 CGADMM CCC[C@@]1(C)CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858429899 638715133 /nfs/dbraw/zinc/71/51/33/638715133.db2.gz NESNTLBFILUTNS-ZDUSSCGKSA-N -1 1 269.776 3.242 20 0 CGADMM CCC(CC)(CC)CNc1cc(Cl)[n-]c(=O)n1 ZINC000858444971 638720963 /nfs/dbraw/zinc/72/09/63/638720963.db2.gz WLLZFNGYMKHJPG-UHFFFAOYSA-N -1 1 257.765 3.464 20 0 CGADMM CC[C@@H]1CCC[C@@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858558380 638761655 /nfs/dbraw/zinc/76/16/55/638761655.db2.gz PKFNPMJHJQERLU-RKDXNWHRSA-N -1 1 255.749 3.074 20 0 CGADMM CC(C)(C)C[C@H]1CCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858565228 638762434 /nfs/dbraw/zinc/76/24/34/638762434.db2.gz JVIBPDMDQBLKKH-SECBINFHSA-N -1 1 269.776 3.098 20 0 CGADMM O=C(C[C@@H]1CCCC1(F)F)Nc1c([O-])cccc1F ZINC000935098455 639748364 /nfs/dbraw/zinc/74/83/64/639748364.db2.gz BGAFXMDNWSJBDF-QMMMGPOBSA-N -1 1 273.254 3.295 20 0 CGADMM CCc1nnc(NCc2c([O-])ccc(Cl)c2F)s1 ZINC000191511910 640315730 /nfs/dbraw/zinc/31/57/30/640315730.db2.gz XHUYIBKFSDTGST-UHFFFAOYSA-N -1 1 287.747 3.211 20 0 CGADMM CC(C)c1ccc(CNCc2ccc(C(=O)[O-])cn2)cc1 ZINC000094760588 640802260 /nfs/dbraw/zinc/80/22/60/640802260.db2.gz AXCKPASJSNWICE-UHFFFAOYSA-N -1 1 284.359 3.193 20 0 CGADMM Cc1ccc2ccc(C(=O)N(C)C[C@H]3CC3(C)C)c([O-])c2n1 ZINC001155652605 805600320 /nfs/dbraw/zinc/60/03/20/805600320.db2.gz AMUGVKYMWPFKKJ-CYBMUJFWSA-N -1 1 298.386 3.367 20 0 CGADMM COc1cc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2cc1F ZINC001250479264 805642618 /nfs/dbraw/zinc/64/26/18/805642618.db2.gz CYTFEORETDUYKW-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM COc1ccc(OC)c(-c2cc(F)cc(F)c2[O-])c1 ZINC001250614294 805726620 /nfs/dbraw/zinc/72/66/20/805726620.db2.gz PEKHWRQUQYEVLW-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM COc1ccc(-c2cc(F)cc(F)c2[O-])cc1F ZINC001250620444 805729684 /nfs/dbraw/zinc/72/96/84/805729684.db2.gz RWLOGHXVRXDYRE-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COc1ccc(-c2cc(F)c([O-])c(F)c2)cc1F ZINC001250620780 805731096 /nfs/dbraw/zinc/73/10/96/805731096.db2.gz FXQLSSNXXDCKDE-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM Cn1c2cc(F)ccc2nc1-c1cc(Cl)ncc1[O-] ZINC001251252421 805872507 /nfs/dbraw/zinc/87/25/07/805872507.db2.gz WNUXIQBXULONLO-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM CSc1cc(C(=O)Nc2ccc([O-])c(F)c2F)co1 ZINC001157811932 805877095 /nfs/dbraw/zinc/87/70/95/805877095.db2.gz ZLRYSZOVEMVIRP-UHFFFAOYSA-N -1 1 285.271 3.238 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccncc3c2)cc1 ZINC001252184282 806029796 /nfs/dbraw/zinc/02/97/96/806029796.db2.gz OTMMTVBZKRWPOK-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CCc1ccc(-c2nnc(-c3ccc(O)cc3[O-])o2)cc1 ZINC001252954185 806139869 /nfs/dbraw/zinc/13/98/69/806139869.db2.gz TUJLXAORUUGJKY-UHFFFAOYSA-N -1 1 282.299 3.377 20 0 CGADMM Cc1cccc(-c2nnc(-c3cc([O-])cnc3Cl)o2)c1 ZINC001253695480 806279855 /nfs/dbraw/zinc/27/98/55/806279855.db2.gz AKTJGHRXVPHSKR-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001161141976 806352086 /nfs/dbraw/zinc/35/20/86/806352086.db2.gz JYFCURUZHFONGO-MAUKXSAKSA-N -1 1 299.370 3.415 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C ZINC001254592217 806457404 /nfs/dbraw/zinc/45/74/04/806457404.db2.gz AYTWDQXCXVJVBG-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM [O-]c1ccc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)nn1 ZINC001254617723 806461550 /nfs/dbraw/zinc/46/15/50/806461550.db2.gz KQABXACDIJCHIL-MNOVXSKESA-N -1 1 280.287 3.064 20 0 CGADMM O=c1nc(Cl)cc(Oc2ccc(F)cc2Cl)[n-]1 ZINC001161970677 806493661 /nfs/dbraw/zinc/49/36/61/806493661.db2.gz MWOMJVUECHYZIX-UHFFFAOYSA-N -1 1 275.066 3.420 20 0 CGADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001162292645 806550086 /nfs/dbraw/zinc/55/00/86/806550086.db2.gz VLRZOFIPVJFCES-RNCFNFMXSA-N -1 1 299.317 3.204 20 0 CGADMM [O-]c1cc(-c2nnc(C3CCC3)o2)ccc1Br ZINC001255246805 806584339 /nfs/dbraw/zinc/58/43/39/806584339.db2.gz UFTQZSXKUXSSAV-UHFFFAOYSA-N -1 1 295.136 3.472 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1cccc(F)c1F ZINC000165453934 799084599 /nfs/dbraw/zinc/08/45/99/799084599.db2.gz HMMDXGLFDHQXKW-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM COc1cccc([O-])c1-c1nc(-c2ccccc2)no1 ZINC000405223225 799582515 /nfs/dbraw/zinc/58/25/15/799582515.db2.gz BQQNDKZNUKBPTE-UHFFFAOYSA-N -1 1 268.272 3.118 20 0 CGADMM Cc1ccc(CSc2ncc(C)c(=O)[n-]2)c(Cl)n1 ZINC000688568567 799751225 /nfs/dbraw/zinc/75/12/25/799751225.db2.gz MTMLQEOPIYLDHS-UHFFFAOYSA-N -1 1 281.768 3.140 20 0 CGADMM O=C([O-])[C@@H]1CCCN(Cc2csc(C(F)(F)F)c2)C1 ZINC000703286904 799921945 /nfs/dbraw/zinc/92/19/45/799921945.db2.gz YCTFGDNCSHSUNS-SECBINFHSA-N -1 1 293.310 3.064 20 0 CGADMM Cc1n[nH]c(C)c1Nc1cc([O-])c(Cl)cc1F ZINC001174215382 808905205 /nfs/dbraw/zinc/90/52/05/808905205.db2.gz RTZFIBNWZZRNLP-UHFFFAOYSA-N -1 1 255.680 3.268 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1coc2c1C(=O)CCC2 ZINC001120691632 802762815 /nfs/dbraw/zinc/76/28/15/802762815.db2.gz XVCRREQYDGVNCS-UHFFFAOYSA-N -1 1 288.303 3.162 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cnc(F)cc3C)ccc2[n-]1 ZINC001243760568 802986073 /nfs/dbraw/zinc/98/60/73/802986073.db2.gz SPSMSGTXZOSSCW-UHFFFAOYSA-N -1 1 299.305 3.249 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cnc(F)cc3C)cc2[n-]1 ZINC001243760568 802986078 /nfs/dbraw/zinc/98/60/78/802986078.db2.gz SPSMSGTXZOSSCW-UHFFFAOYSA-N -1 1 299.305 3.249 20 0 CGADMM COC(=O)[C@H](C)c1ccc(-c2c([O-])cccc2Cl)nc1 ZINC001244033120 803152016 /nfs/dbraw/zinc/15/20/16/803152016.db2.gz NXTPSMBCQQQPIU-SECBINFHSA-N -1 1 291.734 3.384 20 0 CGADMM O=C1CCc2cccc(-c3cc(F)c([O-])c(F)c3)c2N1 ZINC001244096377 803183947 /nfs/dbraw/zinc/18/39/47/803183947.db2.gz IJMMCCWKJUBMJE-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM C[C@H]1C(=O)Nc2ccc(-c3cc(F)c([O-])c(F)c3)cc21 ZINC001244097712 803185094 /nfs/dbraw/zinc/18/50/94/803185094.db2.gz YSLFSVIDGZJRTF-SSDOTTSWSA-N -1 1 275.254 3.393 20 0 CGADMM COC(=O)c1cc(-c2cc(F)c([O-])c(F)c2)ccc1OC ZINC001244097490 803185415 /nfs/dbraw/zinc/18/54/15/803185415.db2.gz PZDVUOOTRPNENM-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM [O-]c1c(F)cc(-c2cnc3[nH]cc(F)c3c2)cc1F ZINC001244097540 803185768 /nfs/dbraw/zinc/18/57/68/803185768.db2.gz QOSDHROGOQLQPD-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM [O-]c1c(F)cc(-c2cccc3cnncc32)cc1F ZINC001244098330 803186334 /nfs/dbraw/zinc/18/63/34/803186334.db2.gz ZGOLWYZYJQYTJU-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1c(F)cc(-c2cc(F)c3nccn3c2)cc1F ZINC001244098359 803186418 /nfs/dbraw/zinc/18/64/18/803186418.db2.gz FTJDESBUXRJDEI-UHFFFAOYSA-N -1 1 264.206 3.124 20 0 CGADMM [O-]c1ccc(OC(F)(F)F)cc1-c1ncccc1F ZINC001244456122 803378787 /nfs/dbraw/zinc/37/87/87/803378787.db2.gz LIKRRJXWWTWVSK-UHFFFAOYSA-N -1 1 273.185 3.492 20 0 CGADMM [O-]c1ccc(OC(F)(F)F)cc1-c1nncc2ccoc21 ZINC001244458514 803380453 /nfs/dbraw/zinc/38/04/53/803380453.db2.gz PYEJYKTYVQEXJH-UHFFFAOYSA-N -1 1 296.204 3.494 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1cc2nccc-2[n-][nH+]1 ZINC001244464659 803381323 /nfs/dbraw/zinc/38/13/23/803381323.db2.gz LHGDEXCCNHBBAC-UHFFFAOYSA-N -1 1 295.220 3.229 20 0 CGADMM CCc1cc(-c2ccc(OC(F)(F)F)cc2[O-])ncn1 ZINC001244462867 803381957 /nfs/dbraw/zinc/38/19/57/803381957.db2.gz OYTZQQLFVBLMQD-UHFFFAOYSA-N -1 1 284.237 3.310 20 0 CGADMM Cc1cc(-c2ncnc3c2ccn3C)cc(Cl)c1[O-] ZINC001244530311 803421398 /nfs/dbraw/zinc/42/13/98/803421398.db2.gz KOXNBFIDULIEIJ-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM Cc1cc(-c2cccc(N(C)C)n2)cc(Cl)c1[O-] ZINC001244530323 803421567 /nfs/dbraw/zinc/42/15/67/803421567.db2.gz KSMNQYROAWBCEF-UHFFFAOYSA-N -1 1 262.740 3.482 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncnc3cnccc32)c1F ZINC001244537976 803425726 /nfs/dbraw/zinc/42/57/26/803425726.db2.gz HUTHINJNEXGHEA-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM Cn1cnc2ccnc(-c3c(Cl)ccc([O-])c3F)c21 ZINC001244538523 803426278 /nfs/dbraw/zinc/42/62/78/803426278.db2.gz MMBCGCUDTHNNQV-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM CN1C(=O)Cc2cc(-c3c(Cl)ccc([O-])c3F)ccc21 ZINC001244539850 803428079 /nfs/dbraw/zinc/42/80/79/803428079.db2.gz KLBONWSRWZQAQH-UHFFFAOYSA-N -1 1 291.709 3.371 20 0 CGADMM O=C1Cc2c(cccc2-c2c(Cl)ccc([O-])c2F)CN1 ZINC001244541457 803429365 /nfs/dbraw/zinc/42/93/65/803429365.db2.gz CCSJGFPJKCDNLQ-UHFFFAOYSA-N -1 1 291.709 3.024 20 0 CGADMM Cc1cc(-c2cc(F)c(C(N)=O)cc2F)cc(Cl)c1[O-] ZINC001244550666 803434369 /nfs/dbraw/zinc/43/43/69/803434369.db2.gz HUANEHYQQXYXSG-UHFFFAOYSA-N -1 1 297.688 3.398 20 0 CGADMM Cc1cc(-c2cn3ncnc3cc2F)cc(Cl)c1[O-] ZINC001244553103 803434554 /nfs/dbraw/zinc/43/45/54/803434554.db2.gz FERJCEXQKHMZGG-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM O=C(NCc1c(Cl)cccc1Cl)c1ccc([O-])cn1 ZINC001136183785 803635303 /nfs/dbraw/zinc/63/53/03/803635303.db2.gz RXTLOCHPCCZMEZ-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001136488385 803645035 /nfs/dbraw/zinc/64/50/35/803645035.db2.gz MLEFWSOINIKVRC-HZSPNIEDSA-N -1 1 290.407 3.225 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])cn1)C(C)(C)c1ccccc1 ZINC001136921627 803659934 /nfs/dbraw/zinc/65/99/34/803659934.db2.gz JHFFBHWGPATNIB-INIZCTEOSA-N -1 1 298.386 3.273 20 0 CGADMM Cc1c(C(=O)[O-])cccc1-c1nccc2[nH]ccc21 ZINC001245296239 803693324 /nfs/dbraw/zinc/69/33/24/803693324.db2.gz FNIWGAAOVNKMET-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM [O-]c1cc(F)c(-c2cc3nc[nH]c3cn2)cc1Cl ZINC001245668641 803896884 /nfs/dbraw/zinc/89/68/84/803896884.db2.gz YPUWBEBVJRREBY-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM COCc1ccnc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245826774 803980799 /nfs/dbraw/zinc/98/07/99/803980799.db2.gz FXUGVVHIYULDAZ-UHFFFAOYSA-N -1 1 267.687 3.393 20 0 CGADMM CC(=O)Nc1ccc(-c2c(F)ccc([O-])c2Cl)nc1 ZINC001245830595 803983945 /nfs/dbraw/zinc/98/39/45/803983945.db2.gz SWWVRJYGXCRSGW-UHFFFAOYSA-N -1 1 280.686 3.205 20 0 CGADMM S=c1[n-]c2cc(-c3ccc4cncn4c3)ccc2o1 ZINC001245897357 804024542 /nfs/dbraw/zinc/02/45/42/804024542.db2.gz ZSPDVSCJRDDKAC-UHFFFAOYSA-N -1 1 267.313 3.431 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1ccc(OC(F)(F)F)cc1 ZINC001245952921 804087666 /nfs/dbraw/zinc/08/76/66/804087666.db2.gz JMNRFPQHSZHGDW-UHFFFAOYSA-N -1 1 298.264 3.429 20 0 CGADMM Cc1[nH]c(CN2CCc3c(C)cccc3C2)c(C)c1C(=O)[O-] ZINC001140493611 804446605 /nfs/dbraw/zinc/44/66/05/804446605.db2.gz FZOOHRWCPQBXBR-UHFFFAOYSA-N -1 1 298.386 3.196 20 0 CGADMM Cc1cccc(CC(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001140652900 804484843 /nfs/dbraw/zinc/48/48/43/804484843.db2.gz RISJXHLXIRHKST-UHFFFAOYSA-N -1 1 277.270 3.160 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3ccncc3c2)c1 ZINC001256929049 807013619 /nfs/dbraw/zinc/01/36/19/807013619.db2.gz MMBKYTTZVYADMF-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@H](F)C(F)(F)C2)cc1F ZINC001140988239 804563516 /nfs/dbraw/zinc/56/35/16/804563516.db2.gz SXGYMSSUHSYZKM-NSHDSACASA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1c(F)cc(CN2CCc3c(F)cccc3C2)cc1F ZINC001140990711 804564407 /nfs/dbraw/zinc/56/44/07/804564407.db2.gz NZLRZIZVJWKFCQ-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM Cc1ccc(F)c(C(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001142543121 804735875 /nfs/dbraw/zinc/73/58/75/804735875.db2.gz ZUDUFEQXMWELCA-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CC(C)C1(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)CCC1 ZINC001142648657 804748075 /nfs/dbraw/zinc/74/80/75/804748075.db2.gz WHSUMWKORIQVIL-UHFFFAOYSA-N -1 1 299.374 3.343 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2ccc3ncsc3c2)no1 ZINC001212480881 815036425 /nfs/dbraw/zinc/03/64/25/815036425.db2.gz OBRCUEXCSKSYLL-UHFFFAOYSA-N -1 1 296.311 3.114 20 0 CGADMM [O-]c1cc(F)c(CN2CCCCC23CC3)c(F)c1 ZINC001144559543 805006390 /nfs/dbraw/zinc/00/63/90/805006390.db2.gz NOGAWJMOZUOTNR-UHFFFAOYSA-N -1 1 253.292 3.189 20 0 CGADMM Cc1ccc(CN(C)Cc2c(F)cc([O-])cc2F)cn1 ZINC001144561704 805006890 /nfs/dbraw/zinc/00/68/90/805006890.db2.gz MIXWOOSCADPXDH-UHFFFAOYSA-N -1 1 278.302 3.006 20 0 CGADMM CN(Cc1ccccc1F)Cc1cc(F)c([O-])cc1F ZINC001144666455 805026783 /nfs/dbraw/zinc/02/67/83/805026783.db2.gz JBTNNOXRZUXUMJ-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC001144746024 805049312 /nfs/dbraw/zinc/04/93/12/805049312.db2.gz SABGTBIGTMYLRO-AAEUAGOBSA-N -1 1 279.355 3.476 20 0 CGADMM CSc1cc(C)c(C(=O)Nc2c([O-])cccc2F)o1 ZINC001146492290 805070014 /nfs/dbraw/zinc/07/00/14/805070014.db2.gz MVIOSAQWPBXKGY-UHFFFAOYSA-N -1 1 281.308 3.407 20 0 CGADMM CC[C@H](C)C[C@@H](C)NC(=O)c1cccc([O-])c1F ZINC001147861427 805154159 /nfs/dbraw/zinc/15/41/59/805154159.db2.gz QSIHZBXYHLPXFW-VHSXEESVSA-N -1 1 253.317 3.086 20 0 CGADMM CCCC[C@H](CC)CCCN(C)C(=O)c1cnncc1O ZINC001148041875 805160859 /nfs/dbraw/zinc/16/08/59/805160859.db2.gz UFRBFWMGEZHBBT-ZDUSSCGKSA-N -1 1 293.411 3.251 20 0 CGADMM CCCC[C@H](CC)CCCN(C)C(=O)c1cnncc1[O-] ZINC001148041875 805160864 /nfs/dbraw/zinc/16/08/64/805160864.db2.gz UFRBFWMGEZHBBT-ZDUSSCGKSA-N -1 1 293.411 3.251 20 0 CGADMM Cn1ccnc1NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148861749 805212910 /nfs/dbraw/zinc/21/29/10/805212910.db2.gz WLUAANBUNFNXHI-UHFFFAOYSA-N -1 1 293.326 3.045 20 0 CGADMM Cc1nonc1NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148860997 805213396 /nfs/dbraw/zinc/21/33/96/805213396.db2.gz GEFVTWPOKFVZGX-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM O=C(Nc1ccc(F)c(O)c1)c1ccc2cccnc2c1[O-] ZINC001149322740 805228406 /nfs/dbraw/zinc/22/84/06/805228406.db2.gz RACUDUKNQIPCHO-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM COc1cccc(C(=O)Cc2cccc(Cl)c2[O-])c1 ZINC001249898887 805288518 /nfs/dbraw/zinc/28/85/18/805288518.db2.gz NWKFRMQNWALACF-UHFFFAOYSA-N -1 1 276.719 3.480 20 0 CGADMM COc1cc(OC)c(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001249908424 805296930 /nfs/dbraw/zinc/29/69/30/805296930.db2.gz OMGZCHJAHWBXLS-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM CCC(CC)[C@@H](CCNC(=O)c1ccc(F)c([O-])c1)OC ZINC001151694076 805309235 /nfs/dbraw/zinc/30/92/35/805309235.db2.gz AETCHONVWQCDGD-OAHLLOKOSA-N -1 1 297.370 3.102 20 0 CGADMM Cc1nc2ccc(N)cc2n1-c1cc([O-])c(F)c(F)c1F ZINC001249962883 805330367 /nfs/dbraw/zinc/33/03/67/805330367.db2.gz OQSMRRRDGILWPJ-UHFFFAOYSA-N -1 1 293.248 3.039 20 0 CGADMM CCCc1cnc(NC(=O)c2cccc([O-])c2F)s1 ZINC001152679357 805363861 /nfs/dbraw/zinc/36/38/61/805363861.db2.gz FXFCMYICSSBOJH-UHFFFAOYSA-N -1 1 280.324 3.193 20 0 CGADMM Cc1cccc(C)c1NC(=O)Cc1ccc([O-])c(F)c1F ZINC001250008413 805364229 /nfs/dbraw/zinc/36/42/29/805364229.db2.gz ZLRXZPJXVRRTGR-UHFFFAOYSA-N -1 1 291.297 3.468 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(CCO)cc2)cc1Cl ZINC001250022590 805373520 /nfs/dbraw/zinc/37/35/20/805373520.db2.gz ODWJSPMBTRNBAH-UHFFFAOYSA-N -1 1 281.714 3.463 20 0 CGADMM Cn1nnc2cc(Nc3cc(Cl)c([O-])cc3F)ccc21 ZINC001250023865 805375040 /nfs/dbraw/zinc/37/50/40/805375040.db2.gz FQDOBIVRAMPBBO-UHFFFAOYSA-N -1 1 292.701 3.210 20 0 CGADMM O=c1cc(Nc2c(F)ccc([O-])c2Cl)cc[nH]1 ZINC001250227949 805504360 /nfs/dbraw/zinc/50/43/60/805504360.db2.gz DEAYGYLRSXUHIK-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM [O-]c1ccc(F)c(Nc2ccnnc2Cl)c1Cl ZINC001250228518 805504506 /nfs/dbraw/zinc/50/45/06/805504506.db2.gz DSOIVXKAGSPUCN-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM CCn1cc(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250228080 805504517 /nfs/dbraw/zinc/50/45/17/805504517.db2.gz KBNZWNQABINFBQ-UHFFFAOYSA-N -1 1 255.680 3.145 20 0 CGADMM [O-]c1ccc(F)c(Nc2ccnc3cccnc32)c1Cl ZINC001250230383 805506979 /nfs/dbraw/zinc/50/69/79/805506979.db2.gz WITNHSWIOXEXIZ-UHFFFAOYSA-N -1 1 289.697 3.293 20 0 CGADMM CC(C)CCc1nnc(-c2ccc([O-])cc2F)o1 ZINC001258350323 807423751 /nfs/dbraw/zinc/42/37/51/807423751.db2.gz BXVPYILTOSLPAX-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM O=S(=O)([N-][C@H](CC1CCC1)c1ccccc1)C(F)F ZINC001259964312 807695411 /nfs/dbraw/zinc/69/54/11/807695411.db2.gz LTPOTYBPWDWMGO-GFCCVEGCSA-N -1 1 289.347 3.060 20 0 CGADMM Cc1ccsc1S(=O)(=O)Nc1ccccc1[S-] ZINC001260067519 807696558 /nfs/dbraw/zinc/69/65/58/807696558.db2.gz PETQZZLXZTYOCQ-UHFFFAOYSA-N -1 1 285.415 3.146 20 0 CGADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2C)cn1 ZINC001260990981 807708720 /nfs/dbraw/zinc/70/87/20/807708720.db2.gz WTXXPHXXDYOZPJ-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM CC(C)(NC(=O)C(=O)c1ccc([O-])cc1)C1CCCCC1 ZINC001261527680 807756240 /nfs/dbraw/zinc/75/62/40/807756240.db2.gz ZDUZWIXRDCIRDN-UHFFFAOYSA-N -1 1 289.375 3.050 20 0 CGADMM CCCCCc1nnc([N-]C(=O)c2ocnc2CC)s1 ZINC001262675293 807894530 /nfs/dbraw/zinc/89/45/30/807894530.db2.gz GTOHMKAQCHUBSK-UHFFFAOYSA-N -1 1 294.380 3.074 20 0 CGADMM O=c1ccn(-c2ccc(Nc3ccc(F)cc3)cc2)[n-]1 ZINC001173800213 808675659 /nfs/dbraw/zinc/67/56/59/808675659.db2.gz FQKMYNWJOKCKRI-UHFFFAOYSA-N -1 1 269.279 3.461 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccnc2[nH]ccc21 ZINC001174410654 809004129 /nfs/dbraw/zinc/00/41/29/809004129.db2.gz LCPNVYWAHFYFGJ-UHFFFAOYSA-N -1 1 260.684 3.012 20 0 CGADMM CCc1cccc(-c2noc(-c3nccc(OC)c3[O-])n2)c1 ZINC001213326471 815265328 /nfs/dbraw/zinc/26/53/28/815265328.db2.gz QFLFWPXPLLRCJX-UHFFFAOYSA-N -1 1 297.314 3.075 20 0 CGADMM [O-]c1cc(F)cnc1Nc1c(F)ccc(F)c1F ZINC001175028771 809245270 /nfs/dbraw/zinc/24/52/70/809245270.db2.gz XJWCUVBGAOIQSK-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM Cc1nnc([N-]c2cc(F)cc(OCC(C)C)c2)o1 ZINC001175058501 809255061 /nfs/dbraw/zinc/25/50/61/809255061.db2.gz DDMNIKHDLWSYLW-UHFFFAOYSA-N -1 1 265.288 3.296 20 0 CGADMM COc1ncc(C)cc1Nc1c([O-])cc(F)cc1F ZINC001175336266 809361490 /nfs/dbraw/zinc/36/14/90/809361490.db2.gz MTLZMVMEBUVKEG-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM C[S@@](=O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001175481882 809423375 /nfs/dbraw/zinc/42/33/75/809423375.db2.gz HSHBCMDQCYNBRJ-LJQANCHMSA-N -1 1 283.299 3.151 20 0 CGADMM CCOc1ncc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001175556883 809448932 /nfs/dbraw/zinc/44/89/32/809448932.db2.gz FGTCINHFNBSDRX-UHFFFAOYSA-N -1 1 283.690 3.117 20 0 CGADMM CN1CCC=C(Nc2ccc(Br)cc2[S-])C1 ZINC001175577522 809458962 /nfs/dbraw/zinc/45/89/62/809458962.db2.gz BHYKNPHAHNAZKP-UHFFFAOYSA-N -1 1 299.237 3.369 20 0 CGADMM CC[C@H](C)CN(CC)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001294314650 809465974 /nfs/dbraw/zinc/46/59/74/809465974.db2.gz RCJPNLMDOPJRPP-NSHDSACASA-N -1 1 277.364 3.021 20 0 CGADMM Cn1cc2ccc(Nc3cc(F)c([O-])cc3F)cc2n1 ZINC001175617748 809476099 /nfs/dbraw/zinc/47/60/99/809476099.db2.gz GHVYWLCMWLLNBR-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM CCNc1cccnc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001295294915 809484752 /nfs/dbraw/zinc/48/47/52/809484752.db2.gz HLLPLQVGMLWCCR-UHFFFAOYSA-N -1 1 291.738 3.125 20 0 CGADMM CCc1ncsc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001295225160 809484980 /nfs/dbraw/zinc/48/49/80/809484980.db2.gz PVKNFWMGOQJFOM-UHFFFAOYSA-N -1 1 296.779 3.246 20 0 CGADMM CC(C)[C@H]1CCCCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC001295677899 809491398 /nfs/dbraw/zinc/49/13/98/809491398.db2.gz YJKVPZQNDMMIRL-OAHLLOKOSA-N -1 1 289.375 3.002 20 0 CGADMM COc1cc(Cl)ccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001296754609 809508870 /nfs/dbraw/zinc/50/88/70/809508870.db2.gz CWCCOZPEHUGQNO-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CC[C@@H](NC(=O)c1cccc([O-])c1F)[C@@H]1CC1(C)C ZINC001299550192 809551989 /nfs/dbraw/zinc/55/19/89/809551989.db2.gz IBLLFQHHUPRSSJ-WDEREUQCSA-N -1 1 265.328 3.086 20 0 CGADMM CC[C@@H](CCc1ccccc1)NC(=O)c1ncc(C)cc1[O-] ZINC001300850366 809574959 /nfs/dbraw/zinc/57/49/59/809574959.db2.gz YVBVYFZVLPMSBI-HNNXBMFYSA-N -1 1 298.386 3.237 20 0 CGADMM O=C(Nc1cc(F)ccc1NC1CC1)c1ccccc1[O-] ZINC001302088660 809590178 /nfs/dbraw/zinc/59/01/78/809590178.db2.gz PNVIISZEAMKNLH-UHFFFAOYSA-N -1 1 286.306 3.358 20 0 CGADMM COc1ccc(Nc2ccc(F)c(F)c2[O-])cc1O ZINC001176260945 809658325 /nfs/dbraw/zinc/65/83/25/809658325.db2.gz RBLPNIQQEGJLEF-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cc(F)nc(F)c2)c1F ZINC001176663812 809738143 /nfs/dbraw/zinc/73/81/43/809738143.db2.gz IWQDTPRNXSXDIU-UHFFFAOYSA-N -1 1 276.164 3.226 20 0 CGADMM Nc1cccc2c1ccn2-c1c(F)cc(F)c([O-])c1F ZINC001176671486 809739337 /nfs/dbraw/zinc/73/93/37/809739337.db2.gz FWEKANSNISBHFW-UHFFFAOYSA-N -1 1 278.233 3.336 20 0 CGADMM O=C(NC[C@H]1CCC=CCCC1)c1c([O-])cccc1F ZINC001180307939 809991129 /nfs/dbraw/zinc/99/11/29/809991129.db2.gz UMGOIYZMFDBUKX-LBPRGKRZSA-N -1 1 277.339 3.398 20 0 CGADMM O=C(NCc1cccc(F)c1)Nc1cc([O-])c(F)cc1F ZINC001185825547 810294753 /nfs/dbraw/zinc/29/47/53/810294753.db2.gz AUUXLRWUPBQUKI-UHFFFAOYSA-N -1 1 296.248 3.131 20 0 CGADMM O=C(Nc1ccccc1-c1ncc[nH]1)c1ccc([O-])cc1F ZINC001186328500 810328751 /nfs/dbraw/zinc/32/87/51/810328751.db2.gz DMDJKNUEOLTTEM-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1c(F)cc(CO)cc1F ZINC001214101636 815368619 /nfs/dbraw/zinc/36/86/19/815368619.db2.gz OSZPORAYLJFPRH-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cc(F)c[nH]1 ZINC001188491038 810485680 /nfs/dbraw/zinc/48/56/80/810485680.db2.gz IRYRGCOBTPRPIK-UHFFFAOYSA-N -1 1 288.200 3.131 20 0 CGADMM Cc1cnc(SCc2ccccc2CF)[n-]c1=O ZINC001189399198 810568201 /nfs/dbraw/zinc/56/82/01/810568201.db2.gz GWXXMBUOZBJBQG-UHFFFAOYSA-N -1 1 264.325 3.252 20 0 CGADMM CC(=O)c1ccc(C)cc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191529445 810723015 /nfs/dbraw/zinc/72/30/15/810723015.db2.gz GXUFKZCQPJBXTD-UHFFFAOYSA-N -1 1 295.404 3.130 20 0 CGADMM CC1(C)CCC(NC(=O)c2cc([O-])cc(F)c2F)CC1 ZINC001192679424 810814767 /nfs/dbraw/zinc/81/47/67/810814767.db2.gz VCBRXSQAXHZRAO-UHFFFAOYSA-N -1 1 283.318 3.369 20 0 CGADMM O=C(NCCC1=CCCCC1)c1cc([O-])cc(F)c1F ZINC001192678838 810815028 /nfs/dbraw/zinc/81/50/28/810815028.db2.gz LWQZBXNGXAJQHN-UHFFFAOYSA-N -1 1 281.302 3.291 20 0 CGADMM COCOc1ccc(C)c([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001214356976 815401194 /nfs/dbraw/zinc/40/11/94/815401194.db2.gz OHSDFEOKWNUVRS-UHFFFAOYSA-N -1 1 291.351 3.402 20 0 CGADMM Cc1cnc(Nc2cc(F)c([O-])c(Cl)c2)nc1C ZINC001214477244 815415012 /nfs/dbraw/zinc/41/50/12/815415012.db2.gz BNMOATMYBHSWAI-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM [O-]c1c(F)cc(Nc2noc3cnccc32)cc1Cl ZINC001214482891 815416563 /nfs/dbraw/zinc/41/65/63/815416563.db2.gz UCAQWSSVGWQKKA-UHFFFAOYSA-N -1 1 279.658 3.465 20 0 CGADMM CC(C)(C)COC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001194390757 811066609 /nfs/dbraw/zinc/06/66/09/811066609.db2.gz CWPAPBYTFHPBKU-UHFFFAOYSA-N -1 1 259.252 3.265 20 0 CGADMM COc1ccc(OC(=O)Nc2c([O-])cccc2F)cc1 ZINC001194533123 811086077 /nfs/dbraw/zinc/08/60/77/811086077.db2.gz MSPIQHRPKRVDQA-UHFFFAOYSA-N -1 1 277.251 3.151 20 0 CGADMM O=C(Nc1ncccc1[O-])Oc1ccccc1C(F)(F)F ZINC001195167732 811221691 /nfs/dbraw/zinc/22/16/91/811221691.db2.gz GMTSBYFAAMWYGY-UHFFFAOYSA-N -1 1 298.220 3.417 20 0 CGADMM COc1cc([N-]C(=O)c2cc(Cl)c(Cl)s2)no1 ZINC001195169230 811222037 /nfs/dbraw/zinc/22/20/37/811222037.db2.gz HXEQCGZRANRRMB-UHFFFAOYSA-N -1 1 293.131 3.304 20 0 CGADMM COc1ccccc1OC(=O)Nc1ccc(F)cc1[O-] ZINC001195262738 811233795 /nfs/dbraw/zinc/23/37/95/811233795.db2.gz XTVJIVMYRMHENR-UHFFFAOYSA-N -1 1 277.251 3.151 20 0 CGADMM [O-]c1cc(NC(=S)NCc2ccccc2)c(F)cc1F ZINC001195627697 811271437 /nfs/dbraw/zinc/27/14/37/811271437.db2.gz XYBHDKPDJGNWPS-UHFFFAOYSA-N -1 1 294.326 3.157 20 0 CGADMM [O-]c1cnc(Cl)cc1NC(=S)NC1CCCCC1 ZINC001200643789 811724772 /nfs/dbraw/zinc/72/47/72/811724772.db2.gz LTAYJDWINBYXCP-UHFFFAOYSA-N -1 1 285.800 3.060 20 0 CGADMM CC(C)Nc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1 ZINC001201498126 811867489 /nfs/dbraw/zinc/86/74/89/811867489.db2.gz SWVAKYCOTNWNIK-UHFFFAOYSA-N -1 1 282.347 3.134 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])Nc1c(F)cccc1F ZINC001202042067 812003113 /nfs/dbraw/zinc/00/31/13/812003113.db2.gz LXQFNHBWASSLRN-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cc(F)ccn3)no2)c(Cl)c1 ZINC001215345821 815507851 /nfs/dbraw/zinc/50/78/51/815507851.db2.gz MFCMHYCADRXRKV-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM COc1ccc(C)cc1NC(=O)Nc1cccc(F)c1[O-] ZINC001202870351 812191268 /nfs/dbraw/zinc/19/12/68/812191268.db2.gz VJSKXAXYIZRKIA-UHFFFAOYSA-N -1 1 290.294 3.492 20 0 CGADMM CNc1ccc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001203456812 812364763 /nfs/dbraw/zinc/36/47/63/812364763.db2.gz YLGPYFKATWAUNE-UHFFFAOYSA-N -1 1 267.691 3.365 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cc2n[nH]cc2c(F)c1 ZINC001215554894 815533216 /nfs/dbraw/zinc/53/32/16/815533216.db2.gz FKRGOBNXPSVBKK-UHFFFAOYSA-N -1 1 278.674 3.200 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cc2[nH]ncc2c(F)c1 ZINC001215554894 815533219 /nfs/dbraw/zinc/53/32/19/815533219.db2.gz FKRGOBNXPSVBKK-UHFFFAOYSA-N -1 1 278.674 3.200 20 0 CGADMM O=C1CCc2cc(Nc3cc(F)c([O-])cc3F)ccc2N1 ZINC001215573330 815538761 /nfs/dbraw/zinc/53/87/61/815538761.db2.gz FPFJTXVYMSSCSF-UHFFFAOYSA-N -1 1 290.269 3.299 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3c(c2)[C@@H](O)CC3)cc1F ZINC001215576600 815540002 /nfs/dbraw/zinc/54/00/02/815540002.db2.gz DWGBUPDIODLCQD-AWEZNQCLSA-N -1 1 277.270 3.394 20 0 CGADMM Cc1ccc(OC(C)C)cc1-n1[n-]c(=O)c2cc(N)ccc21 ZINC001215585082 815542632 /nfs/dbraw/zinc/54/26/32/815542632.db2.gz YJITYAYKARQNAV-UHFFFAOYSA-N -1 1 297.358 3.409 20 0 CGADMM O=C([O-])c1c(F)ccc(-c2cc3nc[nH]c3cc2F)c1F ZINC001205114346 812872311 /nfs/dbraw/zinc/87/23/11/812872311.db2.gz BYKGVYDGFPJNHU-UHFFFAOYSA-N -1 1 292.216 3.345 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cncc4ccccc43)no2)nn1 ZINC001205299361 812939139 /nfs/dbraw/zinc/93/91/39/812939139.db2.gz RYUVWNCRQXECPI-UHFFFAOYSA-N -1 1 291.270 3.008 20 0 CGADMM C[C@H](O)c1cc(NCc2ccc([O-])c(F)c2F)ccc1F ZINC001205734406 813064227 /nfs/dbraw/zinc/06/42/27/813064227.db2.gz BJFCSJFFBTZDIG-QMMMGPOBSA-N -1 1 297.276 3.475 20 0 CGADMM [O-]c1ccc(CN2CCCC[C@@H]2c2cc[nH]n2)c(F)c1F ZINC001205756248 813068072 /nfs/dbraw/zinc/06/80/72/813068072.db2.gz UTLCWCQVNRRKJC-GFCCVEGCSA-N -1 1 293.317 3.121 20 0 CGADMM CCc1cncc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001209221932 813972833 /nfs/dbraw/zinc/97/28/33/813972833.db2.gz VESSPOYDZNVIJF-UHFFFAOYSA-N -1 1 250.248 3.371 20 0 CGADMM [O-]c1cc(Nc2ccc(F)c(CO)c2)cc(F)c1F ZINC001209877903 814183439 /nfs/dbraw/zinc/18/34/39/814183439.db2.gz CHNNVLVALFBYEY-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM C=Cc1ccccc1Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001209945884 814208063 /nfs/dbraw/zinc/20/80/63/814208063.db2.gz ZBISZBHARCDPKG-UHFFFAOYSA-N -1 1 289.356 3.182 20 0 CGADMM CO[C@H](C)c1cccc(-n2[n-]c(=O)c3ccc(N)cc32)c1 ZINC001209954329 814211557 /nfs/dbraw/zinc/21/15/57/814211557.db2.gz JUOPPMNWVUFBDR-SNVBAGLBSA-N -1 1 283.331 3.021 20 0 CGADMM Cc1cc(Nc2cc3ccc([O-])cc3oc2=O)ccc1O ZINC001209975910 814226474 /nfs/dbraw/zinc/22/64/74/814226474.db2.gz ZBLHFHJPPVHUBK-UHFFFAOYSA-N -1 1 283.283 3.256 20 0 CGADMM Cn1ccc(Nc2c(Cl)ccc([O-])c2Cl)n1 ZINC001210352557 814417451 /nfs/dbraw/zinc/41/74/51/814417451.db2.gz CMRQZEZQOOIYSZ-UHFFFAOYSA-N -1 1 258.108 3.176 20 0 CGADMM Cc1nc(-c2noc(-c3ccc(F)c([O-])c3)n2)ccc1F ZINC001215843036 815612232 /nfs/dbraw/zinc/61/22/32/815612232.db2.gz XMKVGVJPHOUEGD-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM CC(C)n1nccc1Nc1c([O-])cc(F)cc1F ZINC001210519912 814505157 /nfs/dbraw/zinc/50/51/57/814505157.db2.gz MCLLTOADRJDDNF-UHFFFAOYSA-N -1 1 253.252 3.191 20 0 CGADMM Cc1oncc1[N-]c1cc(CCc2ccccc2)no1 ZINC001210579097 814539847 /nfs/dbraw/zinc/53/98/47/814539847.db2.gz NYSIQLBJJVZRDW-UHFFFAOYSA-N -1 1 269.304 3.500 20 0 CGADMM C[C@@H](O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001210649286 814572352 /nfs/dbraw/zinc/57/23/52/814572352.db2.gz SNECJRKGMMUAPX-MRVPVSSYSA-N -1 1 265.259 3.467 20 0 CGADMM Cc1ccc(CO)cc1Nc1c([O-])cc(F)cc1F ZINC001210679356 814582477 /nfs/dbraw/zinc/58/24/77/814582477.db2.gz TYRATRQSTNUBCX-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM Cc1ccc(CO)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001210681677 814583937 /nfs/dbraw/zinc/58/39/37/814583937.db2.gz SCTLIWIPFMJPBQ-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM [O-]c1cccc(-c2ncnc3cccnc32)c1Cl ZINC001242799180 823135908 /nfs/dbraw/zinc/13/59/08/823135908.db2.gz XWUDMLICRQEXJR-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM COCOc1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242797654 823135483 /nfs/dbraw/zinc/13/54/83/823135483.db2.gz LIXSZTDJRKMETE-UHFFFAOYSA-N -1 1 265.696 3.090 20 0 CGADMM COC(=O)c1cc(F)cnc1-c1cccc([O-])c1Cl ZINC001242799105 823135745 /nfs/dbraw/zinc/13/57/45/823135745.db2.gz UIYCUCGCZZQTGA-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM [O-]c1cccc(-c2ncnc3cnccc32)c1Cl ZINC001242796910 823135228 /nfs/dbraw/zinc/13/52/28/823135228.db2.gz CDMUFAHSSGYALY-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM CC(C)Oc1cc([N-]c2noc(C(C)(C)C)n2)ccn1 ZINC001215765387 815581615 /nfs/dbraw/zinc/58/16/15/815581615.db2.gz WYUMIDJFTIQYIN-UHFFFAOYSA-N -1 1 276.340 3.293 20 0 CGADMM CC(C)Oc1nccnc1-c1cccc([O-])c1Cl ZINC001242800636 823136719 /nfs/dbraw/zinc/13/67/19/823136719.db2.gz JVMGMBXWRLKVPY-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM C[C@H]1Oc2ccc(-c3cccc([O-])c3Cl)cc2NC1=O ZINC001242799812 823136848 /nfs/dbraw/zinc/13/68/48/823136848.db2.gz DRNLKTBVOMJEMB-MRVPVSSYSA-N -1 1 289.718 3.432 20 0 CGADMM Cc1nc2ccc(-c3cccc([O-])c3Cl)cn2n1 ZINC001242800645 823136621 /nfs/dbraw/zinc/13/66/21/823136621.db2.gz PCVKAOHARKFZLB-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM COC(=O)c1ccc([N-]c2nnc(C(C)C)o2)cc1C ZINC001211170079 814840873 /nfs/dbraw/zinc/84/08/73/814840873.db2.gz YIVSBBUMMJTHRH-UHFFFAOYSA-N -1 1 275.308 3.032 20 0 CGADMM COCCOc1cncc(-c2cccc([O-])c2Cl)c1 ZINC001242802777 823137872 /nfs/dbraw/zinc/13/78/72/823137872.db2.gz IFOZMMVFQBGKMT-UHFFFAOYSA-N -1 1 279.723 3.133 20 0 CGADMM Cn1ccc2cc(-c3cc(F)c([O-])cc3F)cnc21 ZINC001211350536 814883626 /nfs/dbraw/zinc/88/36/26/814883626.db2.gz RZHGVTUDSNUNCZ-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM [O-]c1cc(F)c(-c2cnc3ncccc3c2)cc1F ZINC001211350943 814884688 /nfs/dbraw/zinc/88/46/88/814884688.db2.gz ZPGHWNMECCDXKA-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CC(C)n1cc(-c2cc(F)c([O-])cc2F)ccc1=O ZINC001211359433 814885578 /nfs/dbraw/zinc/88/55/78/814885578.db2.gz HFPKYJFSUCWEPH-UHFFFAOYSA-N -1 1 265.259 3.080 20 0 CGADMM Cc1ccc(Nc2cnc3cccc(C)n23)cc1C(=O)[O-] ZINC001211599495 814915050 /nfs/dbraw/zinc/91/50/50/814915050.db2.gz NOSKKBGPERZNJG-UHFFFAOYSA-N -1 1 281.315 3.393 20 0 CGADMM Cc1nc(-c2noc(-c3ccc([O-])cc3F)n2)ccc1F ZINC001215830670 815608854 /nfs/dbraw/zinc/60/88/54/815608854.db2.gz CWXJQXCSDDOYEB-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM CCn1ncc2cc([N-]c3nnc(-c4ccco4)o3)ccc21 ZINC001216588863 815867285 /nfs/dbraw/zinc/86/72/85/815867285.db2.gz PXAXDXGVETUAPK-UHFFFAOYSA-N -1 1 295.302 3.443 20 0 CGADMM Cc1cncc(-c2noc(-c3c(F)ccc([O-])c3F)n2)c1 ZINC001216920663 815901777 /nfs/dbraw/zinc/90/17/77/815901777.db2.gz UKLZSEKGVAFPDU-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM COc1c(C(=O)[O-])cccc1-c1cc2nc[nH]c2c(C)c1 ZINC001242922478 823173173 /nfs/dbraw/zinc/17/31/73/823173173.db2.gz FZEOGXJCYWONPM-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM [O-]c1cc(OC2CCC(O)CC2)c(Cl)cc1Cl ZINC001218366193 816180420 /nfs/dbraw/zinc/18/04/20/816180420.db2.gz AAHADYZDUGIFHU-UHFFFAOYSA-N -1 1 277.147 3.381 20 0 CGADMM Clc1cc(Cl)cc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001222593218 816473413 /nfs/dbraw/zinc/47/34/13/816473413.db2.gz GYAOBOFXNMEKRZ-UHFFFAOYSA-N -1 1 292.129 3.236 20 0 CGADMM Clc1cc(Cl)cc(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001222593218 816473418 /nfs/dbraw/zinc/47/34/18/816473418.db2.gz GYAOBOFXNMEKRZ-UHFFFAOYSA-N -1 1 292.129 3.236 20 0 CGADMM C[C@H](OCC[P@](=O)([O-])O)c1ccc2ccccc2c1 ZINC001224605949 816833292 /nfs/dbraw/zinc/83/32/92/816833292.db2.gz PGLUGTCINFWCBV-NSHDSACASA-N -1 1 280.260 3.095 20 0 CGADMM CC[C@H](OCCCC[P@](=O)([O-])O)C1CCCCC1 ZINC001225019125 816934037 /nfs/dbraw/zinc/93/40/37/816934037.db2.gz RYRBFRREMLQDMW-ZDUSSCGKSA-N -1 1 278.329 3.320 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H](C)c3ccncc3)c12 ZINC001226487400 817373222 /nfs/dbraw/zinc/37/32/22/817373222.db2.gz WWMJSIYRHSCMPD-NSHDSACASA-N -1 1 297.310 3.342 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H]3CCC(F)(F)C3)c12 ZINC001226492597 817375458 /nfs/dbraw/zinc/37/54/58/817375458.db2.gz ZRBKJYDGXNVGBF-JTQLQIEISA-N -1 1 296.269 3.374 20 0 CGADMM C[C@H](Oc1[n-]c(=S)ncc1F)c1cccc(F)c1F ZINC001227385613 817636566 /nfs/dbraw/zinc/63/65/66/817636566.db2.gz KKDIQSGVBHUIPU-LURJTMIESA-N -1 1 286.278 3.323 20 0 CGADMM CSc1nc(O[C@@H](C)c2ccccc2C)cc(=O)[n-]1 ZINC001228090883 817808481 /nfs/dbraw/zinc/80/84/81/817808481.db2.gz PTMKBOLHIWOJOG-JTQLQIEISA-N -1 1 276.361 3.353 20 0 CGADMM CSc1nc(O[C@@H](C)c2ccc(C)cc2)cc(=O)[n-]1 ZINC001228095273 817811520 /nfs/dbraw/zinc/81/15/20/817811520.db2.gz QNSRPXFPJBILDX-JTQLQIEISA-N -1 1 276.361 3.353 20 0 CGADMM O=C1CCN(Cc2ccc(Cl)c([O-])c2)[C@@H]2CCCC[C@@H]12 ZINC001231733453 818162258 /nfs/dbraw/zinc/16/22/58/818162258.db2.gz UWOAAXVVIRBVOV-TZMCWYRMSA-N -1 1 293.794 3.379 20 0 CGADMM C[C@]1(F)CCN(Cc2cccc([O-])c2Cl)C[C@@H]1F ZINC001232784874 818439230 /nfs/dbraw/zinc/43/92/30/818439230.db2.gz XFORQBGESOTTMZ-AAEUAGOBSA-N -1 1 275.726 3.318 20 0 CGADMM [O-]c1cccc(CN2CCC[C@@H]2c2ncccn2)c1Cl ZINC001232790686 818443506 /nfs/dbraw/zinc/44/35/06/818443506.db2.gz WCVCINVNKINUIE-GFCCVEGCSA-N -1 1 289.766 3.173 20 0 CGADMM [O-]c1c(F)ccc(CN2CC[C@H](C(F)(F)F)C2)c1F ZINC001232934253 818476095 /nfs/dbraw/zinc/47/60/95/818476095.db2.gz DAGNWVBCNFWEEJ-QMMMGPOBSA-N -1 1 281.224 3.055 20 0 CGADMM C[C@H]1c2cccn2CCN1Cc1ccc(F)c([O-])c1F ZINC001232937951 818477672 /nfs/dbraw/zinc/47/76/72/818477672.db2.gz XDTDWIFWJFGTCI-JTQLQIEISA-N -1 1 278.302 3.049 20 0 CGADMM [O-]c1ccc(-c2ncnc3c2CCCCC3)c(F)c1F ZINC001243338269 823352929 /nfs/dbraw/zinc/35/29/29/823352929.db2.gz DVZYKAXHWZNHOC-UHFFFAOYSA-N -1 1 276.286 3.396 20 0 CGADMM COC(=O)c1cccc(-c2ccc([O-])c(F)c2F)c1C ZINC001243340381 823353645 /nfs/dbraw/zinc/35/36/45/823353645.db2.gz WSBHCIGNNIWQCR-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM COCOc1ccc(OC)cc1-c1ccc([O-])c(F)c1F ZINC001243340586 823354154 /nfs/dbraw/zinc/35/41/54/823354154.db2.gz FCSMHAOHLLRGMW-UHFFFAOYSA-N -1 1 296.269 3.329 20 0 CGADMM CC(=O)Nc1ccccc1-c1ccc([O-])c(F)c1F ZINC001243342657 823356820 /nfs/dbraw/zinc/35/68/20/823356820.db2.gz NLSVJIZKFVRGFJ-UHFFFAOYSA-N -1 1 263.243 3.296 20 0 CGADMM Cn1cnc2cc(-c3ccc([O-])c(F)c3F)ccc21 ZINC001243342765 823357024 /nfs/dbraw/zinc/35/70/24/823357024.db2.gz SWVAPRHNCQCQPB-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM COC(=O)c1cc(-c2ccc([O-])c(F)c2F)ccc1F ZINC001243342404 823357527 /nfs/dbraw/zinc/35/75/27/823357527.db2.gz MPQRVPJCNRGRJK-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COc1ncc2cc[nH]c2c1-c1ccc([O-])c(F)c1F ZINC001243343223 823359590 /nfs/dbraw/zinc/35/95/90/823359590.db2.gz SVUCQCIOKULHHW-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM Cc1cc(-c2ccc([O-])c(F)c2F)cn2ccnc12 ZINC001243342917 823359739 /nfs/dbraw/zinc/35/97/39/823359739.db2.gz PRPKDRUKJHTEHO-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM O=C1CC[C@H](c2ccc(-c3ccc([O-])c(F)c3F)cc2)N1 ZINC001243344948 823359922 /nfs/dbraw/zinc/35/99/22/823359922.db2.gz KAXBMZMFUQFPJZ-GFCCVEGCSA-N -1 1 289.281 3.289 20 0 CGADMM CC[C@H]1CCCC[C@@H]1Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234611183 818891190 /nfs/dbraw/zinc/89/11/90/818891190.db2.gz ZXLWDRVPSCMDRY-CABZTGNLSA-N -1 1 297.326 3.061 20 0 CGADMM O=C([O-])C=Cc1ccc(-c2cc3nc[nH]c3cc2F)cc1 ZINC001235669194 819133613 /nfs/dbraw/zinc/13/36/13/819133613.db2.gz DFBOCRNYNPLMNF-ZZXKWVIFSA-N -1 1 282.274 3.467 20 0 CGADMM O=C([O-])c1c(Cl)ccc(-c2cc3nc[nH]c3cn2)c1F ZINC001236143846 819344261 /nfs/dbraw/zinc/34/42/61/819344261.db2.gz NOBLWAJBYQNTHV-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM Cc1ccc(F)c(-c2cc(CC(C)C)ncn2)c1[O-] ZINC001236393716 819448694 /nfs/dbraw/zinc/44/86/94/819448694.db2.gz UWRHEZRPTRBEIR-UHFFFAOYSA-N -1 1 260.312 3.495 20 0 CGADMM Cc1[nH]c2ncnc(-c3c(F)ccc(C)c3[O-])c2c1C ZINC001236394310 819449169 /nfs/dbraw/zinc/44/91/69/819449169.db2.gz WKARWLGXMKXSRR-UHFFFAOYSA-N -1 1 271.295 3.395 20 0 CGADMM Cc1ccc(F)c(-c2ccc(N3CCCCC3)nn2)c1[O-] ZINC001236394735 819449723 /nfs/dbraw/zinc/44/97/23/819449723.db2.gz ZSLVJVFFZPSICB-UHFFFAOYSA-N -1 1 287.338 3.287 20 0 CGADMM COC(=O)[C@@H](C)c1ccc(-c2c(F)ccc(C)c2[O-])nc1 ZINC001236404187 819452985 /nfs/dbraw/zinc/45/29/85/819452985.db2.gz XESDDWREASCIMR-JTQLQIEISA-N -1 1 289.306 3.178 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccnc(N2CCCC2)c1 ZINC001243503595 823422514 /nfs/dbraw/zinc/42/25/14/823422514.db2.gz HLDQKRKDLAUXEZ-UHFFFAOYSA-N -1 1 276.286 3.333 20 0 CGADMM CC1(C)CNc2cc(-c3cc(F)cc(F)c3[O-])cnc21 ZINC001243506848 823424744 /nfs/dbraw/zinc/42/47/44/823424744.db2.gz LVLNQSIOCJEJDU-UHFFFAOYSA-N -1 1 276.286 3.436 20 0 CGADMM COc1ncnc2ccc(-c3cc(F)cc(F)c3[O-])cc21 ZINC001243505461 823423268 /nfs/dbraw/zinc/42/32/68/823423268.db2.gz ZGXGOPLZKHEVNT-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM CC(C)n1cc(-c2cc(F)cc(F)c2[O-])ccc1=O ZINC001243504993 823423384 /nfs/dbraw/zinc/42/33/84/823423384.db2.gz DGHBEPUWHPOHOK-UHFFFAOYSA-N -1 1 265.259 3.080 20 0 CGADMM COC1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c([O-])cc1F ZINC001238149205 819943643 /nfs/dbraw/zinc/94/36/43/819943643.db2.gz HPNHAPCBSPMRED-FOSCPWQOSA-N -1 1 299.773 3.327 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3c(C)ccnc3F)cc2[n-]1 ZINC001243551406 823442007 /nfs/dbraw/zinc/44/20/07/823442007.db2.gz VYAGVSIUCKYFTD-UHFFFAOYSA-N -1 1 299.305 3.249 20 0 CGADMM CCOC(=O)c1nc2cc(-c3c(C)ccnc3F)ccc2[n-]1 ZINC001243551406 823442013 /nfs/dbraw/zinc/44/20/13/823442013.db2.gz VYAGVSIUCKYFTD-UHFFFAOYSA-N -1 1 299.305 3.249 20 0 CGADMM [O-]c1cc(-c2ncc3c(n2)CCCC3)ccc1Cl ZINC001243579126 823453075 /nfs/dbraw/zinc/45/30/75/823453075.db2.gz PBKDEQTWUFSHMA-UHFFFAOYSA-N -1 1 260.724 3.381 20 0 CGADMM O=c1c(-c2ccc(Cl)c([O-])c2)cccn1-c1ccccn1 ZINC001243581485 823454293 /nfs/dbraw/zinc/45/42/93/823454293.db2.gz GOWOSRDWRPKVAH-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM [O-]c1cc(-c2cnc(OCC3CC3)cn2)ccc1Cl ZINC001243582354 823454366 /nfs/dbraw/zinc/45/43/66/823454366.db2.gz PYPMIDKGGJGTEN-UHFFFAOYSA-N -1 1 276.723 3.291 20 0 CGADMM COC(=O)c1cncc(-c2ccc(Cl)c([O-])c2)c1C ZINC001243582977 823454721 /nfs/dbraw/zinc/45/47/21/823454721.db2.gz GJPKYCMZORKFRZ-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Cc1cc(C(N)=O)cc(C)c1-c1ccc(Cl)c([O-])c1 ZINC001243583376 823455047 /nfs/dbraw/zinc/45/50/47/823455047.db2.gz MZQJKEWEJPLLGU-UHFFFAOYSA-N -1 1 275.735 3.428 20 0 CGADMM COc1cc2nccn2cc1-c1ccc(Cl)c([O-])c1 ZINC001243584350 823455355 /nfs/dbraw/zinc/45/53/55/823455355.db2.gz ORFSUOLHLFCCHO-UHFFFAOYSA-N -1 1 274.707 3.369 20 0 CGADMM CCOC(=O)c1ccncc1-c1ccc(Cl)c([O-])c1 ZINC001243584126 823455478 /nfs/dbraw/zinc/45/54/78/823455478.db2.gz RDZLYSCINALNQB-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM O=[P@@]([O-])(O)c1ccc(-c2csc3ccccc23)cc1 ZINC001238895085 820151443 /nfs/dbraw/zinc/15/14/43/820151443.db2.gz VPGANRGVZHONOA-UHFFFAOYSA-N -1 1 290.280 3.371 20 0 CGADMM O=[P@]([O-])(O)c1ccc(-c2csc3ccccc23)cc1 ZINC001238895085 820151446 /nfs/dbraw/zinc/15/14/46/820151446.db2.gz VPGANRGVZHONOA-UHFFFAOYSA-N -1 1 290.280 3.371 20 0 CGADMM Cc1cc(-c2ccc(C(F)(F)F)cc2[O-])nc(C)n1 ZINC001243605110 823464210 /nfs/dbraw/zinc/46/42/10/823464210.db2.gz RYIMDEJTJOBVIN-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM COc1ccc2ncnc(-c3cc(F)ccc3[O-])c2c1 ZINC001240693317 821248820 /nfs/dbraw/zinc/24/88/20/821248820.db2.gz MQOUTSURLJLVPD-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM [O-]c1ccc(F)cc1-c1ccc(-c2ccco2)nn1 ZINC001240695415 821250563 /nfs/dbraw/zinc/25/05/63/821250563.db2.gz KOCYVFOVLYOJPV-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM [O-]c1ccc(F)cc1-c1ncnc2c1SCCC2 ZINC001240695388 821250845 /nfs/dbraw/zinc/25/08/45/821250845.db2.gz JEMNYGHSKCAQFB-UHFFFAOYSA-N -1 1 262.309 3.027 20 0 CGADMM Cc1cc(C(F)(F)F)c(-c2cc(F)ccc2[O-])nn1 ZINC001240695211 821250936 /nfs/dbraw/zinc/25/09/36/821250936.db2.gz FLHGTQJSWGYZOH-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(CC2CC2)nc2[nH]ccc21 ZINC001240696690 821253577 /nfs/dbraw/zinc/25/35/77/821253577.db2.gz WHDFXDQXUUTQLP-UHFFFAOYSA-N -1 1 283.306 3.374 20 0 CGADMM CSc1ccnc(-c2ccc([O-])c(F)c2)c1F ZINC001240781634 821321781 /nfs/dbraw/zinc/32/17/81/821321781.db2.gz CTDJVNCIDFJUTQ-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM COC(=O)CCc1ccccc1-c1c(F)cc([O-])cc1F ZINC001241120729 821576744 /nfs/dbraw/zinc/57/67/44/821576744.db2.gz IPGVQHFJEMLXFJ-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM COc1cc(-c2c(F)cc([O-])cc2F)ccc1NC(C)=O ZINC001241120861 821577198 /nfs/dbraw/zinc/57/71/98/821577198.db2.gz OZCDWJOLCZVJHC-UHFFFAOYSA-N -1 1 293.269 3.304 20 0 CGADMM Cc1nc2cc(-c3c(F)cc([O-])cc3F)cnc2o1 ZINC001241124738 821581191 /nfs/dbraw/zinc/58/11/91/821581191.db2.gz LRUAULQUXQELEF-UHFFFAOYSA-N -1 1 262.215 3.182 20 0 CGADMM CSc1nc2c(c(-c3c(F)ccc([O-])c3F)n1)CCC2 ZINC001241289200 821705978 /nfs/dbraw/zinc/70/59/78/821705978.db2.gz NDSGPEDDGDVCTO-UHFFFAOYSA-N -1 1 294.326 3.338 20 0 CGADMM [O-]c1ccc(F)c(-c2ncc3ccccc3n2)c1F ZINC001241289966 821706339 /nfs/dbraw/zinc/70/63/39/821706339.db2.gz GNJXWTKBJQIPLP-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3c2CCCCC3)c1F ZINC001241291384 821708208 /nfs/dbraw/zinc/70/82/08/821708208.db2.gz NWQDCUXZVPRWJP-UHFFFAOYSA-N -1 1 276.286 3.396 20 0 CGADMM COc1cccc2c1ncnc2-c1c(F)ccc([O-])c1F ZINC001241291499 821708373 /nfs/dbraw/zinc/70/83/73/821708373.db2.gz NVVLMBNVYMVYEN-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM CC(C)(C)Oc1ccnc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291952 821709496 /nfs/dbraw/zinc/70/94/96/821709496.db2.gz ZUPQLJOPQFOCFY-UHFFFAOYSA-N -1 1 280.274 3.305 20 0 CGADMM O=C([O-])c1ccc(-c2cc(-n3ccnc3)ccn2)cc1Cl ZINC001241347841 821750788 /nfs/dbraw/zinc/75/07/88/821750788.db2.gz NMZQAELPGRXNJL-UHFFFAOYSA-N -1 1 299.717 3.286 20 0 CGADMM Cn1cnc2c1ccnc2-c1cc(C(F)(F)F)ccc1[O-] ZINC001242131864 822888307 /nfs/dbraw/zinc/88/83/07/822888307.db2.gz UAPNSHDJDXMUPM-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM CCOc1cc(-c2cc(C(F)(F)F)ccc2[O-])ncn1 ZINC001242134269 822889769 /nfs/dbraw/zinc/88/97/69/822889769.db2.gz WCKPWNMSMPDSEB-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM CCOc1nccc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151608 822896012 /nfs/dbraw/zinc/89/60/12/822896012.db2.gz RTEHNJWVDUDHMW-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM Cc1cc(N(C)C)nc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242153186 822896931 /nfs/dbraw/zinc/89/69/31/822896931.db2.gz SYZGSRLZJCDRFP-UHFFFAOYSA-N -1 1 297.280 3.242 20 0 CGADMM [O-]c1cc(F)ccc1-c1cc(C(F)(F)F)cn2ncnc12 ZINC001242217890 822914733 /nfs/dbraw/zinc/91/47/33/822914733.db2.gz LOUNRONFJNZUGX-UHFFFAOYSA-N -1 1 297.211 3.260 20 0 CGADMM Cc1cc(-c2cccc(CC(=O)[O-])c2)cc2[nH]cnc21 ZINC001242263732 822930252 /nfs/dbraw/zinc/93/02/52/822930252.db2.gz ONIXBEPPIGLBIB-UHFFFAOYSA-N -1 1 266.300 3.165 20 0 CGADMM COC(=O)c1cc(F)c(F)cc1-c1cccc(F)c1[O-] ZINC001242350168 822960700 /nfs/dbraw/zinc/96/07/00/822960700.db2.gz AYXSGTNZBVVXRH-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COCc1ccc(F)c(-c2cccc(F)c2[O-])c1 ZINC001242351922 822961982 /nfs/dbraw/zinc/96/19/82/822961982.db2.gz BIUHHRXGQZINQB-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM COc1cc2nccn2cc1-c1cccc(Cl)c1[O-] ZINC001242365458 822968690 /nfs/dbraw/zinc/96/86/90/822968690.db2.gz DLTWCBNGTVJEPH-UHFFFAOYSA-N -1 1 274.707 3.369 20 0 CGADMM CC(C)Oc1ncc(-c2cccc(Cl)c2[O-])cn1 ZINC001242367518 822969808 /nfs/dbraw/zinc/96/98/08/822969808.db2.gz OBLKVCDXGPWAHA-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM O=c1cc(-c2cccc(Cl)c2[O-])ccn1-c1cccnc1 ZINC001242368049 822970223 /nfs/dbraw/zinc/97/02/23/822970223.db2.gz WFJOJGGITZRGHX-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM Cc1c2[nH]cnc2ccc1-c1cccc(C(=O)[O-])c1F ZINC001242378973 822974130 /nfs/dbraw/zinc/97/41/30/822974130.db2.gz ATNABGXAIBBNCP-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(Cl)ncc1F ZINC001335036951 936126797 /nfs/dbraw/zinc/12/67/97/936126797.db2.gz YXEQZMXUBMUHBH-UHFFFAOYSA-N -1 1 295.701 3.300 20 0 CGADMM C/C=C/C=C\C(=O)Nc1ccc(Br)c([O-])c1 ZINC001339753245 936384698 /nfs/dbraw/zinc/38/46/98/936384698.db2.gz FWLXZEQPANFADT-IAROGAJJSA-N -1 1 282.137 3.226 20 0 CGADMM CN(CCC(F)(F)F)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001349584159 936953614 /nfs/dbraw/zinc/95/36/14/936953614.db2.gz VQABNGCEGVGVED-UHFFFAOYSA-N -1 1 295.688 3.422 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCc2cc(Cl)ccc21 ZINC001472263749 937091665 /nfs/dbraw/zinc/09/16/65/937091665.db2.gz PTVYFIVEZOYPAH-UHFFFAOYSA-N -1 1 291.709 3.388 20 0 CGADMM C[C@@H]1c2ccccc2CN1C(=O)c1cccc([O-])c1F ZINC001167847985 927033175 /nfs/dbraw/zinc/03/31/75/927033175.db2.gz LZJVFVUZTJUCCY-SNVBAGLBSA-N -1 1 271.291 3.248 20 0 CGADMM O=C([N-]c1cnoc1)c1ccc(SC(F)(F)F)o1 ZINC001443013056 937345143 /nfs/dbraw/zinc/34/51/43/937345143.db2.gz JZXCNPYNQYBASI-UHFFFAOYSA-N -1 1 278.211 3.132 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(C)c1C(F)(F)F ZINC001450484849 937385543 /nfs/dbraw/zinc/38/55/43/937385543.db2.gz MNMDVKLTPSGSJX-UHFFFAOYSA-N -1 1 299.252 3.003 20 0 CGADMM CC(C)(NC(=O)c1ccc([O-])cn1)c1ccc(Cl)cc1 ZINC001449414641 937379759 /nfs/dbraw/zinc/37/97/59/937379759.db2.gz QFTHIOPGXDJEMS-UHFFFAOYSA-N -1 1 290.750 3.106 20 0 CGADMM O=C(/C=C\c1ccccc1)Nc1cccc(F)c1[O-] ZINC001454773111 937412140 /nfs/dbraw/zinc/41/21/40/937412140.db2.gz SJFRBDLYRZMXQR-KTKRTIGZSA-N -1 1 257.264 3.183 20 0 CGADMM C[C@H](C(=O)Nc1cccc(F)c1[O-])c1ccccc1 ZINC001454758001 937412211 /nfs/dbraw/zinc/41/22/11/937412211.db2.gz OFHHKPVGFQWZAS-JTQLQIEISA-N -1 1 259.280 3.274 20 0 CGADMM C[C@@H]1c2sccc2CCN1C(=O)c1ccc(F)c([O-])c1 ZINC001455292502 937416598 /nfs/dbraw/zinc/41/65/98/937416598.db2.gz ISEGRLCHZMDMBA-SECBINFHSA-N -1 1 291.347 3.352 20 0 CGADMM Cc1cccc(C)c1CCNC(=O)c1ccc([O-])cc1F ZINC000165042683 932004777 /nfs/dbraw/zinc/00/47/77/932004777.db2.gz FVVKGRHLGATUQP-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM C[C@@H](COC(C)(C)C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229129022 932101625 /nfs/dbraw/zinc/10/16/25/932101625.db2.gz HFZKZUNCOOUEID-JTQLQIEISA-N -1 1 292.331 3.081 20 0 CGADMM CC[C@@H](Oc1c([O-])c(OC)cc2ccc(=O)oc21)C(C)C ZINC001229214908 932117198 /nfs/dbraw/zinc/11/71/98/932117198.db2.gz ILAHXVJHQCITRH-LLVKDONJSA-N -1 1 292.331 3.321 20 0 CGADMM Cc1noc([C@H](NCc2cccc([O-])c2Cl)C(C)C)n1 ZINC001461838617 937601176 /nfs/dbraw/zinc/60/11/76/937601176.db2.gz NYEHLCHXZQRNKW-CYBMUJFWSA-N -1 1 295.770 3.224 20 0 CGADMM COc1c(=O)[n-]c(C)nc1O[C@H](c1ccccc1)C1CC1 ZINC001230019957 932523646 /nfs/dbraw/zinc/52/36/46/932523646.db2.gz RGGWDNWRMNZCJP-CYBMUJFWSA-N -1 1 286.331 3.029 20 0 CGADMM CC[C@H](Oc1nc(C)[n-]c(=O)c1OC)c1ccccc1F ZINC001230025629 932524085 /nfs/dbraw/zinc/52/40/85/932524085.db2.gz LLORALVPHUYWIH-LBPRGKRZSA-N -1 1 292.310 3.168 20 0 CGADMM CCCC/C=C/[C@H](C)Oc1nc(C)[n-]c(=O)c1OC ZINC001230027418 932525456 /nfs/dbraw/zinc/52/54/56/932525456.db2.gz XBUMULDBCGJIJP-DDXVTDLHSA-N -1 1 266.341 3.013 20 0 CGADMM CCCCCC[C@H](CC)Oc1nc(C(=O)OC)c[n-]1 ZINC001230282135 932551251 /nfs/dbraw/zinc/55/12/51/932551251.db2.gz PMUSGNTZNIWPDH-NSHDSACASA-N -1 1 268.357 3.324 20 0 CGADMM CC(C)OCCOc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231043470 932664601 /nfs/dbraw/zinc/66/46/01/932664601.db2.gz ACWZJJFFHYQWFH-UHFFFAOYSA-N -1 1 290.150 3.069 20 0 CGADMM CC(C)OCCOc1nc2cc(Cl)nc(Cl)c2[n-]1 ZINC001231043470 932664605 /nfs/dbraw/zinc/66/46/05/932664605.db2.gz ACWZJJFFHYQWFH-UHFFFAOYSA-N -1 1 290.150 3.069 20 0 CGADMM CCO[C@@H](C)COc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231047667 932666002 /nfs/dbraw/zinc/66/60/02/932666002.db2.gz ARNDQZXODABYNY-LURJTMIESA-N -1 1 290.150 3.069 20 0 CGADMM CCO[C@@H](C)COc1nc2cc(Cl)nc(Cl)c2[n-]1 ZINC001231047667 932666004 /nfs/dbraw/zinc/66/60/04/932666004.db2.gz ARNDQZXODABYNY-LURJTMIESA-N -1 1 290.150 3.069 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C12CCC(CC1)CC2 ZINC001339107960 932880220 /nfs/dbraw/zinc/88/02/20/932880220.db2.gz VIPGQBJAOBJXDP-UHFFFAOYSA-N -1 1 263.312 3.440 20 0 CGADMM C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(O)c(F)c1 ZINC001308686234 933159232 /nfs/dbraw/zinc/15/92/32/933159232.db2.gz ZHWOVZFBINBSML-GFCCVEGCSA-N -1 1 287.334 3.314 20 0 CGADMM CC[C@@H]1CN(Cc2ccc([O-])c(F)c2F)[C@H](CC)CO1 ZINC001308851941 933190442 /nfs/dbraw/zinc/19/04/42/933190442.db2.gz OBLDAEBBFBNYJR-VXGBXAGGSA-N -1 1 285.334 3.060 20 0 CGADMM CCC(C)(C)CCS(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC001309546963 933238140 /nfs/dbraw/zinc/23/81/40/933238140.db2.gz HFLUXHKHHGYOSD-UHFFFAOYSA-N -1 1 297.411 3.310 20 0 CGADMM Cc1ccc2c(c1)N(C(=O)c1cccc([O-])c1F)CC2 ZINC001464511564 937691892 /nfs/dbraw/zinc/69/18/92/937691892.db2.gz KLVBSUKVDSWBIL-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@H]1C1CC1 ZINC001464833874 937696174 /nfs/dbraw/zinc/69/61/74/937696174.db2.gz XKICDKCICBZCNV-LBPRGKRZSA-N -1 1 299.292 3.426 20 0 CGADMM O=C(NC/C=C/c1ccccc1)c1ccc(Cl)cc1[O-] ZINC001466495402 937709823 /nfs/dbraw/zinc/70/98/23/937709823.db2.gz XOJUIUKRGLWHCG-QPJJXVBHSA-N -1 1 287.746 3.489 20 0 CGADMM CC(C)=CCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001466860811 937712968 /nfs/dbraw/zinc/71/29/68/937712968.db2.gz OYTGWWJOLXIYIW-UHFFFAOYSA-N -1 1 287.281 3.497 20 0 CGADMM O=C(NC12CCC(CC1)C2)c1ccc2ccc(O)cc2c1[O-] ZINC001466826730 937712811 /nfs/dbraw/zinc/71/28/11/937712811.db2.gz FNIVJGOEXIHTEY-UHFFFAOYSA-N -1 1 297.354 3.314 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H](F)c1ccccc1 ZINC001468004165 937723835 /nfs/dbraw/zinc/72/38/35/937723835.db2.gz ZJCWPFPCBKSUOG-NSHDSACASA-N -1 1 281.233 3.320 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccc([O-])c(F)c2F)nc1 ZINC001468003691 937723890 /nfs/dbraw/zinc/72/38/90/937723890.db2.gz OOSXDSWQQKFUJL-UHFFFAOYSA-N -1 1 292.285 3.441 20 0 CGADMM CCCc1[nH]ncc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001320520138 934060034 /nfs/dbraw/zinc/06/00/34/934060034.db2.gz QTLIEVPDZGNQSJ-UHFFFAOYSA-N -1 1 297.717 3.113 20 0 CGADMM CCc1ccc2nc(-c3cc(O)cc(OC)c3)[n-]c(=O)c2c1 ZINC001321072392 934146587 /nfs/dbraw/zinc/14/65/87/934146587.db2.gz CHHRVAZNAVOCGK-UHFFFAOYSA-N -1 1 296.326 3.279 20 0 CGADMM C[C@@H](C(=O)Nc1ccc(Br)c([O-])c1)C1CC1 ZINC001321584395 934195781 /nfs/dbraw/zinc/19/57/81/934195781.db2.gz ZWJQWSNBMFHZQP-SSDOTTSWSA-N -1 1 284.153 3.139 20 0 CGADMM Cc1ccc(CC(=O)Nc2cccc(F)c2[O-])cc1 ZINC001471166359 937762174 /nfs/dbraw/zinc/76/21/74/937762174.db2.gz GHFYKZZWPGDQQY-UHFFFAOYSA-N -1 1 259.280 3.021 20 0 CGADMM C[C@H]1CCN(C(=O)NCc2ccc([O-])c(Cl)c2)C[C@H]1C ZINC001471235990 937763291 /nfs/dbraw/zinc/76/32/91/937763291.db2.gz PHYPGUDSXUWPLX-WDEREUQCSA-N -1 1 296.798 3.233 20 0 CGADMM O=C(CCC(F)F)Nc1ccc(Br)c([O-])c1 ZINC001325060840 934885231 /nfs/dbraw/zinc/88/52/31/934885231.db2.gz HKMBVDXBYPOTEF-UHFFFAOYSA-N -1 1 294.095 3.139 20 0 CGADMM CCc1ccc2nc(-c3cc(C)ccn3)[n-]c(=O)c2c1 ZINC001328473554 935141267 /nfs/dbraw/zinc/14/12/67/935141267.db2.gz UVDASGJHPOHLFM-UHFFFAOYSA-N -1 1 265.316 3.268 20 0 CGADMM CC1(C)CN(C(=O)NCc2ccc([O-])c(Cl)c2)C1(C)C ZINC001331015566 935342229 /nfs/dbraw/zinc/34/22/29/935342229.db2.gz ZCTJIPYKEPDLTI-UHFFFAOYSA-N -1 1 296.798 3.376 20 0 CGADMM C[N@@H+](Cc1nc(C(C)(C)C)cs1)C(C)(C)CC(=O)[O-] ZINC001332433198 935469175 /nfs/dbraw/zinc/46/91/75/935469175.db2.gz PVLWVEFLFRFGLX-UHFFFAOYSA-N -1 1 284.425 3.126 20 0 CGADMM CN(Cc1nc(C(C)(C)C)cs1)C(C)(C)CC(=O)[O-] ZINC001332433198 935469176 /nfs/dbraw/zinc/46/91/76/935469176.db2.gz PVLWVEFLFRFGLX-UHFFFAOYSA-N -1 1 284.425 3.126 20 0 CGADMM CC[C@@H](NCc1cc(C(=O)[O-])n[nH]1)c1cccc(Cl)c1 ZINC001334026975 936079703 /nfs/dbraw/zinc/07/97/03/936079703.db2.gz UAGYVVSCCJAPBL-GFCCVEGCSA-N -1 1 293.754 3.002 20 0 CGADMM CCc1ccncc1NCc1ccc([O-])c(F)c1F ZINC001474613693 937870861 /nfs/dbraw/zinc/87/08/61/937870861.db2.gz IKTFYPIKUULGAJ-UHFFFAOYSA-N -1 1 264.275 3.240 20 0 CGADMM O=C(NC[C@H]1C[C@@H]1C1CCCC1)c1ccc([O-])cc1F ZINC001522615818 938037271 /nfs/dbraw/zinc/03/72/71/938037271.db2.gz CAIDVUALTOPBQK-BXUZGUMPSA-N -1 1 277.339 3.087 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001538542056 938118714 /nfs/dbraw/zinc/11/87/14/938118714.db2.gz MXOPIHLWZMKQOM-RYUDHWBXSA-N -1 1 277.339 3.184 20 0 CGADMM CN(Cc1ccc2ccccc2c1)C(=O)c1ccc([O-])cn1 ZINC001540330889 938130388 /nfs/dbraw/zinc/13/03/88/938130388.db2.gz ASCZBJQCBUQATC-UHFFFAOYSA-N -1 1 292.338 3.213 20 0 CGADMM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001544810060 938147209 /nfs/dbraw/zinc/14/72/09/938147209.db2.gz ZLGSQWLRKHVLHI-OLZOCXBDSA-N -1 1 290.407 3.370 20 0 CGADMM CC(C)C1CCC(NC(=O)c2cc(F)ccc2[O-])CC1 ZINC001545488475 938149731 /nfs/dbraw/zinc/14/97/31/938149731.db2.gz PIPCRWNHKWNYEU-UHFFFAOYSA-N -1 1 279.355 3.476 20 0 CGADMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc([O-])cc1F ZINC001545505165 938149735 /nfs/dbraw/zinc/14/97/35/938149735.db2.gz XESRXYPXMTURDA-SNVBAGLBSA-N -1 1 289.306 3.070 20 0 CGADMM Cc1ccnc(C(=O)N([C@@H](C)c2ccccc2)C2CC2)c1[O-] ZINC001550362951 938166272 /nfs/dbraw/zinc/16/62/72/938166272.db2.gz YKJUVHNOEZZXCC-ZDUSSCGKSA-N -1 1 296.370 3.461 20 0 CGADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])cn2)CC1 ZINC001556281541 938203003 /nfs/dbraw/zinc/20/30/03/938203003.db2.gz KNGCCSORFLAVRA-QWHCGFSZSA-N -1 1 276.380 3.122 20 0 CGADMM C[C@@]1(NC(=O)c2ccc3ccc(O)cc3c2[O-])CC=CCC1 ZINC001556983132 938206996 /nfs/dbraw/zinc/20/69/96/938206996.db2.gz UFBXNQFNLVHXFY-GOSISDBHSA-N -1 1 297.354 3.480 20 0 CGADMM Cc1cccc(C(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001557086364 938207772 /nfs/dbraw/zinc/20/77/72/938207772.db2.gz PHXRMWDJDGNJFF-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1sccc1F ZINC001558209722 938214201 /nfs/dbraw/zinc/21/42/01/938214201.db2.gz ZPKZHOSDTOKKPA-UHFFFAOYSA-N -1 1 285.727 3.176 20 0 CGADMM Cc1cc(C)c2c(c1)CCN(C(=O)c1cc(F)ccc1[O-])C2 ZINC001558862761 938218152 /nfs/dbraw/zinc/21/81/52/938218152.db2.gz ONWNKTBLZAUJJO-UHFFFAOYSA-N -1 1 299.345 3.347 20 0 CGADMM Cc1cc([C@@H](C)NCc2cc(C(=O)[O-])c(C)n2C)c(C)o1 ZINC000386055669 972029433 /nfs/dbraw/zinc/02/94/33/972029433.db2.gz GGEDGLKIXGKWCB-SNVBAGLBSA-N -1 1 290.363 3.092 20 0 CGADMM O=C([O-])[C@H](NCc1ccccc1)c1ccccc1Cl ZINC000037952423 957338496 /nfs/dbraw/zinc/33/84/96/957338496.db2.gz PPNVCXFQDDNBQM-CQSZACIVSA-N -1 1 275.735 3.256 20 0 CGADMM Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC001594362457 958459578 /nfs/dbraw/zinc/45/95/78/958459578.db2.gz FYJUUMQRPZKSIB-UHFFFAOYSA-N -1 1 273.307 3.122 20 0 CGADMM Cc1cccc([C@H](NCc2cccc(C)c2F)C(=O)[O-])c1 ZINC001594398025 958792734 /nfs/dbraw/zinc/79/27/34/958792734.db2.gz PEWYVKKTVWGJEY-INIZCTEOSA-N -1 1 287.334 3.358 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(Cl)cc1 ZINC000232423417 960265742 /nfs/dbraw/zinc/26/57/42/960265742.db2.gz PTRIEDAACSCWDL-UHFFFAOYSA-N -1 1 279.723 3.229 20 0 CGADMM C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C(=O)[O-])o1 ZINC000235514367 960448843 /nfs/dbraw/zinc/44/88/43/960448843.db2.gz FVPWPEOEIOMXQH-QWRGUYRKSA-N -1 1 284.315 3.261 20 0 CGADMM C[C@H]1CCC[C@@H]1CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001564637945 960667936 /nfs/dbraw/zinc/66/79/36/960667936.db2.gz OGEDPDBZQLYEBD-CMPLNLGQSA-N -1 1 296.798 3.281 20 0 CGADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2F)C1 ZINC001565660368 960797178 /nfs/dbraw/zinc/79/71/78/960797178.db2.gz VDMDFHWEZWURLR-VXGBXAGGSA-N -1 1 279.355 3.476 20 0 CGADMM CCc1nc([C@@H](C)NC(=O)c2cccc([O-])c2F)cs1 ZINC001565779300 960827001 /nfs/dbraw/zinc/82/70/01/960827001.db2.gz YQBCMPHHWGVQPQ-MRVPVSSYSA-N -1 1 294.351 3.041 20 0 CGADMM CC(C)c1ncsc1NC(=O)c1cccc([O-])c1F ZINC001569167025 961706698 /nfs/dbraw/zinc/70/66/98/961706698.db2.gz AKBOEBSEHZHCMH-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM C[C@H](CC(=O)Nc1cc([O-])c(F)cc1F)c1ccncc1 ZINC001570103078 961906497 /nfs/dbraw/zinc/90/64/97/961906497.db2.gz BRVNVCSFHUMJSB-SECBINFHSA-N -1 1 292.285 3.198 20 0 CGADMM Cc1occc1SCc1ccc(-c2nn[n-]n2)s1 ZINC001581733635 962750100 /nfs/dbraw/zinc/75/01/00/962750100.db2.gz JDEIWYHDXSMIEF-UHFFFAOYSA-N -1 1 278.362 3.122 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2cccc([O-])c2F)[C@@H](C)C1 ZINC001586187430 963077738 /nfs/dbraw/zinc/07/77/38/963077738.db2.gz FUCWZXSWPRAQEJ-JFGNBEQYSA-N -1 1 265.328 3.086 20 0 CGADMM CC(C)(NCc1occc1C(=O)[O-])c1ccccc1 ZINC000306047322 963181164 /nfs/dbraw/zinc/18/11/64/963181164.db2.gz RLBQEIXPZBKWQX-UHFFFAOYSA-N -1 1 259.305 3.003 20 0 CGADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001587543842 963203651 /nfs/dbraw/zinc/20/36/51/963203651.db2.gz GUKVNYIGIDNVES-MFKMUULPSA-N -1 1 279.355 3.476 20 0 CGADMM C/C(=C/c1ccccc1)CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC001589003842 963335883 /nfs/dbraw/zinc/33/58/83/963335883.db2.gz NUCFEXWRZVOMPU-UVTDQMKNSA-N -1 1 296.370 3.315 20 0 CGADMM CC[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595298155 980413194 /nfs/dbraw/zinc/41/31/94/980413194.db2.gz BCDDUSADLVVTOQ-CYBMUJFWSA-N -1 1 294.301 3.232 20 0 CGADMM CCC1(CC)CCN([C@H](C)c2nc(C(=O)[O-])co2)CC1 ZINC001595374998 980890232 /nfs/dbraw/zinc/89/02/32/980890232.db2.gz JFZJZNSLDMWVCD-LLVKDONJSA-N -1 1 280.368 3.336 20 0 CGADMM CC[C@@H]1CCN1Cc1ccc(C(=O)[O-])cc1Br ZINC001595467570 981155534 /nfs/dbraw/zinc/15/55/34/981155534.db2.gz GXXTWCLGMRUFHU-LLVKDONJSA-N -1 1 298.180 3.132 20 0 CGADMM CCC[C@](C)(NCc1cnc(-c2ccccc2)o1)C(=O)[O-] ZINC001595560119 981446337 /nfs/dbraw/zinc/44/63/37/981446337.db2.gz XGIQMWUSXFWUBL-INIZCTEOSA-N -1 1 288.347 3.075 20 0 CGADMM CCCCC[C@H]1CCCN1Cc1ncc(C(=O)[O-])s1 ZINC001595690932 982203378 /nfs/dbraw/zinc/20/33/78/982203378.db2.gz XKZLWGVRPRXSAB-NSHDSACASA-N -1 1 282.409 3.386 20 0 CGADMM CCN(Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccccc1 ZINC001596371586 983870360 /nfs/dbraw/zinc/87/03/60/983870360.db2.gz PWYJBTQXBXNJLE-KHPPLWFESA-N -1 1 285.343 3.400 20 0 CGADMM C[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1cccnc1 ZINC001599901332 984835326 /nfs/dbraw/zinc/83/53/26/984835326.db2.gz JNVBBIDOUWFJIJ-JTQLQIEISA-N -1 1 290.750 3.284 20 0 CGADMM CCc1nc(C)c(CN[C@H](C)c2cc(C(=O)[O-])cs2)o1 ZINC001597660976 988729538 /nfs/dbraw/zinc/72/95/38/988729538.db2.gz JMPRALIDDQYHBF-SECBINFHSA-N -1 1 294.376 3.156 20 0 CGADMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1cccc(O)c1 ZINC001599841265 988836752 /nfs/dbraw/zinc/83/67/52/988836752.db2.gz VQVULXWCQRHLGE-BMIGLBTASA-N -1 1 289.306 3.008 20 0 CGADMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1CF ZINC001598513848 992596148 /nfs/dbraw/zinc/59/61/48/992596148.db2.gz CEZHZEPNTNPIAT-UHFFFAOYSA-N -1 1 287.334 3.486 20 0 CGADMM C[C@H](N[C@@H](C)c1cc(C(=O)[O-])cs1)c1cncs1 ZINC001593196196 994153203 /nfs/dbraw/zinc/15/32/03/994153203.db2.gz GGUJLKUZHZEZGO-YUMQZZPRSA-N -1 1 282.390 3.315 20 0 CGADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])o1 ZINC001594216872 998834539 /nfs/dbraw/zinc/83/45/39/998834539.db2.gz YBPLSUXOOLRLLG-RKDXNWHRSA-N -1 1 291.269 3.141 20 0 CGADMM CC1(CC(=O)Nc2nc(-c3ccccn3)n[nH]2)CCCCC1 ZINC000124868083 187158595 /nfs/dbraw/zinc/15/85/95/187158595.db2.gz GJXHKWFSPGQXRW-UHFFFAOYSA-N -1 1 299.378 3.166 20 0 CGADMM Cc1ccnc(NC(=O)c2ccccc2[O-])c1C1CC1 ZINC000622151618 349639308 /nfs/dbraw/zinc/63/93/08/349639308.db2.gz RMZBFUCKXQUZCW-UHFFFAOYSA-N -1 1 268.316 3.225 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CC(CC2CC2)C1 ZINC000622252470 349662143 /nfs/dbraw/zinc/66/21/43/349662143.db2.gz QOFSFLNHMZUERU-UHFFFAOYSA-N -1 1 281.355 3.418 20 0 CGADMM CC[C@H](CC(F)(F)F)NC(=O)c1c(F)ccc([O-])c1F ZINC000622511526 349684334 /nfs/dbraw/zinc/68/43/34/349684334.db2.gz FMVVRZAEZMFMTP-ZCFIWIBFSA-N -1 1 297.223 3.131 20 0 CGADMM CCCc1cc(C(=O)[N-]c2c(C)noc2C2CC2)no1 ZINC000622504812 349683541 /nfs/dbraw/zinc/68/35/41/349683541.db2.gz BGWOAXUSSDCWGV-UHFFFAOYSA-N -1 1 275.308 3.053 20 0 CGADMM CCc1ccc(C(=O)N2CCN(C)c3ccccc32)c([O-])c1 ZINC000191548879 529598415 /nfs/dbraw/zinc/59/84/15/529598415.db2.gz ANFFKWIPCHGVSP-UHFFFAOYSA-N -1 1 296.370 3.051 20 0 CGADMM CCc1ccc(CN[C@H](C(=O)[O-])C2(C)CCCCC2)o1 ZINC000426747621 529656599 /nfs/dbraw/zinc/65/65/99/529656599.db2.gz QNQNSJWSKCXLIZ-CQSZACIVSA-N -1 1 279.380 3.355 20 0 CGADMM Cc1cnc([C@@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)o1 ZINC000351288001 219089449 /nfs/dbraw/zinc/08/94/49/219089449.db2.gz KSPXXJIPKZUSMD-ZCFIWIBFSA-N -1 1 287.291 3.270 20 0 CGADMM CC(C)O[N-]C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000295454200 199516526 /nfs/dbraw/zinc/51/65/26/199516526.db2.gz BJDRTWAWPAZNDP-GFCCVEGCSA-N -1 1 257.333 3.400 20 0 CGADMM Cc1cccc(-n2cc(C(=O)c3cc(C)ccc3[O-])cn2)c1 ZINC000015232230 344883416 /nfs/dbraw/zinc/88/34/16/344883416.db2.gz GWZYZXADGYZLAI-UHFFFAOYSA-N -1 1 292.338 3.426 20 0 CGADMM O=C([O-])C[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000086790822 345751051 /nfs/dbraw/zinc/75/10/51/345751051.db2.gz JTCKONKNFYHFQO-GFCCVEGCSA-N -1 1 288.174 3.433 20 0 CGADMM COc1ccc(C(=O)Nc2cncc3ccccc32)c([O-])c1 ZINC000089278078 345767460 /nfs/dbraw/zinc/76/74/60/345767460.db2.gz YLEQFEGYIRHEEC-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM O=C([N-]c1nnc(C2CC2)s1)c1cc(F)c(F)cc1F ZINC000124295729 346012128 /nfs/dbraw/zinc/01/21/28/346012128.db2.gz SFGKEJKPBHFMDZ-UHFFFAOYSA-N -1 1 299.277 3.085 20 0 CGADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000171013889 346200877 /nfs/dbraw/zinc/20/08/77/346200877.db2.gz UJYXXUNSDQMBSI-GFCCVEGCSA-N -1 1 291.372 3.195 20 0 CGADMM O=C([N-]c1cnoc1)c1occc1-c1ccccc1 ZINC000624010966 349945975 /nfs/dbraw/zinc/94/59/75/349945975.db2.gz DZVCFNVJAWFMGL-UHFFFAOYSA-N -1 1 254.245 3.187 20 0 CGADMM CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000232784387 346327836 /nfs/dbraw/zinc/32/78/36/346327836.db2.gz VVHFUXWAADSQOE-OAHLLOKOSA-N -1 1 299.773 3.412 20 0 CGADMM C=C(C)C[N@H+](CC)Cc1cc(C(=O)[O-])sc1C ZINC000382504809 346560281 /nfs/dbraw/zinc/56/02/81/346560281.db2.gz UTVPBDPFUNHLGC-UHFFFAOYSA-N -1 1 253.367 3.153 20 0 CGADMM O=C([O-])[C@H]1CC12CCN(Cc1cc(F)ccc1Cl)CC2 ZINC000405371521 346603439 /nfs/dbraw/zinc/60/34/39/346603439.db2.gz QCNJMYSITSFKNF-GFCCVEGCSA-N -1 1 297.757 3.166 20 0 CGADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2cc(F)ccc2[O-])C1 ZINC000128623119 187380732 /nfs/dbraw/zinc/38/07/32/187380732.db2.gz QGGNUYOKQFPJRI-PWSUYJOCSA-N -1 1 265.328 3.182 20 0 CGADMM CC1(C)CN(C(=O)c2cncc([O-])c2)[C@@H]1c1ccccc1 ZINC000600968019 347849838 /nfs/dbraw/zinc/84/98/38/347849838.db2.gz CXJJSMUGNNIQOX-OAHLLOKOSA-N -1 1 282.343 3.011 20 0 CGADMM CCN(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)[O-] ZINC000604773027 348133299 /nfs/dbraw/zinc/13/32/99/348133299.db2.gz CGFOHUHHVWBFNL-MRVPVSSYSA-N -1 1 276.163 3.288 20 0 CGADMM CC(C)c1nc(=NCC2(c3cccc(Cl)c3)CC2)o[n-]1 ZINC000606895314 348204797 /nfs/dbraw/zinc/20/47/97/348204797.db2.gz WDFRLEUTMAUADH-UHFFFAOYSA-N -1 1 291.782 3.412 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc(OC(F)F)cc1 ZINC000608366731 348301056 /nfs/dbraw/zinc/30/10/56/348301056.db2.gz WVEAMCXGHRKJSC-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM O=C(Cn1ccc2ccccc21)Nc1c([O-])cccc1F ZINC000608365344 348301312 /nfs/dbraw/zinc/30/13/12/348301312.db2.gz DKWVMCXQOMMDNB-UHFFFAOYSA-N -1 1 284.290 3.125 20 0 CGADMM CC[C@@H](C)CN(CC)C(=O)c1ncc2ccccc2c1[O-] ZINC000611936619 348481190 /nfs/dbraw/zinc/48/11/90/348481190.db2.gz ZKKYGLHFHVXLNR-GFCCVEGCSA-N -1 1 286.375 3.449 20 0 CGADMM CC1(C)CC[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000612760358 348544765 /nfs/dbraw/zinc/54/47/65/348544765.db2.gz VDJLWLPYIJCWLR-VIFPVBQESA-N -1 1 253.729 3.420 20 0 CGADMM CN(C(=O)c1ncc2ccccc2c1[O-])C1(C)CCCC1 ZINC000614154912 348652983 /nfs/dbraw/zinc/65/29/83/348652983.db2.gz BYMWRYDLMSRSHL-UHFFFAOYSA-N -1 1 284.359 3.345 20 0 CGADMM CCc1c(C)[n-]n(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000614189466 348657390 /nfs/dbraw/zinc/65/73/90/348657390.db2.gz LXDUHJNVAFRIDF-GFCCVEGCSA-N -1 1 284.281 3.450 20 0 CGADMM C[C@@H](CC(F)(F)F)NC(=O)c1ncc2ccccc2c1[O-] ZINC000613561518 348618341 /nfs/dbraw/zinc/61/83/41/348618341.db2.gz QQPJOMZBPIPXPE-QMMMGPOBSA-N -1 1 298.264 3.011 20 0 CGADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000613626377 348623827 /nfs/dbraw/zinc/62/38/27/348623827.db2.gz NEFLPGQUMVAFSU-BXUZGUMPSA-N -1 1 284.359 3.201 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000615226381 348725080 /nfs/dbraw/zinc/72/50/80/348725080.db2.gz KBWVTBLSWSUBTJ-ZIAGYGMSSA-N -1 1 299.374 3.021 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000615226378 348725325 /nfs/dbraw/zinc/72/53/25/348725325.db2.gz KBWVTBLSWSUBTJ-KGLIPLIRSA-N -1 1 299.374 3.021 20 0 CGADMM Cc1cnc(C(=O)N([C@H](C)c2ccco2)C2CC2)c([O-])c1 ZINC000358616803 233166779 /nfs/dbraw/zinc/16/67/79/233166779.db2.gz NQPZBMPDMBVVAS-LLVKDONJSA-N -1 1 286.331 3.054 20 0 CGADMM COc1cc(C(=O)NCc2ccsc2)cc(Cl)c1[O-] ZINC000358619068 233167580 /nfs/dbraw/zinc/16/75/80/233167580.db2.gz WIEIUWPPVBOPPT-UHFFFAOYSA-N -1 1 297.763 3.046 20 0 CGADMM CC[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000618871940 349172051 /nfs/dbraw/zinc/17/20/51/349172051.db2.gz QWNAGKGAWWFZNI-NSHDSACASA-N -1 1 287.281 3.329 20 0 CGADMM Cc1nn(C)c(C)c1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000271242119 191023338 /nfs/dbraw/zinc/02/33/38/191023338.db2.gz YXIFELJGZXHYPS-UHFFFAOYSA-N -1 1 287.363 3.118 20 0 CGADMM CO[C@H](C)CN(Cc1cc(O)ccc1Cl)C(C)C ZINC000625181707 350137152 /nfs/dbraw/zinc/13/71/52/350137152.db2.gz BDILJUFWVKQDSR-LLVKDONJSA-N -1 1 271.788 3.291 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N(C1CC1)C1CC1 ZINC000628820051 350608253 /nfs/dbraw/zinc/60/82/53/350608253.db2.gz YTBLGQCEISAPDE-UHFFFAOYSA-N -1 1 267.328 3.312 20 0 CGADMM C[C@]12CCCC[C@H]1CN2C(=O)c1cc(Cl)ccc1[O-] ZINC000629612272 350718951 /nfs/dbraw/zinc/71/89/51/350718951.db2.gz AQKXOZDQGCEZIX-BONVTDFDSA-N -1 1 279.767 3.450 20 0 CGADMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ncccc1[O-] ZINC000153791194 295816742 /nfs/dbraw/zinc/81/67/42/295816742.db2.gz WBLWZQDOFHHRKD-ZDUSSCGKSA-N -1 1 296.370 3.228 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@H]1C1CCC1 ZINC000630916696 350909122 /nfs/dbraw/zinc/90/91/22/350909122.db2.gz QMZQZYTYVUYGPD-AWEZNQCLSA-N -1 1 293.794 3.379 20 0 CGADMM Cc1nc(SC[C@H]2CC(C)(C)CO2)[n-]c(=O)c1C1CC1 ZINC000631023454 350926848 /nfs/dbraw/zinc/92/68/48/350926848.db2.gz RQRYPWMZQGSICG-LLVKDONJSA-N -1 1 294.420 3.275 20 0 CGADMM Cc1nc(S[C@@H](C)C(F)(F)F)[n-]c(=O)c1C1CC1 ZINC000631023872 350927481 /nfs/dbraw/zinc/92/74/81/350927481.db2.gz GXCJUVDWGCPZJM-LURJTMIESA-N -1 1 278.299 3.411 20 0 CGADMM CCCCC(=O)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023778 350927806 /nfs/dbraw/zinc/92/78/06/350927806.db2.gz WXXCXAKZZQYEDK-UHFFFAOYSA-N -1 1 280.393 3.219 20 0 CGADMM CC(C)CN(C(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000630692352 350871845 /nfs/dbraw/zinc/87/18/45/350871845.db2.gz ZCLVUDMGHVWNAC-UHFFFAOYSA-N -1 1 281.783 3.235 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000631515702 351057548 /nfs/dbraw/zinc/05/75/48/351057548.db2.gz DOMZNRRFDMENEA-GXTWGEPZSA-N -1 1 293.794 3.379 20 0 CGADMM CCN(CC1CCC1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632823277 351220225 /nfs/dbraw/zinc/22/02/25/351220225.db2.gz MYQCNEXWHVMLFE-UHFFFAOYSA-N -1 1 281.783 3.237 20 0 CGADMM C[C@H]1CC[C@@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000632828384 351220918 /nfs/dbraw/zinc/22/09/18/351220918.db2.gz ZGLJZOMALUMDFW-CMPLNLGQSA-N -1 1 281.783 3.141 20 0 CGADMM CC(C)[C@@]1(C)C[C@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633412052 351298324 /nfs/dbraw/zinc/29/83/24/351298324.db2.gz GESUULGOWXDEAQ-UKRRQHHQSA-N -1 1 281.783 3.139 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@]12C[C@H]1CCCC2 ZINC000634082123 351433517 /nfs/dbraw/zinc/43/35/17/351433517.db2.gz CDJBYPXXLKBUSN-IAQYHMDHSA-N -1 1 279.767 3.037 20 0 CGADMM CC1(F)CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000634357366 351473105 /nfs/dbraw/zinc/47/31/05/351473105.db2.gz QGEOVQXJTDEHLS-UHFFFAOYSA-N -1 1 271.719 3.010 20 0 CGADMM Cc1[n-]n(-c2cccc(Cl)c2F)c(=O)c1C1CC1 ZINC000634595182 351530950 /nfs/dbraw/zinc/53/09/50/351530950.db2.gz SLDKBLSHYXQYAL-LLVKDONJSA-N -1 1 266.703 3.228 20 0 CGADMM CN(C)c1ccccc1Cn1[n-]c2c(c1=O)CCCCCC2 ZINC000634595747 351531829 /nfs/dbraw/zinc/53/18/29/351531829.db2.gz KYILLKYSDZOJLL-OAHLLOKOSA-N -1 1 299.418 3.421 20 0 CGADMM O=c1c2c([n-]n1Cc1ccc(F)cc1F)CCCCC2 ZINC000634601106 351536686 /nfs/dbraw/zinc/53/66/86/351536686.db2.gz CRPIZIVPVAMRCX-LBPRGKRZSA-N -1 1 278.302 3.243 20 0 CGADMM C[C@H]1CCc2[n-]n(CCCc3ccccc3)c(=O)c2C1 ZINC000634603447 351537679 /nfs/dbraw/zinc/53/76/79/351537679.db2.gz ZPRJUAOBQROXLR-DZGCQCFKSA-N -1 1 270.376 3.254 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3cc(F)cc(Cl)c3)c(=O)c21 ZINC000634607030 351539486 /nfs/dbraw/zinc/53/94/86/351539486.db2.gz KGRHXKLCDHCFLO-JVXZTZIISA-N -1 1 266.703 3.228 20 0 CGADMM CCCc1c(C)[n-]n(-c2cccc(F)c2F)c1=O ZINC000634613902 351543213 /nfs/dbraw/zinc/54/32/13/351543213.db2.gz LOTRTQHDGNNPPF-SECBINFHSA-N -1 1 252.264 3.104 20 0 CGADMM CCCc1c(C)[n-]n(-c2cccc3cnccc32)c1=O ZINC000634623036 351547785 /nfs/dbraw/zinc/54/77/85/351547785.db2.gz VWOLCIUCIIHLST-ZDUSSCGKSA-N -1 1 267.332 3.374 20 0 CGADMM CCc1c(C)[n-]n([C@H]2CCc3c2cccc3F)c1=O ZINC000634632594 351554440 /nfs/dbraw/zinc/55/44/40/351554440.db2.gz VFHPDZSUMNCJHO-HZMBPMFUSA-N -1 1 260.312 3.057 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)Cc1ccc(Cl)s1 ZINC000292136347 198177194 /nfs/dbraw/zinc/17/71/94/198177194.db2.gz QIZCPLMRYCPCAY-QMMMGPOBSA-N -1 1 261.774 3.038 20 0 CGADMM COc1csc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000128848691 138395275 /nfs/dbraw/zinc/39/52/75/138395275.db2.gz VACHPFDBOPLGCX-UHFFFAOYSA-N -1 1 283.736 3.368 20 0 CGADMM O=C([O-])[C@@H](NCc1ccsc1Cl)c1ccc(F)cc1 ZINC000426767121 236313213 /nfs/dbraw/zinc/31/32/13/236313213.db2.gz KLOVSXZKQUSISL-NSHDSACASA-N -1 1 299.754 3.456 20 0 CGADMM Cc1ccc(C)c(CN[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000426786229 236315020 /nfs/dbraw/zinc/31/50/20/236315020.db2.gz ULGWVPMARGSUTG-CQSZACIVSA-N -1 1 275.373 3.280 20 0 CGADMM CSc1cccc(NC(=O)c2ccc(O)cc2[O-])c1C ZINC000436612662 237145647 /nfs/dbraw/zinc/14/56/47/237145647.db2.gz YKOOOSCTFLTZFC-UHFFFAOYSA-N -1 1 289.356 3.380 20 0 CGADMM O=C(N[C@@H]1CCC[C@@H]1F)c1ccc(C(F)(F)F)cc1[O-] ZINC000436775829 237179138 /nfs/dbraw/zinc/17/91/38/237179138.db2.gz RTDDRXQXFMNNMT-VHSXEESVSA-N -1 1 291.244 3.031 20 0 CGADMM CCOc1cc(CN2CC[C@@H](C)C2)cc(Cl)c1O ZINC000297904038 200301555 /nfs/dbraw/zinc/30/15/55/200301555.db2.gz RTQHLVMHHHVOLX-SNVBAGLBSA-N -1 1 269.772 3.286 20 0 CGADMM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1ccccc1 ZINC000341945508 216161241 /nfs/dbraw/zinc/16/12/41/216161241.db2.gz OUZOYVZOPRAIFR-UHFFFAOYSA-N -1 1 298.367 3.483 20 0 CGADMM Cc1c(=O)[n-]c(SCn2cccn2)nc1-c1ccccc1 ZINC000439288397 238248482 /nfs/dbraw/zinc/24/84/82/238248482.db2.gz ZLDXVBPKCBWCMH-UHFFFAOYSA-N -1 1 298.371 3.104 20 0 CGADMM CS[C@@H](C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000119403092 370674306 /nfs/dbraw/zinc/67/43/06/370674306.db2.gz XDALVKOYLJSYHA-ZETCQYMHSA-N -1 1 259.758 3.126 20 0 CGADMM C[C@@H](c1ccco1)N(C(=O)c1ccc([O-])cc1F)C1CC1 ZINC000181907300 189309545 /nfs/dbraw/zinc/30/95/45/189309545.db2.gz SIHUQICEPNEGLS-JTQLQIEISA-N -1 1 289.306 3.490 20 0 CGADMM CCC1([N-]S(=O)(=O)c2sccc2Cl)CCC1 ZINC000451275057 240264791 /nfs/dbraw/zinc/26/47/91/240264791.db2.gz HHIVEDUXKDLQHW-UHFFFAOYSA-N -1 1 279.814 3.013 20 0 CGADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000032098371 368923395 /nfs/dbraw/zinc/92/33/95/368923395.db2.gz ULEZUIRXMHARNS-UHFFFAOYSA-N -1 1 275.373 3.440 20 0 CGADMM O=C(/C=C\c1cncs1)Nc1ccc([O-])c(Cl)c1 ZINC000493351285 244146491 /nfs/dbraw/zinc/14/64/91/244146491.db2.gz KBWQYSCWODYSTQ-RQOWECAXSA-N -1 1 280.736 3.154 20 0 CGADMM CCC[C@](C)(NCc1cc2ccccc2o1)C(=O)[O-] ZINC000086731837 370022362 /nfs/dbraw/zinc/02/23/62/370022362.db2.gz SQHCYPPPMPBZAG-HNNXBMFYSA-N -1 1 261.321 3.166 20 0 CGADMM CC(C)c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000109040671 370359518 /nfs/dbraw/zinc/35/95/18/370359518.db2.gz XCIAVSGLTIHJIA-UHFFFAOYSA-N -1 1 256.305 3.163 20 0 CGADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCCCC1 ZINC000282359191 296163726 /nfs/dbraw/zinc/16/37/26/296163726.db2.gz DEBMZOJWNQFAKY-UHFFFAOYSA-N -1 1 290.750 3.220 20 0 CGADMM CC1CC(NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000135559758 371435779 /nfs/dbraw/zinc/43/57/79/371435779.db2.gz QLFMCQAWHGFWAD-UHFFFAOYSA-N -1 1 255.317 3.074 20 0 CGADMM CCN(CCc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000137009296 371489937 /nfs/dbraw/zinc/48/99/37/371489937.db2.gz PXUVSPPUZOXZRO-UHFFFAOYSA-N -1 1 287.334 3.236 20 0 CGADMM O=C([O-])c1coc(CNCc2cccc(C3CC3)c2)c1 ZINC000421817597 371640375 /nfs/dbraw/zinc/64/03/75/371640375.db2.gz VSDMYVNSNYMPTF-UHFFFAOYSA-N -1 1 271.316 3.145 20 0 CGADMM Cc1noc(C2CC2)c1[N-]C(=O)c1c(F)cccc1F ZINC000154162304 371822132 /nfs/dbraw/zinc/82/21/32/371822132.db2.gz POHANBHCTCUSGM-UHFFFAOYSA-N -1 1 278.258 3.391 20 0 CGADMM Cc1nnc([C@H](C)NCc2cccc([O-])c2Cl)s1 ZINC000293336905 372359563 /nfs/dbraw/zinc/35/95/63/372359563.db2.gz SAFSZXAXSLYWIP-ZETCQYMHSA-N -1 1 283.784 3.056 20 0 CGADMM CC[C@@H]1CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000293827283 372493380 /nfs/dbraw/zinc/49/33/80/372493380.db2.gz AKLGDYLSYNEDLV-SECBINFHSA-N -1 1 273.254 3.036 20 0 CGADMM O=C([O-])C[C@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000164531690 372521133 /nfs/dbraw/zinc/52/11/33/372521133.db2.gz DMIWFEJVICBLTM-SNVBAGLBSA-N -1 1 285.746 3.166 20 0 CGADMM CN(Cc1cccc2ccccc21)C(=O)c1ncccc1[O-] ZINC000171246742 372730605 /nfs/dbraw/zinc/73/06/05/372730605.db2.gz RQBQHGJWQKKUTF-UHFFFAOYSA-N -1 1 292.338 3.213 20 0 CGADMM Cc1cnc(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)c([O-])c1 ZINC000333305923 205203502 /nfs/dbraw/zinc/20/35/02/205203502.db2.gz CTUVYJGWNXGGHA-OAHLLOKOSA-N -1 1 288.391 3.136 20 0 CGADMM COc1cc(C(=O)NC[C@H](C)C(C)C)cc(Cl)c1[O-] ZINC000442976077 373138264 /nfs/dbraw/zinc/13/82/64/373138264.db2.gz LCAWEKLXEXHVFS-VIFPVBQESA-N -1 1 285.771 3.076 20 0 CGADMM CC(C)(C)Oc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000176542771 373611148 /nfs/dbraw/zinc/61/11/48/373611148.db2.gz ANUDCGPUFAJULT-UHFFFAOYSA-N -1 1 286.331 3.217 20 0 CGADMM CCc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000181097067 374078237 /nfs/dbraw/zinc/07/82/37/374078237.db2.gz FWXGDKDMMFTVGL-UHFFFAOYSA-N -1 1 259.280 3.346 20 0 CGADMM CC(=O)c1[n-]c(=NCc2sccc2C)sc1C ZINC000450274383 374033367 /nfs/dbraw/zinc/03/33/67/374033367.db2.gz GWHXGZNTECQPIV-UHFFFAOYSA-N -1 1 266.391 3.058 20 0 CGADMM O=C(NCCSc1ccccc1)c1ccc([O-])cc1F ZINC000181062279 374074710 /nfs/dbraw/zinc/07/47/10/374074710.db2.gz XKHAKRCBYHHWEZ-UHFFFAOYSA-N -1 1 291.347 3.053 20 0 CGADMM O=C(Nc1ccccc1OC(F)F)c1ccc([O-])cc1F ZINC000181856026 374183240 /nfs/dbraw/zinc/18/32/40/374183240.db2.gz HTYFHHDIEKTAST-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])c1cccnc1 ZINC000182036488 374209561 /nfs/dbraw/zinc/20/95/61/374209561.db2.gz AHBCNYROGVQORT-UHFFFAOYSA-N -1 1 296.248 3.083 20 0 CGADMM CCCS(=O)(=O)[N-]c1cnccc1Oc1ccccc1 ZINC000182708913 374316222 /nfs/dbraw/zinc/31/62/22/374316222.db2.gz IBDFPBNEGXLDJN-UHFFFAOYSA-N -1 1 292.360 3.026 20 0 CGADMM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1cc(F)ccc1[O-] ZINC000456350005 374523636 /nfs/dbraw/zinc/52/36/36/374523636.db2.gz SYKDPKJLUCEAJG-UKRRQHHQSA-N -1 1 279.355 3.284 20 0 CGADMM CC(C)C[C@@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456775828 374619730 /nfs/dbraw/zinc/61/97/30/374619730.db2.gz DQHQBHITRAHQND-MRVPVSSYSA-N -1 1 257.280 3.291 20 0 CGADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456780888 374622190 /nfs/dbraw/zinc/62/21/90/374622190.db2.gz JBOXWKHQVOOZDV-SKDRFNHKSA-N -1 1 299.317 3.204 20 0 CGADMM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc([O-])c(F)c2F)CCO1 ZINC000456791074 374625228 /nfs/dbraw/zinc/62/52/28/374625228.db2.gz XFLWPELDVKWGFE-VHSXEESVSA-N -1 1 299.317 3.204 20 0 CGADMM CCOc1cc(C(=O)N[C@@H]2C[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000458137874 374702174 /nfs/dbraw/zinc/70/21/74/374702174.db2.gz ZRGRLJOIWWLJOH-CMPLNLGQSA-N -1 1 297.782 3.219 20 0 CGADMM C[N@@H+](CCOc1ccccc1F)Cc1cc(O)cc(F)c1 ZINC000186167215 374805812 /nfs/dbraw/zinc/80/58/12/374805812.db2.gz UUEYORVSOXUSCT-UHFFFAOYSA-N -1 1 293.313 3.181 20 0 CGADMM CCOc1cc(C(=O)N2CCCC2(C)C)cc(Cl)c1[O-] ZINC000186777969 374916086 /nfs/dbraw/zinc/91/60/86/374916086.db2.gz RMVQJVUMBRNDDX-UHFFFAOYSA-N -1 1 297.782 3.459 20 0 CGADMM CCOc1cc(C(=O)N2CC[C@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000186849726 374926636 /nfs/dbraw/zinc/92/66/36/374926636.db2.gz RJYPJVNQMQMMDJ-UWVGGRQHSA-N -1 1 297.782 3.315 20 0 CGADMM CCOc1cc(C(=O)N2CCC[C@H]2C)cc(Cl)c1[O-] ZINC000186841243 374926973 /nfs/dbraw/zinc/92/69/73/374926973.db2.gz LJKISUAKRRMUEP-SECBINFHSA-N -1 1 283.755 3.069 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CC12CCCC2 ZINC000335018812 375074035 /nfs/dbraw/zinc/07/40/35/375074035.db2.gz RTRYWQMPLRZBDY-MRVPVSSYSA-N -1 1 267.275 3.189 20 0 CGADMM COC(=O)c1c[n-]c(SCCCc2ccccc2C)n1 ZINC000187593261 375051960 /nfs/dbraw/zinc/05/19/60/375051960.db2.gz IBJQCIJPXHSIJO-UHFFFAOYSA-N -1 1 290.388 3.230 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2cccc(F)c2)n1 ZINC000188095550 375157178 /nfs/dbraw/zinc/15/71/78/375157178.db2.gz MZMFBKUJQKHYIW-VIFPVBQESA-N -1 1 278.352 3.325 20 0 CGADMM Cc1onc(C2CC2)c1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335214518 375234621 /nfs/dbraw/zinc/23/46/21/375234621.db2.gz GGTIEOSVFXYODS-UHFFFAOYSA-N -1 1 294.257 3.097 20 0 CGADMM CO[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H]1C ZINC000335477709 375320338 /nfs/dbraw/zinc/32/03/38/375320338.db2.gz YGUGNWYBPKUURS-YVEFUNNKSA-N -1 1 299.370 3.042 20 0 CGADMM CO[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H]1C ZINC000335477707 375320640 /nfs/dbraw/zinc/32/06/40/375320640.db2.gz YGUGNWYBPKUURS-SJCJKPOMSA-N -1 1 299.370 3.042 20 0 CGADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)n1C ZINC000335733311 375385797 /nfs/dbraw/zinc/38/57/97/375385797.db2.gz XAFLWXVGZIETSW-UHFFFAOYSA-N -1 1 278.739 3.253 20 0 CGADMM C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000519399625 375835977 /nfs/dbraw/zinc/83/59/77/375835977.db2.gz XPPISNHTCNIVOE-UTUOFQBUSA-N -1 1 294.395 3.076 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H](C)CCc2ccccc2)n1 ZINC000193545322 375893215 /nfs/dbraw/zinc/89/32/15/375893215.db2.gz MFMUJCRHICYCIC-NSHDSACASA-N -1 1 290.388 3.310 20 0 CGADMM CCC1CCC(CN=c2nc([C@H](C)OC)[n-]s2)CC1 ZINC000336810341 375962623 /nfs/dbraw/zinc/96/26/23/375962623.db2.gz ZPWVQDLDABRDBI-UNXYVOJBSA-N -1 1 283.441 3.296 20 0 CGADMM CCc1csc(CC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000338223737 376289956 /nfs/dbraw/zinc/28/99/56/376289956.db2.gz UXTDJGGEUUELEN-UHFFFAOYSA-N -1 1 296.779 3.246 20 0 CGADMM CCC(CC)(OC)c1noc(-c2ccc(OC)cc2[O-])n1 ZINC000227834004 376415214 /nfs/dbraw/zinc/41/52/14/376415214.db2.gz SWQFYTBSLYOSSM-UHFFFAOYSA-N -1 1 292.335 3.113 20 0 CGADMM CCc1nc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cs1 ZINC000135038245 542086498 /nfs/dbraw/zinc/08/64/98/542086498.db2.gz DUITWDPGPRGSAQ-LLVKDONJSA-N -1 1 296.436 3.028 20 0 CGADMM O=C(N[C@H]1CCCC[C@H]1c1ccccc1)c1cncc([O-])c1 ZINC000339815640 376856002 /nfs/dbraw/zinc/85/60/02/376856002.db2.gz TXEBTKHIKOZDFE-IRXDYDNUSA-N -1 1 296.370 3.243 20 0 CGADMM C[C@H](CC(=O)Nc1ccc(F)cc1[O-])c1cccnc1 ZINC000340328740 377004492 /nfs/dbraw/zinc/00/44/92/377004492.db2.gz CJOBEYXIKDSNFF-SNVBAGLBSA-N -1 1 274.295 3.059 20 0 CGADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(F)cc1[O-] ZINC000340329784 377005509 /nfs/dbraw/zinc/00/55/09/377005509.db2.gz GOUZXBHEADSBAJ-IINYFYTJSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@H]1CC[C@H](CC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000340328754 377005608 /nfs/dbraw/zinc/00/56/08/377005608.db2.gz QVAUICWOBAKVKQ-UWVGGRQHSA-N -1 1 251.301 3.296 20 0 CGADMM COc1ccc(C(=O)Nc2cc(C)cc(F)c2)c([O-])c1 ZINC000091516317 249031145 /nfs/dbraw/zinc/03/11/45/249031145.db2.gz LQDBMOGHBQMRTB-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM O=C([O-])C[C@@H]1CCCCN1Cc1cccc(Cl)c1F ZINC000167040354 542174688 /nfs/dbraw/zinc/17/46/88/542174688.db2.gz YVHCWQQITXAPKI-NSHDSACASA-N -1 1 285.746 3.308 20 0 CGADMM CCOC[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000313458644 249092342 /nfs/dbraw/zinc/09/23/42/249092342.db2.gz IYSFYBOHRPJZFW-LBPRGKRZSA-N -1 1 297.782 3.077 20 0 CGADMM CC(C)n1cnc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000334199123 249100048 /nfs/dbraw/zinc/10/00/48/249100048.db2.gz PBOOOPVFGRPPFX-UHFFFAOYSA-N -1 1 279.727 3.075 20 0 CGADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cccc(Cl)c2F)C1 ZINC000263369941 377929350 /nfs/dbraw/zinc/92/93/50/377929350.db2.gz VBSCVAWFNIIPET-MWLCHTKSSA-N -1 1 285.746 3.022 20 0 CGADMM Cc1noc(C)c1C(C)(C)NCc1ccc(C(=O)[O-])cc1 ZINC000263431298 377936602 /nfs/dbraw/zinc/93/66/02/377936602.db2.gz SGKJVCBJCXSAEX-UHFFFAOYSA-N -1 1 288.347 3.015 20 0 CGADMM CC1=CCN(Cc2c(Cl)cccc2C(=O)[O-])CC1 ZINC000577856560 378017920 /nfs/dbraw/zinc/01/79/20/378017920.db2.gz AXZOVQOTSMBDPP-UHFFFAOYSA-N -1 1 265.740 3.190 20 0 CGADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000578953611 378115506 /nfs/dbraw/zinc/11/55/06/378115506.db2.gz YWLAWYJONRWYFB-SGMGOOAPSA-N -1 1 297.358 3.157 20 0 CGADMM CN(Cc1nc2ccccc2s1)Cc1ncccc1[O-] ZINC000578801007 378101605 /nfs/dbraw/zinc/10/16/05/378101605.db2.gz KNHHNJKLKVUCNL-UHFFFAOYSA-N -1 1 285.372 3.029 20 0 CGADMM O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1cncc([O-])c1 ZINC000582317567 378303860 /nfs/dbraw/zinc/30/38/60/378303860.db2.gz XSZNJUKDLSMDDB-GOEBONIOSA-N -1 1 296.370 3.243 20 0 CGADMM COCC[C@H]([N-]c1nc(C(C)C)no1)c1ccc(C)o1 ZINC000272270898 378600577 /nfs/dbraw/zinc/60/05/77/378600577.db2.gz WNLQGJORTZZPFH-NSHDSACASA-N -1 1 279.340 3.284 20 0 CGADMM CCSc1cccc(CNCc2cc(C(=O)[O-])co2)c1 ZINC000276935903 379024648 /nfs/dbraw/zinc/02/46/48/379024648.db2.gz BZYSXNKHBWAXBP-UHFFFAOYSA-N -1 1 291.372 3.380 20 0 CGADMM CC(C)Oc1cccc(CNCc2cc(C(=O)[O-])co2)c1 ZINC000276941044 379026613 /nfs/dbraw/zinc/02/66/13/379026613.db2.gz CNTKHFPVXZXKGR-UHFFFAOYSA-N -1 1 289.331 3.055 20 0 CGADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1cccnc1 ZINC000277694972 379218173 /nfs/dbraw/zinc/21/81/73/379218173.db2.gz MCOLESIDFRIAEJ-VIFPVBQESA-N -1 1 273.361 3.308 20 0 CGADMM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ncccc3[O-])C2)cc1 ZINC000278836969 194176545 /nfs/dbraw/zinc/17/65/45/194176545.db2.gz CXWPTUFVVWUHSN-ZFWWWQNUSA-N -1 1 296.370 3.114 20 0 CGADMM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)cc1 ZINC000278836962 194177109 /nfs/dbraw/zinc/17/71/09/194177109.db2.gz CXWPTUFVVWUHSN-HIFRSBDPSA-N -1 1 296.370 3.114 20 0 CGADMM [O-]c1ccc(-c2noc(CC[C@H]3CCCCO3)n2)c(F)c1 ZINC000277891429 379259697 /nfs/dbraw/zinc/25/96/97/379259697.db2.gz CYCYRZNXVGAWOI-LLVKDONJSA-N -1 1 292.310 3.083 20 0 CGADMM [O-]c1ccc(-c2noc(CC3CC3)n2)c(Cl)c1 ZINC000277898746 379259858 /nfs/dbraw/zinc/25/98/58/379259858.db2.gz DKNZNKSRDPOKRJ-UHFFFAOYSA-N -1 1 250.685 3.048 20 0 CGADMM CC(=O)CCCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278219766 379319790 /nfs/dbraw/zinc/31/97/90/379319790.db2.gz QVKGUHTZWGVWJZ-UHFFFAOYSA-N -1 1 280.711 3.007 20 0 CGADMM CC[C@H]1CC[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)O1 ZINC000278320849 379345917 /nfs/dbraw/zinc/34/59/17/379345917.db2.gz YXYCSBBZIWTJKA-JOYOIKCWSA-N -1 1 278.283 3.211 20 0 CGADMM [O-]c1ccc(-c2noc(Cc3cccnc3)n2)c(Cl)c1 ZINC000350819047 379589562 /nfs/dbraw/zinc/58/95/62/379589562.db2.gz YCZGOBILNFSVTK-UHFFFAOYSA-N -1 1 287.706 3.081 20 0 CGADMM CC[C@H]1C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCO1 ZINC000350826477 379591281 /nfs/dbraw/zinc/59/12/81/379591281.db2.gz XACRBNWRGUBPHK-QWRGUYRKSA-N -1 1 292.310 3.254 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cc(C4CC4)on3)n2)cc1F ZINC000350823058 379591648 /nfs/dbraw/zinc/59/16/48/379591648.db2.gz JLHCITHSXWRYQX-UHFFFAOYSA-N -1 1 287.250 3.114 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cccc4c[nH]nc43)n2)cc1F ZINC000350821763 379592034 /nfs/dbraw/zinc/59/20/34/379592034.db2.gz ASKACWQNCJBGPU-UHFFFAOYSA-N -1 1 296.261 3.125 20 0 CGADMM C[C@H](CNC(=O)N=c1[n-]sc2ccccc21)CC(F)F ZINC000640337010 379769995 /nfs/dbraw/zinc/76/99/95/379769995.db2.gz DMRIOQOZWGTHEC-QMMMGPOBSA-N -1 1 299.346 3.131 20 0 CGADMM CCN(CCC1CC1)C(=O)N=c1[n-]sc2ccccc21 ZINC000640339668 379770094 /nfs/dbraw/zinc/77/00/94/379770094.db2.gz UMGHDCXAAACBJD-UHFFFAOYSA-N -1 1 289.404 3.372 20 0 CGADMM CCCc1sc(C(=O)Nc2ccncc2[O-])cc1CC ZINC000409452794 380037317 /nfs/dbraw/zinc/03/73/17/380037317.db2.gz MAYLQFBTGCTJFP-UHFFFAOYSA-N -1 1 290.388 3.038 20 0 CGADMM COCCN(C(=O)c1ccc(Cl)cc1[O-])C1CCCC1 ZINC000642069017 380136695 /nfs/dbraw/zinc/13/66/95/380136695.db2.gz XIVCASFHMFGMFP-UHFFFAOYSA-N -1 1 297.782 3.077 20 0 CGADMM [O-]c1ccc(-c2noc(CCCC3CC3)n2)cc1F ZINC000643359894 380296228 /nfs/dbraw/zinc/29/62/28/380296228.db2.gz KJEUPUYHTKYEBW-UHFFFAOYSA-N -1 1 262.284 3.314 20 0 CGADMM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ncccc1O ZINC000354401543 380425545 /nfs/dbraw/zinc/42/55/45/380425545.db2.gz PNQCWRQTFQHITK-UHFFFAOYSA-N -1 1 299.113 3.052 20 0 CGADMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(Cl)o1)c1ccccc1 ZINC000417563038 380640182 /nfs/dbraw/zinc/64/01/82/380640182.db2.gz MYACICTXTZTSDE-IINYFYTJSA-N -1 1 293.750 3.485 20 0 CGADMM O=C([O-])[C@@H](CC1CC1)NCc1ccc(-c2ccccc2)o1 ZINC000417615258 380651909 /nfs/dbraw/zinc/65/19/09/380651909.db2.gz CIORYXGCUMWYAR-OAHLLOKOSA-N -1 1 285.343 3.290 20 0 CGADMM CC(=O)c1cc(C(=O)Nc2c([O-])cccc2F)cs1 ZINC000645926896 380780678 /nfs/dbraw/zinc/78/06/78/380780678.db2.gz JSSUVASNLXMPHV-UHFFFAOYSA-N -1 1 279.292 3.048 20 0 CGADMM CCc1ccc(-c2ccc(CN[C@@H](CC)C(=O)[O-])o2)cc1 ZINC000362346672 381951866 /nfs/dbraw/zinc/95/18/66/381951866.db2.gz NPCPPZUSTWFFOC-HNNXBMFYSA-N -1 1 287.359 3.462 20 0 CGADMM CC(C)[C@H]1C[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289124501 197241281 /nfs/dbraw/zinc/24/12/81/197241281.db2.gz QQFYGZBAHNBKED-ZJUUUORDSA-N -1 1 262.284 3.341 20 0 CGADMM C[C@@H]1OCCC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289067832 197225904 /nfs/dbraw/zinc/22/59/04/197225904.db2.gz MBALHPCSSZIJDP-WPRPVWTQSA-N -1 1 294.738 3.378 20 0 CGADMM CC(C)(C)CCC[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000312151368 542432778 /nfs/dbraw/zinc/43/27/78/542432778.db2.gz AZEPMNAYOYIWBG-OAHLLOKOSA-N -1 1 275.392 3.497 20 0 CGADMM CC(C)(CC(=O)Nc1ccc(F)cc1[O-])C(F)(F)F ZINC000281347913 195205529 /nfs/dbraw/zinc/20/55/29/195205529.db2.gz CDEOCDOGNHSMFS-UHFFFAOYSA-N -1 1 279.233 3.448 20 0 CGADMM COC[C@@]1(C)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000294109767 285321558 /nfs/dbraw/zinc/32/15/58/285321558.db2.gz CRTATDTWWUUSHE-SFHVURJKSA-N -1 1 299.370 3.044 20 0 CGADMM [O-]c1ccc(-c2noc(-c3coc(C4CC4)n3)n2)c(F)c1 ZINC000350607955 542535130 /nfs/dbraw/zinc/53/51/30/542535130.db2.gz IURVFFPRWDTQNJ-UHFFFAOYSA-N -1 1 287.250 3.114 20 0 CGADMM CO[C@@H](C)c1nc(=NCC(C)(C)CC(C)C)s[n-]1 ZINC000391169885 262385243 /nfs/dbraw/zinc/38/52/43/262385243.db2.gz YKLGDGYGJMLUAY-JTQLQIEISA-N -1 1 271.430 3.152 20 0 CGADMM O=C([O-])[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000003754694 391919198 /nfs/dbraw/zinc/91/91/98/391919198.db2.gz BSXFISPKLICGKD-GFCCVEGCSA-N -1 1 288.174 3.433 20 0 CGADMM Cc1cc(C)cc(N(C)C(=O)c2ccccc2[O-])c1 ZINC000048443159 392000682 /nfs/dbraw/zinc/00/06/82/392000682.db2.gz DWVUVJUSASFFBI-UHFFFAOYSA-N -1 1 255.317 3.286 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])[C@H]1C ZINC000050566627 392064460 /nfs/dbraw/zinc/06/44/60/392064460.db2.gz USWDURZYOVCEIS-ZJUUUORDSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc([O-])cc1F ZINC000281973468 392265643 /nfs/dbraw/zinc/26/56/43/392265643.db2.gz FQJAEEVUKLBXPZ-VIFPVBQESA-N -1 1 287.281 3.087 20 0 CGADMM CCC(=O)c1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)cc1 ZINC000446143301 542669554 /nfs/dbraw/zinc/66/95/54/542669554.db2.gz HCTJQPPDZIALNE-UHFFFAOYSA-N -1 1 292.338 3.491 20 0 CGADMM C[C@@H](NCc1cccc([O-])c1Cl)C(F)(F)F ZINC000293056561 392518131 /nfs/dbraw/zinc/51/81/31/392518131.db2.gz UKXVFWGLULCBQL-ZCFIWIBFSA-N -1 1 253.651 3.086 20 0 CGADMM Cc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)n1 ZINC000372690444 392627681 /nfs/dbraw/zinc/62/76/81/392627681.db2.gz HOLIYEAIXAVUAA-MLGOLLRUSA-N -1 1 283.375 3.074 20 0 CGADMM CCc1nc(NC(=O)c2ccc([O-])cc2F)sc1C ZINC000181144678 392721453 /nfs/dbraw/zinc/72/14/53/392721453.db2.gz XJHAUUMMTXPPEV-UHFFFAOYSA-N -1 1 280.324 3.111 20 0 CGADMM CCC(CC)(C(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000647815890 392809192 /nfs/dbraw/zinc/80/91/92/392809192.db2.gz PSSXSEIXPPVSCG-UHFFFAOYSA-N -1 1 287.363 3.120 20 0 CGADMM O=C(NCc1ccc(C2CC2)cc1)c1ccc([O-])cc1F ZINC000191322795 392829857 /nfs/dbraw/zinc/82/98/57/392829857.db2.gz MXLSZYTWSRXFET-UHFFFAOYSA-N -1 1 285.318 3.339 20 0 CGADMM Cc1[nH]c2ccc(-c3nc4cccnc4c(=O)[n-]3)cc2c1C ZINC000491852313 542718253 /nfs/dbraw/zinc/71/82/53/542718253.db2.gz OBKPYJDPPAOUNL-UHFFFAOYSA-N -1 1 290.326 3.496 20 0 CGADMM CC1(C)CC(C[N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000548046079 393166986 /nfs/dbraw/zinc/16/69/86/393166986.db2.gz FUWUUMYCHJNWPN-UHFFFAOYSA-N -1 1 293.388 3.147 20 0 CGADMM C[C@@H]1CCN(Cc2cccc([O-])c2Cl)C[C@H]1F ZINC000646153373 393230655 /nfs/dbraw/zinc/23/06/55/393230655.db2.gz PUAGHENXKMTBGD-MWLCHTKSSA-N -1 1 257.736 3.226 20 0 CGADMM CC(C)(C)C1CC(NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000647235446 393403206 /nfs/dbraw/zinc/40/32/06/393403206.db2.gz RLTZEJJKONTFKF-UHFFFAOYSA-N -1 1 265.328 3.086 20 0 CGADMM CCCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483032 393798737 /nfs/dbraw/zinc/79/87/37/393798737.db2.gz USDIVMTXDSLFCQ-UHFFFAOYSA-N -1 1 250.273 3.314 20 0 CGADMM CC(C)[C@H]1CCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000667207825 542853397 /nfs/dbraw/zinc/85/33/97/542853397.db2.gz CSWKQHPAVZPFDI-CQSZACIVSA-N -1 1 284.359 3.201 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cnn(C(C)C)c2)c1 ZINC000668018240 542958802 /nfs/dbraw/zinc/95/88/02/542958802.db2.gz FGOXOTSEJFUGDM-UHFFFAOYSA-N -1 1 291.376 3.144 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]2C[C@H]21 ZINC000672129469 543199150 /nfs/dbraw/zinc/19/91/50/543199150.db2.gz YEOJPLPPCKASSI-DZGCQCFKSA-N -1 1 267.328 3.170 20 0 CGADMM C[C@@H]1CC[C@@H](CC(=O)Nc2c([O-])cccc2F)C1 ZINC000675228275 543323854 /nfs/dbraw/zinc/32/38/54/543323854.db2.gz OETGGJPWKLRAEE-NXEZZACHSA-N -1 1 251.301 3.296 20 0 CGADMM CCC(=O)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000675522966 543345643 /nfs/dbraw/zinc/34/56/43/543345643.db2.gz HEUZVEBJMCHWAQ-UHFFFAOYSA-N -1 1 287.290 3.376 20 0 CGADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000677892056 543471374 /nfs/dbraw/zinc/47/13/74/543471374.db2.gz TWFRYYYYHTYPFU-MRVPVSSYSA-N -1 1 291.326 3.004 20 0 CGADMM COc1c(F)cc(NC(=O)c2cc(F)ccc2[O-])cc1F ZINC000080003746 287062385 /nfs/dbraw/zinc/06/23/85/287062385.db2.gz WFLCJBJENRRXJE-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1c(F)cccc1F ZINC000089395745 287089350 /nfs/dbraw/zinc/08/93/50/287089350.db2.gz WQTSUAQRZLRGQH-UHFFFAOYSA-N -1 1 266.247 3.076 20 0 CGADMM Cc1cc(OC(C)C)ccc1NC(=O)c1cncc([O-])c1 ZINC000111775422 287136840 /nfs/dbraw/zinc/13/68/40/287136840.db2.gz MPBGEAWDGUFJJP-UHFFFAOYSA-N -1 1 286.331 3.135 20 0 CGADMM COc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000124048308 287229039 /nfs/dbraw/zinc/22/90/39/287229039.db2.gz GMOGKIQOQVDCIE-SNVBAGLBSA-N -1 1 289.306 3.031 20 0 CGADMM CN(Cc1cccc(F)c1)C(=O)c1cc(Cl)ccc1[O-] ZINC000020293392 171134695 /nfs/dbraw/zinc/13/46/95/171134695.db2.gz WRDQHJVJQHZNAN-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM CC[C@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1Cl ZINC000044622633 175220595 /nfs/dbraw/zinc/22/05/95/175220595.db2.gz YXZBXPCCHATHOQ-LLVKDONJSA-N -1 1 276.163 3.288 20 0 CGADMM Cc1c(F)cccc1NC(=O)c1cc(F)ccc1[O-] ZINC000128644860 287315337 /nfs/dbraw/zinc/31/53/37/287315337.db2.gz PLXWDQLIPIFJIT-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CC[C@H]1CN(Cc2cccc([O-])c2Cl)[C@@H](CC)CO1 ZINC000403847712 416550026 /nfs/dbraw/zinc/55/00/26/416550026.db2.gz RDBFZYLUXVNDBY-STQMWFEESA-N -1 1 283.799 3.435 20 0 CGADMM CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@H](CC)CO1 ZINC000403908618 416550783 /nfs/dbraw/zinc/55/07/83/416550783.db2.gz MOOWEAQQPQBWOF-VXGBXAGGSA-N -1 1 297.782 3.075 20 0 CGADMM CCn1ncc2ccc(NC(=O)c3ccc([O-])c(F)c3)cc21 ZINC000681032914 543758913 /nfs/dbraw/zinc/75/89/13/543758913.db2.gz YFPOGHOYWUIXJE-UHFFFAOYSA-N -1 1 299.305 3.153 20 0 CGADMM CC1(C)CCC(NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681049008 543760121 /nfs/dbraw/zinc/76/01/21/543760121.db2.gz KWCQZCYESWESIX-UHFFFAOYSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc([O-])c(F)c2)[C@H](C)C1 ZINC000681046478 543760632 /nfs/dbraw/zinc/76/06/32/543760632.db2.gz KOZYNAGPKJNRIN-BREBYQMCSA-N -1 1 265.328 3.086 20 0 CGADMM CC(C)CC1(CNC(=O)c2ccc([O-])c(F)c2)CCC1 ZINC000681053732 543761084 /nfs/dbraw/zinc/76/10/84/543761084.db2.gz CEBUFFVYMGETLE-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM C[C@@]1(c2ccccc2)CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681054059 543761335 /nfs/dbraw/zinc/76/13/35/543761335.db2.gz FNYOAVGTUUOXBT-GOSISDBHSA-N -1 1 299.345 3.335 20 0 CGADMM CCc1ccc(O)c(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681059497 543762023 /nfs/dbraw/zinc/76/20/23/543762023.db2.gz UWMLYGQBYRPKCG-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1c([O-])cccc1F ZINC000681059126 543762188 /nfs/dbraw/zinc/76/21/88/543762188.db2.gz JTYFWMGJQKPLOA-FZMZJTMJSA-N -1 1 295.354 3.455 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)CC1(C)C ZINC000681070018 543762798 /nfs/dbraw/zinc/76/27/98/543762798.db2.gz UQRWDYNSXHKFDZ-SNVBAGLBSA-N -1 1 265.328 3.040 20 0 CGADMM COc1ccncc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000131421322 287379531 /nfs/dbraw/zinc/37/95/31/287379531.db2.gz DBAOYPVPSOKDHS-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM CC(C)(C)CCNC(=O)c1ccc(Cl)cc1[O-] ZINC000131551341 287383586 /nfs/dbraw/zinc/38/35/86/287383586.db2.gz GHCBRLBHTVTFOM-UHFFFAOYSA-N -1 1 255.745 3.212 20 0 CGADMM C[C@@H](c1ccco1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000683592227 543927954 /nfs/dbraw/zinc/92/79/54/543927954.db2.gz UIQOPICZOZJVBJ-QMMMGPOBSA-N -1 1 274.251 3.326 20 0 CGADMM CC(C)CCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868579 544035267 /nfs/dbraw/zinc/03/52/67/544035267.db2.gz GDZNVKCLWFMLMY-UHFFFAOYSA-N -1 1 275.270 3.187 20 0 CGADMM Cc1ccccc1Cc1noc(-c2cc(F)ccc2[O-])n1 ZINC000132988110 287414809 /nfs/dbraw/zinc/41/48/09/287414809.db2.gz WZGFTXGVZNYUDU-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM COc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1Cl ZINC000149002793 287496702 /nfs/dbraw/zinc/49/67/02/287496702.db2.gz MKBUAPGFMWGBLJ-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM Cc1ccc(CN(Cc2cccc(C(=O)[O-])c2)C2CC2)o1 ZINC000652387709 418960502 /nfs/dbraw/zinc/96/05/02/418960502.db2.gz MCRHBINOFYCPND-UHFFFAOYSA-N -1 1 285.343 3.451 20 0 CGADMM CC(C)(CNC(=O)c1ccc([O-])c(F)c1)C1=CCCC1 ZINC000654594373 418988972 /nfs/dbraw/zinc/98/89/72/418988972.db2.gz FGFJIHSYPFQYCB-UHFFFAOYSA-N -1 1 277.339 3.398 20 0 CGADMM Cc1oc(CN2CCc3ccc(C)cc3C2)cc1C(=O)[O-] ZINC000656758975 419210301 /nfs/dbraw/zinc/21/03/01/419210301.db2.gz RLGAKZKFWBEKNF-UHFFFAOYSA-N -1 1 285.343 3.153 20 0 CGADMM CC12CC(C1)CN2[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000663315566 419552467 /nfs/dbraw/zinc/55/24/67/419552467.db2.gz JTXQNIDMGGUWJW-ZAQGZADTSA-N -1 1 283.730 3.089 20 0 CGADMM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccccc1[O-] ZINC000029278440 270026408 /nfs/dbraw/zinc/02/64/08/270026408.db2.gz HJMIZLQMHFAFKU-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM O=C(NCC1CCCC1)c1ccc2ccccc2c1[O-] ZINC000037251367 270029403 /nfs/dbraw/zinc/02/94/03/270029403.db2.gz NUJNAKSJANMUPU-UHFFFAOYSA-N -1 1 269.344 3.465 20 0 CGADMM O=C(c1ccc(Br)cc1[O-])N1CCCCCC1 ZINC000044490248 270035305 /nfs/dbraw/zinc/03/53/05/270035305.db2.gz SZYCXVVACAAGCT-UHFFFAOYSA-N -1 1 298.180 3.171 20 0 CGADMM CCC(C)(C)NC(=O)c1cc(Br)ccc1[O-] ZINC000217427807 270085096 /nfs/dbraw/zinc/08/50/96/270085096.db2.gz OSKINICOUUYYBJ-UHFFFAOYSA-N -1 1 286.169 3.073 20 0 CGADMM CS[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000227355474 270087073 /nfs/dbraw/zinc/08/70/73/270087073.db2.gz OUBWDWWGTXZJHN-WDEREUQCSA-N -1 1 299.823 3.450 20 0 CGADMM O=C(NCc1ccc(F)c(Cl)c1)c1c([O-])cccc1F ZINC000228844528 270087950 /nfs/dbraw/zinc/08/79/50/270087950.db2.gz SWYRXDKSQGJEQR-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM CCc1ccc(CNC(=O)c2c([O-])cccc2F)s1 ZINC000228863657 270088384 /nfs/dbraw/zinc/08/83/84/270088384.db2.gz ZPTAZCZEBRPTNV-UHFFFAOYSA-N -1 1 279.336 3.085 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2c([O-])cccc2F)C[C@@H]1C ZINC000228867190 270088160 /nfs/dbraw/zinc/08/81/60/270088160.db2.gz JIBQDHMNXKLGIY-OUAUKWLOSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@@H](C1CCC1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000325469716 270095027 /nfs/dbraw/zinc/09/50/27/270095027.db2.gz VFFIHRNWWUUVIM-VIFPVBQESA-N -1 1 267.756 3.306 20 0 CGADMM C[C@@H](Oc1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000523729663 270110727 /nfs/dbraw/zinc/11/07/27/270110727.db2.gz GMPZPAZBLRQSJV-GFCCVEGCSA-N -1 1 291.372 3.198 20 0 CGADMM CC(C)c1nc(=N[C@H]2CCC[C@@H](C(C)C)C2)o[n-]1 ZINC000524241707 270112297 /nfs/dbraw/zinc/11/22/97/270112297.db2.gz FPPLYLXEFUBCHI-NEPJUHHUSA-N -1 1 251.374 3.242 20 0 CGADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000528169869 270156306 /nfs/dbraw/zinc/15/63/06/270156306.db2.gz VKSWPTKTUUFZBZ-NMSKTSORSA-N -1 1 292.310 3.108 20 0 CGADMM CC[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H](CC)O1 ZINC000398757489 288047899 /nfs/dbraw/zinc/04/78/99/288047899.db2.gz CAMKMCKDHNEBHO-RYUDHWBXSA-N -1 1 297.782 3.075 20 0 CGADMM CC[C@]1(C)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000399314365 288051082 /nfs/dbraw/zinc/05/10/82/288051082.db2.gz UVRBAQPUPDOMAU-CQSZACIVSA-N -1 1 267.756 3.308 20 0 CGADMM COc1cc(C(=O)N[C@@H](C)CCC2CC2)cc(Cl)c1[O-] ZINC000443130268 288070304 /nfs/dbraw/zinc/07/03/04/288070304.db2.gz HVIJPIJKZGOGFB-VIFPVBQESA-N -1 1 297.782 3.363 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccn(C2CCCC2)n1 ZINC000530004102 288280807 /nfs/dbraw/zinc/28/08/07/288280807.db2.gz AOVAMKQTGZPNLO-UHFFFAOYSA-N -1 1 289.310 3.095 20 0 CGADMM CC(C)[C@H]1C[C@H](CC(=O)Nc2cccc(F)c2[O-])CCO1 ZINC000530006682 288282212 /nfs/dbraw/zinc/28/22/12/288282212.db2.gz SWWXVENBTNRCIM-BXUZGUMPSA-N -1 1 295.354 3.311 20 0 CGADMM C[C@H]1CC(F)(F)CCN1Cc1ccsc1C(=O)[O-] ZINC000530171873 288292271 /nfs/dbraw/zinc/29/22/71/288292271.db2.gz CTDPORJQNCJGBN-QMMMGPOBSA-N -1 1 275.320 3.066 20 0 CGADMM CC1(C)Cc2cccc(NC(=O)c3ccc(O)cc3[O-])c2O1 ZINC000530406340 288305143 /nfs/dbraw/zinc/30/51/43/288305143.db2.gz UWVOSMPSRHKEMQ-UHFFFAOYSA-N -1 1 299.326 3.064 20 0 CGADMM O=C(CCc1cccc(F)c1F)Nc1ccc(F)cc1[O-] ZINC000532012818 288349890 /nfs/dbraw/zinc/34/98/90/288349890.db2.gz JBEILQYGPNGOGR-UHFFFAOYSA-N -1 1 295.260 3.381 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)C2(C)CCCCC2)c1 ZINC000548886776 289028019 /nfs/dbraw/zinc/02/80/19/289028019.db2.gz MKXUIXYLGMHSAD-UHFFFAOYSA-N -1 1 291.347 3.088 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CCC(C)(C)C[C@H]2C)s[n-]1 ZINC000337868272 294342135 /nfs/dbraw/zinc/34/21/35/294342135.db2.gz LZOJXSHPOIZDRY-GMTAPVOTSA-N -1 1 283.441 3.294 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CC[C@@H]4C[C@@H]4C3)n2)c(F)c1 ZINC000567600566 322169785 /nfs/dbraw/zinc/16/97/85/322169785.db2.gz HKVFEHMBSUVQJU-OPRDCNLKSA-N -1 1 274.295 3.485 20 0 CGADMM C[C@@H]1CN(CCCCCC(=O)[O-])C[C@H](c2ccccc2)O1 ZINC000568772453 322222270 /nfs/dbraw/zinc/22/22/70/322222270.db2.gz SNOVCWSYJMPUDB-GDBMZVCRSA-N -1 1 291.391 3.093 20 0 CGADMM C[C@@H](c1c(F)cccc1F)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000568883164 322226324 /nfs/dbraw/zinc/22/63/24/322226324.db2.gz SDLXMZOAWJVGHE-OUAUKWLOSA-N -1 1 283.318 3.068 20 0 CGADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)oc1C ZINC000569191899 322238648 /nfs/dbraw/zinc/23/86/48/322238648.db2.gz CLOHELBDQBPJGG-UHFFFAOYSA-N -1 1 274.251 3.458 20 0 CGADMM CCC(CC)n1ccc(CSc2ncc(C)c(=O)[n-]2)n1 ZINC000569379678 322245963 /nfs/dbraw/zinc/24/59/63/322245963.db2.gz MKKWOLLITKZHDI-UHFFFAOYSA-N -1 1 292.408 3.341 20 0 CGADMM O=C([O-])[C@H](c1ccccc1F)N1CCc2ccsc2C1 ZINC000570219933 322268185 /nfs/dbraw/zinc/26/81/85/322268185.db2.gz OVSYPYAGPLXCED-AWEZNQCLSA-N -1 1 291.347 3.071 20 0 CGADMM CC(=O)c1[n-]c(=N[C@H](C)c2cnn(C(C)C)c2)sc1C ZINC000570247216 322268719 /nfs/dbraw/zinc/26/87/19/322268719.db2.gz CIAZTURRHNVMGJ-SECBINFHSA-N -1 1 292.408 3.027 20 0 CGADMM O=c1cc(C2CC2)nc(SCC[C@H]2CCCCO2)[n-]1 ZINC000570507710 322275122 /nfs/dbraw/zinc/27/51/22/322275122.db2.gz NZJQCXYMJULAAM-LLVKDONJSA-N -1 1 280.393 3.111 20 0 CGADMM Cc1ccc(CN(C)Cc2cc(C)c(C(=O)[O-])o2)s1 ZINC000572249411 322327371 /nfs/dbraw/zinc/32/73/71/322327371.db2.gz JAILVSPFUHCHPK-UHFFFAOYSA-N -1 1 279.361 3.288 20 0 CGADMM O=C([O-])c1ccoc1CN1CCC[C@H]1c1ccsc1 ZINC000572370326 322334094 /nfs/dbraw/zinc/33/40/94/322334094.db2.gz MKCIMOXSYJIDPL-LBPRGKRZSA-N -1 1 277.345 3.376 20 0 CGADMM Cc1nc(SCc2ccsc2)[n-]c(=O)c1C ZINC000574771154 322456865 /nfs/dbraw/zinc/45/68/65/322456865.db2.gz STATUVHXADCOSY-UHFFFAOYSA-N -1 1 252.364 3.153 20 0 CGADMM Cc1ccc(C)c(OCCSc2ncc(C)c(=O)[n-]2)c1 ZINC000582914530 329288181 /nfs/dbraw/zinc/28/81/81/329288181.db2.gz DJGYEKHNMINBIN-UHFFFAOYSA-N -1 1 290.388 3.279 20 0 CGADMM C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000576353011 335193306 /nfs/dbraw/zinc/19/33/06/335193306.db2.gz MFFHGFRSFICANR-JTQLQIEISA-N -1 1 277.295 3.310 20 0 CGADMM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000577689372 335388859 /nfs/dbraw/zinc/38/88/59/335388859.db2.gz PZEBEMARFYXUEX-AAEUAGOBSA-N -1 1 293.388 3.147 20 0 CGADMM [O-]c1ccc(-c2noc(-c3conc3C3CC3)n2)cc1F ZINC000350571789 335515254 /nfs/dbraw/zinc/51/52/54/335515254.db2.gz YIQYOJVXZCHKNP-UHFFFAOYSA-N -1 1 287.250 3.114 20 0 CGADMM O=C(NCCCCF)c1ccc2ccccc2c1[O-] ZINC000381828695 336073761 /nfs/dbraw/zinc/07/37/61/336073761.db2.gz ISUNWBUPXFTMKE-UHFFFAOYSA-N -1 1 261.296 3.025 20 0 CGADMM Cc1csc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000385998636 336164037 /nfs/dbraw/zinc/16/40/37/336164037.db2.gz RDNPCFYCDWMGHX-UHFFFAOYSA-N -1 1 281.764 3.346 20 0 CGADMM O=c1[nH]c(C=Cc2ccc([O-])c(Cl)c2)nc2cnccc12 ZINC000255475069 501086363 /nfs/dbraw/zinc/08/63/63/501086363.db2.gz ZYJPJJREZRCKJM-RQOWECAXSA-N -1 1 299.717 3.260 20 0 CGADMM O=C(NCc1coc2ccccc12)c1ccc([O-])cc1F ZINC000436937243 534697314 /nfs/dbraw/zinc/69/73/14/534697314.db2.gz FAEZMFNJMJRVGW-UHFFFAOYSA-N -1 1 285.274 3.208 20 0 CGADMM CC[C@H]1C[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000183607933 523393496 /nfs/dbraw/zinc/39/34/96/523393496.db2.gz YEYRNLZNTPDACT-KOLCDFICSA-N -1 1 283.755 3.189 20 0 CGADMM CCCCn1nccc1NC(=O)c1ccc(CC)cc1[O-] ZINC000436827004 527717325 /nfs/dbraw/zinc/71/73/25/527717325.db2.gz ITIINAOBDYPWJW-UHFFFAOYSA-N -1 1 287.363 3.204 20 0 CGADMM CC(C)Oc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436675711 528181565 /nfs/dbraw/zinc/18/15/65/528181565.db2.gz WTESVAXPCWNXTK-UHFFFAOYSA-N -1 1 299.326 3.001 20 0 CGADMM CC(C)CSCCCNC(=O)c1c([O-])cccc1F ZINC000436986778 528218803 /nfs/dbraw/zinc/21/88/03/528218803.db2.gz GZIHRTGGBSQFFH-UHFFFAOYSA-N -1 1 285.384 3.040 20 0 CGADMM CCCCC[C@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000436964187 528272954 /nfs/dbraw/zinc/27/29/54/528272954.db2.gz PRSRCGGNBDIJEL-AWEZNQCLSA-N -1 1 289.375 3.146 20 0 CGADMM CCCCCn1nc(C)cc1NC(=O)c1ccccc1[O-] ZINC000436575719 528296534 /nfs/dbraw/zinc/29/65/34/528296534.db2.gz OVCTVAMZMKEXFL-UHFFFAOYSA-N -1 1 287.363 3.340 20 0 CGADMM CC[C@H](C)n1ncc(NC(=O)c2ccccc2[O-])c1C ZINC000436596783 529294090 /nfs/dbraw/zinc/29/40/90/529294090.db2.gz NOCCTYLNEIWMQL-JTQLQIEISA-N -1 1 273.336 3.120 20 0 CGADMM CCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000450963266 535184349 /nfs/dbraw/zinc/18/43/49/535184349.db2.gz AHDAGACXFYUILT-UHFFFAOYSA-N -1 1 289.809 3.243 20 0 CGADMM C[C@@H](CCC(=O)[N-]OCC(F)(F)F)c1ccccc1 ZINC000749962250 573068216 /nfs/dbraw/zinc/06/82/16/573068216.db2.gz SOSASIBPEZFKKJ-JTQLQIEISA-N -1 1 275.270 3.180 20 0 CGADMM CC(C)c1ocnc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000731986382 572443058 /nfs/dbraw/zinc/44/30/58/572443058.db2.gz MMIGORQUAWYFHQ-UHFFFAOYSA-N -1 1 294.380 3.199 20 0 CGADMM O=C([N-]Cc1ccc(OC2CCCC2)cc1)C(F)(F)F ZINC000725897114 572487207 /nfs/dbraw/zinc/48/72/07/572487207.db2.gz VLNDWPHVESQPTN-UHFFFAOYSA-N -1 1 287.281 3.187 20 0 CGADMM Cc1onc(-c2ccc(F)cc2)c1C(=O)[N-]c1cnoc1 ZINC000749556000 573018178 /nfs/dbraw/zinc/01/81/78/573018178.db2.gz IGESOHNIZPELRF-UHFFFAOYSA-N -1 1 287.250 3.029 20 0 CGADMM CC(C)c1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000820197447 607310552 /nfs/dbraw/zinc/31/05/52/607310552.db2.gz IZEKLWUXKVOYFB-UHFFFAOYSA-N -1 1 283.335 3.195 20 0 CGADMM CC(C)c1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000820197447 607310553 /nfs/dbraw/zinc/31/05/53/607310553.db2.gz IZEKLWUXKVOYFB-UHFFFAOYSA-N -1 1 283.335 3.195 20 0 CGADMM CC(C)c1ncc(CNCc2cccc(C(=O)[O-])c2)s1 ZINC000820061756 598194029 /nfs/dbraw/zinc/19/40/29/598194029.db2.gz PVRCBLPIHBSOFT-UHFFFAOYSA-N -1 1 290.388 3.255 20 0 CGADMM O=C([O-])c1cccc(CNCc2ccc3ccccc3n2)c1 ZINC000821552707 598194562 /nfs/dbraw/zinc/19/45/62/598194562.db2.gz PKPYKYMGPJJGKD-UHFFFAOYSA-N -1 1 292.338 3.223 20 0 CGADMM Cc1oc(CNC(C)(C)c2ccccc2)cc1C(=O)[O-] ZINC000394395071 599715062 /nfs/dbraw/zinc/71/50/62/599715062.db2.gz DXGMKJVMNHFTPP-UHFFFAOYSA-N -1 1 273.332 3.311 20 0 CGADMM C[C@@H](c1cc(F)ccc1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405364930 600293780 /nfs/dbraw/zinc/29/37/80/600293780.db2.gz SWVHLQDODITIRQ-GWCFXTLKSA-N -1 1 295.329 3.213 20 0 CGADMM Cc1cccc([C@@H](C)NCc2ccc(C(=O)[O-])o2)c1 ZINC000160162138 600749886 /nfs/dbraw/zinc/74/98/86/600749886.db2.gz DQTIKUJFRMBKJT-LLVKDONJSA-N -1 1 259.305 3.137 20 0 CGADMM Cc1cccc(F)c1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000832969468 600756581 /nfs/dbraw/zinc/75/65/81/600756581.db2.gz JVVDMEITTLBJCJ-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM CCCN(CC(=O)[O-])Cc1cnc(-c2ccccc2)s1 ZINC000262340792 601304446 /nfs/dbraw/zinc/30/44/46/601304446.db2.gz COIRRGBTUOIDGE-UHFFFAOYSA-N -1 1 290.388 3.107 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000830369216 601413505 /nfs/dbraw/zinc/41/35/05/601413505.db2.gz LLASGYSITMNLJZ-CYBMUJFWSA-N -1 1 288.347 3.205 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@@H]1c1ccccc1 ZINC000830369617 601420501 /nfs/dbraw/zinc/42/05/01/601420501.db2.gz PVCNKHLADTURNM-CQSZACIVSA-N -1 1 285.343 3.487 20 0 CGADMM CC[C@@](NC/C(Cl)=C\Cl)(C(=O)[O-])c1ccccc1 ZINC000828989076 602039727 /nfs/dbraw/zinc/03/97/27/602039727.db2.gz PCEREGICOAGXIY-YKWSONSWSA-N -1 1 288.174 3.285 20 0 CGADMM Cc1[n-]n(-c2cccc(C)c2Cl)c(=O)c1C1CC1 ZINC000899361744 620667234 /nfs/dbraw/zinc/66/72/34/620667234.db2.gz CGAYTGSUIFUKCG-GFCCVEGCSA-N -1 1 262.740 3.397 20 0 CGADMM CC(C)C[C@@H](CNC(=O)[O-])N[C@H](C)c1cccnc1Cl ZINC000824204563 604307279 /nfs/dbraw/zinc/30/72/79/604307279.db2.gz SYDWHHLOEGBLLG-MNOVXSKESA-N -1 1 299.802 3.068 20 0 CGADMM CN(CC(=O)[O-])Cc1ccc(-c2cccc(F)c2)s1 ZINC000833691871 604542442 /nfs/dbraw/zinc/54/24/42/604542442.db2.gz UZMQMFQCKHESSC-UHFFFAOYSA-N -1 1 279.336 3.071 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cncc([O-])c2)[C@@H]1c1ccccc1 ZINC000899377114 620674445 /nfs/dbraw/zinc/67/44/45/620674445.db2.gz UHKBYQILNUNBDC-WBMJQRKESA-N -1 1 282.343 3.011 20 0 CGADMM C[C@@H](NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccco1 ZINC000825397381 605118050 /nfs/dbraw/zinc/11/80/50/605118050.db2.gz KYGFRSJWQWDYPI-VXGBXAGGSA-N -1 1 288.347 3.459 20 0 CGADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000833739220 605124784 /nfs/dbraw/zinc/12/47/84/605124784.db2.gz SIDVUSFINOHYDJ-LLVKDONJSA-N -1 1 273.307 3.375 20 0 CGADMM CC(C)(NCc1cc(C(=O)[O-])co1)c1cccc(F)c1 ZINC000833460441 605141163 /nfs/dbraw/zinc/14/11/63/605141163.db2.gz CURZVFYFGNSHTH-UHFFFAOYSA-N -1 1 277.295 3.142 20 0 CGADMM O=C([O-])Nc1cccc(CN2CCc3ccc(O)cc3C2)c1 ZINC000834269807 605607231 /nfs/dbraw/zinc/60/72/31/605607231.db2.gz RWMFEQNDNQKUIX-UHFFFAOYSA-N -1 1 298.342 3.040 20 0 CGADMM CC1(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CCC1 ZINC000820623115 606428450 /nfs/dbraw/zinc/42/84/50/606428450.db2.gz FNCZWUKDDKAXBN-UHFFFAOYSA-N -1 1 294.362 3.017 20 0 CGADMM CC1(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CCC1 ZINC000820623115 606428451 /nfs/dbraw/zinc/42/84/51/606428451.db2.gz FNCZWUKDDKAXBN-UHFFFAOYSA-N -1 1 294.362 3.017 20 0 CGADMM Clc1ccc(Sc2cccs2)nc1-c1nnn[n-]1 ZINC000822578661 606455755 /nfs/dbraw/zinc/45/57/55/606455755.db2.gz NJSLITVDSBSBEB-UHFFFAOYSA-N -1 1 295.780 3.128 20 0 CGADMM Clc1ccc(Sc2cccs2)nc1-c1nn[n-]n1 ZINC000822578661 606455756 /nfs/dbraw/zinc/45/57/56/606455756.db2.gz NJSLITVDSBSBEB-UHFFFAOYSA-N -1 1 295.780 3.128 20 0 CGADMM CC(C)c1cccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000899966495 620740278 /nfs/dbraw/zinc/74/02/78/620740278.db2.gz FSBVPLLPARMKBW-UHFFFAOYSA-N -1 1 297.358 3.435 20 0 CGADMM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)o1 ZINC000900031967 620748412 /nfs/dbraw/zinc/74/84/12/620748412.db2.gz DSSLTIJAUFORLA-NSHDSACASA-N -1 1 295.360 3.045 20 0 CGADMM COc1ccc(O)c(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000070333803 617956123 /nfs/dbraw/zinc/95/61/23/617956123.db2.gz NZLKSRNFDKXQBD-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM CCC[C@@H](C)N(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900193471 620770238 /nfs/dbraw/zinc/77/02/38/620770238.db2.gz LIKXVYIVNSXIAN-SNVBAGLBSA-N -1 1 290.338 3.340 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1NC(=O)c1cc2ccccc2cc1[O-] ZINC000318131012 619259636 /nfs/dbraw/zinc/25/96/36/619259636.db2.gz SPILDGMFYOLPQY-BETUJISGSA-N -1 1 298.386 3.453 20 0 CGADMM C[C@H]1C[C@H](C)CN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000049083333 619681509 /nfs/dbraw/zinc/68/15/09/619681509.db2.gz CRNLLVYXKQBFNP-UWVGGRQHSA-N -1 1 267.756 3.164 20 0 CGADMM C[C@H](C1CC1)N(C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000895605106 619856897 /nfs/dbraw/zinc/85/68/97/619856897.db2.gz NLYVECNIYQDSOC-SNVBAGLBSA-N -1 1 285.343 3.122 20 0 CGADMM CC(C)[C@@H](CC(=O)[N-]OCc1ccccn1)c1ccccc1 ZINC000909529184 619895999 /nfs/dbraw/zinc/89/59/99/619895999.db2.gz CNWVVDRNXRZWNA-QGZVFWFLSA-N -1 1 298.386 3.459 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2n[nH]cc2c1 ZINC000144974078 620225505 /nfs/dbraw/zinc/22/55/05/620225505.db2.gz VNFLUMWXDOMPIE-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM Cc1cc(C)c(/C=C/CN2CC[C@@](F)(C(=O)[O-])C2)cc1C ZINC000901516812 620923878 /nfs/dbraw/zinc/92/38/78/620923878.db2.gz GRECPWMOJQLDDJ-BDUNBXCCSA-N -1 1 291.366 3.124 20 0 CGADMM CC[C@@H](C)C[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000901673372 620964284 /nfs/dbraw/zinc/96/42/84/620964284.db2.gz MLQQCBUHJLXVNQ-RISCZKNCSA-N -1 1 275.348 3.412 20 0 CGADMM CC[C@@H](C)C[C@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000901676591 620966119 /nfs/dbraw/zinc/96/61/19/620966119.db2.gz XKPSQRXBPUXJJJ-PWSUYJOCSA-N -1 1 298.452 3.420 20 0 CGADMM CC[C@H](CC(F)(F)F)NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902336256 621270788 /nfs/dbraw/zinc/27/07/88/621270788.db2.gz KWVKHISZADDBLW-SSJHQANKSA-N -1 1 291.269 3.198 20 0 CGADMM C[C@@H]1C[C@@H](NCC(F)(F)C(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000902469949 621340312 /nfs/dbraw/zinc/34/03/12/621340312.db2.gz CLQOVEZNLIARTM-VWYCJHECSA-N -1 1 277.355 3.147 20 0 CGADMM CC(C)(C)C(F)(F)CN[C@@H]1CC[C@@H](C(F)(F)C(=O)[O-])C1 ZINC000902469983 621340490 /nfs/dbraw/zinc/34/04/90/621340490.db2.gz DIHLWERBSQMGAH-RKDXNWHRSA-N -1 1 299.308 3.146 20 0 CGADMM C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc(C(=O)[O-])n1 ZINC000902509506 621349454 /nfs/dbraw/zinc/34/94/54/621349454.db2.gz MVXXVYMOHUSDDA-NSHDSACASA-N -1 1 288.322 3.112 20 0 CGADMM C[C@@H](c1ccc(F)cc1)N(C)Cc1cccc(C(=O)[O-])n1 ZINC000902509506 621349459 /nfs/dbraw/zinc/34/94/59/621349459.db2.gz MVXXVYMOHUSDDA-NSHDSACASA-N -1 1 288.322 3.112 20 0 CGADMM CCc1nccc(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000903676266 621787164 /nfs/dbraw/zinc/78/71/64/621787164.db2.gz NSTKXSMESOCGID-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM Cc1cc(-n2[n-]c3c(c2=O)[C@H](C)CC3)ccc1Cl ZINC000905027171 622031843 /nfs/dbraw/zinc/03/18/43/622031843.db2.gz XUMCDEWWGVNVLI-OQPBUACISA-N -1 1 262.740 3.397 20 0 CGADMM COc1cnc(C=Cc2ccccc2C(C)C)[n-]c1=O ZINC000905076478 622037477 /nfs/dbraw/zinc/03/74/77/622037477.db2.gz IGSXMKCFDIFIJG-HJWRWDBZSA-N -1 1 270.332 3.485 20 0 CGADMM CCCc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)s1 ZINC000905076690 622037626 /nfs/dbraw/zinc/03/76/26/622037626.db2.gz KNDKRWMUYGHHOV-BQYQJAHWSA-N -1 1 276.361 3.375 20 0 CGADMM CC(C)C[C@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986052 622440985 /nfs/dbraw/zinc/44/09/85/622440985.db2.gz YAIOGVABFKPLAM-QMMMGPOBSA-N -1 1 257.280 3.291 20 0 CGADMM CC[C@@H]1C[C@H](CC(=O)Nc2cc([O-])c(F)cc2F)CCO1 ZINC000909985784 622441849 /nfs/dbraw/zinc/44/18/49/622441849.db2.gz PJHYSXFSWBSJAA-NXEZZACHSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909980686 622443361 /nfs/dbraw/zinc/44/33/61/622443361.db2.gz CWPLEXRGHHVFIC-XPTSAGLGSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CC12CCSCC2 ZINC000910987028 622512860 /nfs/dbraw/zinc/51/28/60/622512860.db2.gz JALHTKCPVIWSIK-VIFPVBQESA-N -1 1 299.342 3.142 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC=CC12CCCCC2 ZINC000912478963 622665956 /nfs/dbraw/zinc/66/59/56/622665956.db2.gz VFEGVTFPEMKBJQ-UHFFFAOYSA-N -1 1 275.323 3.246 20 0 CGADMM CC1(c2nc(-c3ccc([O-])cc3F)no2)CC=CC1 ZINC000924005566 623966329 /nfs/dbraw/zinc/96/63/29/623966329.db2.gz QBCVTGAOGPSGAL-UHFFFAOYSA-N -1 1 260.268 3.189 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(Cl)cc2C)c1=O ZINC000917345747 624260806 /nfs/dbraw/zinc/26/08/06/624260806.db2.gz ILROCSORFPOYAO-NSHDSACASA-N -1 1 250.729 3.397 20 0 CGADMM CC/C=C\CCOC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000918507271 624354634 /nfs/dbraw/zinc/35/46/34/624354634.db2.gz IXPBKFHPCYVSDY-ARJAWSKDSA-N -1 1 260.293 3.183 20 0 CGADMM O=C(NCC1CCCCC1)c1c([O-])cccc1Cl ZINC000920429603 624500631 /nfs/dbraw/zinc/50/06/31/624500631.db2.gz ULEZPEMONGQWJE-UHFFFAOYSA-N -1 1 267.756 3.356 20 0 CGADMM CC(C)C[C@H]1COCCN1Cc1cccc(Cl)c1[O-] ZINC000180202387 624726718 /nfs/dbraw/zinc/72/67/18/624726718.db2.gz GTLDESIWBVUEJK-ZDUSSCGKSA-N -1 1 283.799 3.293 20 0 CGADMM CC[C@H](NCc1ccc(C(=O)[O-])o1)c1ccc(OC)cc1 ZINC000071381096 625084127 /nfs/dbraw/zinc/08/41/27/625084127.db2.gz LIHLSWKJNMMBOJ-AWEZNQCLSA-N -1 1 289.331 3.227 20 0 CGADMM Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])c(C)c1 ZINC000789929764 626367902 /nfs/dbraw/zinc/36/79/02/626367902.db2.gz FIIPTBIWTLVJRY-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM CC(C)[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000755863744 626654831 /nfs/dbraw/zinc/65/48/31/626654831.db2.gz KCKSOQUFZWEIQP-SNVBAGLBSA-N -1 1 267.756 3.164 20 0 CGADMM CC1(C)CCC[C@@H](CC(=O)[N-]OCC(F)(F)F)C1 ZINC000756004764 626668281 /nfs/dbraw/zinc/66/82/81/626668281.db2.gz DYOZMJJQJRNZAR-VIFPVBQESA-N -1 1 267.291 3.203 20 0 CGADMM CCOc1ccc(OC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000767293688 627396747 /nfs/dbraw/zinc/39/67/47/627396747.db2.gz LXWXMTKTXGGKRW-UHFFFAOYSA-N -1 1 276.263 3.149 20 0 CGADMM CC(C)c1nsc([N-]C(=O)c2coc(C(C)(C)C)n2)n1 ZINC000874692897 634593075 /nfs/dbraw/zinc/59/30/75/634593075.db2.gz IKCLYACWUISWFC-UHFFFAOYSA-N -1 1 294.380 3.199 20 0 CGADMM CC(C)[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccccn1 ZINC000776158463 628171845 /nfs/dbraw/zinc/17/18/45/628171845.db2.gz WZGQVKMHHCYZML-OAHLLOKOSA-N -1 1 288.322 3.053 20 0 CGADMM O=S(=O)([N-]c1cccc(O)c1)c1cccc(C(F)F)c1 ZINC000780366391 628484681 /nfs/dbraw/zinc/48/46/81/628484681.db2.gz WBSPEEMOTGOEFU-UHFFFAOYSA-N -1 1 299.298 3.131 20 0 CGADMM CCc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C)c([O-])c1 ZINC000786887962 628968984 /nfs/dbraw/zinc/96/89/84/628968984.db2.gz QTKYUPYEXPPRGY-UHFFFAOYSA-N -1 1 285.347 3.116 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2coc(C3CC3)n2)n1 ZINC000865343527 630063048 /nfs/dbraw/zinc/06/30/48/630063048.db2.gz LZZOZPMKLPGNPF-UHFFFAOYSA-N -1 1 291.376 3.292 20 0 CGADMM Cc1nc(SCOC(=O)C(C)(C)C)[n-]c(=O)c1C1CC1 ZINC000865373140 630081395 /nfs/dbraw/zinc/08/13/95/630081395.db2.gz HMJOBPYPYAJPSB-UHFFFAOYSA-N -1 1 296.392 3.007 20 0 CGADMM C[C@@H]1CCC[C@@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000799059518 630139888 /nfs/dbraw/zinc/13/98/88/630139888.db2.gz WAVQCUZOXKBSGE-NXEZZACHSA-N -1 1 267.756 3.212 20 0 CGADMM Cc1nc(SCCSC(C)C)[n-]c(=O)c1C ZINC000800837491 630303706 /nfs/dbraw/zinc/30/37/06/630303706.db2.gz ZIQYNRGLZJTDML-UHFFFAOYSA-N -1 1 258.412 3.033 20 0 CGADMM CCCc1cc(=O)[n-]c(SCOC2CCCC2)n1 ZINC000808012609 630618283 /nfs/dbraw/zinc/61/82/83/630618283.db2.gz SNLPSOZLZKGJFC-UHFFFAOYSA-N -1 1 268.382 3.144 20 0 CGADMM O=C1OCc2ccc(NCc3cccc([O-])c3Cl)cc21 ZINC000816613414 632025137 /nfs/dbraw/zinc/02/51/37/632025137.db2.gz TWQOWHGZSLVULJ-UHFFFAOYSA-N -1 1 289.718 3.328 20 0 CGADMM CC(C)[C@@H]1C[C@H](C(=O)Nc2cc(F)cc(F)c2[O-])CCO1 ZINC000822971657 633044640 /nfs/dbraw/zinc/04/46/40/633044640.db2.gz HHQTYUPCNGIAAU-RNCFNFMXSA-N -1 1 299.317 3.060 20 0 CGADMM C[C@H](C(=O)[N-]OCCCC(F)(F)F)c1cccc(F)c1 ZINC000871212879 633728784 /nfs/dbraw/zinc/72/87/84/633728784.db2.gz HPUJIWNDBFYKEP-VIFPVBQESA-N -1 1 293.260 3.320 20 0 CGADMM CCCCCNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000871626257 633805818 /nfs/dbraw/zinc/80/58/18/633805818.db2.gz CKWGQZYGNKOXHZ-UHFFFAOYSA-N -1 1 270.760 3.035 20 0 CGADMM CCc1[n-]n(-c2cc(Cl)cc(Cl)c2)c(=O)c1F ZINC000871947692 633922655 /nfs/dbraw/zinc/92/26/55/633922655.db2.gz BPEAWNPHSHDRFE-SNVBAGLBSA-N -1 1 275.110 3.444 20 0 CGADMM CCc1c(=O)n(-c2ncccc2C)[n-]c1-c1cccc(C)c1 ZINC000871955301 633925724 /nfs/dbraw/zinc/92/57/24/633925724.db2.gz MTRFHGBVPBBVGK-OAHLLOKOSA-N -1 1 293.370 3.476 20 0 CGADMM CCc1[n-]n(-c2cccnc2Cl)c(=O)c1C(C)C ZINC000871952940 633925944 /nfs/dbraw/zinc/92/59/44/633925944.db2.gz VWIOTRIAPXJYKJ-NSHDSACASA-N -1 1 265.744 3.120 20 0 CGADMM COCC1(N(C)Cc2cccc(C(=O)[O-])c2Cl)CCC1 ZINC000872172134 634076398 /nfs/dbraw/zinc/07/63/98/634076398.db2.gz YNRVUUZPOQBKSD-UHFFFAOYSA-N -1 1 297.782 3.039 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC(F)(C2CC2)CC1 ZINC000834574078 634186806 /nfs/dbraw/zinc/18/68/06/634186806.db2.gz WTVRDAKWOSKWIR-UHFFFAOYSA-N -1 1 297.757 3.400 20 0 CGADMM CCC(CC)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872800665 634211301 /nfs/dbraw/zinc/21/13/01/634211301.db2.gz DLEVGSWBEYDQLF-UHFFFAOYSA-N -1 1 270.760 3.033 20 0 CGADMM CC1(C)CC[C@@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834822031 634248484 /nfs/dbraw/zinc/24/84/84/634248484.db2.gz JIDSFPCSWPWSEF-SNVBAGLBSA-N -1 1 267.756 3.098 20 0 CGADMM CCC1(c2noc(-c3ccc(N)cc3[O-])n2)CCCC1 ZINC000843223882 635613810 /nfs/dbraw/zinc/61/38/10/635613810.db2.gz CHVBALMWIUUCOL-UHFFFAOYSA-N -1 1 273.336 3.246 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1c[nH]cc1C1CC1 ZINC000881460254 636112055 /nfs/dbraw/zinc/11/20/55/636112055.db2.gz RTBFHLRVBXGQEM-UHFFFAOYSA-N -1 1 290.750 3.181 20 0 CGADMM C[C@@H](C(=O)[N-]OCCC1CC1)c1ccc(Cl)cc1 ZINC000846219583 636162622 /nfs/dbraw/zinc/16/26/22/636162622.db2.gz SUKIXBTZEDCUMZ-SNVBAGLBSA-N -1 1 267.756 3.291 20 0 CGADMM CC[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@H](CC)CO1 ZINC000846374729 636180206 /nfs/dbraw/zinc/18/02/06/636180206.db2.gz KGXBELWKCTVHJW-GHMZBOCLSA-N -1 1 297.782 3.075 20 0 CGADMM CCc1nc(SC[C@@H]2CCCC(C)(C)O2)[n-]c(=O)c1C ZINC000882178074 636279852 /nfs/dbraw/zinc/27/98/52/636279852.db2.gz ZFVXAPHRZJBBEZ-NSHDSACASA-N -1 1 296.436 3.493 20 0 CGADMM C[C@H]1c2sccc2CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000882184801 636285998 /nfs/dbraw/zinc/28/59/98/636285998.db2.gz QBVQAUCGORMKKA-VIFPVBQESA-N -1 1 291.347 3.352 20 0 CGADMM Cc1nc(-c2ccc(NC[C@H]3C=CCC3)nc2)[n-]c(=O)c1C ZINC000882758188 636411375 /nfs/dbraw/zinc/41/13/75/636411375.db2.gz XSPVGJBWQKXPFZ-ZDUSSCGKSA-N -1 1 296.374 3.239 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1C[C@@H]1C1CC1 ZINC000885678471 637283432 /nfs/dbraw/zinc/28/34/32/637283432.db2.gz QGIFKZVPTQZTLC-SFYZADRCSA-N -1 1 269.703 3.169 20 0 CGADMM O=C(C[C@H]1CCCCO1)Nc1cc(F)c([O-])cc1Cl ZINC000885676140 637283873 /nfs/dbraw/zinc/28/38/73/637283873.db2.gz JWORYKGFZLFXLV-MRVPVSSYSA-N -1 1 287.718 3.082 20 0 CGADMM CC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CC=CC1 ZINC000885682511 637285010 /nfs/dbraw/zinc/28/50/10/637285010.db2.gz QRJRHHDPBFZAHP-UHFFFAOYSA-N -1 1 269.703 3.480 20 0 CGADMM O=C(Cc1c(F)cccc1Cl)[N-]OCc1ccccc1 ZINC000008096677 637530680 /nfs/dbraw/zinc/53/06/80/637530680.db2.gz KZHRHHALTLMZKB-UHFFFAOYSA-N -1 1 293.725 3.270 20 0 CGADMM CC1(C)C[C@H](n2[n-]c3c(c2=O)CCCCC3)C(C)(C)O1 ZINC000887296379 637791583 /nfs/dbraw/zinc/79/15/83/637791583.db2.gz AOCWWCQTTFTBCV-AAEUAGOBSA-N -1 1 278.396 3.111 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H]1C1CCCC1 ZINC000889396407 638017980 /nfs/dbraw/zinc/01/79/80/638017980.db2.gz GGPOHDLGFBBXFY-CYBMUJFWSA-N -1 1 279.767 3.450 20 0 CGADMM C[C@@H]1C[C@@H](C(=O)Nc2cc(F)c([O-])cc2Cl)CCC1=O ZINC000885675833 638035962 /nfs/dbraw/zinc/03/59/62/638035962.db2.gz CCFCKMRVZXTJJK-SFYZADRCSA-N -1 1 299.729 3.129 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C1CC2(CC2(F)F)C1 ZINC000854886427 638116349 /nfs/dbraw/zinc/11/63/49/638116349.db2.gz PFIVRHQBXKQSBK-UHFFFAOYSA-N -1 1 289.228 3.044 20 0 CGADMM C[C@H]1CSCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000889913481 638132395 /nfs/dbraw/zinc/13/23/95/638132395.db2.gz QKHBBSKQAFQERN-VIFPVBQESA-N -1 1 285.796 3.013 20 0 CGADMM C[C@H]1CCCC[C@@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858365044 638694510 /nfs/dbraw/zinc/69/45/10/638694510.db2.gz YAYLVSNBRWGVDV-DTWKUNHWSA-N -1 1 255.749 3.074 20 0 CGADMM CCC[C@@H]1[C@@H](C)CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858438306 638718774 /nfs/dbraw/zinc/71/87/74/638718774.db2.gz OFRSUMVOORFGNO-VHSXEESVSA-N -1 1 269.776 3.241 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000927495036 638862823 /nfs/dbraw/zinc/86/28/23/638862823.db2.gz NLSQIYZLNSIXSV-AVGNSLFASA-N -1 1 293.794 3.141 20 0 CGADMM O=C(NCCC1(c2ccccc2)CC1)c1ccc([O-])cc1F ZINC000927545987 638863853 /nfs/dbraw/zinc/86/38/53/638863853.db2.gz LYGDNQHTXMEIMM-UHFFFAOYSA-N -1 1 299.345 3.383 20 0 CGADMM Cc1noc(C(C)C)c1[N-]C(=O)c1ocnc1C1CC1 ZINC000928784840 638891597 /nfs/dbraw/zinc/89/15/97/638891597.db2.gz PPPNNDZVRKLHCT-UHFFFAOYSA-N -1 1 275.308 3.224 20 0 CGADMM Cc1noc(C(C)C)c1[N-]C(=O)c1csc(Cl)n1 ZINC000928788125 638892281 /nfs/dbraw/zinc/89/22/81/638892281.db2.gz UQGPHSIWISHMIE-UHFFFAOYSA-N -1 1 285.756 3.469 20 0 CGADMM O=c1nc(NC2CCC(C(F)F)CC2)cc(Cl)[n-]1 ZINC000858568697 638995262 /nfs/dbraw/zinc/99/52/62/638995262.db2.gz PMAWNJKZVVLGGT-UHFFFAOYSA-N -1 1 277.702 3.071 20 0 CGADMM CSCc1cccc(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000859798040 639218085 /nfs/dbraw/zinc/21/80/85/639218085.db2.gz YNFFQGPYCWVRJE-UHFFFAOYSA-N -1 1 291.372 3.131 20 0 CGADMM Cc1ccccc1[C@H](C)C(=O)[N-]OCCC(F)(F)F ZINC000935501683 639824145 /nfs/dbraw/zinc/82/41/45/639824145.db2.gz MYLQOSULEAFLMW-JTQLQIEISA-N -1 1 275.270 3.099 20 0 CGADMM COc1cccc2c1nc(-c1cccc(F)c1[O-])n2C ZINC001250683371 805754473 /nfs/dbraw/zinc/75/44/73/805754473.db2.gz CQKNRVZFTKMSOD-UHFFFAOYSA-N -1 1 272.279 3.094 20 0 CGADMM COc1cc2[nH]c(-c3cccc(F)c3[O-])nc2cc1F ZINC001250683681 805754984 /nfs/dbraw/zinc/75/49/84/805754984.db2.gz MQXZAXNRNCBCIY-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM Cc1cc2nc(-c3ccccc3C(=O)[O-])[nH]c2cc1F ZINC001250880418 805793297 /nfs/dbraw/zinc/79/32/97/805793297.db2.gz XTQJLPOYFMNEHI-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM [O-]c1cc(F)c(F)cc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC001250966594 805810449 /nfs/dbraw/zinc/81/04/49/805810449.db2.gz CWSUHRWBDBACML-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM COc1cc2[nH]c(-c3ccc(C(=O)[O-])s3)nc2cc1C ZINC001251015317 805830236 /nfs/dbraw/zinc/83/02/36/805830236.db2.gz QSTZMMXXRLMGGT-UHFFFAOYSA-N -1 1 288.328 3.307 20 0 CGADMM COc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1C(=O)[O-] ZINC001251038743 805833928 /nfs/dbraw/zinc/83/39/28/805833928.db2.gz HMCFJWOLXIZYBU-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM C=Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001251149173 805854081 /nfs/dbraw/zinc/85/40/81/805854081.db2.gz PDORPCTZNYEJPQ-UHFFFAOYSA-N -1 1 259.330 3.130 20 0 CGADMM CN(C)c1ccc2[nH]c(-c3cc(Cl)ncc3[O-])nc2c1 ZINC001251252546 805872786 /nfs/dbraw/zinc/87/27/86/805872786.db2.gz ZMTWDMDANVBSMK-UHFFFAOYSA-N -1 1 288.738 3.050 20 0 CGADMM CN(C)c1ccc2nc(-c3cc(Cl)ncc3[O-])[nH]c2c1 ZINC001251252546 805872805 /nfs/dbraw/zinc/87/28/05/805872805.db2.gz ZMTWDMDANVBSMK-UHFFFAOYSA-N -1 1 288.738 3.050 20 0 CGADMM COc1ccc2nc(-c3c(F)ccc([O-])c3F)n(C)c2c1 ZINC001251335845 805885143 /nfs/dbraw/zinc/88/51/43/805885143.db2.gz SKWIEQVKOBQUGW-UHFFFAOYSA-N -1 1 290.269 3.233 20 0 CGADMM COc1ccoc1-c1nc2c([n-]1)c(F)c(F)c(F)c2F ZINC001251674208 805919335 /nfs/dbraw/zinc/91/93/35/805919335.db2.gz NUYRSJOOVUCZBN-UHFFFAOYSA-N -1 1 286.184 3.388 20 0 CGADMM O=C(N[C@@H]1C[C@H]2CCC[C@H]21)c1ccc(C(F)(F)F)cc1[O-] ZINC001158945768 806024638 /nfs/dbraw/zinc/02/46/38/806024638.db2.gz JFHIRWIBKYPTIA-HLUHBDAQSA-N -1 1 299.292 3.329 20 0 CGADMM CC(C)S(=O)(=O)[N-]c1cccc2c(Cl)ccnc12 ZINC001252529145 806056762 /nfs/dbraw/zinc/05/67/62/806056762.db2.gz FHIPJAWBVKFLHS-UHFFFAOYSA-N -1 1 284.768 3.038 20 0 CGADMM CC(C)(C)c1coc(NC(=O)c2cccc([O-])c2F)n1 ZINC001159190288 806057902 /nfs/dbraw/zinc/05/79/02/806057902.db2.gz PNUPNSHRPBFPGI-UHFFFAOYSA-N -1 1 278.283 3.069 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1c(Cl)cccc1CO ZINC001159314330 806079393 /nfs/dbraw/zinc/07/93/93/806079393.db2.gz WTJHXICJLUGLND-UHFFFAOYSA-N -1 1 285.130 3.330 20 0 CGADMM CCOc1ccc(C(=O)[O-])cc1Nc1cccc2[nH]ncc21 ZINC001159575286 806124273 /nfs/dbraw/zinc/12/42/73/806124273.db2.gz VIBYIDCXKVOFOU-UHFFFAOYSA-N -1 1 297.314 3.403 20 0 CGADMM CCc1ccc(-c2nnc(-c3nccc(OC)c3[O-])o2)cc1 ZINC001253008533 806154150 /nfs/dbraw/zinc/15/41/50/806154150.db2.gz UGVUBBAIRJFYSA-UHFFFAOYSA-N -1 1 297.314 3.075 20 0 CGADMM [O-]c1ccc(F)cc1-c1nnc(-c2ccccc2)o1 ZINC001253125999 806177175 /nfs/dbraw/zinc/17/71/75/806177175.db2.gz CAVGKGNTLLGSQW-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM [O-]c1ccc(-c2nnc(-c3ccccc3)o2)c(F)c1 ZINC001253126702 806178325 /nfs/dbraw/zinc/17/83/25/806178325.db2.gz PHFCTJULXGOYSG-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM O=C(Nc1ccc(C2CCC2)cn1)c1ccc(F)c([O-])c1 ZINC001160177440 806232891 /nfs/dbraw/zinc/23/28/91/806232891.db2.gz NONHZBFAMXJUEE-UHFFFAOYSA-N -1 1 286.306 3.446 20 0 CGADMM CCCCS(=O)(=O)[N-]c1cccc2cc(Cl)cnc21 ZINC001253855173 806315439 /nfs/dbraw/zinc/31/54/39/806315439.db2.gz JQQOQCJPMSXOLZ-UHFFFAOYSA-N -1 1 298.795 3.430 20 0 CGADMM O=C(/C=C\c1ccc(O)cc1)Nc1cc([O-])c(F)cc1F ZINC001160916215 806321442 /nfs/dbraw/zinc/32/14/42/806321442.db2.gz GSMSYVJKULHOQP-UTCJRWHESA-N -1 1 291.253 3.028 20 0 CGADMM CCCc1nnc(-c2ccc(Br)c([O-])c2)o1 ZINC001254019341 806330920 /nfs/dbraw/zinc/33/09/20/806330920.db2.gz POUVRNVZUAWLSK-UHFFFAOYSA-N -1 1 283.125 3.157 20 0 CGADMM [O-]c1cc(O)ccc1-c1nnc([C@@H]2C[C@@H]2c2ccccc2)o1 ZINC001254513099 806432799 /nfs/dbraw/zinc/43/27/99/806432799.db2.gz NAUVNRDNXXOCPU-ZIAGYGMSSA-N -1 1 294.310 3.419 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)[C@@H]1CCC[C@@H](C)C1 ZINC001161934521 806486029 /nfs/dbraw/zinc/48/60/29/806486029.db2.gz XPMIKPZGHMPDAA-GRYCIOLGSA-N -1 1 279.355 3.476 20 0 CGADMM Cc1ccccc1NC(=O)Nc1cccc(F)c1[O-] ZINC000168873250 799086655 /nfs/dbraw/zinc/08/66/55/799086655.db2.gz NNSYXOFXUWEDAI-UHFFFAOYSA-N -1 1 260.268 3.484 20 0 CGADMM O=C(CSC(F)(F)F)Nc1ccc([O-])c(Cl)c1 ZINC000182878627 799114382 /nfs/dbraw/zinc/11/43/82/799114382.db2.gz JYMVMBQSRKLNAJ-UHFFFAOYSA-N -1 1 285.674 3.237 20 0 CGADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1nc(C(C)(C)C)cs1 ZINC000235363296 799144433 /nfs/dbraw/zinc/14/44/33/799144433.db2.gz VPLIVJBOPUJFJM-GHMZBOCLSA-N -1 1 296.436 3.126 20 0 CGADMM [O-]c1cccc(CNc2ccc3c(c2)OCCO3)c1Cl ZINC000328498794 799252574 /nfs/dbraw/zinc/25/25/74/799252574.db2.gz WDDCMKBZXLKTOC-UHFFFAOYSA-N -1 1 291.734 3.429 20 0 CGADMM [O-]c1cccc(CN2CCC(F)(F)CC2)c1Cl ZINC000404807947 799579337 /nfs/dbraw/zinc/57/93/37/799579337.db2.gz VCKYJJXGIBIMEE-UHFFFAOYSA-N -1 1 261.699 3.277 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1cnc2ccccc2c1 ZINC000405282368 799582209 /nfs/dbraw/zinc/58/22/09/799582209.db2.gz CICAICDZLNLCMX-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM COc1cc(Cl)c(C)cc1NC(=O)c1ccc([O-])cn1 ZINC000586734213 799683003 /nfs/dbraw/zinc/68/30/03/799683003.db2.gz YYSDIIKKGKFIIK-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM Cc1nsc([N-]c2cnn([C@H](C)c3ccccc3)c2)n1 ZINC001163566288 806784761 /nfs/dbraw/zinc/78/47/61/806784761.db2.gz VLSHYKGTLNYIBW-SNVBAGLBSA-N -1 1 285.376 3.396 20 0 CGADMM C[C@@H]1c2sccc2CCN1C(=O)c1cc(F)ccc1[O-] ZINC000712284798 800082446 /nfs/dbraw/zinc/08/24/46/800082446.db2.gz NZLUFXULGFMZIQ-SECBINFHSA-N -1 1 291.347 3.352 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N(Cc1ccoc1)C1CC1 ZINC000723735851 800338135 /nfs/dbraw/zinc/33/81/35/800338135.db2.gz MIANTWPZYVBEHV-UHFFFAOYSA-N -1 1 291.734 3.443 20 0 CGADMM CC(C)(/C=C/Cl)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000928943845 800645596 /nfs/dbraw/zinc/64/55/96/800645596.db2.gz UVFRJVPJJNATLK-AATRIKPKSA-N -1 1 288.174 3.235 20 0 CGADMM C[C@H](OC1CCCCC1)C(=O)Nc1ccc(F)cc1[O-] ZINC001116300557 802328351 /nfs/dbraw/zinc/32/83/51/802328351.db2.gz BMOXBIXGRVBUTI-JTQLQIEISA-N -1 1 281.327 3.208 20 0 CGADMM C/C(=C\C(=O)Nc1ccc(Br)c([O-])c1)C1CC1 ZINC001116742845 802402790 /nfs/dbraw/zinc/40/27/90/802402790.db2.gz KXGRPFIJBJQGGM-SOFGYWHQSA-N -1 1 296.164 3.450 20 0 CGADMM O=C(NCCCC(F)F)c1ccc2ccccc2c1[O-] ZINC001119706540 802694738 /nfs/dbraw/zinc/69/47/38/802694738.db2.gz YWWNLBTVNMZNCC-UHFFFAOYSA-N -1 1 279.286 3.321 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C)nc(Cl)c2)c1 ZINC001256872366 806997552 /nfs/dbraw/zinc/99/75/52/806997552.db2.gz CSVJJMBSHUUJEH-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM CC(C)c1ccccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001121153307 802808951 /nfs/dbraw/zinc/80/89/51/802808951.db2.gz XNGAJNKJLRUKLL-UHFFFAOYSA-N -1 1 298.268 3.199 20 0 CGADMM CC(C)(C(=O)NCc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC001123882083 802977894 /nfs/dbraw/zinc/97/78/94/802977894.db2.gz KUZHKNVTLNSCEW-UHFFFAOYSA-N -1 1 295.688 3.250 20 0 CGADMM COCc1ccc(-c2cc(F)c([O-])c(F)c2)cc1 ZINC001244097258 803185461 /nfs/dbraw/zinc/18/54/61/803185461.db2.gz NVWOOTWPVPKMOA-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM Cc1ccc([O-])c(-c2nccc(-c3cccnc3)n2)c1 ZINC001244403203 803351880 /nfs/dbraw/zinc/35/18/80/803351880.db2.gz UXQIRUKCMOTPCS-UHFFFAOYSA-N -1 1 263.300 3.220 20 0 CGADMM Cc1ncnc(-c2ccc(OC(F)(F)F)cc2[O-])c1F ZINC001244463938 803380595 /nfs/dbraw/zinc/38/05/95/803380595.db2.gz JBJCHVCTVPAJGG-UHFFFAOYSA-N -1 1 288.200 3.195 20 0 CGADMM O=c1cnc(-c2ccc(Cl)cc2[O-])cn1-c1ccccc1 ZINC001244471935 803387669 /nfs/dbraw/zinc/38/76/69/803387669.db2.gz HHPXFQCJVOANDP-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM Cc1cc(-c2ccc3nc[nH]c3n2)cc(Cl)c1[O-] ZINC001244530355 803421702 /nfs/dbraw/zinc/42/17/02/803421702.db2.gz LQXAAOYBPAXHDT-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM COC(=O)c1cc(-c2cc(C)c([O-])c(Cl)c2)ncc1F ZINC001244532645 803422938 /nfs/dbraw/zinc/42/29/38/803422938.db2.gz ZCHVQDFOQWXABQ-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COc1ccc(-c2c(Cl)ccc([O-])c2F)nc1 ZINC001244537461 803425530 /nfs/dbraw/zinc/42/55/30/803425530.db2.gz DVSUJNOTECFPJI-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM CC(=O)Nc1ccc(-c2c(Cl)ccc([O-])c2F)nc1 ZINC001244538174 803425831 /nfs/dbraw/zinc/42/58/31/803425831.db2.gz KIMVLGMGYVEGOF-UHFFFAOYSA-N -1 1 280.686 3.205 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncnc3ccoc32)c1F ZINC001244538935 803426796 /nfs/dbraw/zinc/42/67/96/803426796.db2.gz REOZSPZXYDGLFI-UHFFFAOYSA-N -1 1 264.643 3.388 20 0 CGADMM CCc1ccc(-c2c(Cl)ccc([O-])c2F)nn1 ZINC001244539073 803426895 /nfs/dbraw/zinc/42/68/95/803426895.db2.gz QFEBLRCLXAXEMN-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM O=C1COc2ccc(-c3c(Cl)ccc([O-])c3F)cc2N1 ZINC001244539709 803428518 /nfs/dbraw/zinc/42/85/18/803428518.db2.gz DNQBZPZHKDLLOS-UHFFFAOYSA-N -1 1 293.681 3.183 20 0 CGADMM COCOc1ccc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244542702 803429419 /nfs/dbraw/zinc/42/94/19/803429419.db2.gz OXJFZRMZNAEFPW-UHFFFAOYSA-N -1 1 283.686 3.229 20 0 CGADMM CC(C)Cn1cc(-c2c(Cl)ccc([O-])c2F)cnc1=O ZINC001244541525 803429632 /nfs/dbraw/zinc/42/96/32/803429632.db2.gz DXLNPNKCNCGEQF-UHFFFAOYSA-N -1 1 296.729 3.064 20 0 CGADMM NC(=O)c1ccc(F)cc1-c1c(F)c([O-])ccc1Cl ZINC001244541407 803429669 /nfs/dbraw/zinc/42/96/69/803429669.db2.gz BBHXZDRPNWWVMJ-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM CCc1ncncc1-c1c(Cl)ccc([O-])c1F ZINC001244541281 803429983 /nfs/dbraw/zinc/42/99/83/803429983.db2.gz ANYUAMVDBKLNFW-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM Cc1cc(-c2cc(F)cn3ncnc23)cc(Cl)c1[O-] ZINC001244556748 803437100 /nfs/dbraw/zinc/43/71/00/803437100.db2.gz WSSHYACMWZKTLH-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM CNc1cc(F)cc(-c2ccc3[n-]c(C(=O)OC)nc3c2)c1 ZINC001244826729 803538274 /nfs/dbraw/zinc/53/82/74/803538274.db2.gz VFOMLKYYRVVSQW-UHFFFAOYSA-N -1 1 299.305 3.197 20 0 CGADMM CNc1cc(F)cc(-c2ccc3nc(C(=O)OC)[n-]c3c2)c1 ZINC001244826729 803538277 /nfs/dbraw/zinc/53/82/77/803538277.db2.gz VFOMLKYYRVVSQW-UHFFFAOYSA-N -1 1 299.305 3.197 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1ccnc(N2CCCC2)n1 ZINC001245049561 803621884 /nfs/dbraw/zinc/62/18/84/803621884.db2.gz YIMPFEQIZIXMHX-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM CC(C)COC1CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC001137048280 803676330 /nfs/dbraw/zinc/67/63/30/803676330.db2.gz LBIOLLTYGJKXBC-UHFFFAOYSA-N -1 1 299.370 3.042 20 0 CGADMM O=C([O-])Cn1cc(CN2CCCCC23CC3)c2ccccc21 ZINC001138196293 803873936 /nfs/dbraw/zinc/87/39/36/803873936.db2.gz ZUOGWACSSFQMHK-UHFFFAOYSA-N -1 1 298.386 3.244 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3cc[nH]c32)c1Cl ZINC001245827156 803982419 /nfs/dbraw/zinc/98/24/19/803982419.db2.gz LTUOCICZQIPTDU-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3ncccc32)c1Cl ZINC001245827223 803982758 /nfs/dbraw/zinc/98/27/58/803982758.db2.gz NCXDMBQNXBQNRW-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM O=c1cc(C2CC2)[n-]n1C(=S)c1ccc(Cl)cc1 ZINC001245910795 804039396 /nfs/dbraw/zinc/03/93/96/804039396.db2.gz MWTCIDDZQNAXMA-UHFFFAOYSA-N -1 1 278.764 3.343 20 0 CGADMM CCc1cc(=O)n(-c2ccc(Br)c(F)c2)[n-]1 ZINC001245916755 804043678 /nfs/dbraw/zinc/04/36/78/804043678.db2.gz AIIHYXXRQFNLNS-UHFFFAOYSA-N -1 1 285.116 3.042 20 0 CGADMM Cc1ccc(C(=S)n2[n-]c(CC3CCC3)cc2=O)cc1 ZINC001245935813 804065879 /nfs/dbraw/zinc/06/58/79/804065879.db2.gz CJCLGKAEKNKNDF-UHFFFAOYSA-N -1 1 286.400 3.464 20 0 CGADMM CC[C@H](C)n1[n-]c(-c2ccc(N(C)C)cc2)cc1=O ZINC001245944242 804075820 /nfs/dbraw/zinc/07/58/20/804075820.db2.gz LUQKTQXLCJVXEC-NSHDSACASA-N -1 1 259.353 3.293 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1ccc2cccnc2c1 ZINC001245952597 804089122 /nfs/dbraw/zinc/08/91/22/804089122.db2.gz DITHMWQCUWSUNV-UHFFFAOYSA-N -1 1 265.316 3.079 20 0 CGADMM CC(C)COc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1 ZINC001212285867 815002654 /nfs/dbraw/zinc/00/26/54/815002654.db2.gz SPGFZSLXPPCQHP-UHFFFAOYSA-N -1 1 297.358 3.348 20 0 CGADMM Nc1ncccc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001212406109 815020425 /nfs/dbraw/zinc/02/04/25/815020425.db2.gz UUXWUZMVPNQVPJ-UHFFFAOYSA-N -1 1 270.119 3.420 20 0 CGADMM COc1ccc(CN(C)Cc2ccc([O-])c(F)c2F)cc1 ZINC001140888379 804542661 /nfs/dbraw/zinc/54/26/61/804542661.db2.gz QYXHIKRQGJWGNW-UHFFFAOYSA-N -1 1 293.313 3.311 20 0 CGADMM C[C@H]1CN(Cc2ccc([O-])c(F)c2F)CCC1(F)F ZINC001140889856 804543177 /nfs/dbraw/zinc/54/31/77/804543177.db2.gz NECOASYSQJHUMK-QMMMGPOBSA-N -1 1 277.261 3.148 20 0 CGADMM Cc1ccc(CN(C)Cc2ccc([O-])c(F)c2F)cn1 ZINC001140892492 804543786 /nfs/dbraw/zinc/54/37/86/804543786.db2.gz PNEXZAUFGRMQGC-UHFFFAOYSA-N -1 1 278.302 3.006 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@@H]2c2nccs2)cc1F ZINC001140991069 804564863 /nfs/dbraw/zinc/56/48/63/804564863.db2.gz WGAGFYWMACOOBE-GFCCVEGCSA-N -1 1 296.342 3.464 20 0 CGADMM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001142065694 804692963 /nfs/dbraw/zinc/69/29/63/804692963.db2.gz LNPTZTVVGSFKIQ-WCQYABFASA-N -1 1 279.355 3.476 20 0 CGADMM Cc1cncc(/C=C/C(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001142542961 804736396 /nfs/dbraw/zinc/73/63/96/804736396.db2.gz XNVCMODQTQRACR-NSCUHMNNSA-N -1 1 290.269 3.026 20 0 CGADMM CC(C)C1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCC1 ZINC001142652549 804748538 /nfs/dbraw/zinc/74/85/38/804748538.db2.gz OIPDKFFFJRLDJI-UHFFFAOYSA-N -1 1 299.374 3.343 20 0 CGADMM CC(C)(C)CNC(=S)Nc1cc(F)c([O-])cc1F ZINC001247977103 804862976 /nfs/dbraw/zinc/86/29/76/804862976.db2.gz DGLCMAZOSFUHQV-UHFFFAOYSA-N -1 1 274.336 3.003 20 0 CGADMM CSc1nc(Nc2cc3c(cccc3C)[nH]2)cc(=O)[n-]1 ZINC001248428797 804931190 /nfs/dbraw/zinc/93/11/90/804931190.db2.gz BXBJMTGZZQKLDB-UHFFFAOYSA-N -1 1 286.360 3.437 20 0 CGADMM [O-]c1cc(F)c(CN2CCCC(F)(F)[C@H](F)C2)c(F)c1 ZINC001144544796 805001665 /nfs/dbraw/zinc/00/16/65/805001665.db2.gz HQZMTCSNWCDKSL-GFCCVEGCSA-N -1 1 295.251 3.240 20 0 CGADMM COc1ncc(Nc2cc([O-])c(F)c(F)c2F)cc1C ZINC001249958133 805324909 /nfs/dbraw/zinc/32/49/09/805324909.db2.gz JZOXMTKRKXTBLU-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM [O-]c1cc(Nc2cccc3c2CCO3)c(F)c(F)c1F ZINC001249965028 805333098 /nfs/dbraw/zinc/33/30/98/805333098.db2.gz RJWGIGHGLQTZCV-UHFFFAOYSA-N -1 1 281.233 3.488 20 0 CGADMM CC(C)(C)c1nsc([N-]c2c(O)cccc2F)n1 ZINC001249989692 805347994 /nfs/dbraw/zinc/34/79/94/805347994.db2.gz ZHWCRROMWBOXLH-UHFFFAOYSA-N -1 1 267.329 3.424 20 0 CGADMM COC(=O)c1ccc(Nc2cc(Cl)c([O-])cc2F)cn1 ZINC001250020827 805371834 /nfs/dbraw/zinc/37/18/34/805371834.db2.gz SIGICJRRKLADPS-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc(F)n2)cc1Cl ZINC001250021034 805372028 /nfs/dbraw/zinc/37/20/28/805372028.db2.gz XDJPOMIIJWKKSE-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM COC(=O)c1occc1Nc1cc(Cl)c([O-])cc1F ZINC001250020440 805372142 /nfs/dbraw/zinc/37/21/42/805372142.db2.gz KWQZWCWXBORGSN-UHFFFAOYSA-N -1 1 285.658 3.308 20 0 CGADMM CCC[C@H](C)CCNC(=O)c1cc(F)ccc1[O-] ZINC001153630940 805408723 /nfs/dbraw/zinc/40/87/23/805408723.db2.gz NGTFOZYNUJCHLB-JTQLQIEISA-N -1 1 253.317 3.087 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cn1)c1cc2ccccc2s1 ZINC001154390384 805454047 /nfs/dbraw/zinc/45/40/47/805454047.db2.gz FZOBJFZZWBPMOG-SNVBAGLBSA-N -1 1 298.367 3.493 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N(C)C(C)(C)C)cc2c1 ZINC001154750142 805483447 /nfs/dbraw/zinc/48/34/47/805483447.db2.gz VUEFOOCUDQBGSJ-UHFFFAOYSA-N -1 1 287.359 3.425 20 0 CGADMM Cc1cnc(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250228026 805504729 /nfs/dbraw/zinc/50/47/29/805504729.db2.gz HTKFRBHCQUMTON-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM COc1cc(F)ncc1Nc1c(F)ccc([O-])c1Cl ZINC001250233932 805508116 /nfs/dbraw/zinc/50/81/16/805508116.db2.gz GFFXIZFMCGEABY-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM O=C(Cc1cc(F)cc(F)c1[O-])c1ccc(F)cc1F ZINC001250251683 805522643 /nfs/dbraw/zinc/52/26/43/805522643.db2.gz YSRCMODYMRKQFK-UHFFFAOYSA-N -1 1 284.208 3.374 20 0 CGADMM COc1cccc(NC(=O)c2ccc(F)c([O-])c2)c1C ZINC001166741880 807089841 /nfs/dbraw/zinc/08/98/41/807089841.db2.gz OEOUXCGZFKWECJ-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM Cc1nc(NC(=O)c2ccc3ccccc3c2[O-])oc1C ZINC001167297107 807177276 /nfs/dbraw/zinc/17/72/76/807177276.db2.gz JXNZTYVOKWAEKA-UHFFFAOYSA-N -1 1 282.299 3.403 20 0 CGADMM Cc1ccccc1Cc1nnc(-c2ccc(O)cc2[O-])o1 ZINC001258380938 807432969 /nfs/dbraw/zinc/43/29/69/807432969.db2.gz AGPWBXHGPVCUAD-UHFFFAOYSA-N -1 1 282.299 3.047 20 0 CGADMM [O-]c1cccc(-c2nnc(Cc3cccc(F)c3)o2)c1F ZINC001258572086 807493734 /nfs/dbraw/zinc/49/37/34/807493734.db2.gz ZUNQPXSYWIXWCK-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM Cc1cc(CO)cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001212759077 815129152 /nfs/dbraw/zinc/12/91/52/815129152.db2.gz AXBXHSZRRHWLJD-UHFFFAOYSA-N -1 1 295.342 3.122 20 0 CGADMM CC(C)CS(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC001259877956 807690813 /nfs/dbraw/zinc/69/08/13/807690813.db2.gz DFFFSTOUJZDRPT-UHFFFAOYSA-N -1 1 290.388 3.146 20 0 CGADMM CC[C@@H](C)S(=O)(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001260740761 807703491 /nfs/dbraw/zinc/70/34/91/807703491.db2.gz VLXSFHCMAVLJOU-ZCFIWIBFSA-N -1 1 298.191 3.239 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2)c1C ZINC001260991361 807708937 /nfs/dbraw/zinc/70/89/37/807708937.db2.gz HSBYJXVKAZTMHK-UHFFFAOYSA-N -1 1 261.346 3.104 20 0 CGADMM Cc1c(F)nccc1Nc1ccnc(Cl)c1[O-] ZINC001212840701 815151728 /nfs/dbraw/zinc/15/17/28/815151728.db2.gz DBOMNWBNMZGJDE-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM Cc1cc(C(=O)Nc2cccc(F)c2[O-])c(F)cc1F ZINC001171632442 808109133 /nfs/dbraw/zinc/10/91/33/808109133.db2.gz ASTKEMJTZYMGCX-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM Cc1cccn2cc(C(=O)Nc3cccc(F)c3[O-])cc12 ZINC001171636661 808109700 /nfs/dbraw/zinc/10/97/00/808109700.db2.gz INPCTEMGZAWGHO-UHFFFAOYSA-N -1 1 284.290 3.345 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccccc1 ZINC001173793061 808672095 /nfs/dbraw/zinc/67/20/95/808672095.db2.gz ZNJOURSPUFFKRN-UHFFFAOYSA-N -1 1 253.257 3.242 20 0 CGADMM CC(C)(C)c1nc([N-]c2cc(F)cc(F)c2)no1 ZINC001173912912 808756337 /nfs/dbraw/zinc/75/63/37/808756337.db2.gz MODCAYKRVBIRBH-UHFFFAOYSA-N -1 1 253.252 3.389 20 0 CGADMM c1coc(-c2n[n-]c(=Nc3ccnc4ccccc34)o2)c1 ZINC001174036768 808834633 /nfs/dbraw/zinc/83/46/33/808834633.db2.gz FINPPDYVKJZULC-UHFFFAOYSA-N -1 1 278.271 3.043 20 0 CGADMM c1coc(-c2nnc([N-]c3ccnc4ccccc34)o2)c1 ZINC001174036768 808834640 /nfs/dbraw/zinc/83/46/40/808834640.db2.gz FINPPDYVKJZULC-UHFFFAOYSA-N -1 1 278.271 3.043 20 0 CGADMM [O-]c1cc(Nc2cncc(F)c2)c(F)cc1Cl ZINC001174291439 808935995 /nfs/dbraw/zinc/93/59/95/808935995.db2.gz YLTWKASQXZQKAS-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cnc2[nH]ccc2c1 ZINC001174396627 808994425 /nfs/dbraw/zinc/99/44/25/808994425.db2.gz QEZQQJUAVSARAO-UHFFFAOYSA-N -1 1 260.684 3.012 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cnn(CC2CC2)c1 ZINC001174471820 809028370 /nfs/dbraw/zinc/02/83/70/809028370.db2.gz DXTCXLUQBWSZAG-UHFFFAOYSA-N -1 1 265.263 3.021 20 0 CGADMM CSc1nc(Nc2cc(C)cc(F)c2)cc(=O)[n-]1 ZINC001174528273 809062873 /nfs/dbraw/zinc/06/28/73/809062873.db2.gz DRGPLYLKEGHORX-UHFFFAOYSA-N -1 1 265.313 3.095 20 0 CGADMM Cc1cncc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001174763389 809158471 /nfs/dbraw/zinc/15/84/71/809158471.db2.gz SEYOTJLLFNLPTM-UHFFFAOYSA-N -1 1 266.304 3.025 20 0 CGADMM C[C@@H]1CCC[C@H](C2CN(C(=O)c3ccc([O-])cc3F)C2)C1 ZINC001174820958 809170706 /nfs/dbraw/zinc/17/07/06/809170706.db2.gz LWAXWHXKUFWQPK-NEPJUHHUSA-N -1 1 291.366 3.430 20 0 CGADMM [O-]c1cc(F)c(Nc2cc(CO)ccc2F)cc1F ZINC001175132788 809283792 /nfs/dbraw/zinc/28/37/92/809283792.db2.gz HAVBCFWASYSQPD-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM C[S@](=O)c1ccccc1Nc1cc(F)c([O-])cc1F ZINC001175312176 809350351 /nfs/dbraw/zinc/35/03/51/809350351.db2.gz ZFDALPPWGMEYAS-IBGZPJMESA-N -1 1 283.299 3.151 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc(N2CCCC2)nc1 ZINC001175347747 809370908 /nfs/dbraw/zinc/37/09/08/809370908.db2.gz UHSQOYWOICFISB-UHFFFAOYSA-N -1 1 290.754 3.179 20 0 CGADMM Cn1ncc2cccc(Nc3ccnc(Cl)c3[O-])c21 ZINC001175441423 809407363 /nfs/dbraw/zinc/40/73/63/809407363.db2.gz NUPAWFJTQPFPFZ-UHFFFAOYSA-N -1 1 274.711 3.071 20 0 CGADMM O=c1ccn(-c2ccc(Nc3cnn(C4CCC4)c3)cc2)[n-]1 ZINC001175762850 809536213 /nfs/dbraw/zinc/53/62/13/809536213.db2.gz MIJCRZJDKKVRSF-UHFFFAOYSA-N -1 1 295.346 3.243 20 0 CGADMM Cc1cncc([N-]c2nnc(Br)s2)c1C ZINC001213522779 815297290 /nfs/dbraw/zinc/29/72/90/815297290.db2.gz GJVODTAXWTZSRD-UHFFFAOYSA-N -1 1 285.170 3.056 20 0 CGADMM Cc1nsc([N-]c2cnn(C3CCCCC3)c2)n1 ZINC001175877930 809563199 /nfs/dbraw/zinc/56/31/99/809563199.db2.gz FMMPTUUVHPPTIQ-UHFFFAOYSA-N -1 1 263.370 3.292 20 0 CGADMM O=C(N[C@H]1CCCC12CC2)c1ncc2ccccc2c1[O-] ZINC001302155411 809590461 /nfs/dbraw/zinc/59/04/61/809590461.db2.gz CAPOTXWGYRSDPT-ZDUSSCGKSA-N -1 1 282.343 3.003 20 0 CGADMM O=c1ccc(Nc2ccc(F)c(Br)c2[O-])c[nH]1 ZINC001176131387 809632633 /nfs/dbraw/zinc/63/26/33/809632633.db2.gz RPKMFYBKXMWWHE-UHFFFAOYSA-N -1 1 299.099 3.138 20 0 CGADMM Nc1cccc2c1CCCN2c1c(F)cc(F)c([O-])c1F ZINC001176670245 809740418 /nfs/dbraw/zinc/74/04/18/809740418.db2.gz BWOQXMBODDUHDY-UHFFFAOYSA-N -1 1 294.276 3.476 20 0 CGADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1CO ZINC001176674761 809740874 /nfs/dbraw/zinc/74/08/74/809740874.db2.gz VHIYNOPKVCTXJQ-UHFFFAOYSA-N -1 1 283.249 3.354 20 0 CGADMM Cc1cccc(CO)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176674820 809741101 /nfs/dbraw/zinc/74/11/01/809741101.db2.gz XCHBUOMGEQFICB-UHFFFAOYSA-N -1 1 283.249 3.354 20 0 CGADMM CC(=O)c1cccc(-c2noc(-c3nc(C)ccc3[O-])n2)c1 ZINC001213698544 815323163 /nfs/dbraw/zinc/32/31/63/815323163.db2.gz ZUSDMFMKKVXPDV-UHFFFAOYSA-N -1 1 295.298 3.015 20 0 CGADMM COc1cccc(C2CC2)c1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001213822635 815337382 /nfs/dbraw/zinc/33/73/82/815337382.db2.gz JCGCOJHAKRHCKB-UHFFFAOYSA-N -1 1 295.342 3.199 20 0 CGADMM Cc1ccc(-c2ccsc2C(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001183550784 810152128 /nfs/dbraw/zinc/15/21/28/810152128.db2.gz RUDYJFWNIZSHLE-UHFFFAOYSA-N -1 1 299.355 3.405 20 0 CGADMM O=c1ccc2c(Nc3ccnc(Cl)c3[O-])cccc2[nH]1 ZINC001213972051 815353919 /nfs/dbraw/zinc/35/39/19/815353919.db2.gz AQOMEXDYYJOWLG-UHFFFAOYSA-N -1 1 287.706 3.438 20 0 CGADMM O=C(Nc1cccnc1)Nc1ccc(Cl)cc1[O-] ZINC001185686502 810284606 /nfs/dbraw/zinc/28/46/06/810284606.db2.gz YDBNFWPZUPOPTM-UHFFFAOYSA-N -1 1 263.684 3.085 20 0 CGADMM O=C(Nc1ccccc1-c1nnc[nH]1)c1cccc([S-])c1 ZINC001186152126 810316567 /nfs/dbraw/zinc/31/65/67/810316567.db2.gz BOVIDYQHFMFDNW-UHFFFAOYSA-N -1 1 296.355 3.013 20 0 CGADMM Cc1c(C)c(NC(=O)c2ccc([O-])c(F)c2)ccc1O ZINC001186226014 810321722 /nfs/dbraw/zinc/32/17/22/810321722.db2.gz JTZXLIPMMBXOSJ-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM O=C(Nc1cc(O)cc(Cl)c1)c1ccc([O-])c(F)c1 ZINC001186226464 810322326 /nfs/dbraw/zinc/32/23/26/810322326.db2.gz PTPLUIWTRUVZDS-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM Cc1cc(O)cc(C)c1NC(=O)c1ncc(C(F)(F)F)[n-]1 ZINC001188289625 810473718 /nfs/dbraw/zinc/47/37/18/810473718.db2.gz YYKBHYAULCGESI-UHFFFAOYSA-N -1 1 299.252 3.003 20 0 CGADMM Cc1cc(O)cc(C)c1NC(=O)c1nc(C(F)(F)F)c[n-]1 ZINC001188289625 810473722 /nfs/dbraw/zinc/47/37/22/810473722.db2.gz YYKBHYAULCGESI-UHFFFAOYSA-N -1 1 299.252 3.003 20 0 CGADMM CCC(CC)Oc1ccccc1[N-]S(=O)(=O)CC1CC1 ZINC001188977019 810530330 /nfs/dbraw/zinc/53/03/30/810530330.db2.gz PFRMJDXVDYUMJR-UHFFFAOYSA-N -1 1 297.420 3.406 20 0 CGADMM O=C(Nc1nccs1)Nc1cccc([O-])c1Cl ZINC001189384336 810565651 /nfs/dbraw/zinc/56/56/51/810565651.db2.gz YXDPNTISOQTJIG-UHFFFAOYSA-N -1 1 269.713 3.146 20 0 CGADMM CC(C)c1cccc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC001192525606 810803804 /nfs/dbraw/zinc/80/38/04/810803804.db2.gz XPGQLDQDAYZULE-UHFFFAOYSA-N -1 1 292.285 3.441 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])OC1CCCCC1 ZINC001193627585 810922407 /nfs/dbraw/zinc/92/24/07/810922407.db2.gz VYYIMRXOIDEGCR-UHFFFAOYSA-N -1 1 253.273 3.413 20 0 CGADMM [O-]c1c(F)cc(Nc2nccnc2Cl)cc1Cl ZINC001214480200 815415507 /nfs/dbraw/zinc/41/55/07/815415507.db2.gz OSVFJJAHTNYQQW-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM CC(=O)Nc1cncc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214484927 815416371 /nfs/dbraw/zinc/41/63/71/815416371.db2.gz SPTOFBJCAJNMOF-UHFFFAOYSA-N -1 1 295.701 3.282 20 0 CGADMM COc1cccnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482537 815416466 /nfs/dbraw/zinc/41/64/66/815416466.db2.gz AHCHACXTEYEQSG-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM Cn1ncc(Cl)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214484126 815416730 /nfs/dbraw/zinc/41/67/30/815416730.db2.gz AMGRYILVBKGGOB-UHFFFAOYSA-N -1 1 276.098 3.315 20 0 CGADMM [O-]c1c(F)cc(Nc2cn(CCF)cn2)cc1Cl ZINC001214484841 815416748 /nfs/dbraw/zinc/41/67/48/815416748.db2.gz QHCDHHXRJLHIMX-UHFFFAOYSA-N -1 1 273.670 3.094 20 0 CGADMM NC(=O)c1cc(F)cc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214489712 815417624 /nfs/dbraw/zinc/41/76/24/815417624.db2.gz IDGDUEOUCOBLKN-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM Cc1ccc(OC(=O)Nc2cccc(F)c2[O-])cc1 ZINC001194457787 811079442 /nfs/dbraw/zinc/07/94/42/811079442.db2.gz GJAFVJBRBOQNOS-UHFFFAOYSA-N -1 1 261.252 3.451 20 0 CGADMM CC(C)CCOC(=O)Nc1cc([O-])c(F)cc1F ZINC001194872000 811160538 /nfs/dbraw/zinc/16/05/38/811160538.db2.gz RBPSNYHMSLHRGR-UHFFFAOYSA-N -1 1 259.252 3.265 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cccc(COC(C)C)c1 ZINC001195491395 811262460 /nfs/dbraw/zinc/26/24/60/811262460.db2.gz VCMVPXBUQFTVHE-UHFFFAOYSA-N -1 1 296.392 3.055 20 0 CGADMM O=c1[nH]c2cc(Nc3cc(F)c([O-])cc3F)ccc2o1 ZINC001215576232 815539539 /nfs/dbraw/zinc/53/95/39/815539539.db2.gz PNNVMLWNDUWTEU-UHFFFAOYSA-N -1 1 278.214 3.261 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cccc4c3CCCC4)no2)nn1 ZINC001205298814 812939751 /nfs/dbraw/zinc/93/97/51/812939751.db2.gz FROUSGSVUKDQDS-UHFFFAOYSA-N -1 1 294.314 3.339 20 0 CGADMM COc1ccc(Nc2ccc(F)c(F)c2[O-])c2c[nH]nc21 ZINC001215753904 815575466 /nfs/dbraw/zinc/57/54/66/815575466.db2.gz UHVZURVNPUWFMT-UHFFFAOYSA-N -1 1 291.257 3.299 20 0 CGADMM CCC[C@@H](C)c1cc([N-]c2cnn3cccnc23)on1 ZINC001205946614 813143353 /nfs/dbraw/zinc/14/33/53/813143353.db2.gz ZKETWEKOKPENHG-SNVBAGLBSA-N -1 1 271.324 3.365 20 0 CGADMM c1csc(-c2cc([N-]c3cnn4cccnc34)on2)c1 ZINC001205958502 813146160 /nfs/dbraw/zinc/14/61/60/813146160.db2.gz HUCXAOKUWIJFAQ-UHFFFAOYSA-N -1 1 283.316 3.189 20 0 CGADMM COc1cnc(F)cc1Nc1cc([O-])c(Cl)cc1F ZINC001215806854 815600701 /nfs/dbraw/zinc/60/07/01/815600701.db2.gz ORWDKQUFAGKASB-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CCCCOc1cccc(-n2[n-]c(=O)c3cc(N)ccc32)c1 ZINC001208638970 813781109 /nfs/dbraw/zinc/78/11/09/813781109.db2.gz SIFQSBXCWITBDI-UHFFFAOYSA-N -1 1 297.358 3.492 20 0 CGADMM CO[C@H](C)c1cccc(Nc2cc(=O)[n-]c(SC)n2)c1 ZINC001209947179 814209452 /nfs/dbraw/zinc/20/94/52/814209452.db2.gz LWVCFEVVFSNKDW-SECBINFHSA-N -1 1 291.376 3.355 20 0 CGADMM CC(C)n1ccc(Nc2c([O-])cc(F)cc2F)n1 ZINC001210342968 814412338 /nfs/dbraw/zinc/41/23/38/814412338.db2.gz LOMLVVKIBFNOIR-UHFFFAOYSA-N -1 1 253.252 3.191 20 0 CGADMM CCc1ncccc1Nc1ccc(F)c(F)c1[O-] ZINC001210469070 814474644 /nfs/dbraw/zinc/47/46/44/814474644.db2.gz JAIYBNHSOCIKEU-UHFFFAOYSA-N -1 1 250.248 3.371 20 0 CGADMM [O-]c1cccc(-c2cncc(OC(F)F)n2)c1Cl ZINC001242799350 823135656 /nfs/dbraw/zinc/13/56/56/823135656.db2.gz GTZVXNDYRMGFAJ-UHFFFAOYSA-N -1 1 272.638 3.104 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1c[nH]c2ncccc12 ZINC001210946937 814686019 /nfs/dbraw/zinc/68/60/19/814686019.db2.gz BCLWVKPIAMAZDU-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM COc1cnc(SC)nc1-c1cccc([O-])c1Cl ZINC001242799187 823135764 /nfs/dbraw/zinc/13/57/64/823135764.db2.gz YDXRWVXFURYTRB-UHFFFAOYSA-N -1 1 282.752 3.233 20 0 CGADMM COc1ncc(F)cc1-c1cccc([O-])c1Cl ZINC001242799771 823136254 /nfs/dbraw/zinc/13/62/54/823136254.db2.gz BNRUETPEINSFMF-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM [O-]c1cccc(-c2cc(-c3ncc[nH]3)ccn2)c1Cl ZINC001242801115 823136992 /nfs/dbraw/zinc/13/69/92/823136992.db2.gz OVTVCNKTBIPEIP-UHFFFAOYSA-N -1 1 271.707 3.498 20 0 CGADMM Cc1c(CO)cccc1Nc1cc([O-])c(F)c(F)c1 ZINC001211165625 814839112 /nfs/dbraw/zinc/83/91/12/814839112.db2.gz GDNPZOMIYUWYHR-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM [O-]c1cccc(-c2ccc(Cn3ccnc3)cn2)c1Cl ZINC001242801402 823137194 /nfs/dbraw/zinc/13/71/94/823137194.db2.gz QGGFJTXJILDHTF-UHFFFAOYSA-N -1 1 285.734 3.352 20 0 CGADMM O=C1NCc2cccc(-c3cccc([O-])c3Cl)c2N1 ZINC001242801609 823137350 /nfs/dbraw/zinc/13/73/50/823137350.db2.gz CDKXPCLTBIKUPF-UHFFFAOYSA-N -1 1 274.707 3.348 20 0 CGADMM COc1cnccc1Nc1cc(Cl)ccc1[S-] ZINC001211260794 814864664 /nfs/dbraw/zinc/86/46/64/814864664.db2.gz RWARSTVGSPRTNM-UHFFFAOYSA-N -1 1 266.753 3.198 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(N3CCOCC3)cc2)cc1F ZINC001211338398 814881794 /nfs/dbraw/zinc/88/17/94/814881794.db2.gz DNAGMSYWFPJDHX-UHFFFAOYSA-N -1 1 291.297 3.174 20 0 CGADMM CCOc1cncc(-c2cc(F)c([O-])cc2F)c1 ZINC001211352288 814884821 /nfs/dbraw/zinc/88/48/21/814884821.db2.gz KLTUOSOWCUSZRR-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM COCOc1ccc(OC)cc1-c1cc(F)c([O-])cc1F ZINC001211359569 814885527 /nfs/dbraw/zinc/88/55/27/814885527.db2.gz JEGLGGNOLUDFMJ-UHFFFAOYSA-N -1 1 296.269 3.329 20 0 CGADMM CCOc1ccc([N-]c2nnc(C(C)C)o2)c(OCC)n1 ZINC001211470393 814895275 /nfs/dbraw/zinc/89/52/75/814895275.db2.gz VSMNYJLJYNGUIM-UHFFFAOYSA-N -1 1 292.339 3.129 20 0 CGADMM CCc1cc(Nc2ccnc(Cl)c2[O-])ccc1N ZINC001216037416 815667413 /nfs/dbraw/zinc/66/74/13/815667413.db2.gz JBIJZJUYHUEHAH-UHFFFAOYSA-N -1 1 263.728 3.329 20 0 CGADMM CC(C)c1cc(-n2[n-]c(=O)c3cc(N)ccc32)ccc1N ZINC001216048113 815672775 /nfs/dbraw/zinc/67/27/75/815672775.db2.gz QQBSLBOXCYOMPZ-UHFFFAOYSA-N -1 1 282.347 3.019 20 0 CGADMM CSc1nc(Nc2ccc3onc(C)c3c2)cc(=O)[n-]1 ZINC001216637770 815883283 /nfs/dbraw/zinc/88/32/83/815883283.db2.gz KCKNVCVMJGPSDJ-UHFFFAOYSA-N -1 1 288.332 3.097 20 0 CGADMM Cc1cnccc1-c1noc(-c2cc([O-])cc(F)c2F)n1 ZINC001216924526 815901722 /nfs/dbraw/zinc/90/17/22/815901722.db2.gz OGAOCXSWVXUPRC-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM COc1c(C(=O)[O-])cccc1-c1cc2nc[nH]c2cc1C ZINC001242923039 823173199 /nfs/dbraw/zinc/17/31/99/823173199.db2.gz SRKLVXMVPPWAGV-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM [O-]c1cc(O[C@@H]2CNCC(F)(F)C2)c(Cl)cc1Cl ZINC001218273726 816148328 /nfs/dbraw/zinc/14/83/28/816148328.db2.gz BNMNVUGICSOXOO-LURJTMIESA-N -1 1 298.116 3.075 20 0 CGADMM COC(=O)c1nc2cc(-c3cncc(SC)c3)ccc2[n-]1 ZINC001242950266 823185251 /nfs/dbraw/zinc/18/52/51/823185251.db2.gz FHWKPURDHOQGNO-UHFFFAOYSA-N -1 1 299.355 3.133 20 0 CGADMM COC(=O)c1nc2ccc(-c3cncc(SC)c3)cc2[n-]1 ZINC001242950266 823185253 /nfs/dbraw/zinc/18/52/53/823185253.db2.gz FHWKPURDHOQGNO-UHFFFAOYSA-N -1 1 299.355 3.133 20 0 CGADMM O=C([O-])c1cc(F)c(-c2cc3nc[nH]c3cc2F)c(F)c1 ZINC001222418028 816439921 /nfs/dbraw/zinc/43/99/21/816439921.db2.gz JXPPRNTYGYZWGS-UHFFFAOYSA-N -1 1 292.216 3.345 20 0 CGADMM CCCC[C@H](CC)C[C@H](C)OCC[P@](=O)([O-])O ZINC001224601318 816831670 /nfs/dbraw/zinc/83/16/70/816831670.db2.gz GGZKVWYYBKAHJQ-RYUDHWBXSA-N -1 1 266.318 3.176 20 0 CGADMM COc1c(C)nc(C2CC2)nc1-c1ccc(F)c([O-])c1 ZINC001243051528 823228406 /nfs/dbraw/zinc/22/84/06/823228406.db2.gz VKRFWTGAIPLSEF-UHFFFAOYSA-N -1 1 274.295 3.183 20 0 CGADMM C[C@H](OCCCC[P@](=O)([O-])O)c1cccc(Cl)c1 ZINC001225018733 816933379 /nfs/dbraw/zinc/93/33/79/816933379.db2.gz GTVKMZXJFYFRJO-JTQLQIEISA-N -1 1 292.699 3.376 20 0 CGADMM C/C=C/[C@H](OCCCC[P@](=O)([O-])O)C1CCCCC1 ZINC001225019507 816933961 /nfs/dbraw/zinc/93/39/61/816933961.db2.gz XSGJHDQBKDFWOB-LPSTVZDBSA-N -1 1 290.340 3.486 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H](c1cccnc1)C1CC1 ZINC001225678441 817138529 /nfs/dbraw/zinc/13/85/29/817138529.db2.gz HVADVDCNPBYVLX-KRWDZBQOSA-N -1 1 299.326 3.226 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H](c1ccccc1)C1CC1 ZINC001226243097 817308360 /nfs/dbraw/zinc/30/83/60/817308360.db2.gz SNDGKGCZMCPCND-ZDUSSCGKSA-N -1 1 288.372 3.304 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3CCC[C@@H]3C)c12 ZINC001226490381 817374366 /nfs/dbraw/zinc/37/43/66/817374366.db2.gz QGRYDWDSIZRSJO-JOYOIKCWSA-N -1 1 274.316 3.374 20 0 CGADMM CC(C)(C)C1CCC(Oc2cnc[n-]c2=O)CC1 ZINC001227049208 817543190 /nfs/dbraw/zinc/54/31/90/817543190.db2.gz RSLZHMYFDDMYDY-UHFFFAOYSA-N -1 1 250.342 3.166 20 0 CGADMM CC[C@H](C)[C@@H](C)Oc1cc([O-])ccc1C(=O)COC ZINC001227172553 817579413 /nfs/dbraw/zinc/57/94/13/817579413.db2.gz PEQXRWURNNFJSX-WDEREUQCSA-N -1 1 266.337 3.035 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001227171508 817579967 /nfs/dbraw/zinc/57/99/67/817579967.db2.gz DCUTUQBMCWYBTF-MQIPJXDCSA-N -1 1 292.375 3.425 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001227171505 817580075 /nfs/dbraw/zinc/58/00/75/817580075.db2.gz DCUTUQBMCWYBTF-BFQNTYOBSA-N -1 1 292.375 3.425 20 0 CGADMM Fc1cnc(=S)[n-]c1O[C@H]1CCCc2ccccc21 ZINC001227382107 817635419 /nfs/dbraw/zinc/63/54/19/817635419.db2.gz AHRLZQGBDGMMCS-LBPRGKRZSA-N -1 1 276.336 3.361 20 0 CGADMM C[C@@H](CCc1ccccc1)Oc1[n-]c(=S)ncc1F ZINC001227383576 817636848 /nfs/dbraw/zinc/63/68/48/817636848.db2.gz POLLHAHHWAYMCJ-JTQLQIEISA-N -1 1 278.352 3.305 20 0 CGADMM C[C@@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)c1ccc(F)cc1 ZINC001227709246 817699262 /nfs/dbraw/zinc/69/92/62/817699262.db2.gz CANVVWNLJFWKQY-RKDXNWHRSA-N -1 1 290.294 3.053 20 0 CGADMM Cc1ccc2c(c1)[C@@H](Oc1[n-]c(=O)nc3c1CO[C@H]3C)CC2 ZINC001227710669 817700600 /nfs/dbraw/zinc/70/06/00/817700600.db2.gz OWPDSSGEWQUKJI-HZMBPMFUSA-N -1 1 298.342 3.148 20 0 CGADMM C[C@@H]1CC[C@H](Oc2[n-]c(=S)nc3cnccc32)C1 ZINC001227881694 817742292 /nfs/dbraw/zinc/74/22/92/817742292.db2.gz 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ZVTVQDYJWPBLHP-VIFPVBQESA-N -1 1 279.689 3.225 20 0 CGADMM [O-]c1cc(CN2CC3(C2)C[C@H](F)CS3)ccc1Cl ZINC001231736209 818162928 /nfs/dbraw/zinc/16/29/28/818162928.db2.gz FIGWACCCAUJOEQ-JTQLQIEISA-N -1 1 287.787 3.075 20 0 CGADMM O=C([O-])COc1ccccc1CN1C2CCCC1CCC2 ZINC001231794146 818178645 /nfs/dbraw/zinc/17/86/45/818178645.db2.gz VSCPISYIZHTNLG-UHFFFAOYSA-N -1 1 289.375 3.057 20 0 CGADMM Cc1cc2c(cn1)CN(Cc1cccc([O-])c1Cl)C2 ZINC001232789145 818441949 /nfs/dbraw/zinc/44/19/49/818441949.db2.gz WWAKFAWNLNHPLA-UHFFFAOYSA-N -1 1 274.751 3.265 20 0 CGADMM [O-]c1cc(CN2CCC[C@@H]2c2cccnc2)cc(F)c1F ZINC001232969524 818486150 /nfs/dbraw/zinc/48/61/50/818486150.db2.gz RVPHKJGMEPKXPQ-CQSZACIVSA-N -1 1 290.313 3.403 20 0 CGADMM Cc1ccc2c(c1)CN(Cc1cc(Cl)ncc1[O-])CC2 ZINC001233032735 818505758 /nfs/dbraw/zinc/50/57/58/818505758.db2.gz QXLYVWOLOYXQMC-UHFFFAOYSA-N -1 1 288.778 3.307 20 0 CGADMM Cc1cc2c(cc1-c1ccc([O-])c(F)c1F)CC(=O)N2 ZINC001243340434 823354126 /nfs/dbraw/zinc/35/41/26/823354126.db2.gz 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LQGUHZLUEZYSHH-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM O=C1CC[C@@H](c2ccc(-c3ccc([O-])c(F)c3F)cc2)N1 ZINC001243344949 823360345 /nfs/dbraw/zinc/36/03/45/823360345.db2.gz KAXBMZMFUQFPJZ-LBPRGKRZSA-N -1 1 289.281 3.289 20 0 CGADMM CCC[C@H](Oc1[n-]c(=O)c(F)cc1C(=O)OC)C(C)(C)C ZINC001234607695 818891111 /nfs/dbraw/zinc/89/11/11/818891111.db2.gz GIYGUWWFBAZHGN-NSHDSACASA-N -1 1 299.342 3.307 20 0 CGADMM CCC[C@@H](Oc1[n-]c(=O)c(F)cc1C(=O)OC)C(C)(C)C ZINC001234607693 818891360 /nfs/dbraw/zinc/89/13/60/818891360.db2.gz GIYGUWWFBAZHGN-LLVKDONJSA-N -1 1 299.342 3.307 20 0 CGADMM c1cc2[n-]c(O[C@@H]3CCCc4cccnc43)nc2s1 ZINC001234852108 818934495 /nfs/dbraw/zinc/93/44/95/818934495.db2.gz RQAAJUYZCDYYPY-LLVKDONJSA-N -1 1 271.345 3.476 20 0 CGADMM Cc1nc2c[nH]cc(-c3ccc(C=CC(=O)[O-])cc3)c-2n1 ZINC001235621802 819127563 /nfs/dbraw/zinc/12/75/63/819127563.db2.gz FSNDNZRQIAKZGP-QPJJXVBHSA-N -1 1 279.299 3.031 20 0 CGADMM Cc1nc2c(cncc2-c2ccc(C=CC(=O)[O-])cc2)[nH]1 ZINC001235621802 819127565 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/nfs/dbraw/zinc/45/11/16/823451116.db2.gz HIEOBYLFTDCFQW-UHFFFAOYSA-N -1 1 259.696 3.244 20 0 CGADMM [O-]c1cc(-c2cc(OCC3CC3)ncn2)ccc1Cl ZINC001243575996 823451131 /nfs/dbraw/zinc/45/11/31/823451131.db2.gz DCQGHAJSRVJLBM-UHFFFAOYSA-N -1 1 276.723 3.291 20 0 CGADMM COC(=O)c1cc(F)c(C)nc1-c1ccc(Cl)c([O-])c1 ZINC001243577150 823451957 /nfs/dbraw/zinc/45/19/57/823451957.db2.gz ZURFYZCZXSWTEP-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM [O-]c1cc(-c2cnc3nccnc3c2)ccc1Cl ZINC001243577665 823452009 /nfs/dbraw/zinc/45/20/09/823452009.db2.gz APTNFBCVTOOMGN-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM COC(=O)c1ncc(-c2ccc(Cl)c([O-])c2)cc1F ZINC001243577709 823452250 /nfs/dbraw/zinc/45/22/50/823452250.db2.gz CYSNDCNXZXHSEW-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM CCN(CC)c1cncc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243577126 823452274 /nfs/dbraw/zinc/45/22/74/823452274.db2.gz ZRFSBIPDABQOIP-UHFFFAOYSA-N -1 1 277.755 3.349 20 0 CGADMM COc1ccnc(-c2ccc(Cl)c([O-])c2)c1F ZINC001243578590 823452729 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/nfs/dbraw/zinc/57/68/87/821576887.db2.gz BQQHPMCJBNWNCD-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM Cn1cnc2ccc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241122006 821578124 /nfs/dbraw/zinc/57/81/24/821578124.db2.gz IFHRTHVHSALLAY-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM Cn1cnc2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241121999 821578318 /nfs/dbraw/zinc/57/83/18/821578318.db2.gz ICDWSOMEFUJVGR-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)COCC3)c(F)c1 ZINC001241122445 821578679 /nfs/dbraw/zinc/57/86/79/821578679.db2.gz DGHHMBJCEMWNIO-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM Cn1c(=O)cc(-c2c(F)cc([O-])cc2F)c2ccccc21 ZINC001241124044 821581078 /nfs/dbraw/zinc/58/10/78/821581078.db2.gz AXDFKESLVIKEHU-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM CSc1cnccc1-c1c(F)cc([O-])cc1F ZINC001241124726 821581400 /nfs/dbraw/zinc/58/14/00/821581400.db2.gz LEVDVTYZFWCIQE-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM O=C1OCc2cc(-c3c(F)cc([O-])cc3F)cc(F)c21 ZINC001241124525 821581814 /nfs/dbraw/zinc/58/18/14/821581814.db2.gz HKBLETPCDKJSRB-UHFFFAOYSA-N -1 1 280.201 3.147 20 0 CGADMM Cc1cc(-c2ccc(-c3nnn[n-]3)nc2)ccc1OC(C)C ZINC001241221609 821646402 /nfs/dbraw/zinc/64/64/02/821646402.db2.gz UVZVCEAMGPPSMG-UHFFFAOYSA-N -1 1 295.346 3.024 20 0 CGADMM Cc1cc(-c2ccc(-c3nn[n-]n3)nc2)ccc1OC(C)C ZINC001241221609 821646405 /nfs/dbraw/zinc/64/64/05/821646405.db2.gz UVZVCEAMGPPSMG-UHFFFAOYSA-N -1 1 295.346 3.024 20 0 CGADMM CCOC(=O)c1ccnc(-c2c(F)ccc([O-])c2F)c1C ZINC001241290258 821706626 /nfs/dbraw/zinc/70/66/26/821706626.db2.gz JVWKFWYDCRZXJT-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM CCCc1cc(-c2c(F)ccc([O-])c2F)nc(C)n1 ZINC001241289169 821706867 /nfs/dbraw/zinc/70/68/67/821706867.db2.gz MKRNZKUFSUVDGZ-UHFFFAOYSA-N -1 1 264.275 3.388 20 0 CGADMM COC(OC)c1cc(C)cnc1-c1c(F)ccc([O-])c1F ZINC001241289520 821706971 /nfs/dbraw/zinc/70/69/71/821706971.db2.gz URYCSAPMMVWGED-UHFFFAOYSA-N -1 1 295.285 3.332 20 0 CGADMM CC(C)n1cnc2cnc(-c3c(F)ccc([O-])c3F)nc21 ZINC001241289723 821707057 /nfs/dbraw/zinc/70/70/57/821707057.db2.gz CDGUMYMYYNLTHL-UHFFFAOYSA-N -1 1 290.273 3.058 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc(C(F)(F)F)cn2)c1F ZINC001241290974 821708181 /nfs/dbraw/zinc/70/81/81/821708181.db2.gz SLIGAUBSPSQBNJ-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM [O-]c1ccc(F)c(-c2ncc3ccsc3n2)c1F ZINC001241291725 821709152 /nfs/dbraw/zinc/70/91/52/821709152.db2.gz SZFTVBHITBQMRY-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM Cc1cnc(-c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001242148426 822894844 /nfs/dbraw/zinc/89/48/44/822894844.db2.gz YAWJJLDOBNDSRE-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM COc1cccc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242131844 822889007 /nfs/dbraw/zinc/88/90/07/822889007.db2.gz SQAQMHUBKAYQED-UHFFFAOYSA-N -1 1 269.222 3.482 20 0 CGADMM CCOc1nccnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242134302 822889320 /nfs/dbraw/zinc/88/93/20/822889320.db2.gz XXHSVRSRTKUBTO-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM [O-]c1ccc(-c2ncnc3sncc32)cc1C(F)(F)F ZINC001242153337 822896845 /nfs/dbraw/zinc/89/68/45/822896845.db2.gz UZPACNATMAZHLK-UHFFFAOYSA-N -1 1 297.261 3.478 20 0 CGADMM COC(=O)c1ccc(F)cc1-c1ccc(F)cc1[O-] ZINC001242217778 822915157 /nfs/dbraw/zinc/91/51/57/822915157.db2.gz LINABUMCBXDNSH-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM [O-]c1cc(F)ccc1-c1cc(C2OCCO2)ccc1F ZINC001242218947 822915411 /nfs/dbraw/zinc/91/54/11/822915411.db2.gz FIBREJHCCXNPSV-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM Cc1cccc(-c2nccc(OC(C)(C)C)n2)c1[O-] ZINC001242344354 822957548 /nfs/dbraw/zinc/95/75/48/822957548.db2.gz JEJDSWYOBHTPPU-UHFFFAOYSA-N -1 1 258.321 3.335 20 0 CGADMM COC(=O)c1c(F)ccc(F)c1-c1cccc(F)c1[O-] ZINC001242354074 822963289 /nfs/dbraw/zinc/96/32/89/822963289.db2.gz QCJSVNXFDHUBAQ-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM CCOC(=O)c1cncc(-c2cccc(Cl)c2[O-])c1 ZINC001242365057 822968395 /nfs/dbraw/zinc/96/83/95/822968395.db2.gz VANPXISTPQYTJD-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM CS(=O)(=O)Cc1ccccc1-c1cccc(Cl)c1[O-] ZINC001242366002 822968892 /nfs/dbraw/zinc/96/88/92/822968892.db2.gz OCAKORGVBSCMDX-UHFFFAOYSA-N -1 1 296.775 3.257 20 0 CGADMM CN1Cc2ccc(-c3cccc(Cl)c3[O-])cc2C1=O ZINC001242367832 822970006 /nfs/dbraw/zinc/97/00/06/822970006.db2.gz UCQGMSPXPLEHNC-UHFFFAOYSA-N -1 1 273.719 3.298 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCC[C@@H](F)C1 ZINC001339541208 936376373 /nfs/dbraw/zinc/37/63/73/936376373.db2.gz ZXWLRHWMYDDKJN-HTQZYQBOSA-N -1 1 273.254 3.137 20 0 CGADMM O=C(CC1CCC1)Nc1cc(F)c([O-])cc1Cl ZINC001342542226 936469697 /nfs/dbraw/zinc/46/96/97/936469697.db2.gz SUWBTGWTRGWKMR-UHFFFAOYSA-N -1 1 257.692 3.313 20 0 CGADMM O=C([N-]c1nc2ccccc2s1)c1ocnc1C(F)F ZINC001348694134 936931129 /nfs/dbraw/zinc/93/11/29/936931129.db2.gz MVHGCRIZOJYDLA-UHFFFAOYSA-N -1 1 295.270 3.474 20 0 CGADMM CC[C@H]([N-]c1nc(C)no1)c1nc(C(F)(F)F)cs1 ZINC001354119993 937090318 /nfs/dbraw/zinc/09/03/18/937090318.db2.gz HGSWAIVGGXGUHD-LURJTMIESA-N -1 1 292.286 3.417 20 0 CGADMM C[C@@H](CCC1CCCCC1)NC(=O)c1ccc([O-])cn1 ZINC001136773399 928181872 /nfs/dbraw/zinc/18/18/72/928181872.db2.gz ADEMSPCEPHICRA-LBPRGKRZSA-N -1 1 276.380 3.266 20 0 CGADMM CC(C)CCCCCCNC(=O)c1ncccc1[O-] ZINC000232600205 928207090 /nfs/dbraw/zinc/20/70/90/928207090.db2.gz JOTFTVYONGGXAY-UHFFFAOYSA-N -1 1 264.369 3.124 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H]2CCCc3cccnc32)n1 ZINC001363185976 937230797 /nfs/dbraw/zinc/23/07/97/937230797.db2.gz OVWBULIRRZNGIH-GFCCVEGCSA-N -1 1 287.388 3.309 20 0 CGADMM O=C1[N-]C(=S)SC1=Cc1cc(F)ccc1F ZINC000207688991 928880356 /nfs/dbraw/zinc/88/03/56/928880356.db2.gz QEWKRKYLGUETOU-XBXARRHUSA-N -1 1 257.286 3.294 20 0 CGADMM CC[C@@H](NC(=O)c1ncccc1[O-])c1ccc(Cl)s1 ZINC001444141578 937350479 /nfs/dbraw/zinc/35/04/79/937350479.db2.gz QZCCQNOGFBQVNH-MRVPVSSYSA-N -1 1 296.779 3.383 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ccsc2)c1 ZINC001444638606 937353236 /nfs/dbraw/zinc/35/32/36/937353236.db2.gz OGCQWVGWEIHCOL-UHFFFAOYSA-N -1 1 265.359 3.428 20 0 CGADMM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([O-])cn1 ZINC001450611872 937386890 /nfs/dbraw/zinc/38/68/90/937386890.db2.gz SROTXZCRXGEPQG-VXGBXAGGSA-N -1 1 276.380 3.074 20 0 CGADMM C[C@H](Oc1ccccc1)C(=O)Nc1cc([O-])c(F)cc1F ZINC001450899606 937387459 /nfs/dbraw/zinc/38/74/59/937387459.db2.gz KEFHVJIBMDUFJI-VIFPVBQESA-N -1 1 293.269 3.076 20 0 CGADMM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1c([O-])cccc1F ZINC001453879400 937405252 /nfs/dbraw/zinc/40/52/52/937405252.db2.gz RJLPCVFAJNIIQU-HOTGVXAUSA-N -1 1 299.345 3.453 20 0 CGADMM Cc1cccnc1[C@@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001456922880 937436707 /nfs/dbraw/zinc/43/67/07/937436707.db2.gz HOGJGJPFVIFGTD-OAHLLOKOSA-N -1 1 299.374 3.008 20 0 CGADMM Cc1cccnc1[C@H](NC(=O)c1ncccc1[O-])C(C)(C)C ZINC001456922781 937436778 /nfs/dbraw/zinc/43/67/78/937436778.db2.gz HOGJGJPFVIFGTD-HNNXBMFYSA-N -1 1 299.374 3.008 20 0 CGADMM O=c1cc(O[C@H]2CCc3ccc(Cl)cc32)[nH]c(=S)[n-]1 ZINC001225765455 932039086 /nfs/dbraw/zinc/03/90/86/932039086.db2.gz LDYLMRZFPBXVHS-JTQLQIEISA-N -1 1 294.763 3.191 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001229475258 932157186 /nfs/dbraw/zinc/15/71/86/932157186.db2.gz RXGWLYPUKQUKME-RWSFTLGLSA-N -1 1 258.317 3.328 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)C1CCOCC1 ZINC001229475460 932157420 /nfs/dbraw/zinc/15/74/20/932157420.db2.gz WXVRZCMBTDAGKQ-NSHDSACASA-N -1 1 278.348 3.179 20 0 CGADMM CCC(=O)c1ccc([O-])cc1OCCOC1CCCC1 ZINC001229476111 932158682 /nfs/dbraw/zinc/15/86/82/932158682.db2.gz FTDIEPODBUDMMA-UHFFFAOYSA-N -1 1 278.348 3.323 20 0 CGADMM CCC[C@H](Oc1nc(C)[n-]c(=O)c1OC)C(C)(C)C ZINC001230020564 932523536 /nfs/dbraw/zinc/52/35/36/932523536.db2.gz DNWRHECLLYSWPT-JTQLQIEISA-N -1 1 268.357 3.093 20 0 CGADMM O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1ncc2ccccc2c1[O-] ZINC001303698204 932831513 /nfs/dbraw/zinc/83/15/13/932831513.db2.gz LGYHQWPJONDEIC-HUBLWGQQSA-N -1 1 296.370 3.106 20 0 CGADMM O=C(NCCC1(c2ccccc2)CC1)c1c([O-])cccc1F ZINC001303781655 932833227 /nfs/dbraw/zinc/83/32/27/932833227.db2.gz JNCRBJBKKDQMGQ-UHFFFAOYSA-N -1 1 299.345 3.383 20 0 CGADMM O=C(CC1CCCCC1)NCCc1c(F)cc([O-])cc1F ZINC001304012803 932839333 /nfs/dbraw/zinc/83/93/33/932839333.db2.gz CWLFRBOEMARRIB-UHFFFAOYSA-N -1 1 297.345 3.300 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cc(Cl)c[nH]1 ZINC001304283208 932848553 /nfs/dbraw/zinc/84/85/53/932848553.db2.gz CYTIUSJSJHSBDV-UHFFFAOYSA-N -1 1 289.093 3.419 20 0 CGADMM C[C@H]1COc2ccccc2C[N@@H+]1Cc1ccc(O)c(F)c1 ZINC001308686236 933158477 /nfs/dbraw/zinc/15/84/77/933158477.db2.gz ZHWOVZFBINBSML-LBPRGKRZSA-N -1 1 287.334 3.314 20 0 CGADMM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1sccc1Cl ZINC001309436951 933234531 /nfs/dbraw/zinc/23/45/31/933234531.db2.gz NLVIWMVAORRQGB-IUCAKERBSA-N -1 1 293.841 3.116 20 0 CGADMM CCCC[C@H](CCC)C[N-]S(=O)(=O)c1ccns1 ZINC001463301862 937671136 /nfs/dbraw/zinc/67/11/36/937671136.db2.gz WGYFZRSJKJQPTH-NSHDSACASA-N -1 1 290.454 3.028 20 0 CGADMM CC(C)[C@H](CC1CCCCC1)C(=O)Nc1c[n-][nH]c1=O ZINC001413842029 933289695 /nfs/dbraw/zinc/28/96/95/933289695.db2.gz CHEYEPMVLHXIKM-LBPRGKRZSA-N -1 1 279.384 3.296 20 0 CGADMM CC(C)C1(C)CCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001467296059 937716983 /nfs/dbraw/zinc/71/69/83/937716983.db2.gz KPIIFJXKQZJOLU-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM CN(Cc1cc(F)cc(F)c1)C(=O)c1cccc([O-])c1F ZINC001467790949 937722581 /nfs/dbraw/zinc/72/25/81/937722581.db2.gz NIFGVNYMIPCHLU-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc([O-])cn2)C1 ZINC001467869005 937723201 /nfs/dbraw/zinc/72/32/01/937723201.db2.gz HNMJTAZNAUMCCY-BLLLJJGKSA-N -1 1 282.343 3.011 20 0 CGADMM CCCN1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1O ZINC001319530379 933888039 /nfs/dbraw/zinc/88/80/39/933888039.db2.gz WIMPKNASDHFUKB-CYBMUJFWSA-N -1 1 296.798 3.249 20 0 CGADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1cccc([O-])c1F ZINC001468446730 937728299 /nfs/dbraw/zinc/72/82/99/937728299.db2.gz OUASBQSLXRYOAE-OAHLLOKOSA-N -1 1 299.345 3.455 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])C(F)=C1CCCC1 ZINC001469162773 937736250 /nfs/dbraw/zinc/73/62/50/937736250.db2.gz YIKGZMSEHGQBPC-UHFFFAOYSA-N -1 1 271.238 3.407 20 0 CGADMM O=C(NC1(c2ccccc2)CC1)c1cc(Cl)ccc1[O-] ZINC001546190272 937772159 /nfs/dbraw/zinc/77/21/59/937772159.db2.gz KASBDTIGFYJBJV-UHFFFAOYSA-N -1 1 287.746 3.465 20 0 CGADMM O=C(NC[C@H]1CCC=CCCC1)c1ccc([O-])cc1F ZINC001472304003 937774991 /nfs/dbraw/zinc/77/49/91/937774991.db2.gz UIMXUMLWYHALQJ-LBPRGKRZSA-N -1 1 277.339 3.398 20 0 CGADMM O=C(NC[C@H]1C[C@H]1Cc1ccccc1)c1ccc(F)c([O-])c1 ZINC001472374158 937775649 /nfs/dbraw/zinc/77/56/49/937775649.db2.gz MOMQDYZMFPVKDZ-HUUCEWRRSA-N -1 1 299.345 3.140 20 0 CGADMM CC(C)[C@H](F)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001325193142 934893562 /nfs/dbraw/zinc/89/35/62/934893562.db2.gz IEFAJMADIXCNCS-JTQLQIEISA-N -1 1 290.132 3.087 20 0 CGADMM CN(Cc1cc2ccccc2[nH]1)C(=O)c1ccc([O-])c(F)c1 ZINC001325598558 934920167 /nfs/dbraw/zinc/92/01/67/934920167.db2.gz WMBFBQZPIPHSFD-UHFFFAOYSA-N -1 1 298.317 3.285 20 0 CGADMM Cc1cccc([C@@H](C)C(=O)[N-]OCc2cccc(C)n2)c1 ZINC001331886958 935418372 /nfs/dbraw/zinc/41/83/72/935418372.db2.gz SAOGLOQKALRERT-CQSZACIVSA-N -1 1 284.359 3.050 20 0 CGADMM O=C(NCCCC(F)F)c1cc2ccccc2cc1[O-] ZINC001335146134 936131747 /nfs/dbraw/zinc/13/17/47/936131747.db2.gz GNYFGVFOPFUKGP-UHFFFAOYSA-N -1 1 279.286 3.321 20 0 CGADMM CCCCCC(C)(C)C[N-]S(=O)(=O)c1ccns1 ZINC001475071613 937881114 /nfs/dbraw/zinc/88/11/14/937881114.db2.gz NBNBURZWGKIVAX-UHFFFAOYSA-N -1 1 290.454 3.028 20 0 CGADMM O=C(NC[C@H]1CCc2ccccc2C1)c1cc(F)ccc1[O-] ZINC001546264535 937970110 /nfs/dbraw/zinc/97/01/10/937970110.db2.gz ZOCHNVXIJGMNGZ-LBPRGKRZSA-N -1 1 299.345 3.066 20 0 CGADMM CC(C)(C(=O)Nc1ccc([O-])c(F)c1F)C(F)(F)F ZINC001528485050 938067841 /nfs/dbraw/zinc/06/78/41/938067841.db2.gz YTKBGNKIJHLXGS-UHFFFAOYSA-N -1 1 283.196 3.197 20 0 CGADMM O=C(Nc1ccc(F)cc1F)c1cccc([O-])c1F ZINC001540325744 938130088 /nfs/dbraw/zinc/13/00/88/938130088.db2.gz IVPQJYVXAKYAPF-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM CCOc1ccc(NC(=O)c2cccc([O-])c2F)cc1 ZINC001540362359 938130494 /nfs/dbraw/zinc/13/04/94/938130494.db2.gz FAQBKRSPAASDFP-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(F)c([O-])c2)C1 ZINC001540604679 938132347 /nfs/dbraw/zinc/13/23/47/938132347.db2.gz BDZHYKHFEMMCGU-JQWIXIFHSA-N -1 1 265.328 3.182 20 0 CGADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccc([O-])c1F ZINC001540667106 938132805 /nfs/dbraw/zinc/13/28/05/938132805.db2.gz AWZXMXOOQSNOHQ-PWSUYJOCSA-N -1 1 265.328 3.182 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])cn1)c1cccc(Cl)c1 ZINC001540797342 938133932 /nfs/dbraw/zinc/13/39/32/938133932.db2.gz VEFOKFWAEOOGSU-CYBMUJFWSA-N -1 1 290.750 3.322 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(F)c([O-])c2)o1 ZINC001544634498 938146169 /nfs/dbraw/zinc/14/61/69/938146169.db2.gz YKNGQCAZOPUDED-BXKDBHETSA-N -1 1 289.306 3.178 20 0 CGADMM O=C(NC1(C(F)(F)F)CCC1)c1ccc(Cl)cc1[O-] ZINC001544808163 938147157 /nfs/dbraw/zinc/14/71/57/938147157.db2.gz SABFAAUFEUWTPR-UHFFFAOYSA-N -1 1 293.672 3.260 20 0 CGADMM CC[C@@H](C)CN(CC)C(=O)c1cccc([O-])c1F ZINC001545192250 938149134 /nfs/dbraw/zinc/14/91/34/938149134.db2.gz FMBVSJJZNCXQCB-SNVBAGLBSA-N -1 1 253.317 3.040 20 0 CGADMM CCC1(CC)CCN(C(=O)c2cc(C)cc(C=O)c2[O-])C1 ZINC001545421835 938149503 /nfs/dbraw/zinc/14/95/03/938149503.db2.gz OOYMLXLAPNIRQZ-UHFFFAOYSA-N -1 1 289.375 3.165 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1C[C@@H](C2CC2)C[C@@H]1C1CC1 ZINC001551062151 938175693 /nfs/dbraw/zinc/17/56/93/938175693.db2.gz DQDOUVLZWHHBBZ-SWLSCSKDSA-N -1 1 289.350 3.182 20 0 CGADMM CCc1ccccc1CC(=O)Nc1cc([O-])c(F)cc1F ZINC001556920290 938206400 /nfs/dbraw/zinc/20/64/00/938206400.db2.gz LHSOSAMZLOHKDY-UHFFFAOYSA-N -1 1 291.297 3.414 20 0 CGADMM CC(C)c1cccc(C(=O)Nc2cc([O-])c(F)cc2F)n1 ZINC001556919783 938206526 /nfs/dbraw/zinc/20/65/26/938206526.db2.gz PTTXPKXTNRGGFZ-UHFFFAOYSA-N -1 1 292.285 3.441 20 0 CGADMM CC[C@@H](C(=O)[N-]OCCOc1ccccc1)c1ccccc1 ZINC001558778576 938217731 /nfs/dbraw/zinc/21/77/31/938217731.db2.gz YMNZGQFRSGVWJD-QGZVFWFLSA-N -1 1 299.370 3.307 20 0 CGADMM Cc1nc(SC[C@H]2CCC3(CCCC3)O2)[n-]c(=O)c1C ZINC001559393565 938226035 /nfs/dbraw/zinc/22/60/35/938226035.db2.gz SYSFWMWOTSMAKH-GFCCVEGCSA-N -1 1 294.420 3.383 20 0 CGADMM Cc1cnc(SCCOc2cccc(Cl)c2)[n-]c1=O ZINC001559416127 938226360 /nfs/dbraw/zinc/22/63/60/938226360.db2.gz WVAFFNQZBBALAF-UHFFFAOYSA-N -1 1 296.779 3.315 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN1CC(C)(C)OC(C)(C)C1 ZINC000226431631 959877683 /nfs/dbraw/zinc/87/76/83/959877683.db2.gz KGJHQADPKRYPLV-UHFFFAOYSA-N -1 1 297.420 3.144 20 0 CGADMM C[C@@H](NCc1ccoc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000235221684 960399812 /nfs/dbraw/zinc/39/98/12/960399812.db2.gz SRQOOABPXDMUJG-SECBINFHSA-N -1 1 279.723 3.482 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@]2(CC=CCC2)C1 ZINC001565718497 960810385 /nfs/dbraw/zinc/81/03/85/960810385.db2.gz JWAKWWREJMHESB-QGZVFWFLSA-N -1 1 289.350 3.494 20 0 CGADMM C[C@@H]1CN(C(=O)c2cccc([O-])c2F)[C@@H]2CCCC[C@H]21 ZINC001566798354 961020162 /nfs/dbraw/zinc/02/01/62/961020162.db2.gz GKFBZCPQMYOMEU-NTZNESFSSA-N -1 1 277.339 3.182 20 0 CGADMM Cc1ccc(C(F)(F)C(=O)[N-]N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC001568875774 961647547 /nfs/dbraw/zinc/64/75/47/961647547.db2.gz VJRUHFRRKJYGLA-STQMWFEESA-N -1 1 296.361 3.381 20 0 CGADMM CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)ccc1[O-] ZINC001570323340 961942828 /nfs/dbraw/zinc/94/28/28/961942828.db2.gz OGNUFFNXWQUPAM-TZMCWYRMSA-N -1 1 297.782 3.123 20 0 CGADMM Cc1cnc(C(=O)NC[C@H]2CCCC(C)(C)C2)c([O-])c1 ZINC001570368339 961953487 /nfs/dbraw/zinc/95/34/87/961953487.db2.gz IBHSHYPERIVSSD-LBPRGKRZSA-N -1 1 276.380 3.042 20 0 CGADMM CC[C@H](NC(=O)c1cc(C)cc(C=O)c1[O-])[C@H]1CC1(C)C ZINC001570452800 961969493 /nfs/dbraw/zinc/96/94/93/961969493.db2.gz ZIXCICOGVIOCGW-KGLIPLIRSA-N -1 1 289.375 3.068 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2cccs2)[nH]1 ZINC001574966189 962345893 /nfs/dbraw/zinc/34/58/93/962345893.db2.gz LXHWTDLIRMAOMI-LBPRGKRZSA-N -1 1 276.361 3.112 20 0 CGADMM Nc1ccc(F)cc1NCc1ccc([O-])c(F)c1F ZINC001580448035 962723152 /nfs/dbraw/zinc/72/31/52/962723152.db2.gz SZLAZNLXEWZXNC-UHFFFAOYSA-N -1 1 268.238 3.004 20 0 CGADMM Cc1ccc(C)c([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001581181754 962751091 /nfs/dbraw/zinc/75/10/91/962751091.db2.gz AUIBJLTWDFAWBV-GFCCVEGCSA-N -1 1 294.362 3.052 20 0 CGADMM Cc1ccc(C)c([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001581181754 962751104 /nfs/dbraw/zinc/75/11/04/962751104.db2.gz AUIBJLTWDFAWBV-GFCCVEGCSA-N -1 1 294.362 3.052 20 0 CGADMM Nc1ccc(Cl)cc1C(=O)Nc1c([O-])cccc1F ZINC001583972307 962871323 /nfs/dbraw/zinc/87/13/23/962871323.db2.gz XFLIUIUOBJLBRC-UHFFFAOYSA-N -1 1 280.686 3.019 20 0 CGADMM CC(C)C[C@@H]1CCCN1C(=O)c1cccc([O-])c1F ZINC001584536316 962932249 /nfs/dbraw/zinc/93/22/49/962932249.db2.gz YJTPWAPKXXPKKB-NSHDSACASA-N -1 1 265.328 3.182 20 0 CGADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1ncc(C)cc1[O-])[C@H](C)C2 ZINC001584556904 962938315 /nfs/dbraw/zinc/93/83/15/962938315.db2.gz LHDLQSZXSKCEIG-WBMJQRKESA-N -1 1 296.370 3.067 20 0 CGADMM O=C(N[C@@]12C[C@@H]1CCCC2)c1ccc2ccc(O)cc2c1[O-] ZINC001587274621 963182553 /nfs/dbraw/zinc/18/25/53/963182553.db2.gz YPGSYZBHZWFXIP-SGTLLEGYSA-N -1 1 297.354 3.314 20 0 CGADMM Cc1cc(F)c(C(=O)Nc2cccc(F)c2[O-])cc1F ZINC001587389368 963191825 /nfs/dbraw/zinc/19/18/25/963191825.db2.gz ISZVDVRITALXEQ-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CCc1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)nc1 ZINC001588595861 963285771 /nfs/dbraw/zinc/28/57/71/963285771.db2.gz ZOSIITBBMPTWHW-UHFFFAOYSA-N -1 1 290.750 3.184 20 0 CGADMM CC(C)[C@H](C)Sc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001589436940 963989531 /nfs/dbraw/zinc/98/95/31/963989531.db2.gz MSSBONUQYRJPFT-YFKPBYRVSA-N -1 1 289.817 3.113 20 0 CGADMM C[C@@H](NCCSC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000397394717 972997664 /nfs/dbraw/zinc/99/76/64/972997664.db2.gz ZUVBMIOSGDHUCW-MRVPVSSYSA-N -1 1 288.438 3.024 20 0 CGADMM CC[C@H]1CCCCN1[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595452055 981112858 /nfs/dbraw/zinc/11/28/58/981112858.db2.gz YRDRQGUGADYZPP-ZJUUUORDSA-N -1 1 268.382 3.167 20 0 CGADMM CC[C@@H]1CN(Cc2ccc(C(=O)[O-])c(C)c2)C[C@@H](CC)O1 ZINC001595488135 981234960 /nfs/dbraw/zinc/23/49/60/981234960.db2.gz NHBZLOABEIMBAO-HUUCEWRRSA-N -1 1 291.391 3.083 20 0 CGADMM CCC[C@@](C)(NCc1oncc1C(=O)[O-])c1ccccc1 ZINC001595560110 981446230 /nfs/dbraw/zinc/44/62/30/981446230.db2.gz WVALWPVQUBUZFY-MRXNPFEDSA-N -1 1 288.347 3.178 20 0 CGADMM CCC[C@H](NCc1cc(C)c(C(=O)[O-])[nH]1)c1ccccn1 ZINC001595599751 981573671 /nfs/dbraw/zinc/57/36/71/981573671.db2.gz AFRFZZRKDXYUSC-ZDUSSCGKSA-N -1 1 287.363 3.047 20 0 CGADMM CC[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccccc1F ZINC001597291808 987382421 /nfs/dbraw/zinc/38/24/21/987382421.db2.gz ZITZHJSXXOHJIT-CABCVRRESA-N -1 1 288.322 3.087 20 0 CGADMM CCc1ccccc1CN[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001597609782 988499785 /nfs/dbraw/zinc/49/97/85/988499785.db2.gz VENINTVJLCWABN-SFHVURJKSA-N -1 1 298.386 3.124 20 0 CGADMM CC(C)(CCN1CCc2c(Cl)cc(F)cc2C1)C(=O)[O-] ZINC001590671379 990384130 /nfs/dbraw/zinc/38/41/30/990384130.db2.gz XSPVCDXFZQMVRP-UHFFFAOYSA-N -1 1 299.773 3.338 20 0 CGADMM CN(Cc1cccn1C1CC1)Cc1ccc(C(=O)[O-])cc1 ZINC001598514060 992600250 /nfs/dbraw/zinc/60/02/50/992600250.db2.gz WDRSLNGKYDBHQW-UHFFFAOYSA-N -1 1 284.359 3.153 20 0 CGADMM CC(C)N(Cc1cccc(C(=O)[O-])c1Cl)[C@@H]1CCOC1 ZINC001591600637 992831453 /nfs/dbraw/zinc/83/14/53/992831453.db2.gz QQYGWAFQPPDTQH-GFCCVEGCSA-N -1 1 297.782 3.038 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N(C)CCC(C)(C)C ZINC001593732522 996313283 /nfs/dbraw/zinc/31/32/83/996313283.db2.gz WBGACIJCJWYLLO-VIFPVBQESA-N -1 1 270.398 3.270 20 0 CGADMM C[C@@H]1C[C@H](C(C)(C)C)CCN1Cc1ncc(C(=O)[O-])s1 ZINC001594213803 998824325 /nfs/dbraw/zinc/82/43/25/998824325.db2.gz GGBUNRXHVVHWGY-GHMZBOCLSA-N -1 1 296.436 3.488 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CC(C)(C)C[C@@H]1C ZINC001594217298 998837373 /nfs/dbraw/zinc/83/73/73/998837373.db2.gz QSQTZQGCQFAQGT-DTWKUNHWSA-N -1 1 268.382 3.023 20 0 CGADMM C[C@@H]1C[C@H](C)N1Cc1cc(Br)ccc1C(=O)[O-] ZINC001594232257 998883930 /nfs/dbraw/zinc/88/39/30/998883930.db2.gz HAWQBRLDGSIMST-DTORHVGOSA-N -1 1 298.180 3.130 20 0 CGADMM C[C@H]1CCC[C@@H](C2CN(Cc3cc(C(=O)[O-])co3)C2)C1 ZINC001594344892 999304346 /nfs/dbraw/zinc/30/43/46/999304346.db2.gz KAQXGWRWMWEJCN-NWDGAFQWSA-N -1 1 277.364 3.236 20 0 CGADMM CCC(CC)(CC)CN=c1nc([C@@H](C)OC)[n-]s1 ZINC000337882025 214299265 /nfs/dbraw/zinc/29/92/65/214299265.db2.gz VJESTWJMWXTADP-SNVBAGLBSA-N -1 1 271.430 3.296 20 0 CGADMM CCc1ccc([C@H](C)NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436668378 529719832 /nfs/dbraw/zinc/71/98/32/529719832.db2.gz XVCMOKGFAIGXSJ-LBPRGKRZSA-N -1 1 297.354 3.015 20 0 CGADMM O=C(NC[C@@H]1CCCCS1)c1ccc(Cl)cc1[O-] ZINC000158287644 232236519 /nfs/dbraw/zinc/23/65/19/232236519.db2.gz AHJCPLIBMPRKJL-JTQLQIEISA-N -1 1 285.796 3.061 20 0 CGADMM C[C@@H]1C[C@H](C)N(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000162938831 232255192 /nfs/dbraw/zinc/25/51/92/232255192.db2.gz YVXIUWMTFSGIPW-NEPJUHHUSA-N -1 1 269.344 3.416 20 0 CGADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1cc(Cl)cc(Cl)c1 ZINC000092942110 345863359 /nfs/dbraw/zinc/86/33/59/345863359.db2.gz TVLJMOSJDNQMEY-PELKAZGASA-N -1 1 288.174 3.288 20 0 CGADMM CCC(C)(C)C(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000351648144 219162907 /nfs/dbraw/zinc/16/29/07/219162907.db2.gz FESYTRHYLIHIAN-UHFFFAOYSA-N -1 1 280.393 3.157 20 0 CGADMM O=C(NC[C@@H]1Cc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000107287686 345934120 /nfs/dbraw/zinc/93/41/20/345934120.db2.gz VQVIZVQYCXWSQQ-NSHDSACASA-N -1 1 287.746 3.115 20 0 CGADMM C[C@H](CNC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000132757153 346073797 /nfs/dbraw/zinc/07/37/97/346073797.db2.gz OSHQMAZABPRNKG-LLVKDONJSA-N -1 1 269.344 3.321 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN(C)Cc1cccs1 ZINC000155955498 346156087 /nfs/dbraw/zinc/15/60/87/346156087.db2.gz VLWSIIYMUFPPCJ-UHFFFAOYSA-N -1 1 281.402 3.448 20 0 CGADMM C[C@H](c1ccc(Cl)cc1)N1CCSC[C@H]1CC(=O)[O-] ZINC000251785606 346390049 /nfs/dbraw/zinc/39/00/49/346390049.db2.gz UPOKESNTZRGGNY-ZWNOBZJWSA-N -1 1 299.823 3.293 20 0 CGADMM O=C(CCSC[C@@H]1C[C@H]2C[C@H]2C1)c1ccc([O-])cc1O ZINC000600578174 347811124 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/nfs/dbraw/zinc/20/72/84/348207284.db2.gz LWRRJKYEWGUZTC-UHFFFAOYSA-N -1 1 291.363 3.069 20 0 CGADMM COc1ccc(C(=O)Nc2c([O-])cccc2F)c(C)c1 ZINC000608366423 348301548 /nfs/dbraw/zinc/30/15/48/348301548.db2.gz UYPCVKZZRHLOAX-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ncc2ccccc2c1[O-] ZINC000611746668 348473219 /nfs/dbraw/zinc/47/32/19/348473219.db2.gz BSGWERIMOBPCJW-AAEUAGOBSA-N -1 1 284.359 3.201 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C[C@@H]1C ZINC000613162965 348569841 /nfs/dbraw/zinc/56/98/41/348569841.db2.gz RFFQSMHWOIBXEC-NEPJUHHUSA-N -1 1 284.359 3.059 20 0 CGADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ncc2ccccc2c1[O-] ZINC000614012914 348646394 /nfs/dbraw/zinc/64/63/94/348646394.db2.gz MDDHOVWJKAFGMH-LBPRGKRZSA-N -1 1 296.370 3.345 20 0 CGADMM CCCc1cc(=O)n(-c2cccc3ncccc32)[n-]1 ZINC000614187133 348656803 /nfs/dbraw/zinc/65/68/03/348656803.db2.gz QQANOAIXJUSQRE-UHFFFAOYSA-N -1 1 253.305 3.128 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C1CC(C)(C)CC(C)(C)C1 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O=C(c1cc2ccccc2cc1[O-])N1CC[C@H]2C[C@H]2C1 ZINC000619349010 349232879 /nfs/dbraw/zinc/23/28/79/349232879.db2.gz RWHHUJWBPORHLS-KBPBESRZSA-N -1 1 267.328 3.027 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C2CCOCC2)n1 ZINC000629090701 350649326 /nfs/dbraw/zinc/64/93/26/350649326.db2.gz ZWJQZACMVIMSSV-JTQLQIEISA-N -1 1 282.409 3.042 20 0 CGADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380761 350686109 /nfs/dbraw/zinc/68/61/09/350686109.db2.gz XEUQATBLHLGHEQ-DOMZBBRYSA-N -1 1 299.374 3.343 20 0 CGADMM Cc1ccc2nc(-c3coc(C4CC4)n3)[n-]c(=O)c2c1 ZINC000630384778 350830432 /nfs/dbraw/zinc/83/04/32/350830432.db2.gz HWZUXGGFXVQZJO-UHFFFAOYSA-N -1 1 267.288 3.176 20 0 CGADMM CN(C(=O)N=c1[n-]sc2ccccc21)C1CCCC1 ZINC000630345998 350825866 /nfs/dbraw/zinc/82/58/66/350825866.db2.gz HIKVPUDDTIVTMV-UHFFFAOYSA-N -1 1 275.377 3.125 20 0 CGADMM CC1(C)CO[C@H](CSc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000631020000 350925882 /nfs/dbraw/zinc/92/58/82/350925882.db2.gz ARABVUWDAMBZKR-ZETCQYMHSA-N -1 1 290.335 3.027 20 0 CGADMM CCC(C)(CC)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631279751 351014407 /nfs/dbraw/zinc/01/44/07/351014407.db2.gz RSNKFMQQWZIYLK-UHFFFAOYSA-N -1 1 269.772 3.283 20 0 CGADMM CC(C)C1(CNC(=O)Cc2ccc([O-])c(Cl)c2)CC1 ZINC000631699407 351122653 /nfs/dbraw/zinc/12/26/53/351122653.db2.gz IOMFKYAFHFQWNY-UHFFFAOYSA-N -1 1 281.783 3.141 20 0 CGADMM CCC1(CC)CN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000633205415 351255618 /nfs/dbraw/zinc/25/56/18/351255618.db2.gz SGSRKPMKBBYAEX-UHFFFAOYSA-N -1 1 281.783 3.237 20 0 CGADMM CC1(C)CC(CNC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000632680045 351208919 /nfs/dbraw/zinc/20/89/19/351208919.db2.gz ZHZIVLWXJNXCOR-UHFFFAOYSA-N -1 1 281.783 3.141 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H](C1CC1)C1CCC1 ZINC000633382455 351289848 /nfs/dbraw/zinc/28/98/48/351289848.db2.gz PCKCAUHGOMYCTE-MRXNPFEDSA-N -1 1 293.794 3.283 20 0 CGADMM C[C@]12CCCC[C@H]1CN2C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633695567 351347640 /nfs/dbraw/zinc/34/76/40/351347640.db2.gz RXZFQZAZSFUHAZ-LRDDRELGSA-N -1 1 293.794 3.379 20 0 CGADMM Cc1[n-]n(-c2ccccc2Br)c(=O)c1C1CC1 ZINC000634587224 351525077 /nfs/dbraw/zinc/52/50/77/351525077.db2.gz IDAFJWFPOVHJHJ-GFCCVEGCSA-N -1 1 293.164 3.198 20 0 CGADMM Cc1[n-]n(-c2cccc(C(F)(F)F)c2)c(=O)c1C1CC1 ZINC000634593322 351529634 /nfs/dbraw/zinc/52/96/34/351529634.db2.gz LKVMLZDAQVWVNU-LBPRGKRZSA-N -1 1 282.265 3.454 20 0 CGADMM O=c1c2c([n-]n1Cc1cc(F)ccc1F)CCCCC2 ZINC000634596341 351532154 /nfs/dbraw/zinc/53/21/54/351532154.db2.gz CYKNGOAFTPTFPX-LBPRGKRZSA-N -1 1 278.302 3.243 20 0 CGADMM CCCc1c(C)[n-]n(Cc2ccccc2Cl)c1=O ZINC000634597351 351534689 /nfs/dbraw/zinc/53/46/89/351534689.db2.gz HTPWRODFLQLEJV-GFCCVEGCSA-N -1 1 264.756 3.474 20 0 CGADMM C[C@@H](c1ccccc1)n1[n-]c2c(c1=O)C[C@H](C)CC2 ZINC000634599485 351535712 /nfs/dbraw/zinc/53/57/12/351535712.db2.gz JNQAHHSQIHNTOD-MBNYWOFBSA-N -1 1 256.349 3.382 20 0 CGADMM C[C@@H]1CCc2[n-]n(CCCc3ccccc3)c(=O)c2C1 ZINC000634603449 351537519 /nfs/dbraw/zinc/53/75/19/351537519.db2.gz ZPRJUAOBQROXLR-UKRRQHHQSA-N -1 1 270.376 3.254 20 0 CGADMM CCCc1c(C)[n-]n(Cc2cccc(Cl)c2)c1=O ZINC000634604459 351538701 /nfs/dbraw/zinc/53/87/01/351538701.db2.gz HNEUMMMMZJLPLK-ZDUSSCGKSA-N -1 1 264.756 3.474 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3cccc(F)c3Cl)c(=O)c21 ZINC000634611359 351541004 /nfs/dbraw/zinc/54/10/04/351541004.db2.gz STNBFIPYNHZHJU-WRWORJQWSA-N -1 1 266.703 3.228 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(OC)c(Cl)c2)[n-]1 ZINC000634615022 351543278 /nfs/dbraw/zinc/54/32/78/351543278.db2.gz VMNZJIKVPPLALH-UHFFFAOYSA-N -1 1 266.728 3.241 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3cnc4ccccc4c3)c(=O)c2C1 ZINC000634618478 351545395 /nfs/dbraw/zinc/54/53/95/351545395.db2.gz SJRIMPINKLGPEJ-WFASDCNBSA-N -1 1 293.370 3.369 20 0 CGADMM COc1ccc2ccccc2c1Cn1[n-]c2c(c1=O)CCC2 ZINC000634631035 351553336 /nfs/dbraw/zinc/55/33/36/351553336.db2.gz JUOWANVGYNFQLH-CQSZACIVSA-N -1 1 294.354 3.347 20 0 CGADMM O=C(CC1CCC1)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000339843797 215360761 /nfs/dbraw/zinc/36/07/61/215360761.db2.gz WXBJFSXWDZYHTR-UHFFFAOYSA-N -1 1 295.795 3.342 20 0 CGADMM O=C(CCC1CC1)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000339847151 215363543 /nfs/dbraw/zinc/36/35/43/215363543.db2.gz OELZUKCDZABPGZ-UHFFFAOYSA-N -1 1 295.795 3.342 20 0 CGADMM CC1(C)CN(C(=O)c2ccc(Cl)cc2[O-])[C@@H]1C1CC1 ZINC000291876175 198093037 /nfs/dbraw/zinc/09/30/37/198093037.db2.gz HYXBWMHMNVWHMQ-CYBMUJFWSA-N -1 1 279.767 3.306 20 0 CGADMM Cc1ccc([C@H](C)N(C)C(=O)c2cncc([O-])c2)c(C)c1 ZINC000339877786 215376614 /nfs/dbraw/zinc/37/66/14/215376614.db2.gz HEVOGZAIHIBPSD-ZDUSSCGKSA-N -1 1 284.359 3.237 20 0 CGADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)c1ccco1 ZINC000413004455 235240711 /nfs/dbraw/zinc/24/07/11/235240711.db2.gz KFISXQZCJRALAS-QMMMGPOBSA-N -1 1 290.344 3.016 20 0 CGADMM Cc1ccc(C(C)(C)CN(C)C(=O)c2cncc([O-])c2)cc1 ZINC000174506054 188902062 /nfs/dbraw/zinc/90/20/62/188902062.db2.gz TXKMMXZKOSVHJS-UHFFFAOYSA-N -1 1 298.386 3.145 20 0 CGADMM COCC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000112197788 138364594 /nfs/dbraw/zinc/36/45/94/138364594.db2.gz NAADAUZPFKUQJY-UHFFFAOYSA-N -1 1 299.370 3.044 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C ZINC000294119672 198917399 /nfs/dbraw/zinc/91/73/99/198917399.db2.gz NLEDGBFVKOJZCU-MNOVXSKESA-N -1 1 255.317 3.026 20 0 CGADMM CS[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000294446360 199042235 /nfs/dbraw/zinc/04/22/35/199042235.db2.gz RJRRQCRRAKYIDR-ZDUSSCGKSA-N -1 1 287.384 3.123 20 0 CGADMM Cc1cnc(C(=O)N(Cc2ccccc2C)C2CC2)c([O-])c1 ZINC000426418469 236294715 /nfs/dbraw/zinc/29/47/15/236294715.db2.gz XETWHCMNOPRNMG-UHFFFAOYSA-N -1 1 296.370 3.209 20 0 CGADMM CCC(CC)(C[NH2+]Cc1cccc([O-])c1Cl)C(=O)[O-] ZINC000263063282 138566232 /nfs/dbraw/zinc/56/62/32/138566232.db2.gz NINFMNXBVGTYRL-UHFFFAOYSA-N -1 1 285.771 3.026 20 0 CGADMM O=C([O-])[C@H](NCc1ccc(F)c(F)c1)c1ccccc1F ZINC000426799122 236316035 /nfs/dbraw/zinc/31/60/35/236316035.db2.gz HMSZSBMQCYTEQE-CQSZACIVSA-N -1 1 295.260 3.019 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCCC[C@@H]1C(F)F ZINC000436518021 237120664 /nfs/dbraw/zinc/12/06/64/237120664.db2.gz PTWUNZTYPKCBQP-SNVBAGLBSA-N -1 1 289.709 3.305 20 0 CGADMM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ccc(O)cc1[O-] ZINC000436632583 237150409 /nfs/dbraw/zinc/15/04/09/237150409.db2.gz WYHJWUCZGJYJNA-UHFFFAOYSA-N -1 1 294.310 3.345 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(-c2ncsc2Cl)no1 ZINC000436658841 237153129 /nfs/dbraw/zinc/15/31/29/237153129.db2.gz PDHYHVFXOOCBOK-UHFFFAOYSA-N -1 1 297.698 3.358 20 0 CGADMM Cc1cccc(CN(C)C(=O)c2cc(F)ccc2[O-])c1C ZINC000436805613 237181071 /nfs/dbraw/zinc/18/10/71/237181071.db2.gz YDGISAAMPYSEJM-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM O=C(NCCCOC1CCCCC1)c1cc(F)ccc1[O-] ZINC000436748977 237174597 /nfs/dbraw/zinc/17/45/97/237174597.db2.gz XANGADRAZLPXLT-UHFFFAOYSA-N -1 1 295.354 3.001 20 0 CGADMM C[C@H](CNC(=O)c1ccc2ccccc2c1[O-])C(F)(F)F ZINC000436955871 237221606 /nfs/dbraw/zinc/22/16/06/237221606.db2.gz JMZJINBWXWFTLK-SECBINFHSA-N -1 1 297.276 3.474 20 0 CGADMM C[C@H]1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436854337 237197706 /nfs/dbraw/zinc/19/77/06/237197706.db2.gz RXIDAGVIMHWKOG-ONGXEEELSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(NCCCc1ccccc1F)c1cc(F)ccc1[O-] ZINC000436916765 237207934 /nfs/dbraw/zinc/20/79/34/237207934.db2.gz XIDGNROVGMHKGT-UHFFFAOYSA-N -1 1 291.297 3.033 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N(CC1CC1)C1CCC1 ZINC000436928677 237211760 /nfs/dbraw/zinc/21/17/60/237211760.db2.gz BVTUZLYSRMUNIA-UHFFFAOYSA-N -1 1 279.767 3.450 20 0 CGADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297196582 200111790 /nfs/dbraw/zinc/11/17/90/200111790.db2.gz LEYLEMLMRSWBRH-LSDHHAIUSA-N -1 1 296.370 3.196 20 0 CGADMM CC(C)CCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000298266444 200377322 /nfs/dbraw/zinc/37/73/22/200377322.db2.gz BOSXNFAAVIJOFP-UHFFFAOYSA-N -1 1 282.409 3.202 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2nnc(C)s2)n1 ZINC000181715030 189304955 /nfs/dbraw/zinc/30/49/55/189304955.db2.gz PSMVBSKIORUMOL-ZETCQYMHSA-N -1 1 296.421 3.148 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(C(F)F)CC1 ZINC000697624793 799846382 /nfs/dbraw/zinc/84/63/82/799846382.db2.gz BAIJUYURVBTHHS-UHFFFAOYSA-N -1 1 261.655 3.029 20 0 CGADMM CO[C@@H](C)c1nc(=N[C@@H](C)CCC=C(C)C)s[n-]1 ZINC000450681213 240031329 /nfs/dbraw/zinc/03/13/29/240031329.db2.gz ZXGJTJJZCFAJHH-QWRGUYRKSA-N -1 1 269.414 3.214 20 0 CGADMM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ncccc1[O-] ZINC000275373200 193013220 /nfs/dbraw/zinc/01/32/20/193013220.db2.gz VVBVMOKBGKLWEB-AWEZNQCLSA-N -1 1 284.359 3.401 20 0 CGADMM CCc1cc(=O)[nH]c(CN2CCC[C@]3(CC=CCC3)C2)n1 ZINC000120982214 370819879 /nfs/dbraw/zinc/81/98/79/370819879.db2.gz QSUZICLYUOPDNF-QGZVFWFLSA-N -1 1 287.407 3.067 20 0 CGADMM CCCCCNC(=O)c1cc(Br)ccc1[O-] ZINC000015783392 368701817 /nfs/dbraw/zinc/70/18/17/368701817.db2.gz IXBQKAHPOGWNEP-UHFFFAOYSA-N -1 1 286.169 3.075 20 0 CGADMM CN(Cc1ccco1)C(=O)c1ccc2ccccc2c1[O-] ZINC000017790974 368735238 /nfs/dbraw/zinc/73/52/38/368735238.db2.gz AQIFZCAYLMHDMD-UHFFFAOYSA-N -1 1 281.311 3.411 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@H]2C)c([O-])c1 ZINC000493106840 244099621 /nfs/dbraw/zinc/09/96/21/244099621.db2.gz PWIRVUABBFBQDN-CHWSQXEVSA-N -1 1 290.407 3.382 20 0 CGADMM O=C([O-])C[C@@H]1CCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000042163375 369202789 /nfs/dbraw/zinc/20/27/89/369202789.db2.gz HCYXZRASFNPUFX-JTQLQIEISA-N -1 1 288.174 3.433 20 0 CGADMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)cc1C ZINC000075913546 369921980 /nfs/dbraw/zinc/92/19/80/369921980.db2.gz UDNFTVQNEZSIKG-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000088707515 370036964 /nfs/dbraw/zinc/03/69/64/370036964.db2.gz IRNIOWSKOCPHQI-ZJUUUORDSA-N -1 1 267.756 3.306 20 0 CGADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000092599643 370100705 /nfs/dbraw/zinc/10/07/05/370100705.db2.gz BWRCUXZXPQMQTB-RKDXNWHRSA-N -1 1 298.180 3.168 20 0 CGADMM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cncc([O-])c1 ZINC000109042381 370359685 /nfs/dbraw/zinc/35/96/85/370359685.db2.gz FSCQXWGFKGHGEL-NSHDSACASA-N -1 1 296.326 3.367 20 0 CGADMM COc1ccc(NC(=O)c2cc(F)ccc2[O-])c(C)c1 ZINC000132890700 371210392 /nfs/dbraw/zinc/21/03/92/371210392.db2.gz PNCGLCVQJGZKCK-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(Cc2ccc(F)cc2)no1 ZINC000132979745 371216199 /nfs/dbraw/zinc/21/61/99/371216199.db2.gz AEYILRKRUFAJRO-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM CCC(CC)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000134382633 371329840 /nfs/dbraw/zinc/32/98/40/371329840.db2.gz NLLQJIQCHOBQIT-UHFFFAOYSA-N -1 1 255.745 3.212 20 0 CGADMM COc1cc(C(=O)N2CCCC(C)(C)C2)cc(Cl)c1[O-] ZINC000135102534 371391477 /nfs/dbraw/zinc/39/14/77/371391477.db2.gz AJIVNBXWKKJYNX-UHFFFAOYSA-N -1 1 297.782 3.316 20 0 CGADMM COc1cc(C(=O)N2CC[C@H](C)[C@H](C)C2)cc(Cl)c1[O-] ZINC000135223090 371402815 /nfs/dbraw/zinc/40/28/15/371402815.db2.gz MEJIPMFPGNNLES-VHSXEESVSA-N -1 1 297.782 3.172 20 0 CGADMM CCC1(C)CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000147680555 371519258 /nfs/dbraw/zinc/51/92/58/371519258.db2.gz RHVOHZVHODMDOT-UHFFFAOYSA-N -1 1 265.328 3.184 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000148885425 371524542 /nfs/dbraw/zinc/52/45/42/371524542.db2.gz FCJRSGCPNUAYDI-OKILXGFUSA-N -1 1 281.355 3.418 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H](C2CCCC2)C1 ZINC000421940268 371710182 /nfs/dbraw/zinc/71/01/82/371710182.db2.gz AHJUAENYAKHMIC-NSHDSACASA-N -1 1 295.329 3.323 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ncccc1O ZINC000159241444 372121091 /nfs/dbraw/zinc/12/10/91/372121091.db2.gz IVZZVDSPWNSOBW-UHFFFAOYSA-N -1 1 299.113 3.052 20 0 CGADMM O=C(c1cncc([O-])c1)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000293803529 372487416 /nfs/dbraw/zinc/48/74/16/372487416.db2.gz BWXJTQVSSNDHGR-INIZCTEOSA-N -1 1 294.354 3.155 20 0 CGADMM C[C@H](C(=O)[N-]OCC1CC1)c1ccc(Br)cc1 ZINC000293868297 372507033 /nfs/dbraw/zinc/50/70/33/372507033.db2.gz WMRMDMSEFYJBMH-VIFPVBQESA-N -1 1 298.180 3.010 20 0 CGADMM CCC[C@@H](C)N(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442658195 373062882 /nfs/dbraw/zinc/06/28/82/373062882.db2.gz UASDUBVSCZTTJQ-SECBINFHSA-N -1 1 285.771 3.315 20 0 CGADMM CSc1cc(O)ccc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000442793400 373084394 /nfs/dbraw/zinc/08/43/94/373084394.db2.gz AYVFTKTWPVAAPX-UHFFFAOYSA-N -1 1 290.344 3.232 20 0 CGADMM C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1c1ccccc1 ZINC000174231032 373272767 /nfs/dbraw/zinc/27/27/67/373272767.db2.gz GVEOVPMDJLQCBK-ZFWWWQNUSA-N -1 1 296.370 3.053 20 0 CGADMM CC(C)N(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000298408383 373318321 /nfs/dbraw/zinc/31/83/21/373318321.db2.gz RGHYETNMRACCOP-UHFFFAOYSA-N -1 1 253.729 3.059 20 0 CGADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])c2ccccc21 ZINC000175197610 373428689 /nfs/dbraw/zinc/42/86/89/373428689.db2.gz FNVUHHRFGGUKBN-JTQLQIEISA-N -1 1 271.291 3.295 20 0 CGADMM O=c1cc(C2CC2)nc(SCOC2CCCC2)[n-]1 ZINC000289618041 197422467 /nfs/dbraw/zinc/42/24/67/197422467.db2.gz LKBZMLMLVVIPQX-UHFFFAOYSA-N -1 1 266.366 3.068 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCCCC[C@H]1c1ccco1 ZINC000176133376 373559380 /nfs/dbraw/zinc/55/93/80/373559380.db2.gz IRAAUXCNAIZJAZ-AWEZNQCLSA-N -1 1 286.331 3.138 20 0 CGADMM Cc1csc([C@@H](C)[N-]c2nc(C(C)C)no2)n1 ZINC000301349548 373755129 /nfs/dbraw/zinc/75/51/29/373755129.db2.gz VFTZLUZDSKFYMT-MRVPVSSYSA-N -1 1 252.343 3.131 20 0 CGADMM Cc1nc(-c2ccc(N[C@H]3CC[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000302546786 373892763 /nfs/dbraw/zinc/89/27/63/373892763.db2.gz PGBHRXYCSXNBDH-YGRLFVJLSA-N -1 1 298.390 3.462 20 0 CGADMM COc1ccccc1[C@H](C)N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450212152 374000822 /nfs/dbraw/zinc/00/08/22/374000822.db2.gz CIBZDCIOSFJEPZ-VIFPVBQESA-N -1 1 290.388 3.258 20 0 CGADMM CCOc1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000181041970 374071851 /nfs/dbraw/zinc/07/18/51/374071851.db2.gz ISGKEYMWKIIPLR-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)c2ccccc21 ZINC000181884803 374185473 /nfs/dbraw/zinc/18/54/73/374185473.db2.gz WAEACPLOIDKSDP-SNVBAGLBSA-N -1 1 271.291 3.295 20 0 CGADMM CC(C)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)n(C)n1 ZINC000182863718 374336384 /nfs/dbraw/zinc/33/63/84/374336384.db2.gz BDOSVIIPCHWSGI-UHFFFAOYSA-N -1 1 293.754 3.155 20 0 CGADMM CC1(F)CC(NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000452286754 374313488 /nfs/dbraw/zinc/31/34/88/374313488.db2.gz YWWAWXPVTNTBBP-UHFFFAOYSA-N -1 1 273.307 3.166 20 0 CGADMM Cc1cc(Cl)cc(NC(=O)c2ccc(O)cc2[O-])c1O ZINC000182939531 374348005 /nfs/dbraw/zinc/34/80/05/374348005.db2.gz GDPHETTVVCEPLH-UHFFFAOYSA-N -1 1 293.706 3.018 20 0 CGADMM COc1cc(C(=O)N(C)[C@H]2CC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000334141644 206055214 /nfs/dbraw/zinc/05/52/14/206055214.db2.gz INYDNCAYMGMLFY-KOLCDFICSA-N -1 1 297.782 3.315 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCOc2ccccc21 ZINC000089541309 541953373 /nfs/dbraw/zinc/95/33/73/541953373.db2.gz KZNDVYPNOJTULJ-LLVKDONJSA-N -1 1 287.290 3.036 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc(F)c(F)c1 ZINC000089541299 541953803 /nfs/dbraw/zinc/95/38/03/541953803.db2.gz OQOCNNYBMLSQAC-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM Cc1ccnn1-c1ccccc1NC(=O)c1ccccc1[O-] ZINC000184306089 374511839 /nfs/dbraw/zinc/51/18/39/374511839.db2.gz YJLZUIUIDDILMD-UHFFFAOYSA-N -1 1 293.326 3.139 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ccncc2Cl)n1 ZINC000184535771 374535345 /nfs/dbraw/zinc/53/53/45/374535345.db2.gz AOHMCDRZVGUKGC-UHFFFAOYSA-N -1 1 295.795 3.475 20 0 CGADMM CC(C)(C)C(=O)CCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456789679 374623402 /nfs/dbraw/zinc/62/34/02/374623402.db2.gz VDSBULNRFLXMDE-UHFFFAOYSA-N -1 1 299.317 3.394 20 0 CGADMM CCS[C@H](C(=O)Nc1ccc([O-])c(F)c1F)C(C)C ZINC000456792687 374625321 /nfs/dbraw/zinc/62/53/21/374625321.db2.gz JOOSFNPMZNLLHZ-LBPRGKRZSA-N -1 1 289.347 3.387 20 0 CGADMM O=C([N-][C@H]1CCCc2sccc21)C(F)(F)C(F)F ZINC000186406041 374846575 /nfs/dbraw/zinc/84/65/75/374846575.db2.gz DNEFROCVQJJIAV-ZETCQYMHSA-N -1 1 281.274 3.142 20 0 CGADMM CC(C)(C)c1csc(CN2CCCC[C@H]2CC(=O)[O-])n1 ZINC000094969291 541990830 /nfs/dbraw/zinc/99/08/30/541990830.db2.gz KZCPZHSFLMZQHQ-NSHDSACASA-N -1 1 296.436 3.270 20 0 CGADMM CC[C@H](Sc1nc(C(=O)OC)c[n-]1)c1ccccc1 ZINC000187595868 375052109 /nfs/dbraw/zinc/05/21/09/375052109.db2.gz ULJUKBQWOKOHIM-LBPRGKRZSA-N -1 1 276.361 3.440 20 0 CGADMM CC(C)c1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)no1 ZINC000335187441 375210020 /nfs/dbraw/zinc/21/00/20/375210020.db2.gz SUJYUIOWTZIOQS-UHFFFAOYSA-N -1 1 295.726 3.223 20 0 CGADMM CC(C)n1ccc(C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000335779741 375423727 /nfs/dbraw/zinc/42/37/27/375423727.db2.gz RKBFSGUEDHHKIM-UHFFFAOYSA-N -1 1 279.727 3.075 20 0 CGADMM CCc1ccc(C(=O)N(C)c2ccc(F)cc2)c([O-])c1 ZINC000190070152 375475335 /nfs/dbraw/zinc/47/53/35/375475335.db2.gz HSDLJLQVPFHVJD-UHFFFAOYSA-N -1 1 273.307 3.370 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CCC(F)(F)C3)n2)cc1F ZINC000336157549 375734184 /nfs/dbraw/zinc/73/41/84/375734184.db2.gz HFZVXGKTCIPURB-QMMMGPOBSA-N -1 1 284.237 3.484 20 0 CGADMM C[C@@H]1[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1(F)F ZINC000336157070 375734418 /nfs/dbraw/zinc/73/44/18/375734418.db2.gz ZXFMGPPSKMPORX-MLUIRONXSA-N -1 1 286.665 3.464 20 0 CGADMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C(C)(C)C ZINC000520663665 375869408 /nfs/dbraw/zinc/86/94/08/375869408.db2.gz MWQFZWDPUWNVKB-NSHDSACASA-N -1 1 291.363 3.068 20 0 CGADMM Cc1nc(SC[C@@H](C)C(F)(F)F)[n-]c(=O)c1C ZINC000537414875 376168547 /nfs/dbraw/zinc/16/85/47/376168547.db2.gz XSDTXUAHZTVLCL-RXMQYKEDSA-N -1 1 266.288 3.090 20 0 CGADMM COc1cc(C(=O)Nc2ccc(F)cc2[O-])ccc1Cl ZINC000340328064 377002784 /nfs/dbraw/zinc/00/27/84/377002784.db2.gz MTYUYQPAWLAJIR-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1Cc2ccccc2S1 ZINC000340332149 377007344 /nfs/dbraw/zinc/00/73/44/377007344.db2.gz KGDDEIZMSRYGKQ-CQSZACIVSA-N -1 1 289.331 3.187 20 0 CGADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000091527254 249031691 /nfs/dbraw/zinc/03/16/91/249031691.db2.gz JURFHGBFKKGZFO-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM CC1(C(=O)[O-])CCN(Cc2cccc(Cl)c2F)CC1 ZINC000167040603 542175589 /nfs/dbraw/zinc/17/55/89/542175589.db2.gz DEJICZSIRZUMFD-UHFFFAOYSA-N -1 1 285.746 3.166 20 0 CGADMM Cc1cccc(Cl)c1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000574212851 377634873 /nfs/dbraw/zinc/63/48/73/377634873.db2.gz FYTDBXODZPIEHH-NSHDSACASA-N -1 1 299.823 3.041 20 0 CGADMM O=C([O-])c1ccc(CN2Cc3ccccc3C3(CC3)C2)s1 ZINC000575130941 377751857 /nfs/dbraw/zinc/75/18/57/377751857.db2.gz NFTGIYQAKLJYRB-UHFFFAOYSA-N -1 1 299.395 3.494 20 0 CGADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2cccc(F)c2)s1 ZINC000263389202 377930971 /nfs/dbraw/zinc/93/09/71/377930971.db2.gz DTOHYRFJZYUJON-SNVBAGLBSA-N -1 1 293.363 3.459 20 0 CGADMM C[C@@H](c1ccco1)[N@@H+](C)CCC(C)(C)CC(=O)[O-] ZINC000575413097 377905789 /nfs/dbraw/zinc/90/57/89/377905789.db2.gz XFCKXCDWBJMKTE-NSHDSACASA-N -1 1 253.342 3.163 20 0 CGADMM C[C@H]1SCCN(Cc2cc(C(=O)[O-])ccc2Cl)[C@@H]1C ZINC000565103128 322059991 /nfs/dbraw/zinc/05/99/91/322059991.db2.gz JVKBVNIUAYAZPL-NXEZZACHSA-N -1 1 299.823 3.364 20 0 CGADMM CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000343604924 378036954 /nfs/dbraw/zinc/03/69/54/378036954.db2.gz OGEWCTAMNAKCKM-WBMJQRKESA-N -1 1 285.347 3.157 20 0 CGADMM O=C(NCCCc1cccs1)c1c(F)ccc([O-])c1F ZINC000583591682 378333885 /nfs/dbraw/zinc/33/38/85/378333885.db2.gz BLDPXACQUAXFCZ-UHFFFAOYSA-N -1 1 297.326 3.095 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3C3CCC3)n2)cc1F ZINC000583938298 378359762 /nfs/dbraw/zinc/35/97/62/378359762.db2.gz SCEDCTGNLBCLOQ-WDEREUQCSA-N -1 1 274.295 3.485 20 0 CGADMM Cc1ccc(O)c(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)n1 ZINC000271043234 378435439 /nfs/dbraw/zinc/43/54/39/378435439.db2.gz OLHBTJYFVILEOY-UHFFFAOYSA-N -1 1 293.370 3.135 20 0 CGADMM CC(=O)c1ccc(-c2nc3ccccc3c(=O)[n-]2)c(F)c1 ZINC000346157627 378485064 /nfs/dbraw/zinc/48/50/64/378485064.db2.gz CCTQRTMXCVNDOS-UHFFFAOYSA-N -1 1 282.274 3.344 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC2(C1)CCCCC2 ZINC000272753131 378699425 /nfs/dbraw/zinc/69/94/25/378699425.db2.gz OPZICPHCPUXGCD-UHFFFAOYSA-N -1 1 279.767 3.452 20 0 CGADMM CCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCOCC1 ZINC000272723140 378695188 /nfs/dbraw/zinc/69/51/88/378695188.db2.gz HYDMRVUXLWQLJF-UHFFFAOYSA-N -1 1 283.755 3.191 20 0 CGADMM C[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C[C@@H](C)C1 ZINC000349101249 379159510 /nfs/dbraw/zinc/15/95/10/379159510.db2.gz WTFJSLMFNLKEHY-ZJUUUORDSA-N -1 1 283.318 3.179 20 0 CGADMM CSC[C@@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000277866678 379253685 /nfs/dbraw/zinc/25/36/85/379253685.db2.gz BKAAEXJQQBAZCE-SSDOTTSWSA-N -1 1 268.313 3.048 20 0 CGADMM COCCC[C@@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000277901299 379260839 /nfs/dbraw/zinc/26/08/39/379260839.db2.gz DOAXHPUQAJTTNQ-SECBINFHSA-N -1 1 280.299 3.111 20 0 CGADMM [O-]c1ccc(-c2noc(COCC3CC3)n2)c(Cl)c1 ZINC000278100607 379293107 /nfs/dbraw/zinc/29/31/07/379293107.db2.gz IAVNYTHRYYZRMJ-UHFFFAOYSA-N -1 1 280.711 3.022 20 0 CGADMM C[C@H]1CC(=O)CC[C@@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000278212876 379319679 /nfs/dbraw/zinc/31/96/79/379319679.db2.gz QIVJAKLNEGBIHW-KWQFWETISA-N -1 1 290.294 3.054 20 0 CGADMM C[C@H]1CC[C@@H](CCc2nc(-c3ccc([O-])cc3F)no2)O1 ZINC000278212861 379319763 /nfs/dbraw/zinc/31/97/63/379319763.db2.gz QIRYRRMOHIXKQO-ONGXEEELSA-N -1 1 292.310 3.081 20 0 CGADMM CS[C@H](C)Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278227898 379322376 /nfs/dbraw/zinc/32/23/76/379322376.db2.gz RJTXDBFHYLHHTG-SSDOTTSWSA-N -1 1 284.768 3.390 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2cncc([O-])c2)c2ccccc21 ZINC000279488507 379445111 /nfs/dbraw/zinc/44/51/11/379445111.db2.gz PAXUXNZPJYZMTJ-GFCCVEGCSA-N -1 1 282.343 3.331 20 0 CGADMM COCc1noc(-c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000350577208 379565080 /nfs/dbraw/zinc/56/50/80/379565080.db2.gz URSZATUGEQUSLA-UHFFFAOYSA-N -1 1 298.298 3.381 20 0 CGADMM C[C@@H]1COCC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350585540 379566958 /nfs/dbraw/zinc/56/69/58/379566958.db2.gz UBMIMLYGORAWPW-SCZZXKLOSA-N -1 1 294.738 3.236 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CCC[C@@H](O)C3)n2)c(Cl)c1 ZINC000350605676 379573998 /nfs/dbraw/zinc/57/39/98/379573998.db2.gz HAJAKPJMQDEWAA-DTWKUNHWSA-N -1 1 294.738 3.114 20 0 CGADMM O=C(Nc1nc(C2CCC2)cs1)c1cc(C(F)F)n[nH]1 ZINC000640207831 379745601 /nfs/dbraw/zinc/74/56/01/379745601.db2.gz LOZOPLFSFSYBPM-UHFFFAOYSA-N -1 1 298.318 3.324 20 0 CGADMM CC1(F)CCN(C(=O)N=c2[n-]sc3ccccc32)CC1 ZINC000640343491 379770506 /nfs/dbraw/zinc/77/05/06/379770506.db2.gz RCCAWEANWUVIAQ-UHFFFAOYSA-N -1 1 293.367 3.074 20 0 CGADMM C[C@@H](N(C)C(=O)N=c1[n-]sc2ccccc21)C1(C)CC1 ZINC000640341939 379770632 /nfs/dbraw/zinc/77/06/32/379770632.db2.gz KSBPATLAUGIERR-SNVBAGLBSA-N -1 1 289.404 3.371 20 0 CGADMM O=C(N[C@@H]1CCCc2occc21)c1c(F)ccc([O-])c1F ZINC000280742057 379777126 /nfs/dbraw/zinc/77/71/26/379777126.db2.gz JSVPXBLVOCMJBL-SNVBAGLBSA-N -1 1 293.269 3.071 20 0 CGADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000402702210 379971952 /nfs/dbraw/zinc/97/19/52/379971952.db2.gz DPQHZNKUZVJDPJ-NSHDSACASA-N -1 1 279.767 3.474 20 0 CGADMM CN(CC1CC1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000282598823 379951940 /nfs/dbraw/zinc/95/19/40/379951940.db2.gz YSSIXJCHFCFBTD-UHFFFAOYSA-N -1 1 290.750 3.076 20 0 CGADMM Cc1ccc(SCC(=O)c2ccc([O-])cc2)nc1 ZINC000643098428 380212542 /nfs/dbraw/zinc/21/25/42/380212542.db2.gz ZQCGRNKPZYJXGG-UHFFFAOYSA-N -1 1 259.330 3.071 20 0 CGADMM CC(C)C[C@H](N)c1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000414628443 380345663 /nfs/dbraw/zinc/34/56/63/380345663.db2.gz SDQPJABVLISDQL-JTQLQIEISA-N -1 1 281.743 3.142 20 0 CGADMM C[C@H]1CCCC[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000644689215 380485200 /nfs/dbraw/zinc/48/52/00/380485200.db2.gz UBLSLLCSLHNILB-VHSXEESVSA-N -1 1 251.301 3.296 20 0 CGADMM CCC[C@@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000354741164 380546690 /nfs/dbraw/zinc/54/66/90/380546690.db2.gz NOYFQXAGQDFLBH-SNVBAGLBSA-N -1 1 273.336 3.157 20 0 CGADMM Cc1ccc(-c2ccc(CN[C@@H](C(=O)[O-])C3CC3)o2)cc1 ZINC000417608068 380648770 /nfs/dbraw/zinc/64/87/70/380648770.db2.gz NRQUMIYSOZRDNH-MRXNPFEDSA-N -1 1 285.343 3.208 20 0 CGADMM CC(C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)C1CC1 ZINC000357331882 381109676 /nfs/dbraw/zinc/10/96/76/381109676.db2.gz ALTXATQWBRYFBF-UHFFFAOYSA-N -1 1 289.784 3.031 20 0 CGADMM CCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000360002198 381404370 /nfs/dbraw/zinc/40/43/70/381404370.db2.gz AGUKWJWPEVELMW-YPMHNXCESA-N -1 1 285.347 3.157 20 0 CGADMM CC[C@H]1CN([C@@H](C)c2cc(C(=O)[O-])c(C)o2)CCS1 ZINC000572774125 322353928 /nfs/dbraw/zinc/35/39/28/322353928.db2.gz URWJOTDXYHOYAG-ONGXEEELSA-N -1 1 283.393 3.175 20 0 CGADMM CCCCc1oc2ccccc2c1CN=c1[n-]nc(C)n1C ZINC000361447238 381751312 /nfs/dbraw/zinc/75/13/12/381751312.db2.gz IVZQMNDWZCVEIE-UHFFFAOYSA-N -1 1 298.390 3.246 20 0 CGADMM CC[C@@H](NCc1ccc(-c2cccc(F)c2C)o1)C(=O)[O-] ZINC000362347170 381951248 /nfs/dbraw/zinc/95/12/48/381951248.db2.gz RTSJAJNQPHTWJM-CQSZACIVSA-N -1 1 291.322 3.347 20 0 CGADMM CCCC1(CNC(=O)c2c(F)ccc([O-])c2F)CCC1 ZINC000280956162 195045517 /nfs/dbraw/zinc/04/55/17/195045517.db2.gz JDTBHDWYFLKDJG-UHFFFAOYSA-N -1 1 283.318 3.371 20 0 CGADMM COc1cc(C(=O)N2CC(C)(C)C[C@@H]2C)cc(Cl)c1[O-] ZINC000335263805 208056568 /nfs/dbraw/zinc/05/65/68/208056568.db2.gz WEDPHMRBFXFXLO-VIFPVBQESA-N -1 1 297.782 3.315 20 0 CGADMM CC(C)[C@H]1C[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289124493 197240851 /nfs/dbraw/zinc/24/08/51/197240851.db2.gz QQFYGZBAHNBKED-NXEZZACHSA-N -1 1 262.284 3.341 20 0 CGADMM O=C([O-])CCC1CCN(Cc2ccsc2Cl)CC1 ZINC000308351403 542422656 /nfs/dbraw/zinc/42/26/56/542422656.db2.gz RAMQEKVTJRJMIS-UHFFFAOYSA-N -1 1 287.812 3.478 20 0 CGADMM C[C@@H](OCC1CC1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350832427 542536125 /nfs/dbraw/zinc/53/61/25/542536125.db2.gz HOSGAFPZCJUVPD-MRVPVSSYSA-N -1 1 278.283 3.069 20 0 CGADMM O=C(COc1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000067738913 392159479 /nfs/dbraw/zinc/15/94/79/392159479.db2.gz MUAPHODIYRWADG-UHFFFAOYSA-N -1 1 277.707 3.063 20 0 CGADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c1 ZINC000070332889 392181046 /nfs/dbraw/zinc/18/10/46/392181046.db2.gz WASWYNOBSRKMLF-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM COc1cc(C(=O)N2CCC[C@@H](C)CC2)cc(Cl)c1[O-] ZINC000153689716 392526307 /nfs/dbraw/zinc/52/63/07/392526307.db2.gz XJUKBFYLNMPTGQ-SNVBAGLBSA-N -1 1 297.782 3.316 20 0 CGADMM CO[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000374711626 392694108 /nfs/dbraw/zinc/69/41/08/392694108.db2.gz AVHPZNGXAPALAJ-OAHLLOKOSA-N -1 1 299.370 3.187 20 0 CGADMM CC1(C)CCC[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000647519097 392749671 /nfs/dbraw/zinc/74/96/71/392749671.db2.gz ZVKAHRQZQDBJEA-LLVKDONJSA-N -1 1 265.328 3.087 20 0 CGADMM CCC1CCC(N(Cc2nc(C(=O)[O-])co2)C2CC2)CC1 ZINC000519759046 392892092 /nfs/dbraw/zinc/89/20/92/392892092.db2.gz LIPSVWHFUGUUMP-UHFFFAOYSA-N -1 1 292.379 3.306 20 0 CGADMM O=C([O-])c1cccc(CN2CC=C(C(F)(F)F)CC2)c1 ZINC000263356525 393150311 /nfs/dbraw/zinc/15/03/11/393150311.db2.gz RWHJAUDSHZFANE-UHFFFAOYSA-N -1 1 285.265 3.079 20 0 CGADMM CCCN(Cc1ccc(C)cc1)C(=O)c1ncccc1[O-] ZINC000547971607 393162057 /nfs/dbraw/zinc/16/20/57/393162057.db2.gz XEFVPEWZTIBAJD-UHFFFAOYSA-N -1 1 284.359 3.148 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000646413009 393280233 /nfs/dbraw/zinc/28/02/33/393280233.db2.gz NISMGURJMQPXMT-UHFFFAOYSA-N -1 1 299.286 3.061 20 0 CGADMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1ccc([O-])c(F)c1 ZINC000647070090 393335812 /nfs/dbraw/zinc/33/58/12/393335812.db2.gz HJDXZFKGVLOBSL-HNNXBMFYSA-N -1 1 299.345 3.455 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCC[C@@H]2CCOC2)n1 ZINC000647114370 393339712 /nfs/dbraw/zinc/33/97/12/393339712.db2.gz OTWFMVAIUJHYTG-LLVKDONJSA-N -1 1 282.409 3.044 20 0 CGADMM C[C@@H](CC(C)(C)C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000356325496 393420391 /nfs/dbraw/zinc/42/03/91/393420391.db2.gz TWQDHAGTETYASR-VIFPVBQESA-N -1 1 276.340 3.076 20 0 CGADMM C[C@H](c1nc(-c2ccc([O-])cc2F)no1)C1CCC1 ZINC000420492093 393489614 /nfs/dbraw/zinc/48/96/14/393489614.db2.gz ILGZAIIBHDSIAY-QMMMGPOBSA-N -1 1 262.284 3.485 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C\C2CC2)c1 ZINC000492380620 393726001 /nfs/dbraw/zinc/72/60/01/393726001.db2.gz PUWAKJVBFHXAIV-PLNGDYQASA-N -1 1 296.164 3.368 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cccc(F)c3)n2)c(F)c1 ZINC000445457333 393796216 /nfs/dbraw/zinc/79/62/16/393796216.db2.gz YEFFTHLVCOLBAH-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1O ZINC000445459542 393796468 /nfs/dbraw/zinc/79/64/68/393796468.db2.gz CPDGPIIIQJYWOL-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM CCC(CC)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445455651 393796701 /nfs/dbraw/zinc/79/67/01/393796701.db2.gz QCFWPRLASSYBPI-UHFFFAOYSA-N -1 1 250.273 3.485 20 0 CGADMM CC(=O)c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445461341 393796716 /nfs/dbraw/zinc/79/67/16/393796716.db2.gz GIFMDAFKWPMSPD-UHFFFAOYSA-N -1 1 298.273 3.451 20 0 CGADMM Cn1cc(Cl)cc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445481833 393798899 /nfs/dbraw/zinc/79/88/99/393798899.db2.gz QNSZSYIRZMJDKR-UHFFFAOYSA-N -1 1 293.685 3.240 20 0 CGADMM O=C(NCCC1CC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000457218035 394331022 /nfs/dbraw/zinc/33/10/22/394331022.db2.gz SFBJZHSEYWPIPF-UHFFFAOYSA-N -1 1 289.709 3.211 20 0 CGADMM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccccc2)o1 ZINC000650808151 397928279 /nfs/dbraw/zinc/92/82/79/397928279.db2.gz RWFHXPPYRHBLNP-AWEZNQCLSA-N -1 1 273.332 3.242 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc(F)c(F)c1F ZINC000675414157 543337599 /nfs/dbraw/zinc/33/75/99/543337599.db2.gz GTAXBVMVYLREQH-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC(CC(F)(F)F)C1 ZINC000675415595 543338043 /nfs/dbraw/zinc/33/80/43/543338043.db2.gz SFLCHUXRRGJUSK-UHFFFAOYSA-N -1 1 293.672 3.070 20 0 CGADMM CCc1oc(C(=O)Nc2c([O-])cccc2F)cc1C ZINC000675523818 543345634 /nfs/dbraw/zinc/34/56/34/543345634.db2.gz RAQGEYOOPANODO-UHFFFAOYSA-N -1 1 263.268 3.247 20 0 CGADMM FC(F)(F)c1nc(=NCCCc2cccs2)s[n-]1 ZINC000553469938 289226163 /nfs/dbraw/zinc/22/61/63/289226163.db2.gz YGCYZUYFVIFYOP-UHFFFAOYSA-N -1 1 293.339 3.085 20 0 CGADMM O=C(CNc1cccc(Cl)c1)Nc1c([O-])cccc1F ZINC000678374504 543519023 /nfs/dbraw/zinc/51/90/23/543519023.db2.gz NZOGUJNMUVBNTF-UHFFFAOYSA-N -1 1 294.713 3.235 20 0 CGADMM CN(Cc1ccoc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000048482255 286906492 /nfs/dbraw/zinc/90/64/92/286906492.db2.gz JCYZDCMQAIKWOO-UHFFFAOYSA-N -1 1 281.311 3.411 20 0 CGADMM CN(Cc1ccncc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000078395159 287048658 /nfs/dbraw/zinc/04/86/58/287048658.db2.gz LJZTXASMOVIABO-UHFFFAOYSA-N -1 1 292.338 3.213 20 0 CGADMM O=C(Nc1ccc(Cl)c(Cl)c1)c1cncc([O-])c1 ZINC000082337407 165171737 /nfs/dbraw/zinc/17/17/37/165171737.db2.gz UFAYXRKFXDDJGB-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM O=S(=O)([N-]c1cccc2ccncc21)c1ccccc1 ZINC000094983010 287123787 /nfs/dbraw/zinc/12/37/87/287123787.db2.gz AQNRFLHFTGFWJB-UHFFFAOYSA-N -1 1 284.340 3.036 20 0 CGADMM COc1ccc(-c2nc(-c3cccc(F)c3)no2)c([O-])c1 ZINC000109037321 287127506 /nfs/dbraw/zinc/12/75/06/287127506.db2.gz DEFVKDFVYJETLR-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc2[nH]nnc2c1 ZINC000110729232 287131739 /nfs/dbraw/zinc/13/17/39/287131739.db2.gz PJKYNPWLOFMGHA-AAEUAGOBSA-N -1 1 286.379 3.047 20 0 CGADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000119330002 287168199 /nfs/dbraw/zinc/16/81/99/287168199.db2.gz KZJHVTNWNWKJQW-GHMZBOCLSA-N -1 1 265.328 3.040 20 0 CGADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1c([O-])cccc1F ZINC000120681631 287185381 /nfs/dbraw/zinc/18/53/81/287185381.db2.gz OYHRCKOVYDNICI-CYBMUJFWSA-N -1 1 289.281 3.088 20 0 CGADMM COCCCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000121820350 287203887 /nfs/dbraw/zinc/20/38/87/287203887.db2.gz RCNGSVHPXPSKHO-UHFFFAOYSA-N -1 1 287.359 3.092 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1c([O-])cccc1F ZINC000124034332 287228590 /nfs/dbraw/zinc/22/85/90/287228590.db2.gz HDOPUFIMMRZTGG-STQMWFEESA-N -1 1 285.318 3.065 20 0 CGADMM O=C([O-])[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000008699118 170346212 /nfs/dbraw/zinc/34/62/12/170346212.db2.gz HNFZZWDLBBNCMH-GFCCVEGCSA-N -1 1 288.174 3.433 20 0 CGADMM Cc1ccc([C@H]2CCCCN2C(=O)c2cncc([O-])c2)cc1 ZINC000127259258 287284072 /nfs/dbraw/zinc/28/40/72/287284072.db2.gz IXKORLLQSCDGPR-QGZVFWFLSA-N -1 1 296.370 3.463 20 0 CGADMM CC(C)(C)c1nc(CN2CCCC[C@H]2CC(=O)[O-])cs1 ZINC000038027343 174013040 /nfs/dbraw/zinc/01/30/40/174013040.db2.gz NRKKBFQMTYHOEA-LBPRGKRZSA-N -1 1 296.436 3.270 20 0 CGADMM Cc1cccc([C@H](NCc2cccs2)C(=O)[O-])c1C ZINC000043315753 175004727 /nfs/dbraw/zinc/00/47/27/175004727.db2.gz AULBGWCJPYMZSR-AWEZNQCLSA-N -1 1 275.373 3.280 20 0 CGADMM CC(C)CN(CC(C)C)C(=O)c1cc(F)ccc1[O-] ZINC000128618590 287314682 /nfs/dbraw/zinc/31/46/82/287314682.db2.gz PVTBALWUSKABFA-UHFFFAOYSA-N -1 1 267.344 3.286 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1ccccc1C ZINC000051361518 416478730 /nfs/dbraw/zinc/47/87/30/416478730.db2.gz LZALERJYTZPULL-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM CC(C)O[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000404511771 416554164 /nfs/dbraw/zinc/55/41/64/416554164.db2.gz DFTLUURFJUZHAC-LBPRGKRZSA-N -1 1 297.782 3.075 20 0 CGADMM CC(C)[C@@H]1C[C@H](CC(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679812087 543661715 /nfs/dbraw/zinc/66/17/15/543661715.db2.gz IXFKSMYITYGESO-RISCZKNCSA-N -1 1 295.354 3.311 20 0 CGADMM CCOc1nc(C(=O)[N-]c2ccccc2SC)co1 ZINC000680357016 543703558 /nfs/dbraw/zinc/70/35/58/543703558.db2.gz NHNJGARGEHMOHJ-UHFFFAOYSA-N -1 1 278.333 3.048 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000681015022 543756872 /nfs/dbraw/zinc/75/68/72/543756872.db2.gz WTDODJBCLPYYFG-OAHLLOKOSA-N -1 1 299.345 3.379 20 0 CGADMM CC(C)[C@@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681046916 543760251 /nfs/dbraw/zinc/76/02/51/543760251.db2.gz GMMBBMZCVZKOIK-ZDUSSCGKSA-N -1 1 265.328 3.182 20 0 CGADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc([O-])c(F)c1 ZINC000681051100 543761459 /nfs/dbraw/zinc/76/14/59/543761459.db2.gz SDBYIXOAMBRZIF-GMXVVIOVSA-N -1 1 277.339 3.230 20 0 CGADMM CCC(CC)[C@H](CCNC(=O)c1ccc([O-])c(F)c1)OC ZINC000681059192 543762171 /nfs/dbraw/zinc/76/21/71/543762171.db2.gz XCTDRETTZWFKMB-HNNXBMFYSA-N -1 1 297.370 3.102 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1coc(C2CC2)n1 ZINC000681637139 543798419 /nfs/dbraw/zinc/79/84/19/543798419.db2.gz KTVVKSNMNPOYSY-UHFFFAOYSA-N -1 1 278.695 3.163 20 0 CGADMM Cc1cnc(C(=O)N(C2CC2)C2CCCCC2)c([O-])c1 ZINC000681716660 543804288 /nfs/dbraw/zinc/80/42/88/543804288.db2.gz VDWODWHLZAYBQV-UHFFFAOYSA-N -1 1 274.364 3.033 20 0 CGADMM COc1ccncc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000131383295 287378063 /nfs/dbraw/zinc/37/80/63/287378063.db2.gz IPCKFTLEPUXTAJ-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM O=C(N[C@H]1CCCc2sccc21)c1c([O-])cccc1F ZINC000132070591 287395931 /nfs/dbraw/zinc/39/59/31/287395931.db2.gz GTFWFHAQUNZQMX-NSHDSACASA-N -1 1 291.347 3.400 20 0 CGADMM O=C(Nc1ncc(Cl)s1)c1c(F)ccc([O-])c1F ZINC000685439240 544070352 /nfs/dbraw/zinc/07/03/52/544070352.db2.gz YTGLNCRPALJWPM-UHFFFAOYSA-N -1 1 290.678 3.033 20 0 CGADMM Cc1ncc(Cl)c(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000135904530 287476793 /nfs/dbraw/zinc/47/67/93/287476793.db2.gz KCISADORQWAKOU-UHFFFAOYSA-N -1 1 298.129 3.050 20 0 CGADMM CCCCc1nc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)cs1 ZINC000652496974 418976602 /nfs/dbraw/zinc/97/66/02/418976602.db2.gz HRUWVQMRTIGUSS-YPMHNXCESA-N -1 1 296.436 3.028 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccsc2)o1 ZINC000652389792 418959571 /nfs/dbraw/zinc/95/95/71/418959571.db2.gz GUQXPIYHFQCCIL-LBPRGKRZSA-N -1 1 277.345 3.376 20 0 CGADMM CCO[C@@H]1CCCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000652394798 418961590 /nfs/dbraw/zinc/96/15/90/418961590.db2.gz HDOWNQNODAGNLT-LLVKDONJSA-N -1 1 297.782 3.039 20 0 CGADMM CCO[C@H]1CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000652395042 418961754 /nfs/dbraw/zinc/96/17/54/418961754.db2.gz XUYFFFLOMXHZTC-LBPRGKRZSA-N -1 1 297.782 3.039 20 0 CGADMM C[C@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])C[C@H](C)S1 ZINC000652403041 418962585 /nfs/dbraw/zinc/96/25/85/418962585.db2.gz VXALEDIUTXZHDU-UWVGGRQHSA-N -1 1 299.823 3.364 20 0 CGADMM COC1(c2noc(-c3cc(SC)ccc3[O-])n2)CCC1 ZINC000664821717 419009383 /nfs/dbraw/zinc/00/93/83/419009383.db2.gz ZFODVGOZVFVRII-UHFFFAOYSA-N -1 1 292.360 3.190 20 0 CGADMM Cc1ccc(C(=O)CSc2ncc(C)c(=O)[n-]2)c(C)c1 ZINC000394205229 260124036 /nfs/dbraw/zinc/12/40/36/260124036.db2.gz CHOJWVWXFVQLBK-UHFFFAOYSA-N -1 1 288.372 3.082 20 0 CGADMM C[C@H]1CCCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000186460023 262315241 /nfs/dbraw/zinc/31/52/41/262315241.db2.gz FDNCVCNHTHRQCE-JTQLQIEISA-N -1 1 267.756 3.308 20 0 CGADMM CC[C@H](C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182901630 270054475 /nfs/dbraw/zinc/05/44/75/270054475.db2.gz DAFFNBVEATYZNK-QMMMGPOBSA-N -1 1 286.169 3.448 20 0 CGADMM COc1ccc([C@H](C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000228842153 270087846 /nfs/dbraw/zinc/08/78/46/270087846.db2.gz RBKJLIHGBXMNLP-JTQLQIEISA-N -1 1 289.306 3.031 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1CCC1CCCC1 ZINC000531757864 270209510 /nfs/dbraw/zinc/20/95/10/270209510.db2.gz OSJCQVZWPLIINU-OAHLLOKOSA-N -1 1 288.391 3.362 20 0 CGADMM Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1O ZINC000235982851 287650847 /nfs/dbraw/zinc/65/08/47/287650847.db2.gz YGMOCQDOJUTGAN-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM C[C@H]1C[C@H](NC(=O)c2ccc3ccccc3c2[O-])CS1 ZINC000397982871 288037118 /nfs/dbraw/zinc/03/71/18/288037118.db2.gz SDTUQMWNEYWNNY-JQWIXIFHSA-N -1 1 287.384 3.169 20 0 CGADMM O=C(NCCC[C@H]1CCOC1)c1ccc2ccccc2c1[O-] ZINC000401407185 288055922 /nfs/dbraw/zinc/05/59/22/288055922.db2.gz QKTCVTWYHWNRKS-ZDUSSCGKSA-N -1 1 299.370 3.092 20 0 CGADMM COc1cc(C(=O)N[C@@H]2CCC(C)(C)C2)cc(Cl)c1[O-] ZINC000443134191 288070323 /nfs/dbraw/zinc/07/03/23/288070323.db2.gz SZVHVAOEZKCQEY-SNVBAGLBSA-N -1 1 297.782 3.363 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1c[nH]c(=O)c2ccccc12 ZINC000526058862 288148297 /nfs/dbraw/zinc/14/82/97/288148297.db2.gz BDSUSICPIQSEIS-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2ccc([O-])cc2F)CC12CCC2 ZINC000293617328 280469936 /nfs/dbraw/zinc/46/99/36/280469936.db2.gz BWEDOHLNVSHHHW-CQSZACIVSA-N -1 1 277.339 3.182 20 0 CGADMM CCC[C@@H]1C[C@@H](C(=O)Nc2cccc(F)c2[O-])CCO1 ZINC000530006857 288282046 /nfs/dbraw/zinc/28/20/46/288282046.db2.gz WBWIGQVJKJJVMC-WDEREUQCSA-N -1 1 281.327 3.065 20 0 CGADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(F)c1[O-] ZINC000530006298 288282189 /nfs/dbraw/zinc/28/21/89/288282189.db2.gz ONFCTEAEQKEVHM-GXFFZTMASA-N -1 1 281.327 3.065 20 0 CGADMM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2cccc(F)c2[O-])C1(C)C ZINC000530007202 288282520 /nfs/dbraw/zinc/28/25/20/288282520.db2.gz ZZBWIVLTTDRMQM-ZJUUUORDSA-N -1 1 293.338 3.111 20 0 CGADMM CC[C@H]1CCC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335214683 281088671 /nfs/dbraw/zinc/08/86/71/281088671.db2.gz HAJWTONLUDIVLY-DTWKUNHWSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@@H]1CC(F)(F)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000530174108 288293168 /nfs/dbraw/zinc/29/31/68/288293168.db2.gz UPJHHQRNUHSYJS-MRVPVSSYSA-N -1 1 275.320 3.066 20 0 CGADMM CCOc1cc(C(=O)N2CCC2(C)C)cc(Cl)c1[O-] ZINC000545146503 288877953 /nfs/dbraw/zinc/87/79/53/288877953.db2.gz ISTWWPOQFPZUEV-UHFFFAOYSA-N -1 1 283.755 3.069 20 0 CGADMM Cc1ccnc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000278883393 292759097 /nfs/dbraw/zinc/75/90/97/292759097.db2.gz WPVKPRCBZBRYNW-UHFFFAOYSA-N -1 1 298.371 3.041 20 0 CGADMM CC(C)C[C@H]1CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000154950644 321753762 /nfs/dbraw/zinc/75/37/62/321753762.db2.gz YDTWHXDAIZVZNX-LLVKDONJSA-N -1 1 265.328 3.040 20 0 CGADMM COCc1ccc([C@@H]2CCC[N@H+]2CCCCCC(=O)[O-])o1 ZINC000565107639 322060825 /nfs/dbraw/zinc/06/08/25/322060825.db2.gz RDLAAOUQUABUHX-AWEZNQCLSA-N -1 1 295.379 3.208 20 0 CGADMM Cc1cnc(SCC(=O)C2CCCCCC2)[n-]c1=O ZINC000565241677 322069271 /nfs/dbraw/zinc/06/92/71/322069271.db2.gz WDQTUHXKQKLYPD-UHFFFAOYSA-N -1 1 280.393 3.122 20 0 CGADMM O=C([O-])c1ccc(Br)cc1CN1CCCCC1 ZINC000565898585 322095904 /nfs/dbraw/zinc/09/59/04/322095904.db2.gz KSDUGVVDCIFTSP-UHFFFAOYSA-N -1 1 298.180 3.133 20 0 CGADMM Cc1cnc(SCCO[C@@H]2CCCC[C@H]2C)[n-]c1=O ZINC000567754245 322176324 /nfs/dbraw/zinc/17/63/24/322176324.db2.gz VPESOCXCRMOFPG-ZYHUDNBSSA-N -1 1 282.409 3.178 20 0 CGADMM Cc1cnc(SC[C@H]2CCc3ccccc3C2)[n-]c1=O ZINC000568272588 322202399 /nfs/dbraw/zinc/20/23/99/322202399.db2.gz YTCAWOLFCVSTIT-LBPRGKRZSA-N -1 1 286.400 3.388 20 0 CGADMM C[C@@H](CN(Cc1csc(C(C)(C)C)n1)C1CC1)C(=O)[O-] ZINC000568759329 322221130 /nfs/dbraw/zinc/22/11/30/322221130.db2.gz WKZLXNWUXHXFKO-JTQLQIEISA-N -1 1 296.436 3.126 20 0 CGADMM CN(CCCCCC(=O)[O-])Cc1nc2ccccc2s1 ZINC000571054212 322288630 /nfs/dbraw/zinc/28/86/30/322288630.db2.gz RPPSKBKFWXOLTE-UHFFFAOYSA-N -1 1 292.404 3.373 20 0 CGADMM CCc1nc(C)c(CSc2nc(C3CC3)cc(=O)[n-]2)o1 ZINC000580397447 328931516 /nfs/dbraw/zinc/93/15/16/328931516.db2.gz VBFSYYSQOHMLIL-UHFFFAOYSA-N -1 1 291.376 3.211 20 0 CGADMM CC(C)C1(NC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000379709661 330890540 /nfs/dbraw/zinc/89/05/40/330890540.db2.gz AQFSYCXNRSNOLC-UHFFFAOYSA-N -1 1 269.344 3.464 20 0 CGADMM CCc1nc(S[C@@H](C)c2cccnc2)[n-]c(=O)c1C ZINC000577192708 335320300 /nfs/dbraw/zinc/32/03/00/335320300.db2.gz RZIVXDFBPLECLB-JTQLQIEISA-N -1 1 275.377 3.301 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(C2CC2)on1 ZINC000179013048 335470138 /nfs/dbraw/zinc/47/01/38/335470138.db2.gz OMTAYTIZMVWAJX-UHFFFAOYSA-N -1 1 278.695 3.163 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cccnc3)n2)c(Cl)c1 ZINC000350815554 335536418 /nfs/dbraw/zinc/53/64/18/335536418.db2.gz MZENZNYCRLEXNR-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H]2CCC(C)(C)C2)n1 ZINC000579590228 335815168 /nfs/dbraw/zinc/81/51/68/335815168.db2.gz RKILFGGNCILPIY-JTQLQIEISA-N -1 1 252.383 3.415 20 0 CGADMM CC1(C)CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000061804096 520373900 /nfs/dbraw/zinc/37/39/00/520373900.db2.gz WAUUPGURDBKEDZ-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccncc1F ZINC000436685582 533744938 /nfs/dbraw/zinc/74/49/38/533744938.db2.gz BIUGAEGSSZILIL-QMMMGPOBSA-N -1 1 294.713 3.071 20 0 CGADMM Cc1ccc(CCC(=O)Nc2ccc(F)cc2[O-])s1 ZINC000355004528 533776639 /nfs/dbraw/zinc/77/66/39/533776639.db2.gz DXKJJVCIPOAIEQ-UHFFFAOYSA-N -1 1 279.336 3.473 20 0 CGADMM CS[C@@H](CNC(=O)c1cc(F)ccc1[O-])C(C)(C)C ZINC000436826489 533926563 /nfs/dbraw/zinc/92/65/63/533926563.db2.gz ADUBWAPOSLVHMZ-LBPRGKRZSA-N -1 1 285.384 3.039 20 0 CGADMM Cc1cc2cc(NC(=O)C(=O)c3ccc([O-])cc3)ccc2[nH]1 ZINC000436858721 534096134 /nfs/dbraw/zinc/09/61/34/534096134.db2.gz HDGVLPQOEHWMAU-UHFFFAOYSA-N -1 1 294.310 3.003 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)cc2C)c1 ZINC000436509776 534231799 /nfs/dbraw/zinc/23/17/99/534231799.db2.gz SKWLZAXLJXZNOJ-UHFFFAOYSA-N -1 1 299.326 3.048 20 0 CGADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1c([O-])cccc1F ZINC000436943980 534415260 /nfs/dbraw/zinc/41/52/60/534415260.db2.gz LBJIUNAZKOHCAD-AWEZNQCLSA-N -1 1 285.318 3.257 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ncsc3Cl)no2)c(F)c1 ZINC000436660978 534448438 /nfs/dbraw/zinc/44/84/38/534448438.db2.gz DMQAJJDBJZQLCJ-UHFFFAOYSA-N -1 1 297.698 3.358 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc4cc[nH]c4n3)no2)c(F)c1 ZINC000445580016 534448876 /nfs/dbraw/zinc/44/88/76/534448876.db2.gz ODZIHKNUCVOBOB-UHFFFAOYSA-N -1 1 296.261 3.125 20 0 CGADMM O=C(Nc1nc(C2CC2)c[nH]1)c1ccc2ccccc2c1[O-] ZINC000436706814 534472646 /nfs/dbraw/zinc/47/26/46/534472646.db2.gz DHTKPOOTVSTZBX-UHFFFAOYSA-N -1 1 293.326 3.398 20 0 CGADMM O=C(NCc1coc2ccccc12)c1c([O-])cccc1F ZINC000436941248 534697680 /nfs/dbraw/zinc/69/76/80/534697680.db2.gz PEUQGQFZYPJISW-UHFFFAOYSA-N -1 1 285.274 3.208 20 0 CGADMM Cn1ccc2cccc(NC(=O)c3cc(F)ccc3[O-])c21 ZINC000436891462 534775674 /nfs/dbraw/zinc/77/56/74/534775674.db2.gz GCINBNQHHBPGFU-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM O=C(NC1(c2cccc(F)c2)CC1)c1cc(F)ccc1[O-] ZINC000436531812 534785586 /nfs/dbraw/zinc/78/55/86/534785586.db2.gz PSOCQQXRKPMWNZ-UHFFFAOYSA-N -1 1 289.281 3.090 20 0 CGADMM CCCN(Cc1ccccc1)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436764453 528142545 /nfs/dbraw/zinc/14/25/45/528142545.db2.gz LVVCPYXAJYRVNL-UHFFFAOYSA-N -1 1 297.354 3.014 20 0 CGADMM CC(C)Oc1ccccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436667205 528259229 /nfs/dbraw/zinc/25/92/29/528259229.db2.gz WVTCCDIXCBTLFT-UHFFFAOYSA-N -1 1 299.326 3.001 20 0 CGADMM CCCCN(C(=O)c1ncc(C)cc1[O-])[C@H](C)CC ZINC000426995413 528314020 /nfs/dbraw/zinc/31/40/20/528314020.db2.gz PXENOEIWZIMHNO-GFCCVEGCSA-N -1 1 264.369 3.136 20 0 CGADMM CCC(CC)C(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000358137227 528722658 /nfs/dbraw/zinc/72/26/58/528722658.db2.gz NXVNUBIDTWTKDK-UHFFFAOYSA-N -1 1 277.393 3.243 20 0 CGADMM CCN(C(=O)C(=O)c1ccc([O-])cc1)c1cc(C)cc(C)c1 ZINC000436514928 528931447 /nfs/dbraw/zinc/93/14/47/528931447.db2.gz QCXMVIPCKSAMFU-UHFFFAOYSA-N -1 1 297.354 3.245 20 0 CGADMM CC[C@@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436752911 529340397 /nfs/dbraw/zinc/34/03/97/529340397.db2.gz SLWQUTVCMGQMIV-MRVPVSSYSA-N -1 1 275.270 3.282 20 0 CGADMM CN(CC(=O)[O-])Cc1ccc2oc3ccccc3c2c1 ZINC000737403647 572339788 /nfs/dbraw/zinc/33/97/88/572339788.db2.gz BHEVWHLTEMDHCJ-UHFFFAOYSA-N -1 1 269.300 3.102 20 0 CGADMM C[C@H](c1ccc(F)c(F)c1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737719041 572368026 /nfs/dbraw/zinc/36/80/26/572368026.db2.gz BPMZVTOKWOSBDA-SNVBAGLBSA-N -1 1 298.333 3.100 20 0 CGADMM C[C@@H](c1ccc(F)c(F)c1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737719036 572368258 /nfs/dbraw/zinc/36/82/58/572368258.db2.gz BPMZVTOKWOSBDA-JTQLQIEISA-N -1 1 298.333 3.100 20 0 CGADMM O=C([O-])c1ccc(C(=O)Nc2cccc(Cl)c2O)s1 ZINC000740115333 572432827 /nfs/dbraw/zinc/43/28/27/572432827.db2.gz UIZSCQKRRRIVKJ-UHFFFAOYSA-N -1 1 297.719 3.058 20 0 CGADMM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1cncc([O-])c1 ZINC000732277522 572457380 /nfs/dbraw/zinc/45/73/80/572457380.db2.gz JNEHTXDLQRIJEU-WFASDCNBSA-N -1 1 290.407 3.370 20 0 CGADMM CC[C@H](c1ccc(F)cc1F)N1CCC(NC(=O)[O-])CC1 ZINC000739277148 572539766 /nfs/dbraw/zinc/53/97/66/572539766.db2.gz JBZCRMQVMDOWAV-CQSZACIVSA-N -1 1 298.333 3.148 20 0 CGADMM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1c([O-])cccc1F ZINC000743416177 572657828 /nfs/dbraw/zinc/65/78/28/572657828.db2.gz ORMSMZPZDGNVIZ-SNVBAGLBSA-N -1 1 291.297 3.488 20 0 CGADMM CS[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000735332032 572715388 /nfs/dbraw/zinc/71/53/88/572715388.db2.gz VTDZCMNWZSLSIL-NXEZZACHSA-N -1 1 299.823 3.450 20 0 CGADMM CC(C)(NCc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000736339392 572782647 /nfs/dbraw/zinc/78/26/47/572782647.db2.gz IJFSRJXNWCVOOG-UHFFFAOYSA-N -1 1 277.295 3.039 20 0 CGADMM CCCCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736451116 572794698 /nfs/dbraw/zinc/79/46/98/572794698.db2.gz HARRHQNTIZZMDE-UHFFFAOYSA-N -1 1 282.351 3.017 20 0 CGADMM CCCCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736451116 572794702 /nfs/dbraw/zinc/79/47/02/572794702.db2.gz HARRHQNTIZZMDE-UHFFFAOYSA-N -1 1 282.351 3.017 20 0 CGADMM Cc1ncoc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000747368081 572926701 /nfs/dbraw/zinc/92/67/01/572926701.db2.gz KBNQEFGACAUOIX-UHFFFAOYSA-N -1 1 292.364 3.135 20 0 CGADMM c1cc(CSCC2CCCCC2)cc(-c2nnn[n-]2)n1 ZINC000826516473 607537155 /nfs/dbraw/zinc/53/71/55/607537155.db2.gz MDNKHPZARQCAPR-UHFFFAOYSA-N -1 1 289.408 3.075 20 0 CGADMM c1cc(CSCC2CCCCC2)cc(-c2nn[n-]n2)n1 ZINC000826516473 607537157 /nfs/dbraw/zinc/53/71/57/607537157.db2.gz MDNKHPZARQCAPR-UHFFFAOYSA-N -1 1 289.408 3.075 20 0 CGADMM CCc1[n-]n(-c2cc(Cl)ccc2C)c(=O)c1F ZINC000899362550 620668921 /nfs/dbraw/zinc/66/89/21/620668921.db2.gz WZDMUWFWUQAQCR-LLVKDONJSA-N -1 1 254.692 3.099 20 0 CGADMM CC(C)C[C@H](N[C@@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000043432421 604407318 /nfs/dbraw/zinc/40/73/18/604407318.db2.gz FUPMCOJHXGPQDE-JQWIXIFHSA-N -1 1 292.404 3.446 20 0 CGADMM O=C([O-])c1cc(CN2CCC[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000833778562 604526751 /nfs/dbraw/zinc/52/67/51/604526751.db2.gz BQPIQUMVXPYOGQ-OAHLLOKOSA-N -1 1 288.322 3.189 20 0 CGADMM CCc1cnccc1[C@H](C)NCc1cc(C)c(C(=O)[O-])o1 ZINC000833675345 605270610 /nfs/dbraw/zinc/27/06/10/605270610.db2.gz WZTIICQATWEMGY-NSHDSACASA-N -1 1 288.347 3.094 20 0 CGADMM Cc1cc(CN2CCSC[C@H]2CC(=O)[O-])ccc1Cl ZINC000833745521 605727560 /nfs/dbraw/zinc/72/75/60/605727560.db2.gz MBSGHTPPVNIXEU-GFCCVEGCSA-N -1 1 299.823 3.041 20 0 CGADMM Cc1cc(C)cc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822196270 606411792 /nfs/dbraw/zinc/41/17/92/606411792.db2.gz BVBJBDWLSCAWHE-UHFFFAOYSA-N -1 1 285.376 3.157 20 0 CGADMM Cc1ccccc1[C@@H](C)Nc1nc(-c2nn[n-]n2)ccc1C ZINC000826306253 608543761 /nfs/dbraw/zinc/54/37/61/608543761.db2.gz UNUSJHZIZLBMNC-GFCCVEGCSA-N -1 1 294.362 3.052 20 0 CGADMM CC[C@@H](Nc1cc(Cl)[n-]c(=O)n1)[C@H]1CC1(C)C ZINC000858572362 617626222 /nfs/dbraw/zinc/62/62/22/617626222.db2.gz NJRYUBJGMRXICF-HTQZYQBOSA-N -1 1 255.749 3.072 20 0 CGADMM C[C@H](C[N-]C(=O)C(F)(F)C(F)F)c1ccc(F)cc1F ZINC000176968036 618770379 /nfs/dbraw/zinc/77/03/79/618770379.db2.gz OFHRTWQIQWPKCA-ZCFIWIBFSA-N -1 1 299.214 3.085 20 0 CGADMM O=C([O-])c1cccc(CN[C@@H]2CCCc3sccc32)n1 ZINC000236490194 618858245 /nfs/dbraw/zinc/85/82/45/618858245.db2.gz MVEZVUQJUSRSJJ-GFCCVEGCSA-N -1 1 288.372 3.009 20 0 CGADMM CCc1ccc(CNCc2cc(C)c(C(=O)[O-])o2)s1 ZINC000224701883 619264975 /nfs/dbraw/zinc/26/49/75/619264975.db2.gz VXNYLFBYFMTQDS-UHFFFAOYSA-N -1 1 279.361 3.200 20 0 CGADMM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1c([O-])cccc1Cl ZINC000049094907 619695661 /nfs/dbraw/zinc/69/56/61/619695661.db2.gz WFGAVYJOZMBMJD-DGCLKSJQSA-N -1 1 287.746 3.332 20 0 CGADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896520516 620020681 /nfs/dbraw/zinc/02/06/81/620020681.db2.gz FHMJRNDRIOTFIA-GHMZBOCLSA-N -1 1 285.343 3.122 20 0 CGADMM CCCC[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000263410008 620316950 /nfs/dbraw/zinc/31/69/50/620316950.db2.gz LCHJWOXXWPCVFA-WXHSDQCUSA-N -1 1 265.353 3.136 20 0 CGADMM O=C([O-])CC1CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000901420736 620882730 /nfs/dbraw/zinc/88/27/30/620882730.db2.gz UXQFGJOTZOQFER-UPHRSURJSA-N -1 1 295.329 3.165 20 0 CGADMM CCN(CC(=O)[O-])Cc1ccc(-c2ccc(C)cc2)o1 ZINC000901426346 620883825 /nfs/dbraw/zinc/88/38/25/620883825.db2.gz GVEQWRBTSNXIEA-UHFFFAOYSA-N -1 1 273.332 3.162 20 0 CGADMM Cc1cc(C)nc(CSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000901549872 620935126 /nfs/dbraw/zinc/93/51/26/620935126.db2.gz UGZMERSJDUFDIK-UHFFFAOYSA-N -1 1 297.330 3.424 20 0 CGADMM C[C@@H](O)CCCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901616109 620954811 /nfs/dbraw/zinc/95/48/11/620954811.db2.gz KNKURYQSLHXMAM-LLVKDONJSA-N -1 1 290.388 3.102 20 0 CGADMM C[C@@H](N[C@H](CC1CC1)C(=O)[O-])c1cc2ccccc2o1 ZINC000901788673 621027369 /nfs/dbraw/zinc/02/73/69/621027369.db2.gz DCLLUEVRDOVJBX-ZWNOBZJWSA-N -1 1 273.332 3.337 20 0 CGADMM Cc1cc([C@@H](N[C@H](C)c2ccccn2)C(=O)[O-])ccc1F ZINC000901845420 621050749 /nfs/dbraw/zinc/05/07/49/621050749.db2.gz ZJQFKMZBDDQHDF-IAQYHMDHSA-N -1 1 288.322 3.006 20 0 CGADMM Cc1cc(CNCc2ccc(C3CC3)cc2)oc1C(=O)[O-] ZINC000901941680 621071887 /nfs/dbraw/zinc/07/18/87/621071887.db2.gz AVKRDMXTLDLMAR-UHFFFAOYSA-N -1 1 285.343 3.453 20 0 CGADMM CC(C)(C)[C@@H](NCc1cc(C(=O)[O-])no1)c1ccccc1 ZINC000902123863 621162115 /nfs/dbraw/zinc/16/21/15/621162115.db2.gz QZSOCPQCRCODHT-AWEZNQCLSA-N -1 1 288.347 3.250 20 0 CGADMM CCc1ccc(CNCc2cc(C(=O)[O-])c(CC)o2)s1 ZINC000902131587 621167075 /nfs/dbraw/zinc/16/70/75/621167075.db2.gz JPHLFWAAZDSJDS-UHFFFAOYSA-N -1 1 293.388 3.454 20 0 CGADMM Cc1ccc2c(c1)[C@@H](NCc1cc(C(=O)[O-])co1)CC2 ZINC000902230167 621203380 /nfs/dbraw/zinc/20/33/80/621203380.db2.gz FJIVXBVVQDIRHA-HNNXBMFYSA-N -1 1 271.316 3.063 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN[C@H]1CCc2ccc(F)cc21 ZINC000902236225 621205678 /nfs/dbraw/zinc/20/56/78/621205678.db2.gz PYBRVCCRNDFDDY-AWEZNQCLSA-N -1 1 289.306 3.202 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CNC(C)(C)c1cccc(F)c1 ZINC000902284929 621226740 /nfs/dbraw/zinc/22/67/40/621226740.db2.gz AQJYSDQVTDSQIA-UHFFFAOYSA-N -1 1 291.322 3.450 20 0 CGADMM O=C([O-])c1csc(CN[C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000902340643 621253675 /nfs/dbraw/zinc/25/36/75/621253675.db2.gz HOXZXELEJWELCY-UKRRQHHQSA-N -1 1 291.347 3.173 20 0 CGADMM CC1(C)C[C@@]1(NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000902331277 621266957 /nfs/dbraw/zinc/26/69/57/621266957.db2.gz YSBDEUDPLDSPCY-QGZVFWFLSA-N -1 1 285.343 3.393 20 0 CGADMM CCSc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000902338141 621273059 /nfs/dbraw/zinc/27/30/59/621273059.db2.gz ZJFKEABZPIKOHQ-UHFFFAOYSA-N -1 1 291.372 3.380 20 0 CGADMM Cc1ncc([C@@H](C)NCc2csc(C(=O)[O-])c2)s1 ZINC000902382026 621298467 /nfs/dbraw/zinc/29/84/67/621298467.db2.gz PVDNGCHRZDWYNG-SSDOTTSWSA-N -1 1 282.390 3.062 20 0 CGADMM C[C@H]1Oc2ccccc2[C@H]1NCc1ccc(C(=O)[O-])s1 ZINC000903688184 621785509 /nfs/dbraw/zinc/78/55/09/621785509.db2.gz SWZYWCHWHKIFLT-OTYXRUKQSA-N -1 1 289.356 3.058 20 0 CGADMM COc1ccsc1CN[C@@H](CC(=O)[O-])c1ccsc1 ZINC000903989071 621847610 /nfs/dbraw/zinc/84/76/10/621847610.db2.gz PVJWOJUDVCBTQO-JTQLQIEISA-N -1 1 297.401 3.124 20 0 CGADMM Cc1coc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000904005375 621853236 /nfs/dbraw/zinc/85/32/36/621853236.db2.gz QPRCREYRALUIMM-SWLSCSKDSA-N -1 1 273.332 3.140 20 0 CGADMM O=C([O-])c1ccc(CN[C@@H]2CCCc3cccnc32)s1 ZINC000904260310 621897878 /nfs/dbraw/zinc/89/78/78/621897878.db2.gz OHHVWUZGGGNSRP-GFCCVEGCSA-N -1 1 288.372 3.009 20 0 CGADMM CC(C)(NC(=O)c1ccc2ccc(O)cc2c1[O-])C(F)F ZINC000907878725 622315796 /nfs/dbraw/zinc/31/57/96/622315796.db2.gz VSHWHZBNNOICBI-UHFFFAOYSA-N -1 1 295.285 3.025 20 0 CGADMM CCC/C=C\C(=O)Nc1cccc([O-])c1Br ZINC000908709655 622368891 /nfs/dbraw/zinc/36/88/91/622368891.db2.gz JBTRQMJLTZDKSF-YWEYNIOJSA-N -1 1 284.153 3.450 20 0 CGADMM C/C=C(\CC)C(=O)Nc1cccc([O-])c1Br ZINC000908708724 622369080 /nfs/dbraw/zinc/36/90/80/622369080.db2.gz BNOXDUQVDIXHTE-FPYGCLRLSA-N -1 1 284.153 3.450 20 0 CGADMM O=C(C[C@H]1CCC(F)(F)C1)Nc1cc([O-])c(F)cc1F ZINC000909986247 622443019 /nfs/dbraw/zinc/44/30/19/622443019.db2.gz DVSIKYOBBYBNRC-SSDOTTSWSA-N -1 1 291.244 3.434 20 0 CGADMM C[C@H]1CCC[C@H](C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909981057 622445067 /nfs/dbraw/zinc/44/50/67/622445067.db2.gz LMFZUKNYQDNURX-IUCAKERBSA-N -1 1 269.291 3.435 20 0 CGADMM Cc1oc(C(C)C)nc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910986425 622513616 /nfs/dbraw/zinc/51/36/16/622513616.db2.gz GRAJDOFVFNROOO-UHFFFAOYSA-N -1 1 296.273 3.343 20 0 CGADMM CC1(C)CC(C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910988807 622513789 /nfs/dbraw/zinc/51/37/89/622513789.db2.gz UKDKYMIQFGGZJH-UHFFFAOYSA-N -1 1 255.264 3.045 20 0 CGADMM C[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])C1CCC1 ZINC000910989372 622514376 /nfs/dbraw/zinc/51/43/76/622514376.db2.gz WPTLPFQEENHBGJ-SSDOTTSWSA-N -1 1 255.264 3.045 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H]1C(F)(F)F ZINC000913020880 622727946 /nfs/dbraw/zinc/72/79/46/622727946.db2.gz YUVKDLCBJBTHPB-VIFPVBQESA-N -1 1 293.672 3.213 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC=CC12CCCC2 ZINC000913199215 622740652 /nfs/dbraw/zinc/74/06/52/622740652.db2.gz HMKQSACJPVDXHT-UHFFFAOYSA-N -1 1 277.751 3.370 20 0 CGADMM Cc1cc(CNC(=O)c2c([O-])cccc2Cl)ccc1F ZINC000057305028 622869163 /nfs/dbraw/zinc/86/91/63/622869163.db2.gz CYKDPIFEIVEMRW-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)C ZINC000112736716 625605561 /nfs/dbraw/zinc/60/55/61/625605561.db2.gz ZWRFJOLMNPUPBW-LBPRGKRZSA-N -1 1 273.361 3.291 20 0 CGADMM O=C(NC[C@H]1C=CCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000914284143 623702265 /nfs/dbraw/zinc/70/22/65/623702265.db2.gz DQAKNQYHKRSUNA-VIFPVBQESA-N -1 1 285.265 3.107 20 0 CGADMM CC/C=C/CCOC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000918507272 624354509 /nfs/dbraw/zinc/35/45/09/624354509.db2.gz IXPBKFHPCYVSDY-ONEGZZNKSA-N -1 1 260.293 3.183 20 0 CGADMM CC(C)CCCNC(=O)c1c([O-])cccc1Cl ZINC000920444731 624494575 /nfs/dbraw/zinc/49/45/75/624494575.db2.gz CWABZULIBZLCQD-UHFFFAOYSA-N -1 1 255.745 3.212 20 0 CGADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000866975832 625846582 /nfs/dbraw/zinc/84/65/82/625846582.db2.gz DHQBQJZSVIBUHH-APHKKCJPSA-N -1 1 274.295 3.341 20 0 CGADMM CC(C)c1nnc([N-]C(=O)c2coc(C(C)(C)C)n2)s1 ZINC000874135010 634519457 /nfs/dbraw/zinc/51/94/57/634519457.db2.gz PRWNVMIVGADLQI-UHFFFAOYSA-N -1 1 294.380 3.199 20 0 CGADMM CCOCCO[N-]C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000758059873 626824986 /nfs/dbraw/zinc/82/49/86/626824986.db2.gz YRPHHSJMUNCBNU-AWEZNQCLSA-N -1 1 293.407 3.073 20 0 CGADMM C[C@H](C(=O)[N-]OCC(F)F)c1ccccc1C(F)(F)F ZINC000759340428 626888795 /nfs/dbraw/zinc/88/87/95/626888795.db2.gz XKQUYYHYNFGFNR-ZETCQYMHSA-N -1 1 297.223 3.122 20 0 CGADMM CCCC(C)=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000762792657 627124591 /nfs/dbraw/zinc/12/45/91/627124591.db2.gz BVZCIYQMIQAQBV-PKNBQFBNSA-N -1 1 285.347 3.467 20 0 CGADMM CC(C)CCn1nccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000767289889 627397038 /nfs/dbraw/zinc/39/70/38/627397038.db2.gz FZAOZYVLSHVZTK-UHFFFAOYSA-N -1 1 291.326 3.026 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1c(F)cccc1F ZINC000767303306 627397811 /nfs/dbraw/zinc/39/78/11/627397811.db2.gz VHMLKGULORMGHL-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM C/C(=C\C(=O)Nc1ccc(F)cc1[O-])C(C)(C)C ZINC000768257067 627470942 /nfs/dbraw/zinc/47/09/42/627470942.db2.gz CQKHFAVEGXFTTO-VQHVLOKHSA-N -1 1 251.301 3.462 20 0 CGADMM CCN(CC(F)(F)F)C(=O)c1c([O-])cccc1Cl ZINC000769743842 627575500 /nfs/dbraw/zinc/57/55/00/627575500.db2.gz GTWLOVQNILDKBI-UHFFFAOYSA-N -1 1 281.661 3.070 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H]1C1CC1 ZINC000769763205 627577092 /nfs/dbraw/zinc/57/70/92/627577092.db2.gz WNWGDLJAIHIXDQ-LLVKDONJSA-N -1 1 265.740 3.060 20 0 CGADMM C[C@H](Cc1nc(-c2ccc([O-])cc2F)no1)C1CC1 ZINC000771211155 627690764 /nfs/dbraw/zinc/69/07/64/627690764.db2.gz LSBUVWIWEIDFND-MRVPVSSYSA-N -1 1 262.284 3.170 20 0 CGADMM Cc1cccc([C@@H](C)C(=O)[N-]OCCC(F)(F)F)c1 ZINC000777974487 628317339 /nfs/dbraw/zinc/31/73/39/628317339.db2.gz GMJUZFJZVYTLHV-SNVBAGLBSA-N -1 1 275.270 3.099 20 0 CGADMM CCSCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000126787510 635263463 /nfs/dbraw/zinc/26/34/63/635263463.db2.gz OWNXXCLWHNMNKL-UHFFFAOYSA-N -1 1 284.328 3.046 20 0 CGADMM Cc1ccc(-c2nc3ccc(O)cc3c(=O)[n-]2)c(Cl)n1 ZINC000778523864 628354068 /nfs/dbraw/zinc/35/40/68/628354068.db2.gz HRPNHSNVYFEEBR-UHFFFAOYSA-N -1 1 287.706 3.065 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nc(Cl)cs1 ZINC000788742785 629078322 /nfs/dbraw/zinc/07/83/22/629078322.db2.gz PHLICUCZDPDMLI-UHFFFAOYSA-N -1 1 289.143 3.408 20 0 CGADMM CCC[C@@H](C)CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000789931281 629174530 /nfs/dbraw/zinc/17/45/30/629174530.db2.gz GILCTQFEKFZLLB-MRVPVSSYSA-N -1 1 256.733 3.205 20 0 CGADMM CC(C)C[C@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047036 629179022 /nfs/dbraw/zinc/17/90/22/629179022.db2.gz ALZRRTHGCKVOQD-QMMMGPOBSA-N -1 1 256.733 3.061 20 0 CGADMM COc1cc(C)ccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790048052 629179802 /nfs/dbraw/zinc/17/98/02/629179802.db2.gz PRLGKAQINMOPHC-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cncc2ccccc21 ZINC000790056439 629180929 /nfs/dbraw/zinc/18/09/29/629180929.db2.gz LKLKMGCTDNHYGF-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM O=C(CSc1ncnc2ccccc21)c1ccc([O-])cc1 ZINC000021227144 634730930 /nfs/dbraw/zinc/73/09/30/634730930.db2.gz WLFATIFOXBDJSL-UHFFFAOYSA-N -1 1 296.351 3.310 20 0 CGADMM CO[C@]1(C)CCCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000794179089 629519979 /nfs/dbraw/zinc/51/99/79/629519979.db2.gz HLBYOSUSBJEIFM-OAHLLOKOSA-N -1 1 297.782 3.077 20 0 CGADMM CSCCO[N-]C(=O)[C@H](CC(C)C)c1ccccc1 ZINC000794187960 629520229 /nfs/dbraw/zinc/52/02/29/629520229.db2.gz MDWIONZKJKIOBA-CQSZACIVSA-N -1 1 281.421 3.227 20 0 CGADMM CCc1ccc([C@@H](C)C(=O)[N-]OC[C@@H](C)CC)cc1 ZINC000794872855 629593230 /nfs/dbraw/zinc/59/32/30/629593230.db2.gz XNXLXPLCHRPAFM-QWHCGFSZSA-N -1 1 263.381 3.446 20 0 CGADMM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1ccco1 ZINC000864528456 629855719 /nfs/dbraw/zinc/85/57/19/629855719.db2.gz PUHRFLUQJSIWPS-OAHLLOKOSA-N -1 1 273.332 3.148 20 0 CGADMM CCc1ccccc1[C@H](CC(=O)[O-])NCc1ccco1 ZINC000864528455 629855836 /nfs/dbraw/zinc/85/58/36/629855836.db2.gz PUHRFLUQJSIWPS-HNNXBMFYSA-N -1 1 273.332 3.148 20 0 CGADMM Cc1nc(S[C@@H](C)C(=O)C(C)(C)C)[n-]c(=O)c1C1CC1 ZINC000865373239 630081355 /nfs/dbraw/zinc/08/13/55/630081355.db2.gz LNXBZJUXTLZNQX-VIFPVBQESA-N -1 1 294.420 3.464 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2nccn2C2CC2)c([O-])c1 ZINC000839934414 630332159 /nfs/dbraw/zinc/33/21/59/630332159.db2.gz IANNBJFQAGLECL-UHFFFAOYSA-N -1 1 285.347 3.299 20 0 CGADMM C[C@H](C(=O)[N-]OC1CCC1)c1ccc(Br)cc1 ZINC000812796761 631314484 /nfs/dbraw/zinc/31/44/84/631314484.db2.gz YXQZYMBNFLXEMZ-VIFPVBQESA-N -1 1 298.180 3.153 20 0 CGADMM CCCCOc1ccc(C(=O)NOC[C@H](C)CC)c([O-])c1 ZINC000816977454 632067373 /nfs/dbraw/zinc/06/73/73/632067373.db2.gz ZJGXLMVJVTWVNP-GFCCVEGCSA-N -1 1 295.379 3.279 20 0 CGADMM CCO[C@H](C(=O)Nc1ccc([O-])c(F)c1F)C1CCCC1 ZINC000868787867 633363880 /nfs/dbraw/zinc/36/38/80/633363880.db2.gz LHIRTNVKSJKZGQ-AWEZNQCLSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000827448922 633491617 /nfs/dbraw/zinc/49/16/17/633491617.db2.gz ZRGUOOXQPHNKAC-JGPRNRPPSA-N -1 1 263.312 3.296 20 0 CGADMM CCC(C)(C)CCNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000870290624 633554167 /nfs/dbraw/zinc/55/41/67/633554167.db2.gz XMCJPOCIJFPZIC-UHFFFAOYSA-N -1 1 293.411 3.170 20 0 CGADMM CCC(F)(F)C(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F ZINC000828947980 633671264 /nfs/dbraw/zinc/67/12/64/633671264.db2.gz CDJFURPHMRUMOR-LURJTMIESA-N -1 1 261.234 3.125 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CCC2(CCCC2)C1 ZINC000829167945 633707069 /nfs/dbraw/zinc/70/70/69/633707069.db2.gz OZOOWFMIPGWLDB-UHFFFAOYSA-N -1 1 296.370 3.347 20 0 CGADMM CCc1nc(SC[C@@H]2C[C@@H]3CCC[C@@H]3O2)[n-]c(=O)c1C ZINC000871676510 633820595 /nfs/dbraw/zinc/82/05/95/633820595.db2.gz YDIGQJRRVLHJFK-GVXVVHGQSA-N -1 1 294.420 3.103 20 0 CGADMM CCc1[n-]n(-c2ccc(C)cc2Cl)c(=O)c1F ZINC000871947369 633922381 /nfs/dbraw/zinc/92/23/81/633922381.db2.gz XZYIRXYMJDMRCN-LLVKDONJSA-N -1 1 254.692 3.099 20 0 CGADMM CCCc1[n-]n(C[C@@H]2CCCC2(F)F)c(=O)c1CC ZINC000871963477 633930769 /nfs/dbraw/zinc/93/07/69/633930769.db2.gz NWQPOYIDNAOBDH-QWRGUYRKSA-N -1 1 272.339 3.446 20 0 CGADMM C[C@@H]1CN(Cc2occc2C(=O)[O-])Cc2ccccc21 ZINC000872166749 634074227 /nfs/dbraw/zinc/07/42/27/634074227.db2.gz PTGVIDHNILRKIN-LLVKDONJSA-N -1 1 271.316 3.097 20 0 CGADMM CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)CC)C(F)(F)F ZINC000834544283 634179671 /nfs/dbraw/zinc/17/96/71/634179671.db2.gz SZXZWVMKGYSKFW-RNFRBKRXSA-N -1 1 261.234 3.125 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@@H]1C[C@H]1C1CCC1 ZINC000873048793 634237281 /nfs/dbraw/zinc/23/72/81/634237281.db2.gz MGOYPCVUFVCKMD-WCQYABFASA-N -1 1 294.782 3.033 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)C(C1CC1)C1CC1 ZINC000834829743 634250135 /nfs/dbraw/zinc/25/01/35/634250135.db2.gz ZPUJJQJHHDBRGG-UHFFFAOYSA-N -1 1 279.767 3.098 20 0 CGADMM CCCCSCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833489 634251995 /nfs/dbraw/zinc/25/19/95/634251995.db2.gz ARWMXHLPDXCPNK-UHFFFAOYSA-N -1 1 287.812 3.195 20 0 CGADMM O=c1nc(NCC[C@@H]2CCCC2(F)F)cc(Cl)[n-]1 ZINC000882799333 636424244 /nfs/dbraw/zinc/42/42/44/636424244.db2.gz YWZXRMSGRNDUSG-ZETCQYMHSA-N -1 1 277.702 3.073 20 0 CGADMM O=C([N-]c1nncs1)c1sccc1SC(F)F ZINC000107104858 636439537 /nfs/dbraw/zinc/43/95/37/636439537.db2.gz PBZMZMGXFPSFHU-UHFFFAOYSA-N -1 1 293.345 3.167 20 0 CGADMM O=C1[N-]C(=S)SC1=Cc1ccc(-n2cccn2)cc1 ZINC000026133036 636450474 /nfs/dbraw/zinc/45/04/74/636450474.db2.gz DJZYCTIUUYBAAK-FLIBITNWSA-N -1 1 287.369 3.201 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)[C@@H]1CCCc2ccc(OC)cc21 ZINC000848121154 636532864 /nfs/dbraw/zinc/53/28/64/636532864.db2.gz VGQFKBVNKPWJHQ-IUODEOHRSA-N -1 1 291.391 3.209 20 0 CGADMM CCc1nc(SCc2ccnc(Cl)c2)[n-]c(=O)c1C ZINC000849922010 636908950 /nfs/dbraw/zinc/90/89/50/636908950.db2.gz ZRLRPBATSZZMBF-UHFFFAOYSA-N -1 1 295.795 3.394 20 0 CGADMM CCCCC[C@H](C)NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000885345281 637206374 /nfs/dbraw/zinc/20/63/74/637206374.db2.gz MHZMDZHWPYNPQC-NSHDSACASA-N -1 1 293.411 3.313 20 0 CGADMM CCCCO[C@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674563 637283506 /nfs/dbraw/zinc/28/35/06/637283506.db2.gz QKQALNPQXUQVBW-MRVPVSSYSA-N -1 1 289.734 3.328 20 0 CGADMM O=C(/C=C\C1CCOCC1)Nc1cc(F)c([O-])cc1Cl ZINC000885676881 637283703 /nfs/dbraw/zinc/28/37/03/637283703.db2.gz VNCIQCVSOCEGDU-UPHRSURJSA-N -1 1 299.729 3.106 20 0 CGADMM O=C([O-])c1cccc2c1CCN(Cc1ccc(CF)cc1)C2 ZINC000851706677 637467695 /nfs/dbraw/zinc/46/76/95/637467695.db2.gz DQBDDUZLXXRJAU-UHFFFAOYSA-N -1 1 299.345 3.413 20 0 CGADMM C[C@H](C(=O)NCCc1c(F)cc([O-])cc1F)C1CCCC1 ZINC000886266821 637473575 /nfs/dbraw/zinc/47/35/75/637473575.db2.gz ZYWYEYXUXHSYHC-JTQLQIEISA-N -1 1 297.345 3.155 20 0 CGADMM CC(C)=C(C)CC(=O)NCCc1c(F)cc([O-])cc1F ZINC000886269863 637475069 /nfs/dbraw/zinc/47/50/69/637475069.db2.gz JWBUAVNOKVTMIW-UHFFFAOYSA-N -1 1 283.318 3.076 20 0 CGADMM CCc1[n-]n(-c2ccnc3cccnc32)c(=O)c1C(C)C ZINC000887294953 637792265 /nfs/dbraw/zinc/79/22/65/637792265.db2.gz RAEDADQEXZVFTG-AWEZNQCLSA-N -1 1 282.347 3.015 20 0 CGADMM C/C(=C/C(=O)Nc1cc(F)c([O-])cc1Cl)C1CC1 ZINC000885674123 638022950 /nfs/dbraw/zinc/02/29/50/638022950.db2.gz HVFMABZLFZFMPM-DAXSKMNVSA-N -1 1 269.703 3.480 20 0 CGADMM O=C([N-]Oc1ccccc1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000854537709 638068567 /nfs/dbraw/zinc/06/85/67/638068567.db2.gz ZIPCZIVAJTXVAG-UWVGGRQHSA-N -1 1 273.254 3.075 20 0 CGADMM CCCCCC[C@@H](C)CC(=O)Nc1c(C)[n-][nH]c1=O ZINC000854635165 638080346 /nfs/dbraw/zinc/08/03/46/638080346.db2.gz OPMXUSYOILJQRO-SNVBAGLBSA-N -1 1 267.373 3.359 20 0 CGADMM CCCO[N-]C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000857546874 638516269 /nfs/dbraw/zinc/51/62/69/638516269.db2.gz ISFZNQSXNAVFSS-ZDUSSCGKSA-N -1 1 263.381 3.446 20 0 CGADMM CCC[C@H](C(=O)[N-]OCC)c1cccc(Cl)c1 ZINC000858263000 638668326 /nfs/dbraw/zinc/66/83/26/638668326.db2.gz UBHWBZMQLBQJSD-LBPRGKRZSA-N -1 1 255.745 3.291 20 0 CGADMM CCS[C@H]1CCC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858435290 638717926 /nfs/dbraw/zinc/71/79/26/638717926.db2.gz DOEYFMFXBQXDOY-BDAKNGLRSA-N -1 1 287.816 3.312 20 0 CGADMM O=c1nc(NCC2CC(c3ccccc3)C2)cc(Cl)[n-]1 ZINC000858532094 638757021 /nfs/dbraw/zinc/75/70/21/638757021.db2.gz GUQRMEZMPGDSRC-UHFFFAOYSA-N -1 1 289.766 3.441 20 0 CGADMM CCCc1nc(C(=O)[N-]c2c(C)noc2C(C)C)co1 ZINC000928788721 638892379 /nfs/dbraw/zinc/89/23/79/638892379.db2.gz XJCSAQVEQUVMOT-UHFFFAOYSA-N -1 1 277.324 3.299 20 0 CGADMM O=c1nc(N2CCC[C@@H]2CC2CCCC2)cc(Cl)[n-]1 ZINC000858615852 639003336 /nfs/dbraw/zinc/00/33/36/639003336.db2.gz MWTDGNHKQMAGPE-LLVKDONJSA-N -1 1 281.787 3.385 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc2ncccc2c1 ZINC000188359035 640133289 /nfs/dbraw/zinc/13/32/89/640133289.db2.gz ZZUBOAYZKSLAAW-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2ccccc2o1 ZINC000188359714 640134026 /nfs/dbraw/zinc/13/40/26/640134026.db2.gz WLVFIBCHCVGGMH-UHFFFAOYSA-N -1 1 288.690 3.439 20 0 CGADMM CCOC1CC(CC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000188656031 640146120 /nfs/dbraw/zinc/14/61/20/640146120.db2.gz VVPHNDVTLKWXPR-UHFFFAOYSA-N -1 1 283.755 3.189 20 0 CGADMM COc1ncccc1NCc1c([O-])ccc(Cl)c1F ZINC000191555694 640319250 /nfs/dbraw/zinc/31/92/50/640319250.db2.gz DPYRTOCURVYVQB-UHFFFAOYSA-N -1 1 282.702 3.200 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cccc(Cl)n2)n1 ZINC000091436742 640712999 /nfs/dbraw/zinc/71/29/99/640712999.db2.gz KAVZGHXZTKJYFW-UHFFFAOYSA-N -1 1 295.795 3.063 20 0 CGADMM O=C(c1cccc([O-])c1F)N(CC1CC1)CC1CCC1 ZINC001155632998 805598612 /nfs/dbraw/zinc/59/86/12/805598612.db2.gz CRFBQGVIHJKIKW-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM Cc1ccc2ccc(C(=O)N3CCC34CCCC4)c([O-])c2n1 ZINC001155653471 805600396 /nfs/dbraw/zinc/60/03/96/805600396.db2.gz IVAVXLNNGXCKLA-UHFFFAOYSA-N -1 1 296.370 3.408 20 0 CGADMM CCOc1ccc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2c1 ZINC001250479863 805642448 /nfs/dbraw/zinc/64/24/48/805642448.db2.gz NZYANHPPUKXILC-UHFFFAOYSA-N -1 1 282.299 3.327 20 0 CGADMM CCC[C@](C)(CC)C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC001157105527 805777892 /nfs/dbraw/zinc/77/78/92/805777892.db2.gz MXRLKMCMTPKMGT-HNNXBMFYSA-N -1 1 295.383 3.130 20 0 CGADMM O=C([O-])c1ccc(-c2nc3cc(F)cc(Cl)c3[nH]2)o1 ZINC001250922195 805799025 /nfs/dbraw/zinc/79/90/25/805799025.db2.gz DZVCZALXIGAVJU-UHFFFAOYSA-N -1 1 280.642 3.314 20 0 CGADMM O=S(=O)([N-]c1ccc2ccc(O)cc2c1)c1ccccc1 ZINC001251141398 805854220 /nfs/dbraw/zinc/85/42/20/805854220.db2.gz QZJBEXYXFDPNBL-UHFFFAOYSA-N -1 1 299.351 3.346 20 0 CGADMM Cc1ccc(F)cc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001157805494 805874665 /nfs/dbraw/zinc/87/46/65/805874665.db2.gz HVRCQOVQHDWJGW-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CC(C)(C)CCCC(=O)OCC(=O)c1ccc([O-])cc1O ZINC001251629152 805914427 /nfs/dbraw/zinc/91/44/27/805914427.db2.gz IWVJZQWKEWINFC-UHFFFAOYSA-N -1 1 294.347 3.040 20 0 CGADMM [O-]c1cc(F)c(F)c(-c2nnc(-c3ccccc3)o2)c1 ZINC001253138365 806179570 /nfs/dbraw/zinc/17/95/70/806179570.db2.gz SOQHTEBWTDUXNT-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM COc1cccc(-c2nnc(-c3cccc([O-])c3F)o2)c1 ZINC001253342572 806205721 /nfs/dbraw/zinc/20/57/21/806205721.db2.gz OFAFLWAMFLMTOQ-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc2nc[nH]c2c1 ZINC001160223965 806237791 /nfs/dbraw/zinc/23/77/91/806237791.db2.gz MYNLPYINNSNABR-UHFFFAOYSA-N -1 1 285.278 3.452 20 0 CGADMM Cc1ccoc1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001160459292 806274032 /nfs/dbraw/zinc/27/40/32/806274032.db2.gz QQXRMELJDIAEAB-UHFFFAOYSA-N -1 1 297.310 3.082 20 0 CGADMM CC(=O)c1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1C ZINC001160541010 806283455 /nfs/dbraw/zinc/28/34/55/806283455.db2.gz TYBLSDDOQMIVRS-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1C[C@H]1c1ccco1 ZINC001160916819 806321957 /nfs/dbraw/zinc/32/19/57/806321957.db2.gz NEUHSNUTFZNUEI-HTQZYQBOSA-N -1 1 279.242 3.006 20 0 CGADMM [O-]c1cc(-c2nnc(C3CC3)o2)ccc1Br ZINC001254114678 806344106 /nfs/dbraw/zinc/34/41/06/806344106.db2.gz CQPMXMUUDMHJJI-UHFFFAOYSA-N -1 1 281.109 3.082 20 0 CGADMM Cc1csc(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC001161178881 806356124 /nfs/dbraw/zinc/35/61/24/806356124.db2.gz CPXDAEACLWTQTC-UHFFFAOYSA-N -1 1 268.725 3.063 20 0 CGADMM COc1c(Cl)ccc([O-])c1-c1nnc(C2CCC2)o1 ZINC001255246789 806584002 /nfs/dbraw/zinc/58/40/02/806584002.db2.gz SWJPTNCMEQFMPI-UHFFFAOYSA-N -1 1 280.711 3.372 20 0 CGADMM CCc1ccc2nc(-c3cccc(COC)c3)[n-]c(=O)c2c1 ZINC000057772220 798900101 /nfs/dbraw/zinc/90/01/01/798900101.db2.gz JBBYXPUDSLLEQQ-UHFFFAOYSA-N -1 1 294.354 3.299 20 0 CGADMM Cc1cscc1[N-]c1nnc(Br)s1 ZINC000307215123 799215687 /nfs/dbraw/zinc/21/56/87/799215687.db2.gz KYNMCFDBKQJUJV-UHFFFAOYSA-N -1 1 276.184 3.414 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC=C(Cl)C1 ZINC000404554199 799578070 /nfs/dbraw/zinc/57/80/70/799578070.db2.gz SECMLIVWEGAUJM-UHFFFAOYSA-N -1 1 272.131 3.014 20 0 CGADMM CCc1cccnc1-c1noc(-c2c([O-])cccc2OC)n1 ZINC000405295592 799582483 /nfs/dbraw/zinc/58/24/83/799582483.db2.gz GCUOCVFQGMINBC-UHFFFAOYSA-N -1 1 297.314 3.075 20 0 CGADMM CS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000707342297 799976827 /nfs/dbraw/zinc/97/68/27/799976827.db2.gz FVKJPCYQEKKSGB-WDEREUQCSA-N -1 1 299.823 3.402 20 0 CGADMM C[C@@H]1C[C@H]1c1nnc(Cc2ccc([O-])c(Cl)c2)o1 ZINC001256611893 806926137 /nfs/dbraw/zinc/92/61/37/806926137.db2.gz ZIVGJAAFQKTKSN-VXNVDRBHSA-N -1 1 264.712 3.143 20 0 CGADMM CCc1ccc2nc(-c3cccc(F)n3)[n-]c(=O)c2c1 ZINC001116388072 802340024 /nfs/dbraw/zinc/34/00/24/802340024.db2.gz XEMHHFPXDTYODN-UHFFFAOYSA-N -1 1 269.279 3.099 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C[C@@H]1C ZINC001119530066 802676714 /nfs/dbraw/zinc/67/67/14/802676714.db2.gz REVRLZVVLHPTIV-NEPJUHHUSA-N -1 1 299.370 3.369 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1nc(Cl)ccc1F ZINC001120691382 802763053 /nfs/dbraw/zinc/76/30/53/802763053.db2.gz UAQPDEGEAVXMAY-UHFFFAOYSA-N -1 1 283.690 3.238 20 0 CGADMM Cc1nc(-c2ccc(N[C@H](C)C3(C)CC3)nc2)[n-]c(=O)c1C ZINC001120971895 802798371 /nfs/dbraw/zinc/79/83/71/802798371.db2.gz ZZCHKXINPFXFPA-GFCCVEGCSA-N -1 1 298.390 3.462 20 0 CGADMM COc1ccc(C(=O)[N-]c2c(F)cc(Cl)cc2F)o1 ZINC001127557596 803146183 /nfs/dbraw/zinc/14/61/83/803146183.db2.gz QHVQGJHYQZSGKV-UHFFFAOYSA-N -1 1 287.649 3.472 20 0 CGADMM Cc1cn2c(cccc2-c2cc(F)c([O-])c(F)c2)n1 ZINC001244096802 803184981 /nfs/dbraw/zinc/18/49/81/803184981.db2.gz OVWJBXPWNVXAMA-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM O=C1CCc2ccc(-c3cc(F)c([O-])c(F)c3)cc2N1 ZINC001244097637 803185341 /nfs/dbraw/zinc/18/53/41/803185341.db2.gz XRTFOMFNEYKMMZ-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM COc1ccc(-c2cc(F)c([O-])c(F)c2)cc1NC(C)=O ZINC001244097219 803185358 /nfs/dbraw/zinc/18/53/58/803185358.db2.gz NLDKCZGJECTFDH-UHFFFAOYSA-N -1 1 293.269 3.304 20 0 CGADMM Cc1c2cc[nH]c2ncc1-c1cc(F)c([O-])c(F)c1 ZINC001244097911 803186398 /nfs/dbraw/zinc/18/63/98/803186398.db2.gz ZUTBKBSBSIITEK-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM Cc1cc(-c2ccc(OC(F)(F)F)cc2[O-])nnc1C ZINC001244463894 803381876 /nfs/dbraw/zinc/38/18/76/803381876.db2.gz HCKHUDQFXHUHBH-UHFFFAOYSA-N -1 1 284.237 3.365 20 0 CGADMM COC(=O)c1c2c(sc1[N-]c1nccs1)CCC2 ZINC001210990145 814701416 /nfs/dbraw/zinc/70/14/16/814701416.db2.gz YIBBUIOHHXMDAY-UHFFFAOYSA-N -1 1 280.374 3.224 20 0 CGADMM Cc1cc(-c2ccc3ncn(C)c3n2)cc(Cl)c1[O-] ZINC001244531302 803421518 /nfs/dbraw/zinc/42/15/18/803421518.db2.gz HXZDSPXPTBNXJS-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM Cc1cc(-c2ncnc(C)c2F)cc(Cl)c1[O-] ZINC001244530877 803422107 /nfs/dbraw/zinc/42/21/07/803422107.db2.gz BULVGHCQIYOKJI-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM COC(=O)c1ccnc(-c2cc(C)c([O-])c(Cl)c2)c1F ZINC001244529518 803422183 /nfs/dbraw/zinc/42/21/83/803422183.db2.gz AJRMZHIKCZDRKO-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COCc1cc(-c2cc(C)c([O-])c(Cl)c2)nc(C)n1 ZINC001244531549 803422995 /nfs/dbraw/zinc/42/29/95/803422995.db2.gz LENKUNRZTVTLCD-UHFFFAOYSA-N -1 1 278.739 3.266 20 0 CGADMM Cc1nc(-c2c(Cl)ccc([O-])c2F)cc(N(C)C)n1 ZINC001244538340 803425368 /nfs/dbraw/zinc/42/53/68/803425368.db2.gz NBEKCPKRIUUBNV-UHFFFAOYSA-N -1 1 281.718 3.016 20 0 CGADMM COc1ccnc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244539013 803426576 /nfs/dbraw/zinc/42/65/76/803426576.db2.gz VHZOPYJOAZVBIJ-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccc(N3CCCC3)nn2)c1F ZINC001244539015 803427021 /nfs/dbraw/zinc/42/70/21/803427021.db2.gz VJRXBDLEMHYKBK-UHFFFAOYSA-N -1 1 293.729 3.242 20 0 CGADMM COC(=O)c1cnc(C)c(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244540302 803427705 /nfs/dbraw/zinc/42/77/05/803427705.db2.gz CXHBIVMUESRBSL-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cnc3[nH]cnc3c2)c1F ZINC001244539786 803428074 /nfs/dbraw/zinc/42/80/74/803428074.db2.gz IDBVUWRIJHUXTJ-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM Cn1nnc2ccc(-c3c(Cl)ccc([O-])c3F)cc21 ZINC001244542810 803429243 /nfs/dbraw/zinc/42/92/43/803429243.db2.gz OGYYBFWATICPLC-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM O=C1NCCc2c1cccc2-c1c(Cl)ccc([O-])c1F ZINC001244543335 803430289 /nfs/dbraw/zinc/43/02/89/803430289.db2.gz SGVMBXPURDRFIF-UHFFFAOYSA-N -1 1 291.709 3.138 20 0 CGADMM O=C1NCc2cccc(-c3c(Cl)ccc([O-])c3F)c2N1 ZINC001244543671 803430885 /nfs/dbraw/zinc/43/08/85/803430885.db2.gz XPGBZRWMLFRAPB-UHFFFAOYSA-N -1 1 292.697 3.487 20 0 CGADMM Cc1cc(-c2ncnn3cccc23)cc(Cl)c1[O-] ZINC001244547436 803431441 /nfs/dbraw/zinc/43/14/41/803431441.db2.gz KTKBDCBRLLGMDL-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM COc1ccccc1OC(=O)c1ccc(Cl)c([O-])c1 ZINC001135975491 803622281 /nfs/dbraw/zinc/62/22/81/803622281.db2.gz UHDVRWLOXJOVBA-UHFFFAOYSA-N -1 1 278.691 3.273 20 0 CGADMM COc1ccc(-c2cc(Cl)ccc2[O-])nc1F ZINC001245051888 803622742 /nfs/dbraw/zinc/62/27/42/803622742.db2.gz KBVBSWXEUHQSEI-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001136204179 803636643 /nfs/dbraw/zinc/63/66/43/803636643.db2.gz GMKJHNGQFZLPIK-DGCLKSJQSA-N -1 1 284.359 3.249 20 0 CGADMM C[C@H](c1ccco1)N(C(=O)c1ccc(F)c([O-])c1)C1CC1 ZINC001136406891 803642887 /nfs/dbraw/zinc/64/28/87/803642887.db2.gz GEMJVAGRHBUZJM-SNVBAGLBSA-N -1 1 289.306 3.490 20 0 CGADMM CC(=O)Oc1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001212082034 814974417 /nfs/dbraw/zinc/97/44/17/814974417.db2.gz HXUAHRMCYAOPRQ-UHFFFAOYSA-N -1 1 279.242 3.339 20 0 CGADMM COC(=O)c1nccc(-c2c(F)ccc([O-])c2Cl)c1C ZINC001245831270 803986019 /nfs/dbraw/zinc/98/60/19/803986019.db2.gz IPWFUTZLKJVOFP-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(OC(F)F)nn2)c1Cl ZINC001245831635 803986271 /nfs/dbraw/zinc/98/62/71/803986271.db2.gz BZERTCJNMNFMFP-UHFFFAOYSA-N -1 1 290.628 3.243 20 0 CGADMM [O-]c1ccc(F)c(-c2cccc3nccn32)c1Cl ZINC001245831536 803986539 /nfs/dbraw/zinc/98/65/39/803986539.db2.gz NVOPEHHLGXQOSY-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM O=C1NCCc2c1cccc2-c1c(F)ccc([O-])c1Cl ZINC001245832214 803986792 /nfs/dbraw/zinc/98/67/92/803986792.db2.gz NTMMWKJTHHCASV-UHFFFAOYSA-N -1 1 291.709 3.138 20 0 CGADMM Cc1nc2ccc(-c3c(F)ccc([O-])c3Cl)cn2n1 ZINC001245831952 803987139 /nfs/dbraw/zinc/98/71/39/803987139.db2.gz FVQGQWJHRFIXMR-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM O=c1ccc(-c2c(F)ccc([O-])c2Cl)cn1C(F)F ZINC001245832720 803988456 /nfs/dbraw/zinc/98/84/56/803988456.db2.gz NUFGZWHFWVYXNR-UHFFFAOYSA-N -1 1 289.640 3.409 20 0 CGADMM CCCc1cc(=O)n(-c2cccc3c2CCCC3)[n-]1 ZINC001245925739 804052796 /nfs/dbraw/zinc/05/27/96/804052796.db2.gz WJPYVINKXIFMOU-UHFFFAOYSA-N -1 1 256.349 3.409 20 0 CGADMM CCCc1cc(=O)n(-c2ccc(Br)c(F)c2)[n-]1 ZINC001245926007 804054853 /nfs/dbraw/zinc/05/48/53/804054853.db2.gz YFXZGXWZRCQHEE-UHFFFAOYSA-N -1 1 299.143 3.432 20 0 CGADMM CC(C)(C)Cc1cc(=O)n(-c2ccc(F)c(F)c2)[n-]1 ZINC001245931440 804060000 /nfs/dbraw/zinc/06/00/00/804060000.db2.gz BBFWJCYZEGCFDX-UHFFFAOYSA-N -1 1 266.291 3.445 20 0 CGADMM O=c1cc(CC2CCC2)[n-]n1-c1ccc(F)c(F)c1 ZINC001245935869 804065765 /nfs/dbraw/zinc/06/57/65/804065765.db2.gz DSGQIZZQXYKMOB-UHFFFAOYSA-N -1 1 264.275 3.199 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1C(=S)c1ccc(Cl)cc1 ZINC001245953625 804088758 /nfs/dbraw/zinc/08/87/58/804088758.db2.gz SVEFAHADIBTKIR-UHFFFAOYSA-N -1 1 292.791 3.418 20 0 CGADMM CSc1ccc([N-]c2nnc(C(C)C)o2)c(C)n1 ZINC001215905905 815625200 /nfs/dbraw/zinc/62/52/00/815625200.db2.gz XPLPHSJCPIKTEW-UHFFFAOYSA-N -1 1 264.354 3.362 20 0 CGADMM CC(=O)n1ncc2ccc([N-]c3nnc(C(C)(C)C)o3)cc21 ZINC001212411069 815021987 /nfs/dbraw/zinc/02/19/87/815021987.db2.gz VWAHXQZSXMUHDU-UHFFFAOYSA-N -1 1 299.334 3.121 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1csc(Cl)n1 ZINC001140656708 804484517 /nfs/dbraw/zinc/48/45/17/804484517.db2.gz AFKDLRMSHARUEC-UHFFFAOYSA-N -1 1 290.678 3.033 20 0 CGADMM COc1ccccc1CN(C)Cc1ccc([O-])c(F)c1F ZINC001140890308 804541944 /nfs/dbraw/zinc/54/19/44/804541944.db2.gz CAEVKXAQRPGTAL-UHFFFAOYSA-N -1 1 293.313 3.311 20 0 CGADMM [O-]c1ccc(CN2CCC[C@H](C(F)F)C2)c(F)c1F ZINC001140894015 804545260 /nfs/dbraw/zinc/54/52/60/804545260.db2.gz NVGSJNLBFYOXQT-VIFPVBQESA-N -1 1 277.261 3.148 20 0 CGADMM Cc1ccc2c(c1)C=C(C(=O)Nc1c([O-])cccc1F)CO2 ZINC001165751928 807017731 /nfs/dbraw/zinc/01/77/31/807017731.db2.gz RXZHKMOIMFMCPR-UHFFFAOYSA-N -1 1 299.301 3.254 20 0 CGADMM Cc1cc(F)c(CC(=O)Nc2c([O-])cccc2F)cc1F ZINC001165751266 807017889 /nfs/dbraw/zinc/01/78/89/807017889.db2.gz JKEZWIOLUQEGIK-UHFFFAOYSA-N -1 1 295.260 3.299 20 0 CGADMM CC(=O)c1cc(-c2nc(-c3cccc4occc43)no2)n[n-]1 ZINC001212429752 815026873 /nfs/dbraw/zinc/02/68/73/815026873.db2.gz OBLPYQJPYCXPKT-UHFFFAOYSA-N -1 1 294.270 3.076 20 0 CGADMM CC(=O)c1cc(-c2nc(-c3cccc4occc43)no2)[n-]n1 ZINC001212429752 815026881 /nfs/dbraw/zinc/02/68/81/815026881.db2.gz OBLPYQJPYCXPKT-UHFFFAOYSA-N -1 1 294.270 3.076 20 0 CGADMM O=C(Nc1ccc2ccccc2n1)c1ccc([O-])cc1F ZINC001141704410 804665399 /nfs/dbraw/zinc/66/53/99/804665399.db2.gz JEURDXHIUNZVDZ-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1Cc2ccc(Cl)cc2C1 ZINC001141991364 804685659 /nfs/dbraw/zinc/68/56/59/804685659.db2.gz VYWRFDCEVJCXEW-UHFFFAOYSA-N -1 1 291.709 3.341 20 0 CGADMM Cc1cc(F)c(F)c(-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212480694 815034728 /nfs/dbraw/zinc/03/47/28/815034728.db2.gz CUQCNCFPBVFRSQ-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2cccc3ccncc32)no1 ZINC001212480813 815035550 /nfs/dbraw/zinc/03/55/50/815035550.db2.gz KBPXGGNDNAWPIN-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142541580 804734724 /nfs/dbraw/zinc/73/47/24/804734724.db2.gz CGIXSHPREDTZBP-PSASIEDQSA-N -1 1 269.291 3.435 20 0 CGADMM CCc1cccc(CC(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001142542954 804736465 /nfs/dbraw/zinc/73/64/65/804736465.db2.gz XMKOBODAJKQARW-UHFFFAOYSA-N -1 1 291.297 3.414 20 0 CGADMM CN(Cc1ccccn1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142643285 804746749 /nfs/dbraw/zinc/74/67/49/804746749.db2.gz OTDLOSQJSSPSHP-UHFFFAOYSA-N -1 1 290.750 3.065 20 0 CGADMM C[N@H+]1CCC[C@@H](CCNc2cc([S-])cc([S-])c2)C1 ZINC001165290411 806989015 /nfs/dbraw/zinc/98/90/15/806989015.db2.gz SWCRAPDIWBAZFC-NSHDSACASA-N -1 1 282.478 3.408 20 0 CGADMM CSCC1(CCNC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC001165915503 807026435 /nfs/dbraw/zinc/02/64/35/807026435.db2.gz GYYYXRLTRZBDQG-UHFFFAOYSA-N -1 1 299.823 3.309 20 0 CGADMM C/C=C/C=C/C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001144001434 804921704 /nfs/dbraw/zinc/92/17/04/804921704.db2.gz XEJOTGRPQPGVHQ-CRBCFSCISA-N -1 1 271.238 3.482 20 0 CGADMM CCN(Cc1cccnc1)Cc1c(F)cc([O-])cc1F ZINC001144554749 805004753 /nfs/dbraw/zinc/00/47/53/805004753.db2.gz FZXZLTIXIHJKNK-UHFFFAOYSA-N -1 1 278.302 3.088 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@H]2c2cccnc2)cc1F ZINC001144646715 805022717 /nfs/dbraw/zinc/02/27/17/805022717.db2.gz IGCBCXFLCCCOGG-OAHLLOKOSA-N -1 1 290.313 3.403 20 0 CGADMM O=C(NCc1ccc2occc2c1)c1ccc(F)c([O-])c1 ZINC001146507179 805071215 /nfs/dbraw/zinc/07/12/15/805071215.db2.gz PHTGPSXXRRWKSX-UHFFFAOYSA-N -1 1 285.274 3.208 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ncc3ccccc3c2[O-])[C@H](C)C1 ZINC001146811846 805090368 /nfs/dbraw/zinc/09/03/68/805090368.db2.gz BFDVOFCUKLINAR-LALPHHSUSA-N -1 1 298.386 3.495 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ncc3ccccc3c2[O-])[C@H](C)C1 ZINC001146811845 805090447 /nfs/dbraw/zinc/09/04/47/805090447.db2.gz BFDVOFCUKLINAR-JMSVASOKSA-N -1 1 298.386 3.495 20 0 CGADMM C[C@H]1Cc2ccccc2CN1C(=O)c1cccc([O-])c1F ZINC001148513826 805193286 /nfs/dbraw/zinc/19/32/86/805193286.db2.gz AUGXLTGYOWGURM-NSHDSACASA-N -1 1 285.318 3.118 20 0 CGADMM C[C@H]1CCCN(Cc2ccc(F)c(C(=O)[O-])c2F)[C@H]1C ZINC001249774430 805241182 /nfs/dbraw/zinc/24/11/82/805241182.db2.gz WLNZELCLJVZSGB-UWVGGRQHSA-N -1 1 283.318 3.283 20 0 CGADMM Cc1ccc(C(=O)Cc2cc(F)c([O-])c(F)c2)cc1 ZINC001249909757 805298953 /nfs/dbraw/zinc/29/89/53/805298953.db2.gz IAKQBIPPMBZYJY-UHFFFAOYSA-N -1 1 262.255 3.404 20 0 CGADMM [O-]c1cc(Nc2ncc(F)cc2F)c(F)c(F)c1F ZINC001249958446 805323849 /nfs/dbraw/zinc/32/38/49/805323849.db2.gz MTZRFFKVNTVHAA-UHFFFAOYSA-N -1 1 276.164 3.226 20 0 CGADMM CCOc1cc(Nc2cc([O-])c(F)c(F)c2F)ccn1 ZINC001249957471 805324943 /nfs/dbraw/zinc/32/49/43/805324943.db2.gz GCKVTBHIEUFLNV-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM [O-]c1cc(Nc2nc(F)ccc2F)c(F)c(F)c1F ZINC001249961616 805328847 /nfs/dbraw/zinc/32/88/47/805328847.db2.gz VAVYZWZEPXZIDJ-UHFFFAOYSA-N -1 1 276.164 3.226 20 0 CGADMM [O-]c1cc(Nc2ccc(F)c(CO)c2)c(F)c(F)c1F ZINC001249962887 805330583 /nfs/dbraw/zinc/33/05/83/805330583.db2.gz HTEIUHFEJBXTAY-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM Cc1ccnc(F)c1Nc1cc2ccc([O-])cc2oc1=O ZINC001212555760 815067073 /nfs/dbraw/zinc/06/70/73/815067073.db2.gz MZYVBGCJPDBTRC-UHFFFAOYSA-N -1 1 286.262 3.085 20 0 CGADMM [O-]c1cc(Nc2ccc3cncnc3c2)c(F)c(F)c1F ZINC001249965151 805333444 /nfs/dbraw/zinc/33/34/44/805333444.db2.gz XRNXCXLUSFTWGF-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM Cc1ccc(Nc2cc(Cl)c([O-])cc2F)c(C(N)=O)c1 ZINC001250027369 805378013 /nfs/dbraw/zinc/37/80/13/805378013.db2.gz XDFPGXCSDQLPJU-UHFFFAOYSA-N -1 1 294.713 3.336 20 0 CGADMM Cc1nc(Cl)ccc1[N-]c1nonc1C1CC1 ZINC001250153002 805446502 /nfs/dbraw/zinc/44/65/02/805446502.db2.gz MPOQKNWWTHJDIJ-UHFFFAOYSA-N -1 1 250.689 3.047 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)NC(C)(C)C3CC3)cc2c1 ZINC001154755074 805482548 /nfs/dbraw/zinc/48/25/48/805482548.db2.gz XEGJYJZLJDEOKC-UHFFFAOYSA-N -1 1 299.370 3.472 20 0 CGADMM CN(C)c1ccc(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250228024 805504816 /nfs/dbraw/zinc/50/48/16/805504816.db2.gz HSSQPRWERLEATD-UHFFFAOYSA-N -1 1 281.718 3.389 20 0 CGADMM [O-]c1ccc(F)c(Nc2ncncc2Cl)c1Cl ZINC001250228086 805505099 /nfs/dbraw/zinc/50/50/99/805505099.db2.gz KKCDAQFSEQRBPW-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM CSc1cc(Nc2c(F)ccc([O-])c2Cl)nn1C ZINC001250230465 805506096 /nfs/dbraw/zinc/50/60/96/805506096.db2.gz ZBJZHLFIRIHNML-UHFFFAOYSA-N -1 1 287.747 3.384 20 0 CGADMM Nc1cccc(Nc2c(F)ccc([O-])c2Cl)c1O ZINC001250237186 805513137 /nfs/dbraw/zinc/51/31/37/805513137.db2.gz DUPBNYXBYJLZKG-UHFFFAOYSA-N -1 1 268.675 3.216 20 0 CGADMM CCOc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1CC ZINC001250283700 805540219 /nfs/dbraw/zinc/54/02/19/805540219.db2.gz IRURCZMEUMPJAL-UHFFFAOYSA-N -1 1 297.358 3.274 20 0 CGADMM O=C(Cc1ccc([O-])c(F)c1F)c1cccs1 ZINC001250306813 805557317 /nfs/dbraw/zinc/55/73/17/805557317.db2.gz KGANCEDIYFXGBY-UHFFFAOYSA-N -1 1 254.257 3.157 20 0 CGADMM CCC[C@@H](C)CC[C@@H](C)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001257472145 807172822 /nfs/dbraw/zinc/17/28/22/807172822.db2.gz QZKRQUFFUCKQRO-NXEZZACHSA-N -1 1 277.372 3.075 20 0 CGADMM Cc1ccc(Cl)cc1-c1noc(-c2ccncc2[O-])n1 ZINC001212721376 815114375 /nfs/dbraw/zinc/11/43/75/815114375.db2.gz MVMSXWYCLNECMW-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM Cc1ccc(CNC(=O)c2ccc3ccc(O)cc3c2[O-])o1 ZINC001168709670 807492809 /nfs/dbraw/zinc/49/28/09/807492809.db2.gz SUQKSRLDLPNDDS-UHFFFAOYSA-N -1 1 297.310 3.082 20 0 CGADMM O=S(=O)([N-]c1ccc(Cl)s1)C1CCCCC1 ZINC001259809528 807688100 /nfs/dbraw/zinc/68/81/00/807688100.db2.gz RDBOZVOSSMNPRN-UHFFFAOYSA-N -1 1 279.814 3.476 20 0 CGADMM CC(C)CS(=O)(=O)[N-]c1ccc2ccc(Cl)cc2n1 ZINC001259878091 807690692 /nfs/dbraw/zinc/69/06/92/807690692.db2.gz HHTSMWDTVNENRD-UHFFFAOYSA-N -1 1 298.795 3.286 20 0 CGADMM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1F ZINC001260204832 807696406 /nfs/dbraw/zinc/69/64/06/807696406.db2.gz MSCFSLYOAXQSDI-SSDOTTSWSA-N -1 1 297.754 3.085 20 0 CGADMM CCC[C@H](C)C[C@@H](NCc1cc2cnccc2o1)C(=O)[O-] ZINC001261503605 807752435 /nfs/dbraw/zinc/75/24/35/807752435.db2.gz GAXXODNCURXSRF-SMDDNHRTSA-N -1 1 290.363 3.197 20 0 CGADMM Cc1ccc(Cl)c(C)c1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170229732 807797843 /nfs/dbraw/zinc/79/78/43/807797843.db2.gz ZARKJVDFWMAREF-UHFFFAOYSA-N -1 1 289.726 3.072 20 0 CGADMM Cc1cnc(F)cc1Nc1ccnc(Cl)c1[O-] ZINC001212848221 815156258 /nfs/dbraw/zinc/15/62/58/815156258.db2.gz GTYMTDIQMDEQMR-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM COc1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001173840433 808703724 /nfs/dbraw/zinc/70/37/24/808703724.db2.gz BSXGAXWNJQZPPF-UHFFFAOYSA-N -1 1 251.232 3.423 20 0 CGADMM COc1ccccc1Nc1cc([O-])c(F)c(F)c1 ZINC001173841038 808703815 /nfs/dbraw/zinc/70/38/15/808703815.db2.gz NJUMSMNVUUAXKY-UHFFFAOYSA-N -1 1 251.232 3.423 20 0 CGADMM COC(=O)c1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001173964961 808791288 /nfs/dbraw/zinc/79/12/88/808791288.db2.gz TVZRKAQRLLDNNL-UHFFFAOYSA-N -1 1 279.242 3.201 20 0 CGADMM CN(C)C(=O)c1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001174087655 808856032 /nfs/dbraw/zinc/85/60/32/808856032.db2.gz DMTMKEAAQZFIIZ-UHFFFAOYSA-N -1 1 292.285 3.116 20 0 CGADMM CSc1nc(Nc2ccc(OC(C)C)cc2)cc(=O)[n-]1 ZINC001174108064 808870173 /nfs/dbraw/zinc/87/01/73/808870173.db2.gz XPSFUWPJOYORNL-UHFFFAOYSA-N -1 1 291.376 3.435 20 0 CGADMM Cc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cn1 ZINC001174285503 808934018 /nfs/dbraw/zinc/93/40/18/808934018.db2.gz XJCYXUHKUAHXGM-UHFFFAOYSA-N -1 1 266.304 3.025 20 0 CGADMM [O-]c1c(F)cc(Nc2cccc3c2OCC[C@@H]3O)cc1F ZINC001213386672 815275625 /nfs/dbraw/zinc/27/56/25/815275625.db2.gz OCBXWUCTKKGQHV-ZDUSSCGKSA-N -1 1 293.269 3.230 20 0 CGADMM O=C(NC1CCCCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001290153110 809403563 /nfs/dbraw/zinc/40/35/63/809403563.db2.gz GOBIUHJDGZBBMX-UHFFFAOYSA-N -1 1 285.343 3.314 20 0 CGADMM CCN(c1ccc(NC(=O)c2ccc([O-])cn2)cc1)C(C)C ZINC001290602411 809411063 /nfs/dbraw/zinc/41/10/63/809411063.db2.gz VQWQDLHREPLUEQ-UHFFFAOYSA-N -1 1 299.374 3.274 20 0 CGADMM O=C(NC[C@H]1CCCc2ccccc21)c1ccc(F)c([O-])c1 ZINC001290694940 809412507 /nfs/dbraw/zinc/41/25/07/809412507.db2.gz IRDZXPKBHXCANX-CQSZACIVSA-N -1 1 299.345 3.381 20 0 CGADMM CC[C@@H](C)CN(CC)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001294314648 809466243 /nfs/dbraw/zinc/46/62/43/809466243.db2.gz RCJPNLMDOPJRPP-LLVKDONJSA-N -1 1 277.364 3.021 20 0 CGADMM CCNC(=O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001175634266 809482111 /nfs/dbraw/zinc/48/21/11/809482111.db2.gz YBAVMAVWYHJZBB-UHFFFAOYSA-N -1 1 292.285 3.164 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCCC12CCCCC2 ZINC001295143629 809482319 /nfs/dbraw/zinc/48/23/19/809482319.db2.gz SEDPNZJGANBRNL-UHFFFAOYSA-N -1 1 277.339 3.470 20 0 CGADMM CCn1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC001295294813 809484726 /nfs/dbraw/zinc/48/47/26/809484726.db2.gz GTIQRNALUSVTNI-UHFFFAOYSA-N -1 1 278.739 3.428 20 0 CGADMM CC[C@@H]1CCC[C@H]1CNC(=O)c1c([O-])cccc1F ZINC001298058729 809526783 /nfs/dbraw/zinc/52/67/83/809526783.db2.gz MCAWTLSMEBMFND-MNOVXSKESA-N -1 1 265.328 3.087 20 0 CGADMM CCc1ccc(NC(=O)c2cccc([O-])c2F)cc1OC ZINC001298021331 809527183 /nfs/dbraw/zinc/52/71/83/809527183.db2.gz UYEDJOVKWBJGNC-UHFFFAOYSA-N -1 1 289.306 3.355 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cnn(-c2ccccc2)c1 ZINC001175792168 809544460 /nfs/dbraw/zinc/54/44/60/809544460.db2.gz COIHNAHVUKFZFK-UHFFFAOYSA-N -1 1 286.722 3.370 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC001299249028 809547377 /nfs/dbraw/zinc/54/73/77/809547377.db2.gz MXEMZHNQMFALAU-VXGBXAGGSA-N -1 1 276.380 3.040 20 0 CGADMM CCCn1nc(C)cc1Nc1c([O-])cc(F)cc1F ZINC001175804057 809548100 /nfs/dbraw/zinc/54/81/00/809548100.db2.gz ZOTKESFIYCOCEP-UHFFFAOYSA-N -1 1 267.279 3.329 20 0 CGADMM CSc1cc(C)ccc1NC(=O)c1ccc([O-])cn1 ZINC001299451411 809550303 /nfs/dbraw/zinc/55/03/03/809550303.db2.gz AUGRIBMTWZRBJE-UHFFFAOYSA-N -1 1 274.345 3.070 20 0 CGADMM CCc1ccc(C(=O)N(C)c2ccsc2)c([O-])c1 ZINC001300073348 809559692 /nfs/dbraw/zinc/55/96/92/809559692.db2.gz MUGBYEKMZSKLEA-UHFFFAOYSA-N -1 1 261.346 3.293 20 0 CGADMM CSc1nc(Nc2cccc3c2ccn3C)cc(=O)[n-]1 ZINC001175866666 809561147 /nfs/dbraw/zinc/56/11/47/809561147.db2.gz LOHKRIZEYRTQFE-UHFFFAOYSA-N -1 1 286.360 3.139 20 0 CGADMM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(F)c([O-])c1)CC2 ZINC001300228214 809564093 /nfs/dbraw/zinc/56/40/93/809564093.db2.gz XRMYHOSLBKWYDA-OAHLLOKOSA-N -1 1 285.318 3.257 20 0 CGADMM Cc1noc(Nc2c(F)cc(F)c([O-])c2F)c1C ZINC001176662740 809737162 /nfs/dbraw/zinc/73/71/62/809737162.db2.gz VVWGTGVWPGQXMW-UHFFFAOYSA-N -1 1 258.199 3.158 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cn3ccccc3n2)c1F ZINC001176663333 809737292 /nfs/dbraw/zinc/73/72/92/809737292.db2.gz FMVBLVFBGMERGV-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM COc1ccc(CO)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671073 809739404 /nfs/dbraw/zinc/73/94/04/809739404.db2.gz SILUJAKRXPTJOE-UHFFFAOYSA-N -1 1 299.248 3.054 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001179503179 809925949 /nfs/dbraw/zinc/92/59/49/809925949.db2.gz AITDVRRRHBEJNV-ZFWWWQNUSA-N -1 1 289.350 3.182 20 0 CGADMM CCC1(CC)C[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001181888820 810081004 /nfs/dbraw/zinc/08/10/04/810081004.db2.gz YRQXKBVKQFGELG-AWEZNQCLSA-N -1 1 299.374 3.343 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2ccc([O-])c(F)c2)cc1C ZINC001186220179 810321005 /nfs/dbraw/zinc/32/10/05/810321005.db2.gz ZKIPBIWTDMCAIN-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM CC(C)c1cccnc1NC(=O)c1c(F)ccc([O-])c1F ZINC001192525937 810804425 /nfs/dbraw/zinc/80/44/25/810804425.db2.gz CMBJSPOBMJDURO-UHFFFAOYSA-N -1 1 292.285 3.441 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)OC1CCCC1 ZINC001193557714 810908174 /nfs/dbraw/zinc/90/81/74/810908174.db2.gz UNZOSJZRHDUFEE-UHFFFAOYSA-N -1 1 257.236 3.162 20 0 CGADMM CC(C)COC(=O)Nc1cccc([O-])c1Br ZINC001193844940 810966781 /nfs/dbraw/zinc/96/67/81/810966781.db2.gz ANCGUXYNUHXVMP-UHFFFAOYSA-N -1 1 288.141 3.359 20 0 CGADMM Cc1ccc(O)c(Nc2cc(F)c([O-])c(Cl)c2)n1 ZINC001214480221 815415006 /nfs/dbraw/zinc/41/50/06/815415006.db2.gz PODMVAPJZIXCQS-UHFFFAOYSA-N -1 1 268.675 3.337 20 0 CGADMM NC(=O)c1cc(F)ccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214489960 815417597 /nfs/dbraw/zinc/41/75/97/815417597.db2.gz KNCNQEYKJOAFLA-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM CC[C@H](C)COC(=O)Nc1cc([O-])c(F)cc1F ZINC001194801059 811138324 /nfs/dbraw/zinc/13/83/24/811138324.db2.gz RPWFNDXBSPIKGP-ZETCQYMHSA-N -1 1 259.252 3.265 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])Oc1ccc(F)cc1 ZINC001195035628 811189161 /nfs/dbraw/zinc/18/91/61/811189161.db2.gz MBZQXFDTYZXXNP-UHFFFAOYSA-N -1 1 265.215 3.281 20 0 CGADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1cccc(C2CC2)n1 ZINC001195047852 811190379 /nfs/dbraw/zinc/19/03/79/811190379.db2.gz INYVLLGRZCHNHF-UHFFFAOYSA-N -1 1 298.484 3.039 20 0 CGADMM CCCC1CCN(C(=O)c2cc([O-])cnc2Cl)CC1 ZINC001195306023 811240956 /nfs/dbraw/zinc/24/09/56/811240956.db2.gz SUNOMNCSNQAFAU-UHFFFAOYSA-N -1 1 282.771 3.093 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2cc3ccccc3cc2O)n1 ZINC001195326076 811242118 /nfs/dbraw/zinc/24/21/18/811242118.db2.gz LTPQBHJHFNYLON-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM [O-]c1cc(Nc2cccc(F)c2CO)cc(F)c1F ZINC001214616789 815433538 /nfs/dbraw/zinc/43/35/38/815433538.db2.gz MSBZAHUYZFZPGR-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM O=c1cc(Nc2ccc(Cl)c(O)c2F)nc(Cl)[n-]1 ZINC001214796147 815453127 /nfs/dbraw/zinc/45/31/27/815453127.db2.gz HLWOULCQUFRBAX-UHFFFAOYSA-N -1 1 290.081 3.077 20 0 CGADMM CCOc1ncc([N-]c2nnc(-c3ccco3)o2)cc1C ZINC001214929283 815461621 /nfs/dbraw/zinc/46/16/21/815461621.db2.gz YDLDPQORUPXPFB-UHFFFAOYSA-N -1 1 286.291 3.175 20 0 CGADMM COc1cccc(NC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001202276346 812055655 /nfs/dbraw/zinc/05/56/55/812055655.db2.gz STNUCRAFWBDBPK-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM CC(=O)c1cccc(-c2noc(-c3c([O-])cccc3O)n2)c1 ZINC001215301889 815505561 /nfs/dbraw/zinc/50/55/61/815505561.db2.gz JWERDRVFLLPJDU-UHFFFAOYSA-N -1 1 296.282 3.017 20 0 CGADMM Cc1ccncc1-c1noc(-c2ccc([O-])cc2Cl)n1 ZINC001215345656 815508288 /nfs/dbraw/zinc/50/82/88/815508288.db2.gz BZNZBZVPSVLZET-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM Cc1cnccc1-c1noc(-c2ccc([O-])cc2Cl)n1 ZINC001215345798 815508382 /nfs/dbraw/zinc/50/83/82/815508382.db2.gz KXPYXATZEHEIPO-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CCc1nc(OC)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001203590798 812403919 /nfs/dbraw/zinc/40/39/19/812403919.db2.gz ZJRKNHBPEMPAJI-UHFFFAOYSA-N -1 1 280.274 3.380 20 0 CGADMM Cc1cc(O)cc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001215519455 815528142 /nfs/dbraw/zinc/52/81/42/815528142.db2.gz DUQQJGOENPOFAS-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM Cc1cccc(O)c1Nc1cc(F)c([O-])cc1F ZINC001215573933 815538191 /nfs/dbraw/zinc/53/81/91/815538191.db2.gz URSSKSXGFDUDFH-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM [O-]c1cc(F)c(Nc2ccccc2C2OCCO2)cc1F ZINC001215576754 815539984 /nfs/dbraw/zinc/53/99/84/815539984.db2.gz HGYMYJDOULNXTK-UHFFFAOYSA-N -1 1 293.269 3.459 20 0 CGADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cnc2ccnn2c1 ZINC001204807472 812742840 /nfs/dbraw/zinc/74/28/40/812742840.db2.gz DBDXMUBUTDHJKR-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc(F)c(CO)c1F ZINC001215654579 815555226 /nfs/dbraw/zinc/55/52/26/815555226.db2.gz ZQUARDFRHFRIKP-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM Cc1ncccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001205429885 812980799 /nfs/dbraw/zinc/98/07/99/812980799.db2.gz QSKAPNOSHUKSCC-UHFFFAOYSA-N -1 1 266.304 3.025 20 0 CGADMM COc1ccc(Nc2cc(F)c([O-])cc2F)c2c[nH]nc21 ZINC001215752446 815575717 /nfs/dbraw/zinc/57/57/17/815575717.db2.gz QDCQLQAFCZHZJU-UHFFFAOYSA-N -1 1 291.257 3.299 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cc(O)cc(F)c1 ZINC001206822671 813446502 /nfs/dbraw/zinc/44/65/02/813446502.db2.gz OOBIOKDTIFJDJR-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM [O-]c1cc(Nc2cccc(F)c2O)cc(F)c1F ZINC001210199329 814335581 /nfs/dbraw/zinc/33/55/81/814335581.db2.gz DYHHXKFKMBVZHZ-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM Cc1c2cn(-c3cccc(Cl)c3[O-])nc2ccc1N ZINC001210218783 814346585 /nfs/dbraw/zinc/34/65/85/814346585.db2.gz FZEGEZREDYZYGM-UHFFFAOYSA-N -1 1 273.723 3.275 20 0 CGADMM C[C@H](O)c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001210508725 814498335 /nfs/dbraw/zinc/49/83/35/814498335.db2.gz PTWBZBGMGBGEJM-QMMMGPOBSA-N -1 1 265.259 3.467 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1cccc(F)c1Cl ZINC001210539616 814515182 /nfs/dbraw/zinc/51/51/82/814515182.db2.gz FZZOYJNPOVQJMI-UHFFFAOYSA-N -1 1 284.674 3.387 20 0 CGADMM COc1ccc(-c2cc([N-]c3cnoc3C)on2)cc1 ZINC001210579265 814539157 /nfs/dbraw/zinc/53/91/57/814539157.db2.gz QIUYEYWHVFSTNU-UHFFFAOYSA-N -1 1 271.276 3.390 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccccc1-n1cccn1 ZINC001210734955 814601711 /nfs/dbraw/zinc/60/17/11/814601711.db2.gz ISSXDIQRLYBLFR-UHFFFAOYSA-N -1 1 286.722 3.370 20 0 CGADMM CCc1cccc(C)c1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001210875769 814661210 /nfs/dbraw/zinc/66/12/10/814661210.db2.gz OZSJSBQMVMCRHE-UHFFFAOYSA-N -1 1 267.332 3.184 20 0 CGADMM Nc1ccc2ccc(-c3cccc([O-])c3Cl)nc2n1 ZINC001242799288 823135879 /nfs/dbraw/zinc/13/58/79/823135879.db2.gz CZZLJLNCRXABOO-UHFFFAOYSA-N -1 1 271.707 3.238 20 0 CGADMM COc1cc(OC)nc(-c2cccc([O-])c2Cl)c1 ZINC001242797515 823135151 /nfs/dbraw/zinc/13/51/51/823135151.db2.gz JLYHJRCLOPPCCU-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM COC(=O)c1ccc(N=C(C)c2ccccc2)c([O-])c1 ZINC001210987208 814699548 /nfs/dbraw/zinc/69/95/48/814699548.db2.gz HNGRUFNUGMDOFG-UHFFFAOYSA-N -1 1 269.300 3.262 20 0 CGADMM Cc1nc2cc(-c3cccc([O-])c3Cl)ccn2n1 ZINC001242800530 823136803 /nfs/dbraw/zinc/13/68/03/823136803.db2.gz JVONGNWPIHBHAF-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1cc(OCC)ccc1F ZINC001211050171 814721778 /nfs/dbraw/zinc/72/17/78/814721778.db2.gz GWHHTYCVOHQAGY-UHFFFAOYSA-N -1 1 294.282 3.133 20 0 CGADMM Cc1cnc2ncc(-c3cccc([O-])c3Cl)cc2n1 ZINC001242800738 823137031 /nfs/dbraw/zinc/13/70/31/823137031.db2.gz SEJCCADCFFNGKK-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM NC(=O)c1cc2ccccc2c(-c2cccc([O-])c2Cl)n1 ZINC001242801869 823137139 /nfs/dbraw/zinc/13/71/39/823137139.db2.gz ZTZYODUPIVYUCX-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM CN1Cc2ccc(-c3cccc([O-])c3Cl)cc2C1=O ZINC001242801317 823137220 /nfs/dbraw/zinc/13/72/20/823137220.db2.gz YCJFNXXCTPNPND-UHFFFAOYSA-N -1 1 273.719 3.298 20 0 CGADMM Nc1nonc1[N-]c1ccc(-c2ccc(F)cc2)cc1 ZINC001211198557 814846221 /nfs/dbraw/zinc/84/62/21/814846221.db2.gz LIGONSFDPMAZFV-UHFFFAOYSA-N -1 1 270.267 3.202 20 0 CGADMM NC(=O)c1cc(-c2cccc([O-])c2Cl)cc2cc[nH]c21 ZINC001242803063 823137726 /nfs/dbraw/zinc/13/77/26/823137726.db2.gz LVKXHFSZQOLOFH-UHFFFAOYSA-N -1 1 286.718 3.293 20 0 CGADMM CC(C)NC(=O)c1cncc(-c2cccc([O-])c2Cl)c1 ZINC001242802461 823137844 /nfs/dbraw/zinc/13/78/44/823137844.db2.gz IUHVRORXKNJQOA-UHFFFAOYSA-N -1 1 290.750 3.246 20 0 CGADMM CC(=O)Nc1ncc(C)cc1-c1cccc([O-])c1Cl ZINC001242803620 823138502 /nfs/dbraw/zinc/13/85/02/823138502.db2.gz VAIBTHZLHPKCPN-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM CC(=O)Nc1ncc(-c2cccc([O-])c2Cl)cc1C ZINC001242803260 823138594 /nfs/dbraw/zinc/13/85/94/823138594.db2.gz XOGOTWYRAZZYTI-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM COC(=O)c1cccc(C)c1-c1cc(F)c([O-])cc1F ZINC001211350911 814884659 /nfs/dbraw/zinc/88/46/59/814884659.db2.gz YEVYZELNWDDZMU-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM C[S@@](=N)(=O)c1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211353101 814884782 /nfs/dbraw/zinc/88/47/82/814884782.db2.gz TYXCZGGZOPLOMZ-LJQANCHMSA-N -1 1 283.299 3.373 20 0 CGADMM COC(=O)Cc1ccc(-c2cc(F)c([O-])cc2F)cc1F ZINC001211359457 814885268 /nfs/dbraw/zinc/88/52/68/814885268.db2.gz HPTUFXWUWULAPG-UHFFFAOYSA-N -1 1 296.244 3.192 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3ccnnc3c2)cc1F ZINC001211353308 814885499 /nfs/dbraw/zinc/88/54/99/814885499.db2.gz UURKUJYVMBLDRC-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCCOc1ccccc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001211385391 814888347 /nfs/dbraw/zinc/88/83/47/814888347.db2.gz MPOLWXWVDMHFCW-UHFFFAOYSA-N -1 1 283.331 3.102 20 0 CGADMM Nc1ccc2[nH]c(=S)n(-c3c([O-])cccc3Cl)c2c1 ZINC001215986746 815652027 /nfs/dbraw/zinc/65/20/27/815652027.db2.gz PNGVVFDUJGIVQF-UHFFFAOYSA-N -1 1 291.763 3.255 20 0 CGADMM Cc1cc(Nc2ccnc(Cl)c2[O-])cc(O)c1F ZINC001216078746 815684375 /nfs/dbraw/zinc/68/43/75/815684375.db2.gz CKQURUCTSBLOPI-UHFFFAOYSA-N -1 1 268.675 3.337 20 0 CGADMM Cc1c(O)cccc1Nc1c([O-])cc(F)cc1F ZINC001216319656 815779734 /nfs/dbraw/zinc/77/97/34/815779734.db2.gz DHOPCJIJEBMJLS-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM [O-]c1cc(F)cc(-c2nc(-c3cccc(F)c3)no2)c1 ZINC001216336543 815789653 /nfs/dbraw/zinc/78/96/53/815789653.db2.gz WVQGZFOMDIJHHY-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CN(C)c1ccc(-c2noc(-c3cc([O-])cc(F)c3)n2)cc1 ZINC001216339754 815791953 /nfs/dbraw/zinc/79/19/53/815791953.db2.gz LEKGVSFULRYOHB-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM CCOCc1cncc(-c2cc(F)c([O-])cc2F)c1 ZINC001222083057 816343473 /nfs/dbraw/zinc/34/34/73/816343473.db2.gz LHVWMFSAECGPCG-UHFFFAOYSA-N -1 1 265.259 3.269 20 0 CGADMM [O-]c1cc(F)c(-c2cc(F)c3nccn3c2)cc1F ZINC001222082784 816343612 /nfs/dbraw/zinc/34/36/12/816343612.db2.gz HOBXQOUSBPBJHT-UHFFFAOYSA-N -1 1 264.206 3.124 20 0 CGADMM CC(C)CC(CC(C)C)OCCCC[P@](=O)([O-])O ZINC001225023682 816933798 /nfs/dbraw/zinc/93/37/98/816933798.db2.gz ZQURGFRCDGROAN-UHFFFAOYSA-N -1 1 280.345 3.422 20 0 CGADMM CCCCC[C@@H](CC)OCCCC[P@](=O)([O-])O ZINC001225022731 816934466 /nfs/dbraw/zinc/93/44/66/816934466.db2.gz RBPUAIXLWRFQFA-GFCCVEGCSA-N -1 1 266.318 3.320 20 0 CGADMM CCC[C@H](C)[C@H](OCCCC[P@](=O)([O-])O)C(C)C ZINC001225019477 816935039 /nfs/dbraw/zinc/93/50/39/816935039.db2.gz XAMBTKVWQPBFDY-QWHCGFSZSA-N -1 1 280.345 3.422 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H](C(C)=O)c1ccccc1 ZINC001225619393 817115640 /nfs/dbraw/zinc/11/56/40/817115640.db2.gz UONMEXNFRIFJJJ-KRWDZBQOSA-N -1 1 284.311 3.304 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCC[C@H](C)C1 ZINC001225679963 817139943 /nfs/dbraw/zinc/13/99/43/817139943.db2.gz SUGMURUVWVUGHD-JOYOIKCWSA-N -1 1 264.321 3.258 20 0 CGADMM C[C@@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1cccc(Cl)c1 ZINC001225763085 817170386 /nfs/dbraw/zinc/17/03/86/817170386.db2.gz UJSCLGDUJPWNIF-SSDOTTSWSA-N -1 1 282.752 3.264 20 0 CGADMM C[C@H](Cc1ccco1)Oc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001226184417 817292355 /nfs/dbraw/zinc/29/23/55/817292355.db2.gz FHBNBQJEAWSMEN-GFCCVEGCSA-N -1 1 296.326 3.452 20 0 CGADMM CCCOC[C@@H](C)Oc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001226184743 817292704 /nfs/dbraw/zinc/29/27/04/817292704.db2.gz KBCBCXWFFJDIEK-GFCCVEGCSA-N -1 1 288.347 3.043 20 0 CGADMM CC[C@H](Oc1cc([O-])ccc1C(=O)COC)C(C)C ZINC001227171308 817578589 /nfs/dbraw/zinc/57/85/89/817578589.db2.gz BKWUKGKUWRFJSM-AWEZNQCLSA-N -1 1 266.337 3.035 20 0 CGADMM O=C1CC[C@@H](Oc2[n-]c(=S)ncc2F)c2ccccc21 ZINC001227383072 817636670 /nfs/dbraw/zinc/63/66/70/817636670.db2.gz JBCJNMHAQNUOQE-GFCCVEGCSA-N -1 1 290.319 3.001 20 0 CGADMM Cc1ccccc1OC[C@H](C)Oc1[n-]c(=S)ncc1F ZINC001227386255 817637089 /nfs/dbraw/zinc/63/70/89/817637089.db2.gz ORAHDHFOLAWSNG-JTQLQIEISA-N -1 1 294.351 3.059 20 0 CGADMM C[C@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)c1ccc(F)cc1 ZINC001227709241 817699339 /nfs/dbraw/zinc/69/93/39/817699339.db2.gz CANVVWNLJFWKQY-DTWKUNHWSA-N -1 1 290.294 3.053 20 0 CGADMM CSc1nc(O[C@H]2CCc3c2cccc3C)cc(=O)[n-]1 ZINC001228089033 817809027 /nfs/dbraw/zinc/80/90/27/817809027.db2.gz AJGPMIVZHGMJAK-LBPRGKRZSA-N -1 1 288.372 3.279 20 0 CGADMM CCC[C@@H](Oc1cnnc(=S)[n-]1)c1ccc(OC)cc1 ZINC001228636324 817958516 /nfs/dbraw/zinc/95/85/16/817958516.db2.gz LOYCPOFUFAFUHM-GFCCVEGCSA-N -1 1 291.376 3.089 20 0 CGADMM [O-]c1cc(CN2CCC(F)(F)[C@@H](F)C2)ccc1Cl ZINC001231732928 818160863 /nfs/dbraw/zinc/16/08/63/818160863.db2.gz JYSLLDIALYDYJQ-NSHDSACASA-N -1 1 279.689 3.225 20 0 CGADMM [O-]c1cc(CN2CCC[C@H]2c2ncccn2)ccc1Cl ZINC001231735010 818164459 /nfs/dbraw/zinc/16/44/59/818164459.db2.gz IEPDPUHZCWNYQO-ZDUSSCGKSA-N -1 1 289.766 3.173 20 0 CGADMM CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1cccc([O-])c1Cl ZINC001232788579 818440897 /nfs/dbraw/zinc/44/08/97/818440897.db2.gz DVFIGIQRPWLYPO-HZMBPMFUSA-N -1 1 299.798 3.065 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCc2ccsc2C1 ZINC001233035088 818504003 /nfs/dbraw/zinc/50/40/03/818504003.db2.gz XFDUHCVMMCWWHT-UHFFFAOYSA-N -1 1 280.780 3.060 20 0 CGADMM COCOc1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243341314 823355810 /nfs/dbraw/zinc/35/58/10/823355810.db2.gz NRTLTOAXSCTYDO-UHFFFAOYSA-N -1 1 266.243 3.320 20 0 CGADMM COc1cc(F)c(-c2ccc([O-])c(F)c2F)c(OC)c1 ZINC001243342152 823357356 /nfs/dbraw/zinc/35/73/56/823357356.db2.gz DCHQBASEWNYTHF-UHFFFAOYSA-N -1 1 284.233 3.494 20 0 CGADMM CCOC(=O)Cc1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243342456 823357374 /nfs/dbraw/zinc/35/73/74/823357374.db2.gz NXSWBSPKOBWANZ-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM [O-]c1ccc(-c2cnc3scnc3c2)c(F)c1F ZINC001243342353 823357623 /nfs/dbraw/zinc/35/76/23/823357623.db2.gz HWBUIQMFRLXKGK-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM COc1ncc(-c2ccc([O-])c(F)c2F)cc1C ZINC001243342158 823357777 /nfs/dbraw/zinc/35/77/77/823357777.db2.gz JONIUNOQLGOZQE-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COC(=O)c1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243342330 823357801 /nfs/dbraw/zinc/35/78/01/823357801.db2.gz HAXITJVWLMNPQV-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM Cc1cc2c(nccc2-c2ccc([O-])c(F)c2F)[nH]1 ZINC001243343070 823359414 /nfs/dbraw/zinc/35/94/14/823359414.db2.gz VXTNAHAFOORCCQ-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM [O-]c1ccc(-c2cccc3c2OCO3)c(F)c1F ZINC001243343095 823359614 /nfs/dbraw/zinc/35/96/14/823359614.db2.gz WXLIJHWOXAHJOV-UHFFFAOYSA-N -1 1 250.200 3.066 20 0 CGADMM C[C@H](Oc1nc2sccc2[n-]1)c1ncccc1F ZINC001234847372 818931632 /nfs/dbraw/zinc/93/16/32/818931632.db2.gz IGKLFSCVRZKMFT-ZETCQYMHSA-N -1 1 263.297 3.299 20 0 CGADMM Cc1cc(-c2ccc(C(=O)[O-])cc2)cc2nc[nH]c21 ZINC001236058038 819292786 /nfs/dbraw/zinc/29/27/86/819292786.db2.gz IFGYZDSPHYGTOB-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM Cc1ccc(F)c(-c2ncnc3ccccc32)c1[O-] ZINC001236389878 819445854 /nfs/dbraw/zinc/44/58/54/819445854.db2.gz HBWFJJDXGATFMH-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM CCOc1cc(-c2c(F)ccc(C)c2[O-])nc(C)n1 ZINC001236390655 819447318 /nfs/dbraw/zinc/44/73/18/819447318.db2.gz GGKPRMPCIZWNLC-UHFFFAOYSA-N -1 1 262.284 3.004 20 0 CGADMM CSc1ncc(C)c(-c2c(F)ccc(C)c2[O-])n1 ZINC001236392033 819447674 /nfs/dbraw/zinc/44/76/74/819447674.db2.gz KVHSZADCRKIHQV-UHFFFAOYSA-N -1 1 264.325 3.327 20 0 CGADMM CCOC(=O)Cc1cccnc1-c1c(F)ccc(C)c1[O-] ZINC001236391439 819447884 /nfs/dbraw/zinc/44/78/84/819447884.db2.gz NCMTYSVPACVSFI-UHFFFAOYSA-N -1 1 289.306 3.007 20 0 CGADMM COc1nnc(-c2c(F)ccc(C)c2[O-])c2ccccc21 ZINC001236393492 819448863 /nfs/dbraw/zinc/44/88/63/819448863.db2.gz VRGZIGLOLMSMSL-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM O=c1ccc2cccc(-c3cc(F)cc(F)c3[O-])c2o1 ZINC001243503292 823422331 /nfs/dbraw/zinc/42/23/31/823422331.db2.gz UQMFZAPPLCIBHB-UHFFFAOYSA-N -1 1 274.222 3.444 20 0 CGADMM CCOC(=O)c1cc(-c2cc(F)cc(F)c2[O-])cnc1F ZINC001243506871 823424721 /nfs/dbraw/zinc/42/47/21/823424721.db2.gz MNOUZTFDXQNFAW-UHFFFAOYSA-N -1 1 297.232 3.048 20 0 CGADMM CCOC(=O)c1cc(C)c(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243507324 823424771 /nfs/dbraw/zinc/42/47/71/823424771.db2.gz XFNNEOMQOOPREL-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COc1cc(C)c(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243505224 823423050 /nfs/dbraw/zinc/42/30/50/823423050.db2.gz XTFYXKRQKLYLTB-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM COC(=O)c1cc(F)ccc1-c1cc(F)cc(F)c1[O-] ZINC001243504576 823423136 /nfs/dbraw/zinc/42/31/36/823423136.db2.gz RWRHFBJUFDTGBK-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM CCOc1ncc(-c2cc(F)cc(F)c2[O-])cc1OC ZINC001243505123 823423276 /nfs/dbraw/zinc/42/32/76/823423276.db2.gz DEFOJCYWWWYILH-UHFFFAOYSA-N -1 1 281.258 3.140 20 0 CGADMM COCc1cc(-c2ccc(Cl)c([O-])c2)nc(SC)n1 ZINC001243576137 823451352 /nfs/dbraw/zinc/45/13/52/823451352.db2.gz HSWZEYJRYVIPDI-UHFFFAOYSA-N -1 1 296.779 3.371 20 0 CGADMM Cc1c(-c2ccc(Cl)c([O-])c2)ccc2ncnn21 ZINC001243578821 823452949 /nfs/dbraw/zinc/45/29/49/823452949.db2.gz TZFPIVSKBZPRFC-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM Cc1cc(-c2nn[nH]n2)ccc1-c1ccc(Cl)c([O-])c1 ZINC001243581104 823454058 /nfs/dbraw/zinc/45/40/58/823454058.db2.gz BUJABUIUOXURRD-UHFFFAOYSA-N -1 1 286.722 3.201 20 0 CGADMM [O-]c1cc(-c2cnc(OC3CCC3)cn2)ccc1Cl ZINC001243584624 823456066 /nfs/dbraw/zinc/45/60/66/823456066.db2.gz UXDFXDRAOWLBDJ-UHFFFAOYSA-N -1 1 276.723 3.434 20 0 CGADMM Cc1cc2c(c(-c3csc4ccccc34)n1)C(=O)[N-]C2=O ZINC001238888371 820150156 /nfs/dbraw/zinc/15/01/56/820150156.db2.gz TZRKRBNMJYUWPW-UHFFFAOYSA-N -1 1 294.335 3.155 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc(F)c3F)cc2[n-]1 ZINC001239706238 820534171 /nfs/dbraw/zinc/53/41/71/820534171.db2.gz NWZUEUNVGQJWGI-UHFFFAOYSA-N -1 1 288.253 3.295 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc(F)c3F)ccc2[n-]1 ZINC001239706238 820534179 /nfs/dbraw/zinc/53/41/79/820534179.db2.gz NWZUEUNVGQJWGI-UHFFFAOYSA-N -1 1 288.253 3.295 20 0 CGADMM [O-]c1ccc(F)cc1-c1cnc2cc(F)ccc2n1 ZINC001240693540 821249123 /nfs/dbraw/zinc/24/91/23/821249123.db2.gz UJLAGHQKNQLHHJ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1ccc(F)cc1-c1ncccc1-n1cccc1 ZINC001240694185 821249376 /nfs/dbraw/zinc/24/93/76/821249376.db2.gz PPXYWUJHWSTYHN-UHFFFAOYSA-N -1 1 254.264 3.384 20 0 CGADMM CC[C@H](C)Oc1nccnc1-c1cc(F)ccc1[O-] ZINC001240696519 821252644 /nfs/dbraw/zinc/25/26/44/821252644.db2.gz QNHMOQWPUKXSSY-VIFPVBQESA-N -1 1 262.284 3.166 20 0 CGADMM CSc1ncc2c(ccnc2-c2ccc([O-])c(F)c2)n1 ZINC001240782997 821320767 /nfs/dbraw/zinc/32/07/67/821320767.db2.gz MIGMMJVAFQAZAB-UHFFFAOYSA-N -1 1 287.319 3.258 20 0 CGADMM [O-]c1ccc(-c2ncnc3cc(F)ccc32)cc1F ZINC001240783439 821323094 /nfs/dbraw/zinc/32/30/94/821323094.db2.gz QQJXVQZIDOTYAL-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1nc(-c2ccc([O-])c(F)c2)ncc1C(F)(F)F ZINC001240783671 821323217 /nfs/dbraw/zinc/32/32/17/821323217.db2.gz XLODJJLWULRRJP-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM COc1nnc(-c2ccc([O-])c(F)c2)c2ccccc21 ZINC001240783653 821323429 /nfs/dbraw/zinc/32/34/29/821323429.db2.gz XJTCQDNUYJOPNN-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM [O-]c1cc(F)c(-c2cnc(-c3ccco3)cn2)c(F)c1 ZINC001241116914 821571470 /nfs/dbraw/zinc/57/14/70/821571470.db2.gz HGACACJMYGWVLC-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM [O-]c1cc(F)c(-c2ccnc(-c3cccnc3)n2)c(F)c1 ZINC001241118101 821573368 /nfs/dbraw/zinc/57/33/68/821573368.db2.gz HHBYRIVJGJIXKV-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM Cc1cn2cc(-c3c(F)cc([O-])cc3F)ccc2n1 ZINC001241120986 821576734 /nfs/dbraw/zinc/57/67/34/821576734.db2.gz WRMNHTFWGJTUQV-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM CC(=O)Nc1ccc(F)cc1-c1c(F)cc([O-])cc1F ZINC001241121659 821578906 /nfs/dbraw/zinc/57/89/06/821578906.db2.gz ADTCEBAOUPUVSZ-UHFFFAOYSA-N -1 1 281.233 3.435 20 0 CGADMM COC(=N)c1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241123065 821579653 /nfs/dbraw/zinc/57/96/53/821579653.db2.gz SUOZIISWXJLIGG-UHFFFAOYSA-N -1 1 263.243 3.309 20 0 CGADMM COc1nc(-c2cc([O-])cc(F)c2)ncc1C(F)(F)F ZINC001241263143 821682411 /nfs/dbraw/zinc/68/24/11/821682411.db2.gz YRTKQCDEXQWHMW-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM CCOc1cc(-c2c(F)ccc([O-])c2F)nc(SC)n1 ZINC001241290783 821707645 /nfs/dbraw/zinc/70/76/45/821707645.db2.gz DNZYFICICQPFFV-UHFFFAOYSA-N -1 1 298.314 3.248 20 0 CGADMM [O-]c1ccc(F)c(-c2cc(C(F)(F)F)ncn2)c1F ZINC001241290901 821708367 /nfs/dbraw/zinc/70/83/67/821708367.db2.gz QXMNUCRZTQHFII-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM Cc1cc(C(F)(F)F)nc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291457 821708516 /nfs/dbraw/zinc/70/85/16/821708516.db2.gz LLPWDMJSZWGIDX-UHFFFAOYSA-N -1 1 290.191 3.455 20 0 CGADMM Cc1cc(C)c(-c2ccc([P@@](=O)([O-])O)cc2)cc1C ZINC001241635062 822013878 /nfs/dbraw/zinc/01/38/78/822013878.db2.gz FCXFSHAGJMZNFO-UHFFFAOYSA-N -1 1 276.272 3.082 20 0 CGADMM Cc1cc(C)c(-c2ccc([P@](=O)([O-])O)cc2)cc1C ZINC001241635062 822013887 /nfs/dbraw/zinc/01/38/87/822013887.db2.gz FCXFSHAGJMZNFO-UHFFFAOYSA-N -1 1 276.272 3.082 20 0 CGADMM Cc1[nH]nc2cc(-c3ccccc3C(=O)[O-])ccc12 ZINC001241638021 822017559 /nfs/dbraw/zinc/01/75/59/822017559.db2.gz JBHHVDSGLYGCIS-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM Cc1nc(-c2ccc([O-])c(C(F)(F)F)c2)nc2[nH]cnc21 ZINC001242151028 822895436 /nfs/dbraw/zinc/89/54/36/822895436.db2.gz DMBKNCDZYZAVQS-UHFFFAOYSA-N -1 1 294.236 3.004 20 0 CGADMM [O-]c1cc(F)ccc1-c1cncnc1C(F)(F)F ZINC001242221769 822917405 /nfs/dbraw/zinc/91/74/05/822917405.db2.gz XHVBRZDXFMJPJK-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc(C)c3F)cc2[n-]1 ZINC001242237737 822921495 /nfs/dbraw/zinc/92/14/95/822921495.db2.gz BSQWNWBJFUKSFZ-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc(C)c3F)ccc2[n-]1 ZINC001242237737 822921497 /nfs/dbraw/zinc/92/14/97/822921497.db2.gz BSQWNWBJFUKSFZ-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM COC(=O)c1cc(-c2cccc(F)c2[O-])c(F)cc1OC ZINC001242351936 822962069 /nfs/dbraw/zinc/96/20/69/822962069.db2.gz CMFBOHRGFXAMLE-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM COCOc1ccc(-c2cccc(Cl)c2[O-])cn1 ZINC001242368199 822969976 /nfs/dbraw/zinc/96/99/76/822969976.db2.gz ZSALPKHAWKJIEY-UHFFFAOYSA-N -1 1 265.696 3.090 20 0 CGADMM CC(C)(C)SCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000398282440 926942377 /nfs/dbraw/zinc/94/23/77/926942377.db2.gz APPHXCKBGNUHAJ-UHFFFAOYSA-N -1 1 287.812 3.307 20 0 CGADMM CCC(C)(C)c1ccccc1C(=O)Nc1c[n-][nH]c1=O ZINC001363118376 937231138 /nfs/dbraw/zinc/23/11/38/937231138.db2.gz IHPLIZJRGXZLTD-UHFFFAOYSA-N -1 1 273.336 3.055 20 0 CGADMM CCOc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001440568734 937331393 /nfs/dbraw/zinc/33/13/93/937331393.db2.gz GLMFDYKKNZPTDZ-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM COc1ccc(Cl)cc1NC(=O)c1cccc([O-])c1F ZINC001440580874 937331503 /nfs/dbraw/zinc/33/15/03/937331503.db2.gz WWRJCGONPHMHNU-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM Cc1cnc(C(=O)NCC[C@H]2CCCC[C@H]2C)c([O-])c1 ZINC001444057797 937350155 /nfs/dbraw/zinc/35/01/55/937350155.db2.gz MDSIHVDJEKAKME-CHWSQXEVSA-N -1 1 276.380 3.042 20 0 CGADMM Cc1cnc(C(=O)NCC[C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC001444057798 937350162 /nfs/dbraw/zinc/35/01/62/937350162.db2.gz MDSIHVDJEKAKME-OLZOCXBDSA-N -1 1 276.380 3.042 20 0 CGADMM COc1cc(C)sc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001451737757 937391870 /nfs/dbraw/zinc/39/18/70/937391870.db2.gz APIKSXFVGYVPOC-UHFFFAOYSA-N -1 1 299.298 3.301 20 0 CGADMM Cc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001452148120 937393925 /nfs/dbraw/zinc/39/39/25/937393925.db2.gz KRTVVMQJBCUBMT-DZGCQCFKSA-N -1 1 285.318 3.126 20 0 CGADMM Cc1cscc1C(=O)Nc1cccc(F)c1[O-] ZINC001454753747 937412244 /nfs/dbraw/zinc/41/22/44/937412244.db2.gz GIIIJRAGPQLCAV-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM C[C@@H]1CCC[C@H](C(=O)[N-]Oc2ccccc2F)C1 ZINC001455475684 937417719 /nfs/dbraw/zinc/41/77/19/937417719.db2.gz LGUQZTXBGSIIIN-MNOVXSKESA-N -1 1 251.301 3.062 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cc(C)cc(C)n2)n1 ZINC001458791862 937474173 /nfs/dbraw/zinc/47/41/73/937474173.db2.gz FZPASTGWQJLXMO-UHFFFAOYSA-N -1 1 289.404 3.439 20 0 CGADMM O=c1ccc2c(O[C@H]3CC4CCC3CC4)cc([O-])cc2o1 ZINC001229135591 932103736 /nfs/dbraw/zinc/10/37/36/932103736.db2.gz NWOLNYCVYZHXMY-MGULZYLOSA-N -1 1 286.327 3.456 20 0 CGADMM COc1cc2ccc(=O)oc2c(O[C@H]2CC[C@@H](C)C2)c1[O-] ZINC001229218530 932118086 /nfs/dbraw/zinc/11/80/86/932118086.db2.gz NPOXKMJRPPTNRR-KOLCDFICSA-N -1 1 290.315 3.075 20 0 CGADMM C=CC(=O)OC[C@@H](C)Oc1cc([O-])c(Cl)cc1Cl ZINC001229411989 932148002 /nfs/dbraw/zinc/14/80/02/932148002.db2.gz XLJASPDMUQNSEB-SSDOTTSWSA-N -1 1 291.130 3.196 20 0 CGADMM CC[C@@]1(C)CCN(Cc2ncc(Br)cc2[O-])C1 ZINC001461921596 937606351 /nfs/dbraw/zinc/60/63/51/937606351.db2.gz UKUBLIFLZOFFCF-ZDUSSCGKSA-N -1 1 299.212 3.172 20 0 CGADMM COC(=O)c1c[n-]c(O[C@H](C)c2csc(Cl)c2)n1 ZINC001230279687 932551199 /nfs/dbraw/zinc/55/11/99/932551199.db2.gz HKCRLYPWSPIVOY-ZCFIWIBFSA-N -1 1 286.740 3.051 20 0 CGADMM CCC[C@H](C)[C@H](Oc1nc(C(=O)OC)c[n-]1)C(C)C ZINC001230282017 932551347 /nfs/dbraw/zinc/55/13/47/932551347.db2.gz NRLMLMHWXQZEQX-CMPLNLGQSA-N -1 1 268.357 3.036 20 0 CGADMM CCc1cccc(Oc2cc(Cl)nc(=O)[n-]2)c1 ZINC001306912397 932894395 /nfs/dbraw/zinc/89/43/95/932894395.db2.gz LDTXJMSTDALGFK-UHFFFAOYSA-N -1 1 250.685 3.190 20 0 CGADMM [O-]c1ccc(CN2CCC[C@@H]2c2ccc[nH]2)c(F)c1F ZINC001308634572 933147228 /nfs/dbraw/zinc/14/72/28/933147228.db2.gz MTIMIQPLABQXBE-GFCCVEGCSA-N -1 1 278.302 3.336 20 0 CGADMM [O-]c1ccc(CN2CCC(F)(C3CC3)CC2)c(F)c1F ZINC001308965496 933214483 /nfs/dbraw/zinc/21/44/83/933214483.db2.gz MZNXBSGWWZHKSU-UHFFFAOYSA-N -1 1 285.309 3.385 20 0 CGADMM CCCCCC[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC001309003661 933225504 /nfs/dbraw/zinc/22/55/04/933225504.db2.gz UHMCXZYPFJOVPO-UHFFFAOYSA-N -1 1 291.363 3.132 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@@H]1c1ccccc1 ZINC001464177544 937687445 /nfs/dbraw/zinc/68/74/45/937687445.db2.gz VWRXGAWSXAHYLE-CQSZACIVSA-N -1 1 271.291 3.119 20 0 CGADMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001464642246 937693467 /nfs/dbraw/zinc/69/34/67/937693467.db2.gz JZTAJKXXRACUGB-ZYHUDNBSSA-N -1 1 265.328 3.087 20 0 CGADMM C[C@H](Oc1ccccc1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001467999378 937723690 /nfs/dbraw/zinc/72/36/90/937723690.db2.gz MNUYZNPCSXZIAO-VIFPVBQESA-N -1 1 293.269 3.076 20 0 CGADMM C[C@H](C(=O)[N-]OC1CCCC1)c1ccc(F)c(F)c1 ZINC001319813940 933936422 /nfs/dbraw/zinc/93/64/22/933936422.db2.gz DVKLYGYZALMHBI-VIFPVBQESA-N -1 1 269.291 3.059 20 0 CGADMM CC1(C)C(C(=O)Nc2cc([O-])c(F)cc2F)C1(C)C ZINC001468747076 937731431 /nfs/dbraw/zinc/73/14/31/937731431.db2.gz BMUUUUBOJCINSS-UHFFFAOYSA-N -1 1 269.291 3.291 20 0 CGADMM C[C@@H]1CC/C(=C\C(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC001469162333 937736201 /nfs/dbraw/zinc/73/62/01/937736201.db2.gz WFDLAEKPSUNADZ-CBVZUMJXSA-N -1 1 267.275 3.355 20 0 CGADMM CC(C)(C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001320661882 934081258 /nfs/dbraw/zinc/08/12/58/934081258.db2.gz MRIIUIBGUKCMDW-UHFFFAOYSA-N -1 1 272.142 3.139 20 0 CGADMM CC1(C)CCC[C@H]1CCNC(=O)c1c([O-])cccc1F ZINC001470405012 937752542 /nfs/dbraw/zinc/75/25/42/937752542.db2.gz SUEQRTKEZDHOOD-NSHDSACASA-N -1 1 279.355 3.478 20 0 CGADMM O=C(NCC(C1CCC1)C1CCC1)c1c([O-])cccc1F ZINC001470453790 937753460 /nfs/dbraw/zinc/75/34/60/937753460.db2.gz SADXLIPKQIAHNS-UHFFFAOYSA-N -1 1 291.366 3.478 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cc(F)ccc1F ZINC001471699848 937768294 /nfs/dbraw/zinc/76/82/94/937768294.db2.gz VKCIIFAYENHKDU-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM Cc1ccccc1C(F)(F)C(=O)[N-][C@@H](C)C(F)(F)F ZINC001326616823 934995010 /nfs/dbraw/zinc/99/50/10/934995010.db2.gz JHDOOPRZXBTJLG-QMMMGPOBSA-N -1 1 281.224 3.154 20 0 CGADMM COc1cc(C(=O)NCCCCC2CC2)cc(Cl)c1[O-] ZINC001330897235 935332559 /nfs/dbraw/zinc/33/25/59/935332559.db2.gz UTWQXEPGSKHBGC-UHFFFAOYSA-N -1 1 297.782 3.364 20 0 CGADMM [O-]c1ccc(CNc2cccc3c2CCO3)c(F)c1F ZINC001474491685 937863028 /nfs/dbraw/zinc/86/30/28/937863028.db2.gz SXVJGVJTLDPVPM-UHFFFAOYSA-N -1 1 277.270 3.217 20 0 CGADMM C=C=CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001475444749 937883572 /nfs/dbraw/zinc/88/35/72/937883572.db2.gz TYIDVPDZGOZXEL-UHFFFAOYSA-N -1 1 299.804 3.174 20 0 CGADMM O=C(NC[C@H]1C[C@H]1C1CCCC1)c1ccc([O-])cc1F ZINC001522615821 938037189 /nfs/dbraw/zinc/03/71/89/938037189.db2.gz CAIDVUALTOPBQK-RISCZKNCSA-N -1 1 277.339 3.087 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CC[C@H]2CCCC[C@H]2C1 ZINC001538542054 938118816 /nfs/dbraw/zinc/11/88/16/938118816.db2.gz MXOPIHLWZMKQOM-NEPJUHHUSA-N -1 1 277.339 3.184 20 0 CGADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(F)c([O-])c1 ZINC001543531825 938140112 /nfs/dbraw/zinc/14/01/12/938140112.db2.gz OWRWBKHWKOVTRX-GMXVVIOVSA-N -1 1 277.339 3.230 20 0 CGADMM CCC[C@@H](CCc1ccccc1)NC(=O)c1ncccc1[O-] ZINC001544516912 938145550 /nfs/dbraw/zinc/14/55/50/938145550.db2.gz GUPJLSFLJUGHHZ-HNNXBMFYSA-N -1 1 298.386 3.319 20 0 CGADMM CC1(C)CCCC[C@@H]1NC(=O)c1cccc([O-])c1F ZINC001545539325 938149964 /nfs/dbraw/zinc/14/99/64/938149964.db2.gz YQRKKHKPOXIZHP-LBPRGKRZSA-N -1 1 265.328 3.230 20 0 CGADMM CCC[C@@H](NC(=O)c1cc(C)cc(C=O)c1[O-])C(C)(C)C ZINC001556658460 938204930 /nfs/dbraw/zinc/20/49/30/938204930.db2.gz AOXOODYXCJLBHD-CQSZACIVSA-N -1 1 291.391 3.458 20 0 CGADMM CC(C)=CCC[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC001556673397 938204962 /nfs/dbraw/zinc/20/49/62/938204962.db2.gz YEMIJWWVOSKTNG-LLVKDONJSA-N -1 1 265.328 3.396 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc(O)ccc1Cl ZINC001556920495 938206490 /nfs/dbraw/zinc/20/64/90/938206490.db2.gz VQHCHWDBWNFLPR-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccc2[nH]ccc2c1 ZINC001557086068 938207717 /nfs/dbraw/zinc/20/77/17/938207717.db2.gz GAKLACOCAOAIGC-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM C/C(=C/c1ccccn1)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001557087104 938207751 /nfs/dbraw/zinc/20/77/51/938207751.db2.gz UIIRGOCKQFOZOX-TWGQIWQCSA-N -1 1 290.269 3.107 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccsc1Cl ZINC001557409875 938209759 /nfs/dbraw/zinc/20/97/59/938209759.db2.gz ZVXMCXFSZCUQQH-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM C[C@@H]1CCC[C@H](C2CN(C(=O)c3ccc([O-])c(F)c3)C2)C1 ZINC001558020640 938213246 /nfs/dbraw/zinc/21/32/46/938213246.db2.gz SKLLIERLQSKHOQ-NEPJUHHUSA-N -1 1 291.366 3.430 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001558383109 938215250 /nfs/dbraw/zinc/21/52/50/938215250.db2.gz XFLLREUUFSDJCH-PSASIEDQSA-N -1 1 287.281 3.329 20 0 CGADMM Nc1c(F)cccc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001558644342 938216883 /nfs/dbraw/zinc/21/68/83/938216883.db2.gz GTOPZJFQTICPNC-UHFFFAOYSA-N -1 1 298.676 3.158 20 0 CGADMM O=C(NCc1ccsc1)NCc1ccc([O-])c(Cl)c1 ZINC001563421723 938302442 /nfs/dbraw/zinc/30/24/42/938302442.db2.gz IPCJFCIOQWDAGG-UHFFFAOYSA-N -1 1 296.779 3.107 20 0 CGADMM C[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000094760389 958306066 /nfs/dbraw/zinc/30/60/66/958306066.db2.gz BWZUVWBKLPCBKB-SNVBAGLBSA-N -1 1 290.750 3.284 20 0 CGADMM O=C(NC1CC(Cl)(Cl)C1)c1ccc(Cl)cc1[O-] ZINC001156835799 958830917 /nfs/dbraw/zinc/83/09/17/958830917.db2.gz DBQDKNJZUHEREP-UHFFFAOYSA-N -1 1 294.565 3.112 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000235190523 960395390 /nfs/dbraw/zinc/39/53/90/960395390.db2.gz CKLOVWCTZYWVEE-SNVBAGLBSA-N -1 1 284.315 3.009 20 0 CGADMM C[C@@H](N[C@H](C)c1ccc(C#N)cc1)c1ccc(C(=O)[O-])o1 ZINC000235201922 960396943 /nfs/dbraw/zinc/39/69/43/960396943.db2.gz FVPWPEOEIOMXQH-GHMZBOCLSA-N -1 1 284.315 3.261 20 0 CGADMM CCC[C@H]1CCCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001566307702 960561924 /nfs/dbraw/zinc/56/19/24/960561924.db2.gz YWTGRPSEPJHKRU-NSHDSACASA-N -1 1 265.328 3.184 20 0 CGADMM O=Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1F ZINC001566588925 960960873 /nfs/dbraw/zinc/96/08/73/960960873.db2.gz IIXHXDFGMOQDOP-UHFFFAOYSA-N -1 1 293.681 3.250 20 0 CGADMM CCC1(CC)CCC(NC(=O)c2cncc([O-])c2)CC1 ZINC001568472003 961579713 /nfs/dbraw/zinc/57/97/13/961579713.db2.gz NGGGELFJDZHYGM-UHFFFAOYSA-N -1 1 276.380 3.266 20 0 CGADMM Cc1cc(C)cc(CN(C)C(=O)c2cccc([O-])c2F)c1 ZINC001568653681 961620785 /nfs/dbraw/zinc/62/07/85/961620785.db2.gz REHXELHUXDPYLG-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM Cc1ccc(C(F)(F)C(=O)[N-]N2[C@H](C)CCC[C@@H]2C)cc1 ZINC001568875772 961652403 /nfs/dbraw/zinc/65/24/03/961652403.db2.gz VJRUHFRRKJYGLA-BETUJISGSA-N -1 1 296.361 3.381 20 0 CGADMM Cc1cc(C)c(C(=O)Nc2ccc([O-])c(F)c2F)c(C)n1 ZINC001569012844 961662862 /nfs/dbraw/zinc/66/28/62/961662862.db2.gz PIWRDWRALHXDMA-UHFFFAOYSA-N -1 1 292.285 3.243 20 0 CGADMM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc([O-])cn1 ZINC001570015516 961883871 /nfs/dbraw/zinc/88/38/71/961883871.db2.gz ZIDDSISOBQQHPZ-WWGRRREGSA-N -1 1 296.370 3.194 20 0 CGADMM C[C@H]1CCC[C@H](OCC(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC001570464649 961967983 /nfs/dbraw/zinc/96/79/83/961967983.db2.gz KRNIOVZZBPRQBX-ONGXEEELSA-N -1 1 299.317 3.204 20 0 CGADMM Cc1ccsc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001570464650 961969368 /nfs/dbraw/zinc/96/93/68/961969368.db2.gz KRUGBQCBLCWNGZ-UHFFFAOYSA-N -1 1 269.272 3.293 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H](F)c1ccccc1 ZINC001570465495 961977757 /nfs/dbraw/zinc/97/77/57/961977757.db2.gz BLVWFEPSWQWGKA-LBPRGKRZSA-N -1 1 281.233 3.320 20 0 CGADMM CSc1cccc(C(=O)Nc2cc(F)cc(F)c2[O-])n1 ZINC001570465700 961979333 /nfs/dbraw/zinc/97/93/33/961979333.db2.gz LIMROTHPPISDEL-UHFFFAOYSA-N -1 1 296.298 3.040 20 0 CGADMM CN(CC(=O)[O-])Cc1cc2cc(Cl)ccc2nc1Cl ZINC001573999109 962295118 /nfs/dbraw/zinc/29/51/18/962295118.db2.gz QQNCHPIHYJJGLD-UHFFFAOYSA-N -1 1 299.157 3.058 20 0 CGADMM c1cc(NC2CCC(C3CCC3)CC2)nc(-c2nnn[n-]2)c1 ZINC001582817692 962757727 /nfs/dbraw/zinc/75/77/27/962757727.db2.gz SYUMXBHVOHHXHO-UHFFFAOYSA-N -1 1 298.394 3.033 20 0 CGADMM c1cc(NC2CCC(C3CCC3)CC2)nc(-c2nn[n-]n2)c1 ZINC001582817692 962757741 /nfs/dbraw/zinc/75/77/41/962757741.db2.gz SYUMXBHVOHHXHO-UHFFFAOYSA-N -1 1 298.394 3.033 20 0 CGADMM CCCC1CCC(NC(=O)c2ncc(C)cc2[O-])CC1 ZINC001583344393 962797597 /nfs/dbraw/zinc/79/75/97/962797597.db2.gz HTWSYTBWVWHVNS-UHFFFAOYSA-N -1 1 276.380 3.184 20 0 CGADMM CCc1cccc(CC(=O)Nc2cccc(F)c2[O-])c1 ZINC001587389496 963189640 /nfs/dbraw/zinc/18/96/40/963189640.db2.gz KJORJIWTMREVPK-UHFFFAOYSA-N -1 1 273.307 3.275 20 0 CGADMM CC(C)CCN(C(=O)c1cccc([O-])c1F)C1CC1 ZINC001588232523 963254402 /nfs/dbraw/zinc/25/44/02/963254402.db2.gz PQVFAEADAXCAPK-UHFFFAOYSA-N -1 1 265.328 3.182 20 0 CGADMM C/C(=C/C(=O)[O-])CN(C)[C@H](C)c1nc2ccccc2s1 ZINC001588947116 963333866 /nfs/dbraw/zinc/33/38/66/963333866.db2.gz VUJSOJOFYKDYGM-HIJJYWJESA-N -1 1 290.388 3.320 20 0 CGADMM CC/C=C/CN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001595520800 981337393 /nfs/dbraw/zinc/33/73/93/981337393.db2.gz KFZXAJGKQQTVDQ-PCAWENJQSA-N -1 1 271.719 3.161 20 0 CGADMM C[C@@H]1CN(CCC(C)(C)C(=O)[O-])C[C@H](c2ccsc2)O1 ZINC001594529031 986108045 /nfs/dbraw/zinc/10/80/45/986108045.db2.gz UAFVCTMRPWQGPB-DGCLKSJQSA-N -1 1 297.420 3.011 20 0 CGADMM C[C@H]1Oc2ccccc2[C@H]1NCc1cc(C(=O)[O-])cs1 ZINC001594655463 986890601 /nfs/dbraw/zinc/89/06/01/986890601.db2.gz RGZYZHPXXCRAHG-OTYXRUKQSA-N -1 1 289.356 3.058 20 0 CGADMM C[C@@H]1Oc2ccccc2[C@H]1NCc1cc(C(=O)[O-])cs1 ZINC001594655464 986891054 /nfs/dbraw/zinc/89/10/54/986891054.db2.gz RGZYZHPXXCRAHG-XPTSAGLGSA-N -1 1 289.356 3.058 20 0 CGADMM CC(C)(C)c1coc(CN[C@@]2(C)CCCC[C@H]2C(=O)[O-])n1 ZINC001590526568 990135517 /nfs/dbraw/zinc/13/55/17/990135517.db2.gz CUXYTSMKTAUYTG-ZBEGNZNMSA-N -1 1 294.395 3.095 20 0 CGADMM CC(C)N(Cc1cc(C(=O)[O-])no1)[C@H](C)c1ccsc1 ZINC001591597006 992826685 /nfs/dbraw/zinc/82/66/85/992826685.db2.gz VPNDIPIZBKIIAR-SNVBAGLBSA-N -1 1 294.376 3.406 20 0 CGADMM CC(C)[N@@H+](Cc1ccc(C(=O)[O-])n1C)Cc1ccccc1 ZINC001591603847 992838150 /nfs/dbraw/zinc/83/81/50/992838150.db2.gz WBSQSNSGKLDZEH-UHFFFAOYSA-N -1 1 286.375 3.134 20 0 CGADMM C[C@@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccn1 ZINC001593195582 994147744 /nfs/dbraw/zinc/14/77/44/994147744.db2.gz RFOWYLCLOBCMKI-YGRLFVJLSA-N -1 1 290.750 3.212 20 0 CGADMM C[C@H](NC1(c2ccccc2)CC1)c1cc(C(=O)[O-])co1 ZINC001593208341 994224531 /nfs/dbraw/zinc/22/45/31/994224531.db2.gz BAWACDFQZSMFSH-NSHDSACASA-N -1 1 271.316 3.318 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2cncc(Cl)c2)n1 ZINC000621993037 349619516 /nfs/dbraw/zinc/61/95/16/349619516.db2.gz SPVFZTCZVQOVNS-UHFFFAOYSA-N -1 1 295.795 3.475 20 0 CGADMM CCCc1nc(C(=O)[N-]c2c(F)cc(F)cc2F)co1 ZINC000337954283 214331107 /nfs/dbraw/zinc/33/11/07/214331107.db2.gz IANFCOXXDNBEFP-UHFFFAOYSA-N -1 1 284.237 3.297 20 0 CGADMM CC1(C)Cc2cccc(NC(=O)c3ccccc3[O-])c2O1 ZINC000622551504 349686275 /nfs/dbraw/zinc/68/62/75/349686275.db2.gz SAXPTKZNNPQAGD-UHFFFAOYSA-N -1 1 283.327 3.358 20 0 CGADMM CCc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000176676644 529601176 /nfs/dbraw/zinc/60/11/76/529601176.db2.gz OTBFFTPWSBUQHH-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM CCc1ccnc(-c2noc(-c3cc(F)ccc3[O-])n2)c1 ZINC000436593918 529624473 /nfs/dbraw/zinc/62/44/73/529624473.db2.gz FCXLBSGQIQLKGT-UHFFFAOYSA-N -1 1 285.278 3.206 20 0 CGADMM CCc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426781160 529654080 /nfs/dbraw/zinc/65/40/80/529654080.db2.gz YWHOUUPVTSCQCZ-MRXNPFEDSA-N -1 1 287.334 3.304 20 0 CGADMM CCc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)cc1 ZINC000426781326 529657498 /nfs/dbraw/zinc/65/74/98/529657498.db2.gz BGKKBVRJCRURPH-OAHLLOKOSA-N -1 1 287.359 3.456 20 0 CGADMM CCC[C@H](C)NC(=O)c1cc(Br)ccc1[O-] ZINC000036674942 344944849 /nfs/dbraw/zinc/94/48/49/344944849.db2.gz KBRFOGVASYQVLT-QMMMGPOBSA-N -1 1 286.169 3.073 20 0 CGADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3cccc(F)c3)c2)c1 ZINC000063639970 345251168 /nfs/dbraw/zinc/25/11/68/345251168.db2.gz SYVCIHVYIIPNJH-UHFFFAOYSA-N -1 1 296.301 3.256 20 0 CGADMM Cc1cccc(Oc2ccccc2[N-]S(C)(=O)=O)c1 ZINC000070237804 345390357 /nfs/dbraw/zinc/39/03/57/345390357.db2.gz RDQMYWFHDXPAGM-UHFFFAOYSA-N -1 1 277.345 3.159 20 0 CGADMM Cc1nc(C)c(CNC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000075113596 345495505 /nfs/dbraw/zinc/49/55/05/345495505.db2.gz NKXMYFNGWCWZTR-UHFFFAOYSA-N -1 1 296.779 3.049 20 0 CGADMM O=C(Nc1cc(Cl)cc(Cl)c1)c1cncc([O-])c1 ZINC000082337908 345722885 /nfs/dbraw/zinc/72/28/85/345722885.db2.gz YRXYEKWFWDKVCI-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM Cc1ccc2nc(-c3ccc4c(n3)CCCC4)[n-]c(=O)c2c1 ZINC000092196705 345831493 /nfs/dbraw/zinc/83/14/93/345831493.db2.gz IQCXYJPTZSFVED-UHFFFAOYSA-N -1 1 291.354 3.172 20 0 CGADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1ccc(Cl)cc1Cl ZINC000092926699 345863626 /nfs/dbraw/zinc/86/36/26/345863626.db2.gz JMLWJTUHUHBVFE-GZMMTYOYSA-N -1 1 288.174 3.288 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc([O-])cc2F)[C@@H]1c1ccccc1 ZINC000181244408 232410034 /nfs/dbraw/zinc/41/00/34/232410034.db2.gz HHLYVMHNVQQVSP-ZBEGNZNMSA-N -1 1 285.318 3.365 20 0 CGADMM CCCc1cc(=O)[n-]c(SCCOC(C)(C)C)n1 ZINC000183150942 346257448 /nfs/dbraw/zinc/25/74/48/346257448.db2.gz DNAPHSIUPVVVKC-UHFFFAOYSA-N -1 1 270.398 3.042 20 0 CGADMM C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)[C@@H](C(=O)[O-])C1 ZINC000229304824 346317279 /nfs/dbraw/zinc/31/72/79/346317279.db2.gz DTPHYZOEUQBSFQ-GXFFZTMASA-N -1 1 267.756 3.025 20 0 CGADMM C[C@H](c1ccc2ccccc2c1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000317033141 346485707 /nfs/dbraw/zinc/48/57/07/346485707.db2.gz VHOLLECMRJDNBU-DYVFJYSZSA-N -1 1 299.370 3.076 20 0 CGADMM COC1(CNC(=O)c2cc3ccccc3cc2[O-])CCCC1 ZINC000320050994 346487703 /nfs/dbraw/zinc/48/77/03/346487703.db2.gz IZNMJVSDSIUKAR-UHFFFAOYSA-N -1 1 299.370 3.234 20 0 CGADMM CSCC1(CC(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000593738885 347109230 /nfs/dbraw/zinc/10/92/30/347109230.db2.gz NBGQTNRAYVCSFD-UHFFFAOYSA-N -1 1 287.331 3.142 20 0 CGADMM CC(C)CSCCCN=c1[n-]nc(C2CC2)s1 ZINC000339359409 215118799 /nfs/dbraw/zinc/11/87/99/215118799.db2.gz PBHLDKWDQGRIIE-UHFFFAOYSA-N -1 1 271.455 3.029 20 0 CGADMM O=C(Cc1ccc(Cl)cc1)Nc1c([O-])cccc1F ZINC000605434726 348155048 /nfs/dbraw/zinc/15/50/48/348155048.db2.gz BNWBAFNIKRGEQX-UHFFFAOYSA-N -1 1 279.698 3.366 20 0 CGADMM CCc1ccc(OCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000605434714 348155166 /nfs/dbraw/zinc/15/51/66/348155166.db2.gz BJKQJQKYZSFSTF-UHFFFAOYSA-N -1 1 289.306 3.111 20 0 CGADMM O=C(CCCc1ccccc1)Nc1c([O-])cccc1F ZINC000605440157 348155987 /nfs/dbraw/zinc/15/59/87/348155987.db2.gz LRQSEEHQPBTFLS-UHFFFAOYSA-N -1 1 273.307 3.493 20 0 CGADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1c([O-])cccc1F ZINC000608366232 348301081 /nfs/dbraw/zinc/30/10/81/348301081.db2.gz PQKHNMFDFLIRSR-GXFFZTMASA-N -1 1 281.327 3.065 20 0 CGADMM C[C@H]1CCC[C@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000608366788 348301138 /nfs/dbraw/zinc/30/11/38/348301138.db2.gz YYJVQRYDQXUJHE-UWVGGRQHSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1c([O-])cccc1F ZINC000608366230 348301398 /nfs/dbraw/zinc/30/13/98/348301398.db2.gz PQKHNMFDFLIRSR-GWCFXTLKSA-N -1 1 281.327 3.065 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@]12CCc1ccccc12 ZINC000608367544 348302429 /nfs/dbraw/zinc/30/24/29/348302429.db2.gz VOYUSTRFLIWQFM-UGSOOPFHSA-N -1 1 297.329 3.374 20 0 CGADMM CC[C@@H](CC(=O)Nc1c(C)[n-][nH]c1=O)c1ccc(C)cc1 ZINC000615225454 348725019 /nfs/dbraw/zinc/72/50/19/348725019.db2.gz BMDDIYHMEVWTFH-LBPRGKRZSA-N -1 1 287.363 3.255 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](CCF)C1 ZINC000618687138 349142264 /nfs/dbraw/zinc/14/22/64/349142264.db2.gz LIPJUZKAYHUWDK-JTQLQIEISA-N -1 1 285.746 3.257 20 0 CGADMM CCC(CC)CCCN(C)C(=O)c1ncccc1[O-] ZINC000620199029 349334932 /nfs/dbraw/zinc/33/49/32/349334932.db2.gz UAXUANVENMZWMY-UHFFFAOYSA-N -1 1 264.369 3.076 20 0 CGADMM Cc1nc(-c2ccc(NCC3(C)CC3)nc2)[n-]c(=O)c1C ZINC000359038226 233247235 /nfs/dbraw/zinc/24/72/35/233247235.db2.gz RDFHBDNNOVMMKQ-UHFFFAOYSA-N -1 1 284.363 3.073 20 0 CGADMM CC[C@H](CC(F)(F)F)C(=O)Nc1cccc(F)c1[O-] ZINC000628960739 350626452 /nfs/dbraw/zinc/62/64/52/350626452.db2.gz YOLFRMIKVVOZNI-SSDOTTSWSA-N -1 1 279.233 3.448 20 0 CGADMM C[C@]12CCCC[C@H]1CN2C(=O)c1ncc2ccccc2c1[O-] ZINC000629618900 350720943 /nfs/dbraw/zinc/72/09/43/350720943.db2.gz HQKCEGKUHQQOFI-UGSOOPFHSA-N -1 1 296.370 3.345 20 0 CGADMM O=c1c2c([n-]n1Cc1cccc3cccnc31)CCCC2 ZINC000629942701 350788093 /nfs/dbraw/zinc/78/80/93/350788093.db2.gz PGJUHGVQGHTOBR-AWEZNQCLSA-N -1 1 279.343 3.123 20 0 CGADMM Cc1ccc(CN(C)C(=O)Cc2ccc([O-])c(Cl)c2)o1 ZINC000630450593 350841724 /nfs/dbraw/zinc/84/17/24/350841724.db2.gz UNSPRKFLMCLJPF-UHFFFAOYSA-N -1 1 293.750 3.148 20 0 CGADMM CC1(C)CO[C@@H](CSc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000631019992 350926016 /nfs/dbraw/zinc/92/60/16/350926016.db2.gz ARABVUWDAMBZKR-SSDOTTSWSA-N -1 1 290.335 3.027 20 0 CGADMM CC(C)N(CC(F)F)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631914039 351154263 /nfs/dbraw/zinc/15/42/63/351154263.db2.gz MKGMICSZUAPJOK-UHFFFAOYSA-N -1 1 291.725 3.090 20 0 CGADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C1CCCC1 ZINC000631966935 351155684 /nfs/dbraw/zinc/15/56/84/351155684.db2.gz ZFIIEUMQHIERSM-QMMMGPOBSA-N -1 1 293.335 3.074 20 0 CGADMM [O-]c1ccc(Cc2nc(CCC3CC3)no2)cc1Cl ZINC000632091368 351166340 /nfs/dbraw/zinc/16/63/40/351166340.db2.gz FVHSBDNIFVXOML-UHFFFAOYSA-N -1 1 278.739 3.362 20 0 CGADMM CC(C)(C)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000632139681 351172238 /nfs/dbraw/zinc/17/22/38/351172238.db2.gz VPYFTSSRHYLCIC-UHFFFAOYSA-N -1 1 293.754 3.319 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H](C2CC2)C1 ZINC000633111286 351243166 /nfs/dbraw/zinc/24/31/66/351243166.db2.gz OBKDDWXQCSYGPL-CYBMUJFWSA-N -1 1 293.794 3.237 20 0 CGADMM C[C@@H](CCC1CC1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632515989 351202899 /nfs/dbraw/zinc/20/28/99/351202899.db2.gz YWJUWENWXAJPTM-JTQLQIEISA-N -1 1 281.783 3.283 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccccc3C(F)(F)F)c(=O)c21 ZINC000634584439 351523554 /nfs/dbraw/zinc/52/35/54/351523554.db2.gz BVZFOKVQDOYOLZ-UFBFGSQYSA-N -1 1 282.265 3.454 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ncc(Cl)cc3Cl)c(=O)c21 ZINC000634583941 351523632 /nfs/dbraw/zinc/52/36/32/351523632.db2.gz MQKZGWVOFRXWLS-LHLIQPBNSA-N -1 1 284.146 3.137 20 0 CGADMM CCCc1[n-]n(-c2cnnc3ccccc32)c(=O)c1CC ZINC000634604538 351538721 /nfs/dbraw/zinc/53/87/21/351538721.db2.gz JIMWKAFFDASBTC-NSHDSACASA-N -1 1 282.347 3.159 20 0 CGADMM Cc1[n-]n(-c2ccccc2OC(F)(F)F)c(=O)c1C1CC1 ZINC000634614850 351543289 /nfs/dbraw/zinc/54/32/89/351543289.db2.gz QCFUQHINGKDGPB-GFCCVEGCSA-N -1 1 298.264 3.334 20 0 CGADMM O=C([O-])CCCCN[C@H](CCc1ccccc1)C(F)F ZINC000635314324 351649456 /nfs/dbraw/zinc/64/94/56/351649456.db2.gz YUHKTXPUXHBZNK-CYBMUJFWSA-N -1 1 285.334 3.097 20 0 CGADMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ncccc1[O-] ZINC000153791293 188103887 /nfs/dbraw/zinc/10/38/87/188103887.db2.gz WBLWZQDOFHHRKD-CYBMUJFWSA-N -1 1 296.370 3.228 20 0 CGADMM CN(C(=O)c1ccc([O-])cc1F)[C@H]1CCc2ccccc2C1 ZINC000154894456 188167997 /nfs/dbraw/zinc/16/79/97/188167997.db2.gz SFWUTXADZAZGPB-AWEZNQCLSA-N -1 1 299.345 3.161 20 0 CGADMM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000154961822 188173221 /nfs/dbraw/zinc/17/32/21/188173221.db2.gz YNJIXOXAYUXEKG-CMPLNLGQSA-N -1 1 297.395 3.325 20 0 CGADMM CC[C@H](C(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000155007652 188176380 /nfs/dbraw/zinc/17/63/80/188176380.db2.gz AFNLXAWSPCZBKA-NSHDSACASA-N -1 1 275.270 3.180 20 0 CGADMM CC[C@@H](C(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000155007750 188176724 /nfs/dbraw/zinc/17/67/24/188176724.db2.gz AFNLXAWSPCZBKA-LLVKDONJSA-N -1 1 275.270 3.180 20 0 CGADMM CCC[C@@H](OC)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000157385884 188313914 /nfs/dbraw/zinc/31/39/14/188313914.db2.gz HWTZOOZZZJRUAS-LLVKDONJSA-N -1 1 266.272 3.069 20 0 CGADMM Cc1ccc(O)c(CNCc2cc(C3CC3)ccc2F)n1 ZINC000295179922 199390276 /nfs/dbraw/zinc/39/02/76/199390276.db2.gz VPNMOHXJYQOKPU-UHFFFAOYSA-N -1 1 286.350 3.402 20 0 CGADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000091513043 138344376 /nfs/dbraw/zinc/34/43/76/138344376.db2.gz AXQLPBBTUZRLBJ-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM C[C@@H](N(C)C(=O)c1cc(F)ccc1[O-])C(C)(C)C ZINC000128642278 138394294 /nfs/dbraw/zinc/39/42/94/138394294.db2.gz IWVSDTCRJNZHHT-SECBINFHSA-N -1 1 253.317 3.038 20 0 CGADMM O=C([O-])C[C@H](NCc1ccc(F)c(F)c1)c1ccsc1 ZINC000426696694 236306832 /nfs/dbraw/zinc/30/68/32/236306832.db2.gz SXJFMFAUTKZYEV-ZDUSSCGKSA-N -1 1 297.326 3.332 20 0 CGADMM O=C(NCC1(C(F)(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000436661035 237152349 /nfs/dbraw/zinc/15/23/49/237152349.db2.gz UUONBWPHGLIKHR-UHFFFAOYSA-N -1 1 293.672 3.118 20 0 CGADMM O=C(N[C@@H]1C=CCCC1)c1cc2ccccc2cc1[O-] ZINC000436585154 237138806 /nfs/dbraw/zinc/13/88/06/237138806.db2.gz IUNKUIMQILJNLJ-CQSZACIVSA-N -1 1 267.328 3.384 20 0 CGADMM Cc1sc(/C=C/c2cc(F)c(O)c(F)c2)nc1C(=O)[O-] ZINC000436784149 237183647 /nfs/dbraw/zinc/18/36/47/237183647.db2.gz OWPMBJMOYXGRIV-NSCUHMNNSA-N -1 1 297.282 3.304 20 0 CGADMM O=C(Nc1ccccc1-c1cn[nH]c1)c1ccccc1[O-] ZINC000436867666 237196064 /nfs/dbraw/zinc/19/60/64/237196064.db2.gz DSOLWLFLSSKPBG-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM O=C(NC1(C(F)F)CCCCC1)c1c([O-])cccc1F ZINC000436859932 237198457 /nfs/dbraw/zinc/19/84/57/237198457.db2.gz ZPQAMPUSTWCLBU-UHFFFAOYSA-N -1 1 287.281 3.229 20 0 CGADMM Cc1cc(-n2cccn2)ccc1NC(=O)c1ccccc1[O-] ZINC000191110212 542257249 /nfs/dbraw/zinc/25/72/49/542257249.db2.gz PQKGXHDGEZPUPV-UHFFFAOYSA-N -1 1 293.326 3.139 20 0 CGADMM CC[C@@H](C)[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000341849728 216125540 /nfs/dbraw/zinc/12/55/40/216125540.db2.gz YDMBKGCMKSCTPW-NOZJJQNGSA-N -1 1 294.786 3.041 20 0 CGADMM CC1(C)CO[C@H](c2ccccc2)CN1CCCCC(=O)[O-] ZINC000181553563 189300218 /nfs/dbraw/zinc/30/02/18/189300218.db2.gz ZJLQRYQWBBIFQX-HNNXBMFYSA-N -1 1 291.391 3.093 20 0 CGADMM CS[C@H](C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000119403222 370674088 /nfs/dbraw/zinc/67/40/88/370674088.db2.gz XDALVKOYLJSYHA-SSDOTTSWSA-N -1 1 259.758 3.126 20 0 CGADMM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000450976234 240176877 /nfs/dbraw/zinc/17/68/77/240176877.db2.gz YWTGQDDQHQQLLY-WPRPVWTQSA-N -1 1 293.841 3.259 20 0 CGADMM C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc([O-])cc3F)C2)C1 ZINC000121406953 370858411 /nfs/dbraw/zinc/85/84/11/370858411.db2.gz KAHFHVPQVSYXCF-MEDUHNTESA-N -1 1 277.339 3.184 20 0 CGADMM CC(C)[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459298792 242060987 /nfs/dbraw/zinc/06/09/87/242060987.db2.gz BEEYZPKBDSPTRZ-UHFFFAOYSA-N -1 1 297.402 3.470 20 0 CGADMM CCCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000017322503 368732323 /nfs/dbraw/zinc/73/23/23/368732323.db2.gz SXMOTVHITGZJHI-UHFFFAOYSA-N -1 1 257.333 3.465 20 0 CGADMM O=C(/C=C\c1cccc(O)c1)Nc1ccc([O-])c(Cl)c1 ZINC000492703820 244010357 /nfs/dbraw/zinc/01/03/57/244010357.db2.gz KRDYIBGCABMURL-DAXSKMNVSA-N -1 1 289.718 3.403 20 0 CGADMM CC(C)(C)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000040494917 369156166 /nfs/dbraw/zinc/15/61/66/369156166.db2.gz YXJLCPKEAYUFHS-UHFFFAOYSA-N -1 1 257.333 3.321 20 0 CGADMM CC[C@H](C)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000044490612 369262917 /nfs/dbraw/zinc/26/29/17/369262917.db2.gz CNTPDEPZLSIIRZ-QMMMGPOBSA-N -1 1 286.169 3.025 20 0 CGADMM Cc1cnc(C(=O)N[C@H](c2cccs2)C2CC2)c([O-])c1 ZINC000494919913 244331432 /nfs/dbraw/zinc/33/14/32/244331432.db2.gz FLVADDPYYQMDBB-ZDUSSCGKSA-N -1 1 288.372 3.038 20 0 CGADMM CC(C)CN(C(=O)c1ccc(Cl)cc1[O-])C1CC1 ZINC000047846329 369329462 /nfs/dbraw/zinc/32/94/62/369329462.db2.gz ZGXOXTSAPXBMRX-UHFFFAOYSA-N -1 1 267.756 3.306 20 0 CGADMM O=c1nc(-c2ccc(OC(F)F)cc2)[n-]c2ccsc21 ZINC000048603521 369361733 /nfs/dbraw/zinc/36/17/33/369361733.db2.gz JCTAKALZGCPRSO-UHFFFAOYSA-N -1 1 294.282 3.253 20 0 CGADMM O=S(=O)(Cc1ccccc1Cl)c1ccc([O-])cc1 ZINC000049489015 369405556 /nfs/dbraw/zinc/40/55/56/369405556.db2.gz KIMOIYFCYRIVDY-UHFFFAOYSA-N -1 1 282.748 3.020 20 0 CGADMM CCN(C(=O)c1ccccc1[O-])c1ccc(F)cc1 ZINC000052077010 369463272 /nfs/dbraw/zinc/46/32/72/369463272.db2.gz NWRIEHZNKVPKDA-UHFFFAOYSA-N -1 1 259.280 3.198 20 0 CGADMM FC(F)(F)c1c[n-]c(=NOC[C@@H]2CCOC2)c(Cl)c1 ZINC000276165033 193230978 /nfs/dbraw/zinc/23/09/78/193230978.db2.gz BSVXXOPWCRWVPU-SSDOTTSWSA-N -1 1 296.676 3.134 20 0 CGADMM CCC(C)(C)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000069455931 369760535 /nfs/dbraw/zinc/76/05/35/369760535.db2.gz FCLMVWQQQWMAMQ-UHFFFAOYSA-N -1 1 255.745 3.306 20 0 CGADMM CCOCc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000102320650 370301349 /nfs/dbraw/zinc/30/13/49/370301349.db2.gz BNGVTWFMQUHIHT-UHFFFAOYSA-N -1 1 291.372 3.024 20 0 CGADMM CC[C@@H](NC(=O)c1cncc([O-])c1)c1cccc(Cl)c1 ZINC000109042645 370359803 /nfs/dbraw/zinc/35/98/03/370359803.db2.gz FSWSRTUBNNQJCX-CQSZACIVSA-N -1 1 290.750 3.322 20 0 CGADMM CC(C)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)n[nH]1 ZINC000111667602 370404247 /nfs/dbraw/zinc/40/42/47/370404247.db2.gz XCHIZFKPZVJWKA-UHFFFAOYSA-N -1 1 279.727 3.144 20 0 CGADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000132886838 371209785 /nfs/dbraw/zinc/20/97/85/371209785.db2.gz RFMFSGZTLXAZJZ-AWEZNQCLSA-N -1 1 273.307 3.412 20 0 CGADMM Oc1cc(F)cc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000289888202 371846292 /nfs/dbraw/zinc/84/62/92/371846292.db2.gz SPZTYNDORUMMMR-INIZCTEOSA-N -1 1 272.323 3.263 20 0 CGADMM O=C([O-])C[C@H](NCc1ccc(F)cc1F)c1cccs1 ZINC000037087854 541861373 /nfs/dbraw/zinc/86/13/73/541861373.db2.gz MUOSYQMKRXJAPE-LBPRGKRZSA-N -1 1 297.326 3.332 20 0 CGADMM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000157543408 372027814 /nfs/dbraw/zinc/02/78/14/372027814.db2.gz QWNPCKINKVQCPO-LLVKDONJSA-N -1 1 281.377 3.146 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1coc(-c2ccccc2)n1 ZINC000340330560 284308649 /nfs/dbraw/zinc/30/86/49/284308649.db2.gz OTJXMNNJIALNCT-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM CO[C@H]1CCCC[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000293085274 372295936 /nfs/dbraw/zinc/29/59/36/372295936.db2.gz DLQHXPUHMAWAIO-MFKMUULPSA-N -1 1 292.310 3.254 20 0 CGADMM Cc1nc(CC(=O)Nc2ccc([O-])c(Cl)c2)c(C)s1 ZINC000163207899 372453666 /nfs/dbraw/zinc/45/36/66/372453666.db2.gz HZAGIEKOICSSDH-UHFFFAOYSA-N -1 1 296.779 3.300 20 0 CGADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436749437 372840133 /nfs/dbraw/zinc/84/01/33/372840133.db2.gz AXPHTWBGLYPDGO-DTWKUNHWSA-N -1 1 287.281 3.282 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000171864783 372844171 /nfs/dbraw/zinc/84/41/71/372844171.db2.gz PWCGEPQFHZQRSW-MRXNPFEDSA-N -1 1 296.370 3.025 20 0 CGADMM CC1(C)[C@@H]2CN(C(=O)c3ccc4ccccc4c3[O-])C[C@@H]21 ZINC000174111795 373251489 /nfs/dbraw/zinc/25/14/89/373251489.db2.gz NLCHZBUVGHOJSS-GASCZTMLSA-N -1 1 281.355 3.273 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H]2CCO[C@@H](C)C2)n1 ZINC000447287198 373416689 /nfs/dbraw/zinc/41/66/89/373416689.db2.gz XFEXJGOZMLMOEA-WDEREUQCSA-N -1 1 282.409 3.042 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C ZINC000177069914 373652657 /nfs/dbraw/zinc/65/26/57/373652657.db2.gz HFFDPQQDFRTKDB-RYUDHWBXSA-N -1 1 269.344 3.416 20 0 CGADMM Cc1nc(-c2ccc(N[C@H]3CC=CCC3)nc2)[n-]c(=O)c1C ZINC000301394325 373769524 /nfs/dbraw/zinc/76/95/24/373769524.db2.gz KJCRHMKPDPCGKB-AWEZNQCLSA-N -1 1 296.374 3.382 20 0 CGADMM O=C(Nc1cccc2[nH]ccc21)c1cc(F)ccc1[O-] ZINC000179515829 373884183 /nfs/dbraw/zinc/88/41/83/373884183.db2.gz PIVFFYAZDJGXMA-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM CC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C(=O)[O-] ZINC000071264728 541895225 /nfs/dbraw/zinc/89/52/25/541895225.db2.gz ACNKHLHWCUCAEQ-ZDUSSCGKSA-N -1 1 265.328 3.288 20 0 CGADMM Cc1cnccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180524862 374016535 /nfs/dbraw/zinc/01/65/35/374016535.db2.gz SFVDPVWKXUXLAM-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM CC(C)(C)OCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289513490 197385207 /nfs/dbraw/zinc/38/52/07/197385207.db2.gz LXFGGCKOUWSQMY-UHFFFAOYSA-N -1 1 278.324 3.027 20 0 CGADMM CCOCc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181203197 374092923 /nfs/dbraw/zinc/09/29/23/374092923.db2.gz MRKOUWSACVHFIH-UHFFFAOYSA-N -1 1 289.306 3.320 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC2(CC2)CC1 ZINC000370867906 296209635 /nfs/dbraw/zinc/20/96/35/296209635.db2.gz DCPROJDSOLQBEN-UHFFFAOYSA-N -1 1 265.740 3.062 20 0 CGADMM C[C@@H](COc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000092550799 541976250 /nfs/dbraw/zinc/97/62/50/541976250.db2.gz PZYPWZCHNIVZOJ-NSHDSACASA-N -1 1 289.306 3.185 20 0 CGADMM O=C(Nc1cccc(C2CC2)n1)c1c(F)ccc([O-])c1F ZINC000334232290 206228705 /nfs/dbraw/zinc/22/87/05/206228705.db2.gz VWDNJWVRWKFJIH-UHFFFAOYSA-N -1 1 290.269 3.195 20 0 CGADMM CC1CCC(OCC(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000456762266 374617367 /nfs/dbraw/zinc/61/73/67/374617367.db2.gz ASLYVZWRUAENBS-UHFFFAOYSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456786292 374623548 /nfs/dbraw/zinc/62/35/48/374623548.db2.gz OJKQULPDJQGQAX-BDAKNGLRSA-N -1 1 269.291 3.435 20 0 CGADMM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456787546 374623811 /nfs/dbraw/zinc/62/38/11/374623811.db2.gz PVFFTUWMLVVHJG-GFCCVEGCSA-N -1 1 299.317 3.347 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CC2CCC1CC2 ZINC000456790846 374625215 /nfs/dbraw/zinc/62/52/15/374625215.db2.gz WMKXCYZGEMDUNU-RTBKNWGFSA-N -1 1 281.302 3.435 20 0 CGADMM CSCCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456791080 374625401 /nfs/dbraw/zinc/62/54/01/374625401.db2.gz XHNWLHJAVUOSSH-UHFFFAOYSA-N -1 1 275.320 3.142 20 0 CGADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000092939161 541977854 /nfs/dbraw/zinc/97/78/54/541977854.db2.gz UTXYKCUOECUIEN-SCZZXKLOSA-N -1 1 288.174 3.288 20 0 CGADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000185402538 374655480 /nfs/dbraw/zinc/65/54/80/374655480.db2.gz FCQKCDSPFVCVKA-NXEZZACHSA-N -1 1 253.729 3.276 20 0 CGADMM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335018845 375073970 /nfs/dbraw/zinc/07/39/70/375073970.db2.gz SXQLIKFLEDUTCK-CPFSXVBKSA-N -1 1 255.264 3.045 20 0 CGADMM COC(=O)c1c[n-]c(SCc2csc(C(C)C)n2)n1 ZINC000187586828 375050452 /nfs/dbraw/zinc/05/04/52/375050452.db2.gz KYSZJOIDRPPYOB-UHFFFAOYSA-N -1 1 297.405 3.069 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H](C)c2ccc(F)cc2)n1 ZINC000188081302 375153479 /nfs/dbraw/zinc/15/34/79/375153479.db2.gz RPVHVVMCQAIFOD-SECBINFHSA-N -1 1 278.352 3.325 20 0 CGADMM Cn1ccc2cccc(NC(=O)c3ccc([O-])cc3F)c21 ZINC000188128869 375163104 /nfs/dbraw/zinc/16/31/04/375163104.db2.gz QIAOVUJGYYQLSK-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM CC(C)(c1nc(-c2ccc([O-])cc2F)no1)C(F)F ZINC000335144112 375170693 /nfs/dbraw/zinc/17/06/93/375170693.db2.gz WOFZYSCLHPMUPS-UHFFFAOYSA-N -1 1 272.226 3.124 20 0 CGADMM Cc1nc(C2CC2)oc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335215949 375236218 /nfs/dbraw/zinc/23/62/18/375236218.db2.gz KPIYHXYTKLLQTH-UHFFFAOYSA-N -1 1 294.257 3.097 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCCC1(F)F ZINC000335218323 375237636 /nfs/dbraw/zinc/23/76/36/375237636.db2.gz QOYADOFOSUGCKG-SSDOTTSWSA-N -1 1 291.244 3.434 20 0 CGADMM CSCc1cccc(-c2nc3cccnc3c(=O)[n-]2)c1 ZINC000491530395 375329229 /nfs/dbraw/zinc/32/92/29/375329229.db2.gz KYZNWAWZCNDRBZ-UHFFFAOYSA-N -1 1 283.356 3.260 20 0 CGADMM CC[C@H]1CCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000336179118 375751267 /nfs/dbraw/zinc/75/12/67/375751267.db2.gz ZLOAMEPBUXEVQG-JTQLQIEISA-N -1 1 283.755 3.069 20 0 CGADMM CCCC[N@@H+](CC)Cc1cc(C(=O)[O-])oc1CC ZINC000519609684 375851215 /nfs/dbraw/zinc/85/12/15/375851215.db2.gz QCPQDJSLGKJSCK-UHFFFAOYSA-N -1 1 253.342 3.162 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(F)cc1 ZINC000336851035 376011179 /nfs/dbraw/zinc/01/11/79/376011179.db2.gz BWXKPOSKWMHGEY-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C12CCC(CC1)C2 ZINC000544333884 376721816 /nfs/dbraw/zinc/72/18/16/376721816.db2.gz WBIPFODTFNREFU-UHFFFAOYSA-N -1 1 297.358 3.301 20 0 CGADMM C[C@@H](C1CC1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000557928876 376965391 /nfs/dbraw/zinc/96/53/91/376965391.db2.gz YNIMJHXZDADBAB-QMMMGPOBSA-N -1 1 287.281 3.282 20 0 CGADMM Cc1cccc(C)c1OCC(=O)Nc1ccc(F)cc1[O-] ZINC000340329623 377006026 /nfs/dbraw/zinc/00/60/26/377006026.db2.gz ZKMHOLNPPJNSQO-UHFFFAOYSA-N -1 1 289.306 3.166 20 0 CGADMM COc1cc(C(=O)N[C@H]2CC23CCCC3)cc(Cl)c1[O-] ZINC000562925534 377373662 /nfs/dbraw/zinc/37/36/62/377373662.db2.gz XQLHWOKNDNEGJB-LBPRGKRZSA-N -1 1 295.766 3.117 20 0 CGADMM CC(C)OCCCN(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000516091822 249225498 /nfs/dbraw/zinc/22/54/98/249225498.db2.gz UQWDMRMTPLVYOT-UHFFFAOYSA-N -1 1 299.798 3.285 20 0 CGADMM CC(C)OC1CC(Sc2nc(C3CC3)cc(=O)[n-]2)C1 ZINC000575230614 377764375 /nfs/dbraw/zinc/76/43/75/377764375.db2.gz XUDBLTUNRGQSDT-UHFFFAOYSA-N -1 1 280.393 3.108 20 0 CGADMM Cc1cc(F)c(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000263109442 377918734 /nfs/dbraw/zinc/91/87/34/377918734.db2.gz YHZRKIWGWZKRDL-MNOVXSKESA-N -1 1 299.773 3.330 20 0 CGADMM Cc1c(F)cccc1-c1ccc(CN(C)[C@@H](C)C(=O)[O-])o1 ZINC000263441241 377937301 /nfs/dbraw/zinc/93/73/01/377937301.db2.gz WNEBGXIDQXXJOV-NSHDSACASA-N -1 1 291.322 3.299 20 0 CGADMM Cc1nc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)co1 ZINC000345176343 378215056 /nfs/dbraw/zinc/21/50/56/378215056.db2.gz BSLSOULJRVLJNW-UHFFFAOYSA-N -1 1 296.113 3.193 20 0 CGADMM CC(C)(NC(=O)c1cncc([O-])c1)c1cccc(Cl)c1 ZINC000346386788 378564002 /nfs/dbraw/zinc/56/40/02/378564002.db2.gz YKNGBRLXGWQNGB-UHFFFAOYSA-N -1 1 290.750 3.106 20 0 CGADMM O=C(NCC1(c2ccccc2)CCCC1)c1cncc([O-])c1 ZINC000346578783 378631101 /nfs/dbraw/zinc/63/11/01/378631101.db2.gz MSFFQNOFEANZCV-UHFFFAOYSA-N -1 1 296.370 3.029 20 0 CGADMM CC(C)SCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289470734 197363040 /nfs/dbraw/zinc/36/30/40/197363040.db2.gz HEYAYIIIBJGIBC-UHFFFAOYSA-N -1 1 280.365 3.354 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000348876299 379095374 /nfs/dbraw/zinc/09/53/74/379095374.db2.gz BYEKLSYTSXHJLZ-OAHLLOKOSA-N -1 1 296.370 3.115 20 0 CGADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000370667114 296292689 /nfs/dbraw/zinc/29/26/89/296292689.db2.gz YGBAIPVWBFDJMX-SNVBAGLBSA-N -1 1 279.767 3.450 20 0 CGADMM CCOc1cc(-c2noc(CC3CC3)n2)cc(Cl)c1[O-] ZINC000277943904 379269587 /nfs/dbraw/zinc/26/95/87/379269587.db2.gz OGKSYOPBXLNNPX-UHFFFAOYSA-N -1 1 294.738 3.447 20 0 CGADMM [O-]c1ccc(-c2noc(CC[C@@H]3CCCCO3)n2)cc1F ZINC000278258231 379330368 /nfs/dbraw/zinc/33/03/68/379330368.db2.gz UNRTZQIBFXSLTC-NSHDSACASA-N -1 1 292.310 3.083 20 0 CGADMM CO[C@]1(C)CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000279913511 379551829 /nfs/dbraw/zinc/55/18/29/379551829.db2.gz GZETYWPOSHVYKF-OAHLLOKOSA-N -1 1 297.782 3.077 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccc(Cl)o3)n2)cc1F ZINC000350825149 379591690 /nfs/dbraw/zinc/59/16/90/379591690.db2.gz SMWCQRKIGTYCTE-UHFFFAOYSA-N -1 1 280.642 3.495 20 0 CGADMM C[C@@H](CNC(=O)N=c1[n-]sc2ccccc21)CC(F)F ZINC000640337002 379769811 /nfs/dbraw/zinc/76/98/11/379769811.db2.gz DMRIOQOZWGTHEC-MRVPVSSYSA-N -1 1 299.346 3.131 20 0 CGADMM CCCN(C(=O)N=c1[n-]sc2ccccc21)C1CC1 ZINC000640344055 379770882 /nfs/dbraw/zinc/77/08/82/379770882.db2.gz ZIQLKXJZQVKMAM-UHFFFAOYSA-N -1 1 275.377 3.125 20 0 CGADMM CC[C@H](CN=c1nc([C@@H](C)OC)[n-]s1)CC(F)(F)F ZINC000402696718 379972022 /nfs/dbraw/zinc/97/20/22/379972022.db2.gz QVMCAWGLRMVFMK-SFYZADRCSA-N -1 1 297.346 3.058 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1sccc1Cl)CC2 ZINC000405384897 379984264 /nfs/dbraw/zinc/98/42/64/379984264.db2.gz FVVWKWKOVKANRV-VIFPVBQESA-N -1 1 285.796 3.088 20 0 CGADMM CC1(CNC(=O)c2ccc3ccccc3c2[O-])CCOCC1 ZINC000267824764 190356611 /nfs/dbraw/zinc/35/66/11/190356611.db2.gz YSQUZSFGCNNIAW-UHFFFAOYSA-N -1 1 299.370 3.092 20 0 CGADMM CC(C)CCC[C@H](C)NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000354023742 380283954 /nfs/dbraw/zinc/28/39/54/380283954.db2.gz FNGPFRJVRBVIMW-NSHDSACASA-N -1 1 295.452 3.084 20 0 CGADMM CN(CCCC(=O)[O-])Cc1ccc(F)c(Cl)c1Cl ZINC000414634161 380347036 /nfs/dbraw/zinc/34/70/36/380347036.db2.gz AZSNMSQUJIFBJY-UHFFFAOYSA-N -1 1 294.153 3.429 20 0 CGADMM O=C([O-])C[C@H](NCc1ccc(Cl)o1)c1ccsc1 ZINC000417534039 380632781 /nfs/dbraw/zinc/63/27/81/380632781.db2.gz NQLVPODAEVDGHU-JTQLQIEISA-N -1 1 285.752 3.300 20 0 CGADMM O=C([O-])c1ccc(CNCc2cccs2)nc1C1CC1 ZINC000417705223 380668647 /nfs/dbraw/zinc/66/86/47/380668647.db2.gz NQOPMFMWTIWMIR-UHFFFAOYSA-N -1 1 288.372 3.009 20 0 CGADMM CCC[C@H]1C[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000360002197 381404863 /nfs/dbraw/zinc/40/48/63/381404863.db2.gz AGUKWJWPEVELMW-WCQYABFASA-N -1 1 285.347 3.157 20 0 CGADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000335105129 207676777 /nfs/dbraw/zinc/67/67/77/207676777.db2.gz PVQUWNIVXINJIB-YFKPBYRVSA-N -1 1 267.634 3.183 20 0 CGADMM COc1cc(C(=O)Nc2ccccc2F)cc(Cl)c1[O-] ZINC000335322354 208188926 /nfs/dbraw/zinc/18/89/26/208188926.db2.gz CHBFEFLYVMRQIL-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM Cc1ncsc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000289423616 197340798 /nfs/dbraw/zinc/34/07/98/197340798.db2.gz WPQFSKWSVWWLOV-UHFFFAOYSA-N -1 1 279.390 3.117 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CCC[C@@H]2C(C)(C)C)s[n-]1 ZINC000413569647 533119771 /nfs/dbraw/zinc/11/97/71/533119771.db2.gz FFIGYXHJFZHLFR-OUAUKWLOSA-N -1 1 283.441 3.294 20 0 CGADMM CC1(C)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000312053992 542431704 /nfs/dbraw/zinc/43/17/04/542431704.db2.gz YCJUHBSIXMBPRD-UHFFFAOYSA-N -1 1 255.317 3.027 20 0 CGADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1cc(F)ccc1[O-] ZINC000436820661 533529875 /nfs/dbraw/zinc/52/98/75/533529875.db2.gz IFRRGIHUNSXYKE-QMMMGPOBSA-N -1 1 293.260 3.382 20 0 CGADMM COc1cc(O)cc(-c2nc3cccc(C)c3c(=O)[n-]2)c1 ZINC000362595089 542587110 /nfs/dbraw/zinc/58/71/10/542587110.db2.gz ZNRJBHXXOQUDLU-UHFFFAOYSA-N -1 1 282.299 3.025 20 0 CGADMM COc1ccc(C(=O)Nc2cc(F)cc(F)c2F)c([O-])c1 ZINC000061120379 392125963 /nfs/dbraw/zinc/12/59/63/392125963.db2.gz ZASPPQYYIZFNFI-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM CC(C)c1ccc(S([O-])=CC(=O)c2ccc[nH]2)cc1 ZINC000108065505 392335930 /nfs/dbraw/zinc/33/59/30/392335930.db2.gz DYSYRYRAYMZQSU-IBGZPJMESA-N -1 1 275.373 3.129 20 0 CGADMM CC(C)c1ccc([S@](=O)C=C([O-])c2ccc[nH]2)cc1 ZINC000108065505 392335937 /nfs/dbraw/zinc/33/59/37/392335937.db2.gz DYSYRYRAYMZQSU-IBGZPJMESA-N -1 1 275.373 3.129 20 0 CGADMM CC[C@H](C)CC(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000361998328 392384005 /nfs/dbraw/zinc/38/40/05/392384005.db2.gz CIRKAVRAKYLTON-VIFPVBQESA-N -1 1 293.317 3.152 20 0 CGADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1cccnc1 ZINC000289560724 392424121 /nfs/dbraw/zinc/42/41/21/392424121.db2.gz PNSUQIBWMFABTI-ZETCQYMHSA-N -1 1 283.303 3.368 20 0 CGADMM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ncccc1[O-] ZINC000153762514 392527958 /nfs/dbraw/zinc/52/79/58/392527958.db2.gz ZLQBZSNGNSZUFR-ZDUSSCGKSA-N -1 1 284.359 3.228 20 0 CGADMM CN(Cc1c(F)cccc1F)C(=O)c1ccc([O-])c(F)c1 ZINC000647366370 392710803 /nfs/dbraw/zinc/71/08/03/392710803.db2.gz AMRGSFDWLBRZNM-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM CCCC[C@@H](C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000506260109 392719628 /nfs/dbraw/zinc/71/96/28/392719628.db2.gz OVSZHRDQYRISAE-SNVBAGLBSA-N -1 1 277.393 3.325 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC23CC3)c1 ZINC000335173340 392781578 /nfs/dbraw/zinc/78/15/78/392781578.db2.gz MNCJGASYALLQIT-QMMMGPOBSA-N -1 1 296.164 3.202 20 0 CGADMM CC[C@@H](CC1CCCCC1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000647815562 392808226 /nfs/dbraw/zinc/80/82/26/392808226.db2.gz BQIZOLPYWTXRPP-LBPRGKRZSA-N -1 1 279.384 3.359 20 0 CGADMM CC[C@H](C)Oc1ccc(-c2nc3cccnc3c(=O)[n-]2)cc1 ZINC000491586293 542717778 /nfs/dbraw/zinc/71/77/78/542717778.db2.gz LVNNXQCGIXVYLH-NSHDSACASA-N -1 1 295.342 3.162 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2ccccc2F)n1 ZINC000195070730 392954720 /nfs/dbraw/zinc/95/47/20/392954720.db2.gz ZGYYCFABSROTRD-VIFPVBQESA-N -1 1 278.352 3.325 20 0 CGADMM CCCN(CC(=O)[O-])Cc1cc2cc(C)c(C)cc2o1 ZINC000263426182 393149911 /nfs/dbraw/zinc/14/99/11/393149911.db2.gz QNNXWPVCGZMZNV-UHFFFAOYSA-N -1 1 275.348 3.346 20 0 CGADMM C[C@]1([N-]S(=O)(=O)c2sccc2Cl)CC=CCC1 ZINC000416563556 393316456 /nfs/dbraw/zinc/31/64/56/393316456.db2.gz ZDNOTLCSIBASPX-NSHDSACASA-N -1 1 291.825 3.179 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(Cl)sc1Cl ZINC000646412806 393280248 /nfs/dbraw/zinc/28/02/48/393280248.db2.gz AUJUNBSYMVZEAQ-UHFFFAOYSA-N -1 1 292.147 3.044 20 0 CGADMM CCCc1nc(-c2nc(=O)c3cc(C)sc3[n-]2)co1 ZINC000281018220 393347820 /nfs/dbraw/zinc/34/78/20/393347820.db2.gz ODDKSUPBDINLLH-UHFFFAOYSA-N -1 1 275.333 3.313 20 0 CGADMM O=C([O-])[C@@H]1C[C@H](NCc2ccc(Cl)o2)c2ccccc21 ZINC000417637565 393352546 /nfs/dbraw/zinc/35/25/46/393352546.db2.gz ZCIUEQJNAKPJCJ-OLZOCXBDSA-N -1 1 291.734 3.336 20 0 CGADMM CC[C@H](C)[C@H](C)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000356331042 393421439 /nfs/dbraw/zinc/42/14/39/393421439.db2.gz CPGTTZGDAVXIGK-UWVGGRQHSA-N -1 1 277.393 3.181 20 0 CGADMM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000360887796 393606537 /nfs/dbraw/zinc/60/65/37/393606537.db2.gz LGRYAOKSKLWVIV-UWVGGRQHSA-N -1 1 291.363 3.068 20 0 CGADMM CN(CCCC(=O)[O-])Cc1csc(-c2cccs2)n1 ZINC000430665082 393583602 /nfs/dbraw/zinc/58/36/02/393583602.db2.gz XFCDTPHFPVBETE-UHFFFAOYSA-N -1 1 296.417 3.168 20 0 CGADMM O=C(/C=C\c1ccsc1)Nc1ccc(F)cc1[O-] ZINC000492305292 393716970 /nfs/dbraw/zinc/71/69/70/393716970.db2.gz VGKNMOPWVMTSGP-RJRFIUFISA-N -1 1 263.293 3.245 20 0 CGADMM [O-]c1ccc(-c2noc(Cc3cccc(F)c3)n2)c(F)c1 ZINC000445453353 393795355 /nfs/dbraw/zinc/79/53/55/393795355.db2.gz IELGHWOCCHNYBD-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM [O-]c1ccc(-c2noc(CCC3CCC3)n2)c(F)c1 ZINC000445453750 393795529 /nfs/dbraw/zinc/79/55/29/393795529.db2.gz JMTZQOORSKONNR-UHFFFAOYSA-N -1 1 262.284 3.314 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3Cc4ccccc4O3)n2)c(F)c1 ZINC000445460176 393796454 /nfs/dbraw/zinc/79/64/54/393796454.db2.gz OAKYJKALTFRRKA-AWEZNQCLSA-N -1 1 298.273 3.258 20 0 CGADMM CC[C@]1(C)C[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483856 393799821 /nfs/dbraw/zinc/79/98/21/393799821.db2.gz VPQAIUAIDHVQAP-YMTOWFKASA-N -1 1 262.284 3.485 20 0 CGADMM CCC[C@H](C)CC(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000499749288 393805270 /nfs/dbraw/zinc/80/52/70/393805270.db2.gz KCPYIQRDWXDEPP-JTQLQIEISA-N -1 1 277.393 3.325 20 0 CGADMM CC(C)OC(C)(C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000453177093 394197031 /nfs/dbraw/zinc/19/70/31/394197031.db2.gz NGBABOGGHRIFHG-UHFFFAOYSA-N -1 1 280.299 3.241 20 0 CGADMM CCCOCc1nc(=O)c2cc(C(F)(F)F)sc2[n-]1 ZINC000668145677 542975409 /nfs/dbraw/zinc/97/54/09/542975409.db2.gz VXNCQJIGFMPILM-UHFFFAOYSA-N -1 1 292.282 3.342 20 0 CGADMM O=C([N-]c1cnoc1)c1cc(-c2ccccc2)ns1 ZINC000673653510 543250223 /nfs/dbraw/zinc/25/02/23/543250223.db2.gz GUQRPZPAAPHQGA-UHFFFAOYSA-N -1 1 271.301 3.050 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CGADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000005814971 170142583 /nfs/dbraw/zinc/14/25/83/170142583.db2.gz ZBOMICIWIPOVFR-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(Cl)cc1[O-] ZINC000124686551 287235972 /nfs/dbraw/zinc/23/59/72/287235972.db2.gz FPNANXQGYCLEPE-ONGXEEELSA-N -1 1 267.756 3.449 20 0 CGADMM CC[C@H](C)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000035221376 172064061 /nfs/dbraw/zinc/06/40/61/172064061.db2.gz CVWCFEYQZKINOQ-NSHDSACASA-N -1 1 257.333 3.416 20 0 CGADMM CCN(Cc1cccc(C(=O)[O-])c1Cl)[C@H]1CCCOC1 ZINC000402589464 416547563 /nfs/dbraw/zinc/54/75/63/416547563.db2.gz KGTCHSQPNXWWOY-LBPRGKRZSA-N -1 1 297.782 3.039 20 0 CGADMM CC[C@H]1CN(Cc2cc(C(=O)[O-])sc2C)[C@@H](CC)CO1 ZINC000403794232 416549365 /nfs/dbraw/zinc/54/93/65/416549365.db2.gz ZFKWHEBWHRLUJR-STQMWFEESA-N -1 1 297.420 3.144 20 0 CGADMM CC[C@H]1COC(C)(C)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000403829788 416549806 /nfs/dbraw/zinc/54/98/06/416549806.db2.gz PRIQLUZBMUETDQ-NSHDSACASA-N -1 1 297.782 3.075 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])CCc2ccccc21 ZINC000404805937 416557466 /nfs/dbraw/zinc/55/74/66/416557466.db2.gz YGBCDQBFMHNMGD-GFCCVEGCSA-N -1 1 299.345 3.333 20 0 CGADMM CC1(C(=O)[O-])CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000124461835 416507152 /nfs/dbraw/zinc/50/71/52/416507152.db2.gz VWYMFLMCDJZUDE-UHFFFAOYSA-N -1 1 285.746 3.166 20 0 CGADMM O=C(/C=C/c1cccnc1)Nc1ccc([O-])c(Cl)c1 ZINC000129597869 287335454 /nfs/dbraw/zinc/33/54/54/287335454.db2.gz AYIHCHSGOSMUAV-ZZXKWVIFSA-N -1 1 274.707 3.093 20 0 CGADMM Cc1cc(N(C)C)ccc1NC(=O)c1ccccc1[O-] ZINC000129699366 287337644 /nfs/dbraw/zinc/33/76/44/287337644.db2.gz JWSMFEIPEOWUGP-UHFFFAOYSA-N -1 1 270.332 3.019 20 0 CGADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2C)cc1O ZINC000680809848 543735432 /nfs/dbraw/zinc/73/54/32/543735432.db2.gz RZVBNPMPETWLMD-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM CC1(C)CCC[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000681344608 543782297 /nfs/dbraw/zinc/78/22/97/543782297.db2.gz HQTFSPHEKAKKPC-VIFPVBQESA-N -1 1 251.301 3.296 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1)c1ccc([O-])c(F)c1 ZINC000681015636 543756489 /nfs/dbraw/zinc/75/64/89/543756489.db2.gz IKGTZOPZSZGJQY-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM CC[C@H](NC(=O)c1ccc([O-])c(F)c1)c1nc(C)cs1 ZINC000681041231 543759881 /nfs/dbraw/zinc/75/98/81/543759881.db2.gz CLGZQTVSKMMHOV-NSHDSACASA-N -1 1 294.351 3.177 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])c(F)c2)[C@@H](C)C1 ZINC000681046479 543760654 /nfs/dbraw/zinc/76/06/54/543760654.db2.gz KOZYNAGPKJNRIN-GBIKHYSHSA-N -1 1 265.328 3.086 20 0 CGADMM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681049055 543760839 /nfs/dbraw/zinc/76/08/39/543760839.db2.gz LFCWJPSNMZCZAU-ZYHUDNBSSA-N -1 1 265.328 3.230 20 0 CGADMM CC[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000130508044 287357349 /nfs/dbraw/zinc/35/73/49/287357349.db2.gz IPPYIWHYFAKMAV-GFCCVEGCSA-N -1 1 269.344 3.418 20 0 CGADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1c([O-])cccc1F ZINC000681121851 543768847 /nfs/dbraw/zinc/76/88/47/543768847.db2.gz QDCTVPIACRYHER-VHSXEESVSA-N -1 1 251.301 3.296 20 0 CGADMM Cc1cc(C)c2c(c1)CN(C(=O)c1ccc([O-])c(F)c1)CC2 ZINC000681630184 543797236 /nfs/dbraw/zinc/79/72/36/543797236.db2.gz OINDGCDBWZPIRO-UHFFFAOYSA-N -1 1 299.345 3.347 20 0 CGADMM CC[C@H](NC(=O)c1c([O-])cccc1F)c1c(C)noc1C ZINC000130830457 287364284 /nfs/dbraw/zinc/36/42/84/287364284.db2.gz AOKFQFKMNCSBSZ-NSHDSACASA-N -1 1 292.310 3.017 20 0 CGADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000682813123 543870823 /nfs/dbraw/zinc/87/08/23/543870823.db2.gz DNNYJGQOZYRHRB-MXWKQRLJSA-N -1 1 265.328 3.038 20 0 CGADMM CCn1ccc(CN(C)C(=O)c2cc(Cl)ccc2[O-])c1 ZINC000682947405 543880869 /nfs/dbraw/zinc/88/08/69/543880869.db2.gz MYIOBTOCRXOHBF-UHFFFAOYSA-N -1 1 292.766 3.139 20 0 CGADMM O=C([O-])[C@H](NCc1cccc(F)c1)c1cc(F)ccc1F ZINC000683175332 543901434 /nfs/dbraw/zinc/90/14/34/543901434.db2.gz VEGKIBKBBHXXDH-CQSZACIVSA-N -1 1 295.260 3.019 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(Cl)cn1 ZINC000684319949 543979933 /nfs/dbraw/zinc/97/99/33/543979933.db2.gz IXUXXLGKBNIDKE-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM Cc1cccc2c1CCN2C(=O)c1c(F)ccc([O-])c1F ZINC000684871502 544034953 /nfs/dbraw/zinc/03/49/53/544034953.db2.gz CKMACDYTDLPISB-UHFFFAOYSA-N -1 1 289.281 3.182 20 0 CGADMM O=C(NC1(C(F)F)CCCC1)c1ccc(Cl)cc1[O-] ZINC000685279640 544059585 /nfs/dbraw/zinc/05/95/85/544059585.db2.gz HXGYSODXSHXKPL-UHFFFAOYSA-N -1 1 289.709 3.353 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2c([O-])cccc2F)nc1 ZINC000685743147 544096045 /nfs/dbraw/zinc/09/60/45/544096045.db2.gz QDKRLGUCBOBKEY-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM Cc1noc(-c2ccccc2)c1NC(=O)c1cncc([O-])c1 ZINC000354781764 227103691 /nfs/dbraw/zinc/10/36/91/227103691.db2.gz KNOZKIVFAZXSCR-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM CC1(C2(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)CC2)CC1 ZINC000654216329 418943799 /nfs/dbraw/zinc/94/37/99/418943799.db2.gz PHZGBXKBEGLFRU-UHFFFAOYSA-N -1 1 299.292 3.474 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ccnn2C(C)C)c1 ZINC000665532405 419134633 /nfs/dbraw/zinc/13/46/33/419134633.db2.gz IXJJIRRZSDCWBO-UHFFFAOYSA-N -1 1 291.376 3.144 20 0 CGADMM CC(C)(C)c1ccc(CN(CC(=O)[O-])C2CCC2)s1 ZINC000656100753 419141638 /nfs/dbraw/zinc/14/16/38/419141638.db2.gz CVRUHNFMXKDVDQ-UHFFFAOYSA-N -1 1 281.421 3.485 20 0 CGADMM CCN(C(=O)c1ccc([O-])c(F)c1)C1CC(C)(C)C1 ZINC000665667442 419146052 /nfs/dbraw/zinc/14/60/52/419146052.db2.gz GWYKIAIKEHEKCG-UHFFFAOYSA-N -1 1 265.328 3.182 20 0 CGADMM O=C([O-])C12CC(C1)CN2Cc1cccc(Cl)c1Cl ZINC000656759601 419210907 /nfs/dbraw/zinc/21/09/07/419210907.db2.gz AVCJJXXMAUGTRI-UHFFFAOYSA-N -1 1 286.158 3.042 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CNCc2cccc(C(=O)[O-])c2)o1 ZINC000666573413 419226840 /nfs/dbraw/zinc/22/68/40/419226840.db2.gz MVZZDENIBGSXQL-IAQYHMDHSA-N -1 1 285.343 3.391 20 0 CGADMM O=C([O-])C1(c2ccccc2-c2cc(C(F)(F)F)n[nH]2)CC1 ZINC000657203177 419230500 /nfs/dbraw/zinc/23/05/00/419230500.db2.gz JHCYAXZAUYSAJQ-UHFFFAOYSA-N -1 1 296.248 3.212 20 0 CGADMM O=C([O-])CCc1cc(-c2cc(C(F)(F)F)n[nH]2)cs1 ZINC000657202918 419230811 /nfs/dbraw/zinc/23/08/11/419230811.db2.gz CJKFSZPDTGPACV-UHFFFAOYSA-N -1 1 290.266 3.174 20 0 CGADMM CCc1nc(S[C@@H](C)c2ccncc2)[n-]c(=O)c1C ZINC000657264960 419240035 /nfs/dbraw/zinc/24/00/35/419240035.db2.gz VPIHMXIIHNANOJ-JTQLQIEISA-N -1 1 275.377 3.301 20 0 CGADMM Cc1nccc(N2CCC[C@H](CCC(=O)[O-])C2)c1Cl ZINC000662887436 419502033 /nfs/dbraw/zinc/50/20/33/419502033.db2.gz IEPWPLNOSYCVHZ-LLVKDONJSA-N -1 1 282.771 3.125 20 0 CGADMM CC1(C)C[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000044365506 270035750 /nfs/dbraw/zinc/03/57/50/270035750.db2.gz KAOYIQISYLHYAG-CQSZACIVSA-N -1 1 255.317 3.074 20 0 CGADMM CCOc1cc(NC(=O)c2ccccc2[O-])ccc1OC ZINC000046511883 270039787 /nfs/dbraw/zinc/03/97/87/270039787.db2.gz LNMUUKPHGQNSNL-UHFFFAOYSA-N -1 1 287.315 3.052 20 0 CGADMM CCOc1ccc(OC)cc1NC(=O)c1ccccc1[O-] ZINC000105376750 270047598 /nfs/dbraw/zinc/04/75/98/270047598.db2.gz RLBPCIRCUKHEOH-UHFFFAOYSA-N -1 1 287.315 3.052 20 0 CGADMM [O-]c1ccc(-c2nc(Cc3ccccc3F)no2)c(F)c1 ZINC000230228706 270088900 /nfs/dbraw/zinc/08/89/00/270088900.db2.gz MPYHAPXWRLBJMF-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM C[C@@H]1[C@H](c2nc(-c3ccc([O-])cc3F)no2)[C@H]1C1CC1 ZINC000528166884 270156364 /nfs/dbraw/zinc/15/63/64/270156364.db2.gz HWTOAPXKBBKLEZ-YLJLNXRRSA-N -1 1 274.295 3.341 20 0 CGADMM CCC(C)(C)OC1CN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000529812304 270189215 /nfs/dbraw/zinc/18/92/15/270189215.db2.gz KXMFDQWYRVAOCM-UHFFFAOYSA-N -1 1 297.782 3.075 20 0 CGADMM Cc1cccc(CCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000531756491 270209549 /nfs/dbraw/zinc/20/95/49/270209549.db2.gz YVIWRIITEISFAX-UHFFFAOYSA-N -1 1 273.307 3.411 20 0 CGADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])c1cccc(F)c1 ZINC000532266292 270214768 /nfs/dbraw/zinc/21/47/68/270214768.db2.gz DSDHCBGJOGKTJI-VIFPVBQESA-N -1 1 277.270 3.413 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1C ZINC000532266673 270214792 /nfs/dbraw/zinc/21/47/92/270214792.db2.gz PGVDCYCGMITZHP-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM C[C@@H]1CSC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000397839774 288032032 /nfs/dbraw/zinc/03/20/32/288032032.db2.gz GGFOFIZQODHHFR-QMTHXVAHSA-N -1 1 287.384 3.027 20 0 CGADMM CC[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@@H](CC)O1 ZINC000398717456 288047827 /nfs/dbraw/zinc/04/78/27/288047827.db2.gz HJHPVRVEHPIRML-CHWSQXEVSA-N -1 1 283.799 3.435 20 0 CGADMM CC[C@@]1(C)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000399316538 288050958 /nfs/dbraw/zinc/05/09/58/288050958.db2.gz WGEIVFVCMLUUDP-AWEZNQCLSA-N -1 1 267.756 3.308 20 0 CGADMM C[C@@]1(CC(=O)Nc2cccc(F)c2[O-])CC1(Cl)Cl ZINC000530003792 288280444 /nfs/dbraw/zinc/28/04/44/288280444.db2.gz DGZLTTAMCFSSDI-LLVKDONJSA-N -1 1 292.137 3.444 20 0 CGADMM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cccc(F)c2[O-])CCO1 ZINC000530006685 288282138 /nfs/dbraw/zinc/28/21/38/288282138.db2.gz SWWXVENBTNRCIM-SMDDNHRTSA-N -1 1 295.354 3.311 20 0 CGADMM CC[C@]1(C)CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289532382 288439813 /nfs/dbraw/zinc/43/98/13/288439813.db2.gz HSRYEFCRBSYLJE-OAHLLOKOSA-N -1 1 283.318 3.323 20 0 CGADMM CCOC1(CN=c2[n-]c(C(F)(F)F)cs2)CCCC1 ZINC000555205518 289333088 /nfs/dbraw/zinc/33/30/88/289333088.db2.gz LZUHCXOGUHMWRF-UHFFFAOYSA-N -1 1 294.342 3.345 20 0 CGADMM Cn1cc(C=C2SC(=S)[N-]C2=O)c(C(C)(C)C)n1 ZINC000093872673 294196528 /nfs/dbraw/zinc/19/65/28/294196528.db2.gz WGONLDKGVDJFAC-VMPITWQZSA-N -1 1 281.406 3.047 20 0 CGADMM O=C(c1ccc([O-])cc1F)N(Cc1ccccc1)C1CC1 ZINC000154620924 321746397 /nfs/dbraw/zinc/74/63/97/321746397.db2.gz YOTGGFSXEVIHDZ-UHFFFAOYSA-N -1 1 285.318 3.336 20 0 CGADMM O=C([O-])[C@H](NCc1cccc(F)c1F)c1cccc(F)c1 ZINC000563823873 322011743 /nfs/dbraw/zinc/01/17/43/322011743.db2.gz WSYNZSDPHYPNQY-CQSZACIVSA-N -1 1 295.260 3.019 20 0 CGADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@@H](C)S1 ZINC000564338186 322028203 /nfs/dbraw/zinc/02/82/03/322028203.db2.gz XJFMKYMZNMWEMS-NXEZZACHSA-N -1 1 299.823 3.364 20 0 CGADMM CCc1ccc([C@H]2CCCN2Cc2ccoc2C(=O)[O-])o1 ZINC000564575111 322034837 /nfs/dbraw/zinc/03/48/37/322034837.db2.gz FEUPBVSWBDNQKH-CYBMUJFWSA-N -1 1 289.331 3.470 20 0 CGADMM [O-]c1ccc(-c2noc([C@@]34C[C@@H]3CCC4)n2)c(F)c1 ZINC000564807479 322043849 /nfs/dbraw/zinc/04/38/49/322043849.db2.gz WPLVMZPVIGJZDO-RTHLEPHNSA-N -1 1 260.268 3.023 20 0 CGADMM CCCC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000565107996 322061094 /nfs/dbraw/zinc/06/10/94/322061094.db2.gz SWXDBYGLNBAZAU-KGLIPLIRSA-N -1 1 295.379 3.206 20 0 CGADMM CCCC[C@@H](C(=O)[O-])N1CCC[C@@H]1c1ccc(COC)o1 ZINC000565107996 322061097 /nfs/dbraw/zinc/06/10/97/322061097.db2.gz SWXDBYGLNBAZAU-KGLIPLIRSA-N -1 1 295.379 3.206 20 0 CGADMM CCc1nc(SC[C@H](C)C(F)(F)F)[n-]c(=O)c1C ZINC000565243405 322069925 /nfs/dbraw/zinc/06/99/25/322069925.db2.gz YEQZKNUURPXDLY-LURJTMIESA-N -1 1 280.315 3.344 20 0 CGADMM C[C@@H](c1ccco1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000566357619 322117216 /nfs/dbraw/zinc/11/72/16/322117216.db2.gz FRXWOJRZHYLPQE-VIFPVBQESA-N -1 1 265.334 3.232 20 0 CGADMM COc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000566567868 322129987 /nfs/dbraw/zinc/12/99/87/322129987.db2.gz AUNBQDOZYCWHAD-UHFFFAOYSA-N -1 1 298.314 3.421 20 0 CGADMM Cc1nc(C)c([C@@H](C)N(C)Cc2occc2C(=O)[O-])s1 ZINC000569493462 322248931 /nfs/dbraw/zinc/24/89/31/322248931.db2.gz ZLIMILYNRBULHF-SECBINFHSA-N -1 1 294.376 3.244 20 0 CGADMM Cc1cnc(SC[C@H]2CCCC[C@H]2C)[n-]c1=O ZINC000570651108 322278965 /nfs/dbraw/zinc/27/89/65/322278965.db2.gz RYUYMNYCSHDSHA-MWLCHTKSSA-N -1 1 252.383 3.409 20 0 CGADMM Cc1nc(CNCc2ccc(C3CC3)cc2)ccc1C(=O)[O-] ZINC000583193327 329354829 /nfs/dbraw/zinc/35/48/29/329354829.db2.gz WNJVPRVPYZEWFL-UHFFFAOYSA-N -1 1 296.370 3.255 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1ccccc1 ZINC000035432238 330246742 /nfs/dbraw/zinc/24/67/42/330246742.db2.gz DVPCUALYDWITQP-UHFFFAOYSA-N -1 1 273.332 3.308 20 0 CGADMM COc1cccc(C)c1NC(=O)c1cc(F)ccc1[O-] ZINC000192947057 335328984 /nfs/dbraw/zinc/32/89/84/335328984.db2.gz TXBLUIWCHXDNJO-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM Cc1oc(-c2ccsc2)nc1CN(C)[C@H](C)CC(=O)[O-] ZINC000577508549 335362109 /nfs/dbraw/zinc/36/21/09/335362109.db2.gz JORBYYXDGDOZAX-SECBINFHSA-N -1 1 294.376 3.007 20 0 CGADMM C[C@H](c1nc(-c2ccc([O-])cc2F)no1)c1cccnc1 ZINC000350814338 335536154 /nfs/dbraw/zinc/53/61/54/335536154.db2.gz PCBLOFIBNQBNSR-VIFPVBQESA-N -1 1 285.278 3.128 20 0 CGADMM CCCc1nc(CSc2ncc(C)c(=O)[n-]2)cs1 ZINC000578550699 335648765 /nfs/dbraw/zinc/64/87/65/335648765.db2.gz LLRATJOPOBGIFA-UHFFFAOYSA-N -1 1 281.406 3.192 20 0 CGADMM CC(C)(C)[C@@H]1CCCN(Cc2nc(C(=O)[O-])cs2)CC1 ZINC000381232364 336055915 /nfs/dbraw/zinc/05/59/15/336055915.db2.gz STLBFAPWTIATAL-LLVKDONJSA-N -1 1 296.436 3.490 20 0 CGADMM CCN(Cc1c(F)cccc1F)CC1(CC(=O)[O-])CC1 ZINC000581374917 336064156 /nfs/dbraw/zinc/06/41/56/336064156.db2.gz HPUASDOUZSCOBN-UHFFFAOYSA-N -1 1 283.318 3.042 20 0 CGADMM CC1=CCN(Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000382487447 336091346 /nfs/dbraw/zinc/09/13/46/336091346.db2.gz WRWIGZQPJXGOBF-UHFFFAOYSA-N -1 1 265.740 3.190 20 0 CGADMM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000387183358 336187371 /nfs/dbraw/zinc/18/73/71/336187371.db2.gz XIVBOYRBRUIAMY-GXTWGEPZSA-N -1 1 299.370 3.185 20 0 CGADMM CS[C@@H](C)CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445481011 533906573 /nfs/dbraw/zinc/90/65/73/533906573.db2.gz NEHPXJPCPXZHEI-QMMMGPOBSA-N -1 1 282.340 3.265 20 0 CGADMM O=C(Nc1cccc(C2CC2)n1)c1cc(F)ccc1[O-] ZINC000436997623 534336297 /nfs/dbraw/zinc/33/62/97/534336297.db2.gz NPNFTIMJBKIIHF-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM O=C(Nc1csc(-c2ccccn2)n1)c1ccccc1[O-] ZINC000436904038 534469363 /nfs/dbraw/zinc/46/93/63/534469363.db2.gz PFIBIEDRXWFMLM-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc(F)ccc1[O-] ZINC000436502129 534557171 /nfs/dbraw/zinc/55/71/71/534557171.db2.gz GICBDATWPBVXCB-SECBINFHSA-N -1 1 287.281 3.087 20 0 CGADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2c(F)cccc2Cl)C1 ZINC000263138267 525367790 /nfs/dbraw/zinc/36/77/90/525367790.db2.gz DJZMARHQRFLQMD-ZJUUUORDSA-N -1 1 285.746 3.022 20 0 CGADMM C/C=C\c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436837678 526341721 /nfs/dbraw/zinc/34/17/21/526341721.db2.gz IJXOJSABWVSIIW-IHWYPQMZSA-N -1 1 269.300 3.383 20 0 CGADMM CC(C)[C@H]1CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436794579 527804978 /nfs/dbraw/zinc/80/49/78/527804978.db2.gz VQNYQTNFZZDQPQ-LLVKDONJSA-N -1 1 287.281 3.282 20 0 CGADMM CCCCCOC1CN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436571038 528221029 /nfs/dbraw/zinc/22/10/29/528221029.db2.gz BQLFFGUFHFRDMS-UHFFFAOYSA-N -1 1 297.782 3.077 20 0 CGADMM CC1(C)CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000726986557 571697620 /nfs/dbraw/zinc/69/76/20/571697620.db2.gz SOSNRYYJQFUYRI-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM Cc1csc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)n1 ZINC000727858701 571773547 /nfs/dbraw/zinc/77/35/47/571773547.db2.gz GMYLPVGPDOFHHE-MRVPVSSYSA-N -1 1 296.779 3.302 20 0 CGADMM Cc1ccccc1Sc1cccc(F)c1-c1nn[n-]n1 ZINC000737432231 572342992 /nfs/dbraw/zinc/34/29/92/572342992.db2.gz RVFNITYWYDWQDX-UHFFFAOYSA-N -1 1 286.335 3.465 20 0 CGADMM Cc1cc(CNC2(c3ccccc3)CCC2)oc1C(=O)[O-] ZINC000738388756 572373431 /nfs/dbraw/zinc/37/34/31/572373431.db2.gz MEUZNMNCSKJYKU-UHFFFAOYSA-N -1 1 285.343 3.455 20 0 CGADMM O=C([N-][C@H](CC1CC1)c1ccccc1)C(F)(F)F ZINC000742114748 572554094 /nfs/dbraw/zinc/55/40/94/572554094.db2.gz UPNMUPVCAOYEEE-LLVKDONJSA-N -1 1 257.255 3.206 20 0 CGADMM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1c([O-])cccc1F ZINC000743416175 572657943 /nfs/dbraw/zinc/65/79/43/572657943.db2.gz ORMSMZPZDGNVIZ-JTQLQIEISA-N -1 1 291.297 3.488 20 0 CGADMM O=C([N-]C(C1CCCC1)C1CCCC1)C(F)(F)F ZINC000735475104 572724666 /nfs/dbraw/zinc/72/46/66/572724666.db2.gz RCUOCQDMLRNPDC-UHFFFAOYSA-N -1 1 263.303 3.414 20 0 CGADMM CCC[C@@H]1CCCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC000736435094 572791337 /nfs/dbraw/zinc/79/13/37/572791337.db2.gz JMKWKJIDGKQVPD-NEPJUHHUSA-N -1 1 286.383 3.033 20 0 CGADMM CCC[C@@H]1CCCC[C@@H]1Nc1cccc(-c2nn[n-]n2)n1 ZINC000736435094 572791341 /nfs/dbraw/zinc/79/13/41/572791341.db2.gz JMKWKJIDGKQVPD-NEPJUHHUSA-N -1 1 286.383 3.033 20 0 CGADMM CCCCN1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000736995925 572834245 /nfs/dbraw/zinc/83/42/45/572834245.db2.gz RJGJAQXIGCBSJK-UHFFFAOYSA-N -1 1 272.348 3.024 20 0 CGADMM Cc1cc(C)cc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC000737253291 572867748 /nfs/dbraw/zinc/86/77/48/572867748.db2.gz QARNIKOSUKWHKR-GFCCVEGCSA-N -1 1 294.362 3.052 20 0 CGADMM Cc1cc(C)cc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC000737253291 572867753 /nfs/dbraw/zinc/86/77/53/572867753.db2.gz QARNIKOSUKWHKR-GFCCVEGCSA-N -1 1 294.362 3.052 20 0 CGADMM O=C([O-])c1ccc(CN[C@H]2CSc3ccccc32)cc1 ZINC000819676056 597244975 /nfs/dbraw/zinc/24/49/75/597244975.db2.gz GBOTZDNXFUAHNP-AWEZNQCLSA-N -1 1 285.368 3.321 20 0 CGADMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1)c1cc(F)ccc1F ZINC000050508431 600421958 /nfs/dbraw/zinc/42/19/58/600421958.db2.gz SFWLRPQHJNKNOT-BMIGLBTASA-N -1 1 291.297 3.441 20 0 CGADMM C[C@H](Sc1cccc(-c2nn[n-]n2)n1)c1cccs1 ZINC000824757276 607899761 /nfs/dbraw/zinc/89/97/61/607899761.db2.gz VNQDHXZZEROXBZ-QMMMGPOBSA-N -1 1 289.389 3.177 20 0 CGADMM CCCC[C@H](Sc1nc2ccc(OC)cc2[nH]1)C(=O)[O-] ZINC000132399519 600935089 /nfs/dbraw/zinc/93/50/89/600935089.db2.gz CJNALFQZIDMOJI-LBPRGKRZSA-N -1 1 294.376 3.307 20 0 CGADMM C[C@@H]1CN(Cc2ccoc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000828462014 601179504 /nfs/dbraw/zinc/17/95/04/601179504.db2.gz FYPOGRSMBXCYLT-BXUZGUMPSA-N -1 1 271.316 3.171 20 0 CGADMM Clc1ccccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000826353244 607523457 /nfs/dbraw/zinc/52/34/57/607523457.db2.gz HKGMNVHNNQVHNI-UHFFFAOYSA-N -1 1 291.767 3.194 20 0 CGADMM Cc1ccc(Cl)cc1-n1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000899362539 620668679 /nfs/dbraw/zinc/66/86/79/620668679.db2.gz WQEKNJQJIDMWGW-ZANVPECISA-N -1 1 262.740 3.397 20 0 CGADMM CC[C@H](C)[C@@H](N[C@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000828739927 604407455 /nfs/dbraw/zinc/40/74/55/604407455.db2.gz SZIQGPWOIFXKIZ-OPQQBVKSSA-N -1 1 292.404 3.446 20 0 CGADMM Cc1c(-c2ccccc2)[n-]n(C2CCC(F)(F)CC2)c1=O ZINC000899366075 620674100 /nfs/dbraw/zinc/67/41/00/620674100.db2.gz HXTJNPNQQBCXKH-NSHDSACASA-N -1 1 292.329 3.447 20 0 CGADMM C[C@H]1C[C@@H]1c1ccc(CN(CC(=O)[O-])C2CCCC2)o1 ZINC000086749087 604662591 /nfs/dbraw/zinc/66/25/91/604662591.db2.gz CJJCKRABWXIYOI-FZMZJTMJSA-N -1 1 277.364 3.232 20 0 CGADMM O=C([O-])c1csc(NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000833342588 604707157 /nfs/dbraw/zinc/70/71/57/604707157.db2.gz GIUYUOSSKVQBCR-UHFFFAOYSA-N -1 1 297.719 3.058 20 0 CGADMM CC1(C)CN(Cc2ccc(C(=O)[O-])o2)Cc2ccccc21 ZINC000833561846 604777443 /nfs/dbraw/zinc/77/74/43/604777443.db2.gz VOVCEXFLOZQZPX-UHFFFAOYSA-N -1 1 285.343 3.271 20 0 CGADMM CC1(C)c2ccccc2CCN1Cc1cc(C(=O)[O-])co1 ZINC000833563759 605020928 /nfs/dbraw/zinc/02/09/28/605020928.db2.gz NHRLAJGQKOHUIM-UHFFFAOYSA-N -1 1 285.343 3.271 20 0 CGADMM CCc1ccc([C@@H](C)NCc2cc(C(=O)[O-])co2)cc1 ZINC000228160347 605060275 /nfs/dbraw/zinc/06/02/75/605060275.db2.gz HXXNQVZESGBYHO-LLVKDONJSA-N -1 1 273.332 3.391 20 0 CGADMM CCCC[C@@H](CNC(=O)[O-])N[C@@H](C)c1cccnc1Cl ZINC000826806762 605113047 /nfs/dbraw/zinc/11/30/47/605113047.db2.gz QMPDNEZAXPXQOI-QWRGUYRKSA-N -1 1 299.802 3.212 20 0 CGADMM O=C([O-])NC1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000834188746 605484203 /nfs/dbraw/zinc/48/42/03/605484203.db2.gz BRNVGIXJZSEZOR-OWOJBTEDSA-N -1 1 294.782 3.085 20 0 CGADMM O=C([O-])Nc1cccc(CN2CC3(C2)CC(F)(F)C3)c1 ZINC000834268240 605620513 /nfs/dbraw/zinc/62/05/13/605620513.db2.gz HKFLHVDBXQVNSQ-UHFFFAOYSA-N -1 1 282.290 3.008 20 0 CGADMM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccoc1C(=O)[O-] ZINC000833605218 605700942 /nfs/dbraw/zinc/70/09/42/605700942.db2.gz ILSSEAXVRGLIQG-WPRPVWTQSA-N -1 1 291.269 3.141 20 0 CGADMM CC(C)c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000820196873 606132059 /nfs/dbraw/zinc/13/20/59/606132059.db2.gz DWRJVQAWRSBYDT-UHFFFAOYSA-N -1 1 283.335 3.195 20 0 CGADMM CC(C)c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000820196873 606132060 /nfs/dbraw/zinc/13/20/60/606132060.db2.gz DWRJVQAWRSBYDT-UHFFFAOYSA-N -1 1 283.335 3.195 20 0 CGADMM C[C@H](Sc1cccc(-c2nnn[n-]2)n1)c1cccs1 ZINC000824757276 607899760 /nfs/dbraw/zinc/89/97/60/607899760.db2.gz VNQDHXZZEROXBZ-QMMMGPOBSA-N -1 1 289.389 3.177 20 0 CGADMM CCCCCSc1snc(Cl)c1-c1nnn[n-]1 ZINC000825275878 608412840 /nfs/dbraw/zinc/41/28/40/608412840.db2.gz FVRBNRIJDUMQNJ-UHFFFAOYSA-N -1 1 289.817 3.259 20 0 CGADMM CCCCCSc1snc(Cl)c1-c1nn[n-]n1 ZINC000825275878 608412841 /nfs/dbraw/zinc/41/28/41/608412841.db2.gz FVRBNRIJDUMQNJ-UHFFFAOYSA-N -1 1 289.817 3.259 20 0 CGADMM C[C@@H](Cc1ccsc1)NC(=O)c1c([O-])cccc1Cl ZINC000049093898 618058191 /nfs/dbraw/zinc/05/81/91/618058191.db2.gz XTGDVCDGVYXKON-VIFPVBQESA-N -1 1 295.791 3.468 20 0 CGADMM CC[C@]1(C(=O)[O-])CCCN(c2ccnc(C)c2Cl)C1 ZINC000900376384 620783943 /nfs/dbraw/zinc/78/39/43/620783943.db2.gz RHOTXERVSWRYOA-AWEZNQCLSA-N -1 1 282.771 3.125 20 0 CGADMM CCc1ccc([C@H](C)C(=O)[N-]OCCC(F)(F)F)cc1 ZINC000162707243 619133876 /nfs/dbraw/zinc/13/38/76/619133876.db2.gz MSCYMCLSASZSDE-JTQLQIEISA-N -1 1 289.297 3.353 20 0 CGADMM Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])c(F)c1 ZINC000194584626 619141304 /nfs/dbraw/zinc/14/13/04/619141304.db2.gz XPDRVBHTMGVQMZ-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM O=C(NC1CCCCCC1)c1c([O-])cccc1Cl ZINC000049080408 619681727 /nfs/dbraw/zinc/68/17/27/619681727.db2.gz JHHZLCYAHKCBDW-UHFFFAOYSA-N -1 1 267.756 3.498 20 0 CGADMM O=c1nc(NCCC2(c3ccccc3)CC2)cc(Cl)[n-]1 ZINC000895436967 619828634 /nfs/dbraw/zinc/82/86/34/619828634.db2.gz GUBCKHBXUCZWPW-UHFFFAOYSA-N -1 1 289.766 3.369 20 0 CGADMM CCN(C(=O)c1ccc2ccc(O)cc2c1[O-])C(C)C ZINC000895809190 619887388 /nfs/dbraw/zinc/88/73/88/619887388.db2.gz HTWCKZBWKNZQDX-UHFFFAOYSA-N -1 1 273.332 3.122 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCCCCCCC1 ZINC000322082278 620385836 /nfs/dbraw/zinc/38/58/36/620385836.db2.gz PFDJYJCTSJMBBC-UHFFFAOYSA-N -1 1 265.328 3.328 20 0 CGADMM CCCCc1nc(C)c(CC(=O)[N-]OC2CCCC2)s1 ZINC000901330543 620855968 /nfs/dbraw/zinc/85/59/68/620855968.db2.gz UHWXCVROGCNIEH-UHFFFAOYSA-N -1 1 296.436 3.327 20 0 CGADMM CCc1nc(S[C@@H](C)c2snnc2C)[n-]c(=O)c1C ZINC000901565389 620931336 /nfs/dbraw/zinc/93/13/36/620931336.db2.gz XWXRTSITQDJQGL-QMMMGPOBSA-N -1 1 296.421 3.066 20 0 CGADMM CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H]1CC1(Cl)Cl ZINC000901590405 620938405 /nfs/dbraw/zinc/93/84/05/620938405.db2.gz JHSTUISMPAOYCE-NSHDSACASA-N -1 1 288.174 3.010 20 0 CGADMM CSc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000901590280 620938642 /nfs/dbraw/zinc/93/86/42/620938642.db2.gz GBPSTWAAKKHRRN-UHFFFAOYSA-N -1 1 291.372 3.332 20 0 CGADMM CC(C)CN(CC(=O)[O-])Cc1ccc(-c2ccccc2)o1 ZINC000901589753 620939094 /nfs/dbraw/zinc/93/90/94/620939094.db2.gz FQCQKHNVJIEWRH-UHFFFAOYSA-N -1 1 287.359 3.489 20 0 CGADMM Cc1cnc(SC[C@@H]2CCCC3(CCC3)O2)[n-]c1=O ZINC000901571293 620942194 /nfs/dbraw/zinc/94/21/94/620942194.db2.gz UFLZLQTZKFCIGD-NSHDSACASA-N -1 1 280.393 3.075 20 0 CGADMM CSc1ccc(CNCc2ccc(C(=O)[O-])o2)s1 ZINC000901659678 620969824 /nfs/dbraw/zinc/96/98/24/620969824.db2.gz DLDJFVANPVWEFZ-UHFFFAOYSA-N -1 1 283.374 3.051 20 0 CGADMM CCc1oc(CNCc2ccccc2C)cc1C(=O)[O-] ZINC000902071890 621125441 /nfs/dbraw/zinc/12/54/41/621125441.db2.gz KDUMZFFKJLYOQE-UHFFFAOYSA-N -1 1 273.332 3.138 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CNCc2cc(C(=O)[O-])cs2)o1 ZINC000902108029 621138875 /nfs/dbraw/zinc/13/88/75/621138875.db2.gz IVVLRFPHFLZYSW-NOZJJQNGSA-N -1 1 291.372 3.453 20 0 CGADMM CC1(C)C[C@]1(NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000902330024 621265889 /nfs/dbraw/zinc/26/58/89/621265889.db2.gz ONWKJZQTBAOIIK-KRWDZBQOSA-N -1 1 285.343 3.393 20 0 CGADMM CC(C)(C)C(F)(F)CN[C@@H]1CC[C@H](C(F)(F)C(=O)[O-])C1 ZINC000902469981 621340436 /nfs/dbraw/zinc/34/04/36/621340436.db2.gz DIHLWERBSQMGAH-DTWKUNHWSA-N -1 1 299.308 3.146 20 0 CGADMM Cc1cc([C@@H](C)[N@H+]2CCC[C@H](CF)C2)oc1C(=O)[O-] ZINC000903608568 621771231 /nfs/dbraw/zinc/77/12/31/621771231.db2.gz XAWWYEXSURKKDB-GHMZBOCLSA-N -1 1 269.316 3.029 20 0 CGADMM CCN(Cc1ccoc1)[C@H](CCc1ccccc1)C(=O)[O-] ZINC000903889017 621823117 /nfs/dbraw/zinc/82/31/17/621823117.db2.gz CHXULSBSNIXHAB-MRXNPFEDSA-N -1 1 287.359 3.188 20 0 CGADMM O=C([O-])c1cncc(CN2CCC[C@@H]2c2ccsc2)c1 ZINC000903887219 621827454 /nfs/dbraw/zinc/82/74/54/621827454.db2.gz MYWOEQSNRMGMNV-CQSZACIVSA-N -1 1 288.372 3.178 20 0 CGADMM CCc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)o1 ZINC000904042107 621858659 /nfs/dbraw/zinc/85/86/59/621858659.db2.gz AUJHIKMVHPAZEP-INIZCTEOSA-N -1 1 287.359 3.456 20 0 CGADMM COc1cnc(C=Cc2cccc(C(C)C)c2)[n-]c1=O ZINC000905076120 622036901 /nfs/dbraw/zinc/03/69/01/622036901.db2.gz ALDOZIIPFHWXHM-BQYQJAHWSA-N -1 1 270.332 3.485 20 0 CGADMM COc1cnc(C=Cc2c(C)cc(C)cc2C)[n-]c1=O ZINC000905076202 622036956 /nfs/dbraw/zinc/03/69/56/622036956.db2.gz CECFXOJNBKNNJZ-WAYWQWQTSA-N -1 1 270.332 3.286 20 0 CGADMM CCCOc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1 ZINC000905076677 622037706 /nfs/dbraw/zinc/03/77/06/622037706.db2.gz KELAGQMQARRNPE-TWGQIWQCSA-N -1 1 286.331 3.150 20 0 CGADMM CCC/C(C)=C/C(=O)Nc1cc([O-])c(F)cc1F ZINC000909977099 622440393 /nfs/dbraw/zinc/44/03/93/622440393.db2.gz FESLBPGRAJQRAV-VMPITWQZSA-N -1 1 255.264 3.355 20 0 CGADMM C[C@@]1(C(=O)Nc2cc([O-])c(F)cc2F)CC=CCC1 ZINC000909987892 622444751 /nfs/dbraw/zinc/44/47/51/622444751.db2.gz MYKKZGJVWIHWOF-CQSZACIVSA-N -1 1 267.275 3.355 20 0 CGADMM C[C@H](C(=O)Nc1cc([O-])c(F)cc1F)C1CCC1 ZINC000909987680 622445227 /nfs/dbraw/zinc/44/52/27/622445227.db2.gz BSOGOJCECCALRA-ZETCQYMHSA-N -1 1 255.264 3.045 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1C[C@H]1C1CCCC1 ZINC000909988231 622445853 /nfs/dbraw/zinc/44/58/53/622445853.db2.gz AOJIPCFAAJUEIK-VHSXEESVSA-N -1 1 281.302 3.435 20 0 CGADMM CCOc1ccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000226600537 622984333 /nfs/dbraw/zinc/98/43/33/622984333.db2.gz IOPTXEAFNCQAEA-MRVPVSSYSA-N -1 1 293.260 3.163 20 0 CGADMM Cc1ccc([C@@H](C)NCc2cc(C(=O)[O-])co2)cc1 ZINC000228167013 623045504 /nfs/dbraw/zinc/04/55/04/623045504.db2.gz OGHLCXOZLVRMCT-LLVKDONJSA-N -1 1 259.305 3.137 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(Cl)cc2C)c1=O ZINC000917345746 624260961 /nfs/dbraw/zinc/26/09/61/624260961.db2.gz ILROCSORFPOYAO-LLVKDONJSA-N -1 1 250.729 3.397 20 0 CGADMM Cc1c(=O)[n-]c(S[C@@H](C)[C@@H](C)O)nc1-c1ccccc1 ZINC000917468123 624274543 /nfs/dbraw/zinc/27/45/43/624274543.db2.gz JCYKUWGPLWYRKM-MNOVXSKESA-N -1 1 290.388 3.019 20 0 CGADMM Cc1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)c(Cl)n1 ZINC000917511783 624277750 /nfs/dbraw/zinc/27/77/50/624277750.db2.gz JKRVLKOTJMFJIE-UHFFFAOYSA-N -1 1 289.697 3.498 20 0 CGADMM Cc1cnc(SC[C@@H]2C[C@@H]3C=C[C@H]2CC3)[n-]c1=O ZINC000917777631 624311114 /nfs/dbraw/zinc/31/11/14/624311114.db2.gz KEAAVRNEHQWUBU-WOPDTQHZSA-N -1 1 262.378 3.185 20 0 CGADMM CC1(C)CN(C(=O)c2c([O-])cccc2Cl)CCS1 ZINC000751416529 626389726 /nfs/dbraw/zinc/38/97/26/626389726.db2.gz JKRDIZWAWDNTAM-UHFFFAOYSA-N -1 1 285.796 3.013 20 0 CGADMM Cc1cc(CNCc2ccc(C(=O)[O-])o2)ccc1Cl ZINC000756284748 626689107 /nfs/dbraw/zinc/68/91/07/626689107.db2.gz BZAQVIFEZZQUDK-UHFFFAOYSA-N -1 1 279.723 3.229 20 0 CGADMM Cc1cc(Cl)ccc1CNCc1ccc(C(=O)[O-])o1 ZINC000756285841 626689244 /nfs/dbraw/zinc/68/92/44/626689244.db2.gz QGKQOTZISWVHHY-UHFFFAOYSA-N -1 1 279.723 3.229 20 0 CGADMM O=C(N[C@@H]1CC12CCCC2)c1c([O-])cccc1Cl ZINC000760584456 626979533 /nfs/dbraw/zinc/97/95/33/626979533.db2.gz RBJWMQCEZOYLOJ-LLVKDONJSA-N -1 1 265.740 3.108 20 0 CGADMM CCCC1(C(=O)OCCc2cc(C(C)=O)ccc2[O-])CC1 ZINC000761454864 627042840 /nfs/dbraw/zinc/04/28/40/627042840.db2.gz PWIJXYGVBBMVSS-UHFFFAOYSA-N -1 1 290.359 3.261 20 0 CGADMM C[C@H]1CCCc2ccccc2[C@H]1[N-]C(=O)C(F)(F)F ZINC000765743647 627268476 /nfs/dbraw/zinc/26/84/76/627268476.db2.gz HNPGQHNPJCVRKS-CABZTGNLSA-N -1 1 271.282 3.379 20 0 CGADMM C[C@@H]1CCCc2ccccc2[C@@H]1[N-]C(=O)C(F)(F)F ZINC000765743645 627268704 /nfs/dbraw/zinc/26/87/04/627268704.db2.gz HNPGQHNPJCVRKS-BXKDBHETSA-N -1 1 271.282 3.379 20 0 CGADMM CCCC[C@H](CC)CC(=O)[N-]OCC(F)(F)F ZINC000766769752 627359150 /nfs/dbraw/zinc/35/91/50/627359150.db2.gz YSMFLAUAVPMDQN-VIFPVBQESA-N -1 1 255.280 3.203 20 0 CGADMM Cc1c(NC(=O)c2ccc([O-])c(F)c2)cccc1N(C)C ZINC000768389387 627478119 /nfs/dbraw/zinc/47/81/19/627478119.db2.gz OLMBKAQLOFTQGF-UHFFFAOYSA-N -1 1 288.322 3.158 20 0 CGADMM CC1(C)CC[C@@H](NC(=O)c2c([O-])cccc2Cl)C1 ZINC000768890292 627506392 /nfs/dbraw/zinc/50/63/92/627506392.db2.gz QUUJJZLASNRONK-SECBINFHSA-N -1 1 267.756 3.354 20 0 CGADMM CCCN(CC1CC1)C(=O)c1c([O-])cccc1Cl ZINC000769603016 627568929 /nfs/dbraw/zinc/56/89/29/627568929.db2.gz UZWBFCSGOOLYCR-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM CC1(NC(=O)c2c([O-])cccc2Cl)CCCC1 ZINC000769724783 627574783 /nfs/dbraw/zinc/57/47/83/627574783.db2.gz ADZAWQWFASMWRH-UHFFFAOYSA-N -1 1 253.729 3.108 20 0 CGADMM CCCN(CC(F)F)C(=O)c1c([O-])cccc1Cl ZINC000769743879 627575419 /nfs/dbraw/zinc/57/54/19/627575419.db2.gz HDWJWARCTPQQIF-UHFFFAOYSA-N -1 1 277.698 3.163 20 0 CGADMM COc1ccc(/C=C/C(=O)Nc2c([O-])cccc2F)cc1 ZINC000770864578 627648670 /nfs/dbraw/zinc/64/86/70/627648670.db2.gz YUPONCGANWQOFM-JXMROGBWSA-N -1 1 287.290 3.192 20 0 CGADMM Cc1oc(C(C)C)nc1C(=O)[N-]c1nc(C(C)C)ns1 ZINC000874693895 634593056 /nfs/dbraw/zinc/59/30/56/634593056.db2.gz VJXGSSDIZGZJCH-UHFFFAOYSA-N -1 1 294.380 3.334 20 0 CGADMM O=C(CC1CCCC1)Nc1nc(Br)ccc1[O-] ZINC000771575154 627720384 /nfs/dbraw/zinc/72/03/84/627720384.db2.gz XVHIPONXPUIADS-UHFFFAOYSA-N -1 1 299.168 3.069 20 0 CGADMM Cc1ccc(SC[C@H](C)[N-]C(=O)C(F)(F)F)cc1 ZINC000771571654 627720937 /nfs/dbraw/zinc/72/09/37/627720937.db2.gz MQAOFHKEBPAIMO-VIFPVBQESA-N -1 1 277.311 3.154 20 0 CGADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc[nH]1 ZINC000776486684 628213500 /nfs/dbraw/zinc/21/35/00/628213500.db2.gz AIPQPIYIQOQUIS-QMMMGPOBSA-N -1 1 298.264 3.230 20 0 CGADMM C[C@H](OC(=O)c1cn[n-]n1)c1ccc(C(C)(C)C)cc1 ZINC000805603578 628336987 /nfs/dbraw/zinc/33/69/87/628336987.db2.gz LLRCWBBTKPVLOQ-JTQLQIEISA-N -1 1 273.336 3.020 20 0 CGADMM C[C@@H](OC(=O)c1cn[n-]n1)c1ccc(Cl)cc1Cl ZINC000805604734 628341275 /nfs/dbraw/zinc/34/12/75/628341275.db2.gz QBGQVHWOSGFRRP-ZCFIWIBFSA-N -1 1 286.118 3.030 20 0 CGADMM O=C(OC1CCCC1)c1ccc(Br)c([O-])c1 ZINC000778827552 628374191 /nfs/dbraw/zinc/37/41/91/628374191.db2.gz RTJWUULIINANLP-UHFFFAOYSA-N -1 1 285.137 3.254 20 0 CGADMM CC1(C)CC(CNC(=O)c2c([O-])cccc2Cl)C1 ZINC000781838950 628598039 /nfs/dbraw/zinc/59/80/39/628598039.db2.gz BQMVUDWQZWIFTH-UHFFFAOYSA-N -1 1 267.756 3.212 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccc(Cl)cc2C)n1 ZINC000788506170 629060534 /nfs/dbraw/zinc/06/05/34/629060534.db2.gz QUVDYNZOFCAMMZ-UHFFFAOYSA-N -1 1 296.779 3.450 20 0 CGADMM CCN(C(=O)c1ccc(O)cc1[O-])c1ccc2[nH]ccc2c1 ZINC000788546357 629064129 /nfs/dbraw/zinc/06/41/29/629064129.db2.gz CNRJSXPBRWLZKQ-UHFFFAOYSA-N -1 1 296.326 3.246 20 0 CGADMM CCC(C)(CC)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790050465 629180502 /nfs/dbraw/zinc/18/05/02/629180502.db2.gz ATOVPDHDZNYFGQ-UHFFFAOYSA-N -1 1 256.733 3.205 20 0 CGADMM Cc1cccc(CCC(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000790056514 629181136 /nfs/dbraw/zinc/18/11/36/629181136.db2.gz NORMREJNUIRCMR-UHFFFAOYSA-N -1 1 290.750 3.320 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC2(CCC2)[C@H]1C1CC1 ZINC000793431698 629463571 /nfs/dbraw/zinc/46/35/71/629463571.db2.gz ODSVVBYVBLXBGL-CQSZACIVSA-N -1 1 291.778 3.450 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC(C2CCCC2)C1 ZINC000794194934 629521167 /nfs/dbraw/zinc/52/11/67/629521167.db2.gz LTTGTKHBBJIOAK-UHFFFAOYSA-N -1 1 279.767 3.308 20 0 CGADMM CCCCCCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000864689184 629891893 /nfs/dbraw/zinc/89/18/93/629891893.db2.gz CRWKOHITVJITQX-UHFFFAOYSA-N -1 1 269.772 3.285 20 0 CGADMM Cc1nc(SCCCCCCO)[n-]c(=O)c1C1CC1 ZINC000865373243 630081371 /nfs/dbraw/zinc/08/13/71/630081371.db2.gz LSZBYSOHPZWICP-UHFFFAOYSA-N -1 1 282.409 3.013 20 0 CGADMM O=C(OC[C@H]1Cc2ccccc21)c1c([O-])cc(F)cc1F ZINC000803322291 630464013 /nfs/dbraw/zinc/46/40/13/630464013.db2.gz ZYFMDNPHIBILAL-SNVBAGLBSA-N -1 1 290.265 3.167 20 0 CGADMM CCCN(C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000876393553 634826389 /nfs/dbraw/zinc/82/63/89/634826389.db2.gz JMGJFQKNBRXIJX-UHFFFAOYSA-N -1 1 282.771 3.130 20 0 CGADMM CCN(CC1CCC1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876396459 634826585 /nfs/dbraw/zinc/82/65/85/634826585.db2.gz GIXLUYWMXLSMSA-UHFFFAOYSA-N -1 1 296.798 3.377 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1coc(C(C)(C)C)n1 ZINC000821312902 632751418 /nfs/dbraw/zinc/75/14/18/632751418.db2.gz QKOUSYZTABKMHQ-UHFFFAOYSA-N -1 1 277.324 3.083 20 0 CGADMM O=C(C[C@H]1CCCC1(F)F)Nc1cc(F)cc(F)c1[O-] ZINC000822978089 633045405 /nfs/dbraw/zinc/04/54/05/633045405.db2.gz ZUEDXFUFWCCFAW-SSDOTTSWSA-N -1 1 291.244 3.434 20 0 CGADMM CCOCCCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000868787606 633363690 /nfs/dbraw/zinc/36/36/90/633363690.db2.gz DEHPUJUCDRKCBH-UHFFFAOYSA-N -1 1 287.306 3.206 20 0 CGADMM CC(C)(C)Oc1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000888557846 633724648 /nfs/dbraw/zinc/72/46/48/633724648.db2.gz DBMKQQXCVGCHIS-UHFFFAOYSA-N -1 1 286.331 3.217 20 0 CGADMM CC(C)c1c(Cc2ccccc2)[n-]n(C2CCC2)c1=O ZINC000871942250 633921836 /nfs/dbraw/zinc/92/18/36/633921836.db2.gz FKHGQGHUQXKMCM-INIZCTEOSA-N -1 1 270.376 3.252 20 0 CGADMM CCc1[n-]n(-c2ccc(C(F)(F)F)cc2)c(=O)c1F ZINC000871947953 633923339 /nfs/dbraw/zinc/92/33/39/633923339.db2.gz HIKGBKLLVYPWBL-JTQLQIEISA-N -1 1 274.217 3.156 20 0 CGADMM Cc1[n-]n(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)c1F ZINC000871957326 633926594 /nfs/dbraw/zinc/92/65/94/633926594.db2.gz RJMYJPKBTPUHOF-VIFPVBQESA-N -1 1 294.635 3.419 20 0 CGADMM CC1(C)CCc2c([n-]n(C[C@H]3CCCC3(F)F)c2=O)C1 ZINC000871962300 633928986 /nfs/dbraw/zinc/92/89/86/633928986.db2.gz AEISRTXEKGIWIV-MNOVXSKESA-N -1 1 284.350 3.446 20 0 CGADMM CC(F)(F)CCCNC(=O)c1c([O-])cccc1Cl ZINC000833069909 634108703 /nfs/dbraw/zinc/10/87/03/634108703.db2.gz FJZPDHBLFKHCPV-UHFFFAOYSA-N -1 1 277.698 3.211 20 0 CGADMM C[C@H]1CCC[C@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872882891 634217933 /nfs/dbraw/zinc/21/79/33/634217933.db2.gz KDHBWNZAZRZNIA-JOYOIKCWSA-N -1 1 282.771 3.033 20 0 CGADMM CCOC[C@@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000837985915 635015576 /nfs/dbraw/zinc/01/55/76/635015576.db2.gz SPPDQACKRYRIIR-NSHDSACASA-N -1 1 297.782 3.077 20 0 CGADMM Cc1ccc([S@](=O)C=C([O-])c2cc(C)n(C)c2C)s1 ZINC000840880930 635072016 /nfs/dbraw/zinc/07/20/16/635072016.db2.gz XOOSDLAXLXAOGD-LJQANCHMSA-N -1 1 295.429 3.002 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cnc(CC2CC2)s1 ZINC000879183496 635721659 /nfs/dbraw/zinc/72/16/59/635721659.db2.gz OQHHWFUNWLBYKD-UHFFFAOYSA-N -1 1 292.335 3.193 20 0 CGADMM CC(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)=C1CCC1 ZINC000843765087 635777685 /nfs/dbraw/zinc/77/76/85/635777685.db2.gz DYYPRHXLRWQAGM-UHFFFAOYSA-N -1 1 283.331 3.221 20 0 CGADMM CCCO[N-]C(=O)[C@@H](C)c1cccc(Br)c1 ZINC000844087547 635818483 /nfs/dbraw/zinc/81/84/83/635818483.db2.gz AGVUZJBKULQDFX-VIFPVBQESA-N -1 1 286.169 3.010 20 0 CGADMM C[C@H](C(=O)[N-]OC/C=C/Cl)c1ccc(Cl)cc1 ZINC000846192802 636156826 /nfs/dbraw/zinc/15/68/26/636156826.db2.gz JUHSPTWNVXDYEX-NOKZVFQSSA-N -1 1 274.147 3.244 20 0 CGADMM C=C/C=C\CCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000882096035 636254034 /nfs/dbraw/zinc/25/40/34/636254034.db2.gz GXLKJYASYKWRGT-ARJAWSKDSA-N -1 1 292.404 3.288 20 0 CGADMM C=C/C=C/CCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000882170314 636276627 /nfs/dbraw/zinc/27/66/27/636276627.db2.gz OXHFTNJPPSNCHI-ONEGZZNKSA-N -1 1 258.293 3.344 20 0 CGADMM O=C(C[C@@H]1OCc2ccccc21)[N-]OC1CCCCC1 ZINC000847771936 636443660 /nfs/dbraw/zinc/44/36/60/636443660.db2.gz KQKGSDMOQURZHL-HNNXBMFYSA-N -1 1 275.348 3.029 20 0 CGADMM COC(=O)c1c[n-]c(SCCC(C)(C)C2CC2)n1 ZINC000848434109 636576469 /nfs/dbraw/zinc/57/64/69/636576469.db2.gz GQDGSPXGOSZCNZ-UHFFFAOYSA-N -1 1 268.382 3.115 20 0 CGADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 ZINC000086809486 636785538 /nfs/dbraw/zinc/78/55/38/636785538.db2.gz XXOZIJKNYKYIDR-NSHDSACASA-N -1 1 283.318 3.042 20 0 CGADMM Cc1cnc(SCC[C@H]2CC2(Cl)Cl)[n-]c1=O ZINC000849903319 636905067 /nfs/dbraw/zinc/90/50/67/636905067.db2.gz OTFWVOWJCUTHGX-ZETCQYMHSA-N -1 1 279.192 3.167 20 0 CGADMM O=C(Nc1ccc2ccccc2c1)c1cncc([O-])c1 ZINC000109041164 636929879 /nfs/dbraw/zinc/92/98/79/636929879.db2.gz JMBWMEXOASQPMP-UHFFFAOYSA-N -1 1 264.284 3.193 20 0 CGADMM O=C(Nc1ccc(-c2ccccc2)cn1)c1cncc([O-])c1 ZINC000109955150 637370160 /nfs/dbraw/zinc/37/01/60/637370160.db2.gz CIBKWKFWFLNVRS-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM Cc1ccc(CN2CCC[C@@H](CCC(=O)[O-])C2)c(Cl)n1 ZINC000852731261 637702215 /nfs/dbraw/zinc/70/22/15/637702215.db2.gz IRFGYCBQPWAOPB-LBPRGKRZSA-N -1 1 296.798 3.120 20 0 CGADMM O=c1c2c([n-]n1C1CCSCC1)CCCCCC2 ZINC000887292836 637791313 /nfs/dbraw/zinc/79/13/13/637791313.db2.gz HVBXPDFXIPHGIO-LBPRGKRZSA-N -1 1 266.410 3.051 20 0 CGADMM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1c([O-])cccc1Cl ZINC000855773541 638245804 /nfs/dbraw/zinc/24/58/04/638245804.db2.gz CFFBHALIIDYXKH-GARJFASQSA-N -1 1 279.767 3.212 20 0 CGADMM C[C@H](C(=O)[N-]OCC1CCC1)c1ccc(Cl)cc1 ZINC000856342684 638345013 /nfs/dbraw/zinc/34/50/13/638345013.db2.gz XCBHBFDACNECEQ-JTQLQIEISA-N -1 1 267.756 3.291 20 0 CGADMM O=C(NOCC1CCC1)c1ccc2ccccc2c1[O-] ZINC000856346372 638347241 /nfs/dbraw/zinc/34/72/41/638347241.db2.gz XNJICSFOZPHSCN-UHFFFAOYSA-N -1 1 271.316 3.007 20 0 CGADMM C[C@@H](C(=O)[N-]OCC1CCC1)c1cccc(Cl)c1 ZINC000856349228 638350455 /nfs/dbraw/zinc/35/04/55/638350455.db2.gz KPNJVWWKMCURQR-SNVBAGLBSA-N -1 1 267.756 3.291 20 0 CGADMM CN(c1cc(Cl)[n-]c(=O)n1)C1CCC(C)(C)CC1 ZINC000858442694 638719489 /nfs/dbraw/zinc/71/94/89/638719489.db2.gz YPKVBHBGZPHHBV-UHFFFAOYSA-N -1 1 269.776 3.241 20 0 CGADMM CCOCCC1(CNc2cc(Cl)[n-]c(=O)n2)CCCC1 ZINC000858445942 638722123 /nfs/dbraw/zinc/72/21/23/638722123.db2.gz RQKVDBKVXIQHQK-UHFFFAOYSA-N -1 1 299.802 3.235 20 0 CGADMM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000928383608 638879147 /nfs/dbraw/zinc/87/91/47/638879147.db2.gz IQLOZTSHXIVCLM-HIFRSBDPSA-N -1 1 296.370 3.196 20 0 CGADMM O=C(C[C@H]1CCCC1(F)F)Nc1nc(Cl)ccc1[O-] ZINC000935598545 639832964 /nfs/dbraw/zinc/83/29/64/639832964.db2.gz QOUYOUZMUUYXHQ-SSDOTTSWSA-N -1 1 290.697 3.205 20 0 CGADMM C[C@H](CCc1ccco1)NC(=O)c1c([O-])cccc1Cl ZINC000049085313 640082896 /nfs/dbraw/zinc/08/28/96/640082896.db2.gz SBACLWFWWYLQMJ-SNVBAGLBSA-N -1 1 293.750 3.390 20 0 CGADMM CC(C)c1nnc(NCc2c([O-])ccc(Cl)c2F)o1 ZINC000191526714 640316695 /nfs/dbraw/zinc/31/66/95/640316695.db2.gz CBHJBLUYAWJXAW-UHFFFAOYSA-N -1 1 285.706 3.303 20 0 CGADMM [O-]c1c(F)cccc1-c1nc2c([nH]1)c(F)cc(F)c2F ZINC001250683945 805754846 /nfs/dbraw/zinc/75/48/46/805754846.db2.gz SXFACBMYPADIPP-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM CCOc1cccc2[nH]c(-c3c([O-])cccc3F)nc21 ZINC001250674013 805753561 /nfs/dbraw/zinc/75/35/61/805753561.db2.gz ISVHCUCJJRSODW-UHFFFAOYSA-N -1 1 272.279 3.473 20 0 CGADMM Cc1c2[nH]c(-c3ccc(C(=O)[O-])o3)nc2ccc1Cl ZINC001250923522 805800449 /nfs/dbraw/zinc/80/04/49/805800449.db2.gz VGRYNCKLQCKQHP-UHFFFAOYSA-N -1 1 276.679 3.483 20 0 CGADMM CCn1c2ccccc2nc1-c1cc(Cl)ncc1[O-] ZINC001251252531 805873008 /nfs/dbraw/zinc/87/30/08/805873008.db2.gz YRVWQNNCCFLHAC-UHFFFAOYSA-N -1 1 273.723 3.477 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1ccc2cc[nH]c2c1 ZINC001157805287 805875137 /nfs/dbraw/zinc/87/51/37/805875137.db2.gz DOERZWVJVFTPFJ-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM C[C@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c(F)c1F ZINC001157811822 805877885 /nfs/dbraw/zinc/87/78/85/805877885.db2.gz UGEFIWHLSFDVBL-SNVBAGLBSA-N -1 1 291.297 3.488 20 0 CGADMM COc1cc2nc(-c3ccc(F)c([O-])c3)[nH]c2cc1OC ZINC001251477215 805899585 /nfs/dbraw/zinc/89/95/85/805899585.db2.gz KXWSZSYWBNVEOD-UHFFFAOYSA-N -1 1 288.278 3.092 20 0 CGADMM COc1ccc2[nH]c(-c3ccc(F)c([O-])c3)nc2c1 ZINC001251477160 805900363 /nfs/dbraw/zinc/90/03/63/805900363.db2.gz HXHLSQCYWGMMRX-UHFFFAOYSA-N -1 1 258.252 3.083 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)c1ccccc1 ZINC001158824720 806008009 /nfs/dbraw/zinc/00/80/09/806008009.db2.gz BYRQIEAEPNSYHO-UHFFFAOYSA-N -1 1 292.132 3.407 20 0 CGADMM COc1cccc([O-])c1-c1nnc(-c2ccc(C)cc2)o1 ZINC001252608195 806086052 /nfs/dbraw/zinc/08/60/52/806086052.db2.gz GZUXPWOWWPUKFL-UHFFFAOYSA-N -1 1 282.299 3.426 20 0 CGADMM Cc1ccc2c(c1)C=C(C(=O)Nc1ccc(F)cc1[O-])CO2 ZINC001161046730 806342175 /nfs/dbraw/zinc/34/21/75/806342175.db2.gz RWSAPSJVUHACOX-UHFFFAOYSA-N -1 1 299.301 3.254 20 0 CGADMM Cc1n[n-]c(=NCc2c(C)cc(Cl)cc2C)n1C1CC1 ZINC000340712549 799286496 /nfs/dbraw/zinc/28/64/96/799286496.db2.gz PGGFMCPPUPDRNM-UHFFFAOYSA-N -1 1 290.798 3.226 20 0 CGADMM COc1cccc([O-])c1-c1nc(-c2cccc(C)c2)no1 ZINC000405265741 799582841 /nfs/dbraw/zinc/58/28/41/799582841.db2.gz REZDQWACMFYKTE-UHFFFAOYSA-N -1 1 282.299 3.426 20 0 CGADMM CCCn1cc(NCc2cccc([O-])c2Cl)cn1 ZINC000722375500 800319039 /nfs/dbraw/zinc/31/90/39/800319039.db2.gz RWAXFGFGDQJNMS-UHFFFAOYSA-N -1 1 265.744 3.264 20 0 CGADMM C[C@H]1C[C@H]1c1nnc(-c2ccc3cccnc3c2[O-])o1 ZINC001256627772 806932091 /nfs/dbraw/zinc/93/20/91/806932091.db2.gz YSZJWTXCHWKFOS-GZMMTYOYSA-N -1 1 267.288 3.114 20 0 CGADMM C[C@@H]1C[C@@H]1c1nnc(-c2c(O)cc3ccccc3c2[O-])o1 ZINC001256632432 806933248 /nfs/dbraw/zinc/93/32/48/806933248.db2.gz FZQMVXDNDMVTSW-KCJUWKMLSA-N -1 1 282.299 3.424 20 0 CGADMM Cc1ccc2ccc(-c3nnc([C@H]4C[C@H]4C)o3)c([O-])c2n1 ZINC001256649217 806940312 /nfs/dbraw/zinc/94/03/12/806940312.db2.gz WHRJCLCGYNOXIV-PELKAZGASA-N -1 1 281.315 3.422 20 0 CGADMM C[C@H]1C[C@H]1c1nnc(-c2ccc([O-])cc2Br)o1 ZINC001256758686 806973296 /nfs/dbraw/zinc/97/32/96/806973296.db2.gz DUPUSWXAXNROMW-IMTBSYHQSA-N -1 1 295.136 3.328 20 0 CGADMM O=c1nc(NC[C@@H]2C[C@@H]2C2CCCC2)cc(Cl)[n-]1 ZINC001120916360 802793869 /nfs/dbraw/zinc/79/38/69/802793869.db2.gz VGGNJPXFKFGNRA-VHSXEESVSA-N -1 1 267.760 3.074 20 0 CGADMM COC(=O)[C@@H](C)c1ccc(-c2c([O-])cccc2Cl)nc1 ZINC001244033121 803152076 /nfs/dbraw/zinc/15/20/76/803152076.db2.gz NXTPSMBCQQQPIU-VIFPVBQESA-N -1 1 291.734 3.384 20 0 CGADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccsn1 ZINC001127781106 803158905 /nfs/dbraw/zinc/15/89/05/803158905.db2.gz VYDXEPARKPVVLO-UHFFFAOYSA-N -1 1 285.328 3.359 20 0 CGADMM [O-]c1c(F)cc(-c2cc3nc[nH]c3cc2F)cc1F ZINC001244095573 803183725 /nfs/dbraw/zinc/18/37/25/803183725.db2.gz ILIIZDQJZZXEFZ-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM Cc1ccc([O-])c(-c2nc(C)cc(NC3CC3)n2)c1 ZINC001244401738 803350325 /nfs/dbraw/zinc/35/03/25/803350325.db2.gz HAIJWCRKBXPCKE-UHFFFAOYSA-N -1 1 255.321 3.040 20 0 CGADMM Cc1ncnc(-c2cc(OC(F)(F)F)ccc2[O-])c1F ZINC001244456421 803378465 /nfs/dbraw/zinc/37/84/65/803378465.db2.gz RMTVLUVXKLNNNJ-UHFFFAOYSA-N -1 1 288.200 3.195 20 0 CGADMM Cc1nc2cncc(-c3cc(F)c([O-])c(Cl)c3)c2[nH]1 ZINC001244503462 803409215 /nfs/dbraw/zinc/40/92/15/803409215.db2.gz CFQYGFRMVBJIAY-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM Cc1nc2c(cncc2-c2cc(F)c([O-])c(Cl)c2)[nH]1 ZINC001244503462 803409221 /nfs/dbraw/zinc/40/92/21/803409221.db2.gz CFQYGFRMVBJIAY-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM CCOc1cnc(-c2cc(C)c([O-])c(Cl)c2)nc1 ZINC001244531330 803421720 /nfs/dbraw/zinc/42/17/20/803421720.db2.gz ICQGHTGVKUFSGY-UHFFFAOYSA-N -1 1 264.712 3.210 20 0 CGADMM Cc1ncc(F)c(-c2cc(C)c([O-])c(Cl)c2)n1 ZINC001244529819 803421887 /nfs/dbraw/zinc/42/18/87/803421887.db2.gz FBPZTZWUEMWLJH-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM COC(=O)c1ccc(-c2c(Cl)ccc([O-])c2F)nc1F ZINC001244537564 803425440 /nfs/dbraw/zinc/42/54/40/803425440.db2.gz AQVKISFCRUEKNO-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncnc3cnc(F)cc32)c1F ZINC001244539341 803426608 /nfs/dbraw/zinc/42/66/08/803426608.db2.gz WYBMIRAWOIBUEU-UHFFFAOYSA-N -1 1 293.660 3.329 20 0 CGADMM Cc1nc2ccc(-c3c(Cl)ccc([O-])c3F)nc2[nH]1 ZINC001244538501 803426913 /nfs/dbraw/zinc/42/69/13/803426913.db2.gz OWEVCASKZJBMME-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM COc1c(C)ncnc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244539197 803427001 /nfs/dbraw/zinc/42/70/01/803427001.db2.gz QLQZKZZMMFZKAW-UHFFFAOYSA-N -1 1 264.712 3.128 20 0 CGADMM CCc1ncc(F)c(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244540818 803428584 /nfs/dbraw/zinc/42/85/84/803428584.db2.gz RTZALLLGKYLGLT-UHFFFAOYSA-N -1 1 270.666 3.343 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cccc3n[nH]nc32)c1F ZINC001244542771 803429483 /nfs/dbraw/zinc/42/94/83/803429483.db2.gz MIIJAAUPCRZRAO-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM CCn1cc(-c2c(F)c([O-])ccc2Cl)ccc1=O ZINC001244543825 803431054 /nfs/dbraw/zinc/43/10/54/803431054.db2.gz YJFLVDHANUVVSY-UHFFFAOYSA-N -1 1 267.687 3.033 20 0 CGADMM Cc1cc(-c2cnc(F)nc2F)cc(Cl)c1[O-] ZINC001244550959 803434141 /nfs/dbraw/zinc/43/41/41/803434141.db2.gz PLYKLFFMXPTYRD-UHFFFAOYSA-N -1 1 256.639 3.089 20 0 CGADMM O=C([O-])c1cc(-c2nccc3c2CCN3)c(F)cc1Cl ZINC001244609488 803463096 /nfs/dbraw/zinc/46/30/96/803463096.db2.gz DYRXBWJEXGYHPJ-UHFFFAOYSA-N -1 1 292.697 3.207 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cncc(F)c3C)cc2[n-]1 ZINC001244835297 803543470 /nfs/dbraw/zinc/54/34/70/803543470.db2.gz QCJJNSCTXPLMOK-UHFFFAOYSA-N -1 1 299.305 3.249 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cncc(F)c3C)ccc2[n-]1 ZINC001244835297 803543473 /nfs/dbraw/zinc/54/34/73/803543473.db2.gz QCJJNSCTXPLMOK-UHFFFAOYSA-N -1 1 299.305 3.249 20 0 CGADMM Nc1ccc(F)c(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001211834978 814947194 /nfs/dbraw/zinc/94/71/94/814947194.db2.gz NKNNUUDDBBVNTB-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM Cc1cc(-c2ccc(CN(C)C)cn2)cc(C)c1C(=O)[O-] ZINC001244944810 803585953 /nfs/dbraw/zinc/58/59/53/803585953.db2.gz MDVHXEGOYFGILQ-UHFFFAOYSA-N -1 1 284.359 3.125 20 0 CGADMM O=C(Nc1nc2ccccc2s1)c1ccc(F)c([O-])c1 ZINC001135681275 803610301 /nfs/dbraw/zinc/61/03/01/803610301.db2.gz RCXPEOPDXQRZKZ-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM COC(=O)c1cc(-c2cc(Cl)ccc2[O-])ncc1F ZINC001245048490 803621215 /nfs/dbraw/zinc/62/12/15/803621215.db2.gz BXLNUWGBRWUQTJ-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM CNC(=S)Nc1ccc(-c2cc(Cl)ccc2[O-])nc1 ZINC001245049003 803621496 /nfs/dbraw/zinc/62/14/96/803621496.db2.gz DQEKOQJVNPKUFD-UHFFFAOYSA-N -1 1 293.779 3.024 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1cc(N2CCCC2)ncn1 ZINC001245049578 803622106 /nfs/dbraw/zinc/62/21/06/803622106.db2.gz YNOGRINUMKIUTJ-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM C[C@@H](Cc1ccccc1F)NC(=O)c1ccc(F)c([O-])c1 ZINC001136365625 803641206 /nfs/dbraw/zinc/64/12/06/803641206.db2.gz DLVRNGYPFXNAGM-JTQLQIEISA-N -1 1 291.297 3.031 20 0 CGADMM CC[C@@H]1CCCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001136756659 803650750 /nfs/dbraw/zinc/65/07/50/803650750.db2.gz NVVPAXDTGDJQBY-LLVKDONJSA-N -1 1 265.328 3.184 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])cn1)C(C)(C)c1ccccc1 ZINC001136921628 803659982 /nfs/dbraw/zinc/65/99/82/803659982.db2.gz JHFFBHWGPATNIB-MRXNPFEDSA-N -1 1 298.386 3.273 20 0 CGADMM COc1cc2[nH]cnc2cc1-c1cccc(C(=O)[O-])c1C ZINC001245299309 803695001 /nfs/dbraw/zinc/69/50/01/803695001.db2.gz HCZRSYQFTFDHSC-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM Cc1nc2cncc(-c3cc([O-])c(F)c(F)c3F)c2[nH]1 ZINC001245638454 803877430 /nfs/dbraw/zinc/87/74/30/803877430.db2.gz IASXBNSWOYDAJS-UHFFFAOYSA-N -1 1 279.221 3.056 20 0 CGADMM COC(=O)c1ccc(C)nc1-c1c(F)ccc([O-])c1Cl ZINC001245825583 803981431 /nfs/dbraw/zinc/98/14/31/803981431.db2.gz DDOREQJGQUDLGU-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COC(=O)c1cccc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245828392 803983125 /nfs/dbraw/zinc/98/31/25/803983125.db2.gz UDZPLISYINTJSC-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM COC(=O)c1ccnc(-c2c(F)ccc([O-])c2Cl)c1F ZINC001245828128 803983335 /nfs/dbraw/zinc/98/33/35/803983335.db2.gz PETDPUUHUIYXIU-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM [O-]c1ccc(F)c(-c2cc(OCC3CC3)ncn2)c1Cl ZINC001245830791 803984393 /nfs/dbraw/zinc/98/43/93/803984393.db2.gz ZHTOFQCIUFTUDY-UHFFFAOYSA-N -1 1 294.713 3.431 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc3ncoc3c2)c1Cl ZINC001245830959 803984576 /nfs/dbraw/zinc/98/45/76/803984576.db2.gz BBSIHSJWMKRPHC-UHFFFAOYSA-N -1 1 264.643 3.388 20 0 CGADMM COC(=O)c1ccc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245830965 803985359 /nfs/dbraw/zinc/98/53/59/803985359.db2.gz BHWFOBXEIQGAST-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM COc1cnccc1-c1c(F)ccc([O-])c1Cl ZINC001245831698 803986260 /nfs/dbraw/zinc/98/62/60/803986260.db2.gz PLKHXCZCCOCPGN-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM COc1cc(-c2c(F)ccc([O-])c2Cl)c(F)cn1 ZINC001245831131 803986663 /nfs/dbraw/zinc/98/66/63/803986663.db2.gz FKLQSUSFWFWYAC-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM O=C1NCCc2cccc(-c3c(F)ccc([O-])c3Cl)c21 ZINC001245831186 803987254 /nfs/dbraw/zinc/98/72/54/803987254.db2.gz GRNDRDVFPSDGCD-UHFFFAOYSA-N -1 1 291.709 3.138 20 0 CGADMM Cc1cc(=O)n(-c2ccnc3cc(Cl)ccc32)[n-]1 ZINC001245928318 804057182 /nfs/dbraw/zinc/05/71/82/804057182.db2.gz TYZCDORESFBEGA-UHFFFAOYSA-N -1 1 259.696 3.088 20 0 CGADMM Cc1ccc(C(=S)n2[n-]c(C(C)(C)C)cc2=O)cc1 ZINC001245930235 804058730 /nfs/dbraw/zinc/05/87/30/804058730.db2.gz XBSUQPUJZZMCAT-UHFFFAOYSA-N -1 1 274.389 3.418 20 0 CGADMM O=c1cc(CCC2CCCCC2)[n-]n1-c1ccncc1 ZINC001245942149 804074625 /nfs/dbraw/zinc/07/46/25/804074625.db2.gz HURVTIKRSJUNQZ-UHFFFAOYSA-N -1 1 271.364 3.486 20 0 CGADMM CCCCCc1cc(=O)n(-c2ccnc(Cl)c2)[n-]1 ZINC001245944067 804076613 /nfs/dbraw/zinc/07/66/13/804076613.db2.gz MRDOLLXTCLVTJC-UHFFFAOYSA-N -1 1 265.744 3.359 20 0 CGADMM CCN(Cc1cccs1)Cc1[nH]c(C)c(C(=O)[O-])c1C ZINC001140496965 804447340 /nfs/dbraw/zinc/44/73/40/804447340.db2.gz YZODBGSNZFEGIV-UHFFFAOYSA-N -1 1 292.404 3.413 20 0 CGADMM CC1(C2(NC(=O)c3ccc4ccc(O)cc4c3[O-])CC2)CC1 ZINC001140634083 804479789 /nfs/dbraw/zinc/47/97/89/804479789.db2.gz UBKUONOOQZDWBS-UHFFFAOYSA-N -1 1 297.354 3.314 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(C)c(F)c2)c1 ZINC001256947414 807013929 /nfs/dbraw/zinc/01/39/29/807013929.db2.gz YXGGOKRFUCJSQZ-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CCN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(F)cc1 ZINC001140946686 804555794 /nfs/dbraw/zinc/55/57/94/804555794.db2.gz XTUGYRVQGLKHLF-UHFFFAOYSA-N -1 1 277.295 3.139 20 0 CGADMM [O-]c1c(F)cc(CN2CCCC(F)(F)[C@H](F)C2)cc1F ZINC001140987717 804561928 /nfs/dbraw/zinc/56/19/28/804561928.db2.gz AQTHJUTZXPUAKF-LLVKDONJSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1c(F)cc(CN2CCc3cc(F)ccc3C2)cc1F ZINC001140991007 804562921 /nfs/dbraw/zinc/56/29/21/804562921.db2.gz UOZWWHGMDUDDOG-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM O=C(Nc1cnc2ccccc2c1)c1ccc(F)c([O-])c1 ZINC001141256837 804623914 /nfs/dbraw/zinc/62/39/14/804623914.db2.gz QXUXJQMOMNIOEE-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(F)c([O-])c1 ZINC001141414075 804638601 /nfs/dbraw/zinc/63/86/01/804638601.db2.gz RBPVHBOBDYOWAY-INIZCTEOSA-N -1 1 285.318 3.412 20 0 CGADMM COc1c(F)cc(NC(=O)c2cccc([O-])c2F)cc1F ZINC001141987893 804684572 /nfs/dbraw/zinc/68/45/72/804684572.db2.gz XSKJFIPXYYMVFR-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM CC(C)(C)c1ccnc(-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212482334 815036020 /nfs/dbraw/zinc/03/60/20/815036020.db2.gz JMDQFHBRJFNFLF-UHFFFAOYSA-N -1 1 296.330 3.197 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1sccc1F ZINC001142541956 804735110 /nfs/dbraw/zinc/73/51/10/804735110.db2.gz JKIQPWHKFSNUBV-UHFFFAOYSA-N -1 1 273.235 3.123 20 0 CGADMM C[C@@]1(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)CC=CCC1 ZINC001142540690 804735328 /nfs/dbraw/zinc/73/53/28/804735328.db2.gz MFUSZUFLTOOION-QGZVFWFLSA-N -1 1 297.358 3.263 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cc(F)cc(F)c1O ZINC001212486226 815037623 /nfs/dbraw/zinc/03/76/23/815037623.db2.gz RLIKFJPBHRIAHG-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM [O-]c1cc(Nc2cnn(CC(F)(F)F)c2)cc(F)c1F ZINC001248666489 804964846 /nfs/dbraw/zinc/96/48/46/804964846.db2.gz ZFLOZJCJTLIWNY-UHFFFAOYSA-N -1 1 293.195 3.173 20 0 CGADMM C[C@@H]1CCN(Cc2c(F)cc([O-])cc2F)CC1(F)F ZINC001144542469 805000245 /nfs/dbraw/zinc/00/02/45/805000245.db2.gz ZABKAUJYBBRCBA-MRVPVSSYSA-N -1 1 277.261 3.148 20 0 CGADMM Cc1cc([C@@H]2CCCN2Cc2c(F)cc([O-])cc2F)no1 ZINC001144541439 805001006 /nfs/dbraw/zinc/00/10/06/805001006.db2.gz FRNMPGZBBFAXQQ-HNNXBMFYSA-N -1 1 294.301 3.304 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@H](F)C(F)(F)CC2)c(F)c1 ZINC001144542341 805001817 /nfs/dbraw/zinc/00/18/17/805001817.db2.gz UFCPRIFDXDJICC-LBPRGKRZSA-N -1 1 295.251 3.240 20 0 CGADMM Cc1cnc(SCc2cccc(Cl)c2)[n-]c1=O ZINC001166227749 807041194 /nfs/dbraw/zinc/04/11/94/807041194.db2.gz UERPLVUHCFTBEN-UHFFFAOYSA-N -1 1 266.753 3.436 20 0 CGADMM Cc1cnc(S[C@H](C)c2ccccc2F)[n-]c1=O ZINC001166227504 807041689 /nfs/dbraw/zinc/04/16/89/807041689.db2.gz JPDXBIHQBVNGHT-SECBINFHSA-N -1 1 264.325 3.483 20 0 CGADMM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001144815897 805057060 /nfs/dbraw/zinc/05/70/60/805057060.db2.gz UOIGYKLTHLLYKO-KCJUWKMLSA-N -1 1 287.281 3.329 20 0 CGADMM CC(C)n1ncc(C(=O)Nc2c([O-])cccc2F)c1Cl ZINC001146491966 805069840 /nfs/dbraw/zinc/06/98/40/805069840.db2.gz HNRHSKYXRWOPCX-UHFFFAOYSA-N -1 1 297.717 3.214 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CCCC[C@H]1C1CC1 ZINC001146550975 805074833 /nfs/dbraw/zinc/07/48/33/805074833.db2.gz MYNLVQZISGWKKG-LSDHHAIUSA-N -1 1 277.339 3.452 20 0 CGADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cscn1 ZINC001147369881 805124029 /nfs/dbraw/zinc/12/40/29/805124029.db2.gz PGZKOROIVMHUTL-UHFFFAOYSA-N -1 1 288.250 3.120 20 0 CGADMM CC(C)[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148790729 805211403 /nfs/dbraw/zinc/21/14/03/805211403.db2.gz TZLHQWYRVAPXOP-QMMMGPOBSA-N -1 1 275.270 3.185 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC2(CCC2)C1 ZINC001150288863 805256545 /nfs/dbraw/zinc/25/65/45/805256545.db2.gz GBQUDGGZPAFVOO-UHFFFAOYSA-N -1 1 285.265 3.037 20 0 CGADMM CSc1nc(Nc2cc3ccc(F)cc3[nH]2)cc(=O)[n-]1 ZINC001249875108 805273279 /nfs/dbraw/zinc/27/32/79/805273279.db2.gz XJTDHOGQCHEZLP-UHFFFAOYSA-N -1 1 290.323 3.268 20 0 CGADMM CSc1cc(Nc2cc([O-])c(F)c(F)c2F)n(C)n1 ZINC001249960749 805326756 /nfs/dbraw/zinc/32/67/56/805326756.db2.gz SAZVTYJSGXTTCB-UHFFFAOYSA-N -1 1 289.282 3.009 20 0 CGADMM CCOc1ccncc1Nc1cc([O-])c(F)c(F)c1F ZINC001249959557 805327320 /nfs/dbraw/zinc/32/73/20/805327320.db2.gz XEGYLAXCTMHKOW-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM [O-]c1cc(Nc2nccc3cnccc32)c(F)c(F)c1F ZINC001249960428 805327391 /nfs/dbraw/zinc/32/73/91/805327391.db2.gz HBQAXHKZSDWBRC-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM C[C@@H](O)c1ccnc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249961099 805328150 /nfs/dbraw/zinc/32/81/50/805328150.db2.gz FRFAWONMDPZWDZ-ZCFIWIBFSA-N -1 1 284.237 3.001 20 0 CGADMM Nc1ccc2ccn(-c3cc([O-])c(F)c(F)c3F)c2c1 ZINC001249961735 805328609 /nfs/dbraw/zinc/32/86/09/805328609.db2.gz CLZCKGPTCDKRSM-UHFFFAOYSA-N -1 1 278.233 3.336 20 0 CGADMM COc1ccc(Nc2cc(Cl)c([O-])cc2F)c(OC)n1 ZINC001250020005 805370282 /nfs/dbraw/zinc/37/02/82/805370282.db2.gz AJWSIUBBHALGJH-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM COCCn1ncc(C)c1Nc1cc(Cl)c([O-])cc1F ZINC001250023077 805373917 /nfs/dbraw/zinc/37/39/17/805373917.db2.gz BNCQVPCFNIVORY-UHFFFAOYSA-N -1 1 299.733 3.080 20 0 CGADMM CNC(=O)c1cccc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250023939 805375019 /nfs/dbraw/zinc/37/50/19/805375019.db2.gz IVENSAQGYZGZRQ-UHFFFAOYSA-N -1 1 294.713 3.288 20 0 CGADMM CC(C)N(c1cc(Cl)c([O-])cc1F)c1ncc(N)cn1 ZINC001250023581 805375601 /nfs/dbraw/zinc/37/56/01/805375601.db2.gz PZIZLXUIJVCDDL-UHFFFAOYSA-N -1 1 296.733 3.103 20 0 CGADMM NC(=O)c1ccc(Nc2cc(Cl)c([O-])cc2F)cc1F ZINC001250029419 805379898 /nfs/dbraw/zinc/37/98/98/805379898.db2.gz JCAOGJSPHXNZFV-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM CC(=O)CC(C)(C)NC(=O)c1c([O-])ccc2ccccc21 ZINC001153511203 805399918 /nfs/dbraw/zinc/39/99/18/805399918.db2.gz XNTRMDGGIKEXSU-UHFFFAOYSA-N -1 1 285.343 3.033 20 0 CGADMM [O-]c1c(F)cc(C[C@@H]2COc3ccccc3O2)cc1F ZINC001250173990 805461015 /nfs/dbraw/zinc/46/10/15/805461015.db2.gz BGZVWIDTBWYNJV-SNVBAGLBSA-N -1 1 278.254 3.053 20 0 CGADMM Cc1cc(N)cc2cnn(-c3ccc(Cl)c([O-])c3)c21 ZINC001212595346 815080637 /nfs/dbraw/zinc/08/06/37/815080637.db2.gz OZSQLQWZJIEXBU-UHFFFAOYSA-N -1 1 273.723 3.275 20 0 CGADMM COc1ncccc1Nc1c(F)ccc([O-])c1Cl ZINC001250227898 805505087 /nfs/dbraw/zinc/50/50/87/805505087.db2.gz BMHFHNPIPACGRI-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM Cc1cc2ncc(Nc3c(F)ccc([O-])c3Cl)cn2n1 ZINC001250230059 805506162 /nfs/dbraw/zinc/50/61/62/805506162.db2.gz SUGRFXZSMPOQKH-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM COc1cc(OC)c(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250233988 805508041 /nfs/dbraw/zinc/50/80/41/805508041.db2.gz IGTMSLQCRMHAPY-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM NC(=O)c1ccc(F)cc1Nc1c(F)ccc([O-])c1Cl ZINC001250232885 805508083 /nfs/dbraw/zinc/50/80/83/805508083.db2.gz XSYVPAMSJLNXCD-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM COc1cc(CO)cc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250238110 805513960 /nfs/dbraw/zinc/51/39/60/805513960.db2.gz UFAKWFWNNIYSBK-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM COc1cc(Cc2ccc([O-])c(F)c2F)cc(OC)c1 ZINC001250297672 805550860 /nfs/dbraw/zinc/55/08/60/805550860.db2.gz LRFDRNZRAPWGIH-UHFFFAOYSA-N -1 1 280.270 3.278 20 0 CGADMM CCC1(NC(=O)c2[n-][nH]c3cc(=O)ccc2-3)CCCCC1 ZINC001155269514 805565379 /nfs/dbraw/zinc/56/53/79/805565379.db2.gz IXXWJVMAGKICBZ-UHFFFAOYSA-N -1 1 287.363 3.111 20 0 CGADMM COC(=O)c1cc(Nc2ccnc(Cl)c2[O-])ccc1C ZINC001212625733 815087845 /nfs/dbraw/zinc/08/78/45/815087845.db2.gz FUUBEERKISUSMK-UHFFFAOYSA-N -1 1 292.722 3.279 20 0 CGADMM [O-]c1ccc(F)c(-c2nnc(C3CCCC3)o2)c1F ZINC001257588264 807201957 /nfs/dbraw/zinc/20/19/57/807201957.db2.gz GKYUPJFKDUCGFX-UHFFFAOYSA-N -1 1 266.247 3.378 20 0 CGADMM FC(F)(F)c1cnc(-c2nc(-c3ccccc3)no2)[n-]1 ZINC001212689660 815104519 /nfs/dbraw/zinc/10/45/19/815104519.db2.gz KYFPWURQOVDGDV-UHFFFAOYSA-N -1 1 280.209 3.146 20 0 CGADMM FC(F)(F)c1c[n-]c(-c2nc(-c3ccccc3)no2)n1 ZINC001212689660 815104520 /nfs/dbraw/zinc/10/45/20/815104520.db2.gz KYFPWURQOVDGDV-UHFFFAOYSA-N -1 1 280.209 3.146 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2ccc3occc3c2)no1 ZINC001212721224 815113782 /nfs/dbraw/zinc/11/37/82/815113782.db2.gz DYHXOFMQCRKMCM-UHFFFAOYSA-N -1 1 279.255 3.250 20 0 CGADMM [O-]c1ccc(-c2nnc(Cc3cccc(F)c3)o2)c(F)c1 ZINC001258572029 807493814 /nfs/dbraw/zinc/49/38/14/807493814.db2.gz YMDDZKLDUWDBGO-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)cn1 ZINC001259162710 807674789 /nfs/dbraw/zinc/67/47/89/807674789.db2.gz KVOLVMMUSGTRLQ-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM Cc1ccc2cccnc2c1[N-]S(=O)(=O)C1CCCC1 ZINC001259800241 807685963 /nfs/dbraw/zinc/68/59/63/807685963.db2.gz ABHWOHMDXNNVMH-UHFFFAOYSA-N -1 1 290.388 3.228 20 0 CGADMM CC(C)CS(=O)(=O)[N-]c1ccccc1-c1nccs1 ZINC001259887318 807693090 /nfs/dbraw/zinc/69/30/90/807693090.db2.gz WKKJVLUTAFEAKC-UHFFFAOYSA-N -1 1 296.417 3.208 20 0 CGADMM CCCCc1cccc(Nc2[n-]c(=O)nc3nc[nH]c32)c1 ZINC001170229673 807798507 /nfs/dbraw/zinc/79/85/07/807798507.db2.gz WHNTWLLZZFTXRP-UHFFFAOYSA-N -1 1 283.335 3.145 20 0 CGADMM CCOc1ncc(Nc2c([O-])cc(F)cc2F)cc1F ZINC001212830780 815149078 /nfs/dbraw/zinc/14/90/78/815149078.db2.gz ARCALDVANPBLKP-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM CCOc1ncc(Nc2ccc(F)c(F)c2[O-])cc1F ZINC001212833231 815150095 /nfs/dbraw/zinc/15/00/95/815150095.db2.gz OHZZRRZQDZMDPF-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM Cc1c(Cl)cc(Nc2cnc(N)nc2)c([O-])c1Cl ZINC001212966225 815190364 /nfs/dbraw/zinc/19/03/64/815190364.db2.gz MGNIFZDSRGHAFF-UHFFFAOYSA-N -1 1 285.134 3.123 20 0 CGADMM CC(C)c1nnc([N-]c2ccnc(OCC3CC3)c2)o1 ZINC001213014517 815199843 /nfs/dbraw/zinc/19/98/43/815199843.db2.gz XPXWHRYUNYALEJ-UHFFFAOYSA-N -1 1 274.324 3.120 20 0 CGADMM COc1ccc([N-]c2nnc(C)o2)c(C(F)(F)F)c1 ZINC001213046507 815212196 /nfs/dbraw/zinc/21/21/96/815212196.db2.gz LPGPODIXHLAZSB-UHFFFAOYSA-N -1 1 273.214 3.149 20 0 CGADMM COc1ccc(Nc2cc(F)c([O-])c(F)c2)c(OC)c1 ZINC001173891367 808745888 /nfs/dbraw/zinc/74/58/88/808745888.db2.gz MQHQMMXZMOGTJM-UHFFFAOYSA-N -1 1 281.258 3.431 20 0 CGADMM COc1ncc(Nc2ccc(Cl)c(Cl)c2[O-])cn1 ZINC001174035294 808833554 /nfs/dbraw/zinc/83/35/54/808833554.db2.gz QNVRCNXRQKDUEV-UHFFFAOYSA-N -1 1 286.118 3.241 20 0 CGADMM Cn1cnc2ccc(Nc3c([O-])cc(F)cc3F)cc21 ZINC001174347113 808969783 /nfs/dbraw/zinc/96/97/83/808969783.db2.gz HGZHTJRVSGIULP-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM Cn1cc(Nc2ccc(Cl)c(Cl)c2[O-])ccc1=O ZINC001174359929 808975091 /nfs/dbraw/zinc/97/50/91/808975091.db2.gz TVEURWXBFHCAFG-UHFFFAOYSA-N -1 1 285.130 3.141 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cnc2[nH]ccc2c1 ZINC001174398776 808996465 /nfs/dbraw/zinc/99/64/65/808996465.db2.gz GCKZEFQFXGAZQB-UHFFFAOYSA-N -1 1 261.231 3.242 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cc(F)ccc1O ZINC001174627024 809109124 /nfs/dbraw/zinc/10/91/24/809109124.db2.gz GECDYIWWJJGKJY-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM CSc1nc(Nc2cccc3ncccc32)cc(=O)[n-]1 ZINC001174903425 809195619 /nfs/dbraw/zinc/19/56/19/809195619.db2.gz FLXYXXRVBCVCKC-UHFFFAOYSA-N -1 1 284.344 3.196 20 0 CGADMM Cc1nnc([N-]c2cc(F)cc(C(F)(F)F)c2)o1 ZINC001175060088 809256259 /nfs/dbraw/zinc/25/62/59/809256259.db2.gz GFRAZRRNMFPEAW-UHFFFAOYSA-N -1 1 261.178 3.280 20 0 CGADMM CSc1nc(Nc2cc(F)c(F)cc2F)cc(=O)[n-]1 ZINC001175084021 809262977 /nfs/dbraw/zinc/26/29/77/809262977.db2.gz IVFPTKRWWYOERY-UHFFFAOYSA-N -1 1 287.266 3.065 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1c(F)ccc(O)c1F ZINC001175266743 809331818 /nfs/dbraw/zinc/33/18/18/809331818.db2.gz YVCOEEFAFGRGQF-UHFFFAOYSA-N -1 1 272.638 3.168 20 0 CGADMM Cc1cc(Nc2cccc(C(=O)[O-])c2)n(-c2ccncc2)n1 ZINC001175329482 809358048 /nfs/dbraw/zinc/35/80/48/809358048.db2.gz YLNPASHANPMQGG-UHFFFAOYSA-N -1 1 294.314 3.018 20 0 CGADMM Cn1ncc2cccc(Nc3cc(F)c([O-])c(F)c3)c21 ZINC001175443992 809408231 /nfs/dbraw/zinc/40/82/31/809408231.db2.gz ZNUZDRSYUSTHQO-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM CCN(C(=O)c1ccc([O-])cc1F)c1cccc(OC)c1 ZINC001290703603 809412803 /nfs/dbraw/zinc/41/28/03/809412803.db2.gz DHKCJTDQDLYXLY-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc2nccnc2c1 ZINC001175487150 809426309 /nfs/dbraw/zinc/42/63/09/809426309.db2.gz WZPWYXBVGAUSJW-UHFFFAOYSA-N -1 1 272.695 3.127 20 0 CGADMM Cc1cocc1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001296434062 809503428 /nfs/dbraw/zinc/50/34/28/809503428.db2.gz JDYPEYUMIQRKSH-UHFFFAOYSA-N -1 1 296.120 3.308 20 0 CGADMM Cc1cc(C)c(Nc2cc([O-])c(F)c(F)c2)cn1 ZINC001213515833 815294974 /nfs/dbraw/zinc/29/49/74/815294974.db2.gz OGJTUPZUONMPKA-UHFFFAOYSA-N -1 1 250.248 3.426 20 0 CGADMM O=C(NCCCc1ccccc1F)c1ccc(F)c([O-])c1 ZINC001297356531 809516009 /nfs/dbraw/zinc/51/60/09/809516009.db2.gz YJFRLMJEXWSAIR-UHFFFAOYSA-N -1 1 291.297 3.033 20 0 CGADMM CCCn1nc(C)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001175804488 809548905 /nfs/dbraw/zinc/54/89/05/809548905.db2.gz FAPUMCDDVXSIOY-UHFFFAOYSA-N -1 1 267.279 3.329 20 0 CGADMM [O-]c1cc(Nc2ccc(F)cn2)c(F)cc1Cl ZINC001175850518 809557232 /nfs/dbraw/zinc/55/72/32/809557232.db2.gz JVXDMRIVOWTFRV-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM CC(C)(NC(=O)c1cc(Cl)ccc1[O-])[C@H]1CCCCO1 ZINC001302673255 809599053 /nfs/dbraw/zinc/59/90/53/809599053.db2.gz LLEYNVSDOBICFE-CYBMUJFWSA-N -1 1 297.782 3.123 20 0 CGADMM CCC[C@H](C)CCNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001303150524 809605069 /nfs/dbraw/zinc/60/50/69/809605069.db2.gz ZNIQISCEJFDFPT-NSHDSACASA-N -1 1 277.364 3.069 20 0 CGADMM O=C([N-]c1cscc1Cl)c1c(F)cncc1F ZINC001303266918 809606835 /nfs/dbraw/zinc/60/68/35/809606835.db2.gz GMSWHPSLUHPQGZ-UHFFFAOYSA-N -1 1 274.679 3.327 20 0 CGADMM CCC[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001303298715 809608364 /nfs/dbraw/zinc/60/83/64/809608364.db2.gz IMYWKODWOGMJBD-GHMZBOCLSA-N -1 1 267.756 3.098 20 0 CGADMM O=C(NCC1(CC2CC2)CC1)c1ncc2ccccc2c1[O-] ZINC001176277926 809658997 /nfs/dbraw/zinc/65/89/97/809658997.db2.gz SPEFXCSLIRXUGH-UHFFFAOYSA-N -1 1 296.370 3.251 20 0 CGADMM O=C([O-])C1(c2ccc(Nc3ccc4nccn4c3)cc2)CC1 ZINC001176580811 809723011 /nfs/dbraw/zinc/72/30/11/809723011.db2.gz ADHLBUFWSJMNLY-UHFFFAOYSA-N -1 1 293.326 3.194 20 0 CGADMM COc1nc(C)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663081 809736929 /nfs/dbraw/zinc/73/69/29/809736929.db2.gz AXFKDMWPDWPAPE-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM CCOc1cc(Nc2c(F)cc(F)c([O-])c2F)ccn1 ZINC001176664561 809738045 /nfs/dbraw/zinc/73/80/45/809738045.db2.gz PPQCKQCKJXMCCP-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM CC(=O)c1cccc(Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176670575 809740150 /nfs/dbraw/zinc/74/01/50/809740150.db2.gz ZEJHXTWJHLFFCS-UHFFFAOYSA-N -1 1 282.221 3.151 20 0 CGADMM O=C(Nc1cscc1Cl)c1ccc([O-])cc1F ZINC001176884992 809766426 /nfs/dbraw/zinc/76/64/26/809766426.db2.gz IVCGTQFXHYQFHB-UHFFFAOYSA-N -1 1 271.700 3.499 20 0 CGADMM CSC1(CNC(=O)c2ccc(F)c([O-])c2)CCCCC1 ZINC001178015950 809839661 /nfs/dbraw/zinc/83/96/61/809839661.db2.gz JEBCGJKFJQTXOD-UHFFFAOYSA-N -1 1 297.395 3.327 20 0 CGADMM COC(=O)Cc1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001213719649 815325430 /nfs/dbraw/zinc/32/54/30/815325430.db2.gz AFVRNGRXGXYHGQ-UHFFFAOYSA-N -1 1 293.269 3.130 20 0 CGADMM CC1(C)C(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)C1(C)C ZINC001179690177 809936999 /nfs/dbraw/zinc/93/69/99/809936999.db2.gz DFKNGEUNODZSPH-UHFFFAOYSA-N -1 1 299.374 3.199 20 0 CGADMM O=c1ccc2cc(Nc3cc([O-])c(F)c(F)c3)ccc2[nH]1 ZINC001213777521 815331201 /nfs/dbraw/zinc/33/12/01/815331201.db2.gz USUXHILBFNMMRV-UHFFFAOYSA-N -1 1 288.253 3.256 20 0 CGADMM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1c[n-][nH]c1=O ZINC001183562972 810152861 /nfs/dbraw/zinc/15/28/61/810152861.db2.gz NJWBMAKJBBIQNZ-UHFFFAOYSA-N -1 1 291.694 3.076 20 0 CGADMM Cn1ccc2cc(NC(=O)c3ccc([O-])c(F)c3)ccc21 ZINC001186225996 810322041 /nfs/dbraw/zinc/32/20/41/810322041.db2.gz IXIQNXJKJNQHSM-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM CC(C)(C)Cc1cc(NC(=O)c2ccc([O-])cc2F)on1 ZINC001186311246 810326389 /nfs/dbraw/zinc/32/63/89/810326389.db2.gz OPFBIEINTVYOQJ-UHFFFAOYSA-N -1 1 292.310 3.360 20 0 CGADMM COC(=O)c1c(F)cccc1Nc1c([O-])cc(F)cc1F ZINC001214049956 815361771 /nfs/dbraw/zinc/36/17/71/815361771.db2.gz BTOWYSCUCIMRLP-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM COC(=O)c1c(F)cccc1Nc1cc([O-])c(F)c(F)c1 ZINC001214052544 815361950 /nfs/dbraw/zinc/36/19/50/815361950.db2.gz VWLKCFLBCHBBJP-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM Cc1csc(NC(=O)c2ncc(C(F)(F)F)[n-]2)c1 ZINC001188281479 810473700 /nfs/dbraw/zinc/47/37/00/810473700.db2.gz WRFPGLRXTGVPNM-UHFFFAOYSA-N -1 1 275.255 3.051 20 0 CGADMM Cc1csc(NC(=O)c2nc(C(F)(F)F)c[n-]2)c1 ZINC001188281479 810473704 /nfs/dbraw/zinc/47/37/04/810473704.db2.gz WRFPGLRXTGVPNM-UHFFFAOYSA-N -1 1 275.255 3.051 20 0 CGADMM CCOc1ccccc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191523716 810722174 /nfs/dbraw/zinc/72/21/74/810722174.db2.gz SLFBWQVXMCWWGN-UHFFFAOYSA-N -1 1 283.393 3.017 20 0 CGADMM O=C(Nc1cnc2occc2c1)c1c(F)ccc([O-])c1F ZINC001192527073 810804556 /nfs/dbraw/zinc/80/45/56/810804556.db2.gz RFVPTCBMCSXLIS-UHFFFAOYSA-N -1 1 290.225 3.064 20 0 CGADMM Cc1cnc(Cl)c(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC001192523546 810804762 /nfs/dbraw/zinc/80/47/62/810804762.db2.gz CFLKOZPHVFDBDF-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM C[C@H]1CCC[C@H](C)N1C(=O)c1cc([O-])cc(F)c1F ZINC001192651717 810813981 /nfs/dbraw/zinc/81/39/81/810813981.db2.gz KRAHOMSZCNPNIY-IUCAKERBSA-N -1 1 269.291 3.074 20 0 CGADMM COc1cc(Nc2cc(F)c([O-])c(Cl)c2)c(F)cn1 ZINC001214484128 815416801 /nfs/dbraw/zinc/41/68/01/815416801.db2.gz AQPCVXQOYQBDOW-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM Nc1cccc2c1N(c1cc(F)c([O-])c(Cl)c1)CC2 ZINC001214494318 815417331 /nfs/dbraw/zinc/41/73/31/815417331.db2.gz MJQTTWCMLCNQHW-UHFFFAOYSA-N -1 1 278.714 3.461 20 0 CGADMM Nc1ccc(O)c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214490043 815417411 /nfs/dbraw/zinc/41/74/11/815417411.db2.gz NZVAYLQSGGFCBH-UHFFFAOYSA-N -1 1 268.675 3.216 20 0 CGADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ncccc1Cl ZINC001194609855 811095498 /nfs/dbraw/zinc/09/54/98/811095498.db2.gz NBXZHEKFKYTJOT-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM CC(C)CCOC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001194875039 811160004 /nfs/dbraw/zinc/16/00/04/811160004.db2.gz RPPRYAIWMHSVHD-UHFFFAOYSA-N -1 1 259.252 3.265 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)Oc1ccc(F)cc1 ZINC001195035903 811189010 /nfs/dbraw/zinc/18/90/10/811189010.db2.gz PLAVVFNYKZMPEK-UHFFFAOYSA-N -1 1 283.205 3.420 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2ccc(F)c(C3CC3)c2)n1 ZINC001195329734 811243051 /nfs/dbraw/zinc/24/30/51/811243051.db2.gz HGUSNGSZULCDKW-UHFFFAOYSA-N -1 1 286.306 3.364 20 0 CGADMM O=C1CCc2ccc(-c3noc(-c4ccccc4[O-])n3)cc21 ZINC001215142163 815487658 /nfs/dbraw/zinc/48/76/58/815487658.db2.gz MQUPRLXGZJWCFG-UHFFFAOYSA-N -1 1 292.294 3.238 20 0 CGADMM COc1ccccc1NC(=O)Nc1cc(Cl)ncc1[O-] ZINC001202117024 812018733 /nfs/dbraw/zinc/01/87/33/812018733.db2.gz IKNMYOFYWIBMHF-UHFFFAOYSA-N -1 1 293.710 3.093 20 0 CGADMM COc1cccc(NC(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001202276302 812055524 /nfs/dbraw/zinc/05/55/24/812055524.db2.gz OPSHKXQXALUJBH-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM Cc1ccc(NC(=O)Nc2cc(Cl)ncc2[O-])cc1 ZINC001202422354 812088463 /nfs/dbraw/zinc/08/84/63/812088463.db2.gz MSMPCRLGEIANGY-UHFFFAOYSA-N -1 1 277.711 3.393 20 0 CGADMM O=C([O-])c1c(F)ccc(Nc2ccc3nccn3c2)c1F ZINC001215268446 815500976 /nfs/dbraw/zinc/50/09/76/815500976.db2.gz ZFEWXEUNAUEJDR-UHFFFAOYSA-N -1 1 289.241 3.054 20 0 CGADMM O=C([O-])c1c(F)cc(Nc2ccc3nccn3c2)cc1F ZINC001203318861 812309768 /nfs/dbraw/zinc/30/97/68/812309768.db2.gz KENKHPHVSNWDTC-UHFFFAOYSA-N -1 1 289.241 3.054 20 0 CGADMM Fc1cc([N-]c2nnc(-c3ccco3)o2)cc2[nH]ncc21 ZINC001215552712 815531529 /nfs/dbraw/zinc/53/15/29/815531529.db2.gz AECFHHBJHNECTC-UHFFFAOYSA-N -1 1 285.238 3.089 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc(-c3nnco3)c2)cc1F ZINC001215574221 815538333 /nfs/dbraw/zinc/53/83/33/815538333.db2.gz ZKOXGSOIDBSZHA-UHFFFAOYSA-N -1 1 289.241 3.464 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc3c(c2)COC3)cc1F ZINC001215571977 815537817 /nfs/dbraw/zinc/53/78/17/815537817.db2.gz QZQSPTBPSYQYOP-UHFFFAOYSA-N -1 1 263.243 3.444 20 0 CGADMM COc1cccc(N)c1Nc1cc(F)c([O-])cc1F ZINC001215576331 815540080 /nfs/dbraw/zinc/54/00/80/815540080.db2.gz VWXKZHTUDMUUOH-UHFFFAOYSA-N -1 1 266.247 3.005 20 0 CGADMM Fc1cccnc1[N-]c1nc(C(F)(F)F)cs1 ZINC001209805473 814148958 /nfs/dbraw/zinc/14/89/58/814148958.db2.gz UMTXIJYUICTZCG-UHFFFAOYSA-N -1 1 263.219 3.440 20 0 CGADMM CN(C)c1ccccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001209995321 814235468 /nfs/dbraw/zinc/23/54/68/814235468.db2.gz QGKMUNMOBCMTKX-UHFFFAOYSA-N -1 1 294.358 3.388 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc(F)c1O ZINC001210195611 814332101 /nfs/dbraw/zinc/33/21/01/814332101.db2.gz OGBLCVLMLVITHS-UHFFFAOYSA-N -1 1 287.246 3.087 20 0 CGADMM Cc1nn(-c2cccc(Cl)c2[O-])c2cc(N)cc(F)c12 ZINC001210223402 814351301 /nfs/dbraw/zinc/35/13/01/814351301.db2.gz SVGNBLUYCANESZ-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cccc2c1OCCO2 ZINC001210367389 814425895 /nfs/dbraw/zinc/42/58/95/814425895.db2.gz IIDRAGSTYXCKEV-UHFFFAOYSA-N -1 1 279.242 3.185 20 0 CGADMM C[C@H](O)c1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001210510820 814500161 /nfs/dbraw/zinc/50/01/61/814500161.db2.gz APJZFWGCKBHATE-LBPRGKRZSA-N -1 1 295.342 3.375 20 0 CGADMM C[C@H](O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001210647405 814570739 /nfs/dbraw/zinc/57/07/39/814570739.db2.gz FODBTSVCDYAJNP-QMMMGPOBSA-N -1 1 265.259 3.467 20 0 CGADMM CC(C)Oc1cc(-c2cccc([O-])c2Cl)ncn1 ZINC001242797880 823135969 /nfs/dbraw/zinc/13/59/69/823135969.db2.gz OAWCNXOBGZPCSC-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM CSc1ncc(F)c(-c2cccc([O-])c2Cl)n1 ZINC001242797607 823135187 /nfs/dbraw/zinc/13/51/87/823135187.db2.gz KVCFYYMQAGAQFA-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM CC(C)n1cnc2cnc(-c3cccc([O-])c3Cl)nc21 ZINC001242800088 823136762 /nfs/dbraw/zinc/13/67/62/823136762.db2.gz DGANQYNSRUIGIK-UHFFFAOYSA-N -1 1 288.738 3.433 20 0 CGADMM COc1ncc(Nc2ccc(F)c(F)c2[O-])cc1Cl ZINC001211050230 814723075 /nfs/dbraw/zinc/72/30/75/814723075.db2.gz SLVCXUSNPOBFEU-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM O=C1OCc2c1cccc2-c1cccc([O-])c1Cl ZINC001242799808 823136226 /nfs/dbraw/zinc/13/62/26/823136226.db2.gz DOOWIXXZSGJDLA-UHFFFAOYSA-N -1 1 260.676 3.383 20 0 CGADMM CCOC(=O)c1cncc(-c2cccc([O-])c2Cl)c1 ZINC001242799536 823136513 /nfs/dbraw/zinc/13/65/13/823136513.db2.gz QBJKRLWLYQJBFU-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM NC(=O)c1cnc2ccc(-c3cccc([O-])c3Cl)cc2c1 ZINC001242801376 823137086 /nfs/dbraw/zinc/13/70/86/823137086.db2.gz ZDLQDQWDHXKSKU-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM COC(=O)c1ccc([N-]c2nnc(C(C)(C)C)o2)cc1C ZINC001211168790 814840223 /nfs/dbraw/zinc/84/02/23/814840223.db2.gz FNEQLFYMSZTEFE-UHFFFAOYSA-N -1 1 289.335 3.206 20 0 CGADMM O=C1NCc2cc(-c3cccc([O-])c3Cl)cc(F)c21 ZINC001242800769 823137298 /nfs/dbraw/zinc/13/72/98/823137298.db2.gz OMCUJAUNVKOJPC-UHFFFAOYSA-N -1 1 277.682 3.095 20 0 CGADMM CCN(CC)c1ncc(-c2cccc([O-])c2Cl)cn1 ZINC001242802492 823137890 /nfs/dbraw/zinc/13/78/90/823137890.db2.gz JTLBTUOYNKHNIF-UHFFFAOYSA-N -1 1 277.755 3.349 20 0 CGADMM [O-]c1cc(F)c(-c2cc3[nH]cnc3c(F)c2)cc1F ZINC001211359150 814885603 /nfs/dbraw/zinc/88/56/03/814885603.db2.gz BVMNPCJHVHINQQ-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM CCOCc1cncc(Nc2ccnc(Cl)c2[O-])c1 ZINC001215788110 815591330 /nfs/dbraw/zinc/59/13/30/815591330.db2.gz ZRGJOYQOPFJMRF-UHFFFAOYSA-N -1 1 279.727 3.116 20 0 CGADMM Cc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)c(OC(C)C)c1 ZINC001215878352 815621912 /nfs/dbraw/zinc/62/19/12/815621912.db2.gz FIAMHTRBLWKMGZ-UHFFFAOYSA-N -1 1 297.358 3.409 20 0 CGADMM Cc1c(F)cncc1Nc1ccnc(Cl)c1[O-] ZINC001216192045 815730972 /nfs/dbraw/zinc/73/09/72/815730972.db2.gz OVEATQBWVICZME-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM [O-]c1c(Cl)c(Cl)ccc1NC1=CCCOC1 ZINC001216510453 815847815 /nfs/dbraw/zinc/84/78/15/815847815.db2.gz QYDPMPIYDUPARL-UHFFFAOYSA-N -1 1 260.120 3.415 20 0 CGADMM CN(C)Cc1cccc(-c2ccccc2C(=O)[O-])c1F ZINC001242881641 823163590 /nfs/dbraw/zinc/16/35/90/823163590.db2.gz NNORWOVCUPDQMF-UHFFFAOYSA-N -1 1 273.307 3.253 20 0 CGADMM Cc1nc(C2CC2)nc(-c2ccc(F)c([O-])c2)c1F ZINC001243050753 823227931 /nfs/dbraw/zinc/22/79/31/823227931.db2.gz SGFLKOGIBVIIFD-UHFFFAOYSA-N -1 1 262.259 3.313 20 0 CGADMM Cc1ccc(-c2cnnc(-c3ccc(F)c([O-])c3)n2)cc1 ZINC001243054357 823230007 /nfs/dbraw/zinc/23/00/07/823230007.db2.gz NXNZHXMJMCLARB-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H]1COCc2ccccc21 ZINC001225616554 817113874 /nfs/dbraw/zinc/11/38/74/817113874.db2.gz LREHQWREEIDYHY-KRWDZBQOSA-N -1 1 284.311 3.245 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)CC(=O)OC(C)(C)C ZINC001225616269 817113929 /nfs/dbraw/zinc/11/39/29/817113929.db2.gz HIFBAJBNKQUYNV-JTQLQIEISA-N -1 1 294.347 3.094 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H]1CCC(F)(F)C1 ZINC001225619383 817115024 /nfs/dbraw/zinc/11/50/24/817115024.db2.gz ULNZSSHNIZSKCX-JTQLQIEISA-N -1 1 256.248 3.161 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H]1CCC=CCCC1 ZINC001226241912 817308455 /nfs/dbraw/zinc/30/84/55/817308455.db2.gz DIBFLHOIBCPYLJ-SNVBAGLBSA-N -1 1 266.366 3.042 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H](C)C3CCC3)c12 ZINC001226488205 817373375 /nfs/dbraw/zinc/37/33/75/817373375.db2.gz FMPZLFMSKWYTBD-JTQLQIEISA-N -1 1 274.316 3.374 20 0 CGADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1cnc[n-]c1=O ZINC001227048874 817543092 /nfs/dbraw/zinc/54/30/92/817543092.db2.gz MUUWPPLTEBQUHG-UTUOFQBUSA-N -1 1 250.342 3.022 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@H]2CCc3ccccc32)c1Cl ZINC001227116131 817564098 /nfs/dbraw/zinc/56/40/98/817564098.db2.gz JRJXCPCNZZCQLV-NSHDSACASA-N -1 1 276.723 3.210 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@H]1CCc2ccccc21 ZINC001227169541 817578701 /nfs/dbraw/zinc/57/87/01/817578701.db2.gz WGPRTZITKDQDNT-KRWDZBQOSA-N -1 1 298.338 3.288 20 0 CGADMM COCC(=O)c1ccc([O-])cc1OC1[C@@H](C)CCC[C@@H]1C ZINC001227172289 817579361 /nfs/dbraw/zinc/57/93/61/817579361.db2.gz NOWICDYUHGAKND-RYUDHWBXSA-N -1 1 292.375 3.425 20 0 CGADMM Fc1cc2c(c(F)c1)CC[C@H]2Oc1[n-]c(=S)ncc1F ZINC001227386893 817636914 /nfs/dbraw/zinc/63/69/14/817636914.db2.gz PVDRSGWAUHIZEA-LLVKDONJSA-N -1 1 298.289 3.249 20 0 CGADMM COC1=CC[C@@H](Oc2[n-]c(=S)nc3cnccc32)CC1 ZINC001227884520 817743979 /nfs/dbraw/zinc/74/39/79/817743979.db2.gz HNWABBQGYNWLHW-SNVBAGLBSA-N -1 1 289.360 3.149 20 0 CGADMM COc1cccc([C@@H](C)Oc2cc(=O)[n-]c(SC)n2)c1 ZINC001228091443 817809751 /nfs/dbraw/zinc/80/97/51/817809751.db2.gz ZOVUNORZBOLTHO-SECBINFHSA-N -1 1 292.360 3.053 20 0 CGADMM C[C@H]1CC[C@H](Oc2cccnc2-c2ncccc2[O-])C1 ZINC001231200245 818056372 /nfs/dbraw/zinc/05/63/72/818056372.db2.gz KPPROBCPAXZCIZ-RYUDHWBXSA-N -1 1 270.332 3.417 20 0 CGADMM [O-]c1cc(CN2CCc3c(O)cccc3C2)ccc1Cl ZINC001231732733 818160915 /nfs/dbraw/zinc/16/09/15/818160915.db2.gz DXNQWAUKTGLYLN-UHFFFAOYSA-N -1 1 289.762 3.310 20 0 CGADMM [O-]c1cccc(CN2CCC[C@H]2c2ncccn2)c1Cl ZINC001232790687 818443496 /nfs/dbraw/zinc/44/34/96/818443496.db2.gz WCVCINVNKINUIE-LBPRGKRZSA-N -1 1 289.766 3.173 20 0 CGADMM C[C@@H]1CN(Cc2ccc(F)c([O-])c2F)CCC1(F)F ZINC001232930505 818475112 /nfs/dbraw/zinc/47/51/12/818475112.db2.gz AROQLLUCKWJSIY-MRVPVSSYSA-N -1 1 277.261 3.148 20 0 CGADMM O=C1CCN(Cc2ccc(F)c([O-])c2F)[C@@H]2CCCC[C@@H]12 ZINC001232931621 818475554 /nfs/dbraw/zinc/47/55/54/818475554.db2.gz PDUSDMZDANCWAU-DGCLKSJQSA-N -1 1 295.329 3.004 20 0 CGADMM [O-]c1c(F)ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1F ZINC001232935568 818477084 /nfs/dbraw/zinc/47/70/84/818477084.db2.gz UCUKKLNCMTZBRA-LLVKDONJSA-N -1 1 290.313 3.055 20 0 CGADMM [O-]c1c(F)ccc(CN2Cc3ccc(F)cc3C2)c1F ZINC001232934911 818477162 /nfs/dbraw/zinc/47/71/62/818477162.db2.gz KXWKQZXYYSUSHZ-UHFFFAOYSA-N -1 1 279.261 3.325 20 0 CGADMM Cc1ccc(CN(C)Cc2ccc(F)c([O-])c2F)cn1 ZINC001232940193 818479413 /nfs/dbraw/zinc/47/94/13/818479413.db2.gz MTDLNCCYEWQULX-UHFFFAOYSA-N -1 1 278.302 3.006 20 0 CGADMM [O-]c1ccc(-c2ccc3[nH]cnc3c2F)c(F)c1F ZINC001243340890 823354444 /nfs/dbraw/zinc/35/44/44/823354444.db2.gz IPQDSTYWQIHYBC-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1CCO[C@H](C)C1 ZINC001233650961 818669573 /nfs/dbraw/zinc/66/95/73/818669573.db2.gz UXICNWFJRAZWEB-DGCLKSJQSA-N -1 1 278.348 3.321 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OC1CN(C(C)(C)C)C1 ZINC001233650212 818669810 /nfs/dbraw/zinc/66/98/10/818669810.db2.gz JENVYKQDOHZNGI-UHFFFAOYSA-N -1 1 291.391 3.237 20 0 CGADMM Cc1c2cc[nH]c2ncc1-c1ccc([O-])c(F)c1F ZINC001243341797 823355001 /nfs/dbraw/zinc/35/50/01/823355001.db2.gz DEPNBDDECORFRP-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM COC(=O)c1ccc(C)cc1-c1ccc([O-])c(F)c1F ZINC001243342766 823356952 /nfs/dbraw/zinc/35/69/52/823356952.db2.gz SYGXXAWJNBYZRP-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM Cn1c(=O)ccc2cc(-c3ccc([O-])c(F)c3F)ccc21 ZINC001243343252 823358419 /nfs/dbraw/zinc/35/84/19/823358419.db2.gz ZAYNJHSHBRLCIL-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM Cc1ccc(S(C)(=O)=O)cc1-c1ccc([O-])c(F)c1F ZINC001243343445 823359171 /nfs/dbraw/zinc/35/91/71/823359171.db2.gz YTFPPKFEHABLAE-UHFFFAOYSA-N -1 1 298.310 3.049 20 0 CGADMM CCOc1ncc(-c2ccc([O-])c(F)c2F)cc1C ZINC001243343324 823359471 /nfs/dbraw/zinc/35/94/71/823359471.db2.gz VNURQXJVOYUCOX-UHFFFAOYSA-N -1 1 265.259 3.440 20 0 CGADMM O=C([O-])c1ccc(-c2nc[nH]c3nc(=S)sc2-3)cc1 ZINC001236056058 819291145 /nfs/dbraw/zinc/29/11/45/819291145.db2.gz AJNWGWJBIFZZKA-UHFFFAOYSA-N -1 1 289.341 3.066 20 0 CGADMM Cc1cc(-c2c(F)ccc(C)c2[O-])nc(C2CC2)n1 ZINC001236390741 819447601 /nfs/dbraw/zinc/44/76/01/819447601.db2.gz IHLUWADKTDBPRE-UHFFFAOYSA-N -1 1 258.296 3.483 20 0 CGADMM Cc1ccc(F)c(-c2cncc(N3CCCCC3)n2)c1[O-] ZINC001236391584 819447874 /nfs/dbraw/zinc/44/78/74/819447874.db2.gz PGXQTZGPGIPYLO-UHFFFAOYSA-N -1 1 287.338 3.287 20 0 CGADMM Cc1ccc(F)c(-c2ccc(Cn3ccnc3)cn2)c1[O-] ZINC001236392635 819448686 /nfs/dbraw/zinc/44/86/86/819448686.db2.gz QKFGQPZQPGXFBK-UHFFFAOYSA-N -1 1 283.306 3.147 20 0 CGADMM Cc1ccc(F)c(-c2cnc(OC3CCC3)cn2)c1[O-] ZINC001236414134 819460155 /nfs/dbraw/zinc/46/01/55/819460155.db2.gz GRAZOQPCPNRNEU-UHFFFAOYSA-N -1 1 274.295 3.228 20 0 CGADMM COc1cc(F)ccc1-c1cc(F)cc(F)c1[O-] ZINC001243503006 823421530 /nfs/dbraw/zinc/42/15/30/823421530.db2.gz DQPYGAPAYRXBQK-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cncc2cccnc21 ZINC001243501856 823421634 /nfs/dbraw/zinc/42/16/34/823421634.db2.gz DXRJFBVKZHHULX-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COC(=O)c1ccc(C)cc1-c1cc(F)cc(F)c1[O-] ZINC001243503153 823421874 /nfs/dbraw/zinc/42/18/74/823421874.db2.gz QASMZTMYSVCYDC-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM Cc1nc2ncc(-c3cc(F)cc(F)c3[O-])cc2o1 ZINC001243502661 823421933 /nfs/dbraw/zinc/42/19/33/823421933.db2.gz MZKVOFFYHHKUGO-UHFFFAOYSA-N -1 1 262.215 3.182 20 0 CGADMM CCNC(=O)c1ccccc1-c1cc(F)cc(F)c1[O-] ZINC001243504116 823422661 /nfs/dbraw/zinc/42/26/61/823422661.db2.gz MWUTYNCVFBLUIB-UHFFFAOYSA-N -1 1 277.270 3.087 20 0 CGADMM Cc1nc2cncc(-c3cc(F)cc(F)c3[O-])c2o1 ZINC001243506409 823423736 /nfs/dbraw/zinc/42/37/36/823423736.db2.gz VHOBPEKKIAQDGI-UHFFFAOYSA-N -1 1 262.215 3.182 20 0 CGADMM Cc1nc(-c2cccc([O-])c2F)nc2ccccc12 ZINC001243542883 823436579 /nfs/dbraw/zinc/43/65/79/823436579.db2.gz MOMOXTNBKUBDDK-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM Cc1cc2cnc(-c3ccc(Cl)c([O-])c3)nc2[nH]1 ZINC001243576492 823451366 /nfs/dbraw/zinc/45/13/66/823451366.db2.gz IHVDSJBKJBCWTP-UHFFFAOYSA-N -1 1 259.696 3.244 20 0 CGADMM COC(=O)c1cnc(-c2ccc(Cl)c([O-])c2)cc1C ZINC001243576506 823451556 /nfs/dbraw/zinc/45/15/56/823451556.db2.gz ITETWUDPZZVLDD-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM COc1ccc2ncnc(-c3ccc(Cl)c([O-])c3)c2n1 ZINC001243578737 823452883 /nfs/dbraw/zinc/45/28/83/823452883.db2.gz KGAOFROFKPDDTH-UHFFFAOYSA-N -1 1 287.706 3.059 20 0 CGADMM CC1(c2cccc(-c3ccc(Cl)c([O-])c3)n2)OCCO1 ZINC001243582138 823454000 /nfs/dbraw/zinc/45/40/00/823454000.db2.gz YREDJAGUTOWIGK-UHFFFAOYSA-N -1 1 291.734 3.327 20 0 CGADMM Cc1nnc2cc(-c3ccc(Cl)c([O-])c3)ccn12 ZINC001243581671 823454125 /nfs/dbraw/zinc/45/41/25/823454125.db2.gz QKSKPTATXUQPJY-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM Cc1c2nc[nH]c2ncc1-c1ccc(Cl)c([O-])c1 ZINC001243582115 823454178 /nfs/dbraw/zinc/45/41/78/823454178.db2.gz XWPBYWGVFVXCKK-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM CN1CCc2ccc(-c3ccc(Cl)c([O-])c3)cc2C1=O ZINC001243582402 823454397 /nfs/dbraw/zinc/45/43/97/823454397.db2.gz ROEBSQTYBSSBCH-UHFFFAOYSA-N -1 1 287.746 3.341 20 0 CGADMM O=C1COc2cccc(-c3ccc(Cl)c([O-])c3)c2N1 ZINC001243584639 823456060 /nfs/dbraw/zinc/45/60/60/823456060.db2.gz VGEIYHTVGWFZME-UHFFFAOYSA-N -1 1 275.691 3.044 20 0 CGADMM Cc1cncc(-c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001243609012 823466336 /nfs/dbraw/zinc/46/63/36/823466336.db2.gz LMALMERHWKLQLW-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM O=C([O-])C=Cc1cccc(-c2cccc3nc[nH]c32)c1 ZINC001240548902 821135633 /nfs/dbraw/zinc/13/56/33/821135633.db2.gz SZKDYPNHOICYBV-BQYQJAHWSA-N -1 1 264.284 3.328 20 0 CGADMM CC1CCN(c2cncc(-c3cc(F)ccc3[O-])n2)CC1 ZINC001240695549 821251316 /nfs/dbraw/zinc/25/13/16/821251316.db2.gz LUJISPFMPIIFHV-UHFFFAOYSA-N -1 1 287.338 3.225 20 0 CGADMM COc1nnc(-c2cc(F)ccc2[O-])cc1C(F)(F)F ZINC001240696263 821253004 /nfs/dbraw/zinc/25/30/04/821253004.db2.gz KNEKDLIGYXOMLA-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cncc(C)c3)cc2[n-]1 ZINC001240804099 821346145 /nfs/dbraw/zinc/34/61/45/821346145.db2.gz RQUQULORDBLZAX-UHFFFAOYSA-N -1 1 281.315 3.110 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cncc(C)c3)ccc2[n-]1 ZINC001240804099 821346155 /nfs/dbraw/zinc/34/61/55/821346155.db2.gz RQUQULORDBLZAX-UHFFFAOYSA-N -1 1 281.315 3.110 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(F)ccc3C)ccc2[n-]1 ZINC001240920330 821415903 /nfs/dbraw/zinc/41/59/03/821415903.db2.gz QKGTWPDTXRVZQM-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(F)ccc3C)cc2[n-]1 ZINC001240920330 821415906 /nfs/dbraw/zinc/41/59/06/821415906.db2.gz QKGTWPDTXRVZQM-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM [O-]c1cc(F)c(-c2cncc(C(F)(F)F)n2)c(F)c1 ZINC001241119770 821576060 /nfs/dbraw/zinc/57/60/60/821576060.db2.gz KKNOZPKYSSSVGR-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM COc1cc(F)c(-c2c(F)cc([O-])cc2F)c(OC)c1 ZINC001241120675 821576314 /nfs/dbraw/zinc/57/63/14/821576314.db2.gz GDLUFOSSJPRBFM-UHFFFAOYSA-N -1 1 284.233 3.494 20 0 CGADMM [O-]c1cc(F)c(-c2cnc3ncccc3c2)c(F)c1 ZINC001241120776 821576986 /nfs/dbraw/zinc/57/69/86/821576986.db2.gz KRWGAYNICCGGBW-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOc1cc(C)c(-c2c(F)cc([O-])cc2F)cn1 ZINC001241121006 821577114 /nfs/dbraw/zinc/57/71/14/821577114.db2.gz XXAUTBMMOXTKDE-UHFFFAOYSA-N -1 1 265.259 3.440 20 0 CGADMM [O-]c1cc(F)c(-c2cncc3cccnc32)c(F)c1 ZINC001241120768 821577158 /nfs/dbraw/zinc/57/71/58/821577158.db2.gz KDGKLPWFOWQUCZ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CC(=O)Nc1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241120946 821577262 /nfs/dbraw/zinc/57/72/62/821577262.db2.gz UQHFMKSSAFRFQR-UHFFFAOYSA-N -1 1 263.243 3.296 20 0 CGADMM COc1nccc(C)c1-c1c(F)cc([O-])cc1F ZINC001241120900 821577587 /nfs/dbraw/zinc/57/75/87/821577587.db2.gz RBQFSFQFZZMJEJ-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CCc1c(F)cncc1-c1c(F)cc([O-])cc1F ZINC001241120753 821577612 /nfs/dbraw/zinc/57/76/12/821577612.db2.gz JMWBAMNWRKYEEE-UHFFFAOYSA-N -1 1 253.223 3.434 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)CCOC3)c(F)c1 ZINC001241122046 821578888 /nfs/dbraw/zinc/57/88/88/821578888.db2.gz KAYPTWNHVAUDQJ-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM O=C([O-])c1ccc(-c2ccc3nc[nH]c3c2)cc1F ZINC001241184942 821621397 /nfs/dbraw/zinc/62/13/97/821621397.db2.gz JGORONRLGZBGNR-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM Cc1nc2ncc(-c3c(F)ccc([O-])c3F)nc2s1 ZINC001241289030 821706457 /nfs/dbraw/zinc/70/64/57/821706457.db2.gz HQBLEIBODPJIQO-UHFFFAOYSA-N -1 1 279.271 3.046 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc(-c3ccco3)cn2)c1F ZINC001241290684 821707855 /nfs/dbraw/zinc/70/78/55/821707855.db2.gz AMQRPHXIIGWKCO-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CC(C)c1cncnc1-c1c(F)ccc([O-])c1F ZINC001241291485 821707921 /nfs/dbraw/zinc/70/79/21/821707921.db2.gz MQYYIAQXKNCOFP-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM COc1nc2ccccc2nc1-c1c(F)ccc([O-])c1F ZINC001241290690 821708019 /nfs/dbraw/zinc/70/80/19/821708019.db2.gz AZORIERMRPNTOT-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM [O-]c1ccc(F)c(-c2cc3ccccc3nn2)c1F ZINC001241291948 821709346 /nfs/dbraw/zinc/70/93/46/821709346.db2.gz ZNGXKJGFKIOWBL-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc3cc(F)ccc3n2)c1F ZINC001241291647 821709819 /nfs/dbraw/zinc/70/98/19/821709819.db2.gz PBJFHHJVDIKFTF-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM CC(C)OC(=O)c1cccnc1-c1c(F)ccc([O-])c1F ZINC001241291773 821709956 /nfs/dbraw/zinc/70/99/56/821709956.db2.gz WOVOTYWCZRRMBF-UHFFFAOYSA-N -1 1 293.269 3.298 20 0 CGADMM Cc1ccnnc1-c1cc(C(F)(F)F)ccc1[O-] ZINC001242131291 822888622 /nfs/dbraw/zinc/88/86/22/822888622.db2.gz GSIGTMXXIBAVCP-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM CCn1cccc(-c2ccc([O-])c(C(F)(F)F)c2)c1=O ZINC001242162791 822900172 /nfs/dbraw/zinc/90/01/72/822900172.db2.gz SHHSXYQADSGNLM-UHFFFAOYSA-N -1 1 283.249 3.260 20 0 CGADMM CC(C)S(=O)(=O)c1ccccc1-c1ccc(F)cc1[O-] ZINC001242217446 822914465 /nfs/dbraw/zinc/91/44/65/822914465.db2.gz BPAAYTQBPWNNJM-UHFFFAOYSA-N -1 1 294.347 3.380 20 0 CGADMM Cc1ncc(-c2ccc(F)cc2[O-])c(C(F)(F)F)n1 ZINC001242221012 822917032 /nfs/dbraw/zinc/91/70/32/822917032.db2.gz HOMPUYYZUITELA-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM COC(=O)c1ccc2nc(-c3cccc(C)c3[O-])ncc2c1 ZINC001242344264 822957237 /nfs/dbraw/zinc/95/72/37/822957237.db2.gz SIIHMGIBSBPSKA-UHFFFAOYSA-N -1 1 294.310 3.097 20 0 CGADMM Cc1cccc(-c2nc3[nH]cnc3c(C(F)(F)F)n2)c1[O-] ZINC001242345116 822957937 /nfs/dbraw/zinc/95/79/37/822957937.db2.gz GRFPEVCEZBNLFE-UHFFFAOYSA-N -1 1 294.236 3.004 20 0 CGADMM CC(=O)Nc1ccc(F)c(-c2cccc(F)c2[O-])c1 ZINC001242352028 822962211 /nfs/dbraw/zinc/96/22/11/822962211.db2.gz IGVSGXANYVMDME-UHFFFAOYSA-N -1 1 263.243 3.296 20 0 CGADMM CCOC(=O)c1ccc(OC)cc1-c1cccc(F)c1[O-] ZINC001242352843 822962399 /nfs/dbraw/zinc/96/23/99/822962399.db2.gz RNDPEWOVFAIHQD-UHFFFAOYSA-N -1 1 290.290 3.384 20 0 CGADMM COC(=O)c1ncc(-c2cccc(Cl)c2[O-])cc1C ZINC001242364539 822968371 /nfs/dbraw/zinc/96/83/71/822968371.db2.gz MSGCVOMQCFZREB-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM [O-]c1c(Cl)cccc1-c1cnc(N2CCCCC2)nc1 ZINC001242367061 822969833 /nfs/dbraw/zinc/96/98/33/822969833.db2.gz VWLOZPBYQFVDCZ-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM CN(C)Cc1cccc(-c2cccc(C(=O)[O-])c2F)c1F ZINC001242382596 822975713 /nfs/dbraw/zinc/97/57/13/822975713.db2.gz ZERDJFYBIFCLKN-UHFFFAOYSA-N -1 1 291.297 3.392 20 0 CGADMM O=C(C[C@@H]1C=CCC1)Nc1ccc(Br)c([O-])c1 ZINC001343489315 936503607 /nfs/dbraw/zinc/50/36/07/936503607.db2.gz GJOXPZFTQXUDHU-SECBINFHSA-N -1 1 296.164 3.450 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cc(C3CC3)nn2C)c([O-])c1 ZINC001347871091 936900217 /nfs/dbraw/zinc/90/02/17/936900217.db2.gz JSJBHQVCCGDPGB-UHFFFAOYSA-N -1 1 299.374 3.379 20 0 CGADMM CCCC[C@@H](CC)CNC(=O)c1cc(F)ccc1[O-] ZINC000232987613 928208432 /nfs/dbraw/zinc/20/84/32/928208432.db2.gz VVOBLHIOIAKHKL-LLVKDONJSA-N -1 1 267.344 3.478 20 0 CGADMM CCSc1ccc(Cl)cc1C(=O)Nc1c[n-][nH]c1=O ZINC001364090294 937232547 /nfs/dbraw/zinc/23/25/47/937232547.db2.gz FZFIEZCDFPVQGI-UHFFFAOYSA-N -1 1 297.767 3.133 20 0 CGADMM CCCC[C@H](CCC)CNC(=O)c1ncc(C)cc1[O-] ZINC001465837084 928800449 /nfs/dbraw/zinc/80/04/49/928800449.db2.gz ADLHRCORDGKNAF-ZDUSSCGKSA-N -1 1 278.396 3.432 20 0 CGADMM CCN(C(=O)c1ccc(F)c([O-])c1)c1cccc(OC)c1 ZINC001441087093 937336593 /nfs/dbraw/zinc/33/65/93/937336593.db2.gz QTLOTCNSPYYUKX-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM CCc1ccc(CNC(=O)c2ccc(F)c([O-])c2)s1 ZINC001441334425 937338005 /nfs/dbraw/zinc/33/80/05/937338005.db2.gz GHZGEXALPHOHTB-UHFFFAOYSA-N -1 1 279.336 3.085 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ncccc2C)c1 ZINC001441459269 937338311 /nfs/dbraw/zinc/33/83/11/937338311.db2.gz FHZLGHOXXGOOON-UHFFFAOYSA-N -1 1 274.345 3.070 20 0 CGADMM CCn1ncc2ccc(NC(=O)c3cccc([O-])c3F)cc21 ZINC001442692442 937343404 /nfs/dbraw/zinc/34/34/04/937343404.db2.gz GIDZLDBMJVEWHD-UHFFFAOYSA-N -1 1 299.305 3.153 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1conc1C1CC1 ZINC001545951483 937344055 /nfs/dbraw/zinc/34/40/55/937344055.db2.gz VILNIIVKKKITAP-UHFFFAOYSA-N -1 1 278.695 3.163 20 0 CGADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccn1 ZINC001545951487 937344137 /nfs/dbraw/zinc/34/41/37/937344137.db2.gz VQFAFCZXVVBGNB-SECBINFHSA-N -1 1 276.723 3.183 20 0 CGADMM Cc1cccc([C@H](C)CNC(=O)c2ccc(F)c([O-])c2)c1 ZINC001444517339 937352539 /nfs/dbraw/zinc/35/25/39/937352539.db2.gz RJMLKPPJUOCXTB-GFCCVEGCSA-N -1 1 287.334 3.373 20 0 CGADMM COc1ccc(C(=O)Nc2ccc3occc3c2)c([O-])c1 ZINC001454738024 937411842 /nfs/dbraw/zinc/41/18/42/937411842.db2.gz RCPRJUOMZCMQQP-UHFFFAOYSA-N -1 1 283.283 3.399 20 0 CGADMM O=Cc1cc(C(=O)Nc2cccc(F)c2[O-])c(Cl)s1 ZINC001454777390 937412045 /nfs/dbraw/zinc/41/20/45/937412045.db2.gz YPOUWPMKOKZEST-UHFFFAOYSA-N -1 1 299.710 3.311 20 0 CGADMM Cc1cc(F)ccc1[C@@H](C)NC(=O)c1cccc([O-])c1F ZINC001455539955 937418785 /nfs/dbraw/zinc/41/87/85/937418785.db2.gz ZLSBYUNKARFJSV-SNVBAGLBSA-N -1 1 291.297 3.470 20 0 CGADMM CCC[C@H](C(=O)[N-]Oc1ccccc1F)C(C)C ZINC001455482227 937418912 /nfs/dbraw/zinc/41/89/12/937418912.db2.gz PFNXJWZVZQAQGB-NSHDSACASA-N -1 1 253.317 3.308 20 0 CGADMM Nc1cc(F)ccc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001456619371 937433157 /nfs/dbraw/zinc/43/31/57/937433157.db2.gz QNVARLGHTRBPDF-UHFFFAOYSA-N -1 1 298.676 3.158 20 0 CGADMM CC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])C(F)(F)F ZINC001457423843 937442491 /nfs/dbraw/zinc/44/24/91/937442491.db2.gz VUWLALUTGCINMD-SECBINFHSA-N -1 1 281.661 3.116 20 0 CGADMM CC(C)Cc1ccc([C@H](C)C(=O)Nc2c[n-][nH]c2=O)cc1 ZINC001457821183 937446631 /nfs/dbraw/zinc/44/66/31/937446631.db2.gz IKKVNWRZYIAJRT-NSHDSACASA-N -1 1 287.363 3.056 20 0 CGADMM C[C@H](COC(C)(C)C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229129023 932101599 /nfs/dbraw/zinc/10/15/99/932101599.db2.gz HFZKZUNCOOUEID-SNVBAGLBSA-N -1 1 292.331 3.081 20 0 CGADMM COc1cc2ccc(=O)oc2c(O[C@H]2CCC[C@@H]2C)c1[O-] ZINC001229219883 932117988 /nfs/dbraw/zinc/11/79/88/932117988.db2.gz XVHIAIOKNQFEFF-ONGXEEELSA-N -1 1 290.315 3.075 20 0 CGADMM CCC(=O)c1ccc([O-])cc1OC[C@H]1Cc2ccccc2O1 ZINC001229474813 932157489 /nfs/dbraw/zinc/15/74/89/932157489.db2.gz KINTTYHENLCPNQ-CQSZACIVSA-N -1 1 298.338 3.367 20 0 CGADMM C[C@H](CSC(F)(F)F)C(=O)Nc1ccc(F)cc1[O-] ZINC001306783862 932886323 /nfs/dbraw/zinc/88/63/23/932886323.db2.gz RTCKFGMUXKOYSH-ZCFIWIBFSA-N -1 1 297.273 3.359 20 0 CGADMM O=C(NCCc1ccc(Cl)s1)c1cccc([O-])c1F ZINC001464253448 937687963 /nfs/dbraw/zinc/68/79/63/937687963.db2.gz CUKWHLSESNGUNZ-UHFFFAOYSA-N -1 1 299.754 3.219 20 0 CGADMM Cc1ccccc1[C@@H](NC(=O)c1ncccc1[O-])C(C)C ZINC001465026944 937697466 /nfs/dbraw/zinc/69/74/66/937697466.db2.gz ZHVAKHFMIFINGB-HNNXBMFYSA-N -1 1 284.359 3.223 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCS[C@H]2CCCC[C@H]21 ZINC001465593306 937702078 /nfs/dbraw/zinc/70/20/78/937702078.db2.gz LUINGPXNZMPMRL-OCCSQVGLSA-N -1 1 295.379 3.032 20 0 CGADMM O=C(NOC1CCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001466410404 937708655 /nfs/dbraw/zinc/70/86/55/937708655.db2.gz FMGUYIBRLNIDOL-UHFFFAOYSA-N -1 1 289.253 3.015 20 0 CGADMM C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccsc1 ZINC001467500888 937718738 /nfs/dbraw/zinc/71/87/38/937718738.db2.gz MLRQHAJQARKORT-SNVBAGLBSA-N -1 1 298.367 3.493 20 0 CGADMM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc([O-])cn2)C1 ZINC001467869008 937722995 /nfs/dbraw/zinc/72/29/95/937722995.db2.gz HNMJTAZNAUMCCY-MLGOLLRUSA-N -1 1 282.343 3.011 20 0 CGADMM CC(C)c1coc([N-]C(=O)c2ocnc2C(F)(F)F)n1 ZINC001468218941 937725759 /nfs/dbraw/zinc/72/57/59/937725759.db2.gz JCARFJSNTLORMH-UHFFFAOYSA-N -1 1 289.213 3.057 20 0 CGADMM O=C(c1cccc([O-])c1F)N1Cc2ccc(Cl)cc2C1 ZINC001468868665 937732300 /nfs/dbraw/zinc/73/23/00/937732300.db2.gz GJNDGSYLRHLNPN-UHFFFAOYSA-N -1 1 291.709 3.341 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@H]2CCCC2(C)C)c1 ZINC001468347976 937727195 /nfs/dbraw/zinc/72/71/95/937727195.db2.gz OLTDRWBAZHPJQX-ZDUSSCGKSA-N -1 1 289.375 3.069 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@]1(F)c1ccccc1 ZINC001469928823 937745617 /nfs/dbraw/zinc/74/56/17/937745617.db2.gz MQIPSXLSHQDMBJ-BZNIZROVSA-N -1 1 289.281 3.355 20 0 CGADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001322515008 934310728 /nfs/dbraw/zinc/31/07/28/934310728.db2.gz YWRHLJXFTKHADH-NXEZZACHSA-N -1 1 298.180 3.385 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C1(Cc2ccccc2)CC1 ZINC001471166351 937762018 /nfs/dbraw/zinc/76/20/18/937762018.db2.gz FTVFWOMKTMSWFH-UHFFFAOYSA-N -1 1 285.318 3.493 20 0 CGADMM CCc1nc(C)c(C(=O)Nc2cc(F)c([O-])cc2Cl)o1 ZINC001472193207 937773619 /nfs/dbraw/zinc/77/36/19/937773619.db2.gz QEEKHGAQZXMQBV-UHFFFAOYSA-N -1 1 298.701 3.296 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1Cc1ccccc1)c1ccc(F)c([O-])c1 ZINC001472374155 937775826 /nfs/dbraw/zinc/77/58/26/937775826.db2.gz MOMQDYZMFPVKDZ-CABCVRRESA-N -1 1 299.345 3.140 20 0 CGADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)C(F)(F)F ZINC001472459353 937776568 /nfs/dbraw/zinc/77/65/68/937776568.db2.gz CHEJRCZCAFGMGF-MRVPVSSYSA-N -1 1 281.661 3.116 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccc[nH]c1=S ZINC001472625245 937779016 /nfs/dbraw/zinc/77/90/16/937779016.db2.gz IIEXWLHFANETLP-UHFFFAOYSA-N -1 1 298.726 3.121 20 0 CGADMM O=C(CC1CCC1)Nc1cccc([O-])c1Br ZINC001332101362 935439964 /nfs/dbraw/zinc/43/99/64/935439964.db2.gz AGOBOEZTXNEMPB-UHFFFAOYSA-N -1 1 284.153 3.283 20 0 CGADMM O=C([O-])c1cc(CN2CCCC3(C2)CCCCCC3)[nH]n1 ZINC001332439128 935469040 /nfs/dbraw/zinc/46/90/40/935469040.db2.gz WFQVUGBFBIUKCT-UHFFFAOYSA-N -1 1 291.395 3.044 20 0 CGADMM CCOc1cc(C(=O)N[C@@H](C)C2(C)CC2)cc(Cl)c1[O-] ZINC001337464679 936260848 /nfs/dbraw/zinc/26/08/48/936260848.db2.gz JKNQRZKTQYAGKK-VIFPVBQESA-N -1 1 297.782 3.363 20 0 CGADMM COc1cc(NCc2ccc([O-])c(F)c2F)ccc1F ZINC001474446586 937860341 /nfs/dbraw/zinc/86/03/41/937860341.db2.gz CECMNMNCXSFGIC-UHFFFAOYSA-N -1 1 283.249 3.430 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cnc(F)c(F)c1 ZINC001477208785 937893231 /nfs/dbraw/zinc/89/32/31/937893231.db2.gz XCQKPBDDVBTUCQ-UHFFFAOYSA-N -1 1 299.664 3.363 20 0 CGADMM O=C(NC[C@@H]1C[C@@H]1Cc1ccccc1)c1ccc([O-])cc1F ZINC001520984422 938029095 /nfs/dbraw/zinc/02/90/95/938029095.db2.gz PUSYQTHCTIJRQM-KBPBESRZSA-N -1 1 299.345 3.140 20 0 CGADMM Cc1nocc1[N-]C(=O)c1c(C)onc1-c1cccs1 ZINC001527078332 938060211 /nfs/dbraw/zinc/06/02/11/938060211.db2.gz XOYBBSGSVGALBF-UHFFFAOYSA-N -1 1 289.316 3.260 20 0 CGADMM CSc1c(F)cccc1[N-]C(=O)c1nocc1C ZINC001528395699 938067164 /nfs/dbraw/zinc/06/71/64/938067164.db2.gz LWAJWFMUGAXMJO-UHFFFAOYSA-N -1 1 266.297 3.096 20 0 CGADMM C[C@@H]([N-]C(=O)C(F)F)c1cc(Cl)ccc1OC(F)F ZINC001537382684 938109829 /nfs/dbraw/zinc/10/98/29/938109829.db2.gz GCQLYVZWGKJSOO-RXMQYKEDSA-N -1 1 299.651 3.384 20 0 CGADMM O=C(c1cccc([O-])c1F)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001538542055 938118736 /nfs/dbraw/zinc/11/87/36/938118736.db2.gz MXOPIHLWZMKQOM-NWDGAFQWSA-N -1 1 277.339 3.184 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001538540772 938118806 /nfs/dbraw/zinc/11/88/06/938118806.db2.gz DTLKCPNJYSFGQB-AAEUAGOBSA-N -1 1 277.339 3.184 20 0 CGADMM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cc(F)ccc1[O-] ZINC001543448379 938139661 /nfs/dbraw/zinc/13/96/61/938139661.db2.gz OTJOFIDQKDPABN-INIZCTEOSA-N -1 1 299.345 3.282 20 0 CGADMM O=C(Nc1cccc(OC(F)F)c1)c1ccc([O-])cc1F ZINC001544194100 938143908 /nfs/dbraw/zinc/14/39/08/938143908.db2.gz VPIHFXAGHRBKMH-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM Cc1cccc2ccnc(N[C@@H]3C[C@@H]4C[C@@H](C(=O)[O-])C[C@@H]34)c12 ZINC001551457057 938181962 /nfs/dbraw/zinc/18/19/62/938181962.db2.gz YYSVIJGFXPJLJG-GBJTYRQASA-N -1 1 296.370 3.454 20 0 CGADMM Cc1c(F)cccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001556592556 938204513 /nfs/dbraw/zinc/20/45/13/938204513.db2.gz SIDJZLLQACDGTB-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1cccc([O-])c1F ZINC001556847633 938206104 /nfs/dbraw/zinc/20/61/04/938206104.db2.gz MUJPGBIOXYNADN-NWDGAFQWSA-N -1 1 295.354 3.361 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@@H]1c1ccc(F)cc1 ZINC001557412859 938209774 /nfs/dbraw/zinc/20/97/74/938209774.db2.gz VYQYMCYHTSBVRM-CQSZACIVSA-N -1 1 289.281 3.258 20 0 CGADMM C[C@H](CC(=O)Nc1cccc(F)c1[O-])c1ccncc1 ZINC001557957065 938212637 /nfs/dbraw/zinc/21/26/37/938212637.db2.gz PYNWIMFGSNHRRW-SNVBAGLBSA-N -1 1 274.295 3.059 20 0 CGADMM O=C(N[C@H]1CCCc2ccccc2C1)c1cccc([O-])c1F ZINC001558648506 938216795 /nfs/dbraw/zinc/21/67/95/938216795.db2.gz UKPVRWZMWOLGNS-AWEZNQCLSA-N -1 1 299.345 3.209 20 0 CGADMM CCc1ccc2c(c1)CCN(C(=O)c1cccc([O-])c1F)C2 ZINC001558846967 938218127 /nfs/dbraw/zinc/21/81/27/938218127.db2.gz PBLRJGVYNYWEBN-UHFFFAOYSA-N -1 1 299.345 3.292 20 0 CGADMM Cc1ccccc1-c1ccccc1C(=O)Nc1c[n-][nH]c1=O ZINC001558988070 938218771 /nfs/dbraw/zinc/21/87/71/938218771.db2.gz AXCCAPUBPKYZJR-UHFFFAOYSA-N -1 1 293.326 3.343 20 0 CGADMM COc1ccc(F)cc1CNCc1ccc([O-])c(F)c1F ZINC001560779672 938275333 /nfs/dbraw/zinc/27/53/33/938275333.db2.gz UUWGSFSLCWDEGQ-UHFFFAOYSA-N -1 1 297.276 3.108 20 0 CGADMM CC1(C)CN(Cc2cccc(C(=O)[O-])c2Cl)CCS1 ZINC000381593236 971765541 /nfs/dbraw/zinc/76/55/41/971765541.db2.gz DWPNFMVFEOCZFE-UHFFFAOYSA-N -1 1 299.823 3.366 20 0 CGADMM Cc1ccc(C)c(CN(CC(=O)[O-])Cc2ccccc2)c1 ZINC000076765511 957750864 /nfs/dbraw/zinc/75/08/64/957750864.db2.gz MEOXGPCGKVFLBL-UHFFFAOYSA-N -1 1 283.371 3.390 20 0 CGADMM Cc1oc(CN[C@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000235185850 960394679 /nfs/dbraw/zinc/39/46/79/960394679.db2.gz LWKDDOTWZODNDV-SECBINFHSA-N -1 1 277.295 3.276 20 0 CGADMM C[C@H]1CCC[C@H]1CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001564637946 960664849 /nfs/dbraw/zinc/66/48/49/960664849.db2.gz OGEDPDBZQLYEBD-JQWIXIFHSA-N -1 1 296.798 3.281 20 0 CGADMM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(F)c([O-])c1 ZINC001565812963 960834409 /nfs/dbraw/zinc/83/44/09/960834409.db2.gz JHRQRLKAEPAUJA-AWEZNQCLSA-N -1 1 288.322 3.150 20 0 CGADMM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cccc([O-])c1F ZINC001566146759 960888379 /nfs/dbraw/zinc/88/83/79/960888379.db2.gz DWQPINCGLZVNFS-STQMWFEESA-N -1 1 277.339 3.230 20 0 CGADMM Cc1ccc(F)c(N)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001566588902 960963053 /nfs/dbraw/zinc/96/30/53/960963053.db2.gz HQEQPXRILOZREW-UHFFFAOYSA-N -1 1 294.713 3.328 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](C)c2ccsc2)c1 ZINC001568138990 961506759 /nfs/dbraw/zinc/50/67/59/961506759.db2.gz VTUHRVGTCBYADN-JTQLQIEISA-N -1 1 289.356 3.066 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C(F)(F)c1ccccc1 ZINC001569010677 961666940 /nfs/dbraw/zinc/66/69/40/961666940.db2.gz JEVLKMWXJRMMOX-UHFFFAOYSA-N -1 1 299.223 3.401 20 0 CGADMM CC(C)c1scnc1NC(=O)c1ccc(F)c([O-])c1 ZINC001569881193 961855735 /nfs/dbraw/zinc/85/57/35/961855735.db2.gz AVMSYUUOQFGDKB-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc([O-])cn2)C1(C)C ZINC001570270678 961946410 /nfs/dbraw/zinc/94/64/10/961946410.db2.gz SYPZCNSKROODPL-LBPRGKRZSA-N -1 1 290.407 3.464 20 0 CGADMM CCCC(C)(C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001570465628 961974393 /nfs/dbraw/zinc/97/43/93/961974393.db2.gz IFPJGLUSTUJZJV-UHFFFAOYSA-N -1 1 257.280 3.435 20 0 CGADMM CCn1ncc(C)c1NC(=O)c1cc2ccccc2cc1[O-] ZINC001583982530 962880826 /nfs/dbraw/zinc/88/08/26/962880826.db2.gz ZJVVGXZPEYMOEM-UHFFFAOYSA-N -1 1 295.342 3.323 20 0 CGADMM CCc1nocc1C(=O)[N-]c1cccc(F)c1SC ZINC001586052171 963065034 /nfs/dbraw/zinc/06/50/34/963065034.db2.gz MKYPPGPZAWUQCG-UHFFFAOYSA-N -1 1 280.324 3.350 20 0 CGADMM Cc1ccc(C[C@H](C)NC(=O)c2cccc([O-])c2F)s1 ZINC001586444722 963104702 /nfs/dbraw/zinc/10/47/02/963104702.db2.gz MFKQGCRQEXIDHL-VIFPVBQESA-N -1 1 293.363 3.262 20 0 CGADMM CCCCCC(C)(C)CNC(=O)c1ccc([O-])cn1 ZINC001587945999 963234663 /nfs/dbraw/zinc/23/46/63/963234663.db2.gz ZEXHNDPRVFYNDE-UHFFFAOYSA-N -1 1 264.369 3.124 20 0 CGADMM C/C(=C/C(=O)[O-])CN1CC[C@H]1c1ccc(Cl)cc1 ZINC001588949402 963330148 /nfs/dbraw/zinc/33/01/48/963330148.db2.gz QYEYAAHXUGKDII-KJJQSCHISA-N -1 1 265.740 3.118 20 0 CGADMM CN(Cc1cccc(C(=O)[O-])c1)Cc1ccccc1F ZINC000048874053 967531136 /nfs/dbraw/zinc/53/11/36/967531136.db2.gz XSPYHRNXDMJDJF-UHFFFAOYSA-N -1 1 273.307 3.156 20 0 CGADMM O=C([O-])C[C@H]1CCCN(Cc2cccc(F)c2Cl)C1 ZINC000166457841 967673154 /nfs/dbraw/zinc/67/31/54/967673154.db2.gz SQAKKQDBNZCUKP-SNVBAGLBSA-N -1 1 285.746 3.166 20 0 CGADMM CC(C)c1[nH]c(CN2CCC(CCF)CC2)cc1C(=O)[O-] ZINC001591913121 976354396 /nfs/dbraw/zinc/35/43/96/976354396.db2.gz XWQBFNGARITAHO-UHFFFAOYSA-N -1 1 296.386 3.408 20 0 CGADMM CC(F)(F)CCN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001592939651 980008777 /nfs/dbraw/zinc/00/87/77/980008777.db2.gz KUJZHYZLJNYUNL-SNVBAGLBSA-N -1 1 295.688 3.240 20 0 CGADMM CC/C=C\CN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001595520801 981337433 /nfs/dbraw/zinc/33/74/33/981337433.db2.gz KFZXAJGKQQTVDQ-VSQXVHSFSA-N -1 1 271.719 3.161 20 0 CGADMM CCN(Cc1cccs1)Cc1cc(C(=O)[O-])c(C)n1C ZINC001596375069 983882853 /nfs/dbraw/zinc/88/28/53/983882853.db2.gz FDYHAQYZHTZCTE-UHFFFAOYSA-N -1 1 292.404 3.115 20 0 CGADMM CCOC1CC(N(C)Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC001596811521 985363986 /nfs/dbraw/zinc/36/39/86/985363986.db2.gz VPUDVJISKBUPPB-UHFFFAOYSA-N -1 1 297.782 3.038 20 0 CGADMM Cc1[nH]c(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC001599961419 985788621 /nfs/dbraw/zinc/78/86/21/985788621.db2.gz FQDZIEMOTIHUFR-SGIREYDYSA-N -1 1 290.407 3.422 20 0 CGADMM CC[C@H](NCc1cc(C(=O)[O-])c(C)[nH]1)c1ccccc1F ZINC001597349688 987486960 /nfs/dbraw/zinc/48/69/60/987486960.db2.gz RIHCTEDKJWIDJI-HNNXBMFYSA-N -1 1 290.338 3.401 20 0 CGADMM CCc1oc(CN2CCC[C@]3(CC3(F)F)C2)cc1C(=O)[O-] ZINC001597799181 989379888 /nfs/dbraw/zinc/37/98/88/989379888.db2.gz OBPFBKLSDATGHU-AWEZNQCLSA-N -1 1 299.317 3.161 20 0 CGADMM CCc1oc(CN2CCc3c(C)cccc3C2)cc1C(=O)[O-] ZINC001597800207 989391676 /nfs/dbraw/zinc/39/16/76/989391676.db2.gz YVHIPJHWZZNWQM-UHFFFAOYSA-N -1 1 299.370 3.407 20 0 CGADMM CC(C)=CCN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001590924428 990921982 /nfs/dbraw/zinc/92/19/82/990921982.db2.gz ISBYGEJELXCISP-LBPRGKRZSA-N -1 1 271.719 3.161 20 0 CGADMM CN(Cc1cc(C(=O)[O-])co1)Cc1ccc2cc[nH]c2c1 ZINC001598524885 992706470 /nfs/dbraw/zinc/70/64/70/992706470.db2.gz YBMJNCGSOIIPKC-UHFFFAOYSA-N -1 1 284.315 3.091 20 0 CGADMM C[C@@H](N[C@H](c1ccncc1)C1CC1)c1cc(C(=O)[O-])co1 ZINC001593210890 994256669 /nfs/dbraw/zinc/25/66/69/994256669.db2.gz TZBNKACONMNXPA-BMIGLBTASA-N -1 1 286.331 3.175 20 0 CGADMM C[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1cccs1 ZINC001593299015 994719992 /nfs/dbraw/zinc/71/99/92/994719992.db2.gz PHHBVPLQAHOFGH-MRVPVSSYSA-N -1 1 296.779 3.346 20 0 CGADMM C[C@@H](NCc1cccc(Cl)c1)c1cncc(C(=O)[O-])c1 ZINC001593305458 994764383 /nfs/dbraw/zinc/76/43/83/994764383.db2.gz ZZGHSHLFGPLKJR-SNVBAGLBSA-N -1 1 290.750 3.284 20 0 CGADMM COc1cccc(CN[C@@H](C)c2cc(C(=O)[O-])co2)c1C ZINC001599672962 994846805 /nfs/dbraw/zinc/84/68/05/994846805.db2.gz CBYDYKRLAHQJML-NSHDSACASA-N -1 1 289.331 3.146 20 0 CGADMM CO[C@@H](C)c1nc(=NCCCCC(C)(C)C)s[n-]1 ZINC000337918780 214312387 /nfs/dbraw/zinc/31/23/87/214312387.db2.gz VUQNTHLDVYXMFF-JTQLQIEISA-N -1 1 271.430 3.296 20 0 CGADMM COCC1(C(=O)Nc2ccc([O-])c(F)c2F)CCCCC1 ZINC000622095469 349628537 /nfs/dbraw/zinc/62/85/37/349628537.db2.gz QADINEPENFZWRG-UHFFFAOYSA-N -1 1 299.317 3.206 20 0 CGADMM C[C@@H](NC(=O)c1ncccc1[O-])c1cc2ccccc2o1 ZINC000338026198 214367862 /nfs/dbraw/zinc/36/78/62/214367862.db2.gz UKBDDJCGOZCZAW-SNVBAGLBSA-N -1 1 282.299 3.024 20 0 CGADMM CC[C@@H](C)c1ncc(NC(=O)c2ccc([O-])cc2F)cn1 ZINC000436917162 529434728 /nfs/dbraw/zinc/43/47/28/529434728.db2.gz AKSIECCVNOONCC-SECBINFHSA-N -1 1 289.310 3.087 20 0 CGADMM CC[C@H](N=c1[n-]c(C(C)=O)c(C)s1)c1c(C)noc1C ZINC000450410006 529455486 /nfs/dbraw/zinc/45/54/86/529455486.db2.gz YKVFXEJJJBIRHL-NSHDSACASA-N -1 1 293.392 3.244 20 0 CGADMM Cc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cn1 ZINC000622451798 349679873 /nfs/dbraw/zinc/67/98/73/349679873.db2.gz SFPOBHKWEPKNTL-UHFFFAOYSA-N -1 1 270.332 3.471 20 0 CGADMM CCn1c2ccccc2nc1NC(=O)c1ccccc1[O-] ZINC000010651402 344876864 /nfs/dbraw/zinc/87/68/64/344876864.db2.gz NGIDTIMOXBKRQW-UHFFFAOYSA-N -1 1 281.315 3.014 20 0 CGADMM CC[C@@H](C)N(CC)C(=O)c1cc(Cl)ccc1[O-] ZINC000037113683 344947243 /nfs/dbraw/zinc/94/72/43/344947243.db2.gz CUKIUNIARUTCEI-SECBINFHSA-N -1 1 255.745 3.306 20 0 CGADMM O=C([O-])C[C@H]1CCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000086757001 345750479 /nfs/dbraw/zinc/75/04/79/345750479.db2.gz MPIJVBVIMFYYTH-SNVBAGLBSA-N -1 1 285.746 3.166 20 0 CGADMM CC(C)c1nsc([N-]c2cnn(C(C)(C)C)c2)n1 ZINC000092624386 345848061 /nfs/dbraw/zinc/84/80/61/345848061.db2.gz DCYINCPIOYLKMZ-UHFFFAOYSA-N -1 1 265.386 3.357 20 0 CGADMM CC1(C)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000094167487 345897788 /nfs/dbraw/zinc/89/77/88/345897788.db2.gz RSUGHQRTEHOYJC-UHFFFAOYSA-N -1 1 255.317 3.170 20 0 CGADMM COc1ccc(Cl)c(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000221502021 346297514 /nfs/dbraw/zinc/29/75/14/346297514.db2.gz NPLNFMXBLQOEGX-UHFFFAOYSA-N -1 1 293.706 3.012 20 0 CGADMM Cc1ccc(CN2CCSC[C@H]2CC(=O)[O-])c(Cl)c1 ZINC000235884808 346338799 /nfs/dbraw/zinc/33/87/99/346338799.db2.gz KLQLBUNBPNGDJF-GFCCVEGCSA-N -1 1 299.823 3.041 20 0 CGADMM CC1(C)CN(C(=O)c2ccc(Cl)cc2[O-])C(C)(C)CO1 ZINC000604239112 348112045 /nfs/dbraw/zinc/11/20/45/348112045.db2.gz JXKSJCNWZPKHKT-UHFFFAOYSA-N -1 1 297.782 3.075 20 0 CGADMM CC(C)c1nc(=N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)o[n-]1 ZINC000605690156 348166501 /nfs/dbraw/zinc/16/65/01/348166501.db2.gz AKVKQNYPYOKOFM-RWMBFGLXSA-N -1 1 263.385 3.386 20 0 CGADMM C[C@H](Cc1ccccc1F)C(=O)Nc1c([O-])cccc1F ZINC000608366137 348301233 /nfs/dbraw/zinc/30/12/33/348301233.db2.gz FDDDPSISKSMTST-SNVBAGLBSA-N -1 1 291.297 3.488 20 0 CGADMM C[C@@H](CC(=O)Nc1c([O-])cccc1F)c1cccnc1 ZINC000608366927 348301650 /nfs/dbraw/zinc/30/16/50/348301650.db2.gz BVXXQJSHAJBLEX-JTQLQIEISA-N -1 1 274.295 3.059 20 0 CGADMM COc1ccc(NC(=O)c2cc3ccccc3cc2[O-])nc1 ZINC000608474067 348311258 /nfs/dbraw/zinc/31/12/58/348311258.db2.gz VMAQXCDXCFSIQW-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM CCC(C)(C)c1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000615222130 348724516 /nfs/dbraw/zinc/72/45/16/348724516.db2.gz QBSAIQRINCBEST-UHFFFAOYSA-N -1 1 287.363 3.364 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000616725070 348874006 /nfs/dbraw/zinc/87/40/06/348874006.db2.gz GSMISOCUYSQSJW-CABZTGNLSA-N -1 1 299.292 3.426 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC(c2ccco2)CC1 ZINC000617383684 348954796 /nfs/dbraw/zinc/95/47/96/348954796.db2.gz LSRZSZPYQPZMNS-UHFFFAOYSA-N -1 1 289.306 3.144 20 0 CGADMM C[C@@]1(CCNC(=O)c2cc(Cl)ccc2[O-])CC1(F)F ZINC000618625036 349128404 /nfs/dbraw/zinc/12/84/04/349128404.db2.gz CVIHWHMTUJRYIA-GFCCVEGCSA-N -1 1 289.709 3.211 20 0 CGADMM CCc1c(C)[n-]n(-c2ccccc2C(F)(F)F)c1=O ZINC000620796620 349424070 /nfs/dbraw/zinc/42/40/70/349424070.db2.gz SXUPEQMGVJISNM-SECBINFHSA-N -1 1 270.254 3.454 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H]2CC[C@@H](C1)S2 ZINC000628656452 350585854 /nfs/dbraw/zinc/58/58/54/350585854.db2.gz ZVPKDYHRXRJPQV-MNOVXSKESA-N -1 1 297.807 3.156 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H]2CCCC[C@H]2C)n1 ZINC000629175921 350663424 /nfs/dbraw/zinc/66/34/24/350663424.db2.gz SIDXCVUINCRRAS-MWLCHTKSSA-N -1 1 252.383 3.415 20 0 CGADMM C/C=C/C[C@@H]1CCCN(Cc2nc(C(=O)[O-])cs2)C1 ZINC000629375535 350683515 /nfs/dbraw/zinc/68/35/15/350683515.db2.gz HYSOINAYBDIGOM-KXMPLOMGSA-N -1 1 280.393 3.020 20 0 CGADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H]1CCCC12CC2 ZINC000629379520 350685128 /nfs/dbraw/zinc/68/51/28/350685128.db2.gz DTKJWRXNBGOOGK-AWEZNQCLSA-N -1 1 297.358 3.097 20 0 CGADMM Cc1ccc(CN[C@@H](C)c2nc(C(=O)[O-])cs2)c(C)c1 ZINC000630465455 350844514 /nfs/dbraw/zinc/84/45/14/350844514.db2.gz UPQWUXUBERCPKY-NSHDSACASA-N -1 1 290.388 3.309 20 0 CGADMM COCC1(CSc2nc(C)c(C3CC3)c(=O)[n-]2)CCC1 ZINC000631023921 350927945 /nfs/dbraw/zinc/92/79/45/350927945.db2.gz ZRVUYYWYWHMBST-UHFFFAOYSA-N -1 1 294.420 3.277 20 0 CGADMM C[C@H](C1CC1)N(C(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000630722999 350878568 /nfs/dbraw/zinc/87/85/68/350878568.db2.gz MRHXDCIOSZUXMD-SNVBAGLBSA-N -1 1 293.794 3.378 20 0 CGADMM C[C@@H]1C[C@@H]1c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000632079142 351166002 /nfs/dbraw/zinc/16/60/02/351166002.db2.gz KHZLUWNFRDJPPJ-APPZFPTMSA-N -1 1 264.712 3.143 20 0 CGADMM CCC1(C[N-]S(=O)(=O)c2ccc(C(F)F)o2)CCC1 ZINC000632084694 351166607 /nfs/dbraw/zinc/16/66/07/351166607.db2.gz OOEGEJJIVNBJPT-UHFFFAOYSA-N -1 1 293.335 3.076 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H](C1CC1)C1CCC1 ZINC000633382454 351289575 /nfs/dbraw/zinc/28/95/75/351289575.db2.gz PCKCAUHGOMYCTE-INIZCTEOSA-N -1 1 293.794 3.283 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC12CCCC2 ZINC000633567541 351323820 /nfs/dbraw/zinc/32/38/20/351323820.db2.gz ZOOQIYKJCCARRN-UHFFFAOYSA-N -1 1 279.767 3.133 20 0 CGADMM CC[C@H](C)N(CC)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633604162 351330417 /nfs/dbraw/zinc/33/04/17/351330417.db2.gz KGIXAMDEMBQJOR-JTQLQIEISA-N -1 1 269.772 3.235 20 0 CGADMM O=c1c2c([n-]n1Cc1ccccc1)CCCCCC2 ZINC000634584188 351524306 /nfs/dbraw/zinc/52/43/06/351524306.db2.gz VIDBMACCFRLGRB-AWEZNQCLSA-N -1 1 256.349 3.355 20 0 CGADMM CCc1c(C(C)C)[n-]n(-c2cccc(OC)c2)c1=O ZINC000634586009 351524795 /nfs/dbraw/zinc/52/47/95/351524795.db2.gz YVBHTOKTHRHCAQ-ZDUSSCGKSA-N -1 1 260.337 3.080 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(OC(F)F)cc2)c1=O ZINC000634602155 351536509 /nfs/dbraw/zinc/53/65/09/351536509.db2.gz ILPGXCHWPBITEI-LLVKDONJSA-N -1 1 268.263 3.037 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3cccc(Cl)c3)c(=O)c2C1 ZINC000634604872 351538781 /nfs/dbraw/zinc/53/87/81/351538781.db2.gz VKZBYZONQLSCQO-GWCFXTLKSA-N -1 1 276.767 3.474 20 0 CGADMM CCCc1c(C)[n-]n(CCc2ccccc2F)c1=O ZINC000634612353 351541960 /nfs/dbraw/zinc/54/19/60/351541960.db2.gz WLSXSGKSWGSDTM-ZDUSSCGKSA-N -1 1 262.328 3.003 20 0 CGADMM CCc1c(C)[n-]n(-c2cc(F)ccc2Br)c1=O ZINC000634616674 351546258 /nfs/dbraw/zinc/54/62/58/351546258.db2.gz UAASJPDALVMAFJ-VIFPVBQESA-N -1 1 299.143 3.337 20 0 CGADMM CC(C)[C@@H]1CCc2[n-]n([C@@H]3CCOC(C)(C)C3)c(=O)c2C1 ZINC000634621295 351548407 /nfs/dbraw/zinc/54/84/07/351548407.db2.gz DSZZWOUOWPKTNA-MGPQQGTHSA-N -1 1 292.423 3.215 20 0 CGADMM O=C([O-])c1csc(CN2CCC[C@H](C3CCC3)CC2)n1 ZINC000634697594 351575904 /nfs/dbraw/zinc/57/59/04/351575904.db2.gz MTYSRCDVDHJKQX-LBPRGKRZSA-N -1 1 294.420 3.244 20 0 CGADMM C[C@@H]1C[C@H](CNC(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000271649001 191258109 /nfs/dbraw/zinc/25/81/09/191258109.db2.gz ZHFLRZSZEFHHDE-CHWSQXEVSA-N -1 1 299.370 3.090 20 0 CGADMM Cc1cc2ccccc2n1CC(=O)Nc1ccc(F)cc1[O-] ZINC000340327938 215540320 /nfs/dbraw/zinc/54/03/20/215540320.db2.gz HFZYWFZHLPYZMY-UHFFFAOYSA-N -1 1 298.317 3.433 20 0 CGADMM COc1cccc(CCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000340331778 215544481 /nfs/dbraw/zinc/54/44/81/215544481.db2.gz BGGRJQNZEHUGQV-UHFFFAOYSA-N -1 1 289.306 3.111 20 0 CGADMM O=C(Nc1ccncc1[O-])c1cc(Cl)sc1Cl ZINC000109890571 138362478 /nfs/dbraw/zinc/36/24/78/138362478.db2.gz MHSCWNDGKJVWOW-UHFFFAOYSA-N -1 1 289.143 3.408 20 0 CGADMM Cc1ccc(C)c(CN[C@H](C(=O)[O-])c2cccs2)c1 ZINC000426786228 236314771 /nfs/dbraw/zinc/31/47/71/236314771.db2.gz ULGWVPMARGSUTG-AWEZNQCLSA-N -1 1 275.373 3.280 20 0 CGADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc3cc[nH]c32)o1 ZINC000426801160 236315324 /nfs/dbraw/zinc/31/53/24/236315324.db2.gz SDSBORJJTNCXKM-AWEZNQCLSA-N -1 1 298.342 3.375 20 0 CGADMM CCn1nccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436521587 237117667 /nfs/dbraw/zinc/11/76/67/237117667.db2.gz FYVSBMQYETZLMM-UHFFFAOYSA-N -1 1 281.315 3.014 20 0 CGADMM CO[C@@H]1CCC[C@@H]1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436603593 237141493 /nfs/dbraw/zinc/14/14/93/237141493.db2.gz MANGIOCEXKMDPY-RHSMWYFYSA-N -1 1 299.370 3.090 20 0 CGADMM O=C(N[C@H]1CCCC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000436601932 237141665 /nfs/dbraw/zinc/14/16/65/237141665.db2.gz IPKJASPCQFMLPE-VIFPVBQESA-N -1 1 289.709 3.353 20 0 CGADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H]1CC1(C)C ZINC000436822836 237184849 /nfs/dbraw/zinc/18/48/49/237184849.db2.gz RAPPXKKHPKRIHH-LLVKDONJSA-N -1 1 287.281 3.282 20 0 CGADMM O=C(Nc1cccc(C(F)F)c1)C(=O)c1ccc([O-])cc1 ZINC000436667985 237159303 /nfs/dbraw/zinc/15/93/03/237159303.db2.gz WBRHFYSVUSQLIS-UHFFFAOYSA-N -1 1 291.253 3.151 20 0 CGADMM Cc1cc(Cl)ccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436732049 237171096 /nfs/dbraw/zinc/17/10/96/237171096.db2.gz BSLUQHDODMYIPB-UHFFFAOYSA-N -1 1 289.718 3.175 20 0 CGADMM O=C(NC(C1CC1)C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436764710 237178031 /nfs/dbraw/zinc/17/80/31/237178031.db2.gz SVMZMCSUKRQYSK-UHFFFAOYSA-N -1 1 299.292 3.329 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C(F)F)c1ccc([O-])cc1F ZINC000436888767 237203389 /nfs/dbraw/zinc/20/33/89/237203389.db2.gz UBPMJVHLGTYFMX-ZDUSSCGKSA-N -1 1 295.260 3.268 20 0 CGADMM Cc1nc(CC(C)C)c(NC(=O)c2cncc([O-])c2)s1 ZINC000178043038 189087358 /nfs/dbraw/zinc/08/73/58/189087358.db2.gz PVSPYTMXQOMFOM-UHFFFAOYSA-N -1 1 291.376 3.003 20 0 CGADMM C/C(=C\C(=O)Nc1ccc([O-])c(Cl)c1)C1CC1 ZINC000182860311 189337209 /nfs/dbraw/zinc/33/72/09/189337209.db2.gz QFGBUPHSBKCSNJ-SOFGYWHQSA-N -1 1 251.713 3.340 20 0 CGADMM Cc1nc(SC[C@@H]2CCCC2(F)F)[n-]c(=O)c1C ZINC000450906682 240147001 /nfs/dbraw/zinc/14/70/01/240147001.db2.gz PWKXYKCPCHQERR-VIFPVBQESA-N -1 1 274.336 3.327 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456288022 241392486 /nfs/dbraw/zinc/39/24/86/241392486.db2.gz TXFPVNLSQQYFHD-ZFWWWQNUSA-N -1 1 291.778 3.306 20 0 CGADMM COC(=O)c1cccc(-c2nc3cccc(C)c3c(=O)[n-]2)c1 ZINC000463222608 242388818 /nfs/dbraw/zinc/38/88/18/242388818.db2.gz XIKSGDOSRJPSFO-UHFFFAOYSA-N -1 1 294.310 3.097 20 0 CGADMM CC1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000011639391 368592401 /nfs/dbraw/zinc/59/24/01/368592401.db2.gz MYFYYUKOXVGIMT-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000016755060 368721403 /nfs/dbraw/zinc/72/14/03/368721403.db2.gz WGGYCJGRWJEFFU-LBPRGKRZSA-N -1 1 271.719 3.091 20 0 CGADMM COc1ccc(C(=O)Nc2c(C)cccc2C)c([O-])c1 ZINC000019840209 368772069 /nfs/dbraw/zinc/77/20/69/368772069.db2.gz OFGXWYKMWHHQOM-UHFFFAOYSA-N -1 1 271.316 3.270 20 0 CGADMM COc1ccc(C(=O)Nc2cccc(C)c2C)c([O-])c1 ZINC000019840426 368772253 /nfs/dbraw/zinc/77/22/53/368772253.db2.gz QHGBGOFTKMOFHJ-UHFFFAOYSA-N -1 1 271.316 3.270 20 0 CGADMM CC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000031682878 368916586 /nfs/dbraw/zinc/91/65/86/368916586.db2.gz FPOLYLNVXRIGGI-SNVBAGLBSA-N -1 1 267.756 3.308 20 0 CGADMM CN(Cc1ccc(F)cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000036768128 369026856 /nfs/dbraw/zinc/02/68/56/369026856.db2.gz CKOSYCOOLLSUOQ-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM Cc1nc(CN(C)C(=O)c2cc(Cl)ccc2[O-])cs1 ZINC000044609906 369266266 /nfs/dbraw/zinc/26/62/66/369266266.db2.gz KIWWTLPEBQAXHG-UHFFFAOYSA-N -1 1 296.779 3.083 20 0 CGADMM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ncccc1[O-] ZINC000062017827 369614976 /nfs/dbraw/zinc/61/49/76/369614976.db2.gz WKJBWQWGYHXLRD-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM CC[C@]1(C)CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000072802680 369839232 /nfs/dbraw/zinc/83/92/32/369839232.db2.gz VMOGNGKTHQZEMC-OAHLLOKOSA-N -1 1 291.420 3.409 20 0 CGADMM CCC[C@@](C)(NCc1cc2ccccc2o1)C(=O)[O-] ZINC000086731840 370021714 /nfs/dbraw/zinc/02/17/14/370021714.db2.gz SQHCYPPPMPBZAG-OAHLLOKOSA-N -1 1 261.321 3.166 20 0 CGADMM CC[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H](C)O1 ZINC000111644597 370402645 /nfs/dbraw/zinc/40/26/45/370402645.db2.gz VIUSROVZQWBFGY-DOMZBBRYSA-N -1 1 299.370 3.185 20 0 CGADMM Cc1ccccc1[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000111775767 370406615 /nfs/dbraw/zinc/40/66/15/370406615.db2.gz MHZKZUKGWDDCQU-INIZCTEOSA-N -1 1 282.343 3.073 20 0 CGADMM O=C(Nc1ccc2c(c1)CCC2)c1cc(F)ccc1[O-] ZINC000132860772 371207456 /nfs/dbraw/zinc/20/74/56/371207456.db2.gz FWKPAIUPVANYLZ-UHFFFAOYSA-N -1 1 271.291 3.272 20 0 CGADMM CC[C@]1(C)C[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000133317263 371242863 /nfs/dbraw/zinc/24/28/63/371242863.db2.gz VMHGCKFLXRLUEA-TVQRCGJNSA-N -1 1 253.729 3.420 20 0 CGADMM CN(C(=O)c1cc2ccccc2cc1[O-])C1CCC1 ZINC000135044398 371386049 /nfs/dbraw/zinc/38/60/49/371386049.db2.gz QNDBKNOXRFEPOL-UHFFFAOYSA-N -1 1 255.317 3.170 20 0 CGADMM CNC(=O)c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000336898506 213776254 /nfs/dbraw/zinc/77/62/54/213776254.db2.gz QKVUWDCBRPOSLC-UHFFFAOYSA-N -1 1 290.750 3.017 20 0 CGADMM CC(C)C(CNC(=O)c1c(F)ccc([O-])c1F)C(C)C ZINC000290113108 371908115 /nfs/dbraw/zinc/90/81/15/371908115.db2.gz ILLFUMVWKNKJRA-UHFFFAOYSA-N -1 1 285.334 3.328 20 0 CGADMM O=C([O-])C[C@@H](NCc1ccc(F)cc1F)c1cccs1 ZINC000037087853 541861012 /nfs/dbraw/zinc/86/10/12/541861012.db2.gz MUOSYQMKRXJAPE-GFCCVEGCSA-N -1 1 297.326 3.332 20 0 CGADMM O=C([O-])C[C@H](NCc1ccc(Cl)o1)c1cccs1 ZINC000037509272 541864341 /nfs/dbraw/zinc/86/43/41/541864341.db2.gz TYXRIYYKAMNQGT-VIFPVBQESA-N -1 1 285.752 3.300 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000290527153 372009897 /nfs/dbraw/zinc/00/98/97/372009897.db2.gz XWSVXPWLLGXZPU-ZJUUUORDSA-N -1 1 283.318 3.227 20 0 CGADMM COc1ccc(-c2nc(CC3CCCC3)no2)c([O-])c1 ZINC000293397594 372372919 /nfs/dbraw/zinc/37/29/19/372372919.db2.gz RTTJKKXYNYTOAZ-UHFFFAOYSA-N -1 1 274.320 3.184 20 0 CGADMM CC(F)(F)C(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000293545454 372408605 /nfs/dbraw/zinc/40/86/05/372408605.db2.gz SLIFESKYLJWTAA-SNVBAGLBSA-N -1 1 295.251 3.322 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc([O-])cc2F)[C@H](C)C1 ZINC000163568292 372478550 /nfs/dbraw/zinc/47/85/50/372478550.db2.gz DSKKRSNKOQJEBR-RULNRJAQSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)C(C)(F)F)c1 ZINC000293613547 372425130 /nfs/dbraw/zinc/42/51/30/372425130.db2.gz YWNQVMIZRCRIPB-UHFFFAOYSA-N -1 1 294.095 3.057 20 0 CGADMM [O-]c1cccc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1Cl ZINC000293908938 372521329 /nfs/dbraw/zinc/52/13/29/372521329.db2.gz FVRIVTMCQQJJKJ-HOTGVXAUSA-N -1 1 293.794 3.189 20 0 CGADMM O=C([O-])C[C@H]1CCCN(Cc2cccc(Cl)c2F)C1 ZINC000167038069 372587498 /nfs/dbraw/zinc/58/74/98/372587498.db2.gz HALGLACANBXGAP-SNVBAGLBSA-N -1 1 285.746 3.166 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@@H](C)[C@@H](C)O1 ZINC000438427856 372953580 /nfs/dbraw/zinc/95/35/80/372953580.db2.gz QEXDRQIMPQXRBM-FRRDWIJNSA-N -1 1 299.370 3.183 20 0 CGADMM COc1cc(C(=O)NCCC(C)(C)C)cc(Cl)c1[O-] ZINC000442851818 373103305 /nfs/dbraw/zinc/10/33/05/373103305.db2.gz GTDPEYZSEWWPFL-UHFFFAOYSA-N -1 1 285.771 3.220 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC2(CCCC2)C1 ZINC000174849265 373373723 /nfs/dbraw/zinc/37/37/23/373373723.db2.gz RBIMGYMDQSLBNN-UHFFFAOYSA-N -1 1 279.767 3.452 20 0 CGADMM CCc1nc([C@H](C)NC(=O)c2cc(F)ccc2[O-])cs1 ZINC000175228530 373434545 /nfs/dbraw/zinc/43/45/45/373434545.db2.gz NDMOBYMKQFTTOS-QMMMGPOBSA-N -1 1 294.351 3.041 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000175234501 373436334 /nfs/dbraw/zinc/43/63/34/373436334.db2.gz KSMKDTVANJEWAC-KRWDZBQOSA-N -1 1 289.350 3.494 20 0 CGADMM CC1(C)CC[C@@H](CSc2nc(C(F)F)cc(=O)[n-]2)O1 ZINC000289504995 197381201 /nfs/dbraw/zinc/38/12/01/197381201.db2.gz LBYRIDMGBCDRAP-ZETCQYMHSA-N -1 1 290.335 3.170 20 0 CGADMM CC1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCCCCC1 ZINC000181832907 374178066 /nfs/dbraw/zinc/17/80/66/374178066.db2.gz GKPUNXGKGNAAFW-UHFFFAOYSA-N -1 1 290.289 3.123 20 0 CGADMM O=C(Nc1ccc2c(c1)CCC2)c1c(F)ccc([O-])c1F ZINC000334213439 206202262 /nfs/dbraw/zinc/20/22/62/206202262.db2.gz IQVZHCYXLJOONA-UHFFFAOYSA-N -1 1 289.281 3.411 20 0 CGADMM CS[C@H](C)CCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456775644 374619904 /nfs/dbraw/zinc/61/99/04/374619904.db2.gz CZXSHCXTRCJLIW-SSDOTTSWSA-N -1 1 275.320 3.141 20 0 CGADMM COc1cc(C(=O)N[C@H]2C[C@@]2(C)C(C)C)cc(Cl)c1[O-] ZINC000458122040 374697307 /nfs/dbraw/zinc/69/73/07/374697307.db2.gz XQOBQSLXBABCQB-WFASDCNBSA-N -1 1 297.782 3.219 20 0 CGADMM Oc1cc(F)cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000186245597 374820497 /nfs/dbraw/zinc/82/04/97/374820497.db2.gz GYAMDSHIRZKABB-GJZGRUSLSA-N -1 1 281.396 3.391 20 0 CGADMM CO[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1C ZINC000334533665 374830304 /nfs/dbraw/zinc/83/03/04/374830304.db2.gz QNZFMASIVPIEJI-WBMJQRKESA-N -1 1 299.370 3.042 20 0 CGADMM CC(C)[C@H](C)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464407593 374882915 /nfs/dbraw/zinc/88/29/15/374882915.db2.gz YKSOMXOYGWPGRN-SECBINFHSA-N -1 1 293.791 3.050 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1cc(F)ccc1Cl ZINC000334602048 374897711 /nfs/dbraw/zinc/89/77/11/374897711.db2.gz IYUKRHOZJPARPF-VHSXEESVSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(F)ccc1Cl ZINC000334602048 374897717 /nfs/dbraw/zinc/89/77/17/374897717.db2.gz IYUKRHOZJPARPF-VHSXEESVSA-N -1 1 285.746 3.164 20 0 CGADMM CCOc1cc(C(=O)N[C@@H](C)CC2CC2)cc(Cl)c1[O-] ZINC000186809000 374921625 /nfs/dbraw/zinc/92/16/25/374921625.db2.gz UJANAKUPJUJSOZ-VIFPVBQESA-N -1 1 297.782 3.363 20 0 CGADMM CCOc1cc(C(=O)N2CCC(C)(C)C2)cc(Cl)c1[O-] ZINC000186839755 374926884 /nfs/dbraw/zinc/92/68/84/374926884.db2.gz JPFQUMFCKJQBEK-UHFFFAOYSA-N -1 1 297.782 3.316 20 0 CGADMM O=C(CC1CC(F)(F)C1)Nc1ccc([O-])c(Cl)c1 ZINC000334652618 374944436 /nfs/dbraw/zinc/94/44/36/374944436.db2.gz RCOOAYQQMMXXDI-UHFFFAOYSA-N -1 1 275.682 3.420 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H]1C1CC1 ZINC000334667049 374955018 /nfs/dbraw/zinc/95/50/18/374955018.db2.gz SUJKPKMRTMEBDE-OAHLLOKOSA-N -1 1 267.328 3.170 20 0 CGADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)C1CCCCC1 ZINC000334989164 375056124 /nfs/dbraw/zinc/05/61/24/375056124.db2.gz QXBVCKQXUDQKRL-VIFPVBQESA-N -1 1 283.318 3.369 20 0 CGADMM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000335218355 375238328 /nfs/dbraw/zinc/23/83/28/375238328.db2.gz RPWJEFQNETYBQW-CLAHSXSESA-N -1 1 269.291 3.435 20 0 CGADMM CCc1c(C)[n-]n(-c2cccc(Br)c2)c1=O ZINC000103318409 541998306 /nfs/dbraw/zinc/99/83/06/541998306.db2.gz YKVODTGNHKJZJF-LLVKDONJSA-N -1 1 281.153 3.198 20 0 CGADMM CCC1CCC([N-]S(=O)(=O)c2sccc2F)CC1 ZINC000338865736 376554232 /nfs/dbraw/zinc/55/42/32/376554232.db2.gz KWTGAECRCNHTET-UHFFFAOYSA-N -1 1 291.413 3.134 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000235318898 376638019 /nfs/dbraw/zinc/63/80/19/376638019.db2.gz NFNIHAIHQOOZBH-SCZZXKLOSA-N -1 1 298.180 3.073 20 0 CGADMM Cc1ccc(CCC(=O)Nc2ccc(F)cc2[O-])o1 ZINC000340331022 377006499 /nfs/dbraw/zinc/00/64/99/377006499.db2.gz RSRIBSWQJRRMKM-UHFFFAOYSA-N -1 1 263.268 3.004 20 0 CGADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])n1cnc2ccccc21 ZINC000340332093 377008270 /nfs/dbraw/zinc/00/82/70/377008270.db2.gz HLHKFPXZQLJXAA-SNVBAGLBSA-N -1 1 299.305 3.081 20 0 CGADMM CC(C)CN(CCc1ccccc1)C(=O)c1cncc([O-])c1 ZINC000264859661 190140016 /nfs/dbraw/zinc/14/00/16/190140016.db2.gz OWKJGQRJYWGGMB-UHFFFAOYSA-N -1 1 298.386 3.128 20 0 CGADMM COCCC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCC1 ZINC000278164087 193849176 /nfs/dbraw/zinc/84/91/76/193849176.db2.gz NCMAKWSKKVYCDV-UHFFFAOYSA-N -1 1 292.310 3.040 20 0 CGADMM Cc1nc(SCCCC2CCOCC2)[n-]c(=O)c1C ZINC000516620858 249238992 /nfs/dbraw/zinc/23/89/92/249238992.db2.gz PDZUJOWDEDFBCB-UHFFFAOYSA-N -1 1 282.409 3.098 20 0 CGADMM C[C@@H]1CCCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000518386953 249279643 /nfs/dbraw/zinc/27/96/43/249279643.db2.gz RSPXJUVNONCGCR-LLVKDONJSA-N -1 1 286.331 3.024 20 0 CGADMM O=C([O-])[C@@H]1CCCN(Cc2cscc2C(F)(F)F)C1 ZINC000263431740 377936551 /nfs/dbraw/zinc/93/65/51/377936551.db2.gz SLBPOGAKTBCXHC-MRVPVSSYSA-N -1 1 293.310 3.064 20 0 CGADMM CC1(C)CN(Cc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccncc1 ZINC000263442180 377937954 /nfs/dbraw/zinc/93/79/54/377937954.db2.gz WVBGJAXLISMKEV-MRXNPFEDSA-N -1 1 296.370 3.363 20 0 CGADMM C[C@@H](c1ccco1)N(C)Cc1cccc(C(=O)[O-])c1 ZINC000263458920 377939203 /nfs/dbraw/zinc/93/92/03/377939203.db2.gz IDZDIQCYOYSFIS-NSHDSACASA-N -1 1 259.305 3.171 20 0 CGADMM C[C@@H](C(=O)[O-])N(C)c1ccnc2cc(C(F)(F)F)ccc21 ZINC000263493996 377941378 /nfs/dbraw/zinc/94/13/78/377941378.db2.gz JDCTUOJYPBRBLJ-QMMMGPOBSA-N -1 1 298.264 3.163 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1Cc2ccccc2C2(CC2)C1 ZINC000578076318 378036223 /nfs/dbraw/zinc/03/62/23/378036223.db2.gz FOMCKICWPNOWES-UHFFFAOYSA-N -1 1 297.354 3.334 20 0 CGADMM Cc1cc([C@H](C)N2CCc3ccccc3C2)oc1C(=O)[O-] ZINC000578778221 378099081 /nfs/dbraw/zinc/09/90/81/378099081.db2.gz MLEWGOYYBLFUBN-LBPRGKRZSA-N -1 1 285.343 3.406 20 0 CGADMM CCCC(O)(CCC)CC(=O)Nc1ccc(F)cc1[O-] ZINC000269676092 378253155 /nfs/dbraw/zinc/25/31/55/378253155.db2.gz MCAMPJXUCKHGND-UHFFFAOYSA-N -1 1 283.343 3.191 20 0 CGADMM CC[C@H](C)c1nc(-c2ccc([O-])c(C(N)=O)c2)cs1 ZINC000345764478 378363417 /nfs/dbraw/zinc/36/34/17/378363417.db2.gz XBKNHERJLZFJFA-QMMMGPOBSA-N -1 1 276.361 3.128 20 0 CGADMM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cncc([O-])c1 ZINC000274443359 378833630 /nfs/dbraw/zinc/83/36/30/378833630.db2.gz IMPGTKCFCOGXPP-GOSISDBHSA-N -1 1 296.370 3.025 20 0 CGADMM CC(C)c1nnc([N-]C(=O)c2csc(Cl)n2)s1 ZINC000274445774 378834070 /nfs/dbraw/zinc/83/40/70/378834070.db2.gz IEZYCMSDAWMXFU-UHFFFAOYSA-N -1 1 288.785 3.024 20 0 CGADMM C[C@H](C(=O)[N-]OC1CCCC1)c1cn(C)c2ccccc12 ZINC000274777888 378893630 /nfs/dbraw/zinc/89/36/30/378893630.db2.gz VTXKWQJLWUWTHI-LBPRGKRZSA-N -1 1 286.375 3.272 20 0 CGADMM CN(CCc1cccs1)C(=O)c1c(F)ccc([O-])c1F ZINC000348740605 379035397 /nfs/dbraw/zinc/03/53/97/379035397.db2.gz OBCKLCDKKOXSBG-UHFFFAOYSA-N -1 1 297.326 3.047 20 0 CGADMM Cc1cc(C)c(CNCc2ccc(C(=O)[O-])c(C)n2)c(C)c1 ZINC000277344996 379138518 /nfs/dbraw/zinc/13/85/18/379138518.db2.gz PBRDXVSYXRXZFA-UHFFFAOYSA-N -1 1 298.386 3.303 20 0 CGADMM Cc1ccc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])o1 ZINC000277373276 379141699 /nfs/dbraw/zinc/14/16/99/379141699.db2.gz QKSXCZYNHAMHBO-WFASDCNBSA-N -1 1 273.332 3.140 20 0 CGADMM CSC[C@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000277866682 379253206 /nfs/dbraw/zinc/25/32/06/379253206.db2.gz BKAAEXJQQBAZCE-ZETCQYMHSA-N -1 1 268.313 3.048 20 0 CGADMM CCCCCOCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278180046 379310005 /nfs/dbraw/zinc/31/00/05/379310005.db2.gz OFRTZDJAINIGDT-UHFFFAOYSA-N -1 1 280.299 3.288 20 0 CGADMM COC1(c2nc(-c3ccc([O-])cc3Cl)no2)CCC1 ZINC000350812206 379587138 /nfs/dbraw/zinc/58/71/38/379587138.db2.gz FULYQPNIXNWSIL-UHFFFAOYSA-N -1 1 280.711 3.121 20 0 CGADMM CC(C)n1nccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350838038 379591475 /nfs/dbraw/zinc/59/14/75/379591475.db2.gz QPFXOSGBDXVLEW-UHFFFAOYSA-N -1 1 288.282 3.026 20 0 CGADMM CCc1nc(C)c(-c2nc(-c3ccc([O-])cc3F)no2)o1 ZINC000350568513 379562298 /nfs/dbraw/zinc/56/22/98/379562298.db2.gz YWEICBVSPAQRCF-UHFFFAOYSA-N -1 1 289.266 3.107 20 0 CGADMM O=C([N-][C@@H]1CCOc2c(Cl)c(Cl)ccc21)C(F)F ZINC000377097963 379632894 /nfs/dbraw/zinc/63/28/94/379632894.db2.gz PLSCSRBPVJNMDF-SSDOTTSWSA-N -1 1 296.100 3.198 20 0 CGADMM Cc1ccc([C@@H]2CCN(C(=O)c3ncccc3[O-])C2)c(C)c1 ZINC000280199883 379639922 /nfs/dbraw/zinc/63/99/22/379639922.db2.gz WIJLBWADVPUXBT-CQSZACIVSA-N -1 1 296.370 3.034 20 0 CGADMM O=C(NC1CCCCCC1)c1c(F)ccc([O-])c1F ZINC000280845286 379805530 /nfs/dbraw/zinc/80/55/30/379805530.db2.gz VYPJEKLBMLMBAG-UHFFFAOYSA-N -1 1 269.291 3.123 20 0 CGADMM CCC[C@H](C)N(C)C(=O)N=c1[n-]sc2ccccc21 ZINC000640342129 379770076 /nfs/dbraw/zinc/77/00/76/379770076.db2.gz NFVTXFALPZLPPR-JTQLQIEISA-N -1 1 277.393 3.371 20 0 CGADMM CC[C@H](NC(=O)Nc1ccc([O-])c(Cl)c1)C(F)F ZINC000640811145 379869151 /nfs/dbraw/zinc/86/91/51/379869151.db2.gz DUFCABCAOWDMHZ-QMMMGPOBSA-N -1 1 278.686 3.211 20 0 CGADMM CC(C)[C@H]1CCCN(Cc2nc(C(=O)[O-])cs2)CC1 ZINC000378665600 379855653 /nfs/dbraw/zinc/85/56/53/379855653.db2.gz JIJQLDYBICLHAG-NSHDSACASA-N -1 1 282.409 3.099 20 0 CGADMM CO[C@@]1(C)CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000389507977 379901142 /nfs/dbraw/zinc/90/11/42/379901142.db2.gz DLLPXXKQIARKBJ-SFHVURJKSA-N -1 1 299.370 3.187 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)C(C)(C)C3CC3)[nH][n-]2)s1 ZINC000352739443 379932979 /nfs/dbraw/zinc/93/29/79/379932979.db2.gz NAAKNTCZXGWEKX-UHFFFAOYSA-N -1 1 289.404 3.243 20 0 CGADMM COc1ccc(C)cc1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC000417665389 380663448 /nfs/dbraw/zinc/66/34/48/380663448.db2.gz CKYRSDXSHLGCCB-UHFFFAOYSA-N -1 1 299.370 3.300 20 0 CGADMM CS[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000154315767 295637835 /nfs/dbraw/zinc/63/78/35/295637835.db2.gz TXWGYKCVTSLFJW-LLVKDONJSA-N -1 1 299.823 3.403 20 0 CGADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2c(C)noc2C)s1 ZINC000361649633 381857361 /nfs/dbraw/zinc/85/73/61/381857361.db2.gz FLROFDRAYZABBQ-SECBINFHSA-N -1 1 295.364 3.098 20 0 CGADMM CCc1[nH]ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000334945644 207334485 /nfs/dbraw/zinc/33/44/85/207334485.db2.gz SDUCBCZPOYKMPS-UHFFFAOYSA-N -1 1 264.712 3.188 20 0 CGADMM O=C([O-])c1ccc(CN2CC=C(C(F)(F)F)CC2)cc1 ZINC000263351856 304240918 /nfs/dbraw/zinc/24/09/18/304240918.db2.gz PZOFICRWDWALPX-UHFFFAOYSA-N -1 1 285.265 3.079 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCCC[C@@H]1c1ccccc1 ZINC000274050584 542372145 /nfs/dbraw/zinc/37/21/45/542372145.db2.gz PFZKABXJCAXKOA-MRXNPFEDSA-N -1 1 282.343 3.155 20 0 CGADMM CC1(C)CC[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)O1 ZINC000288946094 197198166 /nfs/dbraw/zinc/19/81/66/197198166.db2.gz BNDHFMIZVHMVGL-NSHDSACASA-N -1 1 278.283 3.211 20 0 CGADMM CC(C)(C)C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000307769495 542422444 /nfs/dbraw/zinc/42/24/44/542422444.db2.gz DMDAULSHLWXLPG-LLVKDONJSA-N -1 1 279.355 3.430 20 0 CGADMM COc1c(C)cc(S(=O)(=O)[N-]c2ccsc2)cc1C ZINC000174735177 533400442 /nfs/dbraw/zinc/40/04/42/533400442.db2.gz APDHCDQNNQGYAW-UHFFFAOYSA-N -1 1 297.401 3.174 20 0 CGADMM C[C@@H](C(=O)[N-]OC[C@@H]1CCOC1)c1ccc2ccccc2c1 ZINC000191810991 130308153 /nfs/dbraw/zinc/30/81/53/130308153.db2.gz MMMOXYFMZKQSLZ-ZIAGYGMSSA-N -1 1 299.370 3.028 20 0 CGADMM O=C(NCCC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000063101314 392134670 /nfs/dbraw/zinc/13/46/70/392134670.db2.gz WDIMPWKGLOETIK-UHFFFAOYSA-N -1 1 283.249 3.228 20 0 CGADMM CC(=O)c1ccc(-c2nc3ccc(O)cc3c(=O)[n-]2)c(F)c1 ZINC000436910405 542658531 /nfs/dbraw/zinc/65/85/31/542658531.db2.gz NUZFSCQSINUXJD-UHFFFAOYSA-N -1 1 298.273 3.050 20 0 CGADMM Cc1ccccc1[C@H]1CN(CCCCC(=O)[O-])[C@@H](C)CO1 ZINC000248373141 131115241 /nfs/dbraw/zinc/11/52/41/131115241.db2.gz GQQOLXPRFZMPFD-GOEBONIOSA-N -1 1 291.391 3.012 20 0 CGADMM CO[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000374711625 392694346 /nfs/dbraw/zinc/69/43/46/392694346.db2.gz AVHPZNGXAPALAJ-HNNXBMFYSA-N -1 1 299.370 3.187 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C)CCc2ccccc2)n1 ZINC000195059530 392953719 /nfs/dbraw/zinc/95/37/19/392953719.db2.gz SRYWSCOHDPQFNB-LBPRGKRZSA-N -1 1 288.416 3.446 20 0 CGADMM CC(C)(C)CCS(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000232510300 393027530 /nfs/dbraw/zinc/02/75/30/393027530.db2.gz GRPUELNCIDHBLQ-UHFFFAOYSA-N -1 1 291.800 3.224 20 0 CGADMM C[C@H]1CCN(Cc2cccc([O-])c2Cl)C[C@H]1F ZINC000646153371 393230755 /nfs/dbraw/zinc/23/07/55/393230755.db2.gz PUAGHENXKMTBGD-GXSJLCMTSA-N -1 1 257.736 3.226 20 0 CGADMM Cc1ccnc(N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000416436906 393313637 /nfs/dbraw/zinc/31/36/37/393313637.db2.gz FFLPZOSNKICMTA-NSHDSACASA-N -1 1 250.342 3.081 20 0 CGADMM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000649167331 393364885 /nfs/dbraw/zinc/36/48/85/393364885.db2.gz QBOYQGHYJMRTMS-FBIMIBRVSA-N -1 1 299.292 3.329 20 0 CGADMM CC(C)c1ccc2nc(-c3ccncc3F)[n-]c(=O)c2c1 ZINC000443422496 393756385 /nfs/dbraw/zinc/75/63/85/393756385.db2.gz KOCLTDHUDKNODV-UHFFFAOYSA-N -1 1 283.306 3.248 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCCC2(CCCC2)C1 ZINC000438564349 393724602 /nfs/dbraw/zinc/72/46/02/393724602.db2.gz YETYHIRQOSGPMO-UHFFFAOYSA-N -1 1 277.339 3.328 20 0 CGADMM [O-]c1ccc(-c2noc(C34CCC(CC3)C4)n2)c(F)c1 ZINC000445458538 393796413 /nfs/dbraw/zinc/79/64/13/393796413.db2.gz SWNJEONNYCKOBB-UHFFFAOYSA-N -1 1 274.295 3.413 20 0 CGADMM [O-]c1ccc(-c2noc(CCC3CCC3)n2)cc1F ZINC000445480644 393798462 /nfs/dbraw/zinc/79/84/62/393798462.db2.gz MHCQDNXWHZZCFN-UHFFFAOYSA-N -1 1 262.284 3.314 20 0 CGADMM Oc1ccc(F)c(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1F ZINC000449532151 393885202 /nfs/dbraw/zinc/88/52/02/393885202.db2.gz CTCHMIIKYDIGEE-ZBEGNZNMSA-N -1 1 279.330 3.291 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)[C@H]1CCC[C@@H](C)C1 ZINC000457006860 394309976 /nfs/dbraw/zinc/30/99/76/394309976.db2.gz PRZPGEATGLFHQV-WOPDTQHZSA-N -1 1 279.355 3.476 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCC(=O)c2ccccc21 ZINC000670814583 543158809 /nfs/dbraw/zinc/15/88/09/543158809.db2.gz XBMZKGPWANHNMN-GFCCVEGCSA-N -1 1 299.301 3.230 20 0 CGADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)C3CCCC3)n2)o1 ZINC000675708474 543356941 /nfs/dbraw/zinc/35/69/41/543356941.db2.gz UWFIGMIIMZUBMD-JTQLQIEISA-N -1 1 288.351 3.138 20 0 CGADMM CCN(C(=O)c1ccccc1[O-])c1cccc(C)c1 ZINC000040217769 286890121 /nfs/dbraw/zinc/89/01/21/286890121.db2.gz LIYGQWVQESUZLB-UHFFFAOYSA-N -1 1 255.317 3.367 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])[C@@H]1C ZINC000050566625 286932305 /nfs/dbraw/zinc/93/23/05/286932305.db2.gz USWDURZYOVCEIS-NXEZZACHSA-N -1 1 267.756 3.306 20 0 CGADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000087217559 287084768 /nfs/dbraw/zinc/08/47/68/287084768.db2.gz UBJPWYNPURIMEX-NMSKTSORSA-N -1 1 283.755 3.044 20 0 CGADMM O=C([O-])c1cccc(CN2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000088431537 165196032 /nfs/dbraw/zinc/19/60/32/165196032.db2.gz GRTWSDQTDWNLFH-GFCCVEGCSA-N -1 1 287.281 3.159 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccncc1Cl ZINC000091456597 165265726 /nfs/dbraw/zinc/26/57/26/165265726.db2.gz SKPDEWIIIDPKRT-UHFFFAOYSA-N -1 1 283.114 3.346 20 0 CGADMM CCOc1ccccc1N(C)C(=O)c1ccccc1[O-] ZINC000121417066 287198037 /nfs/dbraw/zinc/19/80/37/287198037.db2.gz JNJZCMHOJPROBQ-UHFFFAOYSA-N -1 1 271.316 3.068 20 0 CGADMM C[C@@H]1CC=C(C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000335218353 287239282 /nfs/dbraw/zinc/23/92/82/287239282.db2.gz RPNGCZLZLWIDDC-MRVPVSSYSA-N -1 1 267.275 3.355 20 0 CGADMM C[C@H](CCc1ccco1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000022691555 171395640 /nfs/dbraw/zinc/39/56/40/171395640.db2.gz NFDFEDRAMMYVPO-SNVBAGLBSA-N -1 1 293.750 3.390 20 0 CGADMM CC[C@H](C)N(CC)C(=O)c1ccc(Cl)cc1[O-] ZINC000037113696 172966033 /nfs/dbraw/zinc/96/60/33/172966033.db2.gz MARFBVUHJKUIIN-VIFPVBQESA-N -1 1 255.745 3.306 20 0 CGADMM CC(C)C[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000043432739 175043439 /nfs/dbraw/zinc/04/34/39/175043439.db2.gz KKZMQCWXJQOXCI-CYBMUJFWSA-N -1 1 261.321 3.022 20 0 CGADMM O=C([O-])CC[C@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000043585924 175071446 /nfs/dbraw/zinc/07/14/46/175071446.db2.gz GFXYWCCOFQIVHB-LLVKDONJSA-N -1 1 283.318 3.042 20 0 CGADMM CC[C@@H]1COC(C)(C)CN1Cc1cccc([O-])c1Cl ZINC000403830095 416550416 /nfs/dbraw/zinc/55/04/16/416550416.db2.gz NJCVMQVRKJIOPM-GFCCVEGCSA-N -1 1 283.799 3.435 20 0 CGADMM CCC[C@@H]1C[C@@H](C(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679562089 543647046 /nfs/dbraw/zinc/64/70/46/543647046.db2.gz ZXYIHKBOHYUFOC-WDEREUQCSA-N -1 1 281.327 3.065 20 0 CGADMM CC(=O)C(C)(C)CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000679643469 543653228 /nfs/dbraw/zinc/65/32/28/543653228.db2.gz JAOYHQHASVXWNG-UHFFFAOYSA-N -1 1 283.755 3.380 20 0 CGADMM Cc1cnc(C(=O)N(CC2CC2)C2CCCCC2)c([O-])c1 ZINC000680845659 543739287 /nfs/dbraw/zinc/73/92/87/543739287.db2.gz NMXLXEJFGNPKKK-UHFFFAOYSA-N -1 1 288.391 3.281 20 0 CGADMM O=C(Nc1cnc2ccccc2c1)c1ccc([O-])c(F)c1 ZINC000681013927 543756441 /nfs/dbraw/zinc/75/64/41/543756441.db2.gz ATNDUFILJATLOC-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N(Cc1ccccc1)C1CC1 ZINC000681013976 543756510 /nfs/dbraw/zinc/75/65/10/543756510.db2.gz DULIAXVOSVBBPE-UHFFFAOYSA-N -1 1 285.318 3.336 20 0 CGADMM CO[C@@H](C)c1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681039227 543759669 /nfs/dbraw/zinc/75/96/69/543759669.db2.gz RNVNALAFGCUYMM-JTQLQIEISA-N -1 1 289.306 3.491 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2ccc([O-])c(F)c2)s1 ZINC000681041293 543759727 /nfs/dbraw/zinc/75/97/27/543759727.db2.gz YMZOPKBBEVZLOO-UHFFFAOYSA-N -1 1 279.336 3.173 20 0 CGADMM CC1(c2ccccc2)CC(NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681041474 543759743 /nfs/dbraw/zinc/75/97/43/543759743.db2.gz CHLLYFDXQUEJLT-UHFFFAOYSA-N -1 1 299.345 3.381 20 0 CGADMM CC(C)(C)C1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681046910 543760459 /nfs/dbraw/zinc/76/04/59/543760459.db2.gz GJVPOITTZHFNQE-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM CC(C)[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681046351 543760690 /nfs/dbraw/zinc/76/06/90/543760690.db2.gz JHSZJMWHNYMRDU-GFCCVEGCSA-N -1 1 279.355 3.430 20 0 CGADMM C[C@H]1C[C@H](NC(=O)c2ccc([O-])c(F)c2)C[C@@H](C)C1 ZINC000681048476 543760872 /nfs/dbraw/zinc/76/08/72/543760872.db2.gz HVPUKUWUCSONHH-IAZYJMLFSA-N -1 1 265.328 3.086 20 0 CGADMM CC[C@@](C)(NC(=O)c1ccc([O-])c(F)c1)c1nccs1 ZINC000681048650 543760880 /nfs/dbraw/zinc/76/08/80/543760880.db2.gz MSQYAQAFFQTWEY-CQSZACIVSA-N -1 1 294.351 3.043 20 0 CGADMM CC(C)CC(C)(C)CNC(=O)c1ccc([O-])c(F)c1 ZINC000681055092 543761286 /nfs/dbraw/zinc/76/12/86/543761286.db2.gz SCRVWCBUXLFQHG-UHFFFAOYSA-N -1 1 267.344 3.333 20 0 CGADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681053587 543761468 /nfs/dbraw/zinc/76/14/68/543761468.db2.gz UVETUGWKGOQGNE-GXFFZTMASA-N -1 1 279.355 3.476 20 0 CGADMM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1c([O-])cccc1F ZINC000681059128 543762124 /nfs/dbraw/zinc/76/21/24/543762124.db2.gz JTYFWMGJQKPLOA-SMDDNHRTSA-N -1 1 295.354 3.455 20 0 CGADMM C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc([O-])c(F)c3)C2)C1 ZINC000681069070 543763242 /nfs/dbraw/zinc/76/32/42/543763242.db2.gz ULLLCJZLUAZRHW-BZNIZROVSA-N -1 1 277.339 3.184 20 0 CGADMM CCC[C@H]1CCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681067627 543763386 /nfs/dbraw/zinc/76/33/86/543763386.db2.gz DEYCNYPIKKPGEK-LBPRGKRZSA-N -1 1 265.328 3.326 20 0 CGADMM O=C(NC[C@@H]1CCc2ccccc2C1)c1c([O-])cccc1F ZINC000681232745 543775591 /nfs/dbraw/zinc/77/55/91/543775591.db2.gz WKCMSDMGASBQRJ-GFCCVEGCSA-N -1 1 299.345 3.066 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)c2ccccc21 ZINC000681528881 543793512 /nfs/dbraw/zinc/79/35/12/543793512.db2.gz GXYGWDLRHTZWGZ-UHFFFAOYSA-N -1 1 285.318 3.469 20 0 CGADMM Cc1ccnc(CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000683454586 543915804 /nfs/dbraw/zinc/91/58/04/543915804.db2.gz PUTOWPQJZXTOOF-UHFFFAOYSA-N -1 1 273.361 3.055 20 0 CGADMM CCC(=O)c1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000683621024 543929254 /nfs/dbraw/zinc/92/92/54/543929254.db2.gz QMBBPQJZNROSEF-UHFFFAOYSA-N -1 1 296.301 3.322 20 0 CGADMM CCC(C)(C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871003 544034843 /nfs/dbraw/zinc/03/48/43/544034843.db2.gz WYBDZBKYTZFPMT-UHFFFAOYSA-N -1 1 275.270 3.329 20 0 CGADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccsc1 ZINC000685487700 544080916 /nfs/dbraw/zinc/08/09/16/544080916.db2.gz MKWMVSLLBVCSPK-ZETCQYMHSA-N -1 1 283.299 3.223 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CCC[C@@H]4C[C@@H]43)n2)c(F)c1 ZINC000664849002 419014256 /nfs/dbraw/zinc/01/42/56/419014256.db2.gz ZUWICHSLHONACM-UISBYWKRSA-N -1 1 274.295 3.485 20 0 CGADMM CCOc1nc(C(=O)[N-]c2ccc(C)cc2SC)co1 ZINC000665967012 419175023 /nfs/dbraw/zinc/17/50/23/419175023.db2.gz FYHFLBKFVHOVCQ-UHFFFAOYSA-N -1 1 292.360 3.356 20 0 CGADMM CC(C)[C@H](C)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000666027833 419181224 /nfs/dbraw/zinc/18/12/24/419181224.db2.gz XUAGXBWBGONTNX-NSHDSACASA-N -1 1 272.348 3.057 20 0 CGADMM O=C([O-])C12CC(C1)CN2Cc1cc(Cl)cc(Cl)c1 ZINC000656760875 419210748 /nfs/dbraw/zinc/21/07/48/419210748.db2.gz LAFWQUVIMIUIAN-UHFFFAOYSA-N -1 1 286.158 3.042 20 0 CGADMM Cc1ccc2[nH]c3c(c2c1)CN(CC1(CC(=O)[O-])CC1)CC3 ZINC000656768729 419213505 /nfs/dbraw/zinc/21/35/05/419213505.db2.gz WPZXDDDQHQZRGZ-UHFFFAOYSA-N -1 1 298.386 3.089 20 0 CGADMM CCc1nc(S[C@@H](C)c2cnc(C)cn2)[n-]c(=O)c1C ZINC000657264201 419239937 /nfs/dbraw/zinc/23/99/37/419239937.db2.gz JRPKFOYOFYHTME-JTQLQIEISA-N -1 1 290.392 3.005 20 0 CGADMM CCc1ncsc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182871580 260067429 /nfs/dbraw/zinc/06/74/29/260067429.db2.gz BOXWAMNBFZDAAB-UHFFFAOYSA-N -1 1 282.752 3.317 20 0 CGADMM CS[C@H]1CCC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000227355480 270087185 /nfs/dbraw/zinc/08/71/85/270087185.db2.gz OUBWDWWGTXZJHN-QWRGUYRKSA-N -1 1 299.823 3.450 20 0 CGADMM CCc1nc(SCc2sc(C)nc2C)[n-]c(=O)c1C ZINC000520839984 270099379 /nfs/dbraw/zinc/09/93/79/270099379.db2.gz ZLBLTLCAQQNXDP-UHFFFAOYSA-N -1 1 295.433 3.419 20 0 CGADMM Cc1ccc(-c2ccc(Cl)cc2[N-]S(C)(=O)=O)o1 ZINC000527027888 270124642 /nfs/dbraw/zinc/12/46/42/270124642.db2.gz JAGVONFRRALMQH-UHFFFAOYSA-N -1 1 285.752 3.280 20 0 CGADMM CCC(F)(F)C(C)(C)CN=c1nc([C@@H](C)OC)[n-]s1 ZINC000528183206 270156721 /nfs/dbraw/zinc/15/67/21/270156721.db2.gz WXFXPWSAFALKBX-MRVPVSSYSA-N -1 1 293.383 3.151 20 0 CGADMM CC1([N-]S(=O)(=O)c2cc3ccccc3o2)CCCC1 ZINC000531247821 270205531 /nfs/dbraw/zinc/20/55/31/270205531.db2.gz TXGKZDPLFKCAGC-UHFFFAOYSA-N -1 1 279.361 3.044 20 0 CGADMM C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000532621055 270217964 /nfs/dbraw/zinc/21/79/64/270217964.db2.gz LNQGKTJSGKDROO-PWSUYJOCSA-N -1 1 281.327 3.065 20 0 CGADMM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc2ccccc2cc1[O-] ZINC000397656129 288026254 /nfs/dbraw/zinc/02/62/54/288026254.db2.gz GXDUECABNMKYFY-BTTYYORXSA-N -1 1 267.328 3.074 20 0 CGADMM CC(C)N(C(=O)c1cc2ccccc2cc1[O-])[C@H]1CCOC1 ZINC000291810922 279313241 /nfs/dbraw/zinc/31/32/41/279313241.db2.gz XYISUASABAWWJF-HNNXBMFYSA-N -1 1 299.370 3.185 20 0 CGADMM CC(C)N(C(=O)c1ccc2ccccc2c1[O-])[C@H]1CCOC1 ZINC000334298788 279314831 /nfs/dbraw/zinc/31/48/31/279314831.db2.gz OQWWOPDTVRPEJJ-AWEZNQCLSA-N -1 1 299.370 3.185 20 0 CGADMM C[C@H]1CCC[C@H](C(=O)Nc2cccc(F)c2[O-])C1 ZINC000530006379 288281974 /nfs/dbraw/zinc/28/19/74/288281974.db2.gz RSAWQAODCRVFRE-UWVGGRQHSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530006411 288281992 /nfs/dbraw/zinc/28/19/92/288281992.db2.gz RSNNPXWPYGLZHL-NXEZZACHSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@@H]1CC[C@H](CC(=O)Nc2cccc(F)c2[O-])C1 ZINC000530006321 288282071 /nfs/dbraw/zinc/28/20/71/288282071.db2.gz RILDUHSTJDPOLZ-ZJUUUORDSA-N -1 1 251.301 3.296 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccnn1C1CCCC1 ZINC000530006322 288282163 /nfs/dbraw/zinc/28/21/63/288282163.db2.gz RIVGGHGZCSIQAF-UHFFFAOYSA-N -1 1 289.310 3.095 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1coc(C2CCCC2)n1 ZINC000530007181 288282501 /nfs/dbraw/zinc/28/25/01/288282501.db2.gz ZNJSCSRHAUSTOA-UHFFFAOYSA-N -1 1 290.294 3.429 20 0 CGADMM C[C@H]1CC(F)(F)CCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000530173462 288292610 /nfs/dbraw/zinc/29/26/10/288292610.db2.gz PCHWGXSOIBASSF-VIFPVBQESA-N -1 1 287.281 3.144 20 0 CGADMM CC1(C)CCC[C@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000227410744 281050113 /nfs/dbraw/zinc/05/01/13/281050113.db2.gz JCAPTSZVJPBQAG-JTQLQIEISA-N -1 1 265.328 3.230 20 0 CGADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC(F)(F)CC1 ZINC000530171396 288292208 /nfs/dbraw/zinc/29/22/08/288292208.db2.gz DACWNTNTOBCTCX-LLVKDONJSA-N -1 1 289.709 3.197 20 0 CGADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ncc(C(C)(C)C)o1 ZINC000530176577 288294315 /nfs/dbraw/zinc/29/43/15/288294315.db2.gz UMIXQAIPXZRXJE-QWRGUYRKSA-N -1 1 294.395 3.046 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCCCCc2ccccc21 ZINC000550660164 289080853 /nfs/dbraw/zinc/08/08/53/289080853.db2.gz GHPAOQGZYPOKDV-UHFFFAOYSA-N -1 1 282.343 3.160 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3C3CC3)n2)cc1F ZINC000556320476 289385844 /nfs/dbraw/zinc/38/58/44/289385844.db2.gz JJHVCHOEWHGVPZ-ZJUUUORDSA-N -1 1 260.268 3.095 20 0 CGADMM Cc1cccnc1CN1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000566807659 322139310 /nfs/dbraw/zinc/13/93/10/322139310.db2.gz FXYNEAKKAUREQR-IRXDYDNUSA-N -1 1 296.370 3.180 20 0 CGADMM CC[N@@H+](CCc1ccccc1)Cc1ccc(C(=O)[O-])o1 ZINC000568520712 322212310 /nfs/dbraw/zinc/21/23/10/322212310.db2.gz MOAGEWSXYSZBQW-UHFFFAOYSA-N -1 1 273.332 3.042 20 0 CGADMM Cc1cnc(SC[C@@H]2CCCC[C@H]2C)[n-]c1=O ZINC000570651105 322279027 /nfs/dbraw/zinc/27/90/27/322279027.db2.gz RYUYMNYCSHDSHA-KOLCDFICSA-N -1 1 252.383 3.409 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1nc(C2CC2)cs1 ZINC000570817972 322282998 /nfs/dbraw/zinc/28/29/98/322282998.db2.gz BECUGFNJJDPNSV-SCVCMEIPSA-N -1 1 294.420 3.094 20 0 CGADMM CCC(C)(CC)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000584365905 329103458 /nfs/dbraw/zinc/10/34/58/329103458.db2.gz QDHCDMXUZBNLCC-UHFFFAOYSA-N -1 1 293.791 3.336 20 0 CGADMM Cc1ccc2c(c1)N(C(=O)c1ccccc1[O-])C[C@@H](C)O2 ZINC000175042016 335171805 /nfs/dbraw/zinc/17/18/05/335171805.db2.gz RWQMJJBDOALKKT-GFCCVEGCSA-N -1 1 283.327 3.128 20 0 CGADMM CO[C@@H]1CCC[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000350566812 335514487 /nfs/dbraw/zinc/51/44/87/335514487.db2.gz QLCJDEVAKQTZCG-WDEREUQCSA-N -1 1 292.310 3.254 20 0 CGADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1cccc(C2CC2)c1 ZINC000580993498 335993414 /nfs/dbraw/zinc/99/34/14/335993414.db2.gz GFTPKSNNJBPVTF-LLVKDONJSA-N -1 1 282.343 3.156 20 0 CGADMM CC(F)(F)CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000381795755 336073400 /nfs/dbraw/zinc/07/34/00/336073400.db2.gz OMSINGKGCWJKNA-UHFFFAOYSA-N -1 1 279.286 3.321 20 0 CGADMM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)c([O-])c1 ZINC000152791596 533792544 /nfs/dbraw/zinc/79/25/44/533792544.db2.gz KTVYUDVPQOITAV-KCJUWKMLSA-N -1 1 298.180 3.073 20 0 CGADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)c1ccco1 ZINC000413004453 534018888 /nfs/dbraw/zinc/01/88/88/534018888.db2.gz KFISXQZCJRALAS-MRVPVSSYSA-N -1 1 290.344 3.016 20 0 CGADMM Cc1nc(CNCc2cccc(Cl)c2)ccc1C(=O)[O-] ZINC000426659008 534385527 /nfs/dbraw/zinc/38/55/27/534385527.db2.gz ASGVAQPLAMHYDW-UHFFFAOYSA-N -1 1 290.750 3.031 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3Cc4ccccc43)n2)cc1F ZINC000445481076 534451034 /nfs/dbraw/zinc/45/10/34/534451034.db2.gz NZCRGFNAZDOPNN-GFCCVEGCSA-N -1 1 282.274 3.269 20 0 CGADMM O=C(Nc1csc(-c2ccncc2)n1)c1ccccc1[O-] ZINC000436669958 534470770 /nfs/dbraw/zinc/47/07/70/534470770.db2.gz CCHLYWQVZNBYAY-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM O=C([O-])[C@@H](NCc1ccc(Cl)c(F)c1)c1ccsc1 ZINC000426826153 534514810 /nfs/dbraw/zinc/51/48/10/534514810.db2.gz DBEMMDFKLIORQK-LBPRGKRZSA-N -1 1 299.754 3.456 20 0 CGADMM Cc1cccc(NC(=O)c2ccc([O-])cc2F)c1C ZINC000154750235 524661200 /nfs/dbraw/zinc/66/12/00/524661200.db2.gz PZRYMYUVWUWQDS-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM O=C(Nc1ccc(OCC2CC2)cc1)c1ccc(O)cc1[O-] ZINC000171946310 534837059 /nfs/dbraw/zinc/83/70/59/534837059.db2.gz UJLWUKVDYRQAHW-UHFFFAOYSA-N -1 1 299.326 3.139 20 0 CGADMM CC(C)[C@@H]1CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436689421 528704702 /nfs/dbraw/zinc/70/47/02/528704702.db2.gz NXGLIOJYDQGVND-HNNXBMFYSA-N -1 1 269.344 3.416 20 0 CGADMM CCc1cc(=O)[n-]c(SCC2=CCCCC2)n1 ZINC000450902890 536155108 /nfs/dbraw/zinc/15/51/08/536155108.db2.gz BQUXCSWHXKFXOP-UHFFFAOYSA-N -1 1 250.367 3.337 20 0 CGADMM CC(C)(C)c1ccc(CN2CCCC[C@@H]2C(=O)[O-])s1 ZINC000166276470 571728441 /nfs/dbraw/zinc/72/84/41/571728441.db2.gz WILBHLCUMJOKTM-GFCCVEGCSA-N -1 1 281.421 3.485 20 0 CGADMM O=C([O-])CCCCN[C@H](c1nccs1)c1ccccc1 ZINC000738573779 571876735 /nfs/dbraw/zinc/87/67/35/571876735.db2.gz AHRZJNBZOXMZIK-AWEZNQCLSA-N -1 1 290.388 3.077 20 0 CGADMM O=C([N-]c1cc(F)c(F)cc1F)c1scnc1Cl ZINC000729408646 571912257 /nfs/dbraw/zinc/91/22/57/571912257.db2.gz KNPRUFHSVXMSNH-UHFFFAOYSA-N -1 1 292.669 3.466 20 0 CGADMM c1cc(NCCCC2CCCCC2)nc(-c2nnn[n-]2)c1 ZINC000738412220 572374202 /nfs/dbraw/zinc/37/42/02/572374202.db2.gz CRRWMZBSLFGXEN-UHFFFAOYSA-N -1 1 286.383 3.034 20 0 CGADMM c1cc(NCCCC2CCCCC2)nc(-c2nn[n-]n2)c1 ZINC000738412220 572374206 /nfs/dbraw/zinc/37/42/06/572374206.db2.gz CRRWMZBSLFGXEN-UHFFFAOYSA-N -1 1 286.383 3.034 20 0 CGADMM O=C([N-]c1nc(C2CC2)no1)c1cc2cc(F)ccc2o1 ZINC000735521095 572729700 /nfs/dbraw/zinc/72/97/00/572729700.db2.gz XAPRQHNRYFCLMW-UHFFFAOYSA-N -1 1 287.250 3.085 20 0 CGADMM CC[C@@](C)([N-]C(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000749385172 572995758 /nfs/dbraw/zinc/99/57/58/572995758.db2.gz HOFQZJPKKUWFIC-GFCCVEGCSA-N -1 1 277.261 3.328 20 0 CGADMM O=C(OC/C(Cl)=C/Cl)c1c([O-])cc(F)cc1F ZINC000763947799 627186501 /nfs/dbraw/zinc/18/65/01/627186501.db2.gz LPUZABFWBAEMHR-HYXAFXHYSA-N -1 1 283.057 3.146 20 0 CGADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC000050920789 597207733 /nfs/dbraw/zinc/20/77/33/597207733.db2.gz SOPGXXALFRTWCU-LLVKDONJSA-N -1 1 273.307 3.375 20 0 CGADMM Cc1c(Cl)cccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822034973 607310768 /nfs/dbraw/zinc/31/07/68/607310768.db2.gz NHOFDVFBJHVBMX-UHFFFAOYSA-N -1 1 289.726 3.034 20 0 CGADMM Cc1c(Cl)cccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822034973 607310769 /nfs/dbraw/zinc/31/07/69/607310769.db2.gz NHOFDVFBJHVBMX-UHFFFAOYSA-N -1 1 289.726 3.034 20 0 CGADMM CC(C)[C@@H](C)CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820015729 599565763 /nfs/dbraw/zinc/56/57/63/599565763.db2.gz FZWPRLORADLNJG-NSHDSACASA-N -1 1 296.378 3.119 20 0 CGADMM CC(C)[C@@H](C)CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820015729 599565765 /nfs/dbraw/zinc/56/57/65/599565765.db2.gz FZWPRLORADLNJG-NSHDSACASA-N -1 1 296.378 3.119 20 0 CGADMM C[C@H](c1cc(F)ccc1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405364932 600293550 /nfs/dbraw/zinc/29/35/50/600293550.db2.gz SWVHLQDODITIRQ-MFKMUULPSA-N -1 1 295.329 3.213 20 0 CGADMM Cc1[n-]n(-c2ncccc2C(F)(F)F)c(=O)c1C(C)C ZINC000899347211 620647900 /nfs/dbraw/zinc/64/79/00/620647900.db2.gz MYBVCPSORDJGIQ-SNVBAGLBSA-N -1 1 285.269 3.095 20 0 CGADMM O=C([O-])c1csc(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000833342394 602183836 /nfs/dbraw/zinc/18/38/36/602183836.db2.gz KODIOUAYQSPLHW-UHFFFAOYSA-N -1 1 297.719 3.058 20 0 CGADMM O=C([O-])c1cc(CN2CCC[C@@H]2c2cccc(F)c2)c[nH]1 ZINC000833780122 604536073 /nfs/dbraw/zinc/53/60/73/604536073.db2.gz QZJVQDXNJCAQPR-OAHLLOKOSA-N -1 1 288.322 3.189 20 0 CGADMM CC(C)(C)c1cnc(CN[C@@]2(C)CCCC[C@@H]2C(=O)[O-])o1 ZINC000833450132 604816741 /nfs/dbraw/zinc/81/67/41/604816741.db2.gz ZLCTZXGJFINNJO-BZNIZROVSA-N -1 1 294.395 3.095 20 0 CGADMM CC(C)(C(=O)[O-])[C@H](NCc1cscn1)c1ccccc1 ZINC000833413900 604866060 /nfs/dbraw/zinc/86/60/60/604866060.db2.gz JOYWAKIALWYGLS-CYBMUJFWSA-N -1 1 290.388 3.085 20 0 CGADMM CSc1ccc(CN(CC(=O)[O-])CC(C)C)s1 ZINC000901590716 620938654 /nfs/dbraw/zinc/93/86/54/620938654.db2.gz RQSLJNKMGVGXGU-UHFFFAOYSA-N -1 1 273.423 3.013 20 0 CGADMM O=C(/C=C/c1ccnc(Cl)c1)Nc1c([O-])cccc1F ZINC000092550579 617662234 /nfs/dbraw/zinc/66/22/34/617662234.db2.gz JVZLHYJYGPDBSC-SNAWJCMRSA-N -1 1 292.697 3.232 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCc2sccc2C1 ZINC000049346919 619742773 /nfs/dbraw/zinc/74/27/73/619742773.db2.gz ARYJXNHVHADHMB-UHFFFAOYSA-N -1 1 293.775 3.306 20 0 CGADMM CCC(C)(C)c1nnc([N-][C@@H](c2ncccn2)C2CC2)o1 ZINC000895777397 619884246 /nfs/dbraw/zinc/88/42/46/619884246.db2.gz KKUXJYYUSOQMHR-LLVKDONJSA-N -1 1 287.367 3.110 20 0 CGADMM CC[C@@H]1CCCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896132504 619955479 /nfs/dbraw/zinc/95/54/79/619955479.db2.gz NSGADFGJCZWFPL-GFCCVEGCSA-N -1 1 285.343 3.266 20 0 CGADMM CC(C)(CCC(=O)[O-])Nc1ccnc2cc(F)ccc21 ZINC000263409530 620316977 /nfs/dbraw/zinc/31/69/77/620316977.db2.gz LTQRWVWFMUTJMH-UHFFFAOYSA-N -1 1 276.311 3.429 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)C1CCC2(CC2)CC1 ZINC000898577155 620597613 /nfs/dbraw/zinc/59/76/13/620597613.db2.gz WPUHEOCRAWSSNJ-UHFFFAOYSA-N -1 1 263.312 3.206 20 0 CGADMM CCc1ccc(CN[C@@H](C(=O)[O-])c2cccs2)s1 ZINC000901599273 620949688 /nfs/dbraw/zinc/94/96/88/620949688.db2.gz UKYUPYVMKLKVPB-GFCCVEGCSA-N -1 1 281.402 3.288 20 0 CGADMM Cc1cc(CNCc2cccc(C)c2C)oc1C(=O)[O-] ZINC000901941778 621071998 /nfs/dbraw/zinc/07/19/98/621071998.db2.gz CEZJBRUEZIRRAF-UHFFFAOYSA-N -1 1 273.332 3.193 20 0 CGADMM CSc1ccc(CNCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000901943379 621072608 /nfs/dbraw/zinc/07/26/08/621072608.db2.gz ZXOXMTGHNCLNPQ-UHFFFAOYSA-N -1 1 291.372 3.298 20 0 CGADMM CSc1ccc(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])s1 ZINC000902018604 621103942 /nfs/dbraw/zinc/10/39/42/621103942.db2.gz VDSKJNWKFWMZFF-KOLCDFICSA-N -1 1 285.434 3.155 20 0 CGADMM CC[C@@H](NCc1cc(C(=O)[O-])cs1)c1nc(C)cs1 ZINC000902228487 621202485 /nfs/dbraw/zinc/20/24/85/621202485.db2.gz LTKFJQFSLLWRKF-LLVKDONJSA-N -1 1 296.417 3.452 20 0 CGADMM Cc1cccc([C@H](NCc2cc(C(=O)[O-])no2)C(C)C)c1 ZINC000902339476 621252457 /nfs/dbraw/zinc/25/24/57/621252457.db2.gz WOJIVNBEKFBSIC-OAHLLOKOSA-N -1 1 288.347 3.168 20 0 CGADMM CC1(C)C[C@@]1(NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000902329779 621265274 /nfs/dbraw/zinc/26/52/74/621265274.db2.gz NBGPWEAZCIKNBL-QGZVFWFLSA-N -1 1 285.343 3.393 20 0 CGADMM CCSc1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC000902336877 621270769 /nfs/dbraw/zinc/27/07/69/621270769.db2.gz QSPJBHDUYCSLTQ-UHFFFAOYSA-N -1 1 291.372 3.380 20 0 CGADMM CC1=CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000902451467 621330370 /nfs/dbraw/zinc/33/03/70/621330370.db2.gz SZAWAQGYLNDBEH-UHFFFAOYSA-N -1 1 265.740 3.190 20 0 CGADMM Cc1cc(CN2CC(Cc3cccc(C)c3)C2)oc1C(=O)[O-] ZINC000902464625 621337699 /nfs/dbraw/zinc/33/76/99/621337699.db2.gz IKGSWFHECMTFRP-UHFFFAOYSA-N -1 1 299.370 3.269 20 0 CGADMM CC(C)(CCN1CCc2sc(Cl)cc2C1)C(=O)[O-] ZINC000902469808 621340070 /nfs/dbraw/zinc/34/00/70/621340070.db2.gz WUTFXHAFMGIDRL-UHFFFAOYSA-N -1 1 287.812 3.261 20 0 CGADMM CC[C@@H](NCc1ccc(C2CC2)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064787 621862070 /nfs/dbraw/zinc/86/20/70/621862070.db2.gz MQLGKFASFIANMJ-CQSZACIVSA-N -1 1 299.374 3.226 20 0 CGADMM Cc1ccccc1C1(NCc2ccc(C(=O)[O-])cn2)CCC1 ZINC000905726131 622101028 /nfs/dbraw/zinc/10/10/28/622101028.db2.gz IGOUSOQGUXZIEY-UHFFFAOYSA-N -1 1 296.370 3.257 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)Cc1sc(C2CCC2)nc1C ZINC000908351452 622344324 /nfs/dbraw/zinc/34/43/24/622344324.db2.gz FXLNXLHWJIRZLI-SNVBAGLBSA-N -1 1 296.436 3.355 20 0 CGADMM CC(C)(C)c1nc(C(=O)Nc2cc([O-])c(F)cc2F)co1 ZINC000909972947 622439649 /nfs/dbraw/zinc/43/96/49/622439649.db2.gz SDFBMWVLKARZDI-UHFFFAOYSA-N -1 1 296.273 3.208 20 0 CGADMM CC(C)(CC(=O)Nc1cc([O-])c(F)cc1F)C1CC1 ZINC000909987536 622443196 /nfs/dbraw/zinc/44/31/96/622443196.db2.gz XUVONBFJEYGIPV-UHFFFAOYSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@H](C(=O)Nc1cc([O-])c(F)cc1F)C1CCCC1 ZINC000909981951 622444626 /nfs/dbraw/zinc/44/46/26/622444626.db2.gz BSJVHKMGJLJMSF-QMMMGPOBSA-N -1 1 269.291 3.435 20 0 CGADMM CC1(C)CC[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988422 622446730 /nfs/dbraw/zinc/44/67/30/622446730.db2.gz JPXWTYUNOZCWIN-SSDOTTSWSA-N -1 1 255.264 3.045 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C1CC2(CC2(F)F)C1 ZINC000909988551 622447013 /nfs/dbraw/zinc/44/70/13/622447013.db2.gz PMHHCYKLSGUFGI-UHFFFAOYSA-N -1 1 289.228 3.044 20 0 CGADMM CC(=O)C(C)(C)CCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910983537 622513010 /nfs/dbraw/zinc/51/30/10/622513010.db2.gz XODLRYZRFRDHHB-UHFFFAOYSA-N -1 1 285.290 3.004 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@H]2CC2(Cl)Cl)n1 ZINC000916451900 624159803 /nfs/dbraw/zinc/15/98/03/624159803.db2.gz VRRDIJGZKSXQSS-SSDOTTSWSA-N -1 1 293.219 3.421 20 0 CGADMM CC(Cl)(Cl)C(=O)[N-]Nc1ccc(Cl)c(F)c1 ZINC000180792584 624773131 /nfs/dbraw/zinc/77/31/31/624773131.db2.gz MOEXTCUOGPNGCT-UHFFFAOYSA-N -1 1 285.533 3.116 20 0 CGADMM Cc1cnc(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)c([O-])c1 ZINC000922537210 626011120 /nfs/dbraw/zinc/01/11/20/626011120.db2.gz BNHBTHSBEVIMDI-WFASDCNBSA-N -1 1 294.354 3.170 20 0 CGADMM C[C@]1(C(=O)[N-]OC2CCCC2)C[C@@H]1c1ccccc1 ZINC000839717121 626781376 /nfs/dbraw/zinc/78/13/76/626781376.db2.gz AHUJMGGYRUUQDO-ZBFHGGJFSA-N -1 1 259.349 3.171 20 0 CGADMM CN(C)c1ccc(NC(=O)c2ccccc2[O-])cc1Cl ZINC000758002047 626820486 /nfs/dbraw/zinc/82/04/86/626820486.db2.gz CHLOSTMAGHLXHD-UHFFFAOYSA-N -1 1 290.750 3.364 20 0 CGADMM CC[C@@H](CC(=O)[N-]OCC(F)F)c1ccc(C)cc1 ZINC000759350904 626890316 /nfs/dbraw/zinc/89/03/16/626890316.db2.gz IQWAPZSAYNEANK-NSHDSACASA-N -1 1 271.307 3.192 20 0 CGADMM C[C@@H]1CCCc2ccccc2[C@H]1[N-]C(=O)C(F)(F)F ZINC000765743983 627268440 /nfs/dbraw/zinc/26/84/40/627268440.db2.gz HNPGQHNPJCVRKS-SKDRFNHKSA-N -1 1 271.282 3.379 20 0 CGADMM O=C(CC/C=C/c1ccccc1)[N-]OCC(F)(F)F ZINC000766777571 627360105 /nfs/dbraw/zinc/36/01/05/627360105.db2.gz WVKFMAJDNHNMST-XBXARRHUSA-N -1 1 273.254 3.090 20 0 CGADMM C/C(=C/C(=O)Nc1ccc(F)cc1[O-])C(C)(C)C ZINC000768257066 627470610 /nfs/dbraw/zinc/47/06/10/627470610.db2.gz CQKHFAVEGXFTTO-CLFYSBASSA-N -1 1 251.301 3.462 20 0 CGADMM Cc1cccc(C)c1CNC(=O)c1ccc([O-])c(F)c1 ZINC000768278942 627472337 /nfs/dbraw/zinc/47/23/37/627472337.db2.gz QZRDUHQJWJIGTP-UHFFFAOYSA-N -1 1 273.307 3.078 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC(C(F)F)CC1 ZINC000768289725 627472397 /nfs/dbraw/zinc/47/23/97/627472397.db2.gz GTJSUOAJOKDCMD-UHFFFAOYSA-N -1 1 289.709 3.163 20 0 CGADMM C[C@@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000769602556 627568891 /nfs/dbraw/zinc/56/88/91/627568891.db2.gz NXIQCCMMTFESDS-SECBINFHSA-N -1 1 253.729 3.060 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2c([O-])cccc2Cl)[C@@H]1C ZINC000769920269 627589671 /nfs/dbraw/zinc/58/96/71/627589671.db2.gz XNNIFFDUDHHGSN-NXEZZACHSA-N -1 1 267.756 3.306 20 0 CGADMM [O-]c1ccc(-c2noc(-c3scnc3Cl)n2)cc1F ZINC000771221010 627691347 /nfs/dbraw/zinc/69/13/47/627691347.db2.gz AJKRWKFSVYAHSU-UHFFFAOYSA-N -1 1 297.698 3.358 20 0 CGADMM C[C@@H](C(=O)[N-]Oc1ccccc1F)C1CCCC1 ZINC000874912447 634650926 /nfs/dbraw/zinc/65/09/26/634650926.db2.gz XELWGAJKZOVGIY-SNVBAGLBSA-N -1 1 251.301 3.062 20 0 CGADMM CCCOc1ccc(C=C2SC(=O)[N-]C2=O)cc1C ZINC000874929733 634655826 /nfs/dbraw/zinc/65/58/26/634655826.db2.gz OBMPWYLGYVQNLV-XYOKQWHBSA-N -1 1 277.345 3.108 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1ccccc1F ZINC000794855066 629589451 /nfs/dbraw/zinc/58/94/51/629589451.db2.gz VERSETGJGMCBJC-GHMZBOCLSA-N -1 1 253.317 3.023 20 0 CGADMM CCc1nc(SCOC2CCCCC2)[n-]c(=O)c1C ZINC000865371004 630080694 /nfs/dbraw/zinc/08/06/94/630080694.db2.gz RTSQJKNZKUXXJH-UHFFFAOYSA-N -1 1 282.409 3.452 20 0 CGADMM O=C(CC1CC(c2ccccc2)C1)[N-]OCC(F)(F)F ZINC000798980683 630132803 /nfs/dbraw/zinc/13/28/03/630132803.db2.gz XGWDVDUPRQZSIA-UHFFFAOYSA-N -1 1 287.281 3.180 20 0 CGADMM C[C@H]1CCC[C@@H]1CNC(=O)c1c([O-])cccc1Cl ZINC000799059520 630139928 /nfs/dbraw/zinc/13/99/28/630139928.db2.gz WAVQCUZOXKBSGE-VHSXEESVSA-N -1 1 267.756 3.212 20 0 CGADMM Cc1nc(C(=O)[N-]c2nnc(C3CCCCC3)s2)co1 ZINC000801600782 630347704 /nfs/dbraw/zinc/34/77/04/630347704.db2.gz OAOFXLMWVNUSFN-UHFFFAOYSA-N -1 1 292.364 3.135 20 0 CGADMM CC[C@H](C)CCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000803172393 630450812 /nfs/dbraw/zinc/45/08/12/630450812.db2.gz NXJHZEDSJCCCSU-QMMMGPOBSA-N -1 1 256.733 3.205 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC12CCCC2 ZINC000876400266 634827575 /nfs/dbraw/zinc/82/75/75/634827575.db2.gz XRFZMVRRNRYKMC-UHFFFAOYSA-N -1 1 294.782 3.274 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1Cc2ccncc2C1 ZINC000808103797 630623099 /nfs/dbraw/zinc/62/30/99/630623099.db2.gz MGUNWJDDLQTZCL-UHFFFAOYSA-N -1 1 290.322 3.096 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2csc3ccccc23)S1 ZINC000810193976 630852256 /nfs/dbraw/zinc/85/22/56/630852256.db2.gz ZVRDAOGQPIPDDD-YHYXMXQVSA-N -1 1 261.327 3.225 20 0 CGADMM Cc1ccc(CSc2nc(C)c(C)c(=O)[n-]2)c(Cl)n1 ZINC000840203672 630892652 /nfs/dbraw/zinc/89/26/52/630892652.db2.gz MOPAZVZSZAUXHF-UHFFFAOYSA-N -1 1 295.795 3.448 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C1(F)CCCCC1 ZINC000837086381 634852214 /nfs/dbraw/zinc/85/22/14/634852214.db2.gz LXLOIALACKJNNT-UHFFFAOYSA-N -1 1 273.254 3.281 20 0 CGADMM CSc1ccncc1[N-]C(=O)c1sccc1F ZINC000815761881 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C[C@H]1C[C@H](Nc2cc(Cl)[n-]c(=O)n2)C[C@@H](C)C1 ZINC000858420404 638711436 /nfs/dbraw/zinc/71/14/36/638711436.db2.gz NFCLJGRIGUHLNF-BRPSZJMVSA-N -1 1 255.749 3.072 20 0 CGADMM CC[C@@H]1CCC[C@@H](Nc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858419570 638711860 /nfs/dbraw/zinc/71/18/60/638711860.db2.gz ODZRCOBZGRLXQX-RKDXNWHRSA-N -1 1 255.749 3.216 20 0 CGADMM CCCCO[C@@H]1C[C@H](Nc2cc(Cl)[n-]c(=O)n2)C1(C)C ZINC000858436014 638717883 /nfs/dbraw/zinc/71/78/83/638717883.db2.gz WPOGXFYIUPFTRO-VHSXEESVSA-N -1 1 299.802 3.231 20 0 CGADMM CC(C)C[C@H]1CCCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858442888 638719708 /nfs/dbraw/zinc/71/97/08/638719708.db2.gz BUZYAKAHIXIYIM-SNVBAGLBSA-N -1 1 269.776 3.241 20 0 CGADMM CC1(C)CCC(CNc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858459570 638725093 /nfs/dbraw/zinc/72/50/93/638725093.db2.gz FMLHPORZSHWSDZ-UHFFFAOYSA-N -1 1 269.776 3.464 20 0 CGADMM CCC1(CC)[C@H](Nc2cc(Cl)[n-]c(=O)n2)[C@@H](C)[C@@H]1OC ZINC000858465337 638725921 /nfs/dbraw/zinc/72/59/21/638725921.db2.gz 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/nfs/dbraw/zinc/20/12/15/639201215.db2.gz AEXMBRKYOMSENW-LLVKDONJSA-N -1 1 297.345 3.331 20 0 CGADMM CC(C)c1noc(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000191543687 640317647 /nfs/dbraw/zinc/31/76/47/640317647.db2.gz MAMYFLIDYWXAFN-UHFFFAOYSA-N -1 1 285.706 3.303 20 0 CGADMM O=c1cc(-c2ccccc2)nc(SC2CCCC2)[n-]1 ZINC000016853545 641020969 /nfs/dbraw/zinc/02/09/69/641020969.db2.gz GORZTLGRQMHDAL-UHFFFAOYSA-N -1 1 272.373 3.472 20 0 CGADMM CC(=O)c1ccc2c(c1)nc(-c1cccc(F)c1[O-])n2C ZINC001250683952 805755312 /nfs/dbraw/zinc/75/53/12/805755312.db2.gz TXCVNOVUSPHMOH-UHFFFAOYSA-N -1 1 284.290 3.288 20 0 CGADMM Cn1c(-c2cccc(F)c2[O-])nc2ccc(F)c(F)c21 ZINC001250683784 805755334 /nfs/dbraw/zinc/75/53/34/805755334.db2.gz QJJAIXHXTPORSY-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM Cn1c2cc(F)ccc2nc1-c1cc(Cl)c([O-])cc1O ZINC001251083469 805844489 /nfs/dbraw/zinc/84/44/89/805844489.db2.gz URWVBGJCGUONJM-UHFFFAOYSA-N -1 1 292.697 3.444 20 0 CGADMM [O-]c1cnc(Cl)cc1-c1nc2cc(F)ccc2[nH]1 ZINC001251251894 805872029 /nfs/dbraw/zinc/87/20/29/805872029.db2.gz LMKOYVCUQFEHMU-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM [O-]c1cnc(Cl)cc1-c1nc2ccc(F)cc2[nH]1 ZINC001251251894 805872050 /nfs/dbraw/zinc/87/20/50/805872050.db2.gz LMKOYVCUQFEHMU-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM [O-]c1ccc(F)c(F)c1-c1nc2c(cccc2F)[nH]1 ZINC001251319033 805881676 /nfs/dbraw/zinc/88/16/76/805881676.db2.gz JTEBJXZAEIKTMT-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM [O-]c1ccc(F)c(-c2nc3c(cc(F)cc3F)[nH]2)c1F ZINC001251335348 805884616 /nfs/dbraw/zinc/88/46/16/805884616.db2.gz BUSMEFQHFFZAHG-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM COc1ccc(-c2nnc(-c3cc([O-])cc(F)c3)o2)cc1 ZINC001252021987 805974786 /nfs/dbraw/zinc/97/47/86/805974786.db2.gz JMIZAXLSYMSDSR-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM Cc1cc(C(=O)Nc2cc([O-])c(F)cc2F)cc(Cl)n1 ZINC001160916625 806321349 /nfs/dbraw/zinc/32/13/49/806321349.db2.gz MMILKBCSPRUXJU-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC001254601943 806459102 /nfs/dbraw/zinc/45/91/02/806459102.db2.gz KPDFKEJVVDHALB-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM [O-]c1cccc(-c2nnc(C3CCC3)o2)c1Cl ZINC001255252596 806584632 /nfs/dbraw/zinc/58/46/32/806584632.db2.gz YBJPNTFAVRHBBC-UHFFFAOYSA-N -1 1 250.685 3.363 20 0 CGADMM Cc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])o1 ZINC000053040035 798897634 /nfs/dbraw/zinc/89/76/34/798897634.db2.gz CSDOUMNDYKICQA-UHFFFAOYSA-N -1 1 281.311 3.377 20 0 CGADMM CCCCCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000070192665 798916025 /nfs/dbraw/zinc/91/60/25/798916025.db2.gz MUKARZGTMJGPON-UHFFFAOYSA-N -1 1 255.745 3.356 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])NC1CCCCC1 ZINC000169285288 799086972 /nfs/dbraw/zinc/08/69/72/799086972.db2.gz RYNDSHGZXJBJCY-UHFFFAOYSA-N -1 1 270.279 3.125 20 0 CGADMM O=C(N[C@@H]1CC2CCC1CC2)c1ccc(Cl)cc1[O-] ZINC000311696208 799225475 /nfs/dbraw/zinc/22/54/75/799225475.db2.gz LDZXFEIFTHHDNN-SRHKJQAYSA-N -1 1 279.767 3.354 20 0 CGADMM Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000386226367 799432665 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/nfs/dbraw/zinc/08/27/74/800082774.db2.gz OLKSEIPSNISILP-VIFPVBQESA-N -1 1 291.347 3.352 20 0 CGADMM Cc1cc(CN2CCc3ccsc3[C@H]2C)oc1C(=O)[O-] ZINC000712342500 800083888 /nfs/dbraw/zinc/08/38/88/800083888.db2.gz XJLYLKUGHXNHPM-SNVBAGLBSA-N -1 1 291.372 3.467 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@H]2CC3(CCC3)CO2)n1 ZINC001164550943 806955249 /nfs/dbraw/zinc/95/52/49/806955249.db2.gz BQFNLSGOOQFSDS-GFCCVEGCSA-N -1 1 294.420 3.186 20 0 CGADMM COC(=O)c1cc(-c2c([O-])cccc2Cl)ncc1F ZINC001244031555 803151951 /nfs/dbraw/zinc/15/19/51/803151951.db2.gz VWBKPUHITOBQIS-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM NC(=O)c1cc2cc(-c3cc(F)c([O-])c(F)c3)ccc2o1 ZINC001244098094 803186290 /nfs/dbraw/zinc/18/62/90/803186290.db2.gz XXZCLSQZUBONHD-UHFFFAOYSA-N -1 1 289.237 3.183 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1ncnc2ccoc21 ZINC001244464857 803383382 /nfs/dbraw/zinc/38/33/82/803383382.db2.gz VVMXZOSRYVAYOY-UHFFFAOYSA-N -1 1 296.204 3.494 20 0 CGADMM Cc1cc(-c2cc3cncnc3cn2)cc(Cl)c1[O-] ZINC001244531439 803423115 /nfs/dbraw/zinc/42/31/15/803423115.db2.gz KHPCNODXHCFGDX-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM Cc1cc(-c2ncc(CF)cn2)cc(Cl)c1[O-] ZINC001244537715 803425039 /nfs/dbraw/zinc/42/50/39/803425039.db2.gz CRCXQOHSPVLSJY-UHFFFAOYSA-N -1 1 252.676 3.281 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ncc3cccnc3n2)c1F ZINC001244539099 803426624 /nfs/dbraw/zinc/42/66/24/803426624.db2.gz RGKLDFHIKRORNG-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM [O-]c1ccc(Cl)c(-c2nncc3cnccc32)c1F ZINC001244539077 803427066 /nfs/dbraw/zinc/42/70/66/803427066.db2.gz QJJWPSXNSCMTHI-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM COCc1ccnc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244538916 803427198 /nfs/dbraw/zinc/42/71/98/803427198.db2.gz QDASGBQKFPTVQB-UHFFFAOYSA-N -1 1 267.687 3.393 20 0 CGADMM Cc1cn2cc(-c3c(Cl)ccc([O-])c3F)cnc2n1 ZINC001244540096 803427881 /nfs/dbraw/zinc/42/78/81/803427881.db2.gz PFIXFUQWNAEOET-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM O=C1NCc2cc(-c3c(Cl)ccc([O-])c3F)ccc21 ZINC001244540559 803428496 /nfs/dbraw/zinc/42/84/96/803428496.db2.gz YVCFUMYASVKHNV-UHFFFAOYSA-N -1 1 277.682 3.095 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cncc3ncoc32)c1F ZINC001244541843 803429401 /nfs/dbraw/zinc/42/94/01/803429401.db2.gz IDNQYRGIKYQDLT-UHFFFAOYSA-N -1 1 264.643 3.388 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cccc(-c3nn[nH]n3)c2)c1F ZINC001244542577 803429501 /nfs/dbraw/zinc/42/95/01/803429501.db2.gz NSZKMKCPHUKBHQ-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM COC(=O)c1ccc(-c2c(Cl)ccc([O-])c2F)c(C)n1 ZINC001244542705 803429778 /nfs/dbraw/zinc/42/97/78/803429778.db2.gz OYVJKQZAVQBWPE-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM Cc1cc(-c2ccc3ncnn3c2F)cc(Cl)c1[O-] ZINC001244553923 803435066 /nfs/dbraw/zinc/43/50/66/803435066.db2.gz JCUSRMBYMJQRDW-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM O=C([O-])c1cc(-c2ccc3cncn3c2)c(F)cc1Cl ZINC001244614414 803465351 /nfs/dbraw/zinc/46/53/51/803465351.db2.gz UXWVUYJUCSYJRG-UHFFFAOYSA-N -1 1 290.681 3.492 20 0 CGADMM [O-]c1c(Cl)ccc(-c2nccc3[nH]cnc32)c1F ZINC001244629558 803472995 /nfs/dbraw/zinc/47/29/95/803472995.db2.gz BSRXSJQHMRAEFJ-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM Nc1ccc(F)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001211837809 814947169 /nfs/dbraw/zinc/94/71/69/814947169.db2.gz XNCLFELPQPFBLS-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1cc(-c2nnco2)ccn1 ZINC001245048851 803621150 /nfs/dbraw/zinc/62/11/50/803621150.db2.gz BASXMIPFZJPAGO-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM NC(=O)c1cc(-c2cc(Cl)ccc2[O-])nc2ccccc21 ZINC001245050214 803622191 /nfs/dbraw/zinc/62/21/91/803622191.db2.gz QBEZPWKTTNVINK-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1cc(N2CCCCC2)ncn1 ZINC001245050607 803623395 /nfs/dbraw/zinc/62/33/95/803623395.db2.gz WJXCJOCLSHOIPC-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cccc3c[nH]nc32)c1 ZINC001136041005 803626264 /nfs/dbraw/zinc/62/62/64/803626264.db2.gz LLLOJKTWBCUPHG-UHFFFAOYSA-N -1 1 299.355 3.243 20 0 CGADMM O=C(NCc1cccc2cccnc21)c1cccc([O-])c1F ZINC001136468184 803644232 /nfs/dbraw/zinc/64/42/32/803644232.db2.gz CVOCOTZLWGIQAL-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001136488386 803644967 /nfs/dbraw/zinc/64/49/67/803644967.db2.gz MLEFWSOINIKVRC-MCIONIFRSA-N -1 1 290.407 3.225 20 0 CGADMM CC(C)CNC(=S)Nc1cc([O-])c(Cl)cc1F ZINC001245241222 803675884 /nfs/dbraw/zinc/67/58/84/803675884.db2.gz JFZXRXIHBGXYHE-UHFFFAOYSA-N -1 1 276.764 3.127 20 0 CGADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])[C@@H](C)c1ccccc1 ZINC001137134870 803685848 /nfs/dbraw/zinc/68/58/48/803685848.db2.gz MYEISCYVIFYVNY-NEPJUHHUSA-N -1 1 287.334 3.453 20 0 CGADMM O=C(Nc1cccc(Cl)c1O)c1cccc(F)c1[O-] ZINC001137933026 803800550 /nfs/dbraw/zinc/80/05/50/803800550.db2.gz RLZYAYZUGZTHKP-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM CCC1(CC)CN(C(=O)c2ccc(F)c([O-])c2)CCS1 ZINC001138083578 803848858 /nfs/dbraw/zinc/84/88/58/803848858.db2.gz WHGCOVYAIOFRLT-UHFFFAOYSA-N -1 1 297.395 3.279 20 0 CGADMM Oc1cccnc1C[N@@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001138395151 803912287 /nfs/dbraw/zinc/91/22/87/803912287.db2.gz UXEJSWLGLDNLCL-HNNXBMFYSA-N -1 1 290.313 3.403 20 0 CGADMM COc1cc(OC)nc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245828581 803982750 /nfs/dbraw/zinc/98/27/50/803982750.db2.gz VQXYAISZGDEHEC-UHFFFAOYSA-N -1 1 283.686 3.264 20 0 CGADMM COC(=O)c1cc(-c2c(F)ccc([O-])c2Cl)ncc1F ZINC001245827594 803982815 /nfs/dbraw/zinc/98/28/15/803982815.db2.gz NRYXBQPPIQETIS-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM Cc1nc(-c2c(F)ccc([O-])c2Cl)cc(N(C)C)n1 ZINC001245827187 803983499 /nfs/dbraw/zinc/98/34/99/803983499.db2.gz MMZCEUGEYUJZGG-UHFFFAOYSA-N -1 1 281.718 3.016 20 0 CGADMM NC(=O)Nc1ccccc1-c1c(F)ccc([O-])c1Cl ZINC001245832421 803986943 /nfs/dbraw/zinc/98/69/43/803986943.db2.gz XKQIVXRMBLKQCF-UHFFFAOYSA-N -1 1 280.686 3.342 20 0 CGADMM [O-]c1ccc(F)c(-c2cncc3nccnc32)c1Cl ZINC001245832735 803988318 /nfs/dbraw/zinc/98/83/18/803988318.db2.gz UBNYIHLZLOGBJD-UHFFFAOYSA-N -1 1 275.670 3.190 20 0 CGADMM CNC(=O)Cc1ccccc1-c1c(F)ccc([O-])c1Cl ZINC001245833173 803988522 /nfs/dbraw/zinc/98/85/22/803988522.db2.gz SWCGWVKEPALGDM-UHFFFAOYSA-N -1 1 293.725 3.140 20 0 CGADMM CC(=O)Nc1cccc(-n2[n-]c(CC(C)(C)C)cc2=O)c1 ZINC001245933008 804062090 /nfs/dbraw/zinc/06/20/90/804062090.db2.gz SIECWEYQLWUFNE-UHFFFAOYSA-N -1 1 287.363 3.125 20 0 CGADMM COc1ccc(-n2[n-]c(CC(C)C)cc2=O)c(C)c1 ZINC001245933661 804062703 /nfs/dbraw/zinc/06/27/03/804062703.db2.gz XHAANDZBZDCYSF-UHFFFAOYSA-N -1 1 260.337 3.093 20 0 CGADMM Cc1ccc(-n2[n-]c(CC3CCC3)cc2=O)cc1F ZINC001245937946 804070455 /nfs/dbraw/zinc/07/04/55/804070455.db2.gz WECWDMIEJBILTC-UHFFFAOYSA-N -1 1 260.312 3.368 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc(F)c([O-])c2)[C@H]1C ZINC001139522946 804201210 /nfs/dbraw/zinc/20/12/10/804201210.db2.gz DYLAWPITBUACAR-NTZNESFSSA-N -1 1 279.355 3.333 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1scnc1Cl ZINC001140653211 804484738 /nfs/dbraw/zinc/48/47/38/804484738.db2.gz ZJSVPHDCVYZRPP-UHFFFAOYSA-N -1 1 290.678 3.033 20 0 CGADMM O=C1CCN(Cc2ccc([O-])c(F)c2F)[C@@H]2CCCC[C@@H]12 ZINC001140890184 804542017 /nfs/dbraw/zinc/54/20/17/804542017.db2.gz YCKIGFJOYFDIRS-VXGBXAGGSA-N -1 1 295.329 3.004 20 0 CGADMM O=C(NCC1(C2CCC2)CCC1)c1cccc([O-])c1F ZINC001141873308 804676622 /nfs/dbraw/zinc/67/66/22/804676622.db2.gz SHYXKUWOSYHZLR-UHFFFAOYSA-N -1 1 277.339 3.232 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2ccc3cnccc3c2)no1 ZINC001212480936 815036223 /nfs/dbraw/zinc/03/62/23/815036223.db2.gz QJUCXJCXLHNLHD-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2cncc3ccccc32)no1 ZINC001212482174 815036258 /nfs/dbraw/zinc/03/62/58/815036258.db2.gz FXGUNPLZDYUBNU-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM COc1cccc2c1CN(Cc1c(F)cc([O-])cc1F)C2 ZINC001144559907 805006591 /nfs/dbraw/zinc/00/65/91/805006591.db2.gz QUZSXLKNCAMINM-UHFFFAOYSA-N -1 1 291.297 3.195 20 0 CGADMM C[C@@H]1CCN(Cc2cc(F)c([O-])cc2F)CC1(F)F ZINC001144648255 805021584 /nfs/dbraw/zinc/02/15/84/805021584.db2.gz RQSWDDJPEQAXAQ-MRVPVSSYSA-N -1 1 277.261 3.148 20 0 CGADMM Cc1cc([C@@H]2CCCN2Cc2cc(F)c([O-])cc2F)no1 ZINC001144646622 805021606 /nfs/dbraw/zinc/02/16/06/805021606.db2.gz DWBIWHOWLHZWLV-AWEZNQCLSA-N -1 1 294.301 3.304 20 0 CGADMM O=C(CC(C1CC1)C1CC1)Nc1c([O-])cccc1F ZINC001146491905 805070427 /nfs/dbraw/zinc/07/04/27/805070427.db2.gz GBKRFJGORRZAKT-UHFFFAOYSA-N -1 1 263.312 3.296 20 0 CGADMM Cn1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001147011331 805102882 /nfs/dbraw/zinc/10/28/82/805102882.db2.gz BIEYHXBGKXEDDO-UHFFFAOYSA-N -1 1 284.237 3.002 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCCC(C)(C)CC2)c1 ZINC001148371886 805176915 /nfs/dbraw/zinc/17/69/15/805176915.db2.gz RHPVUOARGPFDEQ-UHFFFAOYSA-N -1 1 289.375 3.165 20 0 CGADMM Cc1c(N)c(F)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001249642499 805198613 /nfs/dbraw/zinc/19/86/13/805198613.db2.gz QUBXDVQZRFPABW-UHFFFAOYSA-N -1 1 268.238 3.444 20 0 CGADMM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ncc2ccccc2c1[O-] ZINC001148636470 805202259 /nfs/dbraw/zinc/20/22/59/805202259.db2.gz IKUSJVOWNJABAY-MBNYWOFBSA-N -1 1 296.370 3.106 20 0 CGADMM Cc1cnc(F)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001151583354 805299123 /nfs/dbraw/zinc/29/91/23/805299123.db2.gz YMMLUIDIGSLWPI-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM O=C(Cc1ccc(Cl)cc1)Nc1cccc(F)c1[O-] ZINC001151772403 805311820 /nfs/dbraw/zinc/31/18/20/805311820.db2.gz PSAJAADWOYOHIG-UHFFFAOYSA-N -1 1 279.698 3.366 20 0 CGADMM CSc1cc(C(=O)Nc2cccc(F)c2[O-])c(C)o1 ZINC001151780270 805313135 /nfs/dbraw/zinc/31/31/35/805313135.db2.gz XZDKATVVIIHBLB-UHFFFAOYSA-N -1 1 281.308 3.407 20 0 CGADMM Cc1ncccc1Nc1cc([O-])c(F)c(F)c1F ZINC001249958474 805323998 /nfs/dbraw/zinc/32/39/98/805323998.db2.gz OFAYWNFCKYQFCT-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM O=C1OCc2ccc(Nc3cc([O-])c(F)c(F)c3F)cc21 ZINC001249961659 805329396 /nfs/dbraw/zinc/32/93/96/805329396.db2.gz AEAUENGPIBBORH-UHFFFAOYSA-N -1 1 295.216 3.224 20 0 CGADMM Cn1cc2cc(Nc3cc([O-])c(F)c(F)c3F)ccc2n1 ZINC001249962329 805329699 /nfs/dbraw/zinc/32/96/99/805329699.db2.gz KDANECJESGGEJW-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM [O-]c1cc(Nc2ccccc2CO)c(F)c(F)c1F ZINC001249963266 805330971 /nfs/dbraw/zinc/33/09/71/805330971.db2.gz UTILFQOANCIOJM-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM CC(=O)Oc1ccc(Nc2cc([O-])c(F)c(F)c2F)cc1 ZINC001249965721 805332491 /nfs/dbraw/zinc/33/24/91/805332491.db2.gz INMWQUAHWZEAMH-UHFFFAOYSA-N -1 1 297.232 3.478 20 0 CGADMM CCOC(=O)CCCCc1cc(Cl)c([O-])cc1F ZINC001249981383 805341073 /nfs/dbraw/zinc/34/10/73/805341073.db2.gz MJHJUMYDXUYHGZ-UHFFFAOYSA-N -1 1 274.719 3.461 20 0 CGADMM CCOC(=O)CCCCc1cc([O-])c(F)c(F)c1F ZINC001249981770 805342926 /nfs/dbraw/zinc/34/29/26/805342926.db2.gz WVKWYPVMWFLLBA-UHFFFAOYSA-N -1 1 276.254 3.085 20 0 CGADMM Cc1ncc(Nc2cc(Cl)c([O-])cc2F)cn1 ZINC001250020829 805372048 /nfs/dbraw/zinc/37/20/48/805372048.db2.gz SKORKRLODSDCBM-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM O=C1Cc2cc(Nc3cc(Cl)c([O-])cc3F)ccc2N1 ZINC001250022763 805373828 /nfs/dbraw/zinc/37/38/28/805373828.db2.gz UKOOXGJPTYVBOU-UHFFFAOYSA-N -1 1 292.697 3.423 20 0 CGADMM O=C1NCc2cc(Nc3cc(Cl)c([O-])cc3F)ccc21 ZINC001250023952 805375312 /nfs/dbraw/zinc/37/53/12/805375312.db2.gz JSALHFWNALOCLU-UHFFFAOYSA-N -1 1 292.697 3.172 20 0 CGADMM CSc1nc(Nc2ccc(Cl)nc2C)cc(=O)[n-]1 ZINC001250151504 805445916 /nfs/dbraw/zinc/44/59/16/805445916.db2.gz CKNNAVGWTZQGTI-UHFFFAOYSA-N -1 1 282.756 3.005 20 0 CGADMM CC(C)[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001154485495 805458855 /nfs/dbraw/zinc/45/88/55/805458855.db2.gz FIGIEBOIKBDXTA-CYBMUJFWSA-N -1 1 295.810 3.483 20 0 CGADMM Nc1cc2cn(-c3ccc(Cl)c([O-])c3)nc2cc1F ZINC001212593327 815080169 /nfs/dbraw/zinc/08/01/69/815080169.db2.gz LWGKRQDGORISFO-UHFFFAOYSA-N -1 1 277.686 3.106 20 0 CGADMM COCCn1ncc(C)c1Nc1c(F)ccc([O-])c1Cl ZINC001250234234 805509817 /nfs/dbraw/zinc/50/98/17/805509817.db2.gz MEWDGOSACKRMTG-UHFFFAOYSA-N -1 1 299.733 3.080 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2ccc3ncsc3c2)no1 ZINC001212721209 815114172 /nfs/dbraw/zinc/11/41/72/815114172.db2.gz DGCITFSDZLAYRG-UHFFFAOYSA-N -1 1 296.311 3.114 20 0 CGADMM COc1ccc(-c2nnc(CCC(C)C)o2)c([O-])c1 ZINC001258264097 807387884 /nfs/dbraw/zinc/38/78/84/807387884.db2.gz JXQRNVKOXWSAIN-UHFFFAOYSA-N -1 1 262.309 3.039 20 0 CGADMM CC(C)CCc1nnc(-c2ncc(C(F)(F)F)[n-]2)o1 ZINC001258322998 807409744 /nfs/dbraw/zinc/40/97/44/807409744.db2.gz RXDMPQGLKGEYKO-UHFFFAOYSA-N -1 1 274.246 3.067 20 0 CGADMM CC(C)CCc1nnc(-c2ccc([O-])c(F)c2)o1 ZINC001258350806 807423849 /nfs/dbraw/zinc/42/38/49/807423849.db2.gz QFPADGPGSKQMNY-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM O=S(=O)([N-]c1cc(F)ccc1OC1CCCC1)C1CC1 ZINC001259276493 807677375 /nfs/dbraw/zinc/67/73/75/807677375.db2.gz NPYKMMZWUFNYLW-UHFFFAOYSA-N -1 1 299.367 3.051 20 0 CGADMM Cc1ccnc2c([N-]S(=O)(=O)C3CCCC3)cccc12 ZINC001259802184 807686706 /nfs/dbraw/zinc/68/67/06/807686706.db2.gz YADMSMVPKFMPNF-UHFFFAOYSA-N -1 1 290.388 3.228 20 0 CGADMM O=c1[nH]c(SCc2ccccc2C2CC2)nc2n[nH]cc21 ZINC001261553554 807757210 /nfs/dbraw/zinc/75/72/10/807757210.db2.gz DKRRUECBEDEWHA-UHFFFAOYSA-N -1 1 298.371 3.228 20 0 CGADMM Cc1cc(F)ncc1Nc1cc([O-])c(F)c(F)c1 ZINC001212816660 815146694 /nfs/dbraw/zinc/14/66/94/815146694.db2.gz DCJUQVPOZVWEQF-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM Cc1cc(Nc2[n-]c(=O)nc3nc[nH]c32)cc(C(C)(C)C)c1 ZINC001170229725 807797638 /nfs/dbraw/zinc/79/76/38/807797638.db2.gz YWTDVAXDSMYEMU-UHFFFAOYSA-N -1 1 297.362 3.408 20 0 CGADMM C[C@H](Oc1ccccc1F)C(=O)Nc1cccc(F)c1[O-] ZINC001171632562 808109614 /nfs/dbraw/zinc/10/96/14/808109614.db2.gz FZDJDABHRMQNKD-VIFPVBQESA-N -1 1 293.269 3.076 20 0 CGADMM CCCc1[nH]ccc1C(=O)Nc1cccc(F)c1[O-] ZINC001171637953 808109632 /nfs/dbraw/zinc/10/96/32/808109632.db2.gz QJRUBPMAUSPHHS-UHFFFAOYSA-N -1 1 262.284 3.064 20 0 CGADMM [O-]c1c(Br)c(F)ccc1Nc1cccnc1 ZINC001173857126 808716956 /nfs/dbraw/zinc/71/69/56/808716956.db2.gz PBPUJUFHTNBFEB-UHFFFAOYSA-N -1 1 283.100 3.432 20 0 CGADMM [O-]c1cc(F)c(Nc2c(F)cc(O)cc2F)cc1F ZINC001175099385 809269584 /nfs/dbraw/zinc/26/95/84/809269584.db2.gz DKOVVBJQUZSHOV-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM CSc1nc(Nc2c(F)cc(F)cc2F)cc(=O)[n-]1 ZINC001175144334 809287741 /nfs/dbraw/zinc/28/77/41/809287741.db2.gz MCWHTLDUGNQGGG-UHFFFAOYSA-N -1 1 287.266 3.065 20 0 CGADMM O=C([O-])c1ccc(Nc2ccc3nccn3c2)cc1Cl ZINC001175315324 809351474 /nfs/dbraw/zinc/35/14/74/809351474.db2.gz DQGXOFSTDCDZIS-UHFFFAOYSA-N -1 1 287.706 3.430 20 0 CGADMM COc1ncc([N-]c2nc(C(F)(F)F)cs2)s1 ZINC001175387592 809386874 /nfs/dbraw/zinc/38/68/74/809386874.db2.gz YKVXGPPHGUEQRW-UHFFFAOYSA-N -1 1 281.284 3.371 20 0 CGADMM O=C(NC1CCCCCCC1)c1ccc(F)c([O-])c1 ZINC001290075296 809399880 /nfs/dbraw/zinc/39/98/80/809399880.db2.gz RJCJDAUAAAAKFI-UHFFFAOYSA-N -1 1 265.328 3.374 20 0 CGADMM CCC(C)=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001290777897 809416361 /nfs/dbraw/zinc/41/63/61/809416361.db2.gz MBJJEBCFVQEBKD-CSKARUKUSA-N -1 1 271.320 3.077 20 0 CGADMM CCC(C)=CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001290777904 809416640 /nfs/dbraw/zinc/41/66/40/809416640.db2.gz MBJJEBCFVQEBKD-NTMALXAHSA-N -1 1 271.320 3.077 20 0 CGADMM CC(C)CCc1ccc(NC(=O)c2cnncc2[O-])cc1 ZINC001292368843 809430614 /nfs/dbraw/zinc/43/06/14/809430614.db2.gz GJFYIKFCQNFZFF-UHFFFAOYSA-N -1 1 285.347 3.023 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)c([O-])c2)[C@@H](C)C1 ZINC001293495338 809450116 /nfs/dbraw/zinc/45/01/16/809450116.db2.gz DBNOBNDBVCZAAT-GBIKHYSHSA-N -1 1 265.328 3.086 20 0 CGADMM CSc1c(F)cc(NC(=O)c2ccc([O-])cn2)cc1F ZINC001296301021 809501762 /nfs/dbraw/zinc/50/17/62/809501762.db2.gz VWGARXXEOGUCSG-UHFFFAOYSA-N -1 1 296.298 3.040 20 0 CGADMM CC[C@H](C)[C@@H](NC(=O)c1cccc([O-])c1F)C(F)(F)F ZINC001297105022 809513088 /nfs/dbraw/zinc/51/30/88/809513088.db2.gz NBTMLNFYSSIWNC-WRWORJQWSA-N -1 1 293.260 3.238 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1cnn(C2CCC2)c1 ZINC001175761026 809535502 /nfs/dbraw/zinc/53/55/02/809535502.db2.gz UEJASMJAZCAJQS-UHFFFAOYSA-N -1 1 297.314 3.164 20 0 CGADMM O=C(N[C@@H]1C[C@H]1c1ccco1)c1ccc2ccccc2c1[O-] ZINC001299289995 809547118 /nfs/dbraw/zinc/54/71/18/809547118.db2.gz QROCSAXLADIXCD-HUUCEWRRSA-N -1 1 293.322 3.424 20 0 CGADMM Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC001299249026 809547710 /nfs/dbraw/zinc/54/77/10/809547710.db2.gz MXEMZHNQMFALAU-NWDGAFQWSA-N -1 1 276.380 3.040 20 0 CGADMM CC1(C)C[C@]1(C)C[N-]S(=O)(=O)c1sccc1Cl ZINC001213560737 815303722 /nfs/dbraw/zinc/30/37/22/815303722.db2.gz REAHMYHNQFZJIA-LLVKDONJSA-N -1 1 293.841 3.116 20 0 CGADMM [O-]c1cc(Nc2ccc(O)cc2F)cc(F)c1F ZINC001176413310 809689859 /nfs/dbraw/zinc/68/98/59/809689859.db2.gz HKRUFXLRBVAOQR-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM Cc1cc(C)nc(Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC001213619776 815312192 /nfs/dbraw/zinc/31/21/92/815312192.db2.gz XMUKLUOCARTYRW-UHFFFAOYSA-N -1 1 270.332 3.459 20 0 CGADMM Cc1cnc(Nc2c(F)cc(F)c([O-])c2F)c(Cl)n1 ZINC001176663061 809737181 /nfs/dbraw/zinc/73/71/81/809737181.db2.gz AYSRFOAKSOKWGA-UHFFFAOYSA-N -1 1 289.644 3.305 20 0 CGADMM CCn1cc(Nc2c(F)cc(F)c([O-])c2F)c(C)n1 ZINC001176664381 809737864 /nfs/dbraw/zinc/73/78/64/809737864.db2.gz XEUGWYQFAHCJCJ-UHFFFAOYSA-N -1 1 271.242 3.078 20 0 CGADMM Cn1cnc2cccc(Nc3c(F)cc(F)c([O-])c3F)c21 ZINC001176670241 809740282 /nfs/dbraw/zinc/74/02/82/809740282.db2.gz BVRYDENCBSMUIJ-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccc(CO)c2)c1F ZINC001176673279 809741177 /nfs/dbraw/zinc/74/11/77/809741177.db2.gz RCZYURAJYKGTAP-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM CCn1ncc(NC(=O)c2ccc3ccccc3c2[O-])c1C ZINC001176890761 809767868 /nfs/dbraw/zinc/76/78/68/809767868.db2.gz OEFQGCKWTMDHCZ-UHFFFAOYSA-N -1 1 295.342 3.323 20 0 CGADMM CC(C)(C)c1nnc([N-]c2ccc(Cl)cc2N)o1 ZINC001213644323 815316387 /nfs/dbraw/zinc/31/63/87/815316387.db2.gz QVADGTWDDROTKH-UHFFFAOYSA-N -1 1 266.732 3.346 20 0 CGADMM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc([O-])cn1 ZINC001178524404 809873920 /nfs/dbraw/zinc/87/39/20/809873920.db2.gz UIRBIEGMVVUPBA-DYVFJYSZSA-N -1 1 296.370 3.196 20 0 CGADMM O=C(Nc1ccc(-c2ccon2)cc1)c1ccc(F)c([O-])c1 ZINC001178641846 809880559 /nfs/dbraw/zinc/88/05/59/809880559.db2.gz DWKRKTHPBMRYHZ-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM Cc1cccc(Cl)c1NC(=O)Nc1ncccc1[O-] ZINC001183716553 810157962 /nfs/dbraw/zinc/15/79/62/810157962.db2.gz WBFYMSJYJSVGNB-UHFFFAOYSA-N -1 1 277.711 3.393 20 0 CGADMM O=C(NCc1ccc(F)cc1)Nc1c(F)cc([O-])cc1F ZINC001185475760 810267773 /nfs/dbraw/zinc/26/77/73/810267773.db2.gz UUWVFMIGCDFDLK-UHFFFAOYSA-N -1 1 296.248 3.131 20 0 CGADMM O=C(NCc1ccc(F)cc1)Nc1cc(F)cc(F)c1[O-] ZINC001185480219 810268958 /nfs/dbraw/zinc/26/89/58/810268958.db2.gz PGTSDRVAHVTXNI-UHFFFAOYSA-N -1 1 296.248 3.131 20 0 CGADMM CC[C@@H](C)CCC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001185564061 810275192 /nfs/dbraw/zinc/27/51/92/810275192.db2.gz ZKPXBYMTNOXIRZ-GFCCVEGCSA-N -1 1 287.363 3.343 20 0 CGADMM O=S(=O)([N-]c1cc(F)cc(F)c1Cl)c1ccoc1 ZINC001188610021 810492975 /nfs/dbraw/zinc/49/29/75/810492975.db2.gz FATAOVWBONEOFV-UHFFFAOYSA-N -1 1 293.678 3.012 20 0 CGADMM Cc1cc(F)c([N-]S(=O)(=O)c2ccoc2)cc1Cl ZINC001188616020 810494279 /nfs/dbraw/zinc/49/42/79/810494279.db2.gz ZVDKIROEPPMOQG-UHFFFAOYSA-N -1 1 289.715 3.181 20 0 CGADMM Cc1nc(SCCSC(F)(F)F)[n-]c(=O)c1C ZINC001189062135 810540508 /nfs/dbraw/zinc/54/05/08/810540508.db2.gz UUWFTRJHIRTPKW-UHFFFAOYSA-N -1 1 284.328 3.144 20 0 CGADMM O=S(=O)([N-]c1ccc2sccc2c1)c1ccncc1 ZINC001190896988 810655525 /nfs/dbraw/zinc/65/55/25/810655525.db2.gz ZJJDHGXSDMKALT-UHFFFAOYSA-N -1 1 290.369 3.097 20 0 CGADMM Cc1cccc(CNC(=O)Nc2cc(Cl)ncc2[O-])c1 ZINC001190968240 810660124 /nfs/dbraw/zinc/66/01/24/810660124.db2.gz BGUFUWPAELPPSM-UHFFFAOYSA-N -1 1 291.738 3.071 20 0 CGADMM CSc1nc(Nc2ccc(Cl)cc2O)cc(=O)[n-]1 ZINC001214402791 815404137 /nfs/dbraw/zinc/40/41/37/815404137.db2.gz UQLNMKUANWSFAJ-UHFFFAOYSA-N -1 1 283.740 3.007 20 0 CGADMM O=C(Nc1cc(F)c(F)cc1[O-])OC1CCCC1 ZINC001193562611 810908205 /nfs/dbraw/zinc/90/82/05/810908205.db2.gz HQKRVIKUOKSRDH-UHFFFAOYSA-N -1 1 257.236 3.162 20 0 CGADMM NC(=O)c1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1F ZINC001214493969 815417903 /nfs/dbraw/zinc/41/79/03/815417903.db2.gz FYYKKKLRTHPMHH-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM CC(C)(C)COC(=O)Nc1cc([O-])c(F)cc1F ZINC001194386599 811065008 /nfs/dbraw/zinc/06/50/08/811065008.db2.gz JFTLZNKVVJHJJX-UHFFFAOYSA-N -1 1 259.252 3.265 20 0 CGADMM O=C([N-]c1cnoc1)c1cc(Cl)c(Cl)s1 ZINC001195170141 811221778 /nfs/dbraw/zinc/22/17/78/811221778.db2.gz XFNWRFRWMWMXBE-UHFFFAOYSA-N -1 1 263.105 3.295 20 0 CGADMM O=C(Nc1ccc2c(c1)N=NC2)c1cc([O-])cnc1Cl ZINC001195305882 811240757 /nfs/dbraw/zinc/24/07/57/811240757.db2.gz JQHOZBUSHDKPOI-UHFFFAOYSA-N -1 1 288.694 3.290 20 0 CGADMM CCC1(NC(=O)c2cc([O-])cnc2Cl)CCCCC1 ZINC001195312844 811241565 /nfs/dbraw/zinc/24/15/65/811241565.db2.gz LENFXARFUAHXEZ-UHFFFAOYSA-N -1 1 282.771 3.283 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cccc(F)c1CO ZINC001214613863 815432736 /nfs/dbraw/zinc/43/27/36/815432736.db2.gz OJIJAIRLGLTMTQ-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(C)c(C)cc1C ZINC001195490120 811261749 /nfs/dbraw/zinc/26/17/49/811261749.db2.gz DLGBCGLNVBPDKI-UHFFFAOYSA-N -1 1 266.366 3.055 20 0 CGADMM COc1cccc(NC(=S)Nc2cccc(F)c2[O-])c1 ZINC001196050241 811313171 /nfs/dbraw/zinc/31/31/71/811313171.db2.gz XNIRNUSFFDYTQG-UHFFFAOYSA-N -1 1 292.335 3.349 20 0 CGADMM C=CS(=O)(=O)[N-]c1cccc(F)c1OCC(C)(C)C ZINC001198620559 811526208 /nfs/dbraw/zinc/52/62/08/811526208.db2.gz MUKXNQLTYUDBIC-UHFFFAOYSA-N -1 1 287.356 3.136 20 0 CGADMM COc1ccc(NC(=O)Nc2cccc(F)c2[O-])cc1 ZINC001202394120 812084679 /nfs/dbraw/zinc/08/46/79/812084679.db2.gz JTMHYPPOVJKQCM-UHFFFAOYSA-N -1 1 276.267 3.184 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccccn3)no2)c(Cl)c1 ZINC001215345729 815507763 /nfs/dbraw/zinc/50/77/63/815507763.db2.gz GRXXLUMTCSKYAW-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc(F)c2n[nH]cc21 ZINC001215382211 815513235 /nfs/dbraw/zinc/51/32/35/815513235.db2.gz CUCOUMCVJMAXGZ-UHFFFAOYSA-N -1 1 279.221 3.429 20 0 CGADMM Nc1ccc(Nc2cc([O-])c(Cl)cc2F)c(F)n1 ZINC001203618065 812407862 /nfs/dbraw/zinc/40/78/62/812407862.db2.gz JWBJEPAIBJETAO-UHFFFAOYSA-N -1 1 271.654 3.045 20 0 CGADMM CSc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)c(C)c1 ZINC001215477075 815523350 /nfs/dbraw/zinc/52/33/50/815523350.db2.gz FRYVLKUHWRPPBU-UHFFFAOYSA-N -1 1 285.372 3.344 20 0 CGADMM O=C([O-])c1c(F)ccc(-c2ccc3[nH]cnc3c2)c1F ZINC001205089313 812856958 /nfs/dbraw/zinc/85/69/58/812856958.db2.gz RYQDUFHPEASGRR-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccnc4ccccc43)no2)nn1 ZINC001205299491 812939075 /nfs/dbraw/zinc/93/90/75/812939075.db2.gz VECDMQOEPOZCCQ-UHFFFAOYSA-N -1 1 291.270 3.008 20 0 CGADMM C[S@@](=O)c1cccc(NCc2ccc([O-])c(F)c2F)c1 ZINC001205918253 813134318 /nfs/dbraw/zinc/13/43/18/813134318.db2.gz UXBSQSLWOCGGBC-HXUWFJFHSA-N -1 1 297.326 3.020 20 0 CGADMM C[S@](=O)c1cccc(NCc2ccc([O-])c(F)c2F)c1 ZINC001205918251 813134722 /nfs/dbraw/zinc/13/47/22/813134722.db2.gz UXBSQSLWOCGGBC-FQEVSTJZSA-N -1 1 297.326 3.020 20 0 CGADMM CCCCOC(=O)Nc1ccc([N-]c2nnco2)cc1 ZINC001209913619 814197533 /nfs/dbraw/zinc/19/75/33/814197533.db2.gz UMFQYQOLWASAJL-UHFFFAOYSA-N -1 1 276.296 3.162 20 0 CGADMM Cc1cccc2c1nc(N)n2-c1cc(C(=O)[O-])cc(F)c1C ZINC001210005440 814238768 /nfs/dbraw/zinc/23/87/68/814238768.db2.gz HWSLIERWAFYSMA-UHFFFAOYSA-N -1 1 299.305 3.062 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cncc(N2CCCC2)c1 ZINC001210611303 814555580 /nfs/dbraw/zinc/55/55/80/814555580.db2.gz CBRHFGQWCNDSMC-UHFFFAOYSA-N -1 1 291.301 3.409 20 0 CGADMM Cc1cnc(-c2cccc([O-])c2Cl)nc1NC1CC1 ZINC001242798677 823135897 /nfs/dbraw/zinc/13/58/97/823135897.db2.gz PBSSOVVJISJSAF-UHFFFAOYSA-N -1 1 275.739 3.385 20 0 CGADMM [O-]c1c(Cl)cc(Nc2cnc3nccn3c2)cc1Cl ZINC001210926854 814678076 /nfs/dbraw/zinc/67/80/76/814678076.db2.gz IPKHWWKZBCEIDC-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM CN1CCN(c2ccccc2Nc2cccc([S-])c2)CC1 ZINC001210947528 814687294 /nfs/dbraw/zinc/68/72/94/814687294.db2.gz QIILTHZMYWBZOE-UHFFFAOYSA-N -1 1 299.443 3.471 20 0 CGADMM Cc1c[nH]c2ncnc(-c3cccc([O-])c3Cl)c12 ZINC001242797690 823135262 /nfs/dbraw/zinc/13/52/62/823135262.db2.gz FAOZTDDQLXXMFC-UHFFFAOYSA-N -1 1 259.696 3.244 20 0 CGADMM [O-]c1cccc(-c2nccc3nccnc32)c1Cl ZINC001242798736 823136074 /nfs/dbraw/zinc/13/60/74/823136074.db2.gz XLGMNAWLNGJCAR-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM COc1cc(-c2cccc([O-])c2Cl)cnc1OC ZINC001242799780 823136325 /nfs/dbraw/zinc/13/63/25/823136325.db2.gz CEBZCVSGLGVAKF-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM Cc1c(-c2cccc([O-])c2Cl)ccc2ncnn21 ZINC001242799787 823136485 /nfs/dbraw/zinc/13/64/85/823136485.db2.gz CHKMONUDIHHKCO-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM CC(C)Oc1ccc(-c2cccc([O-])c2Cl)nn1 ZINC001242800334 823136525 /nfs/dbraw/zinc/13/65/25/823136525.db2.gz GFTSEWNKJZJMAJ-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM COC(=O)c1cncc(-c2cccc([O-])c2Cl)c1C ZINC001242802393 823137707 /nfs/dbraw/zinc/13/77/07/823137707.db2.gz ZZJMTHTWRMAQDJ-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM Nc1noc2cc(-c3cccc([O-])c3Cl)ccc12 ZINC001242802977 823137895 /nfs/dbraw/zinc/13/78/95/823137895.db2.gz UFHQUCGJMJVJNK-UHFFFAOYSA-N -1 1 260.680 3.436 20 0 CGADMM NC(=O)c1ccc2cc(-c3cccc([O-])c3Cl)ccc2n1 ZINC001242802834 823137947 /nfs/dbraw/zinc/13/79/47/823137947.db2.gz JBIAYCMELPKOCX-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM O=c1cc(-c2cccc([O-])c2Cl)ccn1-c1ccncc1 ZINC001242802114 823138056 /nfs/dbraw/zinc/13/80/56/823138056.db2.gz RGTCWGQALGMLBK-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM CC(=O)Nc1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211350495 814883377 /nfs/dbraw/zinc/88/33/77/814883377.db2.gz PWMHFLOFIKJHLV-UHFFFAOYSA-N -1 1 263.243 3.296 20 0 CGADMM Cc1cc2nccn2cc1-c1cc(F)c([O-])cc1F ZINC001211350103 814883404 /nfs/dbraw/zinc/88/34/04/814883404.db2.gz LOCFGMRZBSUNHK-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM COC(=O)c1ccc(F)cc1Nc1c([O-])cc(F)cc1F ZINC001211353831 814885439 /nfs/dbraw/zinc/88/54/39/814885439.db2.gz XFOXPMXAGGDASZ-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM COC(=O)c1ccc(F)cc1Nc1cc(F)c([O-])cc1F ZINC001211358532 814885701 /nfs/dbraw/zinc/88/57/01/814885701.db2.gz HPPQVVRVNLKACJ-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM Cc1nnc([N-]c2ccccc2NC(=O)C(C)(C)C)o1 ZINC001215830306 815608373 /nfs/dbraw/zinc/60/83/73/815608373.db2.gz ZGMCVNHMQOPLAX-UHFFFAOYSA-N -1 1 274.324 3.106 20 0 CGADMM COc1cccc(-c2noc(-c3ccc(F)c([O-])c3)n2)c1 ZINC001215842564 815612073 /nfs/dbraw/zinc/61/20/73/815612073.db2.gz OLEQHQHSGFXTJE-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM COc1cc([N-]c2nonc2N)ccc1-c1ccccc1 ZINC001216005834 815658156 /nfs/dbraw/zinc/65/81/56/815658156.db2.gz UNJXGJPJYLTIAX-UHFFFAOYSA-N -1 1 282.303 3.071 20 0 CGADMM CCc1cc(Nc2cc(F)c([O-])cc2F)ccc1CO ZINC001216106400 815697798 /nfs/dbraw/zinc/69/77/98/815697798.db2.gz UIDJNTLKPAFTMY-UHFFFAOYSA-N -1 1 279.286 3.469 20 0 CGADMM COc1cc(-n2[n-]c(=O)c3ccc(N)cc32)ccc1C1CC1 ZINC001216253169 815754917 /nfs/dbraw/zinc/75/49/17/815754917.db2.gz IICHBUSLIIFPMU-UHFFFAOYSA-N -1 1 295.342 3.199 20 0 CGADMM CN(C)Cc1ccc(-c2ccccc2C(=O)[O-])cc1F ZINC001242881680 823163485 /nfs/dbraw/zinc/16/34/85/823163485.db2.gz OQCDJZIJWFDGAA-UHFFFAOYSA-N -1 1 273.307 3.253 20 0 CGADMM CCCCC[C@@H](OCc1nn[n-]n1)c1ccccc1 ZINC001223027136 816554152 /nfs/dbraw/zinc/55/41/52/816554152.db2.gz MFOPNKYGLFBNEA-CYBMUJFWSA-N -1 1 260.341 3.038 20 0 CGADMM Cc1ccccc1[C@H](C)OCCCC[P@](=O)([O-])O ZINC001225018968 816934884 /nfs/dbraw/zinc/93/48/84/816934884.db2.gz NGYSOSJNAFWNKX-LBPRGKRZSA-N -1 1 272.281 3.031 20 0 CGADMM CCC[C@H](CC(=O)OCC)Oc1cc([O-])ccc1C(C)=O ZINC001225615722 817113595 /nfs/dbraw/zinc/11/35/95/817113595.db2.gz DLTVQWWQONYJJL-CYBMUJFWSA-N -1 1 294.347 3.096 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)c1ccc(C)nc1 ZINC001225616962 817113840 /nfs/dbraw/zinc/11/38/40/817113840.db2.gz RPIWUGIXRXBSIE-LBPRGKRZSA-N -1 1 271.316 3.438 20 0 CGADMM CC[C@@H](Oc1cc([O-])cc(O)c1C(C)=O)C(C)C ZINC001225675213 817136851 /nfs/dbraw/zinc/13/68/51/817136851.db2.gz SMDYEBIYOMOICX-GFCCVEGCSA-N -1 1 252.310 3.114 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CCc2ccccc21 ZINC001225678101 817138152 /nfs/dbraw/zinc/13/81/52/817138152.db2.gz WZYVPVVGMKVLGI-HNNXBMFYSA-N -1 1 284.311 3.367 20 0 CGADMM CC(=O)c1c[n-]c(=O)nc1O[C@H]1CC[C@H](C(C)(C)C)CC1 ZINC001226237549 817305537 /nfs/dbraw/zinc/30/55/37/817305537.db2.gz JTPJPCTVSWNVCK-HAQNSBGRSA-N -1 1 292.379 3.369 20 0 CGADMM CCCCC[C@H](CC)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226239710 817307083 /nfs/dbraw/zinc/30/70/83/817307083.db2.gz NRJYMQUXSLTZLK-NSHDSACASA-N -1 1 266.341 3.123 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H]3C[C@H]4C=C[C@@H]3C4)c12 ZINC001226484323 817371727 /nfs/dbraw/zinc/37/17/27/817371727.db2.gz CTSZIQSIHQLGQO-LOWVWBTDSA-N -1 1 284.311 3.150 20 0 CGADMM Cc1cc(COc2cnc[n-]c2=O)cc(C)c1OC(C)C ZINC001227052131 817544060 /nfs/dbraw/zinc/54/40/60/817544060.db2.gz WCGITNVRAGXCFU-UHFFFAOYSA-N -1 1 288.347 3.165 20 0 CGADMM C[C@H](Oc1[n-]c(=S)ncc1F)c1cccnc1Cl ZINC001227384331 817637242 /nfs/dbraw/zinc/63/72/42/817637242.db2.gz XGDDTQJVADPKCJ-LURJTMIESA-N -1 1 285.731 3.093 20 0 CGADMM Cc1cc(-c2cc(F)c3c(c2)CN(C)CC3)ccc1C(=O)[O-] ZINC001243216743 823297040 /nfs/dbraw/zinc/29/70/40/823297040.db2.gz JLSMFNJKFSAATL-UHFFFAOYSA-N -1 1 299.345 3.487 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)C(C)C ZINC001228556777 817938031 /nfs/dbraw/zinc/93/80/31/817938031.db2.gz RFHZDQHBUFLWGV-VIFPVBQESA-N -1 1 252.310 3.114 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccc(C)c(O)c3)ccc2[n-]1 ZINC001243230323 823304153 /nfs/dbraw/zinc/30/41/53/823304153.db2.gz CXROUXVCDOISCQ-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccc(C)c(O)c3)cc2[n-]1 ZINC001243230323 823304160 /nfs/dbraw/zinc/30/41/60/823304160.db2.gz CXROUXVCDOISCQ-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM C[C@H](Oc1cccnc1-c1ncccc1[O-])c1ccncc1 ZINC001231200962 818055632 /nfs/dbraw/zinc/05/56/32/818055632.db2.gz WBGKIFYSPBSVIA-LBPRGKRZSA-N -1 1 293.326 3.384 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccccc1O[C@@H]1CCCOC1 ZINC001231231217 818062453 /nfs/dbraw/zinc/06/24/53/818062453.db2.gz SHXUDUOPYLIULM-OAHLLOKOSA-N -1 1 298.338 3.181 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(Cl)c([O-])c2)C[C@H]1F ZINC001231733078 818161417 /nfs/dbraw/zinc/16/14/17/818161417.db2.gz LXKMSUUZVBNUJU-BXKDBHETSA-N -1 1 257.736 3.226 20 0 CGADMM C[C@H]1C[C@@H](CF)N(Cc2ccc(Cl)c([O-])c2)C1 ZINC001231733312 818161547 /nfs/dbraw/zinc/16/15/47/818161547.db2.gz RMIGXXILSYIAMQ-ONGXEEELSA-N -1 1 257.736 3.226 20 0 CGADMM O=C([O-])COc1ccccc1CN1CC[C@H]1c1ccccc1 ZINC001231797440 818178074 /nfs/dbraw/zinc/17/80/74/818178074.db2.gz UKRODPIOFOFOGD-INIZCTEOSA-N -1 1 297.354 3.097 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC(OC3CCC3)CC2)c1F ZINC001232931129 818475364 /nfs/dbraw/zinc/47/53/64/818475364.db2.gz JNAXSZNRCSSICB-UHFFFAOYSA-N -1 1 297.345 3.204 20 0 CGADMM [O-]c1cc(CN2CC[C@@H](C(F)(F)F)C2)cc(F)c1F ZINC001232973483 818489780 /nfs/dbraw/zinc/48/97/80/818489780.db2.gz ZZSDJCFEMGYDDZ-MRVPVSSYSA-N -1 1 281.224 3.055 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCC[C@H](C(F)(F)F)C1 ZINC001233035283 818504740 /nfs/dbraw/zinc/50/47/40/818504740.db2.gz CSVBKPXLGCTASZ-VIFPVBQESA-N -1 1 294.704 3.215 20 0 CGADMM [O-]c1ccc(-c2ncnc3c2CCCC3)c(F)c1F ZINC001243339561 823352702 /nfs/dbraw/zinc/35/27/02/823352702.db2.gz QEDJGHFUKZQWBY-UHFFFAOYSA-N -1 1 262.259 3.006 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OC1CCC(=O)CC1 ZINC001233646990 818669022 /nfs/dbraw/zinc/66/90/22/818669022.db2.gz KJXSYFOIZJHIOX-UHFFFAOYSA-N -1 1 276.332 3.266 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OCCOC(C)C ZINC001233650634 818670057 /nfs/dbraw/zinc/67/00/57/818670057.db2.gz NUDOXPBUWQPIRQ-UHFFFAOYSA-N -1 1 266.337 3.179 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1CCCCC1=O ZINC001233650083 818670155 /nfs/dbraw/zinc/67/01/55/818670155.db2.gz GRIMGYMLVUVCIS-OAHLLOKOSA-N -1 1 276.332 3.266 20 0 CGADMM O=c1ccc(-c2ccc([O-])c(F)c2F)cn1CC1CCC1 ZINC001243343631 823358393 /nfs/dbraw/zinc/35/83/93/823358393.db2.gz KJDSHKCKDGWNBD-UHFFFAOYSA-N -1 1 291.297 3.299 20 0 CGADMM COC(=O)c1cc(F)c(=O)[n-]c1OC1CCCCCCC1 ZINC001234606684 818889907 /nfs/dbraw/zinc/88/99/07/818889907.db2.gz JJWSPFZJEJOADN-UHFFFAOYSA-N -1 1 297.326 3.205 20 0 CGADMM O=[P@@]([O-])(O)c1ccc(-c2cccc(C3CC3)c2)cc1 ZINC001236088464 819309236 /nfs/dbraw/zinc/30/92/36/819309236.db2.gz VTDCNZNRMRPMGS-UHFFFAOYSA-N -1 1 274.256 3.034 20 0 CGADMM O=[P@]([O-])(O)c1ccc(-c2cccc(C3CC3)c2)cc1 ZINC001236088464 819309243 /nfs/dbraw/zinc/30/92/43/819309243.db2.gz VTDCNZNRMRPMGS-UHFFFAOYSA-N -1 1 274.256 3.034 20 0 CGADMM Cc1c(Cl)c(-c2cc3[nH]cnc3cn2)ccc1C(=O)[O-] ZINC001236114483 819326950 /nfs/dbraw/zinc/32/69/50/819326950.db2.gz RNYHQQHMXYSELJ-UHFFFAOYSA-N -1 1 287.706 3.285 20 0 CGADMM CCOC(=O)c1cccc(-c2c(F)ccc(C)c2[O-])n1 ZINC001236392208 819447942 /nfs/dbraw/zinc/44/79/42/819447942.db2.gz MHUMNUGQEBOGCG-UHFFFAOYSA-N -1 1 275.279 3.078 20 0 CGADMM Cc1ccc(F)c(-c2cnc(OC(F)(F)F)cn2)c1[O-] ZINC001236403853 819452170 /nfs/dbraw/zinc/45/21/70/819452170.db2.gz VXUVHYSJWRGTDW-UHFFFAOYSA-N -1 1 288.200 3.195 20 0 CGADMM CCOC(=O)Cc1cccc(-c2c(F)ccc(C)c2[O-])n1 ZINC001236413548 819459178 /nfs/dbraw/zinc/45/91/78/819459178.db2.gz BCTOSCHGMCCRQX-UHFFFAOYSA-N -1 1 289.306 3.007 20 0 CGADMM COc1ccc(-c2cc(F)cc(F)c2[O-])c(F)c1 ZINC001243502639 823421400 /nfs/dbraw/zinc/42/14/00/823421400.db2.gz LTUDZVBDBNFIHM-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COC(=O)CCc1ccccc1-c1cc(F)cc(F)c1[O-] ZINC001243503125 823421549 /nfs/dbraw/zinc/42/15/49/823421549.db2.gz AOYNMLMOGPQUIA-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM COC(=O)c1ccc(OC)c(-c2cc(F)cc(F)c2[O-])c1 ZINC001243504362 823422522 /nfs/dbraw/zinc/42/25/22/823422522.db2.gz MOHJDISWFRYPSD-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM COc1cc(C)c(-c2cc(F)cc(F)c2[O-])c(C)n1 ZINC001243504622 823423334 /nfs/dbraw/zinc/42/33/34/823423334.db2.gz NERLOUIOYPBOST-UHFFFAOYSA-N -1 1 265.259 3.358 20 0 CGADMM Cc1nc2ccc(-c3cc(F)cc(F)c3[O-])cc2c(=O)o1 ZINC001243506139 823424278 /nfs/dbraw/zinc/42/42/78/823424278.db2.gz XSWNJLIZYIPDLU-UHFFFAOYSA-N -1 1 289.237 3.147 20 0 CGADMM CCc1nc(OC)ccc1-c1cc(F)cc(F)c1[O-] ZINC001243506988 823424574 /nfs/dbraw/zinc/42/45/74/823424574.db2.gz QCHQZUOTFSSBRJ-UHFFFAOYSA-N -1 1 265.259 3.303 20 0 CGADMM [O-]c1c(CN2CCC[C@H]3C[C@H]32)cc(Cl)nc1Cl ZINC001237521578 819770256 /nfs/dbraw/zinc/77/02/56/819770256.db2.gz BFCFBWIFLFXEEU-IONNQARKSA-N -1 1 273.163 3.078 20 0 CGADMM CC1CCN(Cc2cc(F)c([O-])c(Cl)c2)CC1 ZINC001237990358 819906263 /nfs/dbraw/zinc/90/62/63/819906263.db2.gz NBMRDIOUMJSTQU-UHFFFAOYSA-N -1 1 257.736 3.417 20 0 CGADMM CCOC(=O)Cc1ccc(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243578854 823453091 /nfs/dbraw/zinc/45/30/91/823453091.db2.gz VUJNFUOARKRJAS-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM COC(=O)Cc1cccc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243579186 823453131 /nfs/dbraw/zinc/45/31/31/823453131.db2.gz XXZFQCLTJUVCCE-UHFFFAOYSA-N -1 1 276.719 3.428 20 0 CGADMM CCc1ncnc(-c2ccc(Cl)c([O-])c2)c1F ZINC001243576407 823451391 /nfs/dbraw/zinc/45/13/91/823451391.db2.gz FPOYZXSXZLMRSS-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM O=C1C[C@H](c2cccc(-c3ccc(Cl)c([O-])c3)c2)CN1 ZINC001243577690 823452095 /nfs/dbraw/zinc/45/20/95/823452095.db2.gz CABFSZWBSKZASO-ZDUSSCGKSA-N -1 1 287.746 3.316 20 0 CGADMM NC(=O)c1cc(-c2ccc(Cl)c([O-])c2)nc2ccccc21 ZINC001243578751 823452796 /nfs/dbraw/zinc/45/27/96/823452796.db2.gz KPYMYBLIAZBNIX-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM [O-]c1cc(-c2ccc(-c3nc[nH]n3)cc2)ccc1Cl ZINC001243582117 823454218 /nfs/dbraw/zinc/45/42/18/823454218.db2.gz XZHVPGBGEULABU-UHFFFAOYSA-N -1 1 271.707 3.498 20 0 CGADMM O=c1c(-c2ccc(Cl)c([O-])c2)cccn1-c1ccncc1 ZINC001243583053 823455045 /nfs/dbraw/zinc/45/50/45/823455045.db2.gz HMVMRQHVYYAUIZ-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc(OC)c3C)ccc2[n-]1 ZINC001238984139 820181573 /nfs/dbraw/zinc/18/15/73/820181573.db2.gz SXKZHMNQNRMLGK-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc(OC)c3C)cc2[n-]1 ZINC001238984139 820181578 /nfs/dbraw/zinc/18/15/78/820181578.db2.gz SXKZHMNQNRMLGK-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM CCOc1cc(-c2ccc(C(F)(F)F)cc2[O-])ncn1 ZINC001243610684 823467212 /nfs/dbraw/zinc/46/72/12/823467212.db2.gz NZTPCZULQTXREW-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM CC(F)(F)c1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001243642668 823474114 /nfs/dbraw/zinc/47/41/14/823474114.db2.gz DMMYZPNUBFPSEG-UHFFFAOYSA-N -1 1 287.273 3.040 20 0 CGADMM CC(F)(F)c1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001243642668 823474115 /nfs/dbraw/zinc/47/41/15/823474115.db2.gz DMMYZPNUBFPSEG-UHFFFAOYSA-N -1 1 287.273 3.040 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(C)cc(F)c3)ccc2[n-]1 ZINC001240594274 821175529 /nfs/dbraw/zinc/17/55/29/821175529.db2.gz FGOCFVCFYWREQV-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(C)cc(F)c3)cc2[n-]1 ZINC001240594274 821175534 /nfs/dbraw/zinc/17/55/34/821175534.db2.gz FGOCFVCFYWREQV-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM Cc1ccc2nc(-c3cc(F)ccc3[O-])ccc2n1 ZINC001240693813 821249272 /nfs/dbraw/zinc/24/92/72/821249272.db2.gz IOEPXEDGIWDEQY-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM CC1CCN(c2ccc(-c3cc(F)ccc3[O-])nn2)CC1 ZINC001240695480 821251700 /nfs/dbraw/zinc/25/17/00/821251700.db2.gz KXSUNUNNNZMHCR-UHFFFAOYSA-N -1 1 287.338 3.225 20 0 CGADMM [O-]c1ccc(-c2nccc(-c3cccnc3)n2)cc1F ZINC001240781753 821322113 /nfs/dbraw/zinc/32/21/13/821322113.db2.gz HZBATDRSNMEUSS-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM [O-]c1ccc(-c2ncc(C(F)(F)F)cn2)cc1F ZINC001240783203 821323661 /nfs/dbraw/zinc/32/36/61/821323661.db2.gz OSLLDTNHDRLRMF-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM COc1nnc(-c2ccc([O-])c(F)c2)cc1C(F)(F)F ZINC001240786027 821324598 /nfs/dbraw/zinc/32/45/98/821324598.db2.gz ICLCUMCJGINXEJ-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1-c1cc(N2CCCC2)ccn1 ZINC001240998958 821477315 /nfs/dbraw/zinc/47/73/15/821477315.db2.gz FRFAKNMYNHHRQF-UHFFFAOYSA-N -1 1 282.343 3.355 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1-c1cccc2nc[nH]c21 ZINC001241001023 821479431 /nfs/dbraw/zinc/47/94/31/821479431.db2.gz MKBDCGSSBXNNCE-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM [O-]c1cc(F)c(-c2nccc3scnc32)c(F)c1 ZINC001241118184 821572576 /nfs/dbraw/zinc/57/25/76/821572576.db2.gz LZUAWTDDLCJYCA-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM CSc1c[nH]c2ncnc(-c3c(F)cc([O-])cc3F)c12 ZINC001241120412 821575787 /nfs/dbraw/zinc/57/57/87/821575787.db2.gz SRYXKPRZRRCIJU-UHFFFAOYSA-N -1 1 293.298 3.282 20 0 CGADMM CC(C)(C)c1ccc(-c2c(F)cc([O-])cc2F)nn1 ZINC001241120524 821575818 /nfs/dbraw/zinc/57/58/18/821575818.db2.gz YRAPZHMVWRAKFJ-UHFFFAOYSA-N -1 1 264.275 3.425 20 0 CGADMM Cc1cc(-c2c(F)cc([O-])cc2F)nc(-c2ccccn2)n1 ZINC001241120482 821576236 /nfs/dbraw/zinc/57/62/36/821576236.db2.gz WWXJKTNLOUMWQV-UHFFFAOYSA-N -1 1 299.280 3.498 20 0 CGADMM COC(=O)c1cccc(-c2c(F)cc([O-])cc2F)c1F ZINC001241121056 821577508 /nfs/dbraw/zinc/57/75/08/821577508.db2.gz ZYKWWZBOHOUYAB-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3ncncc32)c(F)c1 ZINC001241122332 821579114 /nfs/dbraw/zinc/57/91/14/821579114.db2.gz MEBSIAYMVJADRQ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Cc1cnc2[nH]ccc2c1-c1c(F)cc([O-])cc1F ZINC001241124480 821581942 /nfs/dbraw/zinc/58/19/42/821581942.db2.gz GOARIZFTHDQILM-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM O=C([O-])c1ccc(-c2cccc3nc[nH]c32)cc1F ZINC001241185050 821622530 /nfs/dbraw/zinc/62/25/30/821622530.db2.gz KQSFGURTZBRHOK-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM CN(C)Cc1cccc(-c2ccc(F)c(C(=O)[O-])c2)c1F ZINC001241247632 821669087 /nfs/dbraw/zinc/66/90/87/821669087.db2.gz UJRXJHBIJHECSN-UHFFFAOYSA-N -1 1 291.297 3.392 20 0 CGADMM CCCCN(C)c1cncc(-c2c(F)ccc([O-])c2F)n1 ZINC001241291069 821708065 /nfs/dbraw/zinc/70/80/65/821708065.db2.gz ZBHZGFWSYMFQDU-UHFFFAOYSA-N -1 1 293.317 3.364 20 0 CGADMM [O-]c1ccc(F)c(-c2cc(C(F)(F)F)cnn2)c1F ZINC001241290802 821708200 /nfs/dbraw/zinc/70/82/00/821708200.db2.gz FGIOBTDAVIBAPB-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM [O-]c1ccc(F)c(-c2ccnc(-c3nccs3)n2)c1F ZINC001241291560 821708335 /nfs/dbraw/zinc/70/83/35/821708335.db2.gz PZUUGIDEYWZDKY-UHFFFAOYSA-N -1 1 291.282 3.251 20 0 CGADMM CN(C)Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1F ZINC001241361076 821761996 /nfs/dbraw/zinc/76/19/96/821761996.db2.gz PTBVXCXYPJJKRI-UHFFFAOYSA-N -1 1 273.307 3.253 20 0 CGADMM CN1CCc2c(F)cc(-c3cccc(C(=O)[O-])c3)cc2C1 ZINC001241362503 821763323 /nfs/dbraw/zinc/76/33/23/821763323.db2.gz VGSKCGCIVGXZGM-UHFFFAOYSA-N -1 1 285.318 3.179 20 0 CGADMM Cc1nc2ccc(-c3cc(F)cc(C(=O)[O-])c3)cc2[nH]1 ZINC001241827871 822166097 /nfs/dbraw/zinc/16/60/97/822166097.db2.gz NGBLCTAQVVOZHD-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM COc1ccc(-c2ccc3nc(C)[nH]c3c2)cc1C(=O)[O-] ZINC001241868824 822187114 /nfs/dbraw/zinc/18/71/14/822187114.db2.gz OTQXVJKNKVZZKP-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM COc1nnc(-c2cc(C(F)(F)F)ccc2[O-])cc1C ZINC001242132311 822889646 /nfs/dbraw/zinc/88/96/46/822889646.db2.gz QFYOKSLATWNZFS-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM COc1cccc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151682 822895915 /nfs/dbraw/zinc/89/59/15/822895915.db2.gz UFAAYMNERXRFBP-UHFFFAOYSA-N -1 1 269.222 3.482 20 0 CGADMM CCc1nccnc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242151636 822896369 /nfs/dbraw/zinc/89/63/69/822896369.db2.gz SMONUXABDTVZEY-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM CC(=O)Nc1ccc(F)c(-c2ccc(F)cc2[O-])c1 ZINC001242219212 822915515 /nfs/dbraw/zinc/91/55/15/822915515.db2.gz NFMKKHANGQVLGP-UHFFFAOYSA-N -1 1 263.243 3.296 20 0 CGADMM [O-]c1cc(F)ccc1-c1cnc(OCC2CCC2)nc1 ZINC001242219498 822915700 /nfs/dbraw/zinc/91/57/00/822915700.db2.gz IDBLAUHBUIPORQ-UHFFFAOYSA-N -1 1 274.295 3.167 20 0 CGADMM CC(C)S(=O)(=O)c1ccccc1-c1cccc(F)c1[O-] ZINC001242350693 822961387 /nfs/dbraw/zinc/96/13/87/822961387.db2.gz INHKGDCBIXBQNY-UHFFFAOYSA-N -1 1 294.347 3.380 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc4cc[nH]c43)ccc2[n-]1 ZINC001242359491 822966061 /nfs/dbraw/zinc/96/60/61/822966061.db2.gz BJXPSEHUTWATOH-UHFFFAOYSA-N -1 1 291.310 3.498 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc4cc[nH]c43)cc2[n-]1 ZINC001242359491 822966062 /nfs/dbraw/zinc/96/60/62/822966062.db2.gz BJXPSEHUTWATOH-UHFFFAOYSA-N -1 1 291.310 3.498 20 0 CGADMM O=C1C=CC(=O)N1c1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001242364315 822968098 /nfs/dbraw/zinc/96/80/98/822968098.db2.gz HIXNZIGXRXFSRT-UHFFFAOYSA-N -1 1 299.713 3.142 20 0 CGADMM CCOC(=O)Cc1ccc(-c2cccc(Cl)c2[O-])cn1 ZINC001242364803 822968276 /nfs/dbraw/zinc/96/82/76/822968276.db2.gz PTAZSUVFHXLECD-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM CN1C(=O)NCc2c(-c3cccc(Cl)c3[O-])cccc21 ZINC001242367131 822969398 /nfs/dbraw/zinc/96/93/98/822969398.db2.gz HLJPVKUIHWNFRI-UHFFFAOYSA-N -1 1 288.734 3.372 20 0 CGADMM CCC(=O)Nc1cc(-c2cccc(Cl)c2[O-])ccn1 ZINC001242366866 822969570 /nfs/dbraw/zinc/96/95/70/822969570.db2.gz BQVYKMFYYDVUQD-UHFFFAOYSA-N -1 1 276.723 3.456 20 0 CGADMM O=c1ccc(-c2cccc(Cl)c2[O-])cn1-c1ccccn1 ZINC001242367001 822969581 /nfs/dbraw/zinc/96/95/81/822969581.db2.gz GHADCLHCIAJNGB-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM COCOc1cncc(-c2cccc(Cl)c2[O-])c1 ZINC001242368071 822970083 /nfs/dbraw/zinc/97/00/83/822970083.db2.gz WRQMEDHYGQYCMV-UHFFFAOYSA-N -1 1 265.696 3.090 20 0 CGADMM CC[C@H](C)n1nccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001347674270 936891798 /nfs/dbraw/zinc/89/17/98/936891798.db2.gz KYIMGINIKHMHMW-QMMMGPOBSA-N -1 1 295.289 3.090 20 0 CGADMM O=C(NC[C@H]1C[C@H]1C1CCCC1)c1c(F)ccc([O-])c1F ZINC001348705703 936931116 /nfs/dbraw/zinc/93/11/16/936931116.db2.gz NUZFGPIMQZJVRN-MNOVXSKESA-N -1 1 295.329 3.227 20 0 CGADMM CCOc1cc(C(=O)[N-]c2cc(Cl)ccc2F)on1 ZINC001353775512 937077007 /nfs/dbraw/zinc/07/70/07/937077007.db2.gz YKHAMQRJOYCBOJ-UHFFFAOYSA-N -1 1 284.674 3.118 20 0 CGADMM CCC(=O)c1ccc([O-])cc1OC1CCC(OC)CC1 ZINC001229475270 927347193 /nfs/dbraw/zinc/34/71/93/927347193.db2.gz SKQXCUIFDSZFQG-UHFFFAOYSA-N -1 1 278.348 3.321 20 0 CGADMM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000042435357 928204139 /nfs/dbraw/zinc/20/41/39/928204139.db2.gz CQRRHHBQUSADIS-RKDXNWHRSA-N -1 1 255.745 3.210 20 0 CGADMM CC[C@@H](C)[C@@H](C)N(C(=O)C(=O)c1ccc([O-])cc1)C1CC1 ZINC001443711345 937348392 /nfs/dbraw/zinc/34/83/92/937348392.db2.gz MAQAJJWTKYPJIC-VXGBXAGGSA-N -1 1 289.375 3.001 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)CCC(C)(C)C)c([O-])c1 ZINC001444289750 937351636 /nfs/dbraw/zinc/35/16/36/937351636.db2.gz DBBNZYHTJCAZFP-LLVKDONJSA-N -1 1 264.369 3.040 20 0 CGADMM COc1cc(C)ccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001449447551 937379706 /nfs/dbraw/zinc/37/97/06/937379706.db2.gz MVULGGFDFSRHAH-UHFFFAOYSA-N -1 1 293.269 3.240 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1C[C@@H]1C1CCCC1 ZINC001451754918 937391794 /nfs/dbraw/zinc/39/17/94/937391794.db2.gz MIILEXPXJKDKKR-MNOVXSKESA-N -1 1 281.302 3.435 20 0 CGADMM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([O-])cn1 ZINC001450611869 937387158 /nfs/dbraw/zinc/38/71/58/937387158.db2.gz SROTXZCRXGEPQG-NWDGAFQWSA-N -1 1 276.380 3.074 20 0 CGADMM CC1=C(C)C[C@@H](C(=O)[N-]Oc2ccc(F)cc2)CC1 ZINC001453026460 937399731 /nfs/dbraw/zinc/39/97/31/937399731.db2.gz AHADXPKYGDXYBH-LBPRGKRZSA-N -1 1 263.312 3.372 20 0 CGADMM COCc1ccc(C(=O)Nc2c([O-])cccc2F)cc1F ZINC001453017001 937400090 /nfs/dbraw/zinc/40/00/90/937400090.db2.gz PSUUOMWDXSYTNW-UHFFFAOYSA-N -1 1 293.269 3.069 20 0 CGADMM C[C@H]1CC(CNC(=O)c2ccc([O-])c(F)c2)C[C@H](C)C1 ZINC001453059114 937400673 /nfs/dbraw/zinc/40/06/73/937400673.db2.gz QVPVAFVDKXRNKV-GHMZBOCLSA-N -1 1 279.355 3.333 20 0 CGADMM O=C(NCc1ccnc2ccccc12)c1ccc(F)c([O-])c1 ZINC001454299621 937407777 /nfs/dbraw/zinc/40/77/77/937407777.db2.gz XZXVIPFZBZMYBG-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([O-])cn1 ZINC001454832002 937412796 /nfs/dbraw/zinc/41/27/96/937412796.db2.gz SWVANARBUCPCBH-JTQLQIEISA-N -1 1 290.750 3.274 20 0 CGADMM CCCC[C@](C)(F)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001457762210 937445198 /nfs/dbraw/zinc/44/51/98/937445198.db2.gz KRFIEKULWPCWLA-LBPRGKRZSA-N -1 1 274.723 3.298 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc(F)c([O-])c2)[C@@H]2CCCC[C@@H]21 ZINC001546120170 937553443 /nfs/dbraw/zinc/55/34/43/937553443.db2.gz FCTSEVRXXBBKCQ-MPKXVKKWSA-N -1 1 277.339 3.182 20 0 CGADMM COc1ccc(CC(=O)Nc2c([O-])cccc2F)c(C)c1 ZINC001165759316 931996083 /nfs/dbraw/zinc/99/60/83/931996083.db2.gz NITMJXIKDGMOHV-UHFFFAOYSA-N -1 1 289.306 3.030 20 0 CGADMM C[C@@H](Oc1cc([O-])cc2oc(=O)ccc12)C1CCC1 ZINC001229129071 932101208 /nfs/dbraw/zinc/10/12/08/932101208.db2.gz IJIXHUHIXKZZMJ-SECBINFHSA-N -1 1 260.289 3.066 20 0 CGADMM O=c1ccc2c(O[C@@H]3C[C@@H]4CC[C@H]3C4)cc([O-])cc2o1 ZINC001229132066 932101301 /nfs/dbraw/zinc/10/13/01/932101301.db2.gz PKXKDXLXLVXNNB-GBIKHYSHSA-N -1 1 272.300 3.066 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cccc2ccncc21 ZINC001306799146 932760656 /nfs/dbraw/zinc/76/06/56/932760656.db2.gz HGNSCDLHPNZDOU-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM C[S@@](=O)(=NC(=O)c1cccc([O-])c1F)C1CCCCC1 ZINC001303911443 932836402 /nfs/dbraw/zinc/83/64/02/932836402.db2.gz HISXOFLUBRZORO-FQEVSTJZSA-N -1 1 299.367 3.102 20 0 CGADMM O=C(Nc1c[nH]c2ccccc12)c1ccc([O-])cc1F ZINC001304096367 932842430 /nfs/dbraw/zinc/84/24/30/932842430.db2.gz IRILTLQXWRHMHU-UHFFFAOYSA-N -1 1 270.263 3.265 20 0 CGADMM Cc1noc([N-]C(=O)c2cc(Cl)cc(Cl)c2F)n1 ZINC001306387847 932879603 /nfs/dbraw/zinc/87/96/03/932879603.db2.gz IBGSNRXOHHSVSC-UHFFFAOYSA-N -1 1 290.081 3.076 20 0 CGADMM Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])c(F)c1F ZINC001306826348 932887631 /nfs/dbraw/zinc/88/76/31/932887631.db2.gz LJOMKKYUPLMXFR-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM O=c1cc(-c2ccccc2)nc(SCC(F)F)[n-]1 ZINC001307404331 932948766 /nfs/dbraw/zinc/94/87/66/932948766.db2.gz KBHKOOKJNSFHMO-UHFFFAOYSA-N -1 1 268.288 3.206 20 0 CGADMM Cc1cc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cc(C)n1 ZINC001308483542 933117744 /nfs/dbraw/zinc/11/77/44/933117744.db2.gz CDHJAPWQWCQFTO-UHFFFAOYSA-N -1 1 294.358 3.202 20 0 CGADMM O=C(NC1CCCCC1)c1ncc2ccccc2c1[O-] ZINC001463657455 937678698 /nfs/dbraw/zinc/67/86/98/937678698.db2.gz UZSRUKVRCLTGTK-UHFFFAOYSA-N -1 1 270.332 3.003 20 0 CGADMM C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC001463840119 937681717 /nfs/dbraw/zinc/68/17/17/937681717.db2.gz FAYWXROPAZOODI-VIFPVBQESA-N -1 1 291.363 3.068 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@H]2CCC[C@H](C)C2)c1 ZINC001464465649 937691034 /nfs/dbraw/zinc/69/10/34/937691034.db2.gz CZWRUCQWJMQDOU-AAEUAGOBSA-N -1 1 289.375 3.069 20 0 CGADMM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001464642230 937693682 /nfs/dbraw/zinc/69/36/82/937693682.db2.gz JZTAJKXXRACUGB-CMPLNLGQSA-N -1 1 265.328 3.087 20 0 CGADMM C[C@H](NC(=O)c1cccc([O-])c1F)[C@@H](C)c1ccccc1 ZINC001465598134 937702015 /nfs/dbraw/zinc/70/20/15/937702015.db2.gz KASJXWVZVBVUNW-NEPJUHHUSA-N -1 1 287.334 3.453 20 0 CGADMM Cc1cc(C)cc(CC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001468747123 937731418 /nfs/dbraw/zinc/73/14/18/937731418.db2.gz CGBLEUHMTAAHDY-UHFFFAOYSA-N -1 1 291.297 3.468 20 0 CGADMM O=C(CCOc1ccccc1)Nc1cc(F)cc(F)c1[O-] ZINC001469163588 937736150 /nfs/dbraw/zinc/73/61/50/937736150.db2.gz ZAAYNCGZRMYDEQ-UHFFFAOYSA-N -1 1 293.269 3.078 20 0 CGADMM C[C@@H]1CCC[C@H](C(=O)[N-]Oc2ccc(F)cc2)C1 ZINC001469938195 937746176 /nfs/dbraw/zinc/74/61/76/937746176.db2.gz VPSFJOXFBKECCQ-MNOVXSKESA-N -1 1 251.301 3.062 20 0 CGADMM C[C@H](CN(C)C(=O)c1ccc([O-])cn1)C1CCCCC1 ZINC001471014078 937760517 /nfs/dbraw/zinc/76/05/17/937760517.db2.gz PORRQCCBNGFYBC-GFCCVEGCSA-N -1 1 276.380 3.076 20 0 CGADMM C[C@H](CC(=O)Nc1cccc(F)c1[O-])c1ccco1 ZINC001471167690 937762096 /nfs/dbraw/zinc/76/20/96/937762096.db2.gz GVJHKQYRROQBCX-SECBINFHSA-N -1 1 263.268 3.257 20 0 CGADMM O=C(/C=C\C=C(Cl)Cl)Nc1ccc(F)cc1[O-] ZINC001472535361 937777248 /nfs/dbraw/zinc/77/72/48/937777248.db2.gz SJRUSJKDOZRFLD-IWQZZHSRSA-N -1 1 276.094 3.345 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccccc2C2CC2)n1 ZINC001329100176 935185887 /nfs/dbraw/zinc/18/58/87/935185887.db2.gz PUCONBVJEVNPGX-UHFFFAOYSA-N -1 1 288.372 3.366 20 0 CGADMM C[C@@H]1CCc2[n-]n(C[C@H]3CCCC3(F)F)c(=O)c2C1 ZINC001330066672 935265157 /nfs/dbraw/zinc/26/51/57/935265157.db2.gz FZVBHFPGUTXVEE-MXWKQRLJSA-N -1 1 270.323 3.056 20 0 CGADMM C[C@H](CCC[C@H](C)C(=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC001334827953 936117552 /nfs/dbraw/zinc/11/75/52/936117552.db2.gz NHJZVKMTHNTBQR-NWDGAFQWSA-N -1 1 296.411 3.341 20 0 CGADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)c(F)c1 ZINC001336738549 936213255 /nfs/dbraw/zinc/21/32/55/936213255.db2.gz WKODRGGDHXQENC-QMMMGPOBSA-N -1 1 294.713 3.071 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc2c(o1)CCCC2 ZINC001520231796 938023980 /nfs/dbraw/zinc/02/39/80/938023980.db2.gz RXQLNANFLPSPHA-UHFFFAOYSA-N -1 1 293.269 3.395 20 0 CGADMM O=C([N-]c1nocc1C1CC1)c1cc(-c2ccccc2)on1 ZINC001533969427 938093400 /nfs/dbraw/zinc/09/34/00/938093400.db2.gz IAKJEAHLBGPIAT-UHFFFAOYSA-N -1 1 295.298 3.459 20 0 CGADMM CSc1ccc([O-])c(C(=O)N(C)c2ccccc2)c1 ZINC001538797094 938120548 /nfs/dbraw/zinc/12/05/48/938120548.db2.gz QWGGXWRMEOAJTC-UHFFFAOYSA-N -1 1 273.357 3.391 20 0 CGADMM CC(C)c1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC001540367973 938130639 /nfs/dbraw/zinc/13/06/39/938130639.db2.gz LIVPOEUHURXIDD-UHFFFAOYSA-N -1 1 256.305 3.163 20 0 CGADMM O=C(NCCc1cccc(Cl)c1)c1cccc([O-])c1F ZINC001540410798 938131069 /nfs/dbraw/zinc/13/10/69/938131069.db2.gz JWOACSVITAIAIO-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM CC[C@@H](NC(=O)c1ccc([O-])cn1)c1ccc(Cl)cc1 ZINC001540625304 938132519 /nfs/dbraw/zinc/13/25/19/938132519.db2.gz NZFAMGACHOIVFZ-CYBMUJFWSA-N -1 1 290.750 3.322 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)[C@H]2CCCC[C@H]2C)c1 ZINC001540668112 938132936 /nfs/dbraw/zinc/13/29/36/938132936.db2.gz ZPDIEZGBELIFKN-DOMZBBRYSA-N -1 1 289.375 3.164 20 0 CGADMM CC1(NC(=O)c2ccc3ccc(O)cc3c2[O-])CCCC1 ZINC001542334710 938135826 /nfs/dbraw/zinc/13/58/26/938135826.db2.gz ALLVJPCPOKOSLW-UHFFFAOYSA-N -1 1 285.343 3.314 20 0 CGADMM C[C@@H](CN(C)C(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC001542815585 938137065 /nfs/dbraw/zinc/13/70/65/938137065.db2.gz RFSLSHJLXQORKG-LBPRGKRZSA-N -1 1 287.334 3.407 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccc(Cl)nc1 ZINC001543058648 938137740 /nfs/dbraw/zinc/13/77/40/938137740.db2.gz ORSVMVWJQBVKKN-UHFFFAOYSA-N -1 1 297.141 3.275 20 0 CGADMM O=C(NC[C@@H]1CC=CCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001544221672 938144053 /nfs/dbraw/zinc/14/40/53/938144053.db2.gz UYJNQMGIBZKLQC-GFCCVEGCSA-N -1 1 297.354 3.337 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(F)c([O-])c2)o1 ZINC001544634504 938146210 /nfs/dbraw/zinc/14/62/10/938146210.db2.gz YKNGQCAZOPUDED-SKDRFNHKSA-N -1 1 289.306 3.178 20 0 CGADMM Cc1cnc(C(=O)NCC2CCCCCCC2)c([O-])c1 ZINC001544842835 938147500 /nfs/dbraw/zinc/14/75/00/938147500.db2.gz WYDFQGDAWAIYIE-UHFFFAOYSA-N -1 1 276.380 3.186 20 0 CGADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc([O-])cc1F ZINC001545505164 938149658 /nfs/dbraw/zinc/14/96/58/938149658.db2.gz XESRXYPXMTURDA-JTQLQIEISA-N -1 1 289.306 3.070 20 0 CGADMM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001556189853 938202395 /nfs/dbraw/zinc/20/23/95/938202395.db2.gz IPNXULMPZIOCKQ-LLVKDONJSA-N -1 1 296.326 3.333 20 0 CGADMM C[C@@H]1C[C@@H](CCNC(=O)c2ccc([O-])cn2)CC(C)(C)C1 ZINC001556428094 938203683 /nfs/dbraw/zinc/20/36/83/938203683.db2.gz BQPVHLXAAJWVBB-CHWSQXEVSA-N -1 1 290.407 3.370 20 0 CGADMM CCn1ncc(C)c1NC(=O)c1ccc2ccccc2c1[O-] ZINC001557410158 938209908 /nfs/dbraw/zinc/20/99/08/938209908.db2.gz FTQUQYKTVULVAO-UHFFFAOYSA-N -1 1 295.342 3.323 20 0 CGADMM Cc1cccc(CO[N-]C(=O)C2(C)C(C)(C)C2(C)C)n1 ZINC001557719382 938211450 /nfs/dbraw/zinc/21/14/50/938211450.db2.gz YEDFXZGKIDPMLT-UHFFFAOYSA-N -1 1 276.380 3.010 20 0 CGADMM Cc1cccc(OCCC(=O)Nc2cccc(F)c2[O-])c1 ZINC001557957827 938212668 /nfs/dbraw/zinc/21/26/68/938212668.db2.gz VIXZSBYQULGKEX-UHFFFAOYSA-N -1 1 289.306 3.247 20 0 CGADMM O=C(NC[C@]12C[C@H]1CCC2)c1ccc2ccc(O)cc2c1[O-] ZINC001558481561 938215757 /nfs/dbraw/zinc/21/57/57/938215757.db2.gz NOHHHNHQSYKLKE-XIKOKIGWSA-N -1 1 297.354 3.171 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001558967041 938218567 /nfs/dbraw/zinc/21/85/67/938218567.db2.gz MYRQMKYXRBOTON-ILWJIGKKSA-N -1 1 280.755 3.205 20 0 CGADMM Cc1ccccc1CN(C)Cc1cc(C(=O)[O-])ccc1F ZINC000062755192 957609662 /nfs/dbraw/zinc/60/96/62/957609662.db2.gz AQTGJKYYBFCBQE-UHFFFAOYSA-N -1 1 287.334 3.464 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])sc1C)Cc1ccncc1 ZINC000122745542 958485987 /nfs/dbraw/zinc/48/59/87/958485987.db2.gz CNVWFUSYKUYHSD-UHFFFAOYSA-N -1 1 290.388 3.172 20 0 CGADMM Cc1ccc([C@@H](C)NCc2occc2C(=O)[O-])cc1 ZINC000235215389 960398729 /nfs/dbraw/zinc/39/87/29/960398729.db2.gz CNRYJVAOFITWTK-LLVKDONJSA-N -1 1 259.305 3.137 20 0 CGADMM C[C@H](NCc1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000235518462 960448996 /nfs/dbraw/zinc/44/89/96/960448996.db2.gz AHLWIOTXIAHMRX-JTQLQIEISA-N -1 1 290.750 3.284 20 0 CGADMM CC1(C)CCC[C@@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001566191711 960900332 /nfs/dbraw/zinc/90/03/32/960900332.db2.gz GCRDCXKXNZOWIF-ZDUSSCGKSA-N -1 1 284.359 3.249 20 0 CGADMM CCC[C@@H]1CCCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001566307701 960917111 /nfs/dbraw/zinc/91/71/11/960917111.db2.gz YWTGRPSEPJHKRU-LLVKDONJSA-N -1 1 265.328 3.184 20 0 CGADMM CCN(C(=O)c1cc(C)cc(C=O)c1[O-])C1CC(C)(C)C1 ZINC001570298855 961946135 /nfs/dbraw/zinc/94/61/35/961946135.db2.gz HLBAAPYEHQXPDJ-UHFFFAOYSA-N -1 1 289.375 3.164 20 0 CGADMM CC[C@@H](NC(=O)c1cc(C)cc(C=O)c1[O-])[C@H]1CC1(C)C ZINC001570452802 961970664 /nfs/dbraw/zinc/97/06/64/961970664.db2.gz ZIXCICOGVIOCGW-ZIAGYGMSSA-N -1 1 289.375 3.068 20 0 CGADMM CCSCCSc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001578417526 962585893 /nfs/dbraw/zinc/58/58/93/962585893.db2.gz OFYZKEBXZHMFJT-UHFFFAOYSA-N -1 1 298.412 3.159 20 0 CGADMM COc1cc(C)c(C)cc1NC(=O)c1cccc([O-])c1F ZINC001584322556 962914450 /nfs/dbraw/zinc/91/44/50/962914450.db2.gz SDEIIFBSFVRJCF-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM C/C=C/[C@H](O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001585193321 962996406 /nfs/dbraw/zinc/99/64/06/962996406.db2.gz UGQAQYUIAZIRSV-NDRDAGNVSA-N -1 1 291.734 3.074 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2cccc([O-])c2F)[C@@H](C)C1 ZINC001586187431 963076715 /nfs/dbraw/zinc/07/67/15/963076715.db2.gz FUCWZXSWPRAQEJ-SCVCMEIPSA-N -1 1 265.328 3.086 20 0 CGADMM O=C(CCOc1cccc(F)c1)Nc1cccc(F)c1[O-] ZINC001587389246 963190426 /nfs/dbraw/zinc/19/04/26/963190426.db2.gz COSCKNRFZXMJJJ-UHFFFAOYSA-N -1 1 293.269 3.078 20 0 CGADMM COc1ccc(Cl)cc1C(=O)Nc1cccc(F)c1[O-] ZINC001587384829 963190543 /nfs/dbraw/zinc/19/05/43/963190543.db2.gz CGEFSNAFDKENSS-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CC(C)(C)c1ccc(CNC(=O)c2cccc([O-])c2F)o1 ZINC001587429285 963194042 /nfs/dbraw/zinc/19/40/42/963194042.db2.gz QBQRKMRPVHZVTC-UHFFFAOYSA-N -1 1 291.322 3.352 20 0 CGADMM CCCC[C@H](CC)CNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001588268400 963259977 /nfs/dbraw/zinc/25/99/77/963259977.db2.gz IEXFQFMRBXJUEL-ZDUSSCGKSA-N -1 1 291.391 3.459 20 0 CGADMM O=C(NC[C@@H]1C=CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001589164229 963350012 /nfs/dbraw/zinc/35/00/12/963350012.db2.gz XOEGPVBNQNJHPE-SECBINFHSA-N -1 1 285.265 3.107 20 0 CGADMM CC[C@H]1CCCCN1[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595452053 981112829 /nfs/dbraw/zinc/11/28/29/981112829.db2.gz YRDRQGUGADYZPP-UWVGGRQHSA-N -1 1 268.382 3.167 20 0 CGADMM CC[C@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)CCCO1 ZINC001595486901 981230434 /nfs/dbraw/zinc/23/04/34/981230434.db2.gz GFPXMGORXXEPJH-LBPRGKRZSA-N -1 1 297.782 3.039 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])co1)Cc1c[nH]c2ccccc12 ZINC001596356643 983826510 /nfs/dbraw/zinc/82/65/10/983826510.db2.gz VAYLKBCQSHFHDH-UHFFFAOYSA-N -1 1 298.342 3.481 20 0 CGADMM CCS[C@H]1CCCCN([C@H](C)c2nc(C(=O)[O-])co2)C1 ZINC001597258229 987266911 /nfs/dbraw/zinc/26/69/11/987266911.db2.gz ILTAXSLSDULRRJ-MNOVXSKESA-N -1 1 298.408 3.041 20 0 CGADMM CCc1ccc2c(c1)CN(Cc1cc(C)c(C(=O)[O-])o1)CC2 ZINC001597568681 988325676 /nfs/dbraw/zinc/32/56/76/988325676.db2.gz JVWCQTCSVHQXOX-UHFFFAOYSA-N -1 1 299.370 3.407 20 0 CGADMM CCc1oc(CN2CCC(C)=C(C)C2)cc1C(=O)[O-] ZINC001597795427 989344576 /nfs/dbraw/zinc/34/45/76/989344576.db2.gz AFQQXIHLHIHPPZ-UHFFFAOYSA-N -1 1 263.337 3.082 20 0 CGADMM CC(C)[C@@H]1CCCN(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001591087711 991610553 /nfs/dbraw/zinc/61/05/53/991610553.db2.gz RIICHGUCKFXOIK-LLVKDONJSA-N -1 1 282.409 3.099 20 0 CGADMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccn1 ZINC001593190545 994123588 /nfs/dbraw/zinc/12/35/88/994123588.db2.gz QLPLVUHWXBDFGA-YGRLFVJLSA-N -1 1 290.750 3.212 20 0 CGADMM C[C@H](N[C@H]1CCCc2occc21)c1cncc(C(=O)[O-])c1 ZINC001593219397 994299228 /nfs/dbraw/zinc/29/92/28/994299228.db2.gz NYMILYLQBDUOJM-HZMBPMFUSA-N -1 1 286.331 3.101 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](C)C(C)(C)C1 ZINC001593732177 996309289 /nfs/dbraw/zinc/30/92/89/996309289.db2.gz PIRVYWMLYDROPK-NXEZZACHSA-N -1 1 282.409 3.270 20 0 CGADMM CC1(C)CN(Cc2cncc(C(=O)[O-])c2)Cc2ccccc21 ZINC001593945035 996984491 /nfs/dbraw/zinc/98/44/91/996984491.db2.gz NAEPHBHQLRIJRO-UHFFFAOYSA-N -1 1 296.370 3.073 20 0 CGADMM C[C@H]1[C@H](Nc2cc3c(cn2)CCCC3)CC[C@H]1CC(=O)[O-] ZINC001594184382 998715258 /nfs/dbraw/zinc/71/52/58/998715258.db2.gz JQDROLDYBDGPQK-TYNCELHUSA-N -1 1 288.391 3.262 20 0 CGADMM C[C@H]1C[C@H](C)N1Cc1cc(Br)ccc1C(=O)[O-] ZINC001594232258 998883751 /nfs/dbraw/zinc/88/37/51/998883751.db2.gz HAWQBRLDGSIMST-IUCAKERBSA-N -1 1 298.180 3.130 20 0 CGADMM C[C@@H]1C[C@@H](C)N1Cc1cc(C(=O)[O-])ccc1Cl ZINC001594233745 998891115 /nfs/dbraw/zinc/89/11/15/998891115.db2.gz ZWRMGEPCNJYYHO-RKDXNWHRSA-N -1 1 253.729 3.021 20 0 CGADMM CC12CC(C1)CN2C(=O)c1cc2ccccc2cc1[O-] ZINC000621210973 349471239 /nfs/dbraw/zinc/47/12/39/349471239.db2.gz NRKCXNWZPDPYLS-UHFFFAOYSA-N -1 1 267.328 3.170 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@H]1C1CCCC1 ZINC000651586310 398256421 /nfs/dbraw/zinc/25/64/21/398256421.db2.gz XIZLPGFEWYVBMY-QWRGUYRKSA-N -1 1 263.312 3.296 20 0 CGADMM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000337706536 214226097 /nfs/dbraw/zinc/22/60/97/214226097.db2.gz BTQUAPQQJGLGSJ-JTQLQIEISA-N -1 1 291.363 3.068 20 0 CGADMM C[C@H](NC(=O)c1ncccc1[O-])c1cc2ccccc2o1 ZINC000338026197 214368311 /nfs/dbraw/zinc/36/83/11/214368311.db2.gz UKBDDJCGOZCZAW-JTQLQIEISA-N -1 1 282.299 3.024 20 0 CGADMM Cc1cnc([C@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)o1 ZINC000351288000 219089143 /nfs/dbraw/zinc/08/91/43/219089143.db2.gz KSPXXJIPKZUSMD-LURJTMIESA-N -1 1 287.291 3.270 20 0 CGADMM CN(Cc1cc(F)cc(F)c1)C(=O)c1cc(F)ccc1[O-] ZINC000436905121 529979623 /nfs/dbraw/zinc/97/96/23/529979623.db2.gz YZYKDNDPNQBMKX-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM Cc1cc(CN(C)Cc2ccccc2C)oc1C(=O)[O-] ZINC000048872510 345069866 /nfs/dbraw/zinc/06/98/66/345069866.db2.gz GIWVGFDTMIOSNE-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3cnoc3)s2)o1 ZINC000623939978 349922965 /nfs/dbraw/zinc/92/29/65/349922965.db2.gz LYWGNMBKIQUJDY-UHFFFAOYSA-N -1 1 289.316 3.260 20 0 CGADMM Cc1noc(C)c1[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000070936628 345398585 /nfs/dbraw/zinc/39/85/85/345398585.db2.gz QFARMMAZKYKTHN-SSDOTTSWSA-N -1 1 294.738 3.141 20 0 CGADMM CC1(C)CCC[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC000128690655 346043059 /nfs/dbraw/zinc/04/30/59/346043059.db2.gz USAKDTGLOSTNRI-NSHDSACASA-N -1 1 265.328 3.230 20 0 CGADMM C[C@H](CNC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000132740828 346073130 /nfs/dbraw/zinc/07/31/30/346073130.db2.gz DTISHZNLYYWHQD-LLVKDONJSA-N -1 1 269.344 3.321 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000162747180 346179419 /nfs/dbraw/zinc/17/94/19/346179419.db2.gz REVNRGRCZCWNKK-GWCFXTLKSA-N -1 1 279.767 3.450 20 0 CGADMM CC(C)c1ccc([C@H](C)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000227570085 346310064 /nfs/dbraw/zinc/31/00/64/346310064.db2.gz IXAHVHDCBQRDEH-BBRMVZONSA-N -1 1 291.391 3.047 20 0 CGADMM CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ncccc1O ZINC000584688041 346707167 /nfs/dbraw/zinc/70/71/67/346707167.db2.gz ZSUAGUYDAKOWPA-HNNXBMFYSA-N -1 1 286.375 3.379 20 0 CGADMM CC(C)c1ccc(CCCNC(=O)c2cncc([O-])c2)cc1 ZINC000604902463 348138233 /nfs/dbraw/zinc/13/82/33/348138233.db2.gz XFWNNDNIHYWZQC-UHFFFAOYSA-N -1 1 298.386 3.273 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc2cc(F)ccc2[nH]1 ZINC000605436798 348155191 /nfs/dbraw/zinc/15/51/91/348155191.db2.gz MIYXIXDQGBFMIO-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM O=c1cc(C(F)(F)F)nc(S[C@@H]2C=CCCC2)[n-]1 ZINC000605447844 348155673 /nfs/dbraw/zinc/15/56/73/348155673.db2.gz RMWVAUYUOIQPIY-SSDOTTSWSA-N -1 1 276.283 3.402 20 0 CGADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1F ZINC000605437901 348155744 /nfs/dbraw/zinc/15/57/44/348155744.db2.gz QKFGNRCRRITBJC-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc2ncsc2c1 ZINC000608365921 348301323 /nfs/dbraw/zinc/30/13/23/348301323.db2.gz VOMVCKMVLDWHIZ-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM CS[C@H](C)CCC(=O)Nc1c([O-])cccc1F ZINC000611349788 348440885 /nfs/dbraw/zinc/44/08/85/348440885.db2.gz JMHXPDSFZYQUSK-MRVPVSSYSA-N -1 1 257.330 3.002 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCCC2(CC2)C1 ZINC000613029543 348560855 /nfs/dbraw/zinc/56/08/55/348560855.db2.gz SHVNQHONEWXEFN-SNVBAGLBSA-N -1 1 263.312 3.440 20 0 CGADMM CCCc1c(C)[n-]n(-c2cccc(Cl)c2)c1=O ZINC000614184710 348655830 /nfs/dbraw/zinc/65/58/30/348655830.db2.gz CSGINFWTRXKYHY-GFCCVEGCSA-N -1 1 250.729 3.479 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000615226379 348725361 /nfs/dbraw/zinc/72/53/61/348725361.db2.gz KBWVTBLSWSUBTJ-UONOGXRCSA-N -1 1 299.374 3.021 20 0 CGADMM O=C(NCCC1CSC1)c1ccc2ccccc2c1[O-] ZINC000616403417 348817826 /nfs/dbraw/zinc/81/78/26/348817826.db2.gz PVHTXVKMEJGQPQ-UHFFFAOYSA-N -1 1 287.384 3.028 20 0 CGADMM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000617179185 348926533 /nfs/dbraw/zinc/92/65/33/348926533.db2.gz YQSNATZUTZRLLR-INIZCTEOSA-N -1 1 296.370 3.381 20 0 CGADMM O=C(N[C@@]12C[C@@H]1CCC2)c1cc2ccccc2cc1[O-] ZINC000617202897 348931491 /nfs/dbraw/zinc/93/14/91/348931491.db2.gz VFJRGVAFTBZYMY-GUYCJALGSA-N -1 1 267.328 3.218 20 0 CGADMM Cc1csc(CCCC(=O)Nc2c([O-])cccc2F)n1 ZINC000618032339 349038813 /nfs/dbraw/zinc/03/88/13/349038813.db2.gz DSSIWYZMRHFYOC-UHFFFAOYSA-N -1 1 294.351 3.258 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H](C2CCC2)C1 ZINC000620206353 349338625 /nfs/dbraw/zinc/33/86/25/349338625.db2.gz MLDJTVRHNQQCPV-GFCCVEGCSA-N -1 1 277.339 3.184 20 0 CGADMM CCCCC[C@@H]1CCCCN1C(=O)c1ncccc1[O-] ZINC000620565813 349384115 /nfs/dbraw/zinc/38/41/15/349384115.db2.gz ZYLQUXQVLOTFFX-CYBMUJFWSA-N -1 1 276.380 3.362 20 0 CGADMM C[C@@H](CC(=O)Nc1ccc([O-])c(F)c1F)C(F)(F)F ZINC000627680376 350374537 /nfs/dbraw/zinc/37/45/37/350374537.db2.gz GBCLAPSDKZQDNF-YFKPBYRVSA-N -1 1 283.196 3.197 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@H](C)C2CCOCC2)n1 ZINC000629090704 350649495 /nfs/dbraw/zinc/64/94/95/350649495.db2.gz ZWJQZACMVIMSSV-SNVBAGLBSA-N -1 1 282.409 3.042 20 0 CGADMM C[C@H]1CC[C@@H](CC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)C1 ZINC000629376444 350683297 /nfs/dbraw/zinc/68/32/97/350683297.db2.gz WHGHSWBOXOUBGM-QWHCGFSZSA-N -1 1 299.374 3.343 20 0 CGADMM CC1(C)CCC[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629379402 350684933 /nfs/dbraw/zinc/68/49/33/350684933.db2.gz PAGSOCWRVAYRCG-AWEZNQCLSA-N -1 1 299.374 3.343 20 0 CGADMM C[C@]1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC=CCC1 ZINC000629379524 350685139 /nfs/dbraw/zinc/68/51/39/350685139.db2.gz DVNZMTGNEFBLAU-KRWDZBQOSA-N -1 1 297.358 3.263 20 0 CGADMM C[C@H]1CCCCN(C(=O)N=c2[n-]sc3ccccc32)C1 ZINC000630350246 350828245 /nfs/dbraw/zinc/82/82/45/350828245.db2.gz DZPAVGRUCNNQQO-NSHDSACASA-N -1 1 289.404 3.372 20 0 CGADMM CCC[C@H](CC)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630846275 350897900 /nfs/dbraw/zinc/89/79/00/350897900.db2.gz IOQSWSYMLMLQJZ-NSHDSACASA-N -1 1 269.772 3.283 20 0 CGADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)CC1 ZINC000631926655 351155024 /nfs/dbraw/zinc/15/50/24/351155024.db2.gz FDALQFXYSLBXPN-KYZUINATSA-N -1 1 293.335 3.074 20 0 CGADMM CC(C)(C)c1[nH]cnc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000632029060 351159276 /nfs/dbraw/zinc/15/92/76/351159276.db2.gz BBOSFICZULEFRL-UHFFFAOYSA-N -1 1 293.754 3.319 20 0 CGADMM C[C@H]1CCC[C@@H]1CNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632858129 351225173 /nfs/dbraw/zinc/22/51/73/351225173.db2.gz ZAIPYBLMBVPZAQ-CMPLNLGQSA-N -1 1 281.783 3.141 20 0 CGADMM CC(C)[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C1CC1 ZINC000633643834 351339106 /nfs/dbraw/zinc/33/91/06/351339106.db2.gz XAZYCPHMMBFROL-HNNXBMFYSA-N -1 1 281.783 3.139 20 0 CGADMM COc1ccc(Cn2[n-]c3c(c2=O)CCCCCC3)cc1 ZINC000634597766 351534315 /nfs/dbraw/zinc/53/43/15/351534315.db2.gz UEGJPBNZLARVPD-OAHLLOKOSA-N -1 1 286.375 3.364 20 0 CGADMM Cc1[n-]n(-c2nc3ccccc3cc2C)c(=O)c1C1CC1 ZINC000634615853 351544896 /nfs/dbraw/zinc/54/48/96/351544896.db2.gz TVTQMVSVACAALF-OAHLLOKOSA-N -1 1 279.343 3.292 20 0 CGADMM CCc1nc([C@H](C)NC(=O)c2c([O-])cccc2F)cs1 ZINC000124064453 187121069 /nfs/dbraw/zinc/12/10/69/187121069.db2.gz WMLWRRAPPAQEDS-QMMMGPOBSA-N -1 1 294.351 3.041 20 0 CGADMM CCc1ccc(CC)c(NC(=O)c2cncc([O-])c2)c1 ZINC000339903935 215389805 /nfs/dbraw/zinc/38/98/05/215389805.db2.gz BEUUNDBXGLWCQQ-UHFFFAOYSA-N -1 1 270.332 3.164 20 0 CGADMM CCc1cccnc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000336342127 213190744 /nfs/dbraw/zinc/19/07/44/213190744.db2.gz ARMVDYQVTSYAOE-UHFFFAOYSA-N -1 1 276.723 3.255 20 0 CGADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@@H]1CCC[C@@H](F)C1 ZINC000425141061 236216160 /nfs/dbraw/zinc/21/61/60/236216160.db2.gz FXPPTDQORSINJR-NXEZZACHSA-N -1 1 293.367 3.027 20 0 CGADMM CCCCc1nnc([N-]C(=O)c2cc(CCC)on2)s1 ZINC000294584147 199096281 /nfs/dbraw/zinc/09/62/81/199096281.db2.gz QAIZYTLGTFOXRL-UHFFFAOYSA-N -1 1 294.380 3.074 20 0 CGADMM O=C([O-])C[C@H](NCc1cc(F)ccc1F)c1ccsc1 ZINC000426684385 236306288 /nfs/dbraw/zinc/30/62/88/236306288.db2.gz ZHKAHRYBWXPJLZ-ZDUSSCGKSA-N -1 1 297.326 3.332 20 0 CGADMM O=C([O-])C[C@H](NCc1ccsc1)c1ccc(F)cc1F ZINC000426786860 236314463 /nfs/dbraw/zinc/31/44/63/236314463.db2.gz ZDBWGDBBYBRVHX-ZDUSSCGKSA-N -1 1 297.326 3.332 20 0 CGADMM Cc1cccc(CN[C@@H](C(=O)[O-])c2cccs2)c1C ZINC000426813270 236316373 /nfs/dbraw/zinc/31/63/73/236316373.db2.gz VUEWHJZRJWFMOV-CQSZACIVSA-N -1 1 275.373 3.280 20 0 CGADMM O=C(N[C@@H]1CCc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000436518752 237119902 /nfs/dbraw/zinc/11/99/02/237119902.db2.gz ZOEISARQSFLWPN-CQSZACIVSA-N -1 1 287.746 3.463 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](CC2CC2)C1 ZINC000436720653 237164819 /nfs/dbraw/zinc/16/48/19/237164819.db2.gz GKUJEASJSOKRDB-LLVKDONJSA-N -1 1 279.767 3.308 20 0 CGADMM O=C(N[C@H]1CCC[C@H]1F)c1cc2ccccc2cc1[O-] ZINC000436775874 237180086 /nfs/dbraw/zinc/18/00/86/237180086.db2.gz SBKVCPQROUGXAB-KGLIPLIRSA-N -1 1 273.307 3.166 20 0 CGADMM C/C(=C\c1ccccc1Cl)C(=O)[N-]O[C@H]1CCCCO1 ZINC000179402362 189191703 /nfs/dbraw/zinc/19/17/03/189191703.db2.gz UJKFPRNPOHTYHW-VNDWYCCKSA-N -1 1 295.766 3.318 20 0 CGADMM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc([O-])cc1F ZINC000181227598 189291276 /nfs/dbraw/zinc/29/12/76/189291276.db2.gz ASILDMKNGZUSJT-KRWDZBQOSA-N -1 1 299.345 3.282 20 0 CGADMM C[C@H]1c2ccccc2CCN1Cc1cc(C(=O)[O-])co1 ZINC000516932421 291318392 /nfs/dbraw/zinc/31/83/92/291318392.db2.gz NOCJKEOMSXRAKT-NSHDSACASA-N -1 1 271.316 3.097 20 0 CGADMM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000451045465 240202662 /nfs/dbraw/zinc/20/26/62/240202662.db2.gz XWGUESMDCUBOQL-DTWKUNHWSA-N -1 1 293.841 3.259 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C1CC2(CCC2)C1 ZINC000335553853 212259836 /nfs/dbraw/zinc/25/98/36/212259836.db2.gz QAOISBWRRBREDB-UHFFFAOYSA-N -1 1 267.275 3.189 20 0 CGADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C)c2C)c1 ZINC000121639953 370881322 /nfs/dbraw/zinc/88/13/22/370881322.db2.gz QSFLMOOEDBTDTK-UHFFFAOYSA-N -1 1 298.342 3.220 20 0 CGADMM CCCc1cc(=O)[n-]c(SCC2(OC)CCCC2)n1 ZINC000478553784 243079117 /nfs/dbraw/zinc/07/91/17/243079117.db2.gz NZOFZXVYDJVSAT-UHFFFAOYSA-N -1 1 282.409 3.186 20 0 CGADMM CCC(C)(C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000019836965 368769572 /nfs/dbraw/zinc/76/95/72/368769572.db2.gz MPDILUOBNRZJKU-UHFFFAOYSA-N -1 1 257.333 3.464 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2ccc(Cl)cc2[O-])o1 ZINC000035122541 368998592 /nfs/dbraw/zinc/99/85/92/368998592.db2.gz HWMMHLGFCHQSEK-UHFFFAOYSA-N -1 1 279.723 3.219 20 0 CGADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1 ZINC000040214803 369153469 /nfs/dbraw/zinc/15/34/69/369153469.db2.gz LNDLYYINHCSNLI-UHFFFAOYSA-N -1 1 291.372 3.146 20 0 CGADMM Cc1noc([N-]C(=O)c2ccc(-c3ccccc3F)o2)n1 ZINC000042703465 369229151 /nfs/dbraw/zinc/22/91/51/369229151.db2.gz JXZNFQLKJODVBO-UHFFFAOYSA-N -1 1 287.250 3.029 20 0 CGADMM CCN(CC(F)(F)F)C(=O)c1ccc(Cl)cc1[O-] ZINC000047873024 369330879 /nfs/dbraw/zinc/33/08/79/369330879.db2.gz NTXOCLDXTOZPQS-UHFFFAOYSA-N -1 1 281.661 3.070 20 0 CGADMM CCOCc1ccc(-c2nc(=O)c3sccc3[n-]2)cc1 ZINC000048606369 369361538 /nfs/dbraw/zinc/36/15/38/369361538.db2.gz RSSBPBJWDSYRLF-UHFFFAOYSA-N -1 1 286.356 3.188 20 0 CGADMM O=C(NCCCc1cccs1)c1cc(Cl)ccc1[O-] ZINC000537725569 376197288 /nfs/dbraw/zinc/19/72/88/376197288.db2.gz UMKXXOUACHPRNL-UHFFFAOYSA-N -1 1 295.791 3.470 20 0 CGADMM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ncccc1[O-] ZINC000062017594 369615067 /nfs/dbraw/zinc/61/50/67/369615067.db2.gz GAOXDSAICUEZML-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM Cc1ccc(Cc2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC000132982766 371217509 /nfs/dbraw/zinc/21/75/09/371217509.db2.gz AHSHWBRWZPDLNG-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM CC[C@@H](C)[C@H](C)N(C(=O)c1ncc(C)cc1[O-])C1CC1 ZINC000331931228 204307245 /nfs/dbraw/zinc/30/72/45/204307245.db2.gz GUUHNNVQADKKMD-NEPJUHHUSA-N -1 1 276.380 3.135 20 0 CGADMM CCCCc1nnc([N-]C(=O)c2cc(C(C)C)on2)s1 ZINC000134135749 371306236 /nfs/dbraw/zinc/30/62/36/371306236.db2.gz XUMFVXPXFZOEFZ-UHFFFAOYSA-N -1 1 294.380 3.244 20 0 CGADMM CCSCC[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000135394105 371421981 /nfs/dbraw/zinc/42/19/81/371421981.db2.gz DKOBUKZELNUYPQ-SECBINFHSA-N -1 1 287.812 3.307 20 0 CGADMM O=C(Nc1ccc(Cl)cc1)c1ccc(O)cc1[O-] ZINC000139129685 371506411 /nfs/dbraw/zinc/50/64/11/371506411.db2.gz CVGFWMFMQIEMAU-UHFFFAOYSA-N -1 1 263.680 3.004 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC[C@H](C2CCCC2)C1 ZINC000421947421 371712375 /nfs/dbraw/zinc/71/23/75/371712375.db2.gz JTDZIRQTTNGDQE-LBPRGKRZSA-N -1 1 277.339 3.184 20 0 CGADMM Cc1c(NC(=O)c2ccccc2[O-])cnn1-c1ccccc1 ZINC000153346493 371763572 /nfs/dbraw/zinc/76/35/72/371763572.db2.gz DMQQGPCLXAPJCE-UHFFFAOYSA-N -1 1 293.326 3.139 20 0 CGADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(Br)c([O-])c1 ZINC000154153714 371823102 /nfs/dbraw/zinc/82/31/02/371823102.db2.gz PXCFKZYWHLPLRE-IUCAKERBSA-N -1 1 298.180 3.168 20 0 CGADMM O=C(Nc1cccc(-c2ncco2)c1)c1cc(F)ccc1[O-] ZINC000154171316 371824120 /nfs/dbraw/zinc/82/41/20/371824120.db2.gz ABGSHOVBRUCEMB-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM Cc1ccc2cccc(NC(=O)c3ccc(O)cc3[O-])c2n1 ZINC000171285068 372735970 /nfs/dbraw/zinc/73/59/70/372735970.db2.gz URSWNEZARRGUSX-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM C[C@H](NC(=O)c1cncc([O-])c1)c1cc2ccccc2s1 ZINC000171871291 372844208 /nfs/dbraw/zinc/84/42/08/372844208.db2.gz ZKXXPJFRBXUTEF-JTQLQIEISA-N -1 1 298.367 3.493 20 0 CGADMM Cc1cnc([C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)o1 ZINC000333294510 205193174 /nfs/dbraw/zinc/19/31/74/205193174.db2.gz RYTPZKSAJQBRKO-QMMMGPOBSA-N -1 1 277.349 3.209 20 0 CGADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000176670580 373622944 /nfs/dbraw/zinc/62/29/44/373622944.db2.gz QPXKIHSKLMOPRK-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM CCc1nsc([N-]c2cnn([C@@H](C)C3CC3)c2)n1 ZINC000302354633 373856182 /nfs/dbraw/zinc/85/61/82/373856182.db2.gz CCXMUJPLZSEHGX-QMMMGPOBSA-N -1 1 263.370 3.012 20 0 CGADMM CC(=O)c1[n-]c(=N[C@@H]2CCc3cc(F)ccc32)sc1C ZINC000450272341 374033846 /nfs/dbraw/zinc/03/38/46/374033846.db2.gz BHKRGSYEDMGIGZ-CYBMUJFWSA-N -1 1 290.363 3.315 20 0 CGADMM Cc1nn(-c2ccccc2)cc1NC(=O)c1ccccc1[O-] ZINC000181219844 374094621 /nfs/dbraw/zinc/09/46/21/374094621.db2.gz GEMAHGPSYXZPMU-UHFFFAOYSA-N -1 1 293.326 3.139 20 0 CGADMM CCCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182922197 374343211 /nfs/dbraw/zinc/34/32/11/374343211.db2.gz AILROWUNQYIZCY-UHFFFAOYSA-N -1 1 272.142 3.202 20 0 CGADMM Cc1ccoc1CNCc1cccc([O-])c1Cl ZINC000328220074 374360395 /nfs/dbraw/zinc/36/03/95/374360395.db2.gz LGOVZPXRQQZWPP-UHFFFAOYSA-N -1 1 251.713 3.237 20 0 CGADMM Cc1ccsc1C(=O)Nc1ccc(F)cc1[O-] ZINC000334231764 206227246 /nfs/dbraw/zinc/22/72/46/206227246.db2.gz LVBGILPCQGGRQD-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C(C1CC1)C1CC1 ZINC000456762105 374617572 /nfs/dbraw/zinc/61/75/72/374617572.db2.gz AIAKAHGBZSTFFV-UHFFFAOYSA-N -1 1 267.275 3.045 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CCSCC1 ZINC000334250777 206258696 /nfs/dbraw/zinc/25/86/96/206258696.db2.gz AOODYLDBKNLNLL-UHFFFAOYSA-N -1 1 271.769 3.127 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C1=CCCCC1 ZINC000335214326 375234248 /nfs/dbraw/zinc/23/42/48/375234248.db2.gz FUCCCRRTEULNKP-UHFFFAOYSA-N -1 1 253.248 3.109 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000335213550 375233075 /nfs/dbraw/zinc/23/30/75/375233075.db2.gz CYUCODWTQGOIPE-HTQZYQBOSA-N -1 1 255.264 3.045 20 0 CGADMM [O-]c1cccc(CN2CCO[C@@H](c3ccco3)C2)c1Cl ZINC000335748360 375396869 /nfs/dbraw/zinc/39/68/69/375396869.db2.gz TZDSPBNOLPWIFD-CQSZACIVSA-N -1 1 293.750 3.212 20 0 CGADMM Cc1ccncc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000335908297 375532006 /nfs/dbraw/zinc/53/20/06/375532006.db2.gz UYWVDPCIMKDOHN-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM CN(Cc1cccs1)C(=O)c1c(F)ccc([O-])c1F ZINC000335888631 375516519 /nfs/dbraw/zinc/51/65/19/375516519.db2.gz PBQWQKLCPRUEGX-UHFFFAOYSA-N -1 1 283.299 3.004 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CCC(F)(F)C3)n2)c(F)c1 ZINC000336158143 375735699 /nfs/dbraw/zinc/73/56/99/375735699.db2.gz YJKARUUBXQJXBH-ZETCQYMHSA-N -1 1 284.237 3.484 20 0 CGADMM Cc1oc(C2CC2)nc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000336164830 375742731 /nfs/dbraw/zinc/74/27/31/375742731.db2.gz KPMUTGGELLMCEM-UHFFFAOYSA-N -1 1 292.722 3.472 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CC12CCSCC2 ZINC000336196815 375758725 /nfs/dbraw/zinc/75/87/25/375758725.db2.gz AJBATTSECMOMHF-SNVBAGLBSA-N -1 1 281.352 3.003 20 0 CGADMM Cc1nnc([C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)s1 ZINC000195084328 376075668 /nfs/dbraw/zinc/07/56/68/376075668.db2.gz OXNIINCTDLMNOB-LURJTMIESA-N -1 1 294.405 3.073 20 0 CGADMM CC1(C)CCN(C(=O)c2cc(Cl)ccc2[O-])CCS1 ZINC000228669589 376445700 /nfs/dbraw/zinc/44/57/00/376445700.db2.gz YVKQIFKWLAXYIK-UHFFFAOYSA-N -1 1 299.823 3.403 20 0 CGADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccn1 ZINC000235847380 376652613 /nfs/dbraw/zinc/65/26/13/376652613.db2.gz PDYMYNMJJPBWPO-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM CCCc1ncc(C(=O)Nc2ccc(F)cc2[O-])s1 ZINC000340331366 377007359 /nfs/dbraw/zinc/00/73/59/377007359.db2.gz VTIKRWPYPJQYJC-UHFFFAOYSA-N -1 1 280.324 3.193 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc(-c2ccccc2)no1 ZINC000340333006 377010988 /nfs/dbraw/zinc/01/09/88/377010988.db2.gz PNBJBKYOPZCFQV-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC000091984380 249031574 /nfs/dbraw/zinc/03/15/74/249031574.db2.gz VNNXFGSXKZJJGE-BDJLRTHQSA-N -1 1 285.318 3.365 20 0 CGADMM Cc1ccc([C@@H](NCc2ccc(F)cc2F)C(=O)[O-])cc1 ZINC000578004522 378028570 /nfs/dbraw/zinc/02/85/70/378028570.db2.gz IHZRJTRCNCMIBV-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2ncc(Cl)s2)[n-]1 ZINC000577930942 378024281 /nfs/dbraw/zinc/02/42/81/378024281.db2.gz GUOFUKYZWYHPSF-UHFFFAOYSA-N -1 1 299.808 3.462 20 0 CGADMM [O-]c1ccc(-c2noc(C[C@@H]3CC[C@@H]4C[C@@H]43)n2)cc1F ZINC000580815710 378261436 /nfs/dbraw/zinc/26/14/36/378261436.db2.gz LRMOQDYPWLYSDB-YWVKMMECSA-N -1 1 274.295 3.170 20 0 CGADMM CCCCN(C(=O)c1ncccc1[O-])C1CCCCC1 ZINC000275227017 378950700 /nfs/dbraw/zinc/95/07/00/378950700.db2.gz DWAIJLJZJACZKX-UHFFFAOYSA-N -1 1 276.380 3.362 20 0 CGADMM CC(C)([N-]C(=O)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000278740654 194133274 /nfs/dbraw/zinc/13/32/74/194133274.db2.gz RVKYCGMOEWGVDQ-UHFFFAOYSA-N -1 1 281.224 3.322 20 0 CGADMM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ncccc3[O-])C2)cc1 ZINC000278836966 194176533 /nfs/dbraw/zinc/17/65/33/194176533.db2.gz CXWPTUFVVWUHSN-UKRRQHHQSA-N -1 1 296.370 3.114 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CC=CCC3)n2)cc1F ZINC000278221915 379320928 /nfs/dbraw/zinc/32/09/28/379320928.db2.gz QZLOJVCANVYNTJ-VIFPVBQESA-N -1 1 260.268 3.405 20 0 CGADMM C[C@@H]1CC(=O)CC[C@@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278116489 379295672 /nfs/dbraw/zinc/29/56/72/379295672.db2.gz JDLBKUVJSCMHJD-KCJUWKMLSA-N -1 1 290.294 3.054 20 0 CGADMM C[C@H]1CC(=O)CC[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278116483 379295820 /nfs/dbraw/zinc/29/58/20/379295820.db2.gz JDLBKUVJSCMHJD-GZMMTYOYSA-N -1 1 290.294 3.054 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccsc2)cc1C ZINC000349949612 379455488 /nfs/dbraw/zinc/45/54/88/379455488.db2.gz RWFIKQZWKFSQPT-UHFFFAOYSA-N -1 1 267.375 3.166 20 0 CGADMM C[C@@H]1CC(c2nc(-c3ccc([O-])cc3F)no2)C[C@@H](C)O1 ZINC000350818198 379589757 /nfs/dbraw/zinc/58/97/57/379589757.db2.gz YSZPPFVUVIPCRZ-RKDXNWHRSA-N -1 1 292.310 3.252 20 0 CGADMM CO[C@@H]1CCC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000350568407 379562367 /nfs/dbraw/zinc/56/23/67/379562367.db2.gz XJNZYFXBMWHYFI-MWLCHTKSSA-N -1 1 292.310 3.254 20 0 CGADMM O=C(NCCCC1CCCC1)c1c(F)ccc([O-])c1F ZINC000280674764 379761318 /nfs/dbraw/zinc/76/13/18/379761318.db2.gz BVGYANBTDSFPEJ-UHFFFAOYSA-N -1 1 283.318 3.371 20 0 CGADMM CCO[C@@H]1C[C@H](NCc2c(F)ccc(O)c2F)C12CCC2 ZINC000352570326 379862946 /nfs/dbraw/zinc/86/29/46/379862946.db2.gz FZDBSAFVNPDKRP-UONOGXRCSA-N -1 1 297.345 3.108 20 0 CGADMM CCCC1CCC(N=c2nc([C@H](C)OC)[n-]s2)CC1 ZINC000388298965 379884302 /nfs/dbraw/zinc/88/43/02/379884302.db2.gz ZYIHEJNAQIKNPI-UNXYVOJBSA-N -1 1 283.441 3.438 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc(C)c(OC)c2)n1 ZINC000641476189 380014957 /nfs/dbraw/zinc/01/49/57/380014957.db2.gz HSBUWLJGZYGQQI-UHFFFAOYSA-N -1 1 290.388 3.354 20 0 CGADMM Cc1c(=O)[n-]c(SCCCCO)nc1-c1ccccc1 ZINC000283791540 380091035 /nfs/dbraw/zinc/09/10/35/380091035.db2.gz FVHRSADYUKEXHJ-UHFFFAOYSA-N -1 1 290.388 3.022 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)nc2C)c1 ZINC000268059564 190373472 /nfs/dbraw/zinc/37/34/72/190373472.db2.gz TVDBOXSHJYCICI-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM CCc1ccc(-c2ccc(CN(C)[C@H](C)C(=O)[O-])o2)cc1 ZINC000414687900 380374138 /nfs/dbraw/zinc/37/41/38/380374138.db2.gz XYBHIQCIVCSPTM-GFCCVEGCSA-N -1 1 287.359 3.414 20 0 CGADMM C[C@@H]1CCCC[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000644689212 380485036 /nfs/dbraw/zinc/48/50/36/380485036.db2.gz UBLSLLCSLHNILB-NXEZZACHSA-N -1 1 251.301 3.296 20 0 CGADMM [O-]c1cccc(CN2CCOC[C@@H]2CC2CCC2)c1Cl ZINC000354734367 380543322 /nfs/dbraw/zinc/54/33/22/380543322.db2.gz QKEWFIYGAYDTQJ-AWEZNQCLSA-N -1 1 295.810 3.437 20 0 CGADMM Cc1c(C(=O)Nc2c([O-])cccc2F)ccn1C(C)C ZINC000645926894 380780663 /nfs/dbraw/zinc/78/06/63/380780663.db2.gz JKNSHOGMDZJALL-UHFFFAOYSA-N -1 1 276.311 3.474 20 0 CGADMM CCC[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000348850470 218759343 /nfs/dbraw/zinc/75/93/43/218759343.db2.gz UJFCETPAGJQOEN-SNVBAGLBSA-N -1 1 283.318 3.323 20 0 CGADMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2c(C)noc2C)s1 ZINC000361649634 381857955 /nfs/dbraw/zinc/85/79/55/381857955.db2.gz FLROFDRAYZABBQ-VIFPVBQESA-N -1 1 295.364 3.098 20 0 CGADMM COC[C@H](C)[C@@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436654655 533006228 /nfs/dbraw/zinc/00/62/28/533006228.db2.gz DITKOCIHLCLXNK-DTWKUNHWSA-N -1 1 296.754 3.482 20 0 CGADMM COc1ccccc1[C@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC000436929064 533005893 /nfs/dbraw/zinc/00/58/93/533005893.db2.gz ULCISYXNYLCFPO-JTQLQIEISA-N -1 1 289.306 3.031 20 0 CGADMM C[C@]1(c2nc(-c3ccc([O-])cc3Cl)no2)C[C@H]1F ZINC000335249026 208023941 /nfs/dbraw/zinc/02/39/41/208023941.db2.gz MHNVVDGMKQXWLD-SKDRFNHKSA-N -1 1 268.675 3.095 20 0 CGADMM CCC1(CC)CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289211716 197263795 /nfs/dbraw/zinc/26/37/95/197263795.db2.gz BZBUNWLVOKBUSG-UHFFFAOYSA-N -1 1 283.318 3.323 20 0 CGADMM CC(C)[C@@H]1C[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289124498 197240791 /nfs/dbraw/zinc/24/07/91/197240791.db2.gz QQFYGZBAHNBKED-VHSXEESVSA-N -1 1 262.284 3.341 20 0 CGADMM O=S(=O)(CCCCF)[N-]c1ccccc1C(F)(F)F ZINC000288569975 197114963 /nfs/dbraw/zinc/11/49/63/197114963.db2.gz KQHHMRKGQVABOZ-UHFFFAOYSA-N -1 1 299.289 3.197 20 0 CGADMM CN(C(=O)c1ccc2ccccc2c1[O-])c1cccnc1 ZINC000070231246 392180130 /nfs/dbraw/zinc/18/01/30/392180130.db2.gz QAHKPWSIVRZVJG-UHFFFAOYSA-N -1 1 278.311 3.217 20 0 CGADMM COC(=O)c1cnc(/C=C/c2ccc([O-])c(Cl)c2)s1 ZINC000072084363 392195339 /nfs/dbraw/zinc/19/53/39/392195339.db2.gz PHLCFEJPUWNNTD-HWKANZROSA-N -1 1 295.747 3.459 20 0 CGADMM CCC[C@H](CC)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000291549757 392466698 /nfs/dbraw/zinc/46/66/98/392466698.db2.gz PYFABIRHGSVYBL-NSHDSACASA-N -1 1 293.411 3.097 20 0 CGADMM C[C@H](O)C[C@@H]1CCCCCN1Cc1c(F)ccc(O)c1F ZINC000294816487 392540033 /nfs/dbraw/zinc/54/00/33/392540033.db2.gz XEPGRCTXMAWRIU-RYUDHWBXSA-N -1 1 299.361 3.186 20 0 CGADMM CC[C@@H](CC(=O)Nc1cc(C(=O)OC)ccc1[O-])C(C)C ZINC000505738197 392692304 /nfs/dbraw/zinc/69/23/04/392692304.db2.gz NVDHXNMBSNYUBT-NSHDSACASA-N -1 1 293.363 3.190 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H](c1ccccc1)C(C)C ZINC000647816430 392809249 /nfs/dbraw/zinc/80/92/49/392809249.db2.gz IQOYAURXUIZFMH-CYBMUJFWSA-N -1 1 287.363 3.192 20 0 CGADMM O=C([O-])c1ccoc1CN1Cc2ccccc2C2(CC2)C1 ZINC000516481819 392864565 /nfs/dbraw/zinc/86/45/65/392864565.db2.gz RGCVLBMOXFDGIZ-UHFFFAOYSA-N -1 1 283.327 3.025 20 0 CGADMM Cc1nc(CNCc2cccc([O-])c2Cl)cs1 ZINC000383041755 392921382 /nfs/dbraw/zinc/92/13/82/392921382.db2.gz HLYQYUQCVNDWQI-UHFFFAOYSA-N -1 1 268.769 3.100 20 0 CGADMM Cc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])o2)o1 ZINC000521257721 542739105 /nfs/dbraw/zinc/73/91/05/542739105.db2.gz OXPXDBWYCSWGEQ-GFCCVEGCSA-N -1 1 275.304 3.216 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCCCC1(F)F ZINC000648940599 393296276 /nfs/dbraw/zinc/29/62/76/393296276.db2.gz QPOBBPBTPMZEBQ-QMMMGPOBSA-N -1 1 273.254 3.295 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)CCc1ccc2ccccc2c1 ZINC000646409155 393280614 /nfs/dbraw/zinc/28/06/14/393280614.db2.gz ARJKMTURZNARHT-UHFFFAOYSA-N -1 1 295.342 3.148 20 0 CGADMM CC(=O)c1[n-]c(=N[C@@H](C)c2ccsc2)sc1C ZINC000649357372 393404755 /nfs/dbraw/zinc/40/47/55/393404755.db2.gz BRVQHCOLHHKAHL-ZETCQYMHSA-N -1 1 266.391 3.311 20 0 CGADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000488300003 393481758 /nfs/dbraw/zinc/48/17/58/393481758.db2.gz RFKPDRIJIKABDK-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1cncc([O-])c1 ZINC000670809749 543158112 /nfs/dbraw/zinc/15/81/12/543158112.db2.gz NOIJZALBMJJSPC-QGZVFWFLSA-N -1 1 296.370 3.183 20 0 CGADMM CC[C@@H](C(=O)[O-])N(C)Cc1cc2cc(C)c(C)cc2o1 ZINC000650807146 397928338 /nfs/dbraw/zinc/92/83/38/397928338.db2.gz QOFMWTBERASQPE-AWEZNQCLSA-N -1 1 275.348 3.345 20 0 CGADMM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ncccc2[O-])C1 ZINC000342722205 296662714 /nfs/dbraw/zinc/66/27/14/296662714.db2.gz ALGPENQOXSEYNF-HIFRSBDPSA-N -1 1 296.370 3.401 20 0 CGADMM Cc1ccc2c(c1)CN(Cc1cccc(C(=O)[O-])c1)CCO2 ZINC000263429397 292326386 /nfs/dbraw/zinc/32/63/86/292326386.db2.gz RQAXKEAQRMSFSH-UHFFFAOYSA-N -1 1 297.354 3.088 20 0 CGADMM CC(C)[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCS1 ZINC000075349022 287024159 /nfs/dbraw/zinc/02/41/59/287024159.db2.gz QAQPNRBKQQKOPS-CYBMUJFWSA-N -1 1 299.823 3.259 20 0 CGADMM CN(Cc1nccs1)C(=O)c1ccc2ccccc2c1[O-] ZINC000080652244 287067261 /nfs/dbraw/zinc/06/72/61/287067261.db2.gz VNNRFXASZVUXCX-UHFFFAOYSA-N -1 1 298.367 3.274 20 0 CGADMM CSc1cccc(N(C)C(=O)c2ccccc2[O-])c1 ZINC000101837216 165411099 /nfs/dbraw/zinc/41/10/99/165411099.db2.gz LECDMLMBRVWRID-UHFFFAOYSA-N -1 1 273.357 3.391 20 0 CGADMM COc1ccc(-c2noc(-c3ccc(OC)cc3[O-])n2)cc1 ZINC000109037258 287127568 /nfs/dbraw/zinc/12/75/68/287127568.db2.gz BXZJIPXDRJRMCN-UHFFFAOYSA-N -1 1 298.298 3.126 20 0 CGADMM O=C(NC[C@@H]1CCCS1)c1cc2ccccc2cc1[O-] ZINC000124043734 287229007 /nfs/dbraw/zinc/22/90/07/287229007.db2.gz YKDZUJKYJJNOFW-ZDUSSCGKSA-N -1 1 287.384 3.171 20 0 CGADMM Cc1ccc(C[C@@H](C)NC(=O)c2cc(F)ccc2[O-])s1 ZINC000124062053 287229015 /nfs/dbraw/zinc/22/90/15/287229015.db2.gz PPGYBKDLHHBIIZ-SECBINFHSA-N -1 1 293.363 3.262 20 0 CGADMM CC[C@@H](C)CN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000037173910 173007687 /nfs/dbraw/zinc/00/76/87/173007687.db2.gz YOSUJEIYGRIQBX-SECBINFHSA-N -1 1 255.745 3.164 20 0 CGADMM CC(C)C[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000037265429 173074077 /nfs/dbraw/zinc/07/40/77/173074077.db2.gz SOOCOBPFLLXOSQ-VIFPVBQESA-N -1 1 255.745 3.210 20 0 CGADMM O=C([O-])CC[C@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000043585847 175071908 /nfs/dbraw/zinc/07/19/08/175071908.db2.gz WBBKBIZRMGJCIS-LLVKDONJSA-N -1 1 283.318 3.042 20 0 CGADMM CC1(C(=O)[O-])CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000062844409 416487726 /nfs/dbraw/zinc/48/77/26/416487726.db2.gz 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/nfs/dbraw/zinc/76/25/07/543762507.db2.gz FXWSFIHMIHMKCY-GFCCVEGCSA-N -1 1 279.355 3.430 20 0 CGADMM Cc1cnc(C(=O)N2CCC(C3CCCC3)CC2)c([O-])c1 ZINC000681733965 543804789 /nfs/dbraw/zinc/80/47/89/543804789.db2.gz CXVUHYDZZNRJLV-UHFFFAOYSA-N -1 1 288.391 3.138 20 0 CGADMM CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc([O-])c(F)c1 ZINC000682174413 543834202 /nfs/dbraw/zinc/83/42/02/543834202.db2.gz MEFKOZLRQZVRRS-JTQLQIEISA-N -1 1 293.260 3.238 20 0 CGADMM Cc1cnc([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])s1 ZINC000134945922 287456988 /nfs/dbraw/zinc/45/69/88/287456988.db2.gz AKHIBTGCTVZMPM-MRVPVSSYSA-N -1 1 296.779 3.302 20 0 CGADMM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000654308902 418959230 /nfs/dbraw/zinc/95/92/30/418959230.db2.gz PJWABZOBYFGBGO-LURJTMIESA-N -1 1 296.273 3.017 20 0 CGADMM CC(C)(C)OCCCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659790925 418991961 /nfs/dbraw/zinc/99/19/61/418991961.db2.gz SKQNCEDLPGXVSD-UHFFFAOYSA-N -1 1 291.391 3.296 20 0 CGADMM C[C@H]1C[C@H](C)CN(C(=O)c2ncc3ccccc3c2[O-])C1 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CGADMM CSc1ccc([O-])c(-c2nc(CC(C)C)no2)c1 ZINC000663303380 419544232 /nfs/dbraw/zinc/54/42/32/419544232.db2.gz NJVHWKZWGZDLBR-UHFFFAOYSA-N -1 1 264.350 3.363 20 0 CGADMM CC(C)CCC[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000226267731 287634293 /nfs/dbraw/zinc/63/42/93/287634293.db2.gz SHQJFALQVCOQSP-LLVKDONJSA-N -1 1 267.344 3.476 20 0 CGADMM CC1=CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000230812796 287640859 /nfs/dbraw/zinc/64/08/59/287640859.db2.gz QOYQUJATOFTENZ-UHFFFAOYSA-N -1 1 267.328 3.338 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)CC(C)C)c1 ZINC000182904399 270054537 /nfs/dbraw/zinc/05/45/37/270054537.db2.gz DVRHYCCMAPBOGK-UHFFFAOYSA-N -1 1 286.169 3.448 20 0 CGADMM Cc1ccc(-c2n[nH]c(NC(=O)C[C@H]3CCC[C@H]3C)n2)o1 ZINC000184038755 270057198 /nfs/dbraw/zinc/05/71/98/270057198.db2.gz IAFFKCHNBXMAMV-MWLCHTKSSA-N -1 1 288.351 3.138 20 0 CGADMM CC[C@@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000228836966 270088074 /nfs/dbraw/zinc/08/80/74/270088074.db2.gz UCBNXGPNMROHHQ-PWSUYJOCSA-N -1 1 265.328 3.230 20 0 CGADMM CC[C@@H]1CCC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000228854237 270088103 /nfs/dbraw/zinc/08/81/03/270088103.db2.gz MJYXFRFHPQNIDF-MNOVXSKESA-N -1 1 265.328 3.230 20 0 CGADMM CCC[C@H]1CCCCN1C(=O)c1ccc([O-])cc1F ZINC000230661426 270089062 /nfs/dbraw/zinc/08/90/62/270089062.db2.gz SUZGLBLYXUEFFB-NSHDSACASA-N -1 1 265.328 3.326 20 0 CGADMM CC1=CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000520823869 270099193 /nfs/dbraw/zinc/09/91/93/270099193.db2.gz OBUUPEYICTWYGK-UHFFFAOYSA-N -1 1 295.766 3.069 20 0 CGADMM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000532621056 270218042 /nfs/dbraw/zinc/21/80/42/270218042.db2.gz LNQGKTJSGKDROO-ZYHUDNBSSA-N -1 1 281.327 3.065 20 0 CGADMM Cc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1O ZINC000236001713 287650804 /nfs/dbraw/zinc/65/08/04/287650804.db2.gz FVUIAPYJWAULMW-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM CC(C)c1cccc2c1CCN(C(=O)c1ncccc1[O-])C2 ZINC000188111770 276060321 /nfs/dbraw/zinc/06/03/21/276060321.db2.gz ZDYPFESIQSBWHZ-UHFFFAOYSA-N -1 1 296.370 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281.764 3.346 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCc2ccsc2C1 ZINC000152687039 321703751 /nfs/dbraw/zinc/70/37/51/321703751.db2.gz SQBHHNZMAPHDBL-UHFFFAOYSA-N -1 1 293.775 3.306 20 0 CGADMM CC[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000153545103 321722058 /nfs/dbraw/zinc/72/20/58/321722058.db2.gz GNONLUSCDLEAEU-VIFPVBQESA-N -1 1 298.180 3.027 20 0 CGADMM CCC(C)(C)[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000564982711 322052178 /nfs/dbraw/zinc/05/21/78/322052178.db2.gz WTCKXMBMDFCRBT-CQSZACIVSA-N -1 1 275.348 3.412 20 0 CGADMM Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000565108066 322061142 /nfs/dbraw/zinc/06/11/42/322061142.db2.gz UJBIOGSWYSFYRB-ZDUSSCGKSA-N -1 1 287.359 3.349 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])oc1C)Cc1cccc(F)c1 ZINC000567242232 322156000 /nfs/dbraw/zinc/15/60/00/322156000.db2.gz XERLASDLFAXJRD-UHFFFAOYSA-N -1 1 291.322 3.447 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1Cc2cccnc2C1 ZINC000568316927 322204632 /nfs/dbraw/zinc/20/46/32/322204632.db2.gz WDAHDSVMFJSDNJ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/49/86/21/528498621.db2.gz MVMKMNGYGXNZTC-QGZVFWFLSA-N -1 1 289.375 3.004 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H](C)C(F)(F)F)n1 ZINC000439046092 528613803 /nfs/dbraw/zinc/61/38/03/528613803.db2.gz VXHUXIBJWJJKQR-SSDOTTSWSA-N -1 1 280.315 3.425 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000436895958 528734736 /nfs/dbraw/zinc/73/47/36/528734736.db2.gz WLXAKQSRNOGPGM-KRWDZBQOSA-N -1 1 299.370 3.042 20 0 CGADMM CCC1(CC)CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000436995042 529074142 /nfs/dbraw/zinc/07/41/42/529074142.db2.gz BSGPTLBSUIOPTB-UHFFFAOYSA-N -1 1 297.782 3.316 20 0 CGADMM O=C([N-][C@@H]1CCCC[C@@H]1c1ccccc1)C(F)(F)F ZINC000729341336 571900063 /nfs/dbraw/zinc/90/00/63/571900063.db2.gz MBXANVSVMCSNQN-VXGBXAGGSA-N -1 1 271.282 3.391 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1Cc2ccccc2C1 ZINC000730034601 571943545 /nfs/dbraw/zinc/94/35/45/571943545.db2.gz IVSDTPUDVOENHQ-UHFFFAOYSA-N -1 1 273.719 3.202 20 0 CGADMM Cc1cc(CNC(C)(C)c2ccc(F)cc2)oc1C(=O)[O-] ZINC000738388586 572373198 /nfs/dbraw/zinc/37/31/98/572373198.db2.gz JRCXLXITXVCZNC-UHFFFAOYSA-N -1 1 291.322 3.450 20 0 CGADMM C[C@H](c1ccccc1Cl)N1CCCN(C(=O)[O-])CC1 ZINC000739058753 572401133 /nfs/dbraw/zinc/40/11/33/572401133.db2.gz NBVKXQBILCBPGA-LLVKDONJSA-N -1 1 282.771 3.087 20 0 CGADMM COc1ccc2nc(-c3ccc4c(c3)CCC4)[n-]c(=O)c2c1 ZINC000519243521 572476673 /nfs/dbraw/zinc/47/66/73/572476673.db2.gz DEJWDCKZDRSXJM-UHFFFAOYSA-N -1 1 292.338 3.087 20 0 CGADMM O=S(=O)(/C=C\c1ccccc1Cl)[N-]c1ccccn1 ZINC000734975681 572693791 /nfs/dbraw/zinc/69/37/91/572693791.db2.gz WKJYUWRWRMKIBR-NTMALXAHSA-N -1 1 294.763 3.148 20 0 CGADMM O=C([N-]c1cc(C(F)(F)F)no1)c1scnc1Cl ZINC000748355881 572974999 /nfs/dbraw/zinc/97/49/99/572974999.db2.gz MDIYNQJFPPSRHE-UHFFFAOYSA-N -1 1 297.645 3.056 20 0 CGADMM CC(C)(C)c1ccc(OCC[N-]C(=O)C(F)(F)F)cc1 ZINC000750600941 573154956 /nfs/dbraw/zinc/15/49/56/573154956.db2.gz NSJCGZPMZUNAAQ-UHFFFAOYSA-N -1 1 289.297 3.041 20 0 CGADMM CCCc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821142093 607307869 /nfs/dbraw/zinc/30/78/69/607307869.db2.gz DBTAKVDXKHWEMT-UHFFFAOYSA-N -1 1 283.335 3.024 20 0 CGADMM CCCc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821142093 607307870 /nfs/dbraw/zinc/30/78/70/607307870.db2.gz DBTAKVDXKHWEMT-UHFFFAOYSA-N -1 1 283.335 3.024 20 0 CGADMM CCc1cccnc1[C@H](C)NCc1cccc(C(=O)[O-])c1 ZINC000820485720 597663662 /nfs/dbraw/zinc/66/36/62/597663662.db2.gz JCSKLRSQLALTSH-LBPRGKRZSA-N -1 1 284.359 3.193 20 0 CGADMM CC[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(F)cn1 ZINC000820285291 598213009 /nfs/dbraw/zinc/21/30/09/598213009.db2.gz YFJXJZTUTHJXRT-CQSZACIVSA-N -1 1 288.322 3.160 20 0 CGADMM O=C([O-])c1ccc(CNCc2ccccc2C(F)(F)F)o1 ZINC000071396301 600524794 /nfs/dbraw/zinc/52/47/94/600524794.db2.gz ZNSSVNIADBSAJP-UHFFFAOYSA-N -1 1 299.248 3.286 20 0 CGADMM C[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000211388212 600747300 /nfs/dbraw/zinc/74/73/00/600747300.db2.gz WKVSVSQURSGBLW-NHYWBVRUSA-N -1 1 273.307 3.302 20 0 CGADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC000828457021 601042678 /nfs/dbraw/zinc/04/26/78/601042678.db2.gz QBIQJWPVPOLCAE-XHDPSFHLSA-N -1 1 271.316 3.171 20 0 CGADMM C[C@H]1CN(Cc2ccoc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000828462016 601179391 /nfs/dbraw/zinc/17/93/91/601179391.db2.gz FYPOGRSMBXCYLT-FZMZJTMJSA-N -1 1 271.316 3.171 20 0 CGADMM CC[C@H](C)[C@H](N[C@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000828739924 604407223 /nfs/dbraw/zinc/40/72/23/604407223.db2.gz SZIQGPWOIFXKIZ-CWSCBRNRSA-N -1 1 292.404 3.446 20 0 CGADMM C[C@@H](c1ccco1)N(Cc1c[nH]c(C(=O)[O-])c1)C1CC1 ZINC000833549310 604608903 /nfs/dbraw/zinc/60/89/03/604608903.db2.gz KUUOVAGOJJGXLQ-JTQLQIEISA-N -1 1 274.320 3.032 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CN(CC(=O)[O-])C2CCCC2)o1 ZINC000086749091 604662478 /nfs/dbraw/zinc/66/24/78/604662478.db2.gz CJJCKRABWXIYOI-SMDDNHRTSA-N -1 1 277.364 3.232 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@H](C)c1ccncc1 ZINC000833679196 604720934 /nfs/dbraw/zinc/72/09/34/604720934.db2.gz WOXRQZLSMZNGLR-LLVKDONJSA-N -1 1 288.347 3.128 20 0 CGADMM C[C@@H](c1cccnc1)N(C)Cc1ccsc1C(=O)[O-] ZINC000833550123 604914032 /nfs/dbraw/zinc/91/40/32/604914032.db2.gz SGINNDVPPJSWCW-JTQLQIEISA-N -1 1 276.361 3.034 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CN2CCCCC[C@@H]2C(=O)[O-])o1 ZINC000086814481 605928590 /nfs/dbraw/zinc/92/85/90/605928590.db2.gz RJELWSDGZMMOOW-MRVWCRGKSA-N -1 1 277.364 3.232 20 0 CGADMM CCCC[C@H](Nc1cccc(-c2nnn[n-]2)n1)C1CCC1 ZINC000825268640 607901501 /nfs/dbraw/zinc/90/15/01/607901501.db2.gz XCUKNIPGZHUTSE-LBPRGKRZSA-N -1 1 286.383 3.033 20 0 CGADMM CCCC[C@H](Nc1cccc(-c2nn[n-]n2)n1)C1CCC1 ZINC000825268640 607901502 /nfs/dbraw/zinc/90/15/02/607901502.db2.gz XCUKNIPGZHUTSE-LBPRGKRZSA-N -1 1 286.383 3.033 20 0 CGADMM CC(F)(F)CCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909974912 622439633 /nfs/dbraw/zinc/43/96/33/622439633.db2.gz LWZOUOVAPXVGFB-UHFFFAOYSA-N -1 1 265.206 3.044 20 0 CGADMM CCc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1C ZINC000825717474 608759838 /nfs/dbraw/zinc/75/98/38/608759838.db2.gz MQAJAYLCMCVMNO-UHFFFAOYSA-N -1 1 299.403 3.411 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC1(C2CC2)CCC1 ZINC000899822893 620729611 /nfs/dbraw/zinc/72/96/11/620729611.db2.gz RJYSFUKZULOPCZ-UHFFFAOYSA-N -1 1 279.767 3.037 20 0 CGADMM COc1cc(/C=C/C(=O)c2ccc([O-])cc2)ccc1[N+](=O)[O-] ZINC000092198043 617625181 /nfs/dbraw/zinc/62/51/81/617625181.db2.gz AJGPRQBWKFYEJW-YCRREMRBSA-N -1 1 299.282 3.205 20 0 CGADMM Cc1oc(CN[C@@H](C)c2ccsc2)cc1C(=O)[O-] ZINC000235523983 618805915 /nfs/dbraw/zinc/80/59/15/618805915.db2.gz CPYCYWFXAKBPMK-QMMMGPOBSA-N -1 1 265.334 3.199 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](C(F)(F)F)C1 ZINC000311665309 618913955 /nfs/dbraw/zinc/91/39/55/618913955.db2.gz YGKPSGWORMRULH-ZETCQYMHSA-N -1 1 293.672 3.070 20 0 CGADMM CC/C(=C/C(=O)[N-]O[C@@H]1CCCCO1)c1ccc(C)cc1 ZINC000162755276 619144280 /nfs/dbraw/zinc/14/42/80/619144280.db2.gz ARWJTWOAKHSUCU-BHEFUSTPSA-N -1 1 289.375 3.363 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@H]1C ZINC000896837557 620074696 /nfs/dbraw/zinc/07/46/96/620074696.db2.gz FOOYYNOGNSFIMR-QWRGUYRKSA-N -1 1 285.343 3.122 20 0 CGADMM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896837559 620074782 /nfs/dbraw/zinc/07/47/82/620074782.db2.gz FOOYYNOGNSFIMR-WDEREUQCSA-N -1 1 285.343 3.122 20 0 CGADMM O=C([O-])C1CCC(Nc2ccnc3cc(F)ccc32)CC1 ZINC000263548842 620325976 /nfs/dbraw/zinc/32/59/76/620325976.db2.gz JDKPDYDDKWRBON-UHFFFAOYSA-N -1 1 288.322 3.429 20 0 CGADMM CN(C[C@H]1CC1(C)C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000899020377 620616390 /nfs/dbraw/zinc/61/63/90/620616390.db2.gz VQMCITXWSCMENQ-GFCCVEGCSA-N -1 1 299.370 3.369 20 0 CGADMM CCN(CC(=O)[O-])Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000901426562 620883609 /nfs/dbraw/zinc/88/36/09/620883609.db2.gz LILFNCIBWIFJGZ-UHFFFAOYSA-N -1 1 291.322 3.301 20 0 CGADMM Cc1cc(CNCc2ccc(C)c(C)c2)oc1C(=O)[O-] ZINC000901942040 621071862 /nfs/dbraw/zinc/07/18/62/621071862.db2.gz NRSPWBJMJWBQSP-UHFFFAOYSA-N -1 1 273.332 3.193 20 0 CGADMM CC(C)c1cnc(CN2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000901996179 621089629 /nfs/dbraw/zinc/08/96/29/621089629.db2.gz GJLNRLZUTDNDBJ-GFCCVEGCSA-N -1 1 296.436 3.486 20 0 CGADMM CC(C)Oc1ccc(CNCc2ccoc2C(=O)[O-])cc1 ZINC000902095471 621146288 /nfs/dbraw/zinc/14/62/88/621146288.db2.gz ASEATIBZUKGGHB-UHFFFAOYSA-N -1 1 289.331 3.055 20 0 CGADMM CCOc1cccc([C@@H](C)NCc2cc(C(=O)[O-])co2)c1 ZINC000902163944 621173186 /nfs/dbraw/zinc/17/31/86/621173186.db2.gz GUAZMONTMDSVHG-LLVKDONJSA-N -1 1 289.331 3.227 20 0 CGADMM Cc1oc(CNC2(c3ccccc3C)CC2)cc1C(=O)[O-] ZINC000902272286 621235927 /nfs/dbraw/zinc/23/59/27/621235927.db2.gz UFNBYQUZWLAYJR-UHFFFAOYSA-N -1 1 285.343 3.374 20 0 CGADMM O=C([O-])c1coc(CN[C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000902371357 621277378 /nfs/dbraw/zinc/27/73/78/621277378.db2.gz XNKFVKACRCRLAS-CQSZACIVSA-N -1 1 291.734 3.408 20 0 CGADMM C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCC(C)(C)C(=O)[O-] ZINC000902509945 621349413 /nfs/dbraw/zinc/34/94/13/621349413.db2.gz MFZYQBXQFNXTHA-SNVBAGLBSA-N -1 1 285.334 3.459 20 0 CGADMM O=C([O-])C1(CCN2CCc3sc(Cl)cc3C2)CCC1 ZINC000903703047 621793391 /nfs/dbraw/zinc/79/33/91/621793391.db2.gz PJDMBUVMTCELQS-UHFFFAOYSA-N -1 1 299.823 3.405 20 0 CGADMM CC(C)C[C@H](CNCc1nc(C(C)(C)C)co1)CC(=O)[O-] ZINC000903991395 621848306 /nfs/dbraw/zinc/84/83/06/621848306.db2.gz MZUKGBDETCMUEJ-LBPRGKRZSA-N -1 1 296.411 3.199 20 0 CGADMM CC(C)(C)C[C@@H](CC(=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC000904010838 621854424 /nfs/dbraw/zinc/85/44/24/621854424.db2.gz PYXHQNXDBCEKQW-LLVKDONJSA-N -1 1 296.411 3.341 20 0 CGADMM Cc1cc(N2CCCCCC2)ccc1N[C@H](C)C(=O)[O-] ZINC000904239447 621893648 /nfs/dbraw/zinc/89/36/48/621893648.db2.gz LBZOBNSJURARLO-CYBMUJFWSA-N -1 1 276.380 3.260 20 0 CGADMM O=C([O-])c1ccc(CN[C@@H](c2cccs2)C2CC2)nc1 ZINC000905718084 622098301 /nfs/dbraw/zinc/09/83/01/622098301.db2.gz DOSFNUNTCPGXFP-CQSZACIVSA-N -1 1 288.372 3.082 20 0 CGADMM CCCCC1([N-]S(=O)(=O)c2ccc(C(F)F)o2)CC1 ZINC000907938151 622318865 /nfs/dbraw/zinc/31/88/65/622318865.db2.gz CREMNSSIWMMOSE-UHFFFAOYSA-N -1 1 293.335 3.218 20 0 CGADMM CC/C(C)=C(\C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985584 622441650 /nfs/dbraw/zinc/44/16/50/622441650.db2.gz MJAAOIUKKSGYSZ-BQYQJAHWSA-N -1 1 255.264 3.355 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C1(C(F)(F)F)CCC1 ZINC000909987332 622443287 /nfs/dbraw/zinc/44/32/87/622443287.db2.gz QBUQEMWSNLUKMU-UHFFFAOYSA-N -1 1 295.207 3.342 20 0 CGADMM CC[C@H](CC(F)F)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987842 622444178 /nfs/dbraw/zinc/44/41/78/622444178.db2.gz LBDYINCQACPULX-ZCFIWIBFSA-N -1 1 279.233 3.290 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000909988075 622444272 /nfs/dbraw/zinc/44/42/72/622444272.db2.gz UEXUPXXRCPIJBB-YIZRAAEISA-N -1 1 267.275 3.045 20 0 CGADMM C[C@H]1CCCC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988053 622444382 /nfs/dbraw/zinc/44/43/82/622444382.db2.gz SLWKTQWRXSRDEK-DTWKUNHWSA-N -1 1 269.291 3.435 20 0 CGADMM CC(C(=O)Nc1cc([O-])c(F)cc1F)=C1CCCC1 ZINC000909982306 622445406 /nfs/dbraw/zinc/44/54/06/622445406.db2.gz FVHWNQAZVJYBTC-UHFFFAOYSA-N -1 1 267.275 3.499 20 0 CGADMM Cc1c(C(=O)Nc2cc(F)cc(F)c2[O-])cnn1C(C)C ZINC000910984499 622513260 /nfs/dbraw/zinc/51/32/60/622513260.db2.gz VWDZUHKZZDIASY-UHFFFAOYSA-N -1 1 295.289 3.009 20 0 CGADMM Cc1cccc(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000188371899 622866322 /nfs/dbraw/zinc/86/63/22/622866322.db2.gz QROBBZIRRDIJOI-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1ccccn1 ZINC000916106454 624110685 /nfs/dbraw/zinc/11/06/85/624110685.db2.gz IWBZBBZGVRNCPS-NTMALXAHSA-N -1 1 294.763 3.148 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H]2CCC3(CCC3)CO2)n1 ZINC000917513103 624278071 /nfs/dbraw/zinc/27/80/71/624278071.db2.gz MQXJJRMKSCANKO-GFCCVEGCSA-N -1 1 294.420 3.186 20 0 CGADMM Cc1nc(SCCc2ccns2)[n-]c(=O)c1C1CC1 ZINC000918463478 624348068 /nfs/dbraw/zinc/34/80/68/624348068.db2.gz OXYJRYBGGCVDAC-UHFFFAOYSA-N -1 1 293.417 3.159 20 0 CGADMM C[C@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CC1 ZINC000920447283 624496161 /nfs/dbraw/zinc/49/61/61/624496161.db2.gz DLNVNOLXYISCKJ-SNVBAGLBSA-N -1 1 285.347 3.157 20 0 CGADMM CCN(Cc1ccncc1)C(=O)c1c([O-])cccc1Cl ZINC000920433099 624502540 /nfs/dbraw/zinc/50/25/40/624502540.db2.gz NQRIMHOWEABLLE-UHFFFAOYSA-N -1 1 290.750 3.103 20 0 CGADMM CN(C(=O)c1c([O-])cccc1Cl)C1CC(C)(C)C1 ZINC000838146381 626197264 /nfs/dbraw/zinc/19/72/64/626197264.db2.gz NEOAEZWGLCUGQJ-UHFFFAOYSA-N -1 1 267.756 3.306 20 0 CGADMM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccsc2)c(C)o1 ZINC000756280692 626689160 /nfs/dbraw/zinc/68/91/60/626689160.db2.gz CMXKYKABZOYRQU-ZDUSSCGKSA-N -1 1 279.361 3.264 20 0 CGADMM CC(C)(C)[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000756341363 626693214 /nfs/dbraw/zinc/69/32/14/626693214.db2.gz WYEJOZUGRQMINH-CYBMUJFWSA-N -1 1 261.321 3.022 20 0 CGADMM Cc1nc(COC(=O)c2c([O-])cc(F)cc2F)sc1C ZINC000756388047 626699918 /nfs/dbraw/zinc/69/99/18/626699918.db2.gz CAMVZENVKGRLDH-UHFFFAOYSA-N -1 1 299.298 3.101 20 0 CGADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])Cc2ccccc21 ZINC000769616924 627569985 /nfs/dbraw/zinc/56/99/85/627569985.db2.gz ZOVBBYWBOZGKCU-NSHDSACASA-N -1 1 285.318 3.291 20 0 CGADMM CC1(NC(=O)c2c([O-])cccc2Cl)CCCCC1 ZINC000769715734 627574144 /nfs/dbraw/zinc/57/41/44/627574144.db2.gz CRDXKNOHCIMLFU-UHFFFAOYSA-N -1 1 267.756 3.498 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1c([O-])cccc1Cl ZINC000769762283 627576594 /nfs/dbraw/zinc/57/65/94/627576594.db2.gz ATTGIQSQQGZHKM-AOOOYVTPSA-N -1 1 267.756 3.449 20 0 CGADMM Cc1cnc([C@H](C)O[N-]C(=O)CCCc2ccccc2)o1 ZINC000770694709 627638224 /nfs/dbraw/zinc/63/82/24/627638224.db2.gz RNISQYUIGOKARF-ZDUSSCGKSA-N -1 1 288.347 3.115 20 0 CGADMM Cc1ccncc1[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000771385292 627705448 /nfs/dbraw/zinc/70/54/48/627705448.db2.gz VCDQOUNBJCLOEK-SNVBAGLBSA-N -1 1 290.750 3.240 20 0 CGADMM Cc1nc(SCc2ccc(Cl)nc2)[n-]c(=O)c1C ZINC000776869959 628237973 /nfs/dbraw/zinc/23/79/73/628237973.db2.gz NIDQCYPLYBATOU-UHFFFAOYSA-N -1 1 281.768 3.140 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@H](F)Cc1ccccc1 ZINC000778402602 628349397 /nfs/dbraw/zinc/34/93/97/628349397.db2.gz CPBAARHXKIFLAD-GFCCVEGCSA-N -1 1 277.270 3.051 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2ccc(C3CCC3)cc2)S1 ZINC000874927428 634652446 /nfs/dbraw/zinc/65/24/46/634652446.db2.gz CJQDXXGCDLEJFN-WQLSENKSSA-N -1 1 259.330 3.278 20 0 CGADMM CC(C)(C)c1ccc(C=C2SC(=O)[N-]C2=O)s1 ZINC000874927869 634653076 /nfs/dbraw/zinc/65/30/76/634653076.db2.gz IDWRDKOZALSGKZ-SOFGYWHQSA-N -1 1 267.375 3.370 20 0 CGADMM CCCc1ccc(C=C2SC(=O)[N-]C2=O)s1 ZINC000874929751 634655300 /nfs/dbraw/zinc/65/53/00/634655300.db2.gz ONWITNYGLHJFQD-RMKNXTFCSA-N -1 1 253.348 3.025 20 0 CGADMM CC[C@@H](C)[C@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000780244838 628469040 /nfs/dbraw/zinc/46/90/40/628469040.db2.gz XAHAHNIGWZHSMH-NEPJUHHUSA-N -1 1 292.375 3.363 20 0 CGADMM CCC/C(C)=C/C(=O)Nc1nc(Br)ccc1[O-] ZINC000783911971 628757133 /nfs/dbraw/zinc/75/71/33/628757133.db2.gz UXHPIZODZVNKFW-BQYQJAHWSA-N -1 1 299.168 3.235 20 0 CGADMM O=C(OC[C@H]1CCC2(CCCC2)O1)c1ccc([O-])cc1F ZINC000784514835 628818611 /nfs/dbraw/zinc/81/86/11/628818611.db2.gz AGQQCPOHFOSJLH-GFCCVEGCSA-N -1 1 294.322 3.180 20 0 CGADMM O=C(Cc1cccc(Cl)c1)Nc1nc(Cl)ccc1[O-] ZINC000789930442 629174539 /nfs/dbraw/zinc/17/45/39/629174539.db2.gz MKSQTSJQKSRETE-UHFFFAOYSA-N -1 1 297.141 3.275 20 0 CGADMM Cc1nc(Cl)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000790251312 629197461 /nfs/dbraw/zinc/19/74/61/629197461.db2.gz SJJXHRCJEFDQMQ-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCCC2(CC2)CC1 ZINC000863641600 629630583 /nfs/dbraw/zinc/63/05/83/629630583.db2.gz AOMXSDDMNVUMEJ-UHFFFAOYSA-N -1 1 279.767 3.452 20 0 CGADMM COc1ccc2nc(-c3coc(C4CCC4)n3)[n-]c(=O)c2c1 ZINC000864357475 629818486 /nfs/dbraw/zinc/81/84/86/629818486.db2.gz ZCKIPWYAILEAGV-UHFFFAOYSA-N -1 1 297.314 3.267 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCCCCCC1 ZINC000864665153 629885860 /nfs/dbraw/zinc/88/58/60/629885860.db2.gz DLKLJHZBJILILL-UHFFFAOYSA-N -1 1 281.783 3.381 20 0 CGADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@]12C[C@@H]1CCCC2 ZINC000864858375 629932388 /nfs/dbraw/zinc/93/23/88/629932388.db2.gz INJFAQCLMLYTQE-SJCJKPOMSA-N -1 1 297.358 3.301 20 0 CGADMM Cc1nc(SCc2cccc(F)n2)[n-]c(=O)c1C1CC1 ZINC000865372988 630081685 /nfs/dbraw/zinc/08/16/85/630081685.db2.gz AYKIMBPCTCOAIG-UHFFFAOYSA-N -1 1 291.351 3.194 20 0 CGADMM Cc1nc(SC/C=C/Cl)[n-]c(=O)c1C1CC1 ZINC000865373346 630082099 /nfs/dbraw/zinc/08/20/99/630082099.db2.gz PYRIGHDIQKAMSC-GORDUTHDSA-N -1 1 256.758 3.213 20 0 CGADMM CCCC[C@@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000800548665 630291932 /nfs/dbraw/zinc/29/19/32/630291932.db2.gz YDERLYKBWWTBKL-MRVPVSSYSA-N -1 1 256.733 3.205 20 0 CGADMM O=C([N-][C@@H]1CCCC1(F)F)C(F)(F)c1ccccc1F ZINC000807853435 630600730 /nfs/dbraw/zinc/60/07/30/630600730.db2.gz IEZXNLHVEGXMMH-SNVBAGLBSA-N -1 1 293.235 3.222 20 0 CGADMM C[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394881 634826680 /nfs/dbraw/zinc/82/66/80/634826680.db2.gz PTJMSSJSBLNXIU-JTQLQIEISA-N -1 1 282.771 3.130 20 0 CGADMM CC(C)C[C@@H](C(=O)[N-]OCC1CC1)c1ccccc1 ZINC000817329713 632123894 /nfs/dbraw/zinc/12/38/94/632123894.db2.gz CZFLURUBCLJLMM-OAHLLOKOSA-N -1 1 261.365 3.274 20 0 CGADMM CCCC[C@@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000818033437 632280541 /nfs/dbraw/zinc/28/05/41/632280541.db2.gz KLIJJCXXQZOCEC-MRVPVSSYSA-N -1 1 257.280 3.435 20 0 CGADMM CO[N-]C(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000820844419 632686931 /nfs/dbraw/zinc/68/69/31/632686931.db2.gz GKDAJJORFOGMOD-LBPRGKRZSA-N -1 1 255.745 3.147 20 0 CGADMM COC1(C(=O)Nc2ccc([O-])c(F)c2F)CCCCCC1 ZINC000821970931 632850737 /nfs/dbraw/zinc/85/07/37/632850737.db2.gz UPXWGEDUDVKUMZ-UHFFFAOYSA-N -1 1 299.317 3.348 20 0 CGADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000827447840 633491592 /nfs/dbraw/zinc/49/15/92/633491592.db2.gz MFCFAVDWQVNSQE-GWOFURMSSA-N -1 1 263.312 3.152 20 0 CGADMM CC1(CCC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000827598002 633501801 /nfs/dbraw/zinc/50/18/01/633501801.db2.gz IRPUDJRMDYOOTA-UHFFFAOYSA-N -1 1 285.347 3.097 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)OCC1CC=CC1 ZINC000869734142 633502098 /nfs/dbraw/zinc/50/20/98/633502098.db2.gz CONVJFQGPGQBBS-UHFFFAOYSA-N -1 1 266.724 3.098 20 0 CGADMM CC1(C(=O)NCc2ccc([O-])c(Cl)c2)CC=CC1 ZINC000828850038 633660667 /nfs/dbraw/zinc/66/06/67/633660667.db2.gz GSFLJFLOUCJQIB-UHFFFAOYSA-N -1 1 265.740 3.018 20 0 CGADMM CCc1[n-]n(-c2cc(Cl)ccc2Cl)c(=O)c1F ZINC000871947698 633922684 /nfs/dbraw/zinc/92/26/84/633922684.db2.gz BSSVRQFWXKQXIY-SNVBAGLBSA-N -1 1 275.110 3.444 20 0 CGADMM CC1(C)CCc2c([n-]n(Cc3ccc(F)cc3F)c2=O)C1 ZINC000871949900 633924446 /nfs/dbraw/zinc/92/44/46/633924446.db2.gz PVQHEFHKSVTJMF-GFCCVEGCSA-N -1 1 292.329 3.489 20 0 CGADMM CCc1c(=O)n(-c2ccnc(Cl)c2)[n-]c1C(C)C ZINC000871953255 633925186 /nfs/dbraw/zinc/92/51/86/633925186.db2.gz HOHWGZQSZAOOTI-SNVBAGLBSA-N -1 1 265.744 3.120 20 0 CGADMM Cc1[n-]n(-c2cc(Cl)ccc2F)c(=O)c1C1CC1 ZINC000871962585 633929194 /nfs/dbraw/zinc/92/91/94/633929194.db2.gz FRSSQKHEORUAAB-GFCCVEGCSA-N -1 1 266.703 3.228 20 0 CGADMM CCCc1c(C)[n-]n(C[C@@H]2CCCC2(F)F)c1=O ZINC000871962558 633929745 /nfs/dbraw/zinc/92/97/45/633929745.db2.gz DQWSHVDSJHQDDK-QWRGUYRKSA-N -1 1 258.312 3.056 20 0 CGADMM O=c1c2c([n-]n1[C@@H]1CCOC3(CCCC3)C1)CCCCC2 ZINC000871964789 633931905 /nfs/dbraw/zinc/93/19/05/633931905.db2.gz ZRXWRQXYDBZJCZ-KGLIPLIRSA-N -1 1 290.407 3.257 20 0 CGADMM O=C(CC[C@H]1CC1(Cl)Cl)Nc1ccc(F)cc1[O-] ZINC000831250092 633932505 /nfs/dbraw/zinc/93/25/05/633932505.db2.gz PKKOLDDHXJCUBL-ZETCQYMHSA-N -1 1 292.137 3.444 20 0 CGADMM CC(C)N(Cc1ccco1)Cc1cc(C(=O)[O-])cs1 ZINC000872157686 634067634 /nfs/dbraw/zinc/06/76/34/634067634.db2.gz QPIKNRDKFACFOU-UHFFFAOYSA-N -1 1 279.361 3.450 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)NCC1(C2CC2)CC1 ZINC000872949523 634224718 /nfs/dbraw/zinc/22/47/18/634224718.db2.gz MTLQEGMRALENRC-UHFFFAOYSA-N -1 1 294.782 3.035 20 0 CGADMM O=C(CC[C@@H]1CCCCO1)NCc1ccc([O-])c(Cl)c1 ZINC000834829151 634250386 /nfs/dbraw/zinc/25/03/86/634250386.db2.gz MGQIZGWVUXLVGQ-LBPRGKRZSA-N -1 1 297.782 3.011 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CC=CCC1 ZINC000834833553 634251716 /nfs/dbraw/zinc/25/17/16/634251716.db2.gz CLBRBJBBEZWEOP-LLVKDONJSA-N -1 1 265.740 3.018 20 0 CGADMM CC(C)(C)SCC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833799 634252605 /nfs/dbraw/zinc/25/26/05/634252605.db2.gz MBUUDVKLBOAABE-UHFFFAOYSA-N -1 1 287.812 3.194 20 0 CGADMM CC(C)CCO[C@@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834834117 634252985 /nfs/dbraw/zinc/25/29/85/634252985.db2.gz XGZFKQXWDHQKMX-NSHDSACASA-N -1 1 299.798 3.113 20 0 CGADMM C[C@@H](CC(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000834833969 634253149 /nfs/dbraw/zinc/25/31/49/634253149.db2.gz RLYJQCIDLZTQIU-VIFPVBQESA-N -1 1 267.756 3.098 20 0 CGADMM CC(C)(CC(=O)COC(=O)c1ccc([O-])cc1F)C1CC1 ZINC000837611638 634948906 /nfs/dbraw/zinc/94/89/06/634948906.db2.gz KDFSLGCAIGYFSI-UHFFFAOYSA-N -1 1 294.322 3.084 20 0 CGADMM Cc1cccc2c1C(=O)N[C@H](c1cccc([O-])c1Cl)N2 ZINC000877848636 635240584 /nfs/dbraw/zinc/24/05/84/635240584.db2.gz VMVFVKHCQPIJRI-CQSZACIVSA-N -1 1 288.734 3.208 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cnc(CC2CC2)s1 ZINC000878866316 635645860 /nfs/dbraw/zinc/64/58/60/635645860.db2.gz JROXIFIPRQWJOO-UHFFFAOYSA-N -1 1 292.335 3.193 20 0 CGADMM Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)Cc2ccc3cc[nH]c3c2)n1 ZINC000879724908 635842823 /nfs/dbraw/zinc/84/28/23/635842823.db2.gz QSXDCKRIRLGCQG-GFCCVEGCSA-N -1 1 296.374 3.165 20 0 CGADMM CC1(C)CC[C@@H](CC(=O)Nc2cccc(F)c2[O-])OC1 ZINC000880853468 636053981 /nfs/dbraw/zinc/05/39/81/636053981.db2.gz FUVDSAKERJTMOU-JTQLQIEISA-N -1 1 281.327 3.065 20 0 CGADMM O=C(CC1=CCCCC1)NCCc1c(F)cc([O-])cc1F ZINC000886264926 637471734 /nfs/dbraw/zinc/47/17/34/637471734.db2.gz QGESHDVCZGWPHS-UHFFFAOYSA-N -1 1 295.329 3.220 20 0 CGADMM CCc1oc2ccccc2c1C=C1SC(=O)[N-]C1=O ZINC000008200268 637601894 /nfs/dbraw/zinc/60/18/94/637601894.db2.gz YJTUMEFFFPRDFM-GHXNOFRVSA-N -1 1 273.313 3.319 20 0 CGADMM CCCc1[n-]n(-c2ccnc3cccnc32)c(=O)c1CC ZINC000887294815 637792096 /nfs/dbraw/zinc/79/20/96/637792096.db2.gz NABBGSMEIOYIIX-NSHDSACASA-N -1 1 282.347 3.159 20 0 CGADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)[N-]Oc1ccccc1 ZINC000854535524 638067409 /nfs/dbraw/zinc/06/74/09/638067409.db2.gz ALYWSMWFURICSN-TZMCWYRMSA-N -1 1 281.302 3.312 20 0 CGADMM O=c1nc(NCCCC2CCCC2)cc(Cl)[n-]1 ZINC000858340811 638686127 /nfs/dbraw/zinc/68/61/27/638686127.db2.gz OLDLBRDSJKMBND-UHFFFAOYSA-N -1 1 255.749 3.218 20 0 CGADMM C[C@@H]1CCC[C@H](CNc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858361313 638692540 /nfs/dbraw/zinc/69/25/40/638692540.db2.gz MZLXZYJJRNLAPT-BDAKNGLRSA-N -1 1 255.749 3.074 20 0 CGADMM C[C@H]1CC(C)(C)CC[C@H]1Nc1cc(Cl)[n-]c(=O)n1 ZINC000858435673 638717356 /nfs/dbraw/zinc/71/73/56/638717356.db2.gz OKHNKUVOWDJVPH-DTWKUNHWSA-N -1 1 269.776 3.462 20 0 CGADMM CCC1(CC)[C@H](Nc2cc(Cl)[n-]c(=O)n2)[C@H](C)[C@@H]1OC ZINC000858465335 638725968 /nfs/dbraw/zinc/72/59/68/638725968.db2.gz DNJQMOLLTNDLPV-AXTRIDKLSA-N -1 1 299.802 3.087 20 0 CGADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1cc(Cl)[n-]c(=O)n1 ZINC000858477774 638733955 /nfs/dbraw/zinc/73/39/55/638733955.db2.gz XUJKKOVVQKJUQH-RNFRBKRXSA-N -1 1 295.692 3.003 20 0 CGADMM C[C@@]1(CCNc2cc(Cl)[n-]c(=O)n2)CC1(Cl)Cl ZINC000858563006 638762582 /nfs/dbraw/zinc/76/25/82/638762582.db2.gz OUZWIUIJYBQBMJ-SECBINFHSA-N -1 1 296.585 3.222 20 0 CGADMM CC(C)(C)C[C@@H]1CCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858565229 638762679 /nfs/dbraw/zinc/76/26/79/638762679.db2.gz JVIBPDMDQBLKKH-VIFPVBQESA-N -1 1 269.776 3.098 20 0 CGADMM O=Cc1ccc(-c2ccc([O-])c(C(=O)N3CCCCC3)c2)o1 ZINC000929098726 638898487 /nfs/dbraw/zinc/89/84/87/638898487.db2.gz FPCSWXXZOAMCFX-UHFFFAOYSA-N -1 1 299.326 3.091 20 0 CGADMM C/C=C\C[C@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858863100 639032676 /nfs/dbraw/zinc/03/26/76/639032676.db2.gz CBFGEWAMBFZUBW-ZMWSMAPVSA-N -1 1 267.760 3.018 20 0 CGADMM Cc1nc(Cl)ccc1NC(=O)c1ccccc1[O-] ZINC000192480523 640373128 /nfs/dbraw/zinc/37/31/28/640373128.db2.gz VHCIRZHNXROVSX-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM CCc1noc([C@@H](C)O[N-]C(=O)CCC2CCCCC2)n1 ZINC000083536835 640597230 /nfs/dbraw/zinc/59/72/30/640597230.db2.gz HCTIGQPTLAKFHM-LLVKDONJSA-N -1 1 295.383 3.101 20 0 CGADMM COC1CCC(CC(=O)Nc2c([O-])cccc2F)CC1 ZINC000089493401 640649052 /nfs/dbraw/zinc/64/90/52/640649052.db2.gz XQKGVSMTIILWIX-UHFFFAOYSA-N -1 1 281.327 3.065 20 0 CGADMM COc1ccc2[nH]c(-c3c(F)cc([O-])cc3F)nc2c1 ZINC001251007075 805825584 /nfs/dbraw/zinc/82/55/84/805825584.db2.gz CJAJZEHUGYUCHO-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM COc1cc2[nH]c(-c3c([O-])ccc(F)c3F)nc2cc1F ZINC001251319216 805882137 /nfs/dbraw/zinc/88/21/37/805882137.db2.gz UBRQOUPBILHESS-UHFFFAOYSA-N -1 1 294.232 3.361 20 0 CGADMM Fc1cc(F)c(F)c2nc(-c3ncc(Cl)cn3)[n-]c21 ZINC001251414628 805892138 /nfs/dbraw/zinc/89/21/38/805892138.db2.gz JAXBOWASNNYPES-UHFFFAOYSA-N -1 1 284.628 3.091 20 0 CGADMM Fc1cc(F)c(F)c2[n-]c(-c3ncc(Cl)cn3)nc21 ZINC001251414628 805892141 /nfs/dbraw/zinc/89/21/41/805892141.db2.gz JAXBOWASNNYPES-UHFFFAOYSA-N -1 1 284.628 3.091 20 0 CGADMM COc1ccc(-c2nnc(-c3ccc(F)cc3)o2)c([O-])c1 ZINC001252164042 806027161 /nfs/dbraw/zinc/02/71/61/806027161.db2.gz XHEYOPFVZISPLD-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM [O-]c1cnccc1-c1nnc(-c2cccc(Cl)c2)o1 ZINC001253780781 806309814 /nfs/dbraw/zinc/30/98/14/806309814.db2.gz GPCPLLYIIKRQKV-UHFFFAOYSA-N -1 1 273.679 3.158 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1scnc1Cl ZINC001160916603 806322182 /nfs/dbraw/zinc/32/21/82/806322182.db2.gz LKUSZNUVWVHWKE-UHFFFAOYSA-N -1 1 290.678 3.033 20 0 CGADMM CCC[C@H](CC)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001161179337 806355959 /nfs/dbraw/zinc/35/59/59/806355959.db2.gz KTTRLDNSISXQSF-QMMMGPOBSA-N -1 1 256.733 3.205 20 0 CGADMM C[C@H]1CC=C(C(=O)Nc2nc(Cl)ccc2[O-])CC1 ZINC001161178853 806357256 /nfs/dbraw/zinc/35/72/56/806357256.db2.gz AYRQZEYIPHNNAU-QMMMGPOBSA-N -1 1 266.728 3.126 20 0 CGADMM O=C(/C=C/c1ccccc1F)Nc1cc(F)cc(F)c1[O-] ZINC001162295201 806550661 /nfs/dbraw/zinc/55/06/61/806550661.db2.gz CSCCRAIUZMJMGP-AATRIKPKSA-N -1 1 293.244 3.461 20 0 CGADMM [O-]c1c2ccsc2ccc1-c1nnc([C@@H]2CCOC2)o1 ZINC001255531724 806666083 /nfs/dbraw/zinc/66/60/83/806666083.db2.gz WKTQFTPYIDQTSW-MRVPVSSYSA-N -1 1 288.328 3.161 20 0 CGADMM CC[C@](NCc1cccs1)(C(=O)[O-])c1ccccc1 ZINC000037966474 798880927 /nfs/dbraw/zinc/88/09/27/798880927.db2.gz IZLWKNMVTILFPD-OAHLLOKOSA-N -1 1 275.373 3.228 20 0 CGADMM CC1(NC(=O)c2cc(Cl)ccc2[O-])CCCC1 ZINC000112703349 798984897 /nfs/dbraw/zinc/98/48/97/798984897.db2.gz UEDAKAKYWWKPRL-UHFFFAOYSA-N -1 1 253.729 3.108 20 0 CGADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC000162548452 799081553 /nfs/dbraw/zinc/08/15/53/799081553.db2.gz OGDOLZUJEVPQAK-MNOVXSKESA-N -1 1 265.328 3.087 20 0 CGADMM COc1c(F)ccc(F)c1-c1cccc(F)c1[O-] ZINC000707036180 799971187 /nfs/dbraw/zinc/97/11/87/799971187.db2.gz VEWYTWAFDUTVOR-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CN(Cc1cccs1)Cc1cc(C(=O)[O-])cs1 ZINC000711464684 800060833 /nfs/dbraw/zinc/06/08/33/800060833.db2.gz IECKWXIBPXOHOK-UHFFFAOYSA-N -1 1 267.375 3.140 20 0 CGADMM C[C@@H]1C[C@H]1c1nnc(-c2ccc([O-])cc2Cl)o1 ZINC001256625788 806930063 /nfs/dbraw/zinc/93/00/63/806930063.db2.gz NOKFEYIXHFVSKL-HZGVNTEJSA-N -1 1 250.685 3.219 20 0 CGADMM C[C@H]1C[C@H]1c1nnc(-c2cnc(-c3ccccc3)[n-]c2=O)o1 ZINC001256707877 806951037 /nfs/dbraw/zinc/95/10/37/806951037.db2.gz CJBJGOCTZQFTEN-GXSJLCMTSA-N -1 1 294.314 3.023 20 0 CGADMM C[C@H]1C[C@H]1c1nnc(-c2ccc(Br)c([O-])c2)o1 ZINC001256745671 806968790 /nfs/dbraw/zinc/96/87/90/806968790.db2.gz AINUWEOSRFMVPJ-POYBYMJQSA-N -1 1 295.136 3.328 20 0 CGADMM Cc1cnc(NC(=O)c2ccc(C(C)C)cc2[O-])o1 ZINC001119972880 802717996 /nfs/dbraw/zinc/71/79/96/802717996.db2.gz RNGJOQTXBRBKPZ-UHFFFAOYSA-N -1 1 260.293 3.064 20 0 CGADMM COC(=O)c1ccnc(-c2c([O-])cccc2Cl)c1C ZINC001244030532 803150989 /nfs/dbraw/zinc/15/09/89/803150989.db2.gz APFIJSAYGCYRSH-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3cncnc3c2)cc1F ZINC001244097459 803184909 /nfs/dbraw/zinc/18/49/09/803184909.db2.gz VOOJWGGLVZJMSR-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Cn1ccc2c1nccc2-c1cc(F)c([O-])c(F)c1 ZINC001244097023 803185075 /nfs/dbraw/zinc/18/50/75/803185075.db2.gz RQASASAINLVKHR-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM O=C1Nc2ccc(-c3cc(F)c([O-])c(F)c3)cc2C12CC2 ZINC001244097617 803185179 /nfs/dbraw/zinc/18/51/79/803185179.db2.gz RMAMURISFLZUFX-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM Cc1nc2c(ncc(-c3cc(F)c([O-])c(F)c3)c2C)[nH]1 ZINC001244098781 803186440 /nfs/dbraw/zinc/18/64/40/803186440.db2.gz RETUCKKKFVBIPJ-UHFFFAOYSA-N -1 1 275.258 3.226 20 0 CGADMM O=C([N-]c1c(F)ccnc1F)c1cc2cc(F)ccc2o1 ZINC001129367660 803230496 /nfs/dbraw/zinc/23/04/96/803230496.db2.gz WCTLNANSYAFBEV-UHFFFAOYSA-N -1 1 292.216 3.497 20 0 CGADMM Cc1ccc([O-])c(-c2nc3[nH]cnc3c(C(F)(F)F)n2)c1 ZINC001244403552 803352371 /nfs/dbraw/zinc/35/23/71/803352371.db2.gz WQTAYBBXYCHGIQ-UHFFFAOYSA-N -1 1 294.236 3.004 20 0 CGADMM CCOc1ccc(C(=O)[O-])cc1-c1cccc2cncn21 ZINC001244422151 803362776 /nfs/dbraw/zinc/36/27/76/803362776.db2.gz VFAFVMKCSGKTJH-UHFFFAOYSA-N -1 1 282.299 3.098 20 0 CGADMM Cc1cncnc1-c1ccc(OC(F)(F)F)cc1[O-] ZINC001244464556 803381241 /nfs/dbraw/zinc/38/12/41/803381241.db2.gz RUNLTODFTWVDEE-UHFFFAOYSA-N -1 1 270.210 3.056 20 0 CGADMM Cc1cc(-c2cc(N(C)C)nc(C)n2)cc(Cl)c1[O-] ZINC001244530312 803421935 /nfs/dbraw/zinc/42/19/35/803421935.db2.gz KPWBOXSASLHXML-UHFFFAOYSA-N -1 1 277.755 3.185 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cnc3[nH]ccc3n2)c1F ZINC001244537309 803423870 /nfs/dbraw/zinc/42/38/70/803423870.db2.gz BTHWVRYWERRFGM-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM Cc1cc2ncnc(-c3c(Cl)ccc([O-])c3F)c2[nH]1 ZINC001244537551 803425806 /nfs/dbraw/zinc/42/58/06/803425806.db2.gz AORJIYPPVATDKJ-UHFFFAOYSA-N -1 1 277.686 3.431 20 0 CGADMM COCOc1ccc(-c2c(Cl)ccc([O-])c2F)nc1 ZINC001244537811 803425937 /nfs/dbraw/zinc/42/59/37/803425937.db2.gz FTYMAZQSYOPHLQ-UHFFFAOYSA-N -1 1 283.686 3.229 20 0 CGADMM Cc1cnc2ncc(-c3c(Cl)ccc([O-])c3F)cc2n1 ZINC001244539931 803428278 /nfs/dbraw/zinc/42/82/78/803428278.db2.gz NXILYZBJTZVSRP-UHFFFAOYSA-N -1 1 289.697 3.498 20 0 CGADMM O=C1COc2cc(-c3c(Cl)ccc([O-])c3F)ccc2N1 ZINC001244542233 803429682 /nfs/dbraw/zinc/42/96/82/803429682.db2.gz JVLKKMKNLMQLEB-UHFFFAOYSA-N -1 1 293.681 3.183 20 0 CGADMM CCOC(=O)c1ccncc1-c1c(Cl)ccc([O-])c1F ZINC001244543750 803430451 /nfs/dbraw/zinc/43/04/51/803430451.db2.gz VESVOAPBHYWXBH-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM Cc1cc(-c2nccn3ccnc23)cc(Cl)c1[O-] ZINC001244547990 803433088 /nfs/dbraw/zinc/43/30/88/803433088.db2.gz QZBDSFONVDAMFI-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1)c1c(F)ccc([O-])c1F ZINC001136064468 803628762 /nfs/dbraw/zinc/62/87/62/803628762.db2.gz OAJPJXTYKLGVEB-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM CCC(CC)CN(CC)C(=O)c1cccc([O-])c1F ZINC001136239269 803637458 /nfs/dbraw/zinc/63/74/58/803637458.db2.gz SXDFZXFMDDMYEL-UHFFFAOYSA-N -1 1 267.344 3.430 20 0 CGADMM Clc1cccc2[nH]c(-c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC001245577741 803828975 /nfs/dbraw/zinc/82/89/75/803828975.db2.gz JJFWKVLVSSMWJU-UHFFFAOYSA-N -1 1 296.721 3.063 20 0 CGADMM Clc1cccc2[nH]c(-c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC001245577741 803828984 /nfs/dbraw/zinc/82/89/84/803828984.db2.gz JJFWKVLVSSMWJU-UHFFFAOYSA-N -1 1 296.721 3.063 20 0 CGADMM CC(C)(C)C1CCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001138256014 803882283 /nfs/dbraw/zinc/88/22/83/803882283.db2.gz CPTHCJQPGXAILZ-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM COC(=O)c1cccnc1-c1c(F)ccc([O-])c1Cl ZINC001245825551 803980967 /nfs/dbraw/zinc/98/09/67/803980967.db2.gz CNWNDCWETOXMTI-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM CN(C)c1ccnc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245827290 803982208 /nfs/dbraw/zinc/98/22/08/803982208.db2.gz JWLKECCJGNLROP-UHFFFAOYSA-N -1 1 266.703 3.313 20 0 CGADMM CCOc1cc(-c2c(F)ccc([O-])c2Cl)ncn1 ZINC001245829993 803984288 /nfs/dbraw/zinc/98/42/88/803984288.db2.gz FYDVTTJRUCQZJK-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM CCc1ccc(-c2c(F)ccc([O-])c2Cl)nn1 ZINC001245830182 803984347 /nfs/dbraw/zinc/98/43/47/803984347.db2.gz ILJKKIQBPNVBPG-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM Cc1cc(C(N)=O)ccc1-c1c(F)ccc([O-])c1Cl ZINC001245834449 803988374 /nfs/dbraw/zinc/98/83/74/803988374.db2.gz IOAAOUWHIBEKMP-UHFFFAOYSA-N -1 1 279.698 3.259 20 0 CGADMM O=c1c(-c2c(F)ccc([O-])c2Cl)ccnn1C1CCC1 ZINC001245834498 803988832 /nfs/dbraw/zinc/98/88/32/803988832.db2.gz IZLTVEOHHXSWHA-UHFFFAOYSA-N -1 1 294.713 3.133 20 0 CGADMM CCCc1cc(=O)n(-c2cccc3ncccc32)[n-]1 ZINC001245926014 804054048 /nfs/dbraw/zinc/05/40/48/804054048.db2.gz YNIXMNBGFGSCEP-UHFFFAOYSA-N -1 1 253.305 3.079 20 0 CGADMM CCCCc1cc(=O)n(-c2cccc(C(=O)OCC)c2)[n-]1 ZINC001245926471 804054568 /nfs/dbraw/zinc/05/45/68/804054568.db2.gz JTUMBCBROOCQLI-UHFFFAOYSA-N -1 1 288.347 3.097 20 0 CGADMM COc1cc(-n2[n-]c(CC3CCC3)cc2=O)ccc1F ZINC001245937137 804066678 /nfs/dbraw/zinc/06/66/78/804066678.db2.gz LJZVSZDWNTYNJH-UHFFFAOYSA-N -1 1 276.311 3.068 20 0 CGADMM CC(C)COc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001212288434 815002418 /nfs/dbraw/zinc/00/24/18/815002418.db2.gz XLFZUCQSAGLXIV-UHFFFAOYSA-N -1 1 297.358 3.348 20 0 CGADMM CC1(CCNC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001139989455 804343566 /nfs/dbraw/zinc/34/35/66/804343566.db2.gz PPWLCERHJSSRQG-UHFFFAOYSA-N -1 1 287.281 3.331 20 0 CGADMM Cc1[nH]c(CN2CCC[C@@H]3CCCC[C@H]32)c(C)c1C(=O)[O-] ZINC001140497170 804447374 /nfs/dbraw/zinc/44/73/74/804447374.db2.gz HSVHAAWPOWGWHP-DZGCQCFKSA-N -1 1 290.407 3.484 20 0 CGADMM [O-]c1ccc(CN2CC[C@@H](F)C(F)(F)CC2)c(F)c1F ZINC001140889727 804541882 /nfs/dbraw/zinc/54/18/82/804541882.db2.gz JWWNIICJFUFWPT-SNVBAGLBSA-N -1 1 295.251 3.240 20 0 CGADMM CN(Cc1ccc(F)cc1)Cc1ccc([O-])c(F)c1F ZINC001140889875 804542415 /nfs/dbraw/zinc/54/24/15/804542415.db2.gz OFRPMLUWSIZNNC-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C)c(F)c(F)c2)c1 ZINC001256959047 807015810 /nfs/dbraw/zinc/01/58/10/807015810.db2.gz XXNFSXPYYMUSOG-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC(C)(C)c1nc([N-]c2cc(Cl)ccc2N)no1 ZINC001212427473 815026232 /nfs/dbraw/zinc/02/62/32/815026232.db2.gz QZEQSAMVGKVKHQ-UHFFFAOYSA-N -1 1 266.732 3.346 20 0 CGADMM Cc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc([O-])cc2F)cc1 ZINC001143003721 804793619 /nfs/dbraw/zinc/79/36/19/804793619.db2.gz XOGJSWLLLDZBME-GOEBONIOSA-N -1 1 285.318 3.126 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C2CCC2)C2CCCC2)c([O-])c1 ZINC001143044075 804798270 /nfs/dbraw/zinc/79/82/70/804798270.db2.gz ZENMTFDAYXOAJH-OAHLLOKOSA-N -1 1 288.391 3.184 20 0 CGADMM Nc1ccccc1C(=S)Nc1cc(F)cc(F)c1[O-] ZINC001212489408 815039044 /nfs/dbraw/zinc/03/90/44/815039044.db2.gz OBDWGVSYJKJSPZ-UHFFFAOYSA-N -1 1 280.299 3.040 20 0 CGADMM Cc1cccc2c1CN(Cc1c(F)cc([O-])cc1F)C2 ZINC001144542370 804999997 /nfs/dbraw/zinc/99/99/97/804999997.db2.gz VGGWNKHQTFWYCJ-UHFFFAOYSA-N -1 1 275.298 3.495 20 0 CGADMM [O-]c1cc(F)c(CN2CCc3sccc3C2)cc1F ZINC001144647335 805021543 /nfs/dbraw/zinc/02/15/43/805021543.db2.gz DXBDGLVHLNRPHV-UHFFFAOYSA-N -1 1 281.327 3.290 20 0 CGADMM C[C@H]1CCN(Cc2cc(F)c([O-])cc2F)CC1(F)F ZINC001144648256 805022750 /nfs/dbraw/zinc/02/27/50/805022750.db2.gz RQSWDDJPEQAXAQ-QMMMGPOBSA-N -1 1 277.261 3.148 20 0 CGADMM [O-]c1cc(F)c(CN2CC3(C2)CCCCC3)cc1F ZINC001144659732 805028490 /nfs/dbraw/zinc/02/84/90/805028490.db2.gz QBFVDDMJUXAAHT-UHFFFAOYSA-N -1 1 267.319 3.437 20 0 CGADMM FC(F)(F)CSc1cccc([N-]c2nnco2)c1 ZINC001249549468 805174192 /nfs/dbraw/zinc/17/41/92/805174192.db2.gz TZWSPIMDLFUSTN-UHFFFAOYSA-N -1 1 275.255 3.468 20 0 CGADMM CSc1ccccc1NC(=S)NC1=CC=C[CH]1 ZINC001249714858 805222250 /nfs/dbraw/zinc/22/22/50/805222250.db2.gz MWGGMHWYNQHANX-UHFFFAOYSA-N -1 1 261.395 3.353 20 0 CGADMM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc2cccnc2c1[O-] ZINC001149320206 805227940 /nfs/dbraw/zinc/22/79/40/805227940.db2.gz KZZHGUHWAQEIHT-LBPRGKRZSA-N -1 1 284.359 3.059 20 0 CGADMM C[C@@H]1CCCN(Cc2ccc(F)c(C(=O)[O-])c2F)[C@H]1C ZINC001249774433 805241404 /nfs/dbraw/zinc/24/14/04/805241404.db2.gz WLNZELCLJVZSGB-ZJUUUORDSA-N -1 1 283.318 3.283 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(F)c(C(=O)[O-])c2F)[C@@H](C)C1 ZINC001249774127 805242489 /nfs/dbraw/zinc/24/24/89/805242489.db2.gz SSKRRLCAGNCVDA-ZJUUUORDSA-N -1 1 283.318 3.283 20 0 CGADMM CCC(CC)[C@H](CCNC(=O)c1ccc(F)c([O-])c1)OC ZINC001151694075 805309326 /nfs/dbraw/zinc/30/93/26/805309326.db2.gz AETCHONVWQCDGD-HNNXBMFYSA-N -1 1 297.370 3.102 20 0 CGADMM [O-]c1cc(Nc2ccc(F)nc2)c(F)c(F)c1F ZINC001249957929 805323942 /nfs/dbraw/zinc/32/39/42/805323942.db2.gz GXSWYNDNUMZNHI-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM CC(C)n1cc(Nc2cc([O-])c(F)c(F)c2F)cn1 ZINC001249957064 805324787 /nfs/dbraw/zinc/32/47/87/805324787.db2.gz AMZOFHDOVJSGMY-UHFFFAOYSA-N -1 1 271.242 3.331 20 0 CGADMM [O-]c1cc(Nc2ncccc2F)c(F)c(F)c1F ZINC001249957762 805324820 /nfs/dbraw/zinc/32/48/20/805324820.db2.gz GESVUSFASNIPHO-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM [O-]c1cc(Nc2cnc3c(c2)COCC3)c(F)c(F)c1F ZINC001249957649 805325432 /nfs/dbraw/zinc/32/54/32/805325432.db2.gz DIHZWXIJLTYPTP-UHFFFAOYSA-N -1 1 296.248 3.021 20 0 CGADMM CCCc1cc(Nc2cc([O-])c(F)c(F)c2F)on1 ZINC001249959234 805327349 /nfs/dbraw/zinc/32/73/49/805327349.db2.gz YKKSZTMZWPXCTQ-UHFFFAOYSA-N -1 1 272.226 3.494 20 0 CGADMM Cc1cn(-c2cc([O-])c(F)c(F)c2F)c2ncc(N)cc12 ZINC001249961107 805328864 /nfs/dbraw/zinc/32/88/64/805328864.db2.gz GBYFKFQTUOIEAL-UHFFFAOYSA-N -1 1 293.248 3.039 20 0 CGADMM Nc1ccc2c(c1)CCCN2c1cc([O-])c(F)c(F)c1F ZINC001249965759 805332116 /nfs/dbraw/zinc/33/21/16/805332116.db2.gz KLGRFLRIHKONEE-UHFFFAOYSA-N -1 1 294.276 3.476 20 0 CGADMM Cn1nc2c(c1Nc1cc(Cl)c([O-])cc1F)CCC2 ZINC001250020087 805370542 /nfs/dbraw/zinc/37/05/42/805370542.db2.gz CZBHPZSOKBURFS-UHFFFAOYSA-N -1 1 281.718 3.151 20 0 CGADMM [O-]c1cc(F)c(Nc2ncncc2Cl)cc1Cl ZINC001250020518 805371749 /nfs/dbraw/zinc/37/17/49/805371749.db2.gz MPYDJWAZXCKKDA-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM CCc1ccc([C@H](C)NC(=O)c2ncc(C)cc2[O-])cc1 ZINC001153158316 805386189 /nfs/dbraw/zinc/38/61/89/805386189.db2.gz VSPKZOWXKHHALO-LBPRGKRZSA-N -1 1 284.359 3.149 20 0 CGADMM CCOc1cc(F)c([N-]c2nnc(C)o2)cc1Cl ZINC001250063545 805398049 /nfs/dbraw/zinc/39/80/49/805398049.db2.gz STUVCRQQKPQJOT-UHFFFAOYSA-N -1 1 271.679 3.313 20 0 CGADMM CC1(C)C[C@@H](NC(=O)c2c([O-])ccc3ccccc32)CCO1 ZINC001153503523 805400402 /nfs/dbraw/zinc/40/04/02/805400402.db2.gz AFFCSRRTVZTPNG-ZDUSSCGKSA-N -1 1 299.370 3.233 20 0 CGADMM CC(=O)c1cccnc1Nc1ccc(Cl)c([O-])c1 ZINC001212588396 815077286 /nfs/dbraw/zinc/07/72/86/815077286.db2.gz OLSOOQRZPUUZLJ-UHFFFAOYSA-N -1 1 262.696 3.387 20 0 CGADMM O=C(OCCc1ccc(Cl)c([O-])c1)c1ccccc1 ZINC001250213754 805495027 /nfs/dbraw/zinc/49/50/27/805495027.db2.gz OPRNMPRSSVCNKG-UHFFFAOYSA-N -1 1 276.719 3.445 20 0 CGADMM CC(C)(C)Cc1nnc(-c2c(F)ccc([O-])c2F)o1 ZINC001257903861 807248240 /nfs/dbraw/zinc/24/82/40/807248240.db2.gz WKBNPZPHBBZHKA-UHFFFAOYSA-N -1 1 268.263 3.309 20 0 CGADMM Fc1cccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1 ZINC001212688520 815104227 /nfs/dbraw/zinc/10/42/27/815104227.db2.gz GLCDALSSWNJLRN-UHFFFAOYSA-N -1 1 298.199 3.285 20 0 CGADMM Fc1cccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1 ZINC001212688520 815104229 /nfs/dbraw/zinc/10/42/29/815104229.db2.gz GLCDALSSWNJLRN-UHFFFAOYSA-N -1 1 298.199 3.285 20 0 CGADMM Cc1ccccc1Cc1nnc(-c2cc(F)ccc2[O-])o1 ZINC001258456362 807461719 /nfs/dbraw/zinc/46/17/19/807461719.db2.gz ZJDKRKWLAKQKCM-UHFFFAOYSA-N -1 1 284.290 3.481 20 0 CGADMM O=c1cccc(Nc2cc([O-])c(Cl)cc2F)[nH]1 ZINC001212790294 815138709 /nfs/dbraw/zinc/13/87/09/815138709.db2.gz BUQUUXUJFHPLQO-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2cccc(C)c2C)cn1 ZINC001260992295 807708342 /nfs/dbraw/zinc/70/83/42/807708342.db2.gz OVDOYWKPJVRDPZ-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM COc1cccc([N-]S(=O)(=O)c2cccc(C)c2C)c1 ZINC001260991538 807708694 /nfs/dbraw/zinc/70/86/94/807708694.db2.gz KJTJHIIKYQCZHF-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM Cc1cnc(F)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001212851660 815157776 /nfs/dbraw/zinc/15/77/76/815157776.db2.gz BYTCLCSVICCORG-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM C[C@@H](OCc1ccccc1)C(=O)Nc1cccc(F)c1[O-] ZINC001171632512 808109075 /nfs/dbraw/zinc/10/90/75/808109075.db2.gz DRNKCSHCMUDOSB-LLVKDONJSA-N -1 1 289.306 3.075 20 0 CGADMM O=C(CCc1cc(F)ccc1F)Nc1cccc(F)c1[O-] ZINC001171632654 808109441 /nfs/dbraw/zinc/10/94/41/808109441.db2.gz JSSCCHXNFDZWCI-UHFFFAOYSA-N -1 1 295.260 3.381 20 0 CGADMM Cc1c(=O)[n-]n(-c2ccccc2)c1NC1C[C@H]2CC[C@@H](C1)O2 ZINC001172223280 808202551 /nfs/dbraw/zinc/20/25/51/808202551.db2.gz BSMZAFCTPJJFQF-LQDVMPOASA-N -1 1 299.374 3.008 20 0 CGADMM CC(=O)Nc1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001173976098 808799450 /nfs/dbraw/zinc/79/94/50/808799450.db2.gz DGIKFGAANPIGKV-UHFFFAOYSA-N -1 1 278.258 3.372 20 0 CGADMM [O-]c1c(Br)ccc(Cl)c1Nc1cn[nH]c1 ZINC001174299835 808941519 /nfs/dbraw/zinc/94/15/19/808941519.db2.gz LWJATJNVKZOWAK-UHFFFAOYSA-N -1 1 288.532 3.275 20 0 CGADMM [O-]c1ccc(Cl)c(Nc2ccc3ncnn3c2)c1Cl ZINC001174375123 808982356 /nfs/dbraw/zinc/98/23/56/808982356.db2.gz KFABLYCQEVVNEB-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM C[C@H]1CCC[C@@H](C2CN(C(=O)c3ccc([O-])cc3F)C2)C1 ZINC001174820962 809170565 /nfs/dbraw/zinc/17/05/65/809170565.db2.gz LWAXWHXKUFWQPK-NWDGAFQWSA-N -1 1 291.366 3.430 20 0 CGADMM [O-]c1c(F)cc(Nc2cccc3nsnc32)cc1F ZINC001213379387 815273065 /nfs/dbraw/zinc/27/30/65/815273065.db2.gz USBGMPYRVJNFFU-UHFFFAOYSA-N -1 1 279.271 3.419 20 0 CGADMM COc1ccc(N)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213384456 815274377 /nfs/dbraw/zinc/27/43/77/815274377.db2.gz NIACFOVURMCKKX-UHFFFAOYSA-N -1 1 266.247 3.005 20 0 CGADMM CCOc1ccc(OC(=O)c2ccc([O-])cc2F)cc1 ZINC001290291406 809405142 /nfs/dbraw/zinc/40/51/42/809405142.db2.gz ZLPAAOCUTRBUSV-UHFFFAOYSA-N -1 1 276.263 3.149 20 0 CGADMM CCC1(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001294275394 809465161 /nfs/dbraw/zinc/46/51/61/809465161.db2.gz XZZPYSXJXLWIBH-UHFFFAOYSA-N -1 1 287.281 3.331 20 0 CGADMM C[C@@H](Cc1ccsc1)N(C)C(=O)c1cccc([O-])c1F ZINC001294339754 809467212 /nfs/dbraw/zinc/46/72/12/809467212.db2.gz WXUJYKYBYZVEAM-JTQLQIEISA-N -1 1 293.363 3.296 20 0 CGADMM Cc1cccc([C@H](C)NC(=O)c2ccc([O-])cc2F)c1 ZINC001295485737 809487721 /nfs/dbraw/zinc/48/77/21/809487721.db2.gz ZCXGRCBBTIPCFU-NSHDSACASA-N -1 1 273.307 3.331 20 0 CGADMM Cc1[nH]nc2cc(Nc3ccc(C(=O)[O-])cc3)ccc12 ZINC001175662259 809496945 /nfs/dbraw/zinc/49/69/45/809496945.db2.gz BQQSYFNNEKJSTR-UHFFFAOYSA-N -1 1 267.288 3.313 20 0 CGADMM Cc1[nH]ccc1C(=O)Nc1cccc([O-])c1Br ZINC001298219619 809531058 /nfs/dbraw/zinc/53/10/58/809531058.db2.gz HIJXZCQJRNNJBE-UHFFFAOYSA-N -1 1 295.136 3.044 20 0 CGADMM Cc1ccncc1/C=C\C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001299582168 809552144 /nfs/dbraw/zinc/55/21/44/809552144.db2.gz XBBUBYMYORASTI-IHWYPQMZSA-N -1 1 290.269 3.026 20 0 CGADMM CCC(F)(F)CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001300902809 809575086 /nfs/dbraw/zinc/57/50/86/809575086.db2.gz ZXUBRDULDPIIIV-UHFFFAOYSA-N -1 1 297.223 3.186 20 0 CGADMM C[C@@H](Cc1ccccc1F)C(=O)[N-]Oc1ccccc1F ZINC001303332658 809608387 /nfs/dbraw/zinc/60/83/87/809608387.db2.gz IBHCYPBPHNBCLS-NSHDSACASA-N -1 1 291.297 3.254 20 0 CGADMM Cc1ccc([N-]c2nonc2C2CC2)c(F)c1F ZINC001176094560 809622231 /nfs/dbraw/zinc/62/22/31/809622231.db2.gz KGRLTAOCZQAJBP-UHFFFAOYSA-N -1 1 251.236 3.277 20 0 CGADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)cnc1F ZINC001176663163 809736971 /nfs/dbraw/zinc/73/69/71/809736971.db2.gz CLADROSMYONBBO-UHFFFAOYSA-N -1 1 272.201 3.396 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cc(F)ccn2)c1F ZINC001176663046 809737119 /nfs/dbraw/zinc/73/71/19/809737119.db2.gz AMCVTERHMSZRTP-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM Cc1ncc(Nc2c(F)cc(F)c([O-])c2F)s1 ZINC001176663224 809737418 /nfs/dbraw/zinc/73/74/18/809737418.db2.gz DZWNVMWFUMBFIY-UHFFFAOYSA-N -1 1 260.240 3.318 20 0 CGADMM Cc1noc(C)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663741 809738326 /nfs/dbraw/zinc/73/83/26/809738326.db2.gz HJKPRRUESVEEGR-UHFFFAOYSA-N -1 1 258.199 3.158 20 0 CGADMM Nc1cc(Cl)cnc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663822 809738349 /nfs/dbraw/zinc/73/83/49/809738349.db2.gz JDCWGXCYIGIKEI-UHFFFAOYSA-N -1 1 289.644 3.184 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccn3ccnc3c2)c1F ZINC001176669881 809739501 /nfs/dbraw/zinc/73/95/01/809739501.db2.gz NVZXSXYKJUBPJY-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cc(CO)ccc2F)c1F ZINC001176671677 809739690 /nfs/dbraw/zinc/73/96/90/809739690.db2.gz KUYJTXDZKUYQHA-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM Cc1cc(CO)cc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176673383 809741235 /nfs/dbraw/zinc/74/12/35/809741235.db2.gz FIYVQFPLAKCTII-UHFFFAOYSA-N -1 1 283.249 3.354 20 0 CGADMM Cc1ccc(CNC(=O)Nc2c(F)cc([O-])cc2F)cc1 ZINC001185406468 810262159 /nfs/dbraw/zinc/26/21/59/810262159.db2.gz JDLSZZUZGFTUCJ-UHFFFAOYSA-N -1 1 292.285 3.301 20 0 CGADMM CC(C)(CNC(=O)c1ccc([O-])cc1F)CC1CC1 ZINC001186339322 810329429 /nfs/dbraw/zinc/32/94/29/810329429.db2.gz CQKQGUHSKIBXAF-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM O=S(=O)([N-]c1cccc2c(Cl)ccnc12)C1CCC1 ZINC001188138686 810457012 /nfs/dbraw/zinc/45/70/12/810457012.db2.gz IAUDGCRWLLYGIL-UHFFFAOYSA-N -1 1 296.779 3.182 20 0 CGADMM Cc1ccc(O)c(Nc2ccc(F)c(F)c2[O-])c1 ZINC001214231412 815388882 /nfs/dbraw/zinc/38/88/82/815388882.db2.gz FWGQLFOSTGYWPU-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM O=S(=O)(CC1CCCC1)[N-]c1cc2ccccc2cn1 ZINC001191490123 810719341 /nfs/dbraw/zinc/71/93/41/810719341.db2.gz RGHPEAWZSOHQDB-UHFFFAOYSA-N -1 1 290.388 3.167 20 0 CGADMM Cc1ccc(O)cc1Nc1cc2ccc([O-])cc2oc1=O ZINC001214343407 815398534 /nfs/dbraw/zinc/39/85/34/815398534.db2.gz PORPOAIDKAROOE-UHFFFAOYSA-N -1 1 283.283 3.256 20 0 CGADMM CC(=O)c1ccsc1NC(=O)c1cc([O-])cc(F)c1F ZINC001192651936 810813907 /nfs/dbraw/zinc/81/39/07/810813907.db2.gz PVRZZWNQPJMUKW-UHFFFAOYSA-N -1 1 297.282 3.187 20 0 CGADMM Cc1ccc(N)c2nn(-c3cc(F)c([O-])c(Cl)c3)cc21 ZINC001214486665 815416587 /nfs/dbraw/zinc/41/65/87/815416587.db2.gz SRKGMMRPGOHWHN-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(O)c1C ZINC001194643246 811099725 /nfs/dbraw/zinc/09/97/25/811099725.db2.gz JSIGRAGMSAWSME-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM CC(C)CCOC(=O)Nc1ccc([O-])c(F)c1F ZINC001194871389 811158656 /nfs/dbraw/zinc/15/86/56/811158656.db2.gz FUEFXMFFRNEYRL-UHFFFAOYSA-N -1 1 259.252 3.265 20 0 CGADMM O=C(Nc1c(F)cc([O-])cc1F)Oc1ccc(F)cc1 ZINC001195039948 811188734 /nfs/dbraw/zinc/18/87/34/811188734.db2.gz JOWNTVBOBHPLKH-UHFFFAOYSA-N -1 1 283.205 3.420 20 0 CGADMM CC(C)CCC[C@@H](C)NC(=O)c1cc([O-])cnc1Cl ZINC001195312999 811240163 /nfs/dbraw/zinc/24/01/63/811240163.db2.gz NMBJRAFEEMAODF-SNVBAGLBSA-N -1 1 284.787 3.385 20 0 CGADMM [O-]c1c(F)cc(F)cc1NC(=S)NCc1ccccc1 ZINC001195635882 811273274 /nfs/dbraw/zinc/27/32/74/811273274.db2.gz URNCKGDTEVSNII-UHFFFAOYSA-N -1 1 294.326 3.157 20 0 CGADMM CC[C@H](C)CNC(=S)Nc1cc(F)c(F)cc1[O-] ZINC001200253136 811653541 /nfs/dbraw/zinc/65/35/41/811653541.db2.gz AKANJYISLWGUDZ-ZETCQYMHSA-N -1 1 274.336 3.003 20 0 CGADMM CC[C@@H](C)NC(=S)Nc1cccc(C(F)(F)F)c1[O-] ZINC001200497037 811707726 /nfs/dbraw/zinc/70/77/26/811707726.db2.gz QRRFULFUZPPALR-SSDOTTSWSA-N -1 1 292.326 3.496 20 0 CGADMM [O-]c1cc(F)ccc1NC(=S)Nc1ccccc1 ZINC001200837382 811752254 /nfs/dbraw/zinc/75/22/54/811752254.db2.gz FXKGQQLYLHDDOA-UHFFFAOYSA-N -1 1 262.309 3.340 20 0 CGADMM COc1ccc(NC(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001202394110 812084515 /nfs/dbraw/zinc/08/45/15/812084515.db2.gz JIVMQLIKPXCKLD-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM [O-]c1cc(O)ccc1-c1nc(-c2ccc(F)cc2F)no1 ZINC001215296906 815504050 /nfs/dbraw/zinc/50/40/50/815504050.db2.gz DGAZYQVGNMBOFW-UHFFFAOYSA-N -1 1 290.225 3.093 20 0 CGADMM CCOc1cc(C)c(Nc2ccnc(Cl)c2[O-])cn1 ZINC001203045384 812227390 /nfs/dbraw/zinc/22/73/90/812227390.db2.gz OXTJZBHRKUBSKW-UHFFFAOYSA-N -1 1 279.727 3.286 20 0 CGADMM Cc1cc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)c(C)o1 ZINC001203321299 812309599 /nfs/dbraw/zinc/30/95/99/812309599.db2.gz WEZVYIMXUFENDJ-UHFFFAOYSA-N -1 1 283.331 3.400 20 0 CGADMM COc1ccc2c([N-]c3nnc(C(C)C)o3)ccnc2c1 ZINC001203519922 812380675 /nfs/dbraw/zinc/38/06/75/812380675.db2.gz NUWWBDQZUXRCRQ-UHFFFAOYSA-N -1 1 284.319 3.493 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc2cncnc2c1 ZINC001203703333 812433601 /nfs/dbraw/zinc/43/36/01/812433601.db2.gz PNSOGVIMEUIGQI-UHFFFAOYSA-N -1 1 272.695 3.127 20 0 CGADMM [O-]c1cc(Nc2cc(F)c(O)cc2F)cc(F)c1F ZINC001215573963 815538727 /nfs/dbraw/zinc/53/87/27/815538727.db2.gz LJKIUYSZUCMJRA-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM Cc1ccc(OC(C)C)cc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001215584718 815542673 /nfs/dbraw/zinc/54/26/73/815542673.db2.gz RRMVWFSPSOVQMK-UHFFFAOYSA-N -1 1 297.358 3.409 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc(Cl)c(F)c3)no2)nn1 ZINC001205293512 812934896 /nfs/dbraw/zinc/93/48/96/812934896.db2.gz DDYMDBPBDHAOSV-UHFFFAOYSA-N -1 1 292.657 3.253 20 0 CGADMM COc1cc(F)c(Nc2ccnc(Cl)c2[O-])cc1OC ZINC001215719968 815564864 /nfs/dbraw/zinc/56/48/64/815564864.db2.gz SCZQIYQLSUSXLG-UHFFFAOYSA-N -1 1 298.701 3.341 20 0 CGADMM Cc1c[nH]c2ncc([N-]c3nnc(-c4ccco4)o3)cc12 ZINC001206020394 813167826 /nfs/dbraw/zinc/16/78/26/813167826.db2.gz IJPJEJJTHCALQB-UHFFFAOYSA-N -1 1 281.275 3.258 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(F)cc1O ZINC001210015641 814244187 /nfs/dbraw/zinc/24/41/87/814244187.db2.gz KLFLHPBIIDKXFK-UHFFFAOYSA-N -1 1 287.246 3.087 20 0 CGADMM CC1(C)CC=C(n2[n-]c(=O)c3cc(N)ccc32)CC1 ZINC001210165537 814318007 /nfs/dbraw/zinc/31/80/07/814318007.db2.gz GELVCPAYEIKMNS-UHFFFAOYSA-N -1 1 257.337 3.375 20 0 CGADMM CC(=O)c1ccc([N-]c2nc(C(C)(C)C)ns2)cn1 ZINC001210271431 814372414 /nfs/dbraw/zinc/37/24/14/814372414.db2.gz YAQVMQWHERKIEN-UHFFFAOYSA-N -1 1 276.365 3.177 20 0 CGADMM CC(=O)c1ccc(Nc2cccc([O-])c2Cl)cn1 ZINC001210278142 814376568 /nfs/dbraw/zinc/37/65/68/814376568.db2.gz WMWPPSAVJFMTJO-UHFFFAOYSA-N -1 1 262.696 3.387 20 0 CGADMM C[C@@H](O)c1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001210506871 814495761 /nfs/dbraw/zinc/49/57/61/814495761.db2.gz LPEJKUUCQRNVHE-MRVPVSSYSA-N -1 1 264.712 3.238 20 0 CGADMM CC(=O)c1cc(Nc2nc3c(cccc3[O-])s2)ccn1 ZINC001210587826 814543096 /nfs/dbraw/zinc/54/30/96/814543096.db2.gz DXVFCEIMFYMIJQ-UHFFFAOYSA-N -1 1 285.328 3.343 20 0 CGADMM C[C@H](O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001210649287 814571692 /nfs/dbraw/zinc/57/16/92/814571692.db2.gz SNECJRKGMMUAPX-QMMMGPOBSA-N -1 1 265.259 3.467 20 0 CGADMM CSc1nc(Nc2cccc(OC3CC3)c2)cc(=O)[n-]1 ZINC001210860178 814654759 /nfs/dbraw/zinc/65/47/59/814654759.db2.gz JLBTZJFBNQIGTO-UHFFFAOYSA-N -1 1 289.360 3.189 20 0 CGADMM Cc1nc2ccc(-c3cccc([O-])c3Cl)nc2n1C ZINC001242797485 823135205 /nfs/dbraw/zinc/13/52/05/823135205.db2.gz JJBMOIMTUGUNDY-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM [O-]c1cccc(-c2cnc(N3CCCC3)nc2)c1Cl ZINC001242799829 823136749 /nfs/dbraw/zinc/13/67/49/823136749.db2.gz FCPBUABRPRYLGG-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM [O-]c1cccc(-c2nccc(C(F)F)n2)c1Cl ZINC001242800606 823136531 /nfs/dbraw/zinc/13/65/31/823136531.db2.gz KFBQQSMZQAAWAY-UHFFFAOYSA-N -1 1 256.639 3.440 20 0 CGADMM [O-]c1cccc(-c2cnc3c(n2)CCCC3)c1Cl ZINC001242801864 823137252 /nfs/dbraw/zinc/13/72/52/823137252.db2.gz ZQUTXHCCPLWHMH-UHFFFAOYSA-N -1 1 260.724 3.381 20 0 CGADMM [O-]c1cccc(-c2cc(N3CCCCC3)ncn2)c1Cl ZINC001242801725 823137509 /nfs/dbraw/zinc/13/75/09/823137509.db2.gz WMXCEXJSGXVRJE-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM O=c1ccc(-c2cccc([O-])c2Cl)cn1-c1ccccn1 ZINC001242801961 823137545 /nfs/dbraw/zinc/13/75/45/823137545.db2.gz JKPJDPCDDVKAFL-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cnccc1Cl ZINC001211209258 814848710 /nfs/dbraw/zinc/84/87/10/814848710.db2.gz KUUCBTPVHZDKRX-UHFFFAOYSA-N -1 1 256.092 3.233 20 0 CGADMM CC1(c2ccc(-c3cccc([O-])c3Cl)cn2)OCCO1 ZINC001242803460 823138550 /nfs/dbraw/zinc/13/85/50/823138550.db2.gz QZFZAUSQPZSWGZ-UHFFFAOYSA-N -1 1 291.734 3.327 20 0 CGADMM COC(=O)c1cc(C)cc(-c2cc(F)c([O-])cc2F)c1 ZINC001211349822 814883817 /nfs/dbraw/zinc/88/38/17/814883817.db2.gz HQCYXUAWCIZZEQ-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM [O-]c1cc(F)c(-c2ccccc2N2CCOCC2)cc1F ZINC001211352164 814884867 /nfs/dbraw/zinc/88/48/67/814884867.db2.gz ILOYKSBCXMSHPT-UHFFFAOYSA-N -1 1 291.297 3.174 20 0 CGADMM O=c1ccc(-c2cc(F)c([O-])cc2F)cn1CC1CCC1 ZINC001211359062 814885538 /nfs/dbraw/zinc/88/55/38/814885538.db2.gz ADHVKWZAHWHVLK-UHFFFAOYSA-N -1 1 291.297 3.299 20 0 CGADMM Cn1cnc(-c2ccc(-c3cc(F)c([O-])cc3F)cc2)n1 ZINC001211359776 814886751 /nfs/dbraw/zinc/88/67/51/814886751.db2.gz LPOAKACKYJBEQU-UHFFFAOYSA-N -1 1 287.269 3.133 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1cc(C)cnc1SC ZINC001216239178 815751068 /nfs/dbraw/zinc/75/10/68/815751068.db2.gz HBHBDUVIHKOJGI-UHFFFAOYSA-N -1 1 293.348 3.020 20 0 CGADMM COc1c(O)cccc1Nc1cc([O-])c(F)c(F)c1 ZINC001216352559 815797843 /nfs/dbraw/zinc/79/78/43/815797843.db2.gz RXAZHPLGVNEIMD-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM COc1cc(Nc2c([O-])cc(F)cc2F)c(Cl)cn1 ZINC001216386502 815807207 /nfs/dbraw/zinc/80/72/07/815807207.db2.gz MLEJSQSTSAJCRB-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CC(C)c1nnc([N-]c2cccc(Cl)c2N)o1 ZINC001216523811 815848637 /nfs/dbraw/zinc/84/86/37/815848637.db2.gz AMIFCHPADQGWKT-UHFFFAOYSA-N -1 1 252.705 3.172 20 0 CGADMM COc1ccc(-c2cc(F)c([O-])cc2F)c(OC)c1F ZINC001222082439 816342812 /nfs/dbraw/zinc/34/28/12/816342812.db2.gz FFSYKFQALGSKFC-UHFFFAOYSA-N -1 1 284.233 3.494 20 0 CGADMM COc1cc(SC)c(-c2cc(F)c([O-])cc2F)cn1 ZINC001222082836 816342852 /nfs/dbraw/zinc/34/28/52/816342852.db2.gz JCUUWCUBDSVCRH-UHFFFAOYSA-N -1 1 283.299 3.463 20 0 CGADMM CC(C)COc1ncc(-c2cc(F)c([O-])cc2F)cn1 ZINC001222082411 816342977 /nfs/dbraw/zinc/34/29/77/816342977.db2.gz CTYJXPOTIHHFKZ-UHFFFAOYSA-N -1 1 280.274 3.162 20 0 CGADMM CC1=C(/C=C/[C@@H](C)OCc2nn[n-]n2)C(C)(C)CCC1 ZINC001223027169 816554128 /nfs/dbraw/zinc/55/41/28/816554128.db2.gz MWFRJKQIPYFZHD-ABZNLYFFSA-N -1 1 276.384 3.188 20 0 CGADMM CCCCC[C@H](OCc1nn[n-]n1)c1ccccc1 ZINC001223027138 816554295 /nfs/dbraw/zinc/55/42/95/816554295.db2.gz MFOPNKYGLFBNEA-ZDUSSCGKSA-N -1 1 260.341 3.038 20 0 CGADMM Cc1nnc(-c2ccc(F)c([O-])c2)c2ccccc12 ZINC001243046254 823223621 /nfs/dbraw/zinc/22/36/21/823223621.db2.gz CLZGUFWJPYJRKU-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM Cc1cc(C(F)(F)F)c(-c2ccc(F)c([O-])c2)nn1 ZINC001243049133 823225637 /nfs/dbraw/zinc/22/56/37/823225637.db2.gz PEMXPYUVYWQWRE-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM CSc1ccnc(-c2ccc(F)c([O-])c2)c1F ZINC001243054800 823229706 /nfs/dbraw/zinc/22/97/06/823229706.db2.gz TZVBWGDAJANNHS-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM Cc1ccc([C@@H](C)OCCCC[P@](=O)([O-])O)c(C)c1 ZINC001225019065 816934939 /nfs/dbraw/zinc/93/49/39/816934939.db2.gz PZTTYUIBQAHLMC-CYBMUJFWSA-N -1 1 286.308 3.339 20 0 CGADMM CC[C@@H](C)[C@H](C)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225678514 817138077 /nfs/dbraw/zinc/13/80/77/817138077.db2.gz IEWARASCXQUJBB-SCZZXKLOSA-N -1 1 252.310 3.114 20 0 CGADMM CC[C@@H](C)[C@@H](C)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225678513 817138273 /nfs/dbraw/zinc/13/82/73/817138273.db2.gz IEWARASCXQUJBB-PSASIEDQSA-N -1 1 252.310 3.114 20 0 CGADMM CCC[C@H](C)Oc1cc([O-])cc2oc(=O)cc(C)c12 ZINC001226484852 817372981 /nfs/dbraw/zinc/37/29/81/817372981.db2.gz INGKWPGFBZDFHX-JTQLQIEISA-N -1 1 262.305 3.374 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@@H](C)c2ccccc2F)c1Cl ZINC001227111633 817561491 /nfs/dbraw/zinc/56/14/91/817561491.db2.gz OPPRTUYCYLATRY-QMMMGPOBSA-N -1 1 282.702 3.423 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1C[C@@H](C)CC[C@H]1C ZINC001227169383 817578744 /nfs/dbraw/zinc/57/87/44/817578744.db2.gz SNNUUSNWPLRARM-HWWQOWPSSA-N -1 1 292.375 3.425 20 0 CGADMM Cc1cccc2c1[C@@H](Oc1[n-]c(=S)ncc1F)CC2 ZINC001227384468 817636764 /nfs/dbraw/zinc/63/67/64/817636764.db2.gz ADOXEIFKDWRQQA-NSHDSACASA-N -1 1 276.336 3.279 20 0 CGADMM Fc1ccc2c(c1)CC[C@H]2Oc1[n-]c(=S)ncc1F ZINC001227387089 817637462 /nfs/dbraw/zinc/63/74/62/817637462.db2.gz TVZMHIRXGCGKDH-LLVKDONJSA-N -1 1 280.299 3.110 20 0 CGADMM CCOC(=O)[C@H](CC)Oc1cc(Cl)c([O-])cc1Cl ZINC001227646160 817687725 /nfs/dbraw/zinc/68/77/25/817687725.db2.gz PDVFXVCSVWYDLU-JTQLQIEISA-N -1 1 293.146 3.420 20 0 CGADMM Cc1ccc([C@@H](C)Oc2[n-]c(=O)nc3c2CO[C@H]3C)cc1 ZINC001227717087 817702249 /nfs/dbraw/zinc/70/22/49/817702249.db2.gz XCUQWAJTXDKLPQ-MNOVXSKESA-N -1 1 286.331 3.222 20 0 CGADMM S=c1nc2cnccc2c(OC2CCCCC2)[n-]1 ZINC001227881145 817742626 /nfs/dbraw/zinc/74/26/26/817742626.db2.gz KMZPKVZERMHEDC-UHFFFAOYSA-N -1 1 261.350 3.399 20 0 CGADMM CCCC[C@H](Oc1nc(C(=O)OC)n[n-]1)C1CCCCC1 ZINC001228309943 817872939 /nfs/dbraw/zinc/87/29/39/817872939.db2.gz BDYCHYQNQDLRNQ-LBPRGKRZSA-N -1 1 295.383 3.109 20 0 CGADMM CCCC[C@H](Oc1n[n-]c(C(=O)OC)n1)C1CCCCC1 ZINC001228309943 817872951 /nfs/dbraw/zinc/87/29/51/817872951.db2.gz BDYCHYQNQDLRNQ-LBPRGKRZSA-N -1 1 295.383 3.109 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CC[C@H](C)C1 ZINC001228554491 817937069 /nfs/dbraw/zinc/93/70/69/817937069.db2.gz JYOYZGKIAWEHFA-GXSJLCMTSA-N -1 1 264.321 3.258 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H](C)c1cccnc1 ZINC001228560604 817939539 /nfs/dbraw/zinc/93/95/39/817939539.db2.gz QBMWGHSLAJMKRU-JTQLQIEISA-N -1 1 287.315 3.226 20 0 CGADMM CCC[C@@H](Oc1cnnc(=S)[n-]1)c1ccccc1 ZINC001228637284 817958453 /nfs/dbraw/zinc/95/84/53/817958453.db2.gz VBKLNCAFVKKCSM-LLVKDONJSA-N -1 1 261.350 3.081 20 0 CGADMM C[C@H](Oc1cccnc1-c1ncccc1[O-])C1CC1 ZINC001231201890 818058081 /nfs/dbraw/zinc/05/80/81/818058081.db2.gz OARDPASSTWCOGU-JTQLQIEISA-N -1 1 256.305 3.027 20 0 CGADMM [O-]c1cccnc1-c1ncccc1O[C@H]1CCC(F)(F)C1 ZINC001231203747 818058660 /nfs/dbraw/zinc/05/86/60/818058660.db2.gz LYWATOCTVFSFTM-JTQLQIEISA-N -1 1 292.285 3.416 20 0 CGADMM Cc1ccc2c(c1)CN(Cc1ccc(C(=O)[O-])s1)CC2 ZINC001231461737 818102940 /nfs/dbraw/zinc/10/29/40/818102940.db2.gz PWKMYFWCNCOJLO-UHFFFAOYSA-N -1 1 287.384 3.313 20 0 CGADMM [O-]c1cccc(CN2CC3(C2)C[C@@H](F)CS3)c1Cl ZINC001232788787 818440739 /nfs/dbraw/zinc/44/07/39/818440739.db2.gz NKRLQFUOEYTRAX-SNVBAGLBSA-N -1 1 287.787 3.075 20 0 CGADMM C[C@@]1(CF)CC(F)(F)CN1Cc1ccc(F)c([O-])c1F ZINC001232931486 818475067 /nfs/dbraw/zinc/47/50/67/818475067.db2.gz OZBOMNLOAOSHPB-LBPRGKRZSA-N -1 1 295.251 3.240 20 0 CGADMM FC1(F)CSC2(CN(Cc3ccc([S-])cc3)C2)C1 ZINC001233261973 818559689 /nfs/dbraw/zinc/55/96/89/818559689.db2.gz LXCGSWVZOSURNZ-UHFFFAOYSA-N -1 1 287.400 3.302 20 0 CGADMM Cc1cnc2c(c1)CN(Cc1ccc([S-])cc1)CC2 ZINC001233262627 818561272 /nfs/dbraw/zinc/56/12/72/818561272.db2.gz OFNGOLMMOHGQLW-UHFFFAOYSA-N -1 1 270.401 3.237 20 0 CGADMM O=C([O-])c1cc(Cl)cc(-c2cccc3cncn32)c1 ZINC001243324198 823347716 /nfs/dbraw/zinc/34/77/16/823347716.db2.gz FCLSKYCYPBUPQV-UHFFFAOYSA-N -1 1 272.691 3.353 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1COc2cnccc21 ZINC001233655673 818671514 /nfs/dbraw/zinc/67/15/14/818671514.db2.gz ZDZSKFQJYRYVTP-KRWDZBQOSA-N -1 1 299.326 3.283 20 0 CGADMM CCOC(=O)Cc1ccccc1-c1ccc([O-])c(F)c1F ZINC001243342076 823355928 /nfs/dbraw/zinc/35/59/28/823355928.db2.gz ITSYBGVGPQSZHU-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM [O-]c1ccc(-c2ccc3c(c2)OCCN3)c(F)c1F ZINC001243341669 823356391 /nfs/dbraw/zinc/35/63/91/823356391.db2.gz WLHPHHMHJFJCIW-UHFFFAOYSA-N -1 1 263.243 3.142 20 0 CGADMM COc1cc(-c2ccc([O-])c(F)c2F)cc(OC)c1OC ZINC001243342073 823356405 /nfs/dbraw/zinc/35/64/05/823356405.db2.gz BESLWVPALSLTJU-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM COCc1cccc(-c2ccc([O-])c(F)c2F)c1 ZINC001243342892 823357148 /nfs/dbraw/zinc/35/71/48/823357148.db2.gz OHQOJGSJXRWRRX-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM Cn1cc(-c2ccc([O-])c(F)c2F)c2ccccc2c1=O ZINC001243342642 823357767 /nfs/dbraw/zinc/35/77/67/823357767.db2.gz MSXYLFATPZDWOO-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM COc1nc(OC)c(-c2ccc([O-])c(F)c2F)cc1C ZINC001243343480 823358722 /nfs/dbraw/zinc/35/87/22/823358722.db2.gz DJUIXLWXSDGMEA-UHFFFAOYSA-N -1 1 281.258 3.058 20 0 CGADMM COC(=O)c1ccc(-c2ccc([O-])c(F)c2F)c(C)c1 ZINC001243343280 823359461 /nfs/dbraw/zinc/35/94/61/823359461.db2.gz YLNVPZWLOFIIFU-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM COC(=O)c1cccc2[n-]c(O[C@H](C)C3CCCC3)nc21 ZINC001234046162 818766196 /nfs/dbraw/zinc/76/61/96/818766196.db2.gz YZRMSUKINXQYPI-SNVBAGLBSA-N -1 1 288.347 3.307 20 0 CGADMM COC(=O)c1cccc2nc(O[C@H](C)C3CCCC3)[n-]c21 ZINC001234046162 818766201 /nfs/dbraw/zinc/76/62/01/818766201.db2.gz YZRMSUKINXQYPI-SNVBAGLBSA-N -1 1 288.347 3.307 20 0 CGADMM O=C([O-])/C=C/c1ccc(-c2cc(-n3ccnc3)ccn2)cc1 ZINC001235169247 819022771 /nfs/dbraw/zinc/02/27/71/819022771.db2.gz KQINVLSKDQCHQL-ZZXKWVIFSA-N -1 1 291.310 3.032 20 0 CGADMM Cc1ccc(F)c(-c2ccc(-c3cccnc3)nn2)c1[O-] ZINC001236389468 819446367 /nfs/dbraw/zinc/44/63/67/819446367.db2.gz FVJWZKDOARFVOI-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM Cc1ccc(F)c(-c2cnc3c(n2)CCCC3)c1[O-] ZINC001236389449 819446604 /nfs/dbraw/zinc/44/66/04/819446604.db2.gz DCUKGGPNHZBVNC-UHFFFAOYSA-N -1 1 258.296 3.176 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cnc2scnc2c1 ZINC001243501849 823421421 /nfs/dbraw/zinc/42/14/21/823421421.db2.gz DKGBIAQVXDZYIR-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc(-c2nnco2)cc1 ZINC001243503777 823422586 /nfs/dbraw/zinc/42/25/86/823422586.db2.gz VMBAQULMEIINNT-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cc(F)cc2nccnc21 ZINC001243505586 823423521 /nfs/dbraw/zinc/42/35/21/823423521.db2.gz ICMKELNGUXQLRN-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM CCOc1cc(C)c(-c2cc(F)cc(F)c2[O-])cn1 ZINC001243506147 823424131 /nfs/dbraw/zinc/42/41/31/823424131.db2.gz XYSMTGISERFMOR-UHFFFAOYSA-N -1 1 265.259 3.440 20 0 CGADMM Cn1c(=O)c(-c2cccc([O-])c2F)cc2ccccc21 ZINC001243547826 823439570 /nfs/dbraw/zinc/43/95/70/823439570.db2.gz XGZJZYHMZBOKOP-UHFFFAOYSA-N -1 1 269.275 3.050 20 0 CGADMM CO[C@@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)CC1 ZINC001238150402 819942425 /nfs/dbraw/zinc/94/24/25/819942425.db2.gz TXCQTDGNNVYUKA-LLVKDONJSA-N -1 1 287.762 3.186 20 0 CGADMM [O-]c1ccc(Br)c(CN2CCCCC2)c1F ZINC001238304621 819973074 /nfs/dbraw/zinc/97/30/74/819973074.db2.gz GVOLJCIUPKFKKT-UHFFFAOYSA-N -1 1 288.160 3.280 20 0 CGADMM COC(=O)c1cc(F)cnc1-c1ccc(Cl)c([O-])c1 ZINC001243576186 823451546 /nfs/dbraw/zinc/45/15/46/823451546.db2.gz FBODJTCAPPQUAL-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM COc1cnc(-c2ccc(Cl)c([O-])c2)nc1NC1CC1 ZINC001243577102 823451932 /nfs/dbraw/zinc/45/19/32/823451932.db2.gz SZMHEKDGQKGIIK-UHFFFAOYSA-N -1 1 291.738 3.086 20 0 CGADMM Cc1ccc(-c2ccc(Cl)c([O-])c2)cc1S(C)(=O)=O ZINC001243578321 823452000 /nfs/dbraw/zinc/45/20/00/823452000.db2.gz NISHOOQQABZTGV-UHFFFAOYSA-N -1 1 296.775 3.425 20 0 CGADMM CC(=O)Nc1c(C)ccnc1-c1ccc(Cl)c([O-])c1 ZINC001243578236 823452111 /nfs/dbraw/zinc/45/21/11/823452111.db2.gz FMYUGXMOWZHFPC-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM COC(=O)Cc1ccccc1-c1ccc(Cl)c([O-])c1 ZINC001243578874 823452997 /nfs/dbraw/zinc/45/29/97/823452997.db2.gz XDBYNDWPSIQUKQ-UHFFFAOYSA-N -1 1 276.719 3.428 20 0 CGADMM NC(=O)Nc1cccc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243582158 823454013 /nfs/dbraw/zinc/45/40/13/823454013.db2.gz ZCNGFPDFPVZJPU-UHFFFAOYSA-N -1 1 262.696 3.203 20 0 CGADMM CS(=O)(=O)Cc1ccccc1-c1ccc(Cl)c([O-])c1 ZINC001243583631 823455760 /nfs/dbraw/zinc/45/57/60/823455760.db2.gz JTAOSRGCHXUZMV-UHFFFAOYSA-N -1 1 296.775 3.257 20 0 CGADMM NC(=S)c1ccc(-c2ccc(Cl)c([O-])c2)cc1 ZINC001243584886 823456369 /nfs/dbraw/zinc/45/63/69/823456369.db2.gz YXKSOSUVNAWEGL-UHFFFAOYSA-N -1 1 263.749 3.347 20 0 CGADMM COc1nc(C)cc(-c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001243608052 823465811 /nfs/dbraw/zinc/46/58/11/823465811.db2.gz GCUXAWODXIKULR-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM COc1cc(-c2ccc(C(F)(F)F)cc2[O-])nc(C)n1 ZINC001243609430 823466142 /nfs/dbraw/zinc/46/61/42/823466142.db2.gz SNMHPJDFHBFBHF-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM CC(=O)Nc1cccnc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243611701 823467139 /nfs/dbraw/zinc/46/71/39/823467139.db2.gz NGSJDQJRGHYGBY-UHFFFAOYSA-N -1 1 296.248 3.431 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(C)cc3)ccc2[n-]1 ZINC001239479435 820328468 /nfs/dbraw/zinc/32/84/68/820328468.db2.gz LWIZOLUIVUUPFJ-UHFFFAOYSA-N -1 1 266.300 3.325 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(C)cc3)cc2[n-]1 ZINC001239479435 820328476 /nfs/dbraw/zinc/32/84/76/820328476.db2.gz LWIZOLUIVUUPFJ-UHFFFAOYSA-N -1 1 266.300 3.325 20 0 CGADMM COc1ccc2nc(C)nc(-c3cc(F)ccc3[O-])c2c1 ZINC001240693862 821249240 /nfs/dbraw/zinc/24/92/40/821249240.db2.gz JXWPDIJGCFWNMQ-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM [O-]c1ccc(F)cc1-c1cncc(C(F)(F)F)n1 ZINC001240693603 821249308 /nfs/dbraw/zinc/24/93/08/821249308.db2.gz HBSNABMUZBGHOO-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM [O-]c1ccc(F)cc1-c1ccc2ncc(F)cc2n1 ZINC001240694076 821249445 /nfs/dbraw/zinc/24/94/45/821249445.db2.gz OZTFQTIRDGFMSO-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM C[C@@H]1CCCN(c2cc(-c3cc(F)ccc3[O-])ncn2)C1 ZINC001240695067 821251603 /nfs/dbraw/zinc/25/16/03/821251603.db2.gz AWDVYEPKADXFQT-LLVKDONJSA-N -1 1 287.338 3.225 20 0 CGADMM CC[C@@H](C)Oc1nccnc1-c1ccc([O-])c(F)c1 ZINC001240786491 821326608 /nfs/dbraw/zinc/32/66/08/821326608.db2.gz VRWUAGPQPUEMSG-SECBINFHSA-N -1 1 262.284 3.166 20 0 CGADMM CC(C)COc1cnc(-c2ccc([O-])c(F)c2)cn1 ZINC001240791319 821335124 /nfs/dbraw/zinc/33/51/24/821335124.db2.gz ZTBGXPHIHBVBMA-UHFFFAOYSA-N -1 1 262.284 3.023 20 0 CGADMM CCOc1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241116676 821571308 /nfs/dbraw/zinc/57/13/08/821571308.db2.gz FXMRPZCYPRMWAJ-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM CCOC(=O)c1cnc(-c2c(F)cc([O-])cc2F)c(C)c1 ZINC001241117455 821572067 /nfs/dbraw/zinc/57/20/67/821572067.db2.gz PESWRPQZOOJCNX-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COc1ccc2c(c1)ncnc2-c1c(F)cc([O-])cc1F ZINC001241118572 821574769 /nfs/dbraw/zinc/57/47/69/821574769.db2.gz QIWFXQYEQVDKAO-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM CC(C)c1nccnc1-c1c(F)cc([O-])cc1F ZINC001241120299 821575274 /nfs/dbraw/zinc/57/52/74/821575274.db2.gz ZCBIDVARMORWMH-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(-c3nc[nH]n3)cc2)c(F)c1 ZINC001241120933 821577225 /nfs/dbraw/zinc/57/72/25/821577225.db2.gz TWEODGWQRVCPJG-UHFFFAOYSA-N -1 1 273.242 3.123 20 0 CGADMM COc1ncc(-c2c(F)cc([O-])cc2F)c2cc[nH]c21 ZINC001241122480 821578477 /nfs/dbraw/zinc/57/84/77/821578477.db2.gz PASUBOMZEGZHCN-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM COC(=O)c1cc(F)ccc1-c1c(F)cc([O-])cc1F ZINC001241121672 821578786 /nfs/dbraw/zinc/57/87/86/821578786.db2.gz AOVDVYCUXCXBHX-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM O=c1ccc2ccc(-c3c(F)cc([O-])cc3F)cc2o1 ZINC001241122181 821579205 /nfs/dbraw/zinc/57/92/05/821579205.db2.gz WAMSKNXXWWVQRB-UHFFFAOYSA-N -1 1 274.222 3.444 20 0 CGADMM [O-]c1ccc(F)c(-c2cncc(N3CCCCC3)n2)c1F ZINC001241289546 821706857 /nfs/dbraw/zinc/70/68/57/821706857.db2.gz VJRQFHQCUIYINL-UHFFFAOYSA-N -1 1 291.301 3.118 20 0 CGADMM [O-]c1ccc(F)c(-c2cccc(OC(F)F)n2)c1F ZINC001241291448 821707935 /nfs/dbraw/zinc/70/79/35/821707935.db2.gz LFOHEPVWVYHYDJ-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM [O-]c1ccc(F)c(-c2cc(C3CCC3)ncn2)c1F ZINC001241290927 821708111 /nfs/dbraw/zinc/70/81/11/821708111.db2.gz XLSXIBGEJULKQZ-UHFFFAOYSA-N -1 1 262.259 3.395 20 0 CGADMM COc1ccc2c(c1)ncnc2-c1c(F)ccc([O-])c1F ZINC001241290792 821708452 /nfs/dbraw/zinc/70/84/52/821708452.db2.gz DVMRWCNAGIFTDX-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc(OCC3CCC3)cn2)c1F ZINC001241294149 821712245 /nfs/dbraw/zinc/71/22/45/821712245.db2.gz LUVJVGCKWHUZOT-UHFFFAOYSA-N -1 1 292.285 3.306 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1cnc2cccnc2n1 ZINC001242131330 822888546 /nfs/dbraw/zinc/88/85/46/822888546.db2.gz HOLCJCUUKQPJEI-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM Cn1ccc2ncnc(-c3cc(C(F)(F)F)ccc3[O-])c21 ZINC001242131083 822888676 /nfs/dbraw/zinc/88/86/76/822888676.db2.gz AKZOPXVKEUWUJE-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM [O-]c1ccc(-c2nccc3nc[nH]c32)cc1C(F)(F)F ZINC001242148121 822893783 /nfs/dbraw/zinc/89/37/83/822893783.db2.gz OXRREBZMTXZFGK-UHFFFAOYSA-N -1 1 279.221 3.349 20 0 CGADMM [O-]c1ccc(-c2cc3cncnc3cn2)cc1C(F)(F)F ZINC001242150957 822895234 /nfs/dbraw/zinc/89/52/34/822895234.db2.gz BBNGQEACEOJGTK-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM [O-]c1ccc(-c2ncc3ncsc3n2)cc1C(F)(F)F ZINC001242152372 822895716 /nfs/dbraw/zinc/89/57/16/822895716.db2.gz DRRHWZUQZKZBHK-UHFFFAOYSA-N -1 1 297.261 3.478 20 0 CGADMM COC(=O)c1c(F)cccc1-c1ccc(F)cc1[O-] ZINC001242219415 822915867 /nfs/dbraw/zinc/91/58/67/822915867.db2.gz SDPAVSZQLOUOSM-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM CC(C)COc1ncc(-c2ccc(F)cc2[O-])cn1 ZINC001242220007 822916294 /nfs/dbraw/zinc/91/62/94/822916294.db2.gz YUSJQLMKMYQKMF-UHFFFAOYSA-N -1 1 262.284 3.023 20 0 CGADMM CCOC(=O)c1c(OC)cccc1-c1ccc(F)cc1[O-] ZINC001242220813 822916653 /nfs/dbraw/zinc/91/66/53/822916653.db2.gz BLMNTBZNAQOIRB-UHFFFAOYSA-N -1 1 290.290 3.384 20 0 CGADMM Cc1cccc(-c2nc(N(C)C)cc(C(F)(F)F)n2)c1[O-] ZINC001242345434 822958395 /nfs/dbraw/zinc/95/83/95/822958395.db2.gz QEVPZNYFJDLJNJ-UHFFFAOYSA-N -1 1 297.280 3.242 20 0 CGADMM COc1cc(F)c(-c2cccc(F)c2[O-])c(OC)c1 ZINC001242351493 822961028 /nfs/dbraw/zinc/96/10/28/822961028.db2.gz WVZNXZCWWYUOOJ-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3cccc(C)c3O)cc2[n-]1 ZINC001242348930 822959847 /nfs/dbraw/zinc/95/98/47/822959847.db2.gz ZYYQFHQOVQFFOF-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM CCOC(=O)c1nc2cc(-c3cccc(C)c3O)ccc2[n-]1 ZINC001242348930 822959848 /nfs/dbraw/zinc/95/98/48/822959848.db2.gz ZYYQFHQOVQFFOF-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM COC(=O)c1c(C)cc(F)cc1-c1cccc(F)c1[O-] ZINC001242352493 822962517 /nfs/dbraw/zinc/96/25/17/822962517.db2.gz VTHQSJHVDSRJJQ-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM [O-]c1c(Cl)cccc1-c1ccc(Cn2cncn2)cc1 ZINC001242365163 822968046 /nfs/dbraw/zinc/96/80/46/822968046.db2.gz YTMYMVINWSEJPZ-UHFFFAOYSA-N -1 1 285.734 3.352 20 0 CGADMM Cc1cn2cc(-c3cccc(Cl)c3[O-])cnc2n1 ZINC001242364481 822968331 /nfs/dbraw/zinc/96/83/31/822968331.db2.gz KHIJIVBVLOCOMW-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM CN1CCc2cc(-c3cccc(Cl)c3[O-])ccc2C1=O ZINC001242365368 822968705 /nfs/dbraw/zinc/96/87/05/822968705.db2.gz BEIJKTGRMRPZON-UHFFFAOYSA-N -1 1 287.746 3.341 20 0 CGADMM CNC(=O)Cc1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001242367216 822969330 /nfs/dbraw/zinc/96/93/30/822969330.db2.gz ZFIIVTGLWXKYRD-UHFFFAOYSA-N -1 1 275.735 3.001 20 0 CGADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001338360792 936319590 /nfs/dbraw/zinc/31/95/90/936319590.db2.gz BQYYJHYZNKCSMC-QWRGUYRKSA-N -1 1 285.343 3.264 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1nc(C2CC2)cs1 ZINC001347091751 936869681 /nfs/dbraw/zinc/86/96/81/936869681.db2.gz VUGSLISUZZKYRN-UHFFFAOYSA-N -1 1 277.349 3.132 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cnoc2C(C)C)c1 ZINC001353789125 937076939 /nfs/dbraw/zinc/07/69/39/937076939.db2.gz NBSMXUKIJPJIDA-UHFFFAOYSA-N -1 1 292.360 3.478 20 0 CGADMM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1c[n-][nH]c1=O ZINC001364150024 937232538 /nfs/dbraw/zinc/23/25/38/937232538.db2.gz QJCSKHXJJQQQGZ-WDEREUQCSA-N -1 1 285.347 3.043 20 0 CGADMM CCC[C@@H](CC)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001418712469 937246163 /nfs/dbraw/zinc/24/61/63/937246163.db2.gz CFMKDYDVKUGORO-GFCCVEGCSA-N -1 1 287.363 3.343 20 0 CGADMM CC(C)(NC(=O)c1cccc([O-])c1F)c1cccc(F)c1 ZINC001443993711 937349400 /nfs/dbraw/zinc/34/94/00/937349400.db2.gz OOENCKNIPHRRGF-UHFFFAOYSA-N -1 1 291.297 3.336 20 0 CGADMM CCc1ccccc1CNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001444488970 937352935 /nfs/dbraw/zinc/35/29/35/937352935.db2.gz NEXSPEFXULOVBJ-UHFFFAOYSA-N -1 1 297.354 3.006 20 0 CGADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC[C@H](C2CC2)C1 ZINC001446270812 937362497 /nfs/dbraw/zinc/36/24/97/937362497.db2.gz AUKUECCKXVICIY-NSHDSACASA-N -1 1 299.292 3.283 20 0 CGADMM Cc1cccc([C@H](C)NC(=O)c2ccc([O-])c(F)c2)c1 ZINC001446700834 937363996 /nfs/dbraw/zinc/36/39/96/937363996.db2.gz LPYQNUPDSRUMKM-NSHDSACASA-N -1 1 273.307 3.331 20 0 CGADMM Cc1cnc(C(=O)NCC2(C)CCCCCC2)c([O-])c1 ZINC001446873482 937365428 /nfs/dbraw/zinc/36/54/28/937365428.db2.gz XVNDNDLUFJXTTQ-UHFFFAOYSA-N -1 1 276.380 3.186 20 0 CGADMM Cc1cc(C)n2ccc(C(=O)Nc3c([O-])cccc3F)c2n1 ZINC001453006760 937399798 /nfs/dbraw/zinc/39/97/98/937399798.db2.gz APOBDYODETZCIO-UHFFFAOYSA-N -1 1 299.305 3.048 20 0 CGADMM CC[C@@H]1CCCC[C@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001453029698 937400742 /nfs/dbraw/zinc/40/07/42/937400742.db2.gz HOYNARSLIROKKA-BXUZGUMPSA-N -1 1 265.328 3.452 20 0 CGADMM CC(=O)c1c(C)cc(NC(=O)c2ccc(O)cc2[O-])cc1C ZINC001455284149 937416475 /nfs/dbraw/zinc/41/64/75/937416475.db2.gz JZSWGUZINKWVSD-UHFFFAOYSA-N -1 1 299.326 3.170 20 0 CGADMM COC(C)(C)C[C@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229130659 932101562 /nfs/dbraw/zinc/10/15/62/932101562.db2.gz BENKWSMCAOBCMP-JTQLQIEISA-N -1 1 292.331 3.081 20 0 CGADMM C[C@H](Oc1cc([O-])cc2oc(=O)ccc12)c1cccnc1 ZINC001229130003 932101610 /nfs/dbraw/zinc/10/16/10/932101610.db2.gz STSCDQLQSIASQR-JTQLQIEISA-N -1 1 283.283 3.034 20 0 CGADMM C[C@H](Oc1cc([O-])cc2oc(=O)ccc12)C1CCC1 ZINC001229129072 932101870 /nfs/dbraw/zinc/10/18/70/932101870.db2.gz IJIXHUHIXKZZMJ-VIFPVBQESA-N -1 1 260.289 3.066 20 0 CGADMM COc1cc2ccc(=O)oc2c(O[C@@H](C)CC(C)C)c1[O-] ZINC001229219423 932118114 /nfs/dbraw/zinc/11/81/14/932118114.db2.gz UNQMGTLXXLZAEI-JTQLQIEISA-N -1 1 292.331 3.321 20 0 CGADMM [O-]c1cc(O[C@H]2CCOC[C@H]2F)c(Cl)cc1Cl ZINC001229406443 932146514 /nfs/dbraw/zinc/14/65/14/932146514.db2.gz VIJWZLGNPNDYBQ-SCZZXKLOSA-N -1 1 281.110 3.205 20 0 CGADMM COc1ccc2nc(O[C@@H](C)C3=CC=C[CH]3)[nH]c2c1 ZINC001229731645 932476786 /nfs/dbraw/zinc/47/67/86/932476786.db2.gz XDBWYZLIHUCLDA-JTQLQIEISA-N -1 1 255.297 3.039 20 0 CGADMM COc1c(=O)[n-]c(C)nc1O[C@@H](C)CCC=C(C)C ZINC001230021714 932523784 /nfs/dbraw/zinc/52/37/84/932523784.db2.gz OOJDBPVTAXHWMQ-JTQLQIEISA-N -1 1 266.341 3.013 20 0 CGADMM CCOC[C@H](C)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231044700 932664773 /nfs/dbraw/zinc/66/47/73/932664773.db2.gz NYFQDMOKBDJTPI-LURJTMIESA-N -1 1 290.150 3.069 20 0 CGADMM Cc1oc(C=O)cc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001304281595 932848350 /nfs/dbraw/zinc/84/83/50/932848350.db2.gz GYUWOJIXZXFKEF-UHFFFAOYSA-N -1 1 297.669 3.151 20 0 CGADMM CC(C)(C)c1ccc(NC(=O)c2ccc([O-])c(F)c2)cn1 ZINC001304633132 932852071 /nfs/dbraw/zinc/85/20/71/932852071.db2.gz MFNDSIYYUCXGBD-UHFFFAOYSA-N -1 1 288.322 3.476 20 0 CGADMM [O-]c1ccc(CNCc2nc3ccccc3o2)c(F)c1F ZINC001462603751 937652911 /nfs/dbraw/zinc/65/29/11/937652911.db2.gz KLZCXZAQBWYLMG-UHFFFAOYSA-N -1 1 290.269 3.101 20 0 CGADMM CC[C@@H]1CO[C@@H](CC)CN1Cc1ccc([O-])c(F)c1F ZINC001308851938 933190757 /nfs/dbraw/zinc/19/07/57/933190757.db2.gz OBLDAEBBFBNYJR-NEPJUHHUSA-N -1 1 285.334 3.060 20 0 CGADMM O=C(NCc1cccc(Cl)c1)c1cccc([O-])c1F ZINC001463822185 937681522 /nfs/dbraw/zinc/68/15/22/937681522.db2.gz NDOGOLUSLVEBRF-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@@H]1C ZINC001465401936 937700344 /nfs/dbraw/zinc/70/03/44/937700344.db2.gz VWVSKAXUGFQCBC-IUCAKERBSA-N -1 1 287.281 3.139 20 0 CGADMM C[C@@H](NC(=O)c1cccc([O-])c1F)[C@@H](C)c1ccccc1 ZINC001465598137 937701906 /nfs/dbraw/zinc/70/19/06/937701906.db2.gz KASJXWVZVBVUNW-VXGBXAGGSA-N -1 1 287.334 3.453 20 0 CGADMM CCCCCN(CCCOC)C(=O)c1ccc(F)c([O-])c1 ZINC001466802235 937712500 /nfs/dbraw/zinc/71/25/00/937712500.db2.gz MLGBHOXBUDZOBH-UHFFFAOYSA-N -1 1 297.370 3.200 20 0 CGADMM O=C(NCCCc1ccccc1F)c1cccc([O-])c1F ZINC001467718832 937721476 /nfs/dbraw/zinc/72/14/76/937721476.db2.gz NTCYTADONOEQTB-UHFFFAOYSA-N -1 1 291.297 3.033 20 0 CGADMM O=C(Nc1ccccc1NC1CCC1)c1ccc(O)cc1[O-] ZINC001469787408 937743805 /nfs/dbraw/zinc/74/38/05/937743805.db2.gz UESNLWKWNGQHCJ-UHFFFAOYSA-N -1 1 298.342 3.315 20 0 CGADMM Cc1cc(C)cc(CNC(=O)c2cccc([O-])c2F)c1 ZINC001470421906 937752767 /nfs/dbraw/zinc/75/27/67/937752767.db2.gz LMKRDLNUEZSNRM-UHFFFAOYSA-N -1 1 273.307 3.078 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1scnc1C1CC1 ZINC001471168187 937762159 /nfs/dbraw/zinc/76/21/59/937762159.db2.gz NBPNYAIFOLMMMU-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM O=C(c1cccc([O-])c1F)N(CCc1ccccc1)C1CC1 ZINC001472017138 937771719 /nfs/dbraw/zinc/77/17/19/937771719.db2.gz RKJZETJHDMHWAZ-UHFFFAOYSA-N -1 1 299.345 3.379 20 0 CGADMM C[C@H]1Cc2cc(NC(=O)c3ccc(F)c([O-])c3)ccc2O1 ZINC001472164537 937773374 /nfs/dbraw/zinc/77/33/74/937773374.db2.gz OZWZYZKCXMUYSP-VIFPVBQESA-N -1 1 287.290 3.107 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cccc(O)c1F ZINC001472194561 937773581 /nfs/dbraw/zinc/77/35/81/937773581.db2.gz PWJFPTZMUXODQS-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM O=C(CCc1ccco1)Nc1cc(F)c([O-])cc1Cl ZINC001472193012 937773596 /nfs/dbraw/zinc/77/35/96/937773596.db2.gz HPQZOIPKQNIASG-UHFFFAOYSA-N -1 1 283.686 3.349 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2c(F)cncc2F)n1 ZINC001472925794 937788996 /nfs/dbraw/zinc/78/89/96/937788996.db2.gz ZNGBNDAGLNOLKT-UHFFFAOYSA-N -1 1 297.330 3.100 20 0 CGADMM C[C@@H](CCC[C@H](C)C(=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC001334827955 936117665 /nfs/dbraw/zinc/11/76/65/936117665.db2.gz NHJZVKMTHNTBQR-RYUDHWBXSA-N -1 1 296.411 3.341 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCC[C@@H](F)C1 ZINC001335017386 936125805 /nfs/dbraw/zinc/12/58/05/936125805.db2.gz IWIRZYGCMIMKMW-HTQZYQBOSA-N -1 1 273.254 3.137 20 0 CGADMM CCOc1nc(C(=O)[N-]c2cscc2Cl)co1 ZINC001533985431 938093671 /nfs/dbraw/zinc/09/36/71/938093671.db2.gz PFEVHXAYEFKCMO-UHFFFAOYSA-N -1 1 272.713 3.041 20 0 CGADMM Cc1ccc(NC(=O)c2ccc([O-])cn2)c(Cl)c1 ZINC001538776320 938120653 /nfs/dbraw/zinc/12/06/53/938120653.db2.gz ZPCKOAMXSMUVGE-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cccc(C)n2)c1 ZINC001542065412 938135114 /nfs/dbraw/zinc/13/51/14/938135114.db2.gz PZDBWLQHERIYEY-UHFFFAOYSA-N -1 1 274.345 3.070 20 0 CGADMM Cc1cc([C@H](C)NC(=O)c2ccc(F)c([O-])c2)c(C)o1 ZINC001542467872 938135957 /nfs/dbraw/zinc/13/59/57/938135957.db2.gz ANCYZSUZIGIVKB-VIFPVBQESA-N -1 1 277.295 3.232 20 0 CGADMM Cc1cc([C@@H](C)NC(=O)c2ccc(F)c([O-])c2)c(C)o1 ZINC001542467871 938135996 /nfs/dbraw/zinc/13/59/96/938135996.db2.gz ANCYZSUZIGIVKB-SECBINFHSA-N -1 1 277.295 3.232 20 0 CGADMM CC(C)C(NC(=O)c1ccc(Cl)cc1[O-])C(C)C ZINC001545609914 938150126 /nfs/dbraw/zinc/15/01/26/938150126.db2.gz BCQMLRMICZMPLO-UHFFFAOYSA-N -1 1 269.772 3.456 20 0 CGADMM CC[C@@H]1CC[C@H](C)N(C(=O)c2cccc([O-])c2F)C1 ZINC001556596408 938204632 /nfs/dbraw/zinc/20/46/32/938204632.db2.gz KNZOPWXLXDLCLD-WDEREUQCSA-N -1 1 265.328 3.182 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1cc(F)c(F)cc1F ZINC001557347993 938209529 /nfs/dbraw/zinc/20/95/29/938209529.db2.gz XVRCAVKYJQMARH-UHFFFAOYSA-N -1 1 298.289 3.473 20 0 CGADMM COc1cncc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC001557864635 938212195 /nfs/dbraw/zinc/21/21/95/938212195.db2.gz JNAHLDMSFQSFEI-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM Cc1cccnc1[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC001558782698 938217808 /nfs/dbraw/zinc/21/78/08/938217808.db2.gz VOJPNYKXLHTFIN-SNVBAGLBSA-N -1 1 290.750 3.240 20 0 CGADMM O=C(NC[C@H]1C[C@H]1Cc1ccccc1)c1c([O-])cccc1F ZINC001558808096 938217852 /nfs/dbraw/zinc/21/78/52/938217852.db2.gz CRGZZNRYXDTTRV-ZIAGYGMSSA-N -1 1 299.345 3.140 20 0 CGADMM Cc1cc(F)cc2c1CN(Cc1cccc(C(=O)[O-])c1)CC2 ZINC001600231403 970780081 /nfs/dbraw/zinc/78/00/81/970780081.db2.gz UDEBJBZXQSDGFP-UHFFFAOYSA-N -1 1 299.345 3.391 20 0 CGADMM O=C([O-])CCCSc1nc2ccc(Cl)cc2[nH]1 ZINC000212960521 949534783 /nfs/dbraw/zinc/53/47/83/949534783.db2.gz PPZMHNVHATZKHS-UHFFFAOYSA-N -1 1 270.741 3.173 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN[C@@H](C)c1cccc(O)c1 ZINC000383935009 971902000 /nfs/dbraw/zinc/90/20/00/971902000.db2.gz KIDZEQYMSOTHJO-VIFPVBQESA-N -1 1 291.372 3.311 20 0 CGADMM Cc1ccc(CN2CCc3ccccc3[C@H]2C(=O)[O-])s1 ZINC000086806369 957992924 /nfs/dbraw/zinc/99/29/24/957992924.db2.gz JEHUJAPBPJTWAF-HNNXBMFYSA-N -1 1 287.384 3.241 20 0 CGADMM Cc1ccc([C@H](C)NCc2cc(C(=O)[O-])co2)s1 ZINC000228169305 959999161 /nfs/dbraw/zinc/99/91/61/959999161.db2.gz CZHKQROEUKKOTO-VIFPVBQESA-N -1 1 265.334 3.199 20 0 CGADMM C[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccc(Cl)s1 ZINC000235216968 960398168 /nfs/dbraw/zinc/39/81/68/960398168.db2.gz WNQBCJILWOAYRJ-MRVPVSSYSA-N -1 1 296.779 3.346 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CCCCCCC1 ZINC001593738340 960510540 /nfs/dbraw/zinc/51/05/40/960510540.db2.gz ZSGRINKIEAWWGI-SNVBAGLBSA-N -1 1 268.382 3.168 20 0 CGADMM CC(C)(CNC(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC001565297032 960758156 /nfs/dbraw/zinc/75/81/56/960758156.db2.gz WQNUFYBBUXPBSN-UHFFFAOYSA-N -1 1 296.798 3.281 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H](F)c1ccccc1 ZINC001570465494 961975429 /nfs/dbraw/zinc/97/54/29/961975429.db2.gz BLVWFEPSWQWGKA-GFCCVEGCSA-N -1 1 281.233 3.320 20 0 CGADMM CC[C@@H](C(=O)[O-])N(C)Cc1cc(C(C)(C)C)oc1C ZINC001573768964 962272418 /nfs/dbraw/zinc/27/24/18/962272418.db2.gz XIZZMSUJZGVDMG-LBPRGKRZSA-N -1 1 267.369 3.181 20 0 CGADMM Cc1ccc(CC(=O)Nc2cccc(F)c2[O-])cc1C ZINC001587389325 963191045 /nfs/dbraw/zinc/19/10/45/963191045.db2.gz HKUIQDKHUVBXCP-UHFFFAOYSA-N -1 1 273.307 3.329 20 0 CGADMM CCCN(CC(C)C)C(=O)c1cccc([O-])c1F ZINC001587754152 963218416 /nfs/dbraw/zinc/21/84/16/963218416.db2.gz FMQKUNIKMYRHDL-UHFFFAOYSA-N -1 1 253.317 3.040 20 0 CGADMM CC(C)(C)[C@@H](NCc1oncc1C(=O)[O-])c1ccccc1 ZINC001589719510 964017821 /nfs/dbraw/zinc/01/78/21/964017821.db2.gz IGXKASYIPCEWHV-AWEZNQCLSA-N -1 1 288.347 3.250 20 0 CGADMM CCCc1nc(C)c(CN[C@H](C(=O)[O-])C2CCCCC2)o1 ZINC001596083308 983405031 /nfs/dbraw/zinc/40/50/31/983405031.db2.gz KPKBLKHRBFSESH-HNNXBMFYSA-N -1 1 294.395 3.059 20 0 CGADMM C/C=C/C[C@@H]1CCCN(Cc2ncc(C(=O)[O-])s2)C1 ZINC001594685820 987058155 /nfs/dbraw/zinc/05/81/55/987058155.db2.gz GVOZGDXHYSYBFX-KXMPLOMGSA-N -1 1 280.393 3.020 20 0 CGADMM CCc1ccc(CNc2nc3cccc(C(=O)[O-])c3[nH]2)o1 ZINC001597530324 988184172 /nfs/dbraw/zinc/18/41/72/988184172.db2.gz XSOUJRCTIHFDBB-UHFFFAOYSA-N -1 1 285.303 3.029 20 0 CGADMM C[C@@H](N[C@@H]1C=CCCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593210601 994251026 /nfs/dbraw/zinc/25/10/26/994251026.db2.gz QMOABVNEMMJFJF-GHMZBOCLSA-N -1 1 280.393 3.381 20 0 CGADMM C[C@H](N[C@@H]1CCCc2occc21)c1cncc(C(=O)[O-])c1 ZINC001593219399 994299532 /nfs/dbraw/zinc/29/95/32/994299532.db2.gz NYMILYLQBDUOJM-IINYFYTJSA-N -1 1 286.331 3.101 20 0 CGADMM C[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccc[nH]1 ZINC001593287823 994649547 /nfs/dbraw/zinc/64/95/47/994649547.db2.gz AELIAWXKAUPOPS-VIFPVBQESA-N -1 1 278.739 3.217 20 0 CGADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCC[C@H](C(C)(C)C)C1 ZINC001593724333 996265611 /nfs/dbraw/zinc/26/56/11/996265611.db2.gz FIBLGGVVUZGILQ-MNOVXSKESA-N -1 1 280.368 3.192 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](C)C2(CCC2)C1 ZINC001593731706 996304670 /nfs/dbraw/zinc/30/46/70/996304670.db2.gz HYAKKVLNAGXPLS-GHMZBOCLSA-N -1 1 294.420 3.414 20 0 CGADMM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1csc(C(=O)[O-])c1 ZINC001594177377 998688320 /nfs/dbraw/zinc/68/83/20/998688320.db2.gz XASIBNJCDJEJJC-IONNQARKSA-N -1 1 293.310 3.219 20 0 CGADMM COc1cc(C(=O)N(C)C[C@@H]2CC2(C)C)cc(Cl)c1[O-] ZINC000621055557 349455581 /nfs/dbraw/zinc/45/55/81/349455581.db2.gz YKPIJQLGZXTEOS-JTQLQIEISA-N -1 1 297.782 3.172 20 0 CGADMM CN(Cc1ccoc1)Cc1cccc([O-])c1Cl ZINC000350662254 219044693 /nfs/dbraw/zinc/04/46/93/219044693.db2.gz SSGCZKJEANJNOT-UHFFFAOYSA-N -1 1 251.713 3.271 20 0 CGADMM CCC1(C(=O)Nc2cc(C(=O)OC)ccc2[O-])CCCC1 ZINC000337590398 214172195 /nfs/dbraw/zinc/17/21/95/214172195.db2.gz WTMUMOYEYWVOIN-UHFFFAOYSA-N -1 1 291.347 3.088 20 0 CGADMM Cc1nc(SCc2cncc(Cl)c2)[n-]c(=O)c1C ZINC000621994967 349619332 /nfs/dbraw/zinc/61/93/32/349619332.db2.gz OTTQJSJZIMUSHS-UHFFFAOYSA-N -1 1 281.768 3.140 20 0 CGADMM CC(C)(CNC(=O)c1c([O-])cccc1F)C1CCCC1 ZINC000622461403 349680868 /nfs/dbraw/zinc/68/08/68/349680868.db2.gz RFRGFBLUBIMPRY-UHFFFAOYSA-N -1 1 279.355 3.478 20 0 CGADMM CCc1ccc(C(=O)Nc2ccc(SC)cn2)c([O-])c1 ZINC000436835018 529609753 /nfs/dbraw/zinc/60/97/53/529609753.db2.gz SHWZVDZFQSFMRO-UHFFFAOYSA-N -1 1 288.372 3.324 20 0 CGADMM CCc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174658079 529601437 /nfs/dbraw/zinc/60/14/37/529601437.db2.gz GFQMNTCNPRHQFQ-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM CC(C)(C)c1nc(CN2CCC[C@](C)(C(=O)[O-])C2)cs1 ZINC000062876236 345240713 /nfs/dbraw/zinc/24/07/13/345240713.db2.gz VWXGREQJVGLYRT-HNNXBMFYSA-N -1 1 296.436 3.127 20 0 CGADMM Cc1noc(C)c1[N-]C(=O)c1coc(-c2ccccc2)n1 ZINC000078090766 345591738 /nfs/dbraw/zinc/59/17/38/345591738.db2.gz ODYSTYWUZUFBGF-UHFFFAOYSA-N -1 1 283.287 3.199 20 0 CGADMM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccc(F)cc1 ZINC000091780922 345823290 /nfs/dbraw/zinc/82/32/90/345823290.db2.gz SMTVPNZVPZKMQA-SNVBAGLBSA-N -1 1 277.295 3.310 20 0 CGADMM CN(Cc1cccn1C)Cc1cccc([O-])c1Cl ZINC000351642805 219160102 /nfs/dbraw/zinc/16/01/02/219160102.db2.gz YCOBTUMWGMNYLN-UHFFFAOYSA-N -1 1 264.756 3.016 20 0 CGADMM COc1c(Cl)cccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094039863 345894342 /nfs/dbraw/zinc/89/43/42/345894342.db2.gz JJRGJXXJXVJYNJ-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM C[C@@H](c1ccc(F)cc1F)N1CCC(CC(=O)[O-])CC1 ZINC000093682173 345883509 /nfs/dbraw/zinc/88/35/09/345883509.db2.gz XELKRGWDQCFMLZ-JTQLQIEISA-N -1 1 283.318 3.213 20 0 CGADMM Cc1cn(-c2ccccc2)nc1NC(=O)c1ccccc1[O-] ZINC000106715556 345932385 /nfs/dbraw/zinc/93/23/85/345932385.db2.gz BQGZUFAWKLYFAB-UHFFFAOYSA-N -1 1 293.326 3.139 20 0 CGADMM CSCc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000109232767 345941164 /nfs/dbraw/zinc/94/11/64/345941164.db2.gz YYOGWJNLUYIAIL-UHFFFAOYSA-N -1 1 289.356 3.213 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc([O-])cc2F)[C@H]2CCCC[C@H]12 ZINC000123720714 290772580 /nfs/dbraw/zinc/77/25/80/290772580.db2.gz KIUBFCZMSDCPMX-NVBFEUDRSA-N -1 1 277.339 3.182 20 0 CGADMM Cc1nc2ccc(NC(=O)c3ccc([O-])cc3F)cc2o1 ZINC000181106235 232410217 /nfs/dbraw/zinc/41/02/17/232410217.db2.gz XMMIZCGWVLIXDH-UHFFFAOYSA-N -1 1 286.262 3.233 20 0 CGADMM Cc1ccc([C@H](NCc2ccccc2F)C(=O)[O-])cc1 ZINC000212214276 346286011 /nfs/dbraw/zinc/28/60/11/346286011.db2.gz OCIKOPMCKBYRFE-HNNXBMFYSA-N -1 1 273.307 3.050 20 0 CGADMM C[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229303318 346316994 /nfs/dbraw/zinc/31/69/94/346316994.db2.gz UQMWFEBHXDKVIK-TVQRCGJNSA-N -1 1 285.746 3.164 20 0 CGADMM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)C[C@H](C)S1 ZINC000394456001 346576892 /nfs/dbraw/zinc/57/68/92/346576892.db2.gz JCFJEKBQBLULHM-AOOOYVTPSA-N -1 1 299.823 3.364 20 0 CGADMM CS[C@H](C)CCC(=O)Nc1cccc(F)c1[O-] ZINC000600446823 347800449 /nfs/dbraw/zinc/80/04/49/347800449.db2.gz SRRAWIROEWZICK-MRVPVSSYSA-N -1 1 257.330 3.002 20 0 CGADMM CSC1CCN(Cc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000601962022 347930182 /nfs/dbraw/zinc/93/01/82/347930182.db2.gz BEIGGCHHSYCGSZ-UHFFFAOYSA-N -1 1 299.823 3.366 20 0 CGADMM Cc1ccc(C)c(OCC(=O)Nc2c([O-])cccc2F)c1 ZINC000605436618 348155263 /nfs/dbraw/zinc/15/52/63/348155263.db2.gz LAIMWFWKNCXCSR-UHFFFAOYSA-N -1 1 289.306 3.166 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CSc2ccccc21 ZINC000608365773 348301273 /nfs/dbraw/zinc/30/12/73/348301273.db2.gz JGQMRKFIVYKPSR-SNVBAGLBSA-N -1 1 289.331 3.359 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N(CC1CC1)C1CCC1 ZINC000614308340 348666857 /nfs/dbraw/zinc/66/68/57/348666857.db2.gz JEDLSTFSEBXAPV-UHFFFAOYSA-N -1 1 296.370 3.345 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@H](C2CCC2)C1 ZINC000616326747 348810179 /nfs/dbraw/zinc/81/01/79/348810179.db2.gz MJNGCHMRQUVUHO-AWEZNQCLSA-N -1 1 296.370 3.203 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c([O-])c1 ZINC000358897252 233211901 /nfs/dbraw/zinc/21/19/01/233211901.db2.gz CSIYYKVDIWLTOS-LLVKDONJSA-N -1 1 288.322 3.068 20 0 CGADMM Cc1ccc(CC2CN(C(=O)c3ccc([O-])cc3F)C2)cc1 ZINC000618889647 349176395 /nfs/dbraw/zinc/17/63/95/349176395.db2.gz PUQKXFDVXYTESJ-UHFFFAOYSA-N -1 1 299.345 3.154 20 0 CGADMM Cc1occc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000618833262 349159254 /nfs/dbraw/zinc/15/92/54/349159254.db2.gz ORWNWCTXLKBVJH-UHFFFAOYSA-N -1 1 281.311 3.377 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@H](C2CCC2)C1 ZINC000620203880 349337447 /nfs/dbraw/zinc/33/74/47/349337447.db2.gz DLKXWVOYTZCCTA-LLVKDONJSA-N -1 1 295.329 3.323 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@H](C2CCC2)C1 ZINC000620203881 349337661 /nfs/dbraw/zinc/33/76/61/349337661.db2.gz DLKXWVOYTZCCTA-NSHDSACASA-N -1 1 295.329 3.323 20 0 CGADMM CCOc1cc(C(=O)N[C@@]2(C)CC2(C)C)cc(Cl)c1[O-] ZINC000620084280 349324216 /nfs/dbraw/zinc/32/42/16/349324216.db2.gz YIGLSDRAQOAXPX-HNNXBMFYSA-N -1 1 297.782 3.363 20 0 CGADMM CCO[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CC1 ZINC000624577180 350066907 /nfs/dbraw/zinc/06/69/07/350066907.db2.gz OCOIIPZUJJSPDH-LBPRGKRZSA-N -1 1 278.283 3.069 20 0 CGADMM CC1(CCNC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000352125431 219329730 /nfs/dbraw/zinc/32/97/30/219329730.db2.gz HESKPTKDJKTEFJ-UHFFFAOYSA-N -1 1 298.180 3.075 20 0 CGADMM CC(C)C[C@@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378193 350684017 /nfs/dbraw/zinc/68/40/17/350684017.db2.gz PRGMITQSLJIAOD-GFCCVEGCSA-N -1 1 287.363 3.199 20 0 CGADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378472 350684086 /nfs/dbraw/zinc/68/40/86/350684086.db2.gz XNSYJBKLEWKSPZ-VXGBXAGGSA-N -1 1 287.363 3.199 20 0 CGADMM C/C=C/C[C@@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000629873622 350781517 /nfs/dbraw/zinc/78/15/17/350781517.db2.gz QKFNDQKPMDJREF-QAVQXKDTSA-N -1 1 277.339 3.350 20 0 CGADMM C[C@H](c1ccco1)N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630705950 350875823 /nfs/dbraw/zinc/87/58/23/350875823.db2.gz RLCWMOGNZVWLQR-SNVBAGLBSA-N -1 1 293.750 3.401 20 0 CGADMM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632039308 351161391 /nfs/dbraw/zinc/16/13/91/351161391.db2.gz ZWRPOBSUJBGJAR-RKDXNWHRSA-N -1 1 295.351 3.320 20 0 CGADMM CC(C)C[C@H](C)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632058726 351162787 /nfs/dbraw/zinc/16/27/87/351162787.db2.gz PNDUFBSFNLLEDI-JTQLQIEISA-N -1 1 269.772 3.139 20 0 CGADMM C[C@H]1C[C@H]1c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000632079144 351165968 /nfs/dbraw/zinc/16/59/68/351165968.db2.gz KHZLUWNFRDJPPJ-IONNQARKSA-N -1 1 264.712 3.143 20 0 CGADMM CCc1noc(C)c1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632108929 351168140 /nfs/dbraw/zinc/16/81/40/351168140.db2.gz XIBXGCSRXSIIHB-UHFFFAOYSA-N -1 1 294.738 3.086 20 0 CGADMM CC(C)(C(=O)Nc1ccc([O-])c(F)c1F)[C@@H]1CCCCO1 ZINC000633360244 351284954 /nfs/dbraw/zinc/28/49/54/351284954.db2.gz BKIQVFYTXKQNAL-NSHDSACASA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CCCC12CC2 ZINC000633782422 351370602 /nfs/dbraw/zinc/37/06/02/351370602.db2.gz NZAAJYDXQHDSPX-ZDUSSCGKSA-N -1 1 279.767 3.037 20 0 CGADMM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C1CC1 ZINC000634585587 351525404 /nfs/dbraw/zinc/52/54/04/351525404.db2.gz KUMLVYKISMCJQA-LBPRGKRZSA-N -1 1 271.345 3.045 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3cccc(C(F)(F)F)c3)c(=O)c21 ZINC000634593328 351530190 /nfs/dbraw/zinc/53/01/90/351530190.db2.gz LRFPRXRXCOQPBC-QPUJVOFHSA-N -1 1 282.265 3.454 20 0 CGADMM CC(C)c1c(Cc2ccccc2)[n-]n(C(C)C)c1=O ZINC000634594865 351530862 /nfs/dbraw/zinc/53/08/62/351530862.db2.gz JERKFGCPXCILHL-OAHLLOKOSA-N -1 1 258.365 3.108 20 0 CGADMM CCc1cc(Br)ccc1-n1[n-]c(C)cc1=O ZINC000634614687 351543133 /nfs/dbraw/zinc/54/31/33/351543133.db2.gz JVDRNNABFPYUKK-UHFFFAOYSA-N -1 1 281.153 3.124 20 0 CGADMM C[C@H](n1[n-]c2c(c1=O)CCCCCC2)C(F)(F)F ZINC000634630917 351553103 /nfs/dbraw/zinc/55/31/03/351553103.db2.gz HIOFLWDRKINFLH-DTWKUNHWSA-N -1 1 262.275 3.106 20 0 CGADMM CCc1c(C)[n-]n([C@H]2CCc3c2cccc3F)c1=O ZINC000634632597 351554008 /nfs/dbraw/zinc/55/40/08/351554008.db2.gz VFHPDZSUMNCJHO-YGRLFVJLSA-N -1 1 260.312 3.057 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1cccc(F)c1 ZINC000292332606 198247605 /nfs/dbraw/zinc/24/76/05/198247605.db2.gz WNDVHXORPZHPOJ-MNOVXSKESA-N -1 1 253.317 3.023 20 0 CGADMM Cc1[nH]c2ccc(C(=O)Nc3ccncc3[O-])cc2c1C ZINC000109889749 138362013 /nfs/dbraw/zinc/36/20/13/138362013.db2.gz LXDBMZGCQWQBRE-UHFFFAOYSA-N -1 1 281.315 3.138 20 0 CGADMM CS[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000294401758 199026923 /nfs/dbraw/zinc/02/69/23/199026923.db2.gz LKGNSKUUJUQDEF-LBPRGKRZSA-N -1 1 287.384 3.123 20 0 CGADMM O=C([O-])CC[C@@H]1CCCCN1Cc1csc(C2CC2)n1 ZINC000424251725 236137018 /nfs/dbraw/zinc/13/70/18/236137018.db2.gz CQAHOLCFGBSIPX-ZDUSSCGKSA-N -1 1 294.420 3.240 20 0 CGADMM Cc1ccc(CC[C@@H](C)NC(=O)c2c([O-])cccc2F)o1 ZINC000436519886 237121008 /nfs/dbraw/zinc/12/10/08/237121008.db2.gz ZGEHNNYZVBQXAS-SNVBAGLBSA-N -1 1 291.322 3.184 20 0 CGADMM O=C(NCC1(C(F)(F)F)CC1)c1ccc(Cl)cc1[O-] ZINC000436655933 237153432 /nfs/dbraw/zinc/15/34/32/237153432.db2.gz FCBDKNJUGFCANX-UHFFFAOYSA-N -1 1 293.672 3.118 20 0 CGADMM O=C(Nc1nc(-c2ccccc2)co1)c1ccccc1[O-] ZINC000436535062 237124972 /nfs/dbraw/zinc/12/49/72/237124972.db2.gz MQSQVHNPVFNFKB-UHFFFAOYSA-N -1 1 280.283 3.300 20 0 CGADMM Cn1ncc(NC(=O)c2ccccc2[O-])c1-c1ccccc1 ZINC000436806829 237186907 /nfs/dbraw/zinc/18/69/07/237186907.db2.gz WKBGVBVLQSKESB-UHFFFAOYSA-N -1 1 293.326 3.045 20 0 CGADMM O=C(NCCC1(F)CCC1)c1cc(Cl)ccc1[O-] ZINC000436736153 237169753 /nfs/dbraw/zinc/16/97/53/237169753.db2.gz NHAJKCPIQHWZQC-UHFFFAOYSA-N -1 1 271.719 3.058 20 0 CGADMM Cc1nn(C)c(C)c1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436757924 237174963 /nfs/dbraw/zinc/17/49/63/237174963.db2.gz WOLQDRNEAOTCEA-UHFFFAOYSA-N -1 1 295.342 3.148 20 0 CGADMM O=C(NCCCOC1CCCCC1)c1ccc([O-])cc1F ZINC000181073391 189287651 /nfs/dbraw/zinc/28/76/51/189287651.db2.gz AONVCRKJEZRGIJ-UHFFFAOYSA-N -1 1 295.354 3.001 20 0 CGADMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC000451104949 240218401 /nfs/dbraw/zinc/21/84/01/240218401.db2.gz BJEHXAWJXUXDOV-YUMQZZPRSA-N -1 1 281.830 3.114 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H]2CCC[C@H](C)CC2)s[n-]1 ZINC000336787550 294344656 /nfs/dbraw/zinc/34/46/56/294344656.db2.gz MDYCFNSSSFSVQC-AXFHLTTASA-N -1 1 269.414 3.048 20 0 CGADMM O=C([N-][C@@H]1CCC[C@H]1Cc1ccccc1)C(F)(F)F ZINC000265678395 284034647 /nfs/dbraw/zinc/03/46/47/284034647.db2.gz IVMMCFOXRBHSNW-NWDGAFQWSA-N -1 1 271.282 3.076 20 0 CGADMM O=C(Nc1cccc(Cl)c1)c1ccc(O)cc1[O-] ZINC000013589762 368659030 /nfs/dbraw/zinc/65/90/30/368659030.db2.gz POTCELSGOKUOCH-UHFFFAOYSA-N -1 1 263.680 3.004 20 0 CGADMM CN(C(=O)c1cc(Cl)ccc1[O-])C1CCCCC1 ZINC000019839346 368769768 /nfs/dbraw/zinc/76/97/68/368769768.db2.gz WADLTXGPIVJTPF-UHFFFAOYSA-N -1 1 267.756 3.450 20 0 CGADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000031722709 368917512 /nfs/dbraw/zinc/91/75/12/368917512.db2.gz IKNQOWLKFXPIOE-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM O=C(COc1ccsc1)Nc1ccc([O-])c(Cl)c1 ZINC000337288973 376195453 /nfs/dbraw/zinc/19/54/53/376195453.db2.gz JBHCVRMDJDOQLN-UHFFFAOYSA-N -1 1 283.736 3.125 20 0 CGADMM C[C@@H]1CCC[C@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000091669689 370074921 /nfs/dbraw/zinc/07/49/21/370074921.db2.gz VIZRVBIFOBVECN-MNOVXSKESA-N -1 1 265.328 3.182 20 0 CGADMM CC[C@H](NC(=O)c1cncc([O-])c1)c1cccc(Cl)c1 ZINC000109042643 370359820 /nfs/dbraw/zinc/35/98/20/370359820.db2.gz FSWSRTUBNNQJCX-AWEZNQCLSA-N -1 1 290.750 3.322 20 0 CGADMM O=C(Nc1cccc(OC2CCCC2)c1)c1cncc([O-])c1 ZINC000109943805 370367748 /nfs/dbraw/zinc/36/77/48/370367748.db2.gz XNQXXYMYIKSSED-UHFFFAOYSA-N -1 1 298.342 3.361 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1ccc(Cl)o1 ZINC000132627184 371187983 /nfs/dbraw/zinc/18/79/83/371187983.db2.gz MULIOURMERDHTO-UHFFFAOYSA-N -1 1 254.673 3.044 20 0 CGADMM COc1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC000132980852 371216442 /nfs/dbraw/zinc/21/64/42/371216442.db2.gz SVGQXRPCHHQBEX-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(Cc2cccc(F)c2)no1 ZINC000132985395 371217942 /nfs/dbraw/zinc/21/79/42/371217942.db2.gz BGJHPULBBXMYAH-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@@H]2c2ccccc2C)c([O-])c1 ZINC000331873097 204249110 /nfs/dbraw/zinc/24/91/10/204249110.db2.gz GXHFHYMIFGKWAA-OAHLLOKOSA-N -1 1 296.370 3.381 20 0 CGADMM Cc1noc(C)c1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289620877 371776100 /nfs/dbraw/zinc/77/61/00/371776100.db2.gz VAWAUQQPKBNMBQ-UHFFFAOYSA-N -1 1 287.291 3.017 20 0 CGADMM COc1cc(C(=O)N(C(C)C)C2CCC2)cc(Cl)c1[O-] ZINC000153872658 371796461 /nfs/dbraw/zinc/79/64/61/371796461.db2.gz GHLZQIUOTKDVIQ-UHFFFAOYSA-N -1 1 297.782 3.457 20 0 CGADMM Cc1ccccc1-c1nc(C[N-]c2nc(C(C)C)no2)no1 ZINC000289764294 371814189 /nfs/dbraw/zinc/81/41/89/371814189.db2.gz VRUBHSQFFXXDOV-UHFFFAOYSA-N -1 1 299.334 3.164 20 0 CGADMM CCC(C)(CC)NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153819212 321728340 /nfs/dbraw/zinc/72/83/40/321728340.db2.gz FOEMBOFYRMESIK-UHFFFAOYSA-N -1 1 285.771 3.363 20 0 CGADMM CCc1noc(CC)c1CNCc1cccc([O-])c1Cl ZINC000293603868 372423032 /nfs/dbraw/zinc/42/30/32/372423032.db2.gz PEQWKHKLMLWRPM-UHFFFAOYSA-N -1 1 294.782 3.448 20 0 CGADMM C[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)[C@H]1C ZINC000293959346 372537418 /nfs/dbraw/zinc/53/74/18/372537418.db2.gz GAXFFXSANUNEJI-IUCAKERBSA-N -1 1 290.750 3.074 20 0 CGADMM CC(C)[C@H]1N(C(=O)c2cc(F)ccc2[O-])CC12CCC2 ZINC000293912895 372522839 /nfs/dbraw/zinc/52/28/39/372522839.db2.gz SAJGPNXZYXHMNV-CQSZACIVSA-N -1 1 277.339 3.182 20 0 CGADMM [O-]c1ccc(F)c(C[NH2+]C[C@H]2CC=CCC2)c1F ZINC000294302776 372644576 /nfs/dbraw/zinc/64/45/76/372644576.db2.gz PZWKINGLYRGZEX-JTQLQIEISA-N -1 1 253.292 3.116 20 0 CGADMM CC(C)(C)c1nc(CN2CCC[C@@H](CC(=O)[O-])C2)cs1 ZINC000054299202 541881329 /nfs/dbraw/zinc/88/13/29/541881329.db2.gz WZOFPEDERNVRHK-NSHDSACASA-N -1 1 296.436 3.127 20 0 CGADMM O=C(NC[C@@H]1CCCCC1(F)F)c1ccc([O-])cc1F ZINC000295535073 372817688 /nfs/dbraw/zinc/81/76/88/372817688.db2.gz WZSMRDQBAPEZBX-VIFPVBQESA-N -1 1 287.281 3.087 20 0 CGADMM CCN(CCC1CC1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442805880 373090502 /nfs/dbraw/zinc/09/05/02/373090502.db2.gz ZUQGMOTZGVWFIB-UHFFFAOYSA-N -1 1 297.782 3.316 20 0 CGADMM COc1cc(C(=O)N[C@@H](C)CC(C)C)cc(Cl)c1[O-] ZINC000443060834 373147029 /nfs/dbraw/zinc/14/70/29/373147029.db2.gz HFWCOJIZKZZQJS-VIFPVBQESA-N -1 1 285.771 3.219 20 0 CGADMM COc1cccc(C)c1NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000444456477 373190826 /nfs/dbraw/zinc/19/08/26/373190826.db2.gz DRORVNNARUZHOT-UHFFFAOYSA-N -1 1 297.314 3.239 20 0 CGADMM Cc1nc(-c2ccc(N3CCC[C@H](C)C3)nc2)[n-]c(=O)c1C ZINC000301178422 373685075 /nfs/dbraw/zinc/68/50/75/373685075.db2.gz NNQNOALMLXMNID-NSHDSACASA-N -1 1 298.390 3.097 20 0 CGADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1 ZINC000180263778 373984894 /nfs/dbraw/zinc/98/48/94/373984894.db2.gz ULZNJQSVEKCPTP-UHFFFAOYSA-N -1 1 294.351 3.145 20 0 CGADMM C[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180332204 373991292 /nfs/dbraw/zinc/99/12/92/373991292.db2.gz WSJUZOSXAIMLEL-SECBINFHSA-N -1 1 287.281 3.426 20 0 CGADMM CCc1ccc(CN=c2[n-]c(C(C)=O)c(C)s2)s1 ZINC000450257076 374024642 /nfs/dbraw/zinc/02/46/42/374024642.db2.gz JNCNABRLXYBLOH-UHFFFAOYSA-N -1 1 280.418 3.312 20 0 CGADMM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180706950 374037842 /nfs/dbraw/zinc/03/78/42/374037842.db2.gz KFRHHLZKKLAWEL-RKDXNWHRSA-N -1 1 287.281 3.424 20 0 CGADMM CC(=O)c1cc(C(=O)Nc2ccc(F)cc2[O-])cs1 ZINC000334231360 206227663 /nfs/dbraw/zinc/22/76/63/206227663.db2.gz LGOAYMHQCZNEDE-UHFFFAOYSA-N -1 1 279.292 3.048 20 0 CGADMM COc1cc(C(=O)NC[C@H]2CC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000334070813 374643636 /nfs/dbraw/zinc/64/36/36/374643636.db2.gz SKIARGQUGVDVJF-ZJUUUORDSA-N -1 1 297.782 3.220 20 0 CGADMM CC[C@@H](C)CCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456790145 374623889 /nfs/dbraw/zinc/62/38/89/374623889.db2.gz VTJMLMUHUITDHE-MRVPVSSYSA-N -1 1 257.280 3.435 20 0 CGADMM Oc1cccc(C[N@H+]2CCC[C@H](n3cccn3)C2)c1Cl ZINC000334452116 374762435 /nfs/dbraw/zinc/76/24/35/374762435.db2.gz XOWMYDPEFJGIFF-ZDUSSCGKSA-N -1 1 291.782 3.079 20 0 CGADMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463663071 374846673 /nfs/dbraw/zinc/84/66/73/374846673.db2.gz GLNUJSOYKBESRJ-BDAKNGLRSA-N -1 1 293.791 3.192 20 0 CGADMM CN(CC1(c2ccccc2)CC1)C(=O)c1ccc([O-])cc1F ZINC000186775086 374915685 /nfs/dbraw/zinc/91/56/85/374915685.db2.gz MHLNUJJASGKEFX-UHFFFAOYSA-N -1 1 299.345 3.335 20 0 CGADMM COC(=O)c1c[n-]c(S[C@H](C)c2ccc(F)cc2F)n1 ZINC000187587987 375050532 /nfs/dbraw/zinc/05/05/32/375050532.db2.gz NLZLOFNKHAAAOK-SSDOTTSWSA-N -1 1 298.314 3.328 20 0 CGADMM C[C@@H]1CCN(Cc2c(F)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000335424125 375283892 /nfs/dbraw/zinc/28/38/92/375283892.db2.gz MOMFFRZWGANKCO-ZJUUUORDSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(Cl)cn1 ZINC000188719958 375259384 /nfs/dbraw/zinc/25/93/84/375259384.db2.gz SOCMKPPSNZRWEM-QMMMGPOBSA-N -1 1 294.713 3.071 20 0 CGADMM CCc1cncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000335745002 375395447 /nfs/dbraw/zinc/39/54/47/375395447.db2.gz LLBDMUIFXAUCIZ-UHFFFAOYSA-N -1 1 276.723 3.255 20 0 CGADMM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ncccc1[O-] ZINC000335710954 375367923 /nfs/dbraw/zinc/36/79/23/375367923.db2.gz ILEXJBSDGLYEIU-DZGCQCFKSA-N -1 1 296.370 3.196 20 0 CGADMM Cc1cnc(C(=O)N2CCC[C@H]2c2ccsc2)c([O-])c1 ZINC000336109022 375691976 /nfs/dbraw/zinc/69/19/76/375691976.db2.gz LAPBTCYMRLXIMC-LBPRGKRZSA-N -1 1 288.372 3.134 20 0 CGADMM Cc1cccnc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192265053 375721447 /nfs/dbraw/zinc/72/14/47/375721447.db2.gz DFYUZGCMKWDVGO-UHFFFAOYSA-N -1 1 277.711 3.393 20 0 CGADMM CC(C)[C@@H]1CCN1C(=O)c1cc(Br)ccc1[O-] ZINC000336144034 375723109 /nfs/dbraw/zinc/72/31/09/375723109.db2.gz CIMSKSIAUSSZCQ-NSHDSACASA-N -1 1 298.180 3.025 20 0 CGADMM CCc1cc([N-]S(=O)(=O)c2ccccc2)ccc1F ZINC000507612466 375717876 /nfs/dbraw/zinc/71/78/76/375717876.db2.gz CMFQODAEOLTBDN-UHFFFAOYSA-N -1 1 279.336 3.189 20 0 CGADMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1cccs1 ZINC000336629662 375891119 /nfs/dbraw/zinc/89/11/19/375891119.db2.gz ZVTPPJNDSFLNHZ-MRVPVSSYSA-N -1 1 265.309 3.335 20 0 CGADMM CCc1ccc([C@H](NC(=O)c2cncc([O-])c2)C(C)C)cc1 ZINC000336852585 376013488 /nfs/dbraw/zinc/01/34/88/376013488.db2.gz UFVGIDOOWAUKRP-QGZVFWFLSA-N -1 1 298.386 3.477 20 0 CGADMM Cc1ncsc1CCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000195080614 376075582 /nfs/dbraw/zinc/07/55/82/376075582.db2.gz OFPBEHISNWWGEU-UHFFFAOYSA-N -1 1 293.417 3.159 20 0 CGADMM CCCCC[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000226267748 376347808 /nfs/dbraw/zinc/34/78/08/376347808.db2.gz ZCJNWUMJINZGHD-SNVBAGLBSA-N -1 1 253.317 3.230 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)c(F)c1 ZINC000154617241 542118264 /nfs/dbraw/zinc/11/82/64/542118264.db2.gz OEGHALIBHXDYPC-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM CC[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)s1 ZINC000339950530 376877599 /nfs/dbraw/zinc/87/75/99/376877599.db2.gz GSRNAOWCEVEHMC-JTQLQIEISA-N -1 1 296.779 3.383 20 0 CGADMM O=C([N-][C@H]1CCC[C@@H]1c1ccccc1)C(F)(F)F ZINC000264692431 190129086 /nfs/dbraw/zinc/12/90/86/190129086.db2.gz HPFLEKALSNXXGR-MNOVXSKESA-N -1 1 257.255 3.001 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2ncccc2c1 ZINC000340329928 377005487 /nfs/dbraw/zinc/00/54/87/377005487.db2.gz IBLUZCQVOKROEV-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(Cc1ccccc1Cl)Nc1ccc(F)cc1[O-] ZINC000340331407 377006725 /nfs/dbraw/zinc/00/67/25/377006725.db2.gz WKVNSCUZICVUSL-UHFFFAOYSA-N -1 1 279.698 3.366 20 0 CGADMM Cc1ccccc1[C@@H]([N-]C(=O)C(F)(F)F)C1CC1 ZINC000264807119 190135807 /nfs/dbraw/zinc/13/58/07/190135807.db2.gz OIRGTFUGDJBHHV-NSHDSACASA-N -1 1 257.255 3.125 20 0 CGADMM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000092599639 249033696 /nfs/dbraw/zinc/03/36/96/249033696.db2.gz BWRCUXZXPQMQTB-DTORHVGOSA-N -1 1 298.180 3.168 20 0 CGADMM COCC(C)(C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278107446 249067592 /nfs/dbraw/zinc/06/75/92/249067592.db2.gz ILUYVNAIYUYEDM-UHFFFAOYSA-N -1 1 282.727 3.020 20 0 CGADMM Cc1cccc2c1CCN2C(=O)c1cc(F)ccc1[O-] ZINC000175209280 542185278 /nfs/dbraw/zinc/18/52/78/542185278.db2.gz FLCOACUXVDOBLM-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM Cc1ccc([C@H]2CCC[N@@H+]2Cc2ncccc2[O-])cc1 ZINC000515093368 249202022 /nfs/dbraw/zinc/20/20/22/249202022.db2.gz JMQXMQIVYNQLKR-MRXNPFEDSA-N -1 1 268.360 3.433 20 0 CGADMM O=C([O-])[C@H](NCc1ccnc2ccccc12)c1cccs1 ZINC000575113226 377748382 /nfs/dbraw/zinc/74/83/82/377748382.db2.gz CLXIYFMZDXRQKG-OAHLLOKOSA-N -1 1 298.367 3.212 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc(Cl)c1F ZINC000263455023 377939377 /nfs/dbraw/zinc/93/93/77/377939377.db2.gz APZVZQGYZFAKHI-MWLCHTKSSA-N -1 1 285.746 3.164 20 0 CGADMM CC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1c(C)noc1C ZINC000263583224 377948138 /nfs/dbraw/zinc/94/81/38/377948138.db2.gz ZQRCILYDMKLSCB-CQSZACIVSA-N -1 1 288.347 3.231 20 0 CGADMM CC(C)c1nc(=NC[C@@H]2CCCc3ccccc32)o[n-]1 ZINC000346873597 218044481 /nfs/dbraw/zinc/04/44/81/218044481.db2.gz HIKONVOLUNXTSN-ZDUSSCGKSA-N -1 1 271.364 3.147 20 0 CGADMM CCc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)o1 ZINC000276941293 379026304 /nfs/dbraw/zinc/02/63/04/379026304.db2.gz CROSEQRKYKYXGA-CYBMUJFWSA-N -1 1 279.361 3.209 20 0 CGADMM [O-]c1ccc(-c2noc(C[C@@H]3CCCCO3)n2)c(Cl)c1 ZINC000278082598 379291413 /nfs/dbraw/zinc/29/14/13/379291413.db2.gz GLSVWYLBNFYOIE-JTQLQIEISA-N -1 1 294.738 3.207 20 0 CGADMM C[C@@H]1CC(=O)CC[C@H]1c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278118402 379295457 /nfs/dbraw/zinc/29/54/57/379295457.db2.gz JDLBKUVJSCMHJD-LDYMZIIASA-N -1 1 290.294 3.054 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cccc4n[nH]cc43)n2)c(F)c1 ZINC000350813243 379588834 /nfs/dbraw/zinc/58/88/34/379588834.db2.gz NEHSSEUBRVAOIS-UHFFFAOYSA-N -1 1 296.261 3.125 20 0 CGADMM O=C(N=c1[n-]sc2ccccc21)N1CCCC2(CC2)C1 ZINC000640338967 379771153 /nfs/dbraw/zinc/77/11/53/379771153.db2.gz JHQNQOMCNJMXHR-UHFFFAOYSA-N -1 1 287.388 3.126 20 0 CGADMM CCc1ccc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)o1 ZINC000417619474 380653642 /nfs/dbraw/zinc/65/36/42/380653642.db2.gz KRADBOMZGIAXMV-CVEARBPZSA-N -1 1 285.343 3.245 20 0 CGADMM CO[C@H](C)c1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000170730408 533115795 /nfs/dbraw/zinc/11/57/95/533115795.db2.gz OXPFJHWLLNNKPY-SNVBAGLBSA-N -1 1 287.315 3.058 20 0 CGADMM C[C@H]1CN(Cc2cccc(Cl)c2F)CC[C@H]1C(=O)[O-] ZINC000302493745 572517409 /nfs/dbraw/zinc/51/74/09/572517409.db2.gz JOYNKFBMUDGENZ-GXSJLCMTSA-N -1 1 285.746 3.022 20 0 CGADMM Cc1cccc2nc(-c3cc([O-])cc(F)c3)[nH]c(=O)c12 ZINC000345190363 542505903 /nfs/dbraw/zinc/50/59/03/542505903.db2.gz ORPQETHJFAWMGC-UHFFFAOYSA-N -1 1 270.263 3.156 20 0 CGADMM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ncccc1[O-] ZINC000153537859 392521229 /nfs/dbraw/zinc/52/12/29/392521229.db2.gz KLUYFNFCADXJGZ-NSHDSACASA-N -1 1 296.326 3.367 20 0 CGADMM O=c1cc(C(F)(F)F)nc(SCCCCF)[n-]1 ZINC000505533957 392670457 /nfs/dbraw/zinc/67/04/57/392670457.db2.gz UBELEIRHARUNBT-UHFFFAOYSA-N -1 1 270.251 3.043 20 0 CGADMM O=C(CCc1ccc(F)cc1F)Nc1ccc(F)cc1[O-] ZINC000505625555 392681721 /nfs/dbraw/zinc/68/17/21/392681721.db2.gz LHUVAQATBRLJDY-UHFFFAOYSA-N -1 1 295.260 3.381 20 0 CGADMM CCC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1[O-])C(C)C ZINC000505731024 392692505 /nfs/dbraw/zinc/69/25/05/392692505.db2.gz GNEXJKHFEHDKGG-GFCCVEGCSA-N -1 1 293.363 3.190 20 0 CGADMM O=C(NC[C@@H]1CC12CC2)c1ccc2ccccc2c1[O-] ZINC000416082244 393255177 /nfs/dbraw/zinc/25/51/77/393255177.db2.gz YNJWBHCCJMXSOA-LBPRGKRZSA-N -1 1 267.328 3.075 20 0 CGADMM CN(C(=O)c1cncc([O-])c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416299189 393297058 /nfs/dbraw/zinc/29/70/58/393297058.db2.gz ZYNUKVHEGZTJFN-KGLIPLIRSA-N -1 1 276.380 3.074 20 0 CGADMM Cc1cccc(CN(C)C(=O)c2ccc([O-])c(F)c2)c1C ZINC000646540123 393297529 /nfs/dbraw/zinc/29/75/29/393297529.db2.gz LIFNKJGEVOIAQL-UHFFFAOYSA-N -1 1 287.334 3.420 20 0 CGADMM CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000416545872 393315389 /nfs/dbraw/zinc/31/53/89/393315389.db2.gz IYGNHEPHZTZCDG-MWLCHTKSSA-N -1 1 293.841 3.114 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C(F)F)c1ccc([O-])c(F)c1 ZINC000647101148 393339733 /nfs/dbraw/zinc/33/97/33/393339733.db2.gz UMCMTRIWWDBNIO-ZDUSSCGKSA-N -1 1 295.260 3.268 20 0 CGADMM COc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000356451628 393447592 /nfs/dbraw/zinc/44/75/92/393447592.db2.gz FENQASQYUDSTMZ-UHFFFAOYSA-N -1 1 293.710 3.093 20 0 CGADMM O=C(/C=C\c1nc2ccccc2o1)Nc1ccc(F)cc1[O-] ZINC000492268156 393712762 /nfs/dbraw/zinc/71/27/62/393712762.db2.gz JEIAVANTHZBPGZ-FPLPWBNLSA-N -1 1 298.273 3.324 20 0 CGADMM CCOCc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000438721522 393729654 /nfs/dbraw/zinc/72/96/54/393729654.db2.gz JNKDIIOCSYMANI-UHFFFAOYSA-N -1 1 291.372 3.024 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C/C3CCC3)n2)c(F)c1 ZINC000445459233 393796313 /nfs/dbraw/zinc/79/63/13/393796313.db2.gz YTPAJNGZINISBR-QPJJXVBHSA-N -1 1 260.268 3.395 20 0 CGADMM CS[C@H](C)CCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445481010 393798356 /nfs/dbraw/zinc/79/83/56/393798356.db2.gz NEHPXJPCPXZHEI-MRVPVSSYSA-N -1 1 282.340 3.265 20 0 CGADMM Cc1ccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)nc1 ZINC000445477262 393798398 /nfs/dbraw/zinc/79/83/98/393798398.db2.gz BPWUDGBXRDGOMY-FNORWQNLSA-N -1 1 297.289 3.455 20 0 CGADMM CC(C)n1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)n1 ZINC000445477158 393798913 /nfs/dbraw/zinc/79/89/13/393798913.db2.gz MBOULFCAUOMLHN-UHFFFAOYSA-N -1 1 288.282 3.026 20 0 CGADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000450142032 393984971 /nfs/dbraw/zinc/98/49/71/393984971.db2.gz KLRRMBZMGGQNCQ-KOLCDFICSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)[C@@H]1CCC[C@H](C)C1 ZINC000457006858 394310224 /nfs/dbraw/zinc/31/02/24/394310224.db2.gz PRZPGEATGLFHQV-SDDRHHMPSA-N -1 1 279.355 3.476 20 0 CGADMM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000457307806 394343884 /nfs/dbraw/zinc/34/38/84/394343884.db2.gz WAEGOAUZWFZAQF-ABAIWWIYSA-N -1 1 283.318 3.225 20 0 CGADMM Cc1ccccc1[C@@H](CO)[N-]c1nc(-c2ccccc2)no1 ZINC000673817507 543255758 /nfs/dbraw/zinc/25/57/58/543255758.db2.gz SRAMCOYMUFYRTA-OAHLLOKOSA-N -1 1 295.342 3.191 20 0 CGADMM C[C@H]1CN(Cc2ccc(Cl)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000388614137 397690706 /nfs/dbraw/zinc/69/07/06/397690706.db2.gz HOQXJGRMLSGZAX-ONGXEEELSA-N -1 1 285.746 3.022 20 0 CGADMM O=S(=O)(CCC1CCCC1)[N-]C1(C(F)F)CCCC1 ZINC000650007011 397768163 /nfs/dbraw/zinc/76/81/63/397768163.db2.gz VOHBYMREIKNKEY-UHFFFAOYSA-N -1 1 295.395 3.064 20 0 CGADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[O-])c1ccncc1 ZINC000676181290 543385528 /nfs/dbraw/zinc/38/55/28/543385528.db2.gz FPKFTWDOJHVQER-JTQLQIEISA-N -1 1 274.295 3.059 20 0 CGADMM Cc1ccc([C@@H]2CCCN2C(=O)c2ncc(C)cc2[O-])cc1 ZINC000331830996 292213373 /nfs/dbraw/zinc/21/33/73/292213373.db2.gz BJRUABQVWVUUAG-HNNXBMFYSA-N -1 1 296.370 3.381 20 0 CGADMM Cc1ccc([C@@H]2CCN(C(=O)c3cncc([O-])c3)C2)c(C)c1 ZINC000280743554 292218355 /nfs/dbraw/zinc/21/83/55/292218355.db2.gz ZYWJVPBZGGJQLS-CQSZACIVSA-N -1 1 296.370 3.034 20 0 CGADMM [O-]c1cccc(CN2CCCC[C@H]2c2ncc[nH]2)c1Cl ZINC000295229657 304845670 /nfs/dbraw/zinc/84/56/70/304845670.db2.gz CTLUEJGBIXOYLX-LBPRGKRZSA-N -1 1 291.782 3.496 20 0 CGADMM CC[C@H](C)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000037023573 286883859 /nfs/dbraw/zinc/88/38/59/286883859.db2.gz LZWYUNGUJIXOBR-NSHDSACASA-N -1 1 257.333 3.416 20 0 CGADMM CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)ccc1[O-] ZINC000080001842 287062307 /nfs/dbraw/zinc/06/23/07/287062307.db2.gz ZZYKCAUANNZGAG-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2)c(Cl)c1 ZINC000074936122 165097108 /nfs/dbraw/zinc/09/71/08/165097108.db2.gz FCKXDJVMFBSELV-UHFFFAOYSA-N -1 1 297.763 3.149 20 0 CGADMM CCCC(=CC(=O)NCc1n[n-]c(=S)n1CC)CCC ZINC000092412730 165295292 /nfs/dbraw/zinc/29/52/92/165295292.db2.gz YRDRUTCFBBLTCL-UHFFFAOYSA-N -1 1 296.440 3.103 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000116877060 287158538 /nfs/dbraw/zinc/15/85/38/287158538.db2.gz OLZJHGFSLWPRRC-UHFFFAOYSA-N -1 1 261.346 3.050 20 0 CGADMM CC(C)CO[N-]C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000284417253 196049895 /nfs/dbraw/zinc/04/98/95/196049895.db2.gz OGMUWYVZJYTFNL-ZDUSSCGKSA-N -1 1 291.391 3.333 20 0 CGADMM CC[C@H](C)CN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000037173911 173008003 /nfs/dbraw/zinc/00/80/03/173008003.db2.gz YOSUJEIYGRIQBX-VIFPVBQESA-N -1 1 255.745 3.164 20 0 CGADMM CCC(CC)n1ccc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])n1 ZINC000069996961 416489337 /nfs/dbraw/zinc/48/93/37/416489337.db2.gz NRSUACKZVKQYNC-OAHLLOKOSA-N -1 1 293.411 3.073 20 0 CGADMM CCC(CC)n1ccc(CN2CCCC[C@@H]2CC(=O)[O-])n1 ZINC000069996961 416489341 /nfs/dbraw/zinc/48/93/41/416489341.db2.gz NRSUACKZVKQYNC-OAHLLOKOSA-N -1 1 293.411 3.073 20 0 CGADMM O=C(NCCCC1CCCC1)c1ccc([O-])c(F)c1 ZINC000681016911 543757845 /nfs/dbraw/zinc/75/78/45/543757845.db2.gz NUOAVDPMOYFVOK-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681041870 543759435 /nfs/dbraw/zinc/75/94/35/543759435.db2.gz UGPIIVWDUABNRK-CYBMUJFWSA-N -1 1 265.328 3.182 20 0 CGADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc([O-])c(F)c1 ZINC000681047592 543760507 /nfs/dbraw/zinc/76/05/07/543760507.db2.gz PLNOJTQRRUFRPX-JTNHKYCSSA-N -1 1 277.339 3.325 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000681050126 543760711 /nfs/dbraw/zinc/76/07/11/543760711.db2.gz RWLKCPMSYPQRRZ-CQSZACIVSA-N -1 1 289.281 3.258 20 0 CGADMM CC(C)CC1(CNC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681054865 543761236 /nfs/dbraw/zinc/76/12/36/543761236.db2.gz YZPWDZUPWSOQJF-UHFFFAOYSA-N -1 1 265.328 3.087 20 0 CGADMM CCCC1(CNC(=O)c2ccc([O-])c(F)c2)CCC1 ZINC000681055983 543762110 /nfs/dbraw/zinc/76/21/10/543762110.db2.gz SMTDDDXRDJMCRX-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM CCOc1ccccc1N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681059519 543762118 /nfs/dbraw/zinc/76/21/18/543762118.db2.gz VUSYOMYFSVUMRB-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc([O-])c(F)c2)CC12CCC2 ZINC000681067455 543763345 /nfs/dbraw/zinc/76/33/45/543763345.db2.gz XQKFMVQZVGMIAJ-NSHDSACASA-N -1 1 277.339 3.184 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(F)c1F ZINC000681066681 543763442 /nfs/dbraw/zinc/76/34/42/543763442.db2.gz RCONAACLSFEBCA-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM CC(C)[C@@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000682021862 543815922 /nfs/dbraw/zinc/81/59/22/543815922.db2.gz XNEPUYRJFCBTGX-GFCCVEGCSA-N -1 1 265.328 3.040 20 0 CGADMM CC(C)(C)OC1CC(CC(=O)Nc2c([O-])cccc2F)C1 ZINC000683114900 543896625 /nfs/dbraw/zinc/89/66/25/543896625.db2.gz RGEYRSJCSKYPGC-UHFFFAOYSA-N -1 1 295.354 3.454 20 0 CGADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000134604139 287449895 /nfs/dbraw/zinc/44/98/95/287449895.db2.gz GMGNRCAVAXQUTN-UHFFFAOYSA-N -1 1 297.763 3.155 20 0 CGADMM O=C(NCc1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000148998086 287496315 /nfs/dbraw/zinc/49/63/15/287496315.db2.gz DQNSXXHCOZMQRX-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM Cc1cc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])s2)on1 ZINC000652396992 418961520 /nfs/dbraw/zinc/96/15/20/418961520.db2.gz JQJKAQUVMCHVEV-NSHDSACASA-N -1 1 292.360 3.080 20 0 CGADMM COCCCCc1noc(-c2cc(SC)ccc2[O-])n1 ZINC000664776959 419003308 /nfs/dbraw/zinc/00/33/08/419003308.db2.gz ONTRZPLWGDOVHX-UHFFFAOYSA-N -1 1 294.376 3.133 20 0 CGADMM C[C@H](C1CC1)N(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000666278175 419204857 /nfs/dbraw/zinc/20/48/57/419204857.db2.gz GINFURQQMOKJDJ-LLVKDONJSA-N -1 1 296.370 3.344 20 0 CGADMM Cc1nc(SCc2cnn(C(C)(C)C)c2)[n-]c(=O)c1C ZINC000657256064 419238112 /nfs/dbraw/zinc/23/81/12/419238112.db2.gz ZVHUHOUCKSFWSR-UHFFFAOYSA-N -1 1 292.408 3.043 20 0 CGADMM O=C(NCCCC1CC1)c1cc(Br)ccc1[O-] ZINC000227638145 287638128 /nfs/dbraw/zinc/63/81/28/287638128.db2.gz IIUPJSCZITYRGK-UHFFFAOYSA-N -1 1 298.180 3.075 20 0 CGADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000180744225 260109521 /nfs/dbraw/zinc/10/95/21/260109521.db2.gz DPFHBIPQUGONGC-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CC(C)(C)c1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000082324065 260186052 /nfs/dbraw/zinc/18/60/52/260186052.db2.gz QDDNFHVWLCSRTQ-UHFFFAOYSA-N -1 1 270.332 3.337 20 0 CGADMM C[C@@H](CN(C)C(=O)c1cncc([O-])c1)C1CCCCC1 ZINC000530038807 270193664 /nfs/dbraw/zinc/19/36/64/270193664.db2.gz MSPPAKNFSXRFJR-LBPRGKRZSA-N -1 1 276.380 3.076 20 0 CGADMM O=S(=O)([N-]CCC1CCCC1)c1cc2ccccc2o1 ZINC000531247377 270205624 /nfs/dbraw/zinc/20/56/24/270205624.db2.gz LYKQLZAUXXFNHF-UHFFFAOYSA-N -1 1 293.388 3.291 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O ZINC000504660730 276288250 /nfs/dbraw/zinc/28/82/50/276288250.db2.gz HKJXKKUMXGXOLO-GFCCVEGCSA-N -1 1 250.729 3.479 20 0 CGADMM C[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])[C@@H]1C ZINC000177091960 277746311 /nfs/dbraw/zinc/74/63/11/277746311.db2.gz CXGNXQYDZUTQQP-RKDXNWHRSA-N -1 1 298.180 3.025 20 0 CGADMM CC1(C)CCN(C(=O)c2cncc([O-])c2)c2ccccc21 ZINC000290756353 278257552 /nfs/dbraw/zinc/25/75/52/278257552.db2.gz ZESRBLXCHBRSMU-UHFFFAOYSA-N -1 1 282.343 3.115 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)[C@H]2CCCC[C@H]12 ZINC000123720490 288034136 /nfs/dbraw/zinc/03/41/36/288034136.db2.gz KIUBFCZMSDCPMX-HCKVZZMMSA-N -1 1 277.339 3.182 20 0 CGADMM CC1(C)C[C@@H](C(=O)Nc2ccc([O-])c(F)c2F)C(C)(C)O1 ZINC000529466772 288249125 /nfs/dbraw/zinc/24/91/25/288249125.db2.gz UCGFLNAIPOKCLN-QMMMGPOBSA-N -1 1 299.317 3.203 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCCC1(F)F ZINC000530005773 288281571 /nfs/dbraw/zinc/28/15/71/288281571.db2.gz NTJYUEONEVXTTL-QMMMGPOBSA-N -1 1 273.254 3.295 20 0 CGADMM C[C@H]1CCCC[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530006415 288282052 /nfs/dbraw/zinc/28/20/52/288282052.db2.gz RSNNPXWPYGLZHL-VHSXEESVSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cc(C(C)(C)C)on1 ZINC000530173065 288292702 /nfs/dbraw/zinc/29/27/02/288292702.db2.gz BQKXXDQAMCAXGS-QWRGUYRKSA-N -1 1 294.395 3.046 20 0 CGADMM C[C@H]1CC(F)(F)CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000530174488 288293415 /nfs/dbraw/zinc/29/34/15/288293415.db2.gz YKELKSCYARTLHY-VIFPVBQESA-N -1 1 287.281 3.144 20 0 CGADMM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531549349 288338296 /nfs/dbraw/zinc/33/82/96/288338296.db2.gz HUDLRJBTDRONGT-WCQYABFASA-N -1 1 293.388 3.290 20 0 CGADMM O=C(c1ncccc1[O-])N1CCC[C@H]1CCC1CCCC1 ZINC000547984604 288984099 /nfs/dbraw/zinc/98/40/99/288984099.db2.gz KYPPBHPERYAKGS-AWEZNQCLSA-N -1 1 288.391 3.362 20 0 CGADMM FC(F)(F)c1nc(=N[C@@H]2C[C@@H]2C2CCCCC2)s[n-]1 ZINC000553077416 289207368 /nfs/dbraw/zinc/20/73/68/289207368.db2.gz JVDNLFBJIDFRTI-RKDXNWHRSA-N -1 1 291.342 3.360 20 0 CGADMM Cc1nc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)co1 ZINC000345214021 293146722 /nfs/dbraw/zinc/14/67/22/293146722.db2.gz VRBRCDRCOKNZIQ-UHFFFAOYSA-N -1 1 269.304 3.422 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc([O-])cc2F)CC1(C)C ZINC000436957613 299957483 /nfs/dbraw/zinc/95/74/83/299957483.db2.gz ZBFPQIOMOPOKNI-JTQLQIEISA-N -1 1 265.328 3.040 20 0 CGADMM [O-]c1cccc(CN2CCCC[C@@H]2c2ncc[nH]2)c1Cl ZINC000295229655 304845701 /nfs/dbraw/zinc/84/57/01/304845701.db2.gz CTLUEJGBIXOYLX-GFCCVEGCSA-N -1 1 291.782 3.496 20 0 CGADMM CC[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ncc[nH]1 ZINC000387711369 327806243 /nfs/dbraw/zinc/80/62/43/327806243.db2.gz RCGAEAXLVKQTDZ-AWEZNQCLSA-N -1 1 295.342 3.150 20 0 CGADMM Cc1ccc(C(=O)C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153640373 321723471 /nfs/dbraw/zinc/72/34/71/321723471.db2.gz NBMKOSJRLZGADU-UHFFFAOYSA-N -1 1 289.718 3.175 20 0 CGADMM Cc1cc(CN(C)Cc2ccc(F)c(C)c2)oc1C(=O)[O-] ZINC000563631044 322004907 /nfs/dbraw/zinc/00/49/07/322004907.db2.gz MWAKTXDVSKOHAN-UHFFFAOYSA-N -1 1 291.322 3.366 20 0 CGADMM Cc1ccc(CSc2ncc(C)c(=O)[n-]2)c(C)c1 ZINC000563730721 322008523 /nfs/dbraw/zinc/00/85/23/322008523.db2.gz IQRZQCPALWGYTA-UHFFFAOYSA-N -1 1 260.362 3.400 20 0 CGADMM CCCc1nc(C)c(CNC2(C(=O)[O-])CCCCCC2)o1 ZINC000565428389 322077206 /nfs/dbraw/zinc/07/72/06/322077206.db2.gz XIPUWCCUBJQNJM-UHFFFAOYSA-N -1 1 294.395 3.203 20 0 CGADMM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C(C)(C)C ZINC000566566977 322129637 /nfs/dbraw/zinc/12/96/37/322129637.db2.gz IOMOOMDUKYOOHS-UHFFFAOYSA-N -1 1 288.347 3.270 20 0 CGADMM CCCN(CC)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000566566834 322130017 /nfs/dbraw/zinc/13/00/17/322130017.db2.gz HIELXXLNHDKDGR-UHFFFAOYSA-N -1 1 288.347 3.272 20 0 CGADMM Cc1cnc(SCCO[C@@H]2CCCC[C@@H]2C)[n-]c1=O ZINC000567754242 322176344 /nfs/dbraw/zinc/17/63/44/322176344.db2.gz VPESOCXCRMOFPG-CMPLNLGQSA-N -1 1 282.409 3.178 20 0 CGADMM O=C([O-])c1ccoc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000568061560 322190637 /nfs/dbraw/zinc/19/06/37/322190637.db2.gz KFDLFPVYBWZKQP-AWEZNQCLSA-N -1 1 289.306 3.454 20 0 CGADMM CC[C@H]1CN([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CCS1 ZINC000568062862 322190976 /nfs/dbraw/zinc/19/09/76/322190976.db2.gz STKOVIZQOKPYJV-QWRGUYRKSA-N -1 1 283.393 3.175 20 0 CGADMM Cc1cnc(SC[C@@H]2CCc3ccccc3C2)[n-]c1=O ZINC000568272587 322202288 /nfs/dbraw/zinc/20/22/88/322202288.db2.gz YTCAWOLFCVSTIT-GFCCVEGCSA-N -1 1 286.400 3.388 20 0 CGADMM CC1(C)CC(C[N-]S(=O)(=O)c2sccc2Cl)C1 ZINC000569781505 322256837 /nfs/dbraw/zinc/25/68/37/322256837.db2.gz PZFYDNJLERQLPW-UHFFFAOYSA-N -1 1 293.841 3.116 20 0 CGADMM CC(C)N(Cc1csc(C(=O)[O-])c1)Cc1ccco1 ZINC000570730651 322280947 /nfs/dbraw/zinc/28/09/47/322280947.db2.gz YXNHLRQUXIDQOT-UHFFFAOYSA-N -1 1 279.361 3.450 20 0 CGADMM CCCCc1nc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)cs1 ZINC000584231920 327070992 /nfs/dbraw/zinc/07/09/92/327070992.db2.gz WQPYNAISUITKOG-AAEUAGOBSA-N -1 1 296.436 3.028 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1cccc(F)c1 ZINC000576998623 335276015 /nfs/dbraw/zinc/27/60/15/335276015.db2.gz LCJHCNRQBRCJFM-UHFFFAOYSA-N -1 1 291.322 3.447 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)[C@H]1CC2CCC1CC2 ZINC000381548413 336068191 /nfs/dbraw/zinc/06/81/91/336068191.db2.gz UBPYAPBKBMBDIK-ZIULKBFBSA-N -1 1 291.366 3.476 20 0 CGADMM C[C@H]1SCCN(Cc2cccc(C(=O)[O-])c2Cl)[C@H]1C ZINC000381586195 336068900 /nfs/dbraw/zinc/06/89/00/336068900.db2.gz CQPKEBGJRPRJPO-VHSXEESVSA-N -1 1 299.823 3.364 20 0 CGADMM CC[C@@H](N=c1nc([C@@H](C)OC)[n-]s1)C1CCCC1 ZINC000382812109 336097392 /nfs/dbraw/zinc/09/73/92/336097392.db2.gz QFFGIHMZYOBNMQ-MWLCHTKSSA-N -1 1 269.414 3.048 20 0 CGADMM CC[C@@H]1CO[C@H](C)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000387183366 336187384 /nfs/dbraw/zinc/18/73/84/336187384.db2.gz XIVBOYRBRUIAMY-TZMCWYRMSA-N -1 1 299.370 3.185 20 0 CGADMM CCCCc1nnc([N-]C(=O)c2ccc(Cl)o2)s1 ZINC000023364499 500661786 /nfs/dbraw/zinc/66/17/86/500661786.db2.gz XPMSTFLPXFWIJD-UHFFFAOYSA-N -1 1 285.756 3.379 20 0 CGADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000426770009 534085951 /nfs/dbraw/zinc/08/59/51/534085951.db2.gz NXOQQHAQVMMTEM-INIZCTEOSA-N -1 1 287.334 3.358 20 0 CGADMM COC(=O)c1c[n-]c(SCc2cccc(C(F)F)c2)n1 ZINC000355956734 534307385 /nfs/dbraw/zinc/30/73/85/534307385.db2.gz XZGLEPJHUHEGJQ-UHFFFAOYSA-N -1 1 298.314 3.426 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccc(F)cn3)n2)c(Cl)c1 ZINC000436874775 534449983 /nfs/dbraw/zinc/44/99/83/534449983.db2.gz VMWHRNWSLOPCRQ-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CCCSC3)n2)cc1F ZINC000333043317 534450822 /nfs/dbraw/zinc/45/08/22/534450822.db2.gz JXEQDXYUYPTAFB-SECBINFHSA-N -1 1 280.324 3.192 20 0 CGADMM O=C([O-])c1coc(CNCc2coc3ccccc23)c1 ZINC000426710332 534550876 /nfs/dbraw/zinc/55/08/76/534550876.db2.gz VQSHPYKYEJUTHG-UHFFFAOYSA-N -1 1 271.272 3.014 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](c2ccco2)C1 ZINC000369236535 534660818 /nfs/dbraw/zinc/66/08/18/534660818.db2.gz OJTJKAVJHCWHKK-JTQLQIEISA-N -1 1 291.734 3.268 20 0 CGADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1c([O-])cccc1F ZINC000436517548 534763263 /nfs/dbraw/zinc/76/32/63/534763263.db2.gz OIXFYLAPCUDVEL-QJPTWQEYSA-N -1 1 277.339 3.230 20 0 CGADMM O=C(N[C@H](c1ccccc1)C(F)F)c1ccc([O-])cc1F ZINC000436888765 534795618 /nfs/dbraw/zinc/79/56/18/534795618.db2.gz UBPMJVHLGTYFMX-CYBMUJFWSA-N -1 1 295.260 3.268 20 0 CGADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000436476817 526279857 /nfs/dbraw/zinc/27/98/57/526279857.db2.gz GRTJUCWGPKJNPO-UHFFFAOYSA-N -1 1 277.320 3.270 20 0 CGADMM CC(C)(C)c1cnc(NC(=O)c2ccc(O)cc2[O-])s1 ZINC000436620709 526828257 /nfs/dbraw/zinc/82/82/57/526828257.db2.gz ULSMSECFAULOEU-UHFFFAOYSA-N -1 1 292.360 3.104 20 0 CGADMM CC(=O)c1ccc(NC(=O)c2cc(C)ccc2[O-])cc1C ZINC000436834855 527313249 /nfs/dbraw/zinc/31/32/49/527313249.db2.gz RNPWHJZYJBOKNZ-UHFFFAOYSA-N -1 1 283.327 3.464 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cccc(CO)c2)c([O-])c1 ZINC000436758059 528080255 /nfs/dbraw/zinc/08/02/55/528080255.db2.gz XIEGDBBHDNLTDI-UHFFFAOYSA-N -1 1 285.343 3.260 20 0 CGADMM CC(C)c1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436664304 528111381 /nfs/dbraw/zinc/11/13/81/528111381.db2.gz KTUHVGBHEDQZLZ-UHFFFAOYSA-N -1 1 283.327 3.337 20 0 CGADMM CCC(C)(C)OCCN=c1[n-]c(C(F)(F)F)cs1 ZINC000413362936 528581819 /nfs/dbraw/zinc/58/18/19/528581819.db2.gz BRGYIQRHMIOCKD-UHFFFAOYSA-N -1 1 282.331 3.201 20 0 CGADMM CC1(C)CC(c2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000436881614 528891431 /nfs/dbraw/zinc/89/14/31/528891431.db2.gz XODDIWHOMPFBRD-UHFFFAOYSA-N -1 1 262.284 3.485 20 0 CGADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC000436865510 529227692 /nfs/dbraw/zinc/22/76/92/529227692.db2.gz SAPZSUAXOQRBPY-YPMHNXCESA-N -1 1 297.395 3.325 20 0 CGADMM Cc1cccc(C2([N-]C(=O)C(F)(F)F)CCCC2)c1 ZINC000729370840 571902905 /nfs/dbraw/zinc/90/29/05/571902905.db2.gz XOCRUNCQQNVJIQ-UHFFFAOYSA-N -1 1 271.282 3.443 20 0 CGADMM O=C([O-])[C@H](NCc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000739501292 572417590 /nfs/dbraw/zinc/41/75/90/572417590.db2.gz VTDNSXHZLIDTKU-CQSZACIVSA-N -1 1 295.260 3.019 20 0 CGADMM Cc1ccc(C2=CCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC000725880075 572474452 /nfs/dbraw/zinc/47/44/52/572474452.db2.gz WONHIVKABCJYAS-UHFFFAOYSA-N -1 1 294.354 3.025 20 0 CGADMM O=C([N-]CC1(c2ccc(F)cc2)CCCC1)C(F)(F)F ZINC000725886405 572479614 /nfs/dbraw/zinc/47/96/14/572479614.db2.gz MESZZMHFENQHMH-UHFFFAOYSA-N -1 1 289.272 3.316 20 0 CGADMM CCC[C@@H](C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736422443 572789069 /nfs/dbraw/zinc/78/90/69/572789069.db2.gz HZXYSIAYBKTFOE-SNVBAGLBSA-N -1 1 282.351 3.015 20 0 CGADMM CCC[C@@H](C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736422443 572789073 /nfs/dbraw/zinc/78/90/73/572789073.db2.gz HZXYSIAYBKTFOE-SNVBAGLBSA-N -1 1 282.351 3.015 20 0 CGADMM O=C([O-])CCCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000821517968 597786049 /nfs/dbraw/zinc/78/60/49/597786049.db2.gz JXESKNUJKCJBIW-ZDUSSCGKSA-N -1 1 267.756 3.342 20 0 CGADMM CC[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(F)cn1 ZINC000820285290 598212954 /nfs/dbraw/zinc/21/29/54/598212954.db2.gz YFJXJZTUTHJXRT-AWEZNQCLSA-N -1 1 288.322 3.160 20 0 CGADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1)c1cc(F)ccc1F ZINC000050508438 600422037 /nfs/dbraw/zinc/42/20/37/600422037.db2.gz SFWLRPQHJNKNOT-MEBBXXQBSA-N -1 1 291.297 3.441 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1ccc(Br)cc1 ZINC000899347499 620647497 /nfs/dbraw/zinc/64/74/97/620647497.db2.gz WNLIKXVDPZVHJV-UHFFFAOYSA-N -1 1 293.164 3.342 20 0 CGADMM CC(C)(C)C1=CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000382496898 604769160 /nfs/dbraw/zinc/76/91/60/604769160.db2.gz KWZXIERTKDMFQZ-UHFFFAOYSA-N -1 1 263.337 3.156 20 0 CGADMM CCc1ccc([C@H](C)NCc2cc(C(=O)[O-])co2)cc1 ZINC000228160359 605060494 /nfs/dbraw/zinc/06/04/94/605060494.db2.gz HXXNQVZESGBYHO-NSHDSACASA-N -1 1 273.332 3.391 20 0 CGADMM CC(C)c1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000071396224 605083115 /nfs/dbraw/zinc/08/31/15/605083115.db2.gz KGEYVDBBWKNBFX-UHFFFAOYSA-N -1 1 273.332 3.391 20 0 CGADMM CCc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000833673849 605270707 /nfs/dbraw/zinc/27/07/07/605270707.db2.gz OHKCPCILLLSFCH-MNOVXSKESA-N -1 1 288.347 3.347 20 0 CGADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)C1CCC1 ZINC000824648637 607904062 /nfs/dbraw/zinc/90/40/62/607904062.db2.gz HWVSESRGZQGWKR-JTQLQIEISA-N -1 1 294.362 3.015 20 0 CGADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)C1CCC1 ZINC000824648637 607904063 /nfs/dbraw/zinc/90/40/63/607904063.db2.gz HWVSESRGZQGWKR-JTQLQIEISA-N -1 1 294.362 3.015 20 0 CGADMM CC(C)c1ccc(N(C)Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000824347779 609173483 /nfs/dbraw/zinc/17/34/83/609173483.db2.gz NMOTXNNGOILALC-UHFFFAOYSA-N -1 1 297.362 3.220 20 0 CGADMM CC(C)c1ccc(N(C)Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000824347779 609173485 /nfs/dbraw/zinc/17/34/85/609173485.db2.gz NMOTXNNGOILALC-UHFFFAOYSA-N -1 1 297.362 3.220 20 0 CGADMM c1sc2ccccc2c1Nc1cccc(-c2nnn[n-]2)n1 ZINC000826517562 609435518 /nfs/dbraw/zinc/43/55/18/609435518.db2.gz HYPOBEHEEYGXTR-UHFFFAOYSA-N -1 1 294.343 3.220 20 0 CGADMM c1sc2ccccc2c1Nc1cccc(-c2nn[n-]n2)n1 ZINC000826517562 609435520 /nfs/dbraw/zinc/43/55/20/609435520.db2.gz HYPOBEHEEYGXTR-UHFFFAOYSA-N -1 1 294.343 3.220 20 0 CGADMM CC[C@@H](Nc1cc(Cl)[n-]c(=O)n1)[C@@H]1CC1(C)C ZINC000858572363 617625944 /nfs/dbraw/zinc/62/59/44/617625944.db2.gz NJRYUBJGMRXICF-JGVFFNPUSA-N -1 1 255.749 3.072 20 0 CGADMM CCCC[C@@H](CC)CNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900111451 620764769 /nfs/dbraw/zinc/76/47/69/620764769.db2.gz WDEMJMYUTHJZHG-LLVKDONJSA-N -1 1 291.395 3.006 20 0 CGADMM [O-]c1cccc(CN2CC(C(F)(F)F)C2)c1Cl ZINC000894891819 619670486 /nfs/dbraw/zinc/67/04/86/619670486.db2.gz PGKBSSFFEUXZPI-UHFFFAOYSA-N -1 1 265.662 3.040 20 0 CGADMM O=C(C[C@H]1CCC2(CCC2)CO1)Nc1ccc(F)cc1[O-] ZINC000897013958 620119265 /nfs/dbraw/zinc/11/92/65/620119265.db2.gz ILZIMIPWJWJULG-GFCCVEGCSA-N -1 1 293.338 3.209 20 0 CGADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2F)C1 ZINC000263043474 620286954 /nfs/dbraw/zinc/28/69/54/620286954.db2.gz JJPCRUNFIDFJSH-GXSJLCMTSA-N -1 1 285.746 3.022 20 0 CGADMM CC(C)C[C@H](Nc1ccnc2cc(F)ccc21)C(=O)[O-] ZINC000263395279 620315727 /nfs/dbraw/zinc/31/57/27/620315727.db2.gz HLTOOFULWIZCNH-AWEZNQCLSA-N -1 1 276.311 3.285 20 0 CGADMM O=C([O-])[C@]1(F)CCN(Cc2cccc(C3CCCC3)c2)C1 ZINC000901520050 620925362 /nfs/dbraw/zinc/92/53/62/620925362.db2.gz UXMUZJJLHQBKEE-KRWDZBQOSA-N -1 1 291.366 3.343 20 0 CGADMM CO[C@H](CN[C@@H](C(=O)[O-])c1cccs1)C1CCCCC1 ZINC000901597079 620948241 /nfs/dbraw/zinc/94/82/41/620948241.db2.gz FSKNAZGMKINNJQ-TZMCWYRMSA-N -1 1 297.420 3.059 20 0 CGADMM COC1CC(Sc2nc(-c3ccccc3)cc(=O)[n-]2)C1 ZINC000901615020 620954298 /nfs/dbraw/zinc/95/42/98/620954298.db2.gz AXQRYDPUPREKQM-UHFFFAOYSA-N -1 1 288.372 3.119 20 0 CGADMM CCc1oc(CNCc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000902052724 621120366 /nfs/dbraw/zinc/12/03/66/621120366.db2.gz DYSNHMKZGOGDOY-UHFFFAOYSA-N -1 1 293.750 3.483 20 0 CGADMM CC(C)(C)[C@H](NCc1cc(C(=O)[O-])no1)c1ccccc1 ZINC000902123864 621162300 /nfs/dbraw/zinc/16/23/00/621162300.db2.gz QZSOCPQCRCODHT-CQSZACIVSA-N -1 1 288.347 3.250 20 0 CGADMM Cc1cc(CN[C@@H]2CCc3cc(C)ccc32)oc1C(=O)[O-] ZINC000902176872 621175778 /nfs/dbraw/zinc/17/57/78/621175778.db2.gz XVYSPYIWGMAIEK-OAHLLOKOSA-N -1 1 285.343 3.372 20 0 CGADMM CSc1cc(C)ccc1CNCc1ccc(C(=O)[O-])o1 ZINC000902349940 621260616 /nfs/dbraw/zinc/26/06/16/621260616.db2.gz QBVDMCURMVZCCR-UHFFFAOYSA-N -1 1 291.372 3.298 20 0 CGADMM CSc1ccc(CNCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000902328152 621263904 /nfs/dbraw/zinc/26/39/04/621263904.db2.gz BHUVLUIVBMULSR-UHFFFAOYSA-N -1 1 291.372 3.298 20 0 CGADMM COc1cc(C)ccc1CNCc1cc(C(=O)[O-])cs1 ZINC000902336622 621271124 /nfs/dbraw/zinc/27/11/24/621271124.db2.gz INAQPHNIASFFPI-UHFFFAOYSA-N -1 1 291.372 3.053 20 0 CGADMM CC[C@H](NCc1cc(C(=O)[O-])no1)c1cc(C)ccc1C ZINC000902382740 621298300 /nfs/dbraw/zinc/29/83/00/621298300.db2.gz UTHLLWRNMPCABP-AWEZNQCLSA-N -1 1 288.347 3.231 20 0 CGADMM Cc1ccc(F)c(CN2CCC(CCC(=O)[O-])CC2)c1F ZINC000903409303 621733032 /nfs/dbraw/zinc/73/30/32/621733032.db2.gz VJXWKEYFRURZQW-UHFFFAOYSA-N -1 1 297.345 3.350 20 0 CGADMM Cc1cc([C@@H](C)[N@H+]2CCC[C@@H](CF)C2)oc1C(=O)[O-] ZINC000903608569 621771613 /nfs/dbraw/zinc/77/16/13/621771613.db2.gz XAWWYEXSURKKDB-MNOVXSKESA-N -1 1 269.316 3.029 20 0 CGADMM Cc1nc(CN(CCC(=O)[O-])C(C)C)sc1C(C)(C)C ZINC000903900559 621830028 /nfs/dbraw/zinc/83/00/28/621830028.db2.gz LRRNNHTZYRTRBP-UHFFFAOYSA-N -1 1 298.452 3.434 20 0 CGADMM CC[C@@H]1CCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])C1 ZINC000903899261 621830068 /nfs/dbraw/zinc/83/00/68/621830068.db2.gz WHXCGSRBTJJSRY-MRVPVSSYSA-N -1 1 291.269 3.229 20 0 CGADMM Cc1nc(CN2CC[C@H](C(=O)[O-])[C@H]2C)sc1C(C)(C)C ZINC000903904281 621831523 /nfs/dbraw/zinc/83/15/23/621831523.db2.gz IRYBZKHZQLFTFZ-MNOVXSKESA-N -1 1 296.436 3.044 20 0 CGADMM CC(F)(F)CCCN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903958461 621837273 /nfs/dbraw/zinc/83/72/73/621837273.db2.gz BEDYFCMUUGIBRS-UHFFFAOYSA-N -1 1 299.317 3.015 20 0 CGADMM CC[C@H](NCc1cccc(C2CC2)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064338 621862177 /nfs/dbraw/zinc/86/21/77/621862177.db2.gz IZKUNQYZZXWEHB-AWEZNQCLSA-N -1 1 299.374 3.226 20 0 CGADMM COc1cnc(C=Cc2cnc(C3CCC3)s2)[n-]c1=O ZINC000905076149 622036851 /nfs/dbraw/zinc/03/68/51/622036851.db2.gz BACDUUSSPSFJEK-AATRIKPKSA-N -1 1 289.360 3.085 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCOC2(CCCC2)C1 ZINC000907140063 622284247 /nfs/dbraw/zinc/28/42/47/622284247.db2.gz RPPCLDGVHNPTOX-LLVKDONJSA-N -1 1 293.338 3.209 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCCC12CC2 ZINC000909972959 622439671 /nfs/dbraw/zinc/43/96/71/622439671.db2.gz SFLDWRWVOXQQKS-QMMMGPOBSA-N -1 1 267.275 3.189 20 0 CGADMM CC1=C(C(=O)Nc2cc([O-])c(F)cc2F)CCC1 ZINC000909984557 622441254 /nfs/dbraw/zinc/44/12/54/622441254.db2.gz PNHZOAYRXUEKPX-UHFFFAOYSA-N -1 1 253.248 3.109 20 0 CGADMM Cc1c(C(=O)Nc2cc([O-])c(F)cc2F)cnn1C(C)C ZINC000909985120 622441517 /nfs/dbraw/zinc/44/15/17/622441517.db2.gz FKJFHOTXWCKSNL-UHFFFAOYSA-N -1 1 295.289 3.009 20 0 CGADMM COCCC1(C(=O)Nc2cc(F)cc(F)c2[O-])CCCC1 ZINC000910980992 622512503 /nfs/dbraw/zinc/51/25/03/622512503.db2.gz AYMZVNLQTKSJNQ-UHFFFAOYSA-N -1 1 299.317 3.206 20 0 CGADMM Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984729 622512998 /nfs/dbraw/zinc/51/29/98/622512998.db2.gz UAGKKQDLMIANRL-ZCFIWIBFSA-N -1 1 296.273 3.017 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC=CC12CCCC2 ZINC000913196023 622739640 /nfs/dbraw/zinc/73/96/40/622739640.db2.gz KPFDYHWYRKWFQZ-UHFFFAOYSA-N -1 1 291.778 3.299 20 0 CGADMM COc1ccc2ccccc2c1C[N-]C(=O)C(F)(F)F ZINC000171245488 623144835 /nfs/dbraw/zinc/14/48/35/623144835.db2.gz AVWDUDILUJNVFG-UHFFFAOYSA-N -1 1 283.249 3.027 20 0 CGADMM O=C(CCc1ccc(Cl)c(Cl)c1)[N-]OCC(F)F ZINC000759328213 623525728 /nfs/dbraw/zinc/52/57/28/623525728.db2.gz OKYSBVKIBSUFQV-UHFFFAOYSA-N -1 1 298.116 3.239 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)C1(C2CC2)CCC1 ZINC000913800946 623585763 /nfs/dbraw/zinc/58/57/63/623585763.db2.gz DTAZFILOEXADGT-UHFFFAOYSA-N -1 1 279.767 3.242 20 0 CGADMM CCc1ccc(N(CC)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000914516901 623819240 /nfs/dbraw/zinc/81/92/40/623819240.db2.gz RWCUQGKXLSBNOD-UHFFFAOYSA-N -1 1 285.343 3.327 20 0 CGADMM O=C(N[C@H]1CCCc2occc21)c1c([O-])cccc1Cl ZINC000920443259 624494583 /nfs/dbraw/zinc/49/45/83/624494583.db2.gz AUMYJQWDBWFZKQ-NSHDSACASA-N -1 1 291.734 3.446 20 0 CGADMM C[C@@H](C(=O)[N-]OCc1ccc(F)cc1)c1cccc(F)c1 ZINC000184157519 625206814 /nfs/dbraw/zinc/20/68/14/625206814.db2.gz OFIKISZDAJUQCP-LLVKDONJSA-N -1 1 291.297 3.316 20 0 CGADMM CCO[C@@H](C(=O)Nc1ccc(F)cc1[O-])C1CCCC1 ZINC000867006938 626325680 /nfs/dbraw/zinc/32/56/80/626325680.db2.gz RBJJVGCYZKTTJJ-CQSZACIVSA-N -1 1 281.327 3.065 20 0 CGADMM CCOCCCCCC(=O)Nc1ccc(F)cc1[O-] ZINC000867006151 626329793 /nfs/dbraw/zinc/32/97/93/626329793.db2.gz BOLLLAKFVQUEBA-UHFFFAOYSA-N -1 1 269.316 3.067 20 0 CGADMM CC(C)([N-]C(=O)C(F)(F)Cc1ccccc1)C(F)(F)F ZINC000839384956 626343109 /nfs/dbraw/zinc/34/31/09/626343109.db2.gz YSLJKIBPHDMLLI-UHFFFAOYSA-N -1 1 295.251 3.322 20 0 CGADMM O=C1Nc2ccc(F)cc2/C1=C/c1ccc([O-])c(F)c1 ZINC000755599243 626631012 /nfs/dbraw/zinc/63/10/12/626631012.db2.gz OOSJSGHUESAJAY-WZUFQYTHSA-N -1 1 273.238 3.163 20 0 CGADMM CCCCCCO[C@H](C)C(=O)Nc1c([O-])cccc1F ZINC000839682753 626778478 /nfs/dbraw/zinc/77/84/78/626778478.db2.gz HZAHKAYSYIVHSZ-LLVKDONJSA-N -1 1 283.343 3.455 20 0 CGADMM CSc1ccncc1[N-]C(=O)c1nc(Cl)ccc1F ZINC000759290056 626885718 /nfs/dbraw/zinc/88/57/18/626885718.db2.gz WAGYJPOZNRWCSS-UHFFFAOYSA-N -1 1 297.742 3.243 20 0 CGADMM CC(C)c1ccc(O[C@@H](C)C[N-]C(=O)C(F)(F)F)cc1 ZINC000805221056 627023198 /nfs/dbraw/zinc/02/31/98/627023198.db2.gz FHBKFHVHYGALCV-JTQLQIEISA-N -1 1 289.297 3.256 20 0 CGADMM O=C(OC/C(Cl)=C\Cl)c1c([O-])cc(F)cc1F ZINC000763947798 627186693 /nfs/dbraw/zinc/18/66/93/627186693.db2.gz LPUZABFWBAEMHR-HWKANZROSA-N -1 1 283.057 3.146 20 0 CGADMM O=C(Nc1cc(Cl)[nH]n1)c1ccc2ccccc2c1[O-] ZINC000765018030 627236486 /nfs/dbraw/zinc/23/64/86/627236486.db2.gz KWQAGJKEYNKDSM-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM Cc1ccc2c(c1)CCCN2C(=O)c1ccc([O-])c(F)c1 ZINC000767291321 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C[C@@H](CN(CC(F)F)C1CCC1)C(=O)c1ccc([O-])cc1 ZINC000931761030 639201223 /nfs/dbraw/zinc/20/12/23/639201223.db2.gz AEXMBRKYOMSENW-NSHDSACASA-N -1 1 297.345 3.331 20 0 CGADMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1F ZINC000194586668 640541110 /nfs/dbraw/zinc/54/11/10/640541110.db2.gz HPNCXTNOYBHABG-MRVPVSSYSA-N -1 1 294.713 3.322 20 0 CGADMM Cc1ccc2ccc(C(=O)Nc3ccccc3O)c([O-])c2n1 ZINC001155658899 805601560 /nfs/dbraw/zinc/60/15/60/805601560.db2.gz VQOXGLWGELNVCZ-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM COc1ccc(-c2cc(F)cc(F)c2[O-])c(OC)c1 ZINC001250617718 805728563 /nfs/dbraw/zinc/72/85/63/805728563.db2.gz ASEKDIRVGJIEAT-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM Cc1[nH]c(-c2nc3ccc(C)c(C)c3[nH]2)c(C)c1C(=O)[O-] ZINC001250877500 805791767 /nfs/dbraw/zinc/79/17/67/805791767.db2.gz ZJOGKYPEYPFRSC-UHFFFAOYSA-N -1 1 283.331 3.490 20 0 CGADMM CCOc1ccc2nc(-c3[nH]c(C)c(C(=O)[O-])c3C)[nH]c2c1 ZINC001250876520 805791880 /nfs/dbraw/zinc/79/18/80/805791880.db2.gz JOINKHPYMGHVMR-UHFFFAOYSA-N -1 1 299.330 3.272 20 0 CGADMM [O-]c1cc(F)cc(F)c1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001250885787 805792738 /nfs/dbraw/zinc/79/27/38/805792738.db2.gz HVWCINUCHIGGOS-UHFFFAOYSA-N -1 1 288.253 3.149 20 0 CGADMM CN(C)c1ccc2nc(-c3c([O-])cc(F)cc3F)[nH]c2c1 ZINC001250886287 805793091 /nfs/dbraw/zinc/79/30/91/805793091.db2.gz WFSQMXORGIBNJH-UHFFFAOYSA-N -1 1 289.285 3.280 20 0 CGADMM CC(=O)Nc1ccc2nc(-c3ccc([S-])cc3)[nH]c2c1 ZINC001251299937 805878352 /nfs/dbraw/zinc/87/83/52/805878352.db2.gz NOQYKGSDGGDHFI-UHFFFAOYSA-N -1 1 283.356 3.477 20 0 CGADMM O=C(N[C@@H]1CCCc2ccccc2C1)c1cc(F)ccc1[O-] ZINC001157946909 805906800 /nfs/dbraw/zinc/90/68/00/805906800.db2.gz KGBJDMIMKHBUMT-OAHLLOKOSA-N -1 1 299.345 3.209 20 0 CGADMM Cc1ccc(-c2nnc(-c3nc(C(F)(F)F)c[n-]3)o2)cc1 ZINC001252669630 806099889 /nfs/dbraw/zinc/09/98/89/806099889.db2.gz YMTOCIOYRHJADE-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM Cc1ccc(-c2nnc(-c3ncc(C(F)(F)F)[n-]3)o2)cc1 ZINC001252669630 806099898 /nfs/dbraw/zinc/09/98/98/806099898.db2.gz YMTOCIOYRHJADE-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM O=S(=O)(Cc1ccccc1)[N-]c1cc(Cl)cs1 ZINC001252821353 806125859 /nfs/dbraw/zinc/12/58/59/806125859.db2.gz YEURERAANAVKIG-UHFFFAOYSA-N -1 1 287.793 3.343 20 0 CGADMM [O-]c1cc(F)cc(-c2nnc(-c3ccccc3)o2)c1 ZINC001253131682 806178299 /nfs/dbraw/zinc/17/82/99/806178299.db2.gz ZQDHMQIEKMSCGD-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM CCCCS(=O)(=O)[N-]c1cccc(-c2ccccc2)n1 ZINC001253786865 806310187 /nfs/dbraw/zinc/31/01/87/806310187.db2.gz MSYLIDGXKBZYDJ-UHFFFAOYSA-N -1 1 290.388 3.290 20 0 CGADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2ccncc2c1 ZINC001254602424 806459170 /nfs/dbraw/zinc/45/91/70/806459170.db2.gz XFGVHLUMCCGWFF-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM O=S(=O)(CC1CCC1)[N-]c1ccccc1OCC1CC1 ZINC000092864733 798960061 /nfs/dbraw/zinc/96/00/61/798960061.db2.gz OQBIGTAVJRUYLV-UHFFFAOYSA-N -1 1 295.404 3.017 20 0 CGADMM CCOc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000111666507 798983508 /nfs/dbraw/zinc/98/35/08/798983508.db2.gz WCMRSMPHWFBWNJ-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM CC[C@H](NC(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000323884236 799248919 /nfs/dbraw/zinc/24/89/19/799248919.db2.gz VHBQMFZJCXBJSB-NSHDSACASA-N -1 1 298.180 3.073 20 0 CGADMM C[C@H](CC(C)(C)C)N=c1nc(C(F)(F)F)[n-]s1 ZINC000384603678 799417408 /nfs/dbraw/zinc/41/74/08/799417408.db2.gz GGDRGBMMUSZJEJ-ZCFIWIBFSA-N -1 1 267.320 3.215 20 0 CGADMM C[C@@H](CC(C)(C)C)N=c1nc(C(F)(F)F)[n-]s1 ZINC000384603675 799417463 /nfs/dbraw/zinc/41/74/63/799417463.db2.gz GGDRGBMMUSZJEJ-LURJTMIESA-N -1 1 267.320 3.215 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1cccc(F)c1C ZINC000405449887 799584970 /nfs/dbraw/zinc/58/49/70/799584970.db2.gz GHJZYEZTYSKIMW-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM O=C(NCc1cc(Cl)ccn1)c1cc(Cl)ccc1[O-] ZINC000436688065 799612457 /nfs/dbraw/zinc/61/24/57/799612457.db2.gz NEKAISJNSMKMLH-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)c(Cl)n1 ZINC000688541794 799749699 /nfs/dbraw/zinc/74/96/99/799749699.db2.gz KPEZTZMTPFRPIB-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM Cc1occc1CN(C)Cc1ccc(C)c(C(=O)[O-])c1 ZINC000701827547 799895897 /nfs/dbraw/zinc/89/58/97/799895897.db2.gz QRXJRTXAUXTXJA-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM C[C@@H]1CC(F)(F)CCN1Cc1cc(C(=O)[O-])cs1 ZINC000711430378 800058578 /nfs/dbraw/zinc/05/85/78/800058578.db2.gz HVGHXBTXCSLLHF-MRVPVSSYSA-N -1 1 275.320 3.066 20 0 CGADMM CC(C)[N@@H+](Cc1ccccc1)Cc1cncc(C(=O)[O-])c1 ZINC000721524593 800291971 /nfs/dbraw/zinc/29/19/71/800291971.db2.gz VOEUIORSGWEFRR-UHFFFAOYSA-N -1 1 284.359 3.190 20 0 CGADMM Cc1[nH]ccc1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001116757507 802405911 /nfs/dbraw/zinc/40/59/11/802405911.db2.gz ANCARZDULRJWHN-UHFFFAOYSA-N -1 1 295.136 3.044 20 0 CGADMM Cc1ccc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)cc1Cl ZINC001119065197 802630966 /nfs/dbraw/zinc/63/09/66/802630966.db2.gz FHNMLMDNFQXADD-ZANVPECISA-N -1 1 262.740 3.397 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC2CCC1CC2 ZINC001119524339 802675707 /nfs/dbraw/zinc/67/57/07/802675707.db2.gz KYMJFUAGQOMOHK-UHFFFAOYSA-N -1 1 297.354 3.266 20 0 CGADMM Cn1ccc2cc(-c3cc(F)c([O-])c(F)c3)ccc2c1=O ZINC001244093150 803181214 /nfs/dbraw/zinc/18/12/14/803181214.db2.gz BXETUFFMLQEDKR-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM [O-]c1c(F)cc(-c2ccccc2C2OCCO2)cc1F ZINC001244094996 803182099 /nfs/dbraw/zinc/18/20/99/803182099.db2.gz YOBWZCUFHNRHGK-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM COc1ncnc2ccc(-c3cc(F)c([O-])c(F)c3)cc21 ZINC001244096100 803184430 /nfs/dbraw/zinc/18/44/30/803184430.db2.gz JPIJGEBZTAIVHY-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)c([O-])c(F)c2)cc1F ZINC001244097165 803184897 /nfs/dbraw/zinc/18/48/97/803184897.db2.gz RVYZUSAIHFVLEM-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)c([O-])c(F)c2)cc1OC ZINC001244097734 803185004 /nfs/dbraw/zinc/18/50/04/803185004.db2.gz YZTVITBIGGQLJS-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM CSc1cc(F)ccc1[N-]C(=O)c1ncc(F)cc1F ZINC001130090485 803267996 /nfs/dbraw/zinc/26/79/96/803267996.db2.gz MNRRCSIOLCBHIW-UHFFFAOYSA-N -1 1 298.289 3.473 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cc3[nH]cnc3cn2)c1F ZINC001244538001 803425007 /nfs/dbraw/zinc/42/50/07/803425007.db2.gz ILLAWWJOMJQRCI-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM NC(=O)Nc1cccc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244540835 803427943 /nfs/dbraw/zinc/42/79/43/803427943.db2.gz GWIJFWZOSXBJTQ-UHFFFAOYSA-N -1 1 280.686 3.342 20 0 CGADMM CCc1nnc(-c2c(Cl)ccc([O-])c2F)nc1CC ZINC001244540441 803428608 /nfs/dbraw/zinc/42/86/08/803428608.db2.gz VEFRSDUFBKWLMY-UHFFFAOYSA-N -1 1 281.718 3.162 20 0 CGADMM C[C@@H](NC(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001135609815 803606874 /nfs/dbraw/zinc/60/68/74/803606874.db2.gz OIBMZPARJSPAJO-SNVBAGLBSA-N -1 1 259.280 3.022 20 0 CGADMM CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(F)c([O-])c1 ZINC001136122405 803631855 /nfs/dbraw/zinc/63/18/55/803631855.db2.gz WSUNKNACBWEBJG-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC001136500185 803645276 /nfs/dbraw/zinc/64/52/76/803645276.db2.gz GPNYAGJWWPSTAY-CYBMUJFWSA-N -1 1 299.345 3.469 20 0 CGADMM Cc1nc2c(cncc2-c2ccc(C(=O)[O-])cc2Cl)[nH]1 ZINC001245374117 803718372 /nfs/dbraw/zinc/71/83/72/803718372.db2.gz RYEUWCCZLHEYES-UHFFFAOYSA-N -1 1 287.706 3.285 20 0 CGADMM Cc1nc2c[nH]cc(-c3ccc(C(=O)[O-])cc3Cl)c-2n1 ZINC001245374117 803718375 /nfs/dbraw/zinc/71/83/75/803718375.db2.gz RYEUWCCZLHEYES-UHFFFAOYSA-N -1 1 287.706 3.285 20 0 CGADMM CC(=O)Nc1cccc(-c2c(F)ccc([O-])c2Cl)n1 ZINC001245826101 803980527 /nfs/dbraw/zinc/98/05/27/803980527.db2.gz BSKLSKWEWQWJAC-UHFFFAOYSA-N -1 1 280.686 3.205 20 0 CGADMM Cc1ccc(-c2ccc(-c3nnn[n-]3)nc2)c(C)c1Cl ZINC001245826870 803980854 /nfs/dbraw/zinc/98/08/54/803980854.db2.gz RZMXBLKIUSEGDN-UHFFFAOYSA-N -1 1 285.738 3.199 20 0 CGADMM Cc1ccc(-c2ccc(-c3nn[n-]n3)nc2)c(C)c1Cl ZINC001245826870 803980863 /nfs/dbraw/zinc/98/08/63/803980863.db2.gz RZMXBLKIUSEGDN-UHFFFAOYSA-N -1 1 285.738 3.199 20 0 CGADMM CCc1nccnc1-c1c(F)ccc([O-])c1Cl ZINC001245828650 803982666 /nfs/dbraw/zinc/98/26/66/803982666.db2.gz XBHSHZWFKFBOER-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM [O-]c1ccc(F)c(-c2cc3n[nH]nc3cc2F)c1Cl ZINC001245830941 803984321 /nfs/dbraw/zinc/98/43/21/803984321.db2.gz AJKGGVWTZFPNTE-UHFFFAOYSA-N -1 1 281.649 3.262 20 0 CGADMM CC(C)Oc1ccc(-c2c(F)ccc([O-])c2Cl)nn1 ZINC001245830566 803985275 /nfs/dbraw/zinc/98/52/75/803985275.db2.gz RCNDKVFWAOUXCC-UHFFFAOYSA-N -1 1 282.702 3.429 20 0 CGADMM COc1ncc(-c2c(F)ccc([O-])c2Cl)cc1F ZINC001245832041 803986409 /nfs/dbraw/zinc/98/64/09/803986409.db2.gz UQEGRYCDJUFLIY-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM CCc1cc(=O)n(-c2ccc(OC(F)(F)F)cc2)[n-]1 ZINC001245916526 804043637 /nfs/dbraw/zinc/04/36/37/804043637.db2.gz LPHDXZKIPJWASM-UHFFFAOYSA-N -1 1 272.226 3.039 20 0 CGADMM O=c1cc(C2CCC2)[n-]n1C(=S)c1ccc(F)cc1 ZINC001245922781 804050639 /nfs/dbraw/zinc/05/06/39/804050639.db2.gz JLTLNXVYCSYNAT-UHFFFAOYSA-N -1 1 276.336 3.219 20 0 CGADMM O=c1cc(CC2CCCC2)[n-]n1-c1ccc2n[nH]cc2c1 ZINC001245931284 804059582 /nfs/dbraw/zinc/05/95/82/804059582.db2.gz DLYYNTITDZXJLG-UHFFFAOYSA-N -1 1 282.347 3.187 20 0 CGADMM COc1ccc(-n2[n-]c(CC3CCC3)cc2=O)c(C)c1 ZINC001245938129 804069000 /nfs/dbraw/zinc/06/90/00/804069000.db2.gz SWUVBPVYMKCXFS-UHFFFAOYSA-N -1 1 272.348 3.238 20 0 CGADMM CCCCCc1cc(=O)n(-c2ccc3n[nH]cc3c2)[n-]1 ZINC001245941655 804075249 /nfs/dbraw/zinc/07/52/49/804075249.db2.gz COVDWHPGSUKEKV-UHFFFAOYSA-N -1 1 270.336 3.187 20 0 CGADMM C[C@@H]1CCC[C@H]1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001138944113 804078154 /nfs/dbraw/zinc/07/81/54/804078154.db2.gz SVNPOYUMJHWREE-NEPJUHHUSA-N -1 1 284.359 3.106 20 0 CGADMM CN(C)c1ccc(-c2cc(=O)n(CC3CCC3)[n-]2)cc1 ZINC001245945308 804080232 /nfs/dbraw/zinc/08/02/32/804080232.db2.gz WTPGANHBZUQZJS-UHFFFAOYSA-N -1 1 271.364 3.122 20 0 CGADMM Cc1cc(-n2[n-]c(CC3CC3)cc2=O)ccc1Cl ZINC001245953985 804090151 /nfs/dbraw/zinc/09/01/51/804090151.db2.gz XDYOAKBLYCWEFW-UHFFFAOYSA-N -1 1 262.740 3.492 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1cccc2c1CCCC2 ZINC001245953962 804090619 /nfs/dbraw/zinc/09/06/19/804090619.db2.gz WMTNKUDCSIITOF-UHFFFAOYSA-N -1 1 268.360 3.409 20 0 CGADMM Nc1cc(Nc2cc(F)c([O-])cc2F)ccc1F ZINC001212343495 815008851 /nfs/dbraw/zinc/00/88/51/815008851.db2.gz JOUUFRZAKJAIAQ-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@H]2c2ccccn2)cc1F ZINC001140989898 804564722 /nfs/dbraw/zinc/56/47/22/804564722.db2.gz GFUJKFVEIGFTCR-HNNXBMFYSA-N -1 1 290.313 3.403 20 0 CGADMM Cc1cccnc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001141702554 804664126 /nfs/dbraw/zinc/66/41/26/804664126.db2.gz SKPZOTNVWOVIJO-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM Nc1ccc(Cl)cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001141834010 804671288 /nfs/dbraw/zinc/67/12/88/804671288.db2.gz QRLBFISEIFFSFG-UHFFFAOYSA-N -1 1 298.676 3.158 20 0 CGADMM C[C@H]1CCC[C@@H](CNC(=O)c2cccc([O-])c2F)C1 ZINC001142281207 804712260 /nfs/dbraw/zinc/71/22/60/804712260.db2.gz PCVRKQZOFSROBG-WDEREUQCSA-N -1 1 265.328 3.087 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2cccc([O-])c2F)C1 ZINC001142281205 804712586 /nfs/dbraw/zinc/71/25/86/804712586.db2.gz PCVRKQZOFSROBG-MNOVXSKESA-N -1 1 265.328 3.087 20 0 CGADMM CC[C@H](NC(=O)c1c([O-])cccc1F)[C@@H]1CC1(C)C ZINC001142506351 804727748 /nfs/dbraw/zinc/72/77/48/804727748.db2.gz PDGNAUANKAAQAE-ONGXEEELSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@]1(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)CC=CCC1 ZINC001142540689 804735148 /nfs/dbraw/zinc/73/51/48/804735148.db2.gz MFUSZUFLTOOION-KRWDZBQOSA-N -1 1 297.358 3.263 20 0 CGADMM CC[C@H](CNC(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001142881164 804778659 /nfs/dbraw/zinc/77/86/59/804778659.db2.gz WLEKSCNAENTUJA-GFCCVEGCSA-N -1 1 287.334 3.455 20 0 CGADMM CC(C)(C)CNC(=S)Nc1cc(F)cc(F)c1[O-] ZINC001247981167 804863480 /nfs/dbraw/zinc/86/34/80/804863480.db2.gz QLOUOGMNWWCQCD-UHFFFAOYSA-N -1 1 274.336 3.003 20 0 CGADMM CN(Cc1ccccc1)Cc1c(F)cc([O-])cc1F ZINC001144541978 805002075 /nfs/dbraw/zinc/00/20/75/805002075.db2.gz NXBRWDLBGXVUBE-UHFFFAOYSA-N -1 1 263.287 3.302 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H]2c2ccncc2)c(F)c1 ZINC001144554819 805003924 /nfs/dbraw/zinc/00/39/24/805003924.db2.gz IRVDXCBCEQJUAK-INIZCTEOSA-N -1 1 290.313 3.403 20 0 CGADMM Cc1cnc(SCc2cccc3cccnc32)[n-]c1=O ZINC001166227554 807041210 /nfs/dbraw/zinc/04/12/10/807041210.db2.gz LQYGXNYSLWNMKH-UHFFFAOYSA-N -1 1 283.356 3.331 20 0 CGADMM CC1(C)C[C@H]1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001145043007 805062428 /nfs/dbraw/zinc/06/24/28/805062428.db2.gz RIRMFFDPWZIAAX-NSHDSACASA-N -1 1 285.343 3.027 20 0 CGADMM C[C@@H]1Cc2ccccc2CN1C(=O)c1cccc([O-])c1F ZINC001148513825 805192783 /nfs/dbraw/zinc/19/27/83/805192783.db2.gz AUGXLTGYOWGURM-LLVKDONJSA-N -1 1 285.318 3.118 20 0 CGADMM COc1cc(Nc2cc([O-])c(F)c(F)c2)ccc1N ZINC001249721424 805224731 /nfs/dbraw/zinc/22/47/31/805224731.db2.gz DFTWJCDACCIYFP-UHFFFAOYSA-N -1 1 266.247 3.005 20 0 CGADMM O=C([O-])c1c(F)ccc(CN2CC[C@H]3CCC[C@@H]3C2)c1F ZINC001249764705 805237498 /nfs/dbraw/zinc/23/74/98/805237498.db2.gz WQGNCIUEENIIII-GHMZBOCLSA-N -1 1 295.329 3.285 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc3cccc(O)c3cc2[O-])C2(CC2)C1 ZINC001149652150 805240292 /nfs/dbraw/zinc/24/02/92/805240292.db2.gz YPZUROUKFRYCCT-NSHDSACASA-N -1 1 297.354 3.266 20 0 CGADMM CSc1nc(Nc2cc3cc(C)ccc3[nH]2)cc(=O)[n-]1 ZINC001249842480 805258373 /nfs/dbraw/zinc/25/83/73/805258373.db2.gz LNHVQHRRVVUMMN-UHFFFAOYSA-N -1 1 286.360 3.437 20 0 CGADMM CC(C)c1ccc(C[C@@H](C)NC(=O)c2ncccc2[O-])cc1 ZINC001151006106 805277198 /nfs/dbraw/zinc/27/71/98/805277198.db2.gz VZJIYPBWGNSSKQ-CYBMUJFWSA-N -1 1 298.386 3.272 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCC(=O)c2ccccc21 ZINC001151779675 805312596 /nfs/dbraw/zinc/31/25/96/805312596.db2.gz JYOULRCIGVJORM-LBPRGKRZSA-N -1 1 299.301 3.230 20 0 CGADMM Cc1ccnc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249958704 805324325 /nfs/dbraw/zinc/32/43/25/805324325.db2.gz QMBJFLAKDQQBRU-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM O=c1[nH]cc(Cl)cc1Nc1cc([O-])c(F)c(F)c1F ZINC001249960543 805326400 /nfs/dbraw/zinc/32/64/00/805326400.db2.gz MVJLAHLNFVAZSI-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM Cn1cc2ccc(Nc3cc([O-])c(F)c(F)c3F)cc2n1 ZINC001249962197 805328300 /nfs/dbraw/zinc/32/83/00/805328300.db2.gz CDQJCOJOPNOPFU-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM COc1ncc(Nc2cc(Cl)c([O-])cc2F)cc1F ZINC001250019868 805369946 /nfs/dbraw/zinc/36/99/46/805369946.db2.gz JMOGWBKPIWUMNE-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM Cc1ncnc(C)c1Nc1cc(Cl)c([O-])cc1F ZINC001250020122 805371991 /nfs/dbraw/zinc/37/19/91/805371991.db2.gz LBNAFYBYXHESCW-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM NC(=O)Nc1cccc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250025627 805376371 /nfs/dbraw/zinc/37/63/71/805376371.db2.gz DSOIUDXPOSTENZ-UHFFFAOYSA-N -1 1 295.701 3.419 20 0 CGADMM COc1ccnc(NC(=O)c2c([O-])ccc3ccccc32)c1 ZINC001153498850 805399841 /nfs/dbraw/zinc/39/98/41/805399841.db2.gz WMUFZLUZAZKHHV-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM CC(C)(C)n1cc(Nc2c([O-])cc(F)cc2F)cn1 ZINC001212571443 815072926 /nfs/dbraw/zinc/07/29/26/815072926.db2.gz SARDKHPBZQJLND-UHFFFAOYSA-N -1 1 267.279 3.366 20 0 CGADMM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc([O-])cn1 ZINC001153783696 805414777 /nfs/dbraw/zinc/41/47/77/805414777.db2.gz MQJHPKLFWWIXGM-PXAZEXFGSA-N -1 1 296.370 3.231 20 0 CGADMM COc1ccc2cc([O-])c(C(=O)N[C@H]3C[C@H]3C3CC3)cc2c1 ZINC001154761160 805483350 /nfs/dbraw/zinc/48/33/50/805483350.db2.gz ZBZBDRZTEMKDDE-HOCLYGCPSA-N -1 1 297.354 3.082 20 0 CGADMM [O-]c1ccc(F)c(Nc2cnnc(Cl)c2)c1Cl ZINC001250227967 805504888 /nfs/dbraw/zinc/50/48/88/805504888.db2.gz FCXPBQLBINPCNC-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM COc1cccnc1Nc1c(F)ccc([O-])c1Cl ZINC001250228875 805504980 /nfs/dbraw/zinc/50/49/80/805504980.db2.gz OSKBCWDNHRLQPA-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM COc1nc(C)ncc1Nc1c(F)ccc([O-])c1Cl ZINC001250229850 805506453 /nfs/dbraw/zinc/50/64/53/805506453.db2.gz POPNYZZROFKKLN-UHFFFAOYSA-N -1 1 283.690 3.035 20 0 CGADMM C=Cc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC001256947415 807012842 /nfs/dbraw/zinc/01/28/42/807012842.db2.gz YYXLZIKOKYUFKL-UHFFFAOYSA-N -1 1 273.357 3.439 20 0 CGADMM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3ncccc3[O-])o2)cc1 ZINC001257209802 807060258 /nfs/dbraw/zinc/06/02/58/807060258.db2.gz PMUHOUGVTHXNRE-CHWSQXEVSA-N -1 1 293.326 3.417 20 0 CGADMM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3ncccc3[O-])o2)cc1 ZINC001257209805 807060805 /nfs/dbraw/zinc/06/08/05/807060805.db2.gz PMUHOUGVTHXNRE-STQMWFEESA-N -1 1 293.326 3.417 20 0 CGADMM O=C(NCCCCCCc1ccccc1)c1cncc([O-])c1 ZINC001166951058 807117548 /nfs/dbraw/zinc/11/75/48/807117548.db2.gz ZNWDRDWSBRTEDU-UHFFFAOYSA-N -1 1 298.386 3.320 20 0 CGADMM CCCC[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257437811 807156014 /nfs/dbraw/zinc/15/60/14/807156014.db2.gz IBMJJLALEPGKDU-UHFFFAOYSA-N -1 1 288.221 3.133 20 0 CGADMM CCCCC[C@H]1CCCCN1C(=O)c1ccc([O-])cn1 ZINC001167602946 807212014 /nfs/dbraw/zinc/21/20/14/807212014.db2.gz NDBGWMNVWQGAJA-ZDUSSCGKSA-N -1 1 276.380 3.362 20 0 CGADMM CC(C)(C)Cc1nnc(-c2cc(F)ccc2[O-])o1 ZINC001257893715 807244489 /nfs/dbraw/zinc/24/44/89/807244489.db2.gz QLCGYXQVHAKVQG-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM COc1cccc([O-])c1-c1nnc(CC2CCCC2)o1 ZINC001258601859 807500806 /nfs/dbraw/zinc/50/08/06/807500806.db2.gz HYJXCTGWJQTASH-UHFFFAOYSA-N -1 1 274.320 3.184 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cn1 ZINC001259096733 807673985 /nfs/dbraw/zinc/67/39/85/807673985.db2.gz DZQUTGUJDUBZIV-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM Cc1ccc(F)c(S(=O)(=O)Nc2ccc([S-])cc2)c1 ZINC001259638049 807683584 /nfs/dbraw/zinc/68/35/84/807683584.db2.gz KGATUOIICZIQBS-UHFFFAOYSA-N -1 1 297.376 3.224 20 0 CGADMM O=S(=O)([N-]c1ccc2ccccc2n1)C1CCCCC1 ZINC001259808068 807687713 /nfs/dbraw/zinc/68/77/13/807687713.db2.gz VHMZXGDZSFYDDN-UHFFFAOYSA-N -1 1 290.388 3.309 20 0 CGADMM CC(=O)c1c(F)cccc1[N-]S(=O)(=O)C1CCCCC1 ZINC001259815218 807689581 /nfs/dbraw/zinc/68/95/81/807689581.db2.gz SKOCBKHXGUJJJU-UHFFFAOYSA-N -1 1 299.367 3.103 20 0 CGADMM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cccs1 ZINC001260828213 807708218 /nfs/dbraw/zinc/70/82/18/807708218.db2.gz VXFDLEGVZNCADN-UHFFFAOYSA-N -1 1 287.793 3.343 20 0 CGADMM O=C([N-]c1nc(C2CC2)no1)c1cc(F)c(F)cc1Cl ZINC001262086763 807819870 /nfs/dbraw/zinc/81/98/70/807819870.db2.gz RBUOZLHBMLIPNT-UHFFFAOYSA-N -1 1 299.664 3.131 20 0 CGADMM Cc1nonc1[N-]c1ccc(Br)cc1F ZINC001212869469 815167250 /nfs/dbraw/zinc/16/72/50/815167250.db2.gz VOAPBZFIKKFADJ-UHFFFAOYSA-N -1 1 272.077 3.023 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cccc2cccnc21 ZINC001171632881 808109465 /nfs/dbraw/zinc/10/94/65/808109465.db2.gz UYNMLFKRUPTVFT-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cc2ccncc2s1 ZINC001171635821 808109814 /nfs/dbraw/zinc/10/98/14/808109814.db2.gz CAFWVQKFXBUYQL-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM CC(=O)Nc1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001173833458 808697941 /nfs/dbraw/zinc/69/79/41/808697941.db2.gz BZYJXYSRZUQFHX-UHFFFAOYSA-N -1 1 278.258 3.372 20 0 CGADMM COc1ccccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001173841731 808704873 /nfs/dbraw/zinc/70/48/73/808704873.db2.gz YYJVAILFTWHHJH-UHFFFAOYSA-N -1 1 281.315 3.330 20 0 CGADMM CC(C)(C)[C@H](C(=O)[O-])c1ccc(Nc2ccncc2)cc1 ZINC001173884590 808739370 /nfs/dbraw/zinc/73/93/70/808739370.db2.gz LYUBWNOHJUVTCG-HNNXBMFYSA-N -1 1 284.359 3.461 20 0 CGADMM COC(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001173964187 808791731 /nfs/dbraw/zinc/79/17/31/808791731.db2.gz YAZNRANNVGEGSB-UHFFFAOYSA-N -1 1 279.242 3.201 20 0 CGADMM CC(C)Oc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001174109205 808870040 /nfs/dbraw/zinc/87/00/40/808870040.db2.gz CNYLJNWCFAICTI-UHFFFAOYSA-N -1 1 283.331 3.101 20 0 CGADMM Cc1nn(C)c(C)c1Nc1cc([O-])c(Cl)cc1F ZINC001174226950 808912590 /nfs/dbraw/zinc/91/25/90/808912590.db2.gz HJWSHSQZUAZGBR-UHFFFAOYSA-N -1 1 269.707 3.279 20 0 CGADMM CCN(C)C(=O)c1ccc([N-]c2nnc(C(C)C)o2)cc1 ZINC001174320416 808950393 /nfs/dbraw/zinc/95/03/93/808950393.db2.gz JRLDCQJXZYNZCT-UHFFFAOYSA-N -1 1 288.351 3.029 20 0 CGADMM CCc1nnc([N-]c2c(OC)ccc(F)c2F)s1 ZINC001174421796 809013370 /nfs/dbraw/zinc/01/33/70/809013370.db2.gz OHMBZMIGCQOXMB-UHFFFAOYSA-N -1 1 271.292 3.131 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc2cn[nH]c2c1 ZINC001174498481 809046841 /nfs/dbraw/zinc/04/68/41/809046841.db2.gz GJJVYGKBQIBPFY-UHFFFAOYSA-N -1 1 260.684 3.061 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc2c[nH]nc2c1 ZINC001174498481 809046847 /nfs/dbraw/zinc/04/68/47/809046847.db2.gz GJJVYGKBQIBPFY-UHFFFAOYSA-N -1 1 260.684 3.061 20 0 CGADMM COc1cc(Nc2cc([O-])c(F)c(F)c2)ccc1O ZINC001174544351 809075927 /nfs/dbraw/zinc/07/59/27/809075927.db2.gz PJDUEMMOLIBCQT-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM COc1cc(Nc2cc(F)c([O-])cc2F)ccc1O ZINC001174544977 809076933 /nfs/dbraw/zinc/07/69/33/809076933.db2.gz ZMAFCVHPRULGRA-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM CCOC(=O)c1cc([N-]c2c(F)ccc(F)c2F)on1 ZINC001175028662 809245417 /nfs/dbraw/zinc/24/54/17/809245417.db2.gz SYPVKOXEMNXQOM-UHFFFAOYSA-N -1 1 286.209 3.012 20 0 CGADMM CCOc1cc(F)c([N-]c2nonc2C2CC2)cc1F ZINC001175053501 809254252 /nfs/dbraw/zinc/25/42/52/809254252.db2.gz CPDDGQZYZXTNCH-UHFFFAOYSA-N -1 1 281.262 3.368 20 0 CGADMM COc1cccc(O)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213386407 815274036 /nfs/dbraw/zinc/27/40/36/815274036.db2.gz AXJMMKQMTRIVGM-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM CSc1nc(Nc2ccc(C)cc2F)cc(=O)[n-]1 ZINC001175320197 809353636 /nfs/dbraw/zinc/35/36/36/809353636.db2.gz AATOCGJSHDGTGO-UHFFFAOYSA-N -1 1 265.313 3.095 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cnc2cccnc2c1 ZINC001175360027 809378536 /nfs/dbraw/zinc/37/85/36/809378536.db2.gz UJKUBULNTHYQOP-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM CSc1nc(Nc2ccc3ncccc3c2)cc(=O)[n-]1 ZINC001175373134 809383170 /nfs/dbraw/zinc/38/31/70/809383170.db2.gz WTXQAHAGZZDEMU-UHFFFAOYSA-N -1 1 284.344 3.196 20 0 CGADMM COc1ncc([N-]c2cc(CC(C)C)no2)s1 ZINC001175386555 809386009 /nfs/dbraw/zinc/38/60/09/809386009.db2.gz CLPHUOPSOXJOQH-UHFFFAOYSA-N -1 1 253.327 3.082 20 0 CGADMM CCCN(Cc1ccc(C)cc1)C(=O)c1ccc([O-])cn1 ZINC001290594722 809410894 /nfs/dbraw/zinc/41/08/94/809410894.db2.gz MSGQDFGZWVWDPH-UHFFFAOYSA-N -1 1 284.359 3.148 20 0 CGADMM Cn1cc2cccc(Nc3ccnc(Cl)c3[O-])c2n1 ZINC001175459960 809414101 /nfs/dbraw/zinc/41/41/01/809414101.db2.gz JSSLUEWBDXFUTJ-UHFFFAOYSA-N -1 1 274.711 3.071 20 0 CGADMM CN(C(=O)c1ccc([O-])cn1)c1ccc(C(C)(C)C)cc1 ZINC001291973894 809425927 /nfs/dbraw/zinc/42/59/27/809425927.db2.gz QHRNRKJCMPHJSR-UHFFFAOYSA-N -1 1 284.359 3.361 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(F)c([O-])c2)[C@@H](C)C1 ZINC001293495340 809449864 /nfs/dbraw/zinc/44/98/64/809449864.db2.gz DBNOBNDBVCZAAT-NRUUGDAUSA-N -1 1 265.328 3.086 20 0 CGADMM CN1CCC=C(Nc2c(Cl)ccc([O-])c2Cl)C1 ZINC001175579927 809459476 /nfs/dbraw/zinc/45/94/76/809459476.db2.gz IEOGEOWTTMTQBK-UHFFFAOYSA-N -1 1 273.163 3.330 20 0 CGADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1cccs1 ZINC001296472032 809504971 /nfs/dbraw/zinc/50/49/71/809504971.db2.gz WWSQCKOJSNUXAK-QMMMGPOBSA-N -1 1 265.309 3.084 20 0 CGADMM CN(C(=O)c1ccc([O-])c(F)c1)c1cccc2cccnc21 ZINC001296856519 809509815 /nfs/dbraw/zinc/50/98/15/809509815.db2.gz FHTBADVPFJXTEV-UHFFFAOYSA-N -1 1 296.301 3.356 20 0 CGADMM CC[C@H](C)[C@H](NC(=O)c1cccc([O-])c1F)C(F)(F)F ZINC001297105019 809513285 /nfs/dbraw/zinc/51/32/85/809513285.db2.gz NBTMLNFYSSIWNC-CPCISQLKSA-N -1 1 293.260 3.238 20 0 CGADMM C/C=C/C=C\C(=O)Nc1cccc([O-])c1Br ZINC001298219755 809530351 /nfs/dbraw/zinc/53/03/51/809530351.db2.gz KZVRHOAJWIDOTG-HOJFPOIOSA-N -1 1 282.137 3.226 20 0 CGADMM COCCOc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001175787862 809542116 /nfs/dbraw/zinc/54/21/16/809542116.db2.gz JXZJLXHJWIZHET-UHFFFAOYSA-N -1 1 295.285 3.439 20 0 CGADMM Cc1cncc(/C=C\C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001298973646 809542091 /nfs/dbraw/zinc/54/20/91/809542091.db2.gz LOYYDYYQWGFBAY-IHWYPQMZSA-N -1 1 290.269 3.026 20 0 CGADMM Oc1ccccc1-c1cc([N-]c2cscn2)on1 ZINC001175941717 809577160 /nfs/dbraw/zinc/57/71/60/809577160.db2.gz VDOSYVQXAABWIZ-UHFFFAOYSA-N -1 1 259.290 3.247 20 0 CGADMM Cc1cnc(C(=O)NC2(C)CCC(C)(C)CC2)c([O-])c1 ZINC001302460943 809594306 /nfs/dbraw/zinc/59/43/06/809594306.db2.gz NHTPYQCPLQDSJH-UHFFFAOYSA-N -1 1 276.380 3.184 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1c[nH]c2cc(=O)ccc-2c1 ZINC001302487151 809595210 /nfs/dbraw/zinc/59/52/10/809595210.db2.gz WDCZCGULNZYSGV-UHFFFAOYSA-N -1 1 298.273 3.037 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccc(C(F)F)nc1 ZINC001302484312 809595966 /nfs/dbraw/zinc/59/59/66/809595966.db2.gz BFLHDACFUCCHGW-UHFFFAOYSA-N -1 1 282.221 3.116 20 0 CGADMM COc1ccccc1[C@@H](C)NC(=O)c1cccc([O-])c1F ZINC001302687930 809599319 /nfs/dbraw/zinc/59/93/19/809599319.db2.gz WSPDYPJFPHRKTM-SNVBAGLBSA-N -1 1 289.306 3.031 20 0 CGADMM [O-]c1cc(Nc2ccc3nonc3c2)c(F)cc1Cl ZINC001176326335 809668714 /nfs/dbraw/zinc/66/87/14/809668714.db2.gz VXDMGDFGFXMXEI-UHFFFAOYSA-N -1 1 279.658 3.465 20 0 CGADMM Fc1ccc(-c2noc(-c3cnc(C(F)(F)F)[n-]3)n2)cc1 ZINC001213591623 815308430 /nfs/dbraw/zinc/30/84/30/815308430.db2.gz IWWPSYLIVQWIPZ-UHFFFAOYSA-N -1 1 298.199 3.285 20 0 CGADMM Fc1ccc(-c2noc(-c3c[n-]c(C(F)(F)F)n3)n2)cc1 ZINC001213591623 815308436 /nfs/dbraw/zinc/30/84/36/815308436.db2.gz IWWPSYLIVQWIPZ-UHFFFAOYSA-N -1 1 298.199 3.285 20 0 CGADMM Cc1ccncc1Nc1c(F)cc(F)c([O-])c1F ZINC001176661597 809737254 /nfs/dbraw/zinc/73/72/54/809737254.db2.gz ANDUSJKJCKATGP-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM Cc1ccc(CO)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176669093 809738110 /nfs/dbraw/zinc/73/81/10/809738110.db2.gz DFJJKMLUZBQZQL-UHFFFAOYSA-N -1 1 283.249 3.354 20 0 CGADMM Cc1c(CO)cccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672059 809739586 /nfs/dbraw/zinc/73/95/86/809739586.db2.gz CSJUXYVARRVYRM-UHFFFAOYSA-N -1 1 283.249 3.354 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2c(O)cccc2F)c1F ZINC001176672535 809740073 /nfs/dbraw/zinc/74/00/73/809740073.db2.gz ZWQOWNBWLFGGET-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM COc1ccc(CO)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176671240 809740143 /nfs/dbraw/zinc/74/01/43/809740143.db2.gz VKCQKULIMNIDOF-UHFFFAOYSA-N -1 1 299.248 3.054 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cccnc1N1CCCC1 ZINC001176749369 809758242 /nfs/dbraw/zinc/75/82/42/809758242.db2.gz FADXMTARUBFAEC-UHFFFAOYSA-N -1 1 290.754 3.179 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)Cc2ccccc21 ZINC001177106118 809781430 /nfs/dbraw/zinc/78/14/30/809781430.db2.gz YFHXKSYGDVSMIR-LLVKDONJSA-N -1 1 285.318 3.291 20 0 CGADMM CCC[C@](C)(NC(=O)c1ccc([O-])cn1)c1ccccc1 ZINC001180683746 810018303 /nfs/dbraw/zinc/01/83/03/810018303.db2.gz VAUKBWVTEUOTGV-KRWDZBQOSA-N -1 1 284.359 3.233 20 0 CGADMM COCC(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001181943828 810085039 /nfs/dbraw/zinc/08/50/39/810085039.db2.gz CCOYLWWYXJPLFI-UHFFFAOYSA-N -1 1 291.269 3.022 20 0 CGADMM O=C(Nc1ccncc1[O-])c1cccc(C2CCCC2)c1 ZINC001182625661 810117996 /nfs/dbraw/zinc/11/79/96/810117996.db2.gz AUNHNNXIGXAMBE-UHFFFAOYSA-N -1 1 282.343 3.119 20 0 CGADMM CC1(C)CC[C@@H](C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC001185160079 810239944 /nfs/dbraw/zinc/23/99/44/810239944.db2.gz ZZECGERRQYMTMO-GFCCVEGCSA-N -1 1 299.374 3.343 20 0 CGADMM O=C(Nc1ccc(C(F)F)cn1)c1ccc([O-])c(F)c1 ZINC001186208690 810321095 /nfs/dbraw/zinc/32/10/95/810321095.db2.gz GPGIFJNVJJTEQD-UHFFFAOYSA-N -1 1 282.221 3.116 20 0 CGADMM CC(C)c1cccc(NC(=O)c2ccc([O-])cc2F)n1 ZINC001186311203 810326529 /nfs/dbraw/zinc/32/65/29/810326529.db2.gz NPMMFCRZGLIKJU-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM O=C(NCCC(F)(F)F)Nc1cccc([O-])c1Cl ZINC001187010658 810378489 /nfs/dbraw/zinc/37/84/89/810378489.db2.gz NAJJQWYVIBAVQQ-UHFFFAOYSA-N -1 1 282.649 3.120 20 0 CGADMM [O-]c1ccc(CNc2ncncc2Cl)cc1Cl ZINC001187510377 810402135 /nfs/dbraw/zinc/40/21/35/810402135.db2.gz ZOOHRCAOQKNGRC-UHFFFAOYSA-N -1 1 270.119 3.101 20 0 CGADMM O=C(Nc1cccc2cc[nH]c21)c1ncc(C(F)(F)F)[n-]1 ZINC001188289363 810474085 /nfs/dbraw/zinc/47/40/85/810474085.db2.gz UHAWQEWGEAOKQE-UHFFFAOYSA-N -1 1 294.236 3.162 20 0 CGADMM O=C(Nc1cccc2cc[nH]c21)c1nc(C(F)(F)F)c[n-]1 ZINC001188289363 810474089 /nfs/dbraw/zinc/47/40/89/810474089.db2.gz UHAWQEWGEAOKQE-UHFFFAOYSA-N -1 1 294.236 3.162 20 0 CGADMM O=C(NC1CCC(c2ccccc2)CC1)c1ccncc1[O-] ZINC001188637379 810496805 /nfs/dbraw/zinc/49/68/05/810496805.db2.gz VSQMVGASWQVGGL-UHFFFAOYSA-N -1 1 296.370 3.243 20 0 CGADMM Cc1cnc(SCc2ccsc2Cl)[n-]c1=O ZINC001189399390 810568174 /nfs/dbraw/zinc/56/81/74/810568174.db2.gz NSQLEWFYEXADQF-UHFFFAOYSA-N -1 1 272.782 3.498 20 0 CGADMM C=Cc1ccc(NC(=O)c2c([O-])cc(OC)cc2OC)cc1 ZINC001190137370 810610155 /nfs/dbraw/zinc/61/01/55/810610155.db2.gz KQNXDCASFIPVJU-UHFFFAOYSA-N -1 1 299.326 3.305 20 0 CGADMM CC(C)(C)c1cc(C(=O)NC#N)c([O-])c(C(C)(C)C)c1 ZINC001190963111 810658969 /nfs/dbraw/zinc/65/89/69/810658969.db2.gz ACSGAUWKSSTCJQ-UHFFFAOYSA-N -1 1 274.364 3.198 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])NC1CCCCCC1 ZINC001191267855 810694915 /nfs/dbraw/zinc/69/49/15/810694915.db2.gz CYXCIEBZPHWATI-UHFFFAOYSA-N -1 1 266.316 3.376 20 0 CGADMM Cc1ccc(O)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001214350497 815399417 /nfs/dbraw/zinc/39/94/17/815399417.db2.gz ZGVVDUXDNUKIDU-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])N[C@@H]1CCc2ccccc21 ZINC001192990041 810839835 /nfs/dbraw/zinc/83/98/35/810839835.db2.gz UXPRIVDFBAZHGZ-CYBMUJFWSA-N -1 1 286.306 3.340 20 0 CGADMM CCCCCOC(=O)Nc1c(F)cc([O-])cc1F ZINC001193773772 810953104 /nfs/dbraw/zinc/95/31/04/810953104.db2.gz WVHQZXWGXZNMTF-UHFFFAOYSA-N -1 1 259.252 3.409 20 0 CGADMM Cc1ccc(Nc2cc(F)c([O-])cc2F)c(CO)c1 ZINC001214462389 815413269 /nfs/dbraw/zinc/41/32/69/815413269.db2.gz NJRUITYYKIGWIM-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM [O-]c1c(F)cc(Nc2cnc(Cl)nc2)cc1Cl ZINC001214479593 815415390 /nfs/dbraw/zinc/41/53/90/815415390.db2.gz AYPHDNIQFIDZOR-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM O=C1NCc2cc(Nc3cc(F)c([O-])c(Cl)c3)ccc21 ZINC001214488561 815417821 /nfs/dbraw/zinc/41/78/21/815417821.db2.gz GPZRPUKTZXQREG-UHFFFAOYSA-N -1 1 292.697 3.172 20 0 CGADMM O=C(Nc1cc(Cl)c(Cl)cc1[O-])OCCF ZINC001194967759 811178838 /nfs/dbraw/zinc/17/88/38/811178838.db2.gz UHMWOJAKKLWRKW-UHFFFAOYSA-N -1 1 268.071 3.217 20 0 CGADMM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cnc2Cl)CC(C)(C)C1 ZINC001195311896 811240873 /nfs/dbraw/zinc/24/08/73/811240873.db2.gz CPCYDCZSBCCIQR-ZJUUUORDSA-N -1 1 296.798 3.385 20 0 CGADMM Cc1ccc([O-])c(C(=O)N(C)C(C)(C)Cc2ccccc2)n1 ZINC001195325329 811241989 /nfs/dbraw/zinc/24/19/89/811241989.db2.gz ARYTXLNMGCYAON-UHFFFAOYSA-N -1 1 298.386 3.189 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2cc(Cl)cc(Cl)n2)n1 ZINC001195319965 811242683 /nfs/dbraw/zinc/24/26/83/811242683.db2.gz WFGSWNOOLFAHMP-UHFFFAOYSA-N -1 1 298.129 3.050 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cnc(CC(C)C)cc1C ZINC001195458686 811256454 /nfs/dbraw/zinc/25/64/54/811256454.db2.gz YZHRYPBEGBHQDR-UHFFFAOYSA-N -1 1 295.408 3.031 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(F)c(C)c1Cl ZINC001195491439 811262302 /nfs/dbraw/zinc/26/23/02/811262302.db2.gz XKRADUKJNRMZNR-UHFFFAOYSA-N -1 1 290.747 3.230 20 0 CGADMM [O-]c1cc(F)c(NC(=S)NCc2ccccc2)cc1F ZINC001195630983 811271365 /nfs/dbraw/zinc/27/13/65/811271365.db2.gz GNAQTAAGXKVZDA-UHFFFAOYSA-N -1 1 294.326 3.157 20 0 CGADMM CCCC/C=C/[C@H](C)Oc1[n-]c(=S)ncc1F ZINC001227387533 817637752 /nfs/dbraw/zinc/63/77/52/817637752.db2.gz ZESOSLYKHUCLHD-UCUJLANTSA-N -1 1 256.346 3.418 20 0 CGADMM Cc1cc(CO)cc(C)c1[N-]c1nnc(-c2ccco2)o1 ZINC001214946912 815467486 /nfs/dbraw/zinc/46/74/86/815467486.db2.gz VTXQCWRJHYEFID-UHFFFAOYSA-N -1 1 285.303 3.182 20 0 CGADMM [O-]c1cc(Cl)c(Cl)cc1NC(=S)NC1CC1 ZINC001200630613 811721399 /nfs/dbraw/zinc/72/13/99/811721399.db2.gz QOOSFQLTYIANQH-UHFFFAOYSA-N -1 1 277.176 3.148 20 0 CGADMM [O-]c1cc(F)c(F)cc1NC(=S)Nc1ccccc1 ZINC001200838726 811752092 /nfs/dbraw/zinc/75/20/92/811752092.db2.gz HVTZPDVEWPIHOQ-UHFFFAOYSA-N -1 1 280.299 3.479 20 0 CGADMM COc1ccccc1NC(=O)Nc1c([O-])cccc1F ZINC001202124472 812020158 /nfs/dbraw/zinc/02/01/58/812020158.db2.gz HOCOQCKRFZUWDN-UHFFFAOYSA-N -1 1 276.267 3.184 20 0 CGADMM CCOC(=O)c1cnoc1[N-]c1cccc(Cl)c1F ZINC001203032570 812220792 /nfs/dbraw/zinc/22/07/92/812220792.db2.gz RSNJCXVNJSIEMD-UHFFFAOYSA-N -1 1 284.674 3.387 20 0 CGADMM CC(C)(O)C=CNc1c(Cl)ccc([O-])c1Cl ZINC001203220007 812269000 /nfs/dbraw/zinc/26/90/00/812269000.db2.gz HKXJRGSNCUZEND-AATRIKPKSA-N -1 1 262.136 3.396 20 0 CGADMM CSc1ccc(Nc2cc(=O)[n-]c(N(C)C)n2)c(C)c1 ZINC001215475581 815523100 /nfs/dbraw/zinc/52/31/00/815523100.db2.gz OCAQHYCLAXZKFO-UHFFFAOYSA-N -1 1 290.392 3.022 20 0 CGADMM CSc1nc(Nc2cc(F)cc3[nH]ccc32)cc(=O)[n-]1 ZINC001203727816 812443383 /nfs/dbraw/zinc/44/33/83/812443383.db2.gz UNVIFJCSLJYJSX-UHFFFAOYSA-N -1 1 290.323 3.268 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc3c2CCO3)cc1F ZINC001215574406 815538379 /nfs/dbraw/zinc/53/83/79/815538379.db2.gz SHBZHPTUQRFEFU-UHFFFAOYSA-N -1 1 263.243 3.349 20 0 CGADMM O=C1OCc2cc(Nc3cc(F)c([O-])cc3F)ccc21 ZINC001215572023 815537115 /nfs/dbraw/zinc/53/71/15/815537115.db2.gz SJNYPHVKSGPOND-UHFFFAOYSA-N -1 1 277.226 3.084 20 0 CGADMM CCCOc1ccc(C)c(-n2[n-]c(=O)c3cc(N)ccc32)c1 ZINC001215588893 815543828 /nfs/dbraw/zinc/54/38/28/815543828.db2.gz VZHQCALYZQXCGB-UHFFFAOYSA-N -1 1 297.358 3.411 20 0 CGADMM Fc1cccc(-c2cc([N-]c3cnn4cccnc34)on2)c1 ZINC001205959054 813146470 /nfs/dbraw/zinc/14/64/70/813146470.db2.gz QMKLEWZGLYVONF-UHFFFAOYSA-N -1 1 295.277 3.267 20 0 CGADMM O=c1ccn(-c2ccc(Nc3ccccc3O)cc2)[n-]1 ZINC001206247475 813253795 /nfs/dbraw/zinc/25/37/95/813253795.db2.gz QZDCQPWQWXDFHM-UHFFFAOYSA-N -1 1 267.288 3.027 20 0 CGADMM CC(C)Oc1ccccc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001210023761 814250729 /nfs/dbraw/zinc/25/07/29/814250729.db2.gz NFNILYCIIOAKBU-UHFFFAOYSA-N -1 1 283.331 3.101 20 0 CGADMM Fc1cccc([N-]c2nonc2C2CC2)c1Cl ZINC001210541080 814515988 /nfs/dbraw/zinc/51/59/88/814515988.db2.gz HDTWXXLIVUFRQZ-UHFFFAOYSA-N -1 1 253.664 3.483 20 0 CGADMM CC(=O)c1cc(Nc2cc(Cl)c([O-])cc2Cl)ccn1 ZINC001210598096 814548568 /nfs/dbraw/zinc/54/85/68/814548568.db2.gz RWISNRPLEYWHLC-UHFFFAOYSA-N -1 1 297.141 3.462 20 0 CGADMM CSc1nc(Nc2cnc3sccc3c2)cc(=O)[n-]1 ZINC001210691526 814585779 /nfs/dbraw/zinc/58/57/79/814585779.db2.gz CIOZBHZHKKTRCN-UHFFFAOYSA-N -1 1 290.373 3.257 20 0 CGADMM Cc1nc2[nH]ccc2c(-c2cccc([O-])c2Cl)n1 ZINC001242798338 823135752 /nfs/dbraw/zinc/13/57/52/823135752.db2.gz SOTZFLKTBIMSBK-UHFFFAOYSA-N -1 1 259.696 3.244 20 0 CGADMM Cc1nc(-c2noc(-c3cc(F)ccc3[O-])n2)ccc1F ZINC001215769959 815584887 /nfs/dbraw/zinc/58/48/87/815584887.db2.gz XQNVEABHYSSREY-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM O=S1(=O)Cc2cccc(-c3cccc([O-])c3Cl)c2C1 ZINC001242799474 823136264 /nfs/dbraw/zinc/13/62/64/823136264.db2.gz NCHGSFRPNLDLCY-UHFFFAOYSA-N -1 1 294.759 3.141 20 0 CGADMM COC(=O)c1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242799923 823136433 /nfs/dbraw/zinc/13/64/33/823136433.db2.gz HYMCRWCEZQWVMN-UHFFFAOYSA-N -1 1 262.692 3.499 20 0 CGADMM COc1cncc(OC)c1-c1cccc([O-])c1Cl ZINC001242800096 823136478 /nfs/dbraw/zinc/13/64/78/823136478.db2.gz BYLDMQPLITWVHS-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM NC(=O)Nc1cccc(-c2cccc([O-])c2Cl)c1 ZINC001242801080 823137143 /nfs/dbraw/zinc/13/71/43/823137143.db2.gz XNVOBBAWCLIYMM-UHFFFAOYSA-N -1 1 262.696 3.203 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1cnccc1Cl ZINC001211208692 814848472 /nfs/dbraw/zinc/84/84/72/814848472.db2.gz GWCCMQVFOPBXPR-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM O=C1CCN1c1cccc(-c2cccc([O-])c2Cl)c1 ZINC001242802423 823137764 /nfs/dbraw/zinc/13/77/64/823137764.db2.gz GNPNBVIBDLRLLO-UHFFFAOYSA-N -1 1 273.719 3.449 20 0 CGADMM COc1ccnc(F)c1-c1cccc([O-])c1Cl ZINC001242802547 823137833 /nfs/dbraw/zinc/13/78/33/823137833.db2.gz BLVRGMLWBNQDOG-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM O=c1cc(-c2cccc([O-])c2Cl)ccn1CC1CC1 ZINC001242802123 823137993 /nfs/dbraw/zinc/13/79/93/823137993.db2.gz RNZCYXYZUSVOBD-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM O=c1cc(-c2cccc([O-])c2Cl)ccn1-c1ccccn1 ZINC001242802026 823138045 /nfs/dbraw/zinc/13/80/45/823138045.db2.gz MZWANDSJJHSNDN-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM Cn1cncc1Nc1ccc2[n-]c(=S)sc2c1 ZINC001211251040 814861728 /nfs/dbraw/zinc/86/17/28/814861728.db2.gz WJALNQPYKSTXQD-UHFFFAOYSA-N -1 1 262.363 3.062 20 0 CGADMM O=C1CCCN1c1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211339401 814881696 /nfs/dbraw/zinc/88/16/96/814881696.db2.gz OEGVWTMBWOATQZ-UHFFFAOYSA-N -1 1 289.281 3.464 20 0 CGADMM Cc1cn2c(cccc2-c2cc(F)c([O-])cc2F)n1 ZINC001211338327 814881894 /nfs/dbraw/zinc/88/18/94/814881894.db2.gz CJWRNYDTYUCJLI-UHFFFAOYSA-N -1 1 260.243 3.294 20 0 CGADMM Cn1cnc2cc(-c3cc(F)c([O-])cc3F)ccc21 ZINC001211340677 814882054 /nfs/dbraw/zinc/88/20/54/814882054.db2.gz XRGSNMZVYPUHAZ-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM COCOc1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001211564392 814908644 /nfs/dbraw/zinc/90/86/44/814908644.db2.gz AUIFMCWWBGYXIA-UHFFFAOYSA-N -1 1 281.258 3.397 20 0 CGADMM CCc1cc(Nc2ccc(F)c(F)c2[O-])ccc1CO ZINC001216110110 815699231 /nfs/dbraw/zinc/69/92/31/815699231.db2.gz RIWAVGWDEBSBKE-UHFFFAOYSA-N -1 1 279.286 3.469 20 0 CGADMM CC(=O)c1ccccc1-c1noc(-c2cc([O-])cc(F)c2)n1 ZINC001216339218 815790829 /nfs/dbraw/zinc/79/08/29/815790829.db2.gz DWGGUCSVQSYJFI-UHFFFAOYSA-N -1 1 298.273 3.451 20 0 CGADMM CC(=O)c1cccc(-c2noc(-c3cc(O)ccc3[O-])n2)c1 ZINC001216735456 815894496 /nfs/dbraw/zinc/89/44/96/815894496.db2.gz LDMPZAUBAUCWMG-UHFFFAOYSA-N -1 1 296.282 3.017 20 0 CGADMM Cc1cncc(-c2noc(-c3cc([O-])cc(F)c3F)n2)c1 ZINC001216924514 815901256 /nfs/dbraw/zinc/90/12/56/815901256.db2.gz NYFQJSDPYCSZHR-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1cccc(-c2noc(-c3c(C)cc(O)cc3[O-])n2)c1 ZINC001216985573 815905721 /nfs/dbraw/zinc/90/57/21/815905721.db2.gz FERWESXIJJNTJV-UHFFFAOYSA-N -1 1 282.299 3.432 20 0 CGADMM [O-]c1c(-c2nc(-c3ccncc3)no2)ccc2cccnc21 ZINC001217142300 815911639 /nfs/dbraw/zinc/91/16/39/815911639.db2.gz ADFRPLXOHCIRFA-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM COc1c(F)ccc(-c2cc(F)c([O-])cc2F)c1OC ZINC001222083053 816343246 /nfs/dbraw/zinc/34/32/46/816343246.db2.gz LDCNBFJETZMUNA-UHFFFAOYSA-N -1 1 284.233 3.494 20 0 CGADMM Cc1cc(-c2ccc(-c3nnn[n-]3)nc2)c(F)cc1Cl ZINC001222231739 816379627 /nfs/dbraw/zinc/37/96/27/816379627.db2.gz KCFJCOFYTKSUNF-UHFFFAOYSA-N -1 1 289.701 3.030 20 0 CGADMM Cc1cc(-c2ccc(-c3nn[n-]n3)nc2)c(F)cc1Cl ZINC001222231739 816379634 /nfs/dbraw/zinc/37/96/34/816379634.db2.gz KCFJCOFYTKSUNF-UHFFFAOYSA-N -1 1 289.701 3.030 20 0 CGADMM CCCC[C@H](CC)C[C@@H](C)OCC[P@](=O)([O-])O ZINC001224601316 816831083 /nfs/dbraw/zinc/83/10/83/816831083.db2.gz GGZKVWYYBKAHJQ-NEPJUHHUSA-N -1 1 266.318 3.176 20 0 CGADMM CC[C@@H](C)Oc1nccnc1-c1ccc(F)c([O-])c1 ZINC001243050694 823227967 /nfs/dbraw/zinc/22/79/67/823227967.db2.gz QRHKHYLJEDHHIK-SECBINFHSA-N -1 1 262.284 3.166 20 0 CGADMM COc1ccc2nc(-c3ccc(F)c([O-])c3)ncc2c1 ZINC001243054401 823230031 /nfs/dbraw/zinc/23/00/31/823230031.db2.gz OZQRMASNYDVNHO-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM C[C@H]1C[C@H](OCCCC[P@](=O)([O-])O)CC(C)(C)C1 ZINC001225018762 816932338 /nfs/dbraw/zinc/93/23/38/816932338.db2.gz HGRNYGQIVQDAJZ-RYUDHWBXSA-N -1 1 278.329 3.176 20 0 CGADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCC[P@](=O)([O-])O ZINC001225022669 816934180 /nfs/dbraw/zinc/93/41/80/816934180.db2.gz PZCSOOIDZOEIDC-HZSPNIEDSA-N -1 1 292.356 3.422 20 0 CGADMM CCCCC[C@@H](CC)Oc1nc(=O)[n-]cc1C(C)=O ZINC001226239704 817307311 /nfs/dbraw/zinc/30/73/11/817307311.db2.gz NRJYMQUXSLTZLK-LLVKDONJSA-N -1 1 266.341 3.123 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H]3CC[C@H](C)C3)c12 ZINC001226486657 817372843 /nfs/dbraw/zinc/37/28/43/817372843.db2.gz SRMDVJNMQIQUET-CABZTGNLSA-N -1 1 274.316 3.374 20 0 CGADMM Cc1ccc(C)c2c1CCC[C@H]2Oc1cnc[n-]c1=O ZINC001227049451 817543867 /nfs/dbraw/zinc/54/38/67/817543867.db2.gz USTFDBKCEOESBV-CYBMUJFWSA-N -1 1 270.332 3.255 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@H](C)c2ccc(F)cc2)c1Cl ZINC001227111391 817560791 /nfs/dbraw/zinc/56/07/91/817560791.db2.gz KWDIERPWWAQINB-MRVPVSSYSA-N -1 1 282.702 3.423 20 0 CGADMM CCC[C@H](Oc1cc([O-])ccc1C(=O)COC)C(C)C ZINC001227169685 817578398 /nfs/dbraw/zinc/57/83/98/817578398.db2.gz XSOZDFTUQNKOCH-HNNXBMFYSA-N -1 1 280.364 3.425 20 0 CGADMM Cc1cccc([C@H](C)Oc2[n-]c(=S)ncc2F)c1 ZINC001227383848 817637022 /nfs/dbraw/zinc/63/70/22/817637022.db2.gz SCQHQYBHJIQKHP-VIFPVBQESA-N -1 1 264.325 3.353 20 0 CGADMM Cc1ccc(OC[C@H](C)Oc2[n-]c(=S)ncc2F)cc1 ZINC001227385029 817637275 /nfs/dbraw/zinc/63/72/75/817637275.db2.gz FSDVZBKRZJWGSS-JTQLQIEISA-N -1 1 294.351 3.059 20 0 CGADMM C[C@H](Oc1[n-]c(=S)nc2cnccc21)C1CCC1 ZINC001227880806 817742336 /nfs/dbraw/zinc/74/23/36/817742336.db2.gz FLDLTGOHFVVLAC-QMMMGPOBSA-N -1 1 261.350 3.255 20 0 CGADMM COC1CCC(Oc2[n-]c(=S)nc3cnccc32)CC1 ZINC001227881297 817742368 /nfs/dbraw/zinc/74/23/68/817742368.db2.gz LIIBECWVMLEZBD-UHFFFAOYSA-N -1 1 291.376 3.024 20 0 CGADMM C[C@H](Oc1[n-]c(=S)nc2cnccc21)c1ccncc1 ZINC001227880909 817742446 /nfs/dbraw/zinc/74/24/46/817742446.db2.gz HENFCBXMRDZHOF-VIFPVBQESA-N -1 1 284.344 3.222 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1-c1ccc2cncn2c1 ZINC001243203787 823289158 /nfs/dbraw/zinc/28/91/58/823289158.db2.gz KSXSSPNTMCJCCR-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM Cc1cc(-c2cccc3cncn32)ccc1C(=O)[O-] ZINC001243215831 823296974 /nfs/dbraw/zinc/29/69/74/823296974.db2.gz YQXZWWJZMHTSCH-UHFFFAOYSA-N -1 1 252.273 3.008 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1OC(CC)CC ZINC001228560319 817939479 /nfs/dbraw/zinc/93/94/79/817939479.db2.gz MUUQBTQASXEUGY-UHFFFAOYSA-N -1 1 252.310 3.258 20 0 CGADMM C[C@H]1CN(Cc2ccc(F)c([O-])c2F)CCC1(F)F ZINC001232930506 818475357 /nfs/dbraw/zinc/47/53/57/818475357.db2.gz AROQLLUCKWJSIY-QMMMGPOBSA-N -1 1 277.261 3.148 20 0 CGADMM [O-]c1c(F)ccc(CN2CC[C@@H](CF)C(F)(F)C2)c1F ZINC001232932134 818476148 /nfs/dbraw/zinc/47/61/48/818476148.db2.gz WDYBMTLGIYDVEB-VIFPVBQESA-N -1 1 295.251 3.097 20 0 CGADMM C[N@H+](Cc1ccc(F)c([O-])c1F)C[C@H]1CC1(C)C ZINC001232936811 818477849 /nfs/dbraw/zinc/47/78/49/818477849.db2.gz GUHARKSFMOWPDK-SNVBAGLBSA-N -1 1 255.308 3.148 20 0 CGADMM Cc1cc([C@H]2CCCN2Cc2cc([O-])c(F)c(F)c2)no1 ZINC001232969512 818485236 /nfs/dbraw/zinc/48/52/36/818485236.db2.gz RDUWHPCSFKEDHV-CYBMUJFWSA-N -1 1 294.301 3.304 20 0 CGADMM [O-]c1cc(CN2CCc3ccc(F)cc3C2)cc(F)c1F ZINC001232972903 818486774 /nfs/dbraw/zinc/48/67/74/818486774.db2.gz FNQJUUAZZRHYQY-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM C[C@]1(F)CC[N@@H+](Cc2ccc([S-])cc2)C[C@@H]1F ZINC001233259058 818558586 /nfs/dbraw/zinc/55/85/86/818558586.db2.gz DUQFAHJBGDXEMN-STQMWFEESA-N -1 1 257.349 3.247 20 0 CGADMM C[C@]1(F)CCN(Cc2ccc([S-])cc2)C[C@@H]1F ZINC001233259058 818558593 /nfs/dbraw/zinc/55/85/93/818558593.db2.gz DUQFAHJBGDXEMN-STQMWFEESA-N -1 1 257.349 3.247 20 0 CGADMM [O-]c1ccc(-c2ccc3cccnc3n2)c(F)c1F ZINC001243342013 823355674 /nfs/dbraw/zinc/35/56/74/823355674.db2.gz YTSYIQZPSSZWSN-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOC(=O)Cc1cccc(-c2ccc([O-])c(F)c2F)c1 ZINC001243341957 823356286 /nfs/dbraw/zinc/35/62/86/823356286.db2.gz FZBVMPMLLINPJP-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM [O-]c1ccc(-c2cnc3ccncc3c2)c(F)c1F ZINC001243341453 823356356 /nfs/dbraw/zinc/35/63/56/823356356.db2.gz QPLIZAXTEOXQRD-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CC1(C)NC(=O)c2cc(-c3ccc([O-])c(F)c3F)ccc21 ZINC001243343647 823359053 /nfs/dbraw/zinc/35/90/53/823359053.db2.gz LBQSJYSYUNVENY-UHFFFAOYSA-N -1 1 289.281 3.316 20 0 CGADMM O=C1CCc2c(cccc2-c2ccc([O-])c(F)c2F)N1 ZINC001243343194 823359449 /nfs/dbraw/zinc/35/94/49/823359449.db2.gz SDUJPTUNYXIZMH-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM CCCNC(=O)c1cccnc1-c1c(F)ccc(C)c1[O-] ZINC001236394187 819449105 /nfs/dbraw/zinc/44/91/05/819449105.db2.gz ZYEJVSFSMQLZHC-UHFFFAOYSA-N -1 1 288.322 3.042 20 0 CGADMM Cc1c2cc[nH]c2ncc1-c1cc(F)cc(F)c1[O-] ZINC001243503669 823422207 /nfs/dbraw/zinc/42/22/07/823422207.db2.gz JUNOZIZPARQPDQ-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccccc1C1OCCO1 ZINC001243504089 823422447 /nfs/dbraw/zinc/42/24/47/823422447.db2.gz JHGLFJMNWVZYIS-UHFFFAOYSA-N -1 1 278.254 3.383 20 0 CGADMM CCOCc1cncc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243505066 823423013 /nfs/dbraw/zinc/42/30/13/823423013.db2.gz AWFYSBBRMYWVSD-UHFFFAOYSA-N -1 1 265.259 3.269 20 0 CGADMM COC(=O)c1cc(C)cc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243504640 823423415 /nfs/dbraw/zinc/42/34/15/823423415.db2.gz NPBGRBVKJCDLHS-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccccc1N1CCOCC1 ZINC001243506601 823423899 /nfs/dbraw/zinc/42/38/99/823423899.db2.gz ZKDLBAGRVZMLMM-UHFFFAOYSA-N -1 1 291.297 3.174 20 0 CGADMM Cc1c[nH]c2nc(-c3ccc(Cl)c([O-])c3)ncc12 ZINC001243576364 823451414 /nfs/dbraw/zinc/45/14/14/823451414.db2.gz MBUZDKNRHWEKSG-UHFFFAOYSA-N -1 1 259.696 3.244 20 0 CGADMM CCOC(=O)c1cccc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243576821 823451563 /nfs/dbraw/zinc/45/15/63/823451563.db2.gz OQDPHOYATDAIFO-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM CCN(CC)c1ncc(-c2ccc(Cl)c([O-])c2)cn1 ZINC001243584240 823455366 /nfs/dbraw/zinc/45/53/66/823455366.db2.gz UCOXZEWXIVAUEE-UHFFFAOYSA-N -1 1 277.755 3.349 20 0 CGADMM O=C1NCc2ccc(-c3ccc(Cl)c([O-])c3)cc2N1 ZINC001243584671 823456015 /nfs/dbraw/zinc/45/60/15/823456015.db2.gz XQTZLSZNLKQSHT-UHFFFAOYSA-N -1 1 274.707 3.348 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccc(O)cc3C)ccc2[n-]1 ZINC001240645882 821214640 /nfs/dbraw/zinc/21/46/40/821214640.db2.gz PBZKDGBBJKRHLV-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccc(O)cc3C)cc2[n-]1 ZINC001240645882 821214648 /nfs/dbraw/zinc/21/46/48/821214648.db2.gz PBZKDGBBJKRHLV-UHFFFAOYSA-N -1 1 296.326 3.421 20 0 CGADMM Cc1cc(C(=O)OC(C)C)cnc1-c1cc(F)ccc1[O-] ZINC001240694281 821250613 /nfs/dbraw/zinc/25/06/13/821250613.db2.gz UWVUOZGOQNVUAM-UHFFFAOYSA-N -1 1 289.306 3.467 20 0 CGADMM COc1cc(C(=O)[O-])ccc1-c1cc2nc[nH]c2cc1C ZINC001240735395 821288402 /nfs/dbraw/zinc/28/84/02/821288402.db2.gz XNJTYFNVFDVFES-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM CSc1cc(-c2c(F)cc([O-])cc2F)nc(C)n1 ZINC001241117774 821573306 /nfs/dbraw/zinc/57/33/06/821573306.db2.gz YCCYRQXCPWEFKY-UHFFFAOYSA-N -1 1 268.288 3.158 20 0 CGADMM COc1ncc(-c2c(F)cc([O-])cc2F)cc1C ZINC001241119373 821574783 /nfs/dbraw/zinc/57/47/83/821574783.db2.gz KLUALZXSLVAIHU-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM Nc1noc2cc(-c3c(F)cc([O-])cc3F)ccc12 ZINC001241121161 821576996 /nfs/dbraw/zinc/57/69/96/821576996.db2.gz CLQLSMRSVJQWBU-UHFFFAOYSA-N -1 1 262.215 3.061 20 0 CGADMM CSc1cncc(-c2c(F)cc([O-])cc2F)c1 ZINC001241122512 821578255 /nfs/dbraw/zinc/57/82/55/821578255.db2.gz QUQHWLBCPRECGG-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(N3CCCC3)nc2)c(F)c1 ZINC001241122041 821578581 /nfs/dbraw/zinc/57/85/81/821578581.db2.gz JTFMTTLTBSFGCP-UHFFFAOYSA-N -1 1 276.286 3.333 20 0 CGADMM O=c1cc(-c2c(F)cc([O-])cc2F)ccn1-c1ccccc1 ZINC001241121933 821579037 /nfs/dbraw/zinc/57/90/37/821579037.db2.gz UBPVVEWDZAAHER-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM O=C1Nc2cccc(-c3c(F)cc([O-])cc3F)c2C12CC2 ZINC001241121921 821579226 /nfs/dbraw/zinc/57/92/26/821579226.db2.gz SQXIJVAHJZVWQJ-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM CSc1cc(C)nc(-c2cc([O-])cc(F)c2)n1 ZINC001241255809 821675854 /nfs/dbraw/zinc/67/58/54/821675854.db2.gz DZMJAAQWXZYMIG-UHFFFAOYSA-N -1 1 250.298 3.019 20 0 CGADMM CC(C)(C)c1nccc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290733 821707888 /nfs/dbraw/zinc/70/78/88/821707888.db2.gz CIABITYVXLIUOZ-UHFFFAOYSA-N -1 1 264.275 3.425 20 0 CGADMM CCOc1ccnc(-c2c(F)ccc([O-])c2F)c1 ZINC001241291526 821708480 /nfs/dbraw/zinc/70/84/80/821708480.db2.gz OKALDZTVGZSUNM-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM CCOc1nccc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242131710 822888875 /nfs/dbraw/zinc/88/88/75/822888875.db2.gz OSIQSPIDYCGFFH-UHFFFAOYSA-N -1 1 284.237 3.267 20 0 CGADMM Cc1ncc(F)c(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151656 822895798 /nfs/dbraw/zinc/89/57/98/822895798.db2.gz STIYIHMJRLQBDL-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM COc1ncc2cc[nH]c2c1-c1ccc(F)cc1[O-] ZINC001242218612 822915416 /nfs/dbraw/zinc/91/54/16/822915416.db2.gz HNTWVBCNNTVJQE-UHFFFAOYSA-N -1 1 258.252 3.083 20 0 CGADMM COC(=O)c1c(F)c(-c2ccc(F)cc2[O-])ccc1OC ZINC001242219339 822915508 /nfs/dbraw/zinc/91/55/08/822915508.db2.gz DWKVDRQHLPQWSO-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM O=c1cc(-c2cccc(Cl)c2[O-])cnn1CC1CCC1 ZINC001242366778 822969563 /nfs/dbraw/zinc/96/95/63/822969563.db2.gz CCPXMUYJMRIDCK-UHFFFAOYSA-N -1 1 290.750 3.069 20 0 CGADMM NC(=O)c1cnc2ccc(-c3cccc(Cl)c3[O-])cc2c1 ZINC001242367821 822969696 /nfs/dbraw/zinc/96/96/96/822969696.db2.gz TTWGBCXHOXXFBC-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM CC(C)c1noc([N-][C@@H](c2cnn(C)c2)c2ccccc2)n1 ZINC001342211345 936462809 /nfs/dbraw/zinc/46/28/09/936462809.db2.gz DYEQVENBHIZEQD-CQSZACIVSA-N -1 1 297.362 3.128 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(-c2ccccc2)s1 ZINC001351001856 937005968 /nfs/dbraw/zinc/00/59/68/937005968.db2.gz YLAIMEKPPAKTNE-UHFFFAOYSA-N -1 1 299.355 3.405 20 0 CGADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(C2CCCC2)cc1 ZINC001364095847 937232722 /nfs/dbraw/zinc/23/27/22/937232722.db2.gz UXAIHRSTOQWSRQ-UHFFFAOYSA-N -1 1 271.320 3.025 20 0 CGADMM CC(C)c1oncc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001446466421 928555984 /nfs/dbraw/zinc/55/59/84/928555984.db2.gz FFDUFQGQXDDQAR-UHFFFAOYSA-N -1 1 280.711 3.409 20 0 CGADMM CC(C)(C)CCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001441200888 937337420 /nfs/dbraw/zinc/33/74/20/937337420.db2.gz SAPJOUHNVDGKMT-UHFFFAOYSA-N -1 1 287.359 3.417 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CCCCC2(C)C)c1 ZINC001445709963 937359300 /nfs/dbraw/zinc/35/93/00/937359300.db2.gz IPFUGOSFHGAPLV-CQSZACIVSA-N -1 1 289.375 3.212 20 0 CGADMM C[C@H]1CCCC[C@]1(C)NC(=O)c1ccc(F)c([O-])c1 ZINC001450916307 937387933 /nfs/dbraw/zinc/38/79/33/937387933.db2.gz WODIOBDLHPKXRP-BONVTDFDSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1ccc2ccnc(NC(=O)c3ccc(O)cc3[O-])c2c1 ZINC001452615286 937397524 /nfs/dbraw/zinc/39/75/24/937397524.db2.gz QWPGHEVUZRLAFC-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM C[C@@H]1CC(C(=O)[N-]Oc2ccc(F)cc2)C[C@@H](C)C1 ZINC001453034253 937400313 /nfs/dbraw/zinc/40/03/13/937400313.db2.gz OIDJNHGYZGOSSF-QWRGUYRKSA-N -1 1 265.328 3.308 20 0 CGADMM CCCN(C)c1ccccc1NC(=O)c1ccccc1[O-] ZINC001454490712 937408796 /nfs/dbraw/zinc/40/87/96/937408796.db2.gz QRNAJJMBMWIUHA-UHFFFAOYSA-N -1 1 284.359 3.491 20 0 CGADMM Cc1nc(SCc2cnc3ccccc3n2)[n-]c(=O)c1C ZINC001459015862 937478316 /nfs/dbraw/zinc/47/83/16/937478316.db2.gz LQXOAEOQMBQXTF-UHFFFAOYSA-N -1 1 298.371 3.035 20 0 CGADMM CC(C)CC(C)(C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001460820767 937547155 /nfs/dbraw/zinc/54/71/55/937547155.db2.gz YMGXFUPQGIZRIW-UHFFFAOYSA-N -1 1 291.395 3.072 20 0 CGADMM CCC(=O)c1ccc([O-])cc1OC[C@@H]1CCC=CO1 ZINC001229475354 932157426 /nfs/dbraw/zinc/15/74/26/932157426.db2.gz VEYADXOWRSYCBV-LBPRGKRZSA-N -1 1 262.305 3.056 20 0 CGADMM CCC[C@H](Oc1nc(C(=O)OC)c[n-]1)c1ccccc1 ZINC001230282249 932551484 /nfs/dbraw/zinc/55/14/84/932551484.db2.gz SJMNQTDPFIMUFO-ZDUSSCGKSA-N -1 1 274.320 3.117 20 0 CGADMM Cc1ncsc1CN(C)Cc1ccc([O-])c(F)c1F ZINC001461953736 937608476 /nfs/dbraw/zinc/60/84/76/937608476.db2.gz BEYGUKBVKZWYTK-UHFFFAOYSA-N -1 1 284.331 3.067 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cn1)c1csc2ccccc21 ZINC001304826842 932857748 /nfs/dbraw/zinc/85/77/48/932857748.db2.gz MQFGUKVCHMBKLZ-JTQLQIEISA-N -1 1 298.367 3.493 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H]2C[C@H]3CCC[C@H]3O2)n1 ZINC001307254296 932934351 /nfs/dbraw/zinc/93/43/51/932934351.db2.gz ZCRMGEQNAYHKEN-KGYLQXTDSA-N -1 1 294.420 3.184 20 0 CGADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc([O-])cc1F ZINC001464447463 937690569 /nfs/dbraw/zinc/69/05/69/937690569.db2.gz ZWFGJYXEWXHBMX-MRXNPFEDSA-N -1 1 285.318 3.257 20 0 CGADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001464642240 937693628 /nfs/dbraw/zinc/69/36/28/937693628.db2.gz JZTAJKXXRACUGB-PWSUYJOCSA-N -1 1 265.328 3.087 20 0 CGADMM CCC[C@@H](CC)NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001464645889 937693752 /nfs/dbraw/zinc/69/37/52/937693752.db2.gz VNQRXMAWNKXVSA-SNVBAGLBSA-N -1 1 290.338 3.388 20 0 CGADMM CCC(CC)[C@@H](CCNC(=O)c1ccc([O-])cc1F)OC ZINC001466243562 937707300 /nfs/dbraw/zinc/70/73/00/937707300.db2.gz KDSZURYBIRIMRC-OAHLLOKOSA-N -1 1 297.370 3.102 20 0 CGADMM O=C(CCc1cccc(O)c1)Nc1ccc([O-])c(Cl)c1 ZINC001466225493 937707386 /nfs/dbraw/zinc/70/73/86/937707386.db2.gz HAWAYXNUMCHRCL-UHFFFAOYSA-N -1 1 291.734 3.323 20 0 CGADMM CC[C@H](NC(=O)c1ncc2ccccc2c1[O-])C(F)(F)F ZINC001467258456 937716718 /nfs/dbraw/zinc/71/67/18/937716718.db2.gz BGDJGYOVIWGILH-JTQLQIEISA-N -1 1 298.264 3.011 20 0 CGADMM C[C@H](C(=O)[N-]OC(C)(C)C)c1cccc(Cl)c1 ZINC001319589576 933897392 /nfs/dbraw/zinc/89/73/92/933897392.db2.gz KQCFCIAQXOMBJM-VIFPVBQESA-N -1 1 255.745 3.290 20 0 CGADMM CC(C)c1nocc1C(=O)Nc1cc([O-])c(F)cc1F ZINC001468747483 937731301 /nfs/dbraw/zinc/73/13/01/937731301.db2.gz FDBHDMCHJYFAFW-UHFFFAOYSA-N -1 1 282.246 3.034 20 0 CGADMM Cc1sccc1NC(=O)c1ccc([O-])c(F)c1 ZINC001471085900 937761561 /nfs/dbraw/zinc/76/15/61/937761561.db2.gz LXVCHCKEWPEWSO-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM CC/C=C(/F)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001472193293 937773576 /nfs/dbraw/zinc/77/35/76/937773576.db2.gz UQZQGOAOPPWPIF-XVNBXDOJSA-N -1 1 261.655 3.387 20 0 CGADMM O=C(Nc1cccnc1C1CC1)c1ccc([O-])c(F)c1 ZINC001472280231 937774697 /nfs/dbraw/zinc/77/46/97/937774697.db2.gz DMOOWHWUBZMPSL-UHFFFAOYSA-N -1 1 272.279 3.056 20 0 CGADMM CCc1ccc2c(c1)CCN(C(=O)c1ccc([O-])cc1F)C2 ZINC001472416264 937776570 /nfs/dbraw/zinc/77/65/70/937776570.db2.gz MYOVYZOCGHSDEX-UHFFFAOYSA-N -1 1 299.345 3.292 20 0 CGADMM CC(C)[C@@H](F)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001325193149 934893349 /nfs/dbraw/zinc/89/33/49/934893349.db2.gz IEFAJMADIXCNCS-SNVBAGLBSA-N -1 1 290.132 3.087 20 0 CGADMM CC(C)(C)CC[C@@H](NCc1cc2cnccc2o1)C(=O)[O-] ZINC001326386942 934975792 /nfs/dbraw/zinc/97/57/92/934975792.db2.gz BIBPWGCGNQQYBI-CYBMUJFWSA-N -1 1 290.363 3.197 20 0 CGADMM CC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC=CC1 ZINC001332713666 935484632 /nfs/dbraw/zinc/48/46/32/935484632.db2.gz FFLJUGNCSYLOHF-UHFFFAOYSA-N -1 1 283.331 3.077 20 0 CGADMM O=C(NCC[C@@H]1CCC(F)(F)C1)c1ccc([O-])c(F)c1 ZINC001335361367 936141276 /nfs/dbraw/zinc/14/12/76/936141276.db2.gz IVCRSMXSIGDLDO-VIFPVBQESA-N -1 1 287.281 3.087 20 0 CGADMM CCC(C)(C)OC1CN(Cc2cccc([O-])c2Cl)C1 ZINC001474630003 937871486 /nfs/dbraw/zinc/87/14/86/937871486.db2.gz GEVSQLICVDFVQU-UHFFFAOYSA-N -1 1 283.799 3.435 20 0 CGADMM Cc1cccnc1[C@H](C)NCc1ccc([O-])c(F)c1F ZINC001474748366 937878870 /nfs/dbraw/zinc/87/88/70/937878870.db2.gz MWQCMBOGMYKYCP-JTQLQIEISA-N -1 1 278.302 3.225 20 0 CGADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccc([O-])c1F ZINC001540667107 938132902 /nfs/dbraw/zinc/13/29/02/938132902.db2.gz AWZXMXOOQSNOHQ-ZYHUDNBSSA-N -1 1 265.328 3.182 20 0 CGADMM O=C(NCCc1ccccc1Cl)c1cccc([O-])c1F ZINC001542469991 938136022 /nfs/dbraw/zinc/13/60/22/938136022.db2.gz ZBQQQIKRWPRJON-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCC12CCOCC2 ZINC001553613442 938200029 /nfs/dbraw/zinc/20/00/29/938200029.db2.gz QBYRPUOFDGCJIQ-NSHDSACASA-N -1 1 293.338 3.067 20 0 CGADMM Cc1cc(C)c(NC(=O)c2cccc([O-])c2F)cc1O ZINC001556111140 938201759 /nfs/dbraw/zinc/20/17/59/938201759.db2.gz OFRUWMYMJBSVRB-UHFFFAOYSA-N -1 1 275.279 3.106 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c([O-])c1 ZINC001556941714 938206620 /nfs/dbraw/zinc/20/66/20/938206620.db2.gz CXXMZCKJLWWKGT-SNVBAGLBSA-N -1 1 290.750 3.240 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])c1cc(O)ccc1Cl ZINC001557086838 938207841 /nfs/dbraw/zinc/20/78/41/938207841.db2.gz HYSHLAPUSTXLJJ-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM CC(=O)c1cc(NC(=O)c2cc(F)ccc2[O-])ccc1C ZINC001557237825 938208650 /nfs/dbraw/zinc/20/86/50/938208650.db2.gz ZOCDVUKNCMXPMK-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2n[nH]c(C)c2Cl)c1 ZINC001557278319 938208777 /nfs/dbraw/zinc/20/87/77/938208777.db2.gz AWIWSILBODTSEK-UHFFFAOYSA-N -1 1 297.767 3.051 20 0 CGADMM C[C@@H](C(=O)Nc1cccc(F)c1[O-])c1ccccc1F ZINC001557955462 938212701 /nfs/dbraw/zinc/21/27/01/938212701.db2.gz BLTCNQOMDYVHDH-SECBINFHSA-N -1 1 277.270 3.413 20 0 CGADMM Cc1ccc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc1O ZINC001558644012 938216932 /nfs/dbraw/zinc/21/69/32/938216932.db2.gz QSUWQFIEALIGQC-UHFFFAOYSA-N -1 1 295.697 3.451 20 0 CGADMM CCCc1cc(C(=O)Nc2ccncc2[O-])ccc1Cl ZINC001558928674 938218359 /nfs/dbraw/zinc/21/83/59/938218359.db2.gz OMMVLFMJYIRKBF-UHFFFAOYSA-N -1 1 290.750 3.067 20 0 CGADMM CC[C@@H](C)CS(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1 ZINC001561766899 938296411 /nfs/dbraw/zinc/29/64/11/938296411.db2.gz GMQSYSWWRZCGTA-PWSUYJOCSA-N -1 1 297.411 3.166 20 0 CGADMM CCOc1ccc(Cl)cc1CN1CCC(C(=O)[O-])CC1 ZINC001592663388 951345738 /nfs/dbraw/zinc/34/57/38/951345738.db2.gz SQGQRSUWIKHEFO-UHFFFAOYSA-N -1 1 297.782 3.035 20 0 CGADMM Cc1ccc2nc(SCc3ccoc3C(=O)[O-])[nH]c2c1 ZINC000060059657 957570195 /nfs/dbraw/zinc/57/01/95/957570195.db2.gz MNZGOOTXHLSDIR-UHFFFAOYSA-N -1 1 288.328 3.455 20 0 CGADMM Cc1ccc(CNC(=O)Nc2cc(F)c([O-])cc2F)cc1 ZINC001185406171 957888638 /nfs/dbraw/zinc/88/86/38/957888638.db2.gz CSLIGLBYPFGIJR-UHFFFAOYSA-N -1 1 292.285 3.301 20 0 CGADMM Cc1ccc(CNCc2cccc(C(=O)[O-])c2)c(F)c1 ZINC001594362563 960517360 /nfs/dbraw/zinc/51/73/60/960517360.db2.gz OPJBYIXGRDLXFL-UHFFFAOYSA-N -1 1 273.307 3.122 20 0 CGADMM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cccc([O-])c1F ZINC001566230861 960907779 /nfs/dbraw/zinc/90/77/79/960907779.db2.gz OPYRGAFXUXSQRQ-UHFFFAOYSA-N -1 1 299.301 3.303 20 0 CGADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC001566247500 960909332 /nfs/dbraw/zinc/90/93/32/960909332.db2.gz LDGUVBGJMBZWGA-TZMCWYRMSA-N -1 1 297.395 3.325 20 0 CGADMM Cc1cc(Cl)ncc1NC(=O)c1ccc(F)c([O-])c1 ZINC001566412610 960929331 /nfs/dbraw/zinc/92/93/31/960929331.db2.gz YHWQGQYCKQRULR-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM CCOc1ccccc1N(C)C(=O)c1ccc(F)c([O-])c1 ZINC001566432207 960930107 /nfs/dbraw/zinc/93/01/07/960930107.db2.gz KIKPXYYCZUGVMX-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H]1c1ccncc1 ZINC001566589021 960965535 /nfs/dbraw/zinc/96/55/35/960965535.db2.gz NEIQROHAXKJKOL-NWDGAFQWSA-N -1 1 288.734 3.183 20 0 CGADMM CC1(C)CN(C(=O)c2cccc([O-])c2F)Cc2ccccc21 ZINC001567285143 961260105 /nfs/dbraw/zinc/26/01/05/961260105.db2.gz JPEYZUJCXHRYEO-UHFFFAOYSA-N -1 1 299.345 3.465 20 0 CGADMM CC(C)=CCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001567589900 961372913 /nfs/dbraw/zinc/37/29/13/961372913.db2.gz PKQNVFDWLNMORA-UHFFFAOYSA-N -1 1 273.254 3.107 20 0 CGADMM CC(C)c1cccc2c1CCN(C(=O)c1ccc([O-])cn1)C2 ZINC001568588823 961616110 /nfs/dbraw/zinc/61/61/10/961616110.db2.gz XGSAQFGAYHYSPZ-UHFFFAOYSA-N -1 1 296.370 3.109 20 0 CGADMM O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ncccc1[O-] ZINC001568683135 961630018 /nfs/dbraw/zinc/63/00/18/961630018.db2.gz HDXXBURCKZNJDI-GJZGRUSLSA-N -1 1 296.370 3.243 20 0 CGADMM Cc1cc(C)c(C(=O)Nc2ccc([O-])c(F)c2F)o1 ZINC001569011003 961665977 /nfs/dbraw/zinc/66/59/77/961665977.db2.gz WXLTWTGFZBVYNU-UHFFFAOYSA-N -1 1 267.231 3.133 20 0 CGADMM C[C@H](C(=O)Nc1ccc([O-])c(F)c1F)c1cccc(O)c1 ZINC001569013011 961668345 /nfs/dbraw/zinc/66/83/45/961668345.db2.gz YCCXGHBVPAXMCD-QMMMGPOBSA-N -1 1 293.269 3.118 20 0 CGADMM CCC(CC)CC(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC001569890979 961863824 /nfs/dbraw/zinc/86/38/24/961863824.db2.gz MEEQEBDSAFYKPG-UHFFFAOYSA-N -1 1 276.336 3.217 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@]2(C)CCCC[C@@H]2C)c1 ZINC001570095326 961907542 /nfs/dbraw/zinc/90/75/42/961907542.db2.gz OBLDQIWRZMYLQN-YVEFUNNKSA-N -1 1 289.375 3.212 20 0 CGADMM CCCCCCOCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001570464523 961966620 /nfs/dbraw/zinc/96/66/20/961966620.db2.gz FWNHORFKTAKOKS-UHFFFAOYSA-N -1 1 287.306 3.206 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)C2CCC(F)(F)CC2)c([O-])c1 ZINC001583105104 962773341 /nfs/dbraw/zinc/77/33/41/962773341.db2.gz VZHOFIVJJRSYQE-SNVBAGLBSA-N -1 1 298.333 3.039 20 0 CGADMM COc1c(Cl)cccc1NC(=O)c1ccc([O-])cc1F ZINC001583349884 962796833 /nfs/dbraw/zinc/79/68/33/962796833.db2.gz SFJHMVQDAICRCX-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CCOc1cccc(NC(=O)c2ccc(CC)cc2[O-])n1 ZINC001584584687 962937555 /nfs/dbraw/zinc/93/75/55/962937555.db2.gz GRFWLERFVQQBFS-UHFFFAOYSA-N -1 1 286.331 3.001 20 0 CGADMM Cc1nocc1[N-]C(=O)c1cc(F)c(Cl)nc1Cl ZINC001585122978 962984414 /nfs/dbraw/zinc/98/44/14/962984414.db2.gz QGUXYQUBXZMXHV-UHFFFAOYSA-N -1 1 290.081 3.076 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2nc3ccccc3[nH]2)c1 ZINC001587421002 963196413 /nfs/dbraw/zinc/19/64/13/963196413.db2.gz LFAHLLYWBXRWFJ-UHFFFAOYSA-N -1 1 299.355 3.243 20 0 CGADMM O=C(N[C@@H](CF)c1ccc(F)cc1)c1cccc([O-])c1F ZINC001587752878 963218361 /nfs/dbraw/zinc/21/83/61/963218361.db2.gz ZMSCXEURTVHUQW-LBPRGKRZSA-N -1 1 295.260 3.111 20 0 CGADMM CC(C)CCC[C@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001588043790 963239431 /nfs/dbraw/zinc/23/94/31/963239431.db2.gz BLUAFAKJRGMOAL-NSHDSACASA-N -1 1 267.344 3.476 20 0 CGADMM C/C(=C\C(=O)[O-])CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC001588949399 963330782 /nfs/dbraw/zinc/33/07/82/963330782.db2.gz QYEYAAHXUGKDII-AORWBKJGSA-N -1 1 265.740 3.118 20 0 CGADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cn1 ZINC001589128442 963351499 /nfs/dbraw/zinc/35/14/99/963351499.db2.gz JUBZFVMCNBQQFE-SNVBAGLBSA-N -1 1 290.750 3.284 20 0 CGADMM CC(C)c1[nH]c(CN2CCCC3(CC3)C2)cc1C(=O)[O-] ZINC001591912875 976353188 /nfs/dbraw/zinc/35/31/88/976353188.db2.gz UNQQVRUAZNBYOL-UHFFFAOYSA-N -1 1 276.380 3.212 20 0 CGADMM CC[C@@H]1CN(Cc2ccc(C(=O)[O-])c(C)c2)C[C@H](CC)O1 ZINC001595488133 981235214 /nfs/dbraw/zinc/23/52/14/981235214.db2.gz NHBZLOABEIMBAO-GASCZTMLSA-N -1 1 291.391 3.083 20 0 CGADMM CC/C=C\CN[C@@H](C(=O)[O-])c1ccccc1Br ZINC001595521355 981339828 /nfs/dbraw/zinc/33/98/28/981339828.db2.gz ULKQVPGEWZWTPB-GCLPIYDQSA-N -1 1 298.180 3.131 20 0 CGADMM C/C=C\C[C@H]1CCCN(Cc2ncc(C(=O)[O-])s2)C1 ZINC001594685824 987057520 /nfs/dbraw/zinc/05/75/20/987057520.db2.gz GVOZGDXHYSYBFX-QUCGXOGASA-N -1 1 280.393 3.020 20 0 CGADMM CC[C@H](NCc1cc(C)c(C(=O)[O-])[nH]1)c1ccccc1F ZINC001597349309 987484875 /nfs/dbraw/zinc/48/48/75/987484875.db2.gz FFXXICGSXKGNKY-AWEZNQCLSA-N -1 1 290.338 3.401 20 0 CGADMM CCc1cccc2cc(CN[C@@](C)(CCF)C(=O)[O-])oc21 ZINC001597603448 988466560 /nfs/dbraw/zinc/46/65/60/988466560.db2.gz CDTBKCIXLJJRJJ-INIZCTEOSA-N -1 1 293.338 3.288 20 0 CGADMM CCc1oc(CN2CC(CC)(CC)C2)cc1C(=O)[O-] ZINC001597797077 989358313 /nfs/dbraw/zinc/35/83/13/989358313.db2.gz UVPOJTPVELSRHS-UHFFFAOYSA-N -1 1 265.353 3.162 20 0 CGADMM C[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1ccsc1 ZINC001593295837 994692102 /nfs/dbraw/zinc/69/21/02/994692102.db2.gz HRDSYCVDPIMKSW-UMCURTJPSA-N -1 1 277.345 3.290 20 0 CGADMM COc1ccc(C(=O)[O-])cc1CN[C@H](C)c1ccccc1 ZINC001599499761 997094529 /nfs/dbraw/zinc/09/45/29/997094529.db2.gz BACIWTMMFKOZFO-GFCCVEGCSA-N -1 1 285.343 3.244 20 0 CGADMM C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1ncc(C(=O)[O-])s1 ZINC001594213811 998824367 /nfs/dbraw/zinc/82/43/67/998824367.db2.gz GGBUNRXHVVHWGY-WDEREUQCSA-N -1 1 296.436 3.488 20 0 CGADMM CC(C)C(C)(C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000590244173 346837892 /nfs/dbraw/zinc/83/78/92/346837892.db2.gz QKENRZGNAVTQML-UHFFFAOYSA-N -1 1 255.745 3.210 20 0 CGADMM Cc1c(F)cccc1C(=O)Nc1ccc(F)cc1[O-] ZINC000622467439 349681810 /nfs/dbraw/zinc/68/18/10/349681810.db2.gz TWLIOMBPYDHHRN-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CC[C@@H](CSC)NC(=O)c1ccc2ccccc2c1[O-] ZINC000164120930 529531206 /nfs/dbraw/zinc/53/12/06/529531206.db2.gz CMZIRSPZBQTSLW-LBPRGKRZSA-N -1 1 289.400 3.417 20 0 CGADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(OC)c2)c1 ZINC000176397349 529549135 /nfs/dbraw/zinc/54/91/35/529549135.db2.gz SIWUILYGYNTHNA-UHFFFAOYSA-N -1 1 291.372 3.058 20 0 CGADMM CCc1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c([O-])c1 ZINC000436822546 529611154 /nfs/dbraw/zinc/61/11/54/529611154.db2.gz VKWDQHKTXGCZTK-NSHDSACASA-N -1 1 299.374 3.374 20 0 CGADMM CCc1cnccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000165312107 529668284 /nfs/dbraw/zinc/66/82/84/529668284.db2.gz CGAQXQPZDHLYDK-UHFFFAOYSA-N -1 1 285.278 3.206 20 0 CGADMM CCc1nc(C)c(NC(=O)c2cc(F)ccc2[O-])s1 ZINC000436987054 529728397 /nfs/dbraw/zinc/72/83/97/529728397.db2.gz HDCRNYQAGILPNV-UHFFFAOYSA-N -1 1 280.324 3.111 20 0 CGADMM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([O-])cc1F ZINC000181042100 529985193 /nfs/dbraw/zinc/98/51/93/529985193.db2.gz VVOUFIUHPQMNHV-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM COc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000017296747 344888107 /nfs/dbraw/zinc/88/81/07/344888107.db2.gz SVICAFDDFLLNOR-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM CCC[C@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC000044490300 345011582 /nfs/dbraw/zinc/01/15/82/345011582.db2.gz GRTVZKHGIMLAHV-QMMMGPOBSA-N -1 1 286.169 3.073 20 0 CGADMM Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000072678083 345415404 /nfs/dbraw/zinc/41/54/04/345415404.db2.gz IUXWMDRQUBJVME-SSDOTTSWSA-N -1 1 294.738 3.141 20 0 CGADMM CCn1nc(C)c([N-]c2nc3ccccc3o2)c1C ZINC000078452618 345608966 /nfs/dbraw/zinc/60/89/66/345608966.db2.gz SAAQLDNRRSOLQL-UHFFFAOYSA-N -1 1 256.309 3.405 20 0 CGADMM O=C(Nc1cncc2ccccc21)c1ccccc1[O-] ZINC000089279257 345767423 /nfs/dbraw/zinc/76/74/23/345767423.db2.gz DTCRZGUBWYBEAY-UHFFFAOYSA-N -1 1 264.284 3.193 20 0 CGADMM C[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])C1CC1 ZINC000132740627 346073251 /nfs/dbraw/zinc/07/32/51/346073251.db2.gz DTISHZNLYYWHQD-NSHDSACASA-N -1 1 269.344 3.321 20 0 CGADMM O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccccc1[O-] ZINC000142008272 346109961 /nfs/dbraw/zinc/10/99/61/346109961.db2.gz ZFEBPFRXPJRRTD-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM CC(C)(C)CCCNC(=O)c1ccc([O-])cc1F ZINC000163939678 346181753 /nfs/dbraw/zinc/18/17/53/346181753.db2.gz WRDJGTIEZOXXEF-UHFFFAOYSA-N -1 1 253.317 3.087 20 0 CGADMM CCc1ncc(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000350818012 346524797 /nfs/dbraw/zinc/52/47/97/346524797.db2.gz MLWQFZIEJBNTMK-UHFFFAOYSA-N -1 1 291.307 3.267 20 0 CGADMM [O-]c1cccc(CN[C@@H](CO)c2cccc(F)c2)c1Cl ZINC000339263185 215049034 /nfs/dbraw/zinc/04/90/34/215049034.db2.gz FPNDWIAEDOJNII-ZDUSSCGKSA-N -1 1 295.741 3.008 20 0 CGADMM COc1ccc(CNCc2cccc([O-])c2Cl)c(F)c1 ZINC000339300031 215078389 /nfs/dbraw/zinc/07/83/89/215078389.db2.gz ZOVPTLUCABDFIL-UHFFFAOYSA-N -1 1 295.741 3.483 20 0 CGADMM C[C@@H](NCc1cccc([O-])c1Cl)c1ccncc1F ZINC000339398046 215146116 /nfs/dbraw/zinc/14/61/16/215146116.db2.gz UOCODCZCEBTOPN-SECBINFHSA-N -1 1 280.730 3.431 20 0 CGADMM CC(C)c1nc(=NCCSc2ccc(Cl)cc2)o[n-]1 ZINC000605690401 348166344 /nfs/dbraw/zinc/16/63/44/348166344.db2.gz OPMLJFZEHNHXKD-UHFFFAOYSA-N -1 1 297.811 3.473 20 0 CGADMM CC(C)c1cc(C(=O)N=c2cc[nH][nH]2)c([O-])c(C(C)C)c1 ZINC000608354832 348300125 /nfs/dbraw/zinc/30/01/25/348300125.db2.gz VTYOYHRWDDILLW-UHFFFAOYSA-N -1 1 287.363 3.036 20 0 CGADMM CC(C)CCSCC(=O)Nc1c([O-])cccc1F ZINC000609851183 348355364 /nfs/dbraw/zinc/35/53/64/348355364.db2.gz QGJHYKKGAWLOOE-UHFFFAOYSA-N -1 1 271.357 3.249 20 0 CGADMM C[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])C[C@H](C)C1 ZINC000612851150 348550257 /nfs/dbraw/zinc/55/02/57/348550257.db2.gz NNESUZNRUWUSQK-QWHCGFSZSA-N -1 1 298.386 3.449 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCCC2(CC2)C1 ZINC000613026771 348560220 /nfs/dbraw/zinc/56/02/20/348560220.db2.gz ITVJXCLQVFCGES-JTQLQIEISA-N -1 1 263.312 3.440 20 0 CGADMM C[C@H]1CN(C(=O)c2ncc3ccccc3c2[O-])CC[C@@H]1C ZINC000613162970 348569997 /nfs/dbraw/zinc/56/99/97/348569997.db2.gz RFFQSMHWOIBXEC-RYUDHWBXSA-N -1 1 284.359 3.059 20 0 CGADMM CS[C@@H](CNC(=O)c1ccc([O-])c(F)c1)C(C)(C)C ZINC000613528610 348615562 /nfs/dbraw/zinc/61/55/62/348615562.db2.gz LKRHNUFURUFACC-LBPRGKRZSA-N -1 1 285.384 3.039 20 0 CGADMM CC(=O)Nc1ccc([O-])c(-c2nc(C3CCCC3)no2)c1 ZINC000273462700 192161061 /nfs/dbraw/zinc/16/10/61/192161061.db2.gz OJBHMKNUKBMSCZ-UHFFFAOYSA-N -1 1 287.319 3.058 20 0 CGADMM CC(C)(C)C1CN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000616196055 348796883 /nfs/dbraw/zinc/79/68/83/348796883.db2.gz HWNXKFGOUWXJSE-UHFFFAOYSA-N -1 1 284.359 3.059 20 0 CGADMM CCCCN(C)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000273948264 192374296 /nfs/dbraw/zinc/37/42/96/192374296.db2.gz LRSQDMOJUQRXCU-UHFFFAOYSA-N -1 1 285.771 3.316 20 0 CGADMM Cc1cnc(C(=O)N2CCCC3(CCCC3)CC2)c([O-])c1 ZINC000617563111 348969269 /nfs/dbraw/zinc/96/92/69/348969269.db2.gz FYKJTFFVWFSDFP-UHFFFAOYSA-N -1 1 288.391 3.282 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](CCF)C1 ZINC000618687139 349142441 /nfs/dbraw/zinc/14/24/41/349142441.db2.gz LIPJUZKAYHUWDK-SNVBAGLBSA-N -1 1 285.746 3.257 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCCC2(CC2)C1 ZINC000628959989 350625388 /nfs/dbraw/zinc/62/53/88/350625388.db2.gz HEKVLHIIBIAIMK-JTQLQIEISA-N -1 1 263.312 3.440 20 0 CGADMM CO[C@H](C(=O)Nc1cccc(F)c1[O-])C1CCCCC1 ZINC000628960300 350626328 /nfs/dbraw/zinc/62/63/28/350626328.db2.gz NPIPURAFVNOSCX-AWEZNQCLSA-N -1 1 281.327 3.065 20 0 CGADMM Cc1cnccc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000629175151 350663420 /nfs/dbraw/zinc/66/34/20/350663420.db2.gz JVUVZCHCQFPLIL-UHFFFAOYSA-N -1 1 273.361 3.055 20 0 CGADMM O=C(CCC1CCCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629371489 350681824 /nfs/dbraw/zinc/68/18/24/350681824.db2.gz GSFJJTNOZDRIRM-UHFFFAOYSA-N -1 1 299.374 3.487 20 0 CGADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378184 350684514 /nfs/dbraw/zinc/68/45/14/350684514.db2.gz BXVJIKRKNGPXSS-CHWSQXEVSA-N -1 1 299.374 3.343 20 0 CGADMM CCCC(C)(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629379214 350685282 /nfs/dbraw/zinc/68/52/82/350685282.db2.gz CGTAXVAYBXWUJT-UHFFFAOYSA-N -1 1 287.363 3.343 20 0 CGADMM Cc1nc(S[C@@H]2CCC(C)(C)C2=O)[n-]c(=O)c1C1CC1 ZINC000631023178 350926581 /nfs/dbraw/zinc/92/65/81/350926581.db2.gz KKCISEMHDGXKLW-SNVBAGLBSA-N -1 1 292.404 3.218 20 0 CGADMM Cc1nc(SCCC[C@H]2CCOC2)[n-]c(=O)c1C1CC1 ZINC000631023033 350926725 /nfs/dbraw/zinc/92/67/25/350926725.db2.gz FQIISZAUCCMPCS-NSHDSACASA-N -1 1 294.420 3.277 20 0 CGADMM Cc1nc(SC[C@@H]2CCO[C@H](C)C2)[n-]c(=O)c1C1CC1 ZINC000631022877 350927030 /nfs/dbraw/zinc/92/70/30/350927030.db2.gz BWUALNWUNQFQAQ-MWLCHTKSSA-N -1 1 294.420 3.275 20 0 CGADMM Cc1nc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)oc1C ZINC000631023894 350927848 /nfs/dbraw/zinc/92/78/48/350927848.db2.gz HGECKVAGTVMCCS-UHFFFAOYSA-N -1 1 291.376 3.265 20 0 CGADMM Cc1nc(SCCc2cscn2)[n-]c(=O)c1C1CC1 ZINC000631023744 350927987 /nfs/dbraw/zinc/92/79/87/350927987.db2.gz VWBWMMMHZOLKLL-UHFFFAOYSA-N -1 1 293.417 3.159 20 0 CGADMM CC1(C)CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000631266667 351012862 /nfs/dbraw/zinc/01/28/62/351012862.db2.gz QYNPEFNJKJUIHB-UHFFFAOYSA-N -1 1 281.783 3.237 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@H](CCF)C1 ZINC000633630138 351335347 /nfs/dbraw/zinc/33/53/47/351335347.db2.gz GSKNKCUMGPSTBA-LLVKDONJSA-N -1 1 299.773 3.186 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC(CCF)CC1 ZINC000633963900 351406252 /nfs/dbraw/zinc/40/62/52/351406252.db2.gz WJVSWKDOSBEFRD-UHFFFAOYSA-N -1 1 299.773 3.186 20 0 CGADMM Cc1[n-]n(-c2ncc(Cl)cc2Cl)c(=O)c1C1CC1 ZINC000634583627 351523574 /nfs/dbraw/zinc/52/35/74/351523574.db2.gz CMUOFKCEZSXTNF-JTQLQIEISA-N -1 1 284.146 3.137 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccccc3C(F)(F)F)c(=O)c21 ZINC000634584436 351524094 /nfs/dbraw/zinc/52/40/94/351524094.db2.gz BVZFOKVQDOYOLZ-PELKAZGASA-N -1 1 282.265 3.454 20 0 CGADMM CCc1cc(=O)n(-c2ccc(OC)cc2C(F)(F)F)[n-]1 ZINC000634629954 351551901 /nfs/dbraw/zinc/55/19/01/351551901.db2.gz IAPHYLYLUGGPDW-UHFFFAOYSA-N -1 1 286.253 3.217 20 0 CGADMM CSc1ccc(-n2[n-]c3c(c2=O)[C@@H](C)CC3)cc1 ZINC000634594156 351529623 /nfs/dbraw/zinc/52/96/23/351529623.db2.gz MNIGKKSITIGJGM-ZANVPECISA-N -1 1 260.362 3.157 20 0 CGADMM CCc1[n-]n(-c2ncnc3ccsc32)c(=O)c1C(C)C ZINC000634595220 351530739 /nfs/dbraw/zinc/53/07/39/351530739.db2.gz UHOMCNQPZREWMG-NSHDSACASA-N -1 1 288.376 3.076 20 0 CGADMM Cc1[n-]n(-c2ccc(C(F)(F)F)cc2)c(=O)c1C1CC1 ZINC000634596066 351531993 /nfs/dbraw/zinc/53/19/93/351531993.db2.gz VNXMTCCVVXDVBK-LBPRGKRZSA-N -1 1 282.265 3.454 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3ccccc3Cl)c(=O)c2C1 ZINC000634597206 351533369 /nfs/dbraw/zinc/53/33/69/351533369.db2.gz DSHDLJLUVCMEIW-JQWIXIFHSA-N -1 1 276.767 3.474 20 0 CGADMM C[C@H](CN(C)Cc1cc(Cl)cc(Cl)c1F)C(=O)[O-] ZINC000635016270 351631773 /nfs/dbraw/zinc/63/17/73/351631773.db2.gz LKFXQIKTUQZISQ-SSDOTTSWSA-N -1 1 294.153 3.285 20 0 CGADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])C1CCOCC1 ZINC000152300744 188007864 /nfs/dbraw/zinc/00/78/64/188007864.db2.gz TWFSJKWIKBYHNX-LBPRGKRZSA-N -1 1 299.370 3.090 20 0 CGADMM CCN(C(=O)c1ccc(C)cc1[O-])c1nc(C)cs1 ZINC000152964953 188056285 /nfs/dbraw/zinc/05/62/85/188056285.db2.gz YLMULQUYRIKIMP-UHFFFAOYSA-N -1 1 276.361 3.132 20 0 CGADMM CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)C1CC1 ZINC000292317288 198242421 /nfs/dbraw/zinc/24/24/21/198242421.db2.gz WOAUZTNBMKXVQX-UHFFFAOYSA-N -1 1 253.729 3.420 20 0 CGADMM CC[C@]1(C)CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000336405334 213264084 /nfs/dbraw/zinc/26/40/84/213264084.db2.gz UCRFLAOHPRMYNW-OAHLLOKOSA-N -1 1 297.782 3.316 20 0 CGADMM C[C@H]1CSCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000070222673 291019220 /nfs/dbraw/zinc/01/92/20/291019220.db2.gz HPRZPMZKTNFBEJ-NSHDSACASA-N -1 1 287.384 3.123 20 0 CGADMM O=C(NCc1ccccc1Cl)c1c(F)ccc([O-])c1F ZINC000336398434 213255887 /nfs/dbraw/zinc/25/58/87/213255887.db2.gz OIXXRMYQPMJBEH-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM C[C@@H](c1ccco1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000123976220 138371681 /nfs/dbraw/zinc/37/16/81/138371681.db2.gz KHVPFLCGCOENDM-VIFPVBQESA-N -1 1 279.723 3.472 20 0 CGADMM O=C([O-])[C@H](NCc1cc(F)cc(F)c1)c1cccc(F)c1 ZINC000426819310 236316201 /nfs/dbraw/zinc/31/62/01/236316201.db2.gz HUBGFXPTNKNROD-CQSZACIVSA-N -1 1 295.260 3.019 20 0 CGADMM CCC[C@H](OC)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000296719775 199978024 /nfs/dbraw/zinc/97/80/24/199978024.db2.gz IOKAZRPFXSCEMV-NSHDSACASA-N -1 1 266.272 3.069 20 0 CGADMM Cc1cccc([C@H](C)CNC(=O)c2c([O-])cccc2F)c1 ZINC000436507640 237120839 /nfs/dbraw/zinc/12/08/39/237120839.db2.gz APYMFWKIQLRAEP-GFCCVEGCSA-N -1 1 287.334 3.373 20 0 CGADMM Cc1cc(C)cc(CCNC(=O)c2c([O-])cccc2F)c1 ZINC000436492946 237112654 /nfs/dbraw/zinc/11/26/54/237112654.db2.gz SQWOXHBTGCFRKR-UHFFFAOYSA-N -1 1 287.334 3.121 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCCC[C@H]1C(F)F ZINC000436518019 237119489 /nfs/dbraw/zinc/11/94/89/237119489.db2.gz PTWUNZTYPKCBQP-JTQLQIEISA-N -1 1 289.709 3.305 20 0 CGADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@H]1CC1(C)C ZINC000436822837 237185820 /nfs/dbraw/zinc/18/58/20/237185820.db2.gz RAPPXKKHPKRIHH-NSHDSACASA-N -1 1 287.281 3.282 20 0 CGADMM O=C(N[C@@H](c1cccs1)C1CC1)c1cc(F)ccc1[O-] ZINC000436753350 237175408 /nfs/dbraw/zinc/17/54/08/237175408.db2.gz CRKGOLWHSRJCBN-CQSZACIVSA-N -1 1 291.347 3.474 20 0 CGADMM Cc1cncc(CCc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000436782569 237177873 /nfs/dbraw/zinc/17/78/73/237177873.db2.gz IZYRTHFFPFHVRC-UHFFFAOYSA-N -1 1 299.305 3.070 20 0 CGADMM O=C(NCc1cnc2ccccc2c1)c1c([O-])cccc1F ZINC000436959448 237222964 /nfs/dbraw/zinc/22/29/64/237222964.db2.gz HOVHFFSDWDYBLF-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(Cl)cn1 ZINC000436982114 237227396 /nfs/dbraw/zinc/22/73/96/237227396.db2.gz SOCMKPPSNZRWEM-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM O=C(N[C@@H]1C[C@H]1C1CC1)c1cc2ccccc2cc1[O-] ZINC000436899266 237202453 /nfs/dbraw/zinc/20/24/53/237202453.db2.gz JNSAYGUMSWZCGG-DZGCQCFKSA-N -1 1 267.328 3.074 20 0 CGADMM CCOc1cc(C(=O)N2CCCCC2)cc(Cl)c1[O-] ZINC000298207661 200360233 /nfs/dbraw/zinc/36/02/33/200360233.db2.gz PYVAZVUTKBGVET-UHFFFAOYSA-N -1 1 283.755 3.070 20 0 CGADMM CC(C)C[C@H](NCc1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000341878356 216135134 /nfs/dbraw/zinc/13/51/34/216135134.db2.gz RHPQZJXMXHYFEB-LBPRGKRZSA-N -1 1 294.786 3.041 20 0 CGADMM C[C@H](c1c(F)cccc1F)N(C)CCCCC(=O)[O-] ZINC000342124031 216227922 /nfs/dbraw/zinc/22/79/22/216227922.db2.gz IJHIKJTXBNLUED-SNVBAGLBSA-N -1 1 271.307 3.213 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456288019 241392228 /nfs/dbraw/zinc/39/22/28/241392228.db2.gz TXFPVNLSQQYFHD-UKRRQHHQSA-N -1 1 291.778 3.306 20 0 CGADMM CCc1nc(CSc2nc(C)c(C)c(=O)[n-]2)cs1 ZINC000330667612 203095214 /nfs/dbraw/zinc/09/52/14/203095214.db2.gz BSRHXJVIOUTIBE-UHFFFAOYSA-N -1 1 281.406 3.110 20 0 CGADMM Cc1oc(-c2cccs2)nc1CN(C)CCCC(=O)[O-] ZINC000042716560 369229998 /nfs/dbraw/zinc/22/99/98/369229998.db2.gz CJXBBTDYXCXXSK-UHFFFAOYSA-N -1 1 294.376 3.008 20 0 CGADMM C[C@H]1c2ccsc2CCN1Cc1ccoc1C(=O)[O-] ZINC000042771606 369231048 /nfs/dbraw/zinc/23/10/48/369231048.db2.gz ZLDBINIVMHLIGD-VIFPVBQESA-N -1 1 277.345 3.159 20 0 CGADMM O=C(C=CC1CCCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000493819882 244237443 /nfs/dbraw/zinc/23/74/43/244237443.db2.gz KERQZVCPQYPQNE-BJMVGYQFSA-N -1 1 297.358 3.467 20 0 CGADMM CC[C@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000048418704 369348932 /nfs/dbraw/zinc/34/89/32/369348932.db2.gz GSBUPBVBWCMFJK-JTQLQIEISA-N -1 1 277.393 3.161 20 0 CGADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1F ZINC000103060676 370317012 /nfs/dbraw/zinc/31/70/12/370317012.db2.gz DJTVGXJZDIBVQS-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM Cc1cc2sc(NC(=O)c3cncc([O-])c3)nc2c(C)c1 ZINC000109937096 370367379 /nfs/dbraw/zinc/36/73/79/370367379.db2.gz WZYVQIFOOVNIBW-UHFFFAOYSA-N -1 1 299.355 3.266 20 0 CGADMM O=C(Nc1cccc2ncccc21)c1cc(F)ccc1[O-] ZINC000132859762 371207595 /nfs/dbraw/zinc/20/75/95/371207595.db2.gz NSSUVCTXKJORFU-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(COc2ccccc2)no1 ZINC000132983423 371217825 /nfs/dbraw/zinc/21/78/25/371217825.db2.gz VNCJEXUSURRWAZ-UHFFFAOYSA-N -1 1 286.262 3.160 20 0 CGADMM COc1cc(C(=O)N2CC[C@H](C)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000135223056 371402903 /nfs/dbraw/zinc/40/29/03/371402903.db2.gz MEJIPMFPGNNLES-UWVGGRQHSA-N -1 1 297.782 3.172 20 0 CGADMM CCOc1cc(C(=O)N[C@H]2CCC2(C)C)cc(Cl)c1[O-] ZINC000287303037 371637606 /nfs/dbraw/zinc/63/76/06/371637606.db2.gz UKNKMKVQDNJXBH-LBPRGKRZSA-N -1 1 297.782 3.363 20 0 CGADMM O=C([O-])C[C@@H](NCc1cc(F)ccc1F)c1cccs1 ZINC000037087794 541861367 /nfs/dbraw/zinc/86/13/67/541861367.db2.gz NPEGDQFGAPJMOZ-GFCCVEGCSA-N -1 1 297.326 3.332 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2ccccc2n1 ZINC000340331974 284308544 /nfs/dbraw/zinc/30/85/44/284308544.db2.gz VSJHTAABSFTSMA-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccccc2)[nH]n1 ZINC000162682574 372410282 /nfs/dbraw/zinc/41/02/82/372410282.db2.gz CLQWLTXDMRNPEJ-NSHDSACASA-N -1 1 293.392 3.114 20 0 CGADMM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000431604367 372489477 /nfs/dbraw/zinc/48/94/77/372489477.db2.gz OLWQYLPBSXGDFE-UHFFFAOYSA-N -1 1 291.363 3.068 20 0 CGADMM Cc1cc(CN(C)C(=O)c2ccc([O-])cc2F)ccc1F ZINC000444425200 373188669 /nfs/dbraw/zinc/18/86/69/373188669.db2.gz QMPOZBGJQPEORY-UHFFFAOYSA-N -1 1 291.297 3.251 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccsc2)c(C)c1 ZINC000174252543 373276131 /nfs/dbraw/zinc/27/61/31/373276131.db2.gz WNZFWOXZLZXHCQ-UHFFFAOYSA-N -1 1 267.375 3.166 20 0 CGADMM CCC[C@@H](OC)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000296719774 373227699 /nfs/dbraw/zinc/22/76/99/373227699.db2.gz IOKAZRPFXSCEMV-LLVKDONJSA-N -1 1 266.272 3.069 20 0 CGADMM CN(Cc1ccco1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180329463 373991068 /nfs/dbraw/zinc/99/10/68/373991068.db2.gz ZLHSFFRVKXWOIA-UHFFFAOYSA-N -1 1 299.248 3.276 20 0 CGADMM CN(Cc1cccc(Cl)c1)C(=O)c1ccc([O-])cc1F ZINC000181046738 374071920 /nfs/dbraw/zinc/07/19/20/374071920.db2.gz WJYRMGRNJNEDCK-UHFFFAOYSA-N -1 1 293.725 3.457 20 0 CGADMM CC1(C)CC[C@H](CSc2nc(C(F)F)cc(=O)[n-]2)O1 ZINC000289504994 197380747 /nfs/dbraw/zinc/38/07/47/197380747.db2.gz LBYRIDMGBCDRAP-SSDOTTSWSA-N -1 1 290.335 3.170 20 0 CGADMM CC1(C)CC[C@@H]1NC(=O)c1ccc(Br)cc1[O-] ZINC000310326397 374213795 /nfs/dbraw/zinc/21/37/95/374213795.db2.gz YUUXQNCGFUPMHB-NSHDSACASA-N -1 1 298.180 3.073 20 0 CGADMM CC(C)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)no1 ZINC000182871693 374337660 /nfs/dbraw/zinc/33/76/60/374337660.db2.gz QZLYOWBQLNRPKT-UHFFFAOYSA-N -1 1 280.711 3.409 20 0 CGADMM Cc1ccncc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000317930142 374341419 /nfs/dbraw/zinc/34/14/19/374341419.db2.gz PRHADYCTPCKOTR-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM Cn1ccc(C(=O)Nc2ccc(F)cc2[O-])c1C1CCC1 ZINC000334139611 206045762 /nfs/dbraw/zinc/04/57/62/206045762.db2.gz ALIVIEQMEQVJRN-UHFFFAOYSA-N -1 1 288.322 3.390 20 0 CGADMM O=C([O-])CCC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000086755820 541940975 /nfs/dbraw/zinc/94/09/75/541940975.db2.gz DYMYWOVLTZQDDK-UHFFFAOYSA-N -1 1 283.318 3.042 20 0 CGADMM O=C(Nc1c([O-])cccc1F)C1CCC(F)(F)CC1 ZINC000089493314 541953403 /nfs/dbraw/zinc/95/34/03/541953403.db2.gz XYPZWFOQXAYTMR-UHFFFAOYSA-N -1 1 273.254 3.295 20 0 CGADMM CC(C)(C)C[C@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000331233209 374517143 /nfs/dbraw/zinc/51/71/43/374517143.db2.gz JZRYMBRYDFLERU-CYBMUJFWSA-N -1 1 289.375 3.002 20 0 CGADMM CCC1(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)CCC1 ZINC000332500694 374579500 /nfs/dbraw/zinc/57/95/00/374579500.db2.gz WMGOMSDQTLNYAP-UHFFFAOYSA-N -1 1 297.782 3.364 20 0 CGADMM CC(C)(c1ccccc1)C1(NC(=O)c2cncc([O-])c2)CC1 ZINC000456820210 374632029 /nfs/dbraw/zinc/63/20/29/374632029.db2.gz WZZZHYZGWKNFGJ-UHFFFAOYSA-N -1 1 296.370 3.027 20 0 CGADMM CC[C@H](C)[C@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456780287 374621726 /nfs/dbraw/zinc/62/17/26/374621726.db2.gz IQYVUCMANRPVGN-YUMQZZPRSA-N -1 1 257.280 3.291 20 0 CGADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456780886 374622071 /nfs/dbraw/zinc/62/20/71/374622071.db2.gz JBOXWKHQVOOZDV-JOYOIKCWSA-N -1 1 299.317 3.204 20 0 CGADMM CC(C)CCO[C@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456780422 374622152 /nfs/dbraw/zinc/62/21/52/374622152.db2.gz CGYFQXVXSLXCKR-SECBINFHSA-N -1 1 287.306 3.060 20 0 CGADMM CCc1ccc(O)c(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000334477350 374781990 /nfs/dbraw/zinc/78/19/90/374781990.db2.gz QAEAFCMZHKZSIA-UHFFFAOYSA-N -1 1 293.269 3.191 20 0 CGADMM CC[C@@H]1CC[C@H](C)N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000334635372 374927433 /nfs/dbraw/zinc/92/74/33/374927433.db2.gz NTSCPXJYYZXYGL-WDEREUQCSA-N -1 1 291.420 3.407 20 0 CGADMM Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000335076221 375110283 /nfs/dbraw/zinc/11/02/83/375110283.db2.gz PCFYEBGWCADHMG-UHFFFAOYSA-N -1 1 295.289 3.078 20 0 CGADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)C1CCCCC1 ZINC000334989151 375055142 /nfs/dbraw/zinc/05/51/42/375055142.db2.gz QXBVCKQXUDQKRL-SECBINFHSA-N -1 1 283.318 3.369 20 0 CGADMM CO[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CC[C@H]1C ZINC000188003305 375137488 /nfs/dbraw/zinc/13/74/88/375137488.db2.gz KDJANVJRKKDLBY-MLGOLLRUSA-N -1 1 299.370 3.042 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2c(F)cccc2F)n1 ZINC000188095458 375157475 /nfs/dbraw/zinc/15/74/75/375157475.db2.gz PBMMATHEDNXJJT-QMMMGPOBSA-N -1 1 296.342 3.464 20 0 CGADMM COc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1F ZINC000335147689 375174814 /nfs/dbraw/zinc/17/48/14/375174814.db2.gz RERBZMZOWNRRDJ-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM Cn1ccc2ccc(NC(=O)c3ccc([O-])cc3F)cc21 ZINC000188533293 375226369 /nfs/dbraw/zinc/22/63/69/375226369.db2.gz SHJCEGBFVKESEQ-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM Cc1cc(F)cc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000335793783 375435244 /nfs/dbraw/zinc/43/52/44/375435244.db2.gz DDGBVCNVMJKZBR-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CCc1ccc(C(=O)N2CCc3c2cccc3F)c([O-])c1 ZINC000189753268 375444086 /nfs/dbraw/zinc/44/40/86/375444086.db2.gz OJUAECWUPSQGDZ-UHFFFAOYSA-N -1 1 285.318 3.297 20 0 CGADMM CN(Cc1ccsc1)Cc1ccsc1C(=O)[O-] ZINC000110955418 542002367 /nfs/dbraw/zinc/00/23/67/542002367.db2.gz RMVMLXRLNKKYEP-UHFFFAOYSA-N -1 1 267.375 3.140 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cc(F)ccc1F ZINC000335960117 375571951 /nfs/dbraw/zinc/57/19/51/375571951.db2.gz UNVBHCZOAXJSKG-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM CN(C[C@@H]1CC=CCC1)C(=O)c1c(F)ccc([O-])c1F ZINC000335997763 375603521 /nfs/dbraw/zinc/60/35/21/375603521.db2.gz UTFFHHTWSHKLON-SNVBAGLBSA-N -1 1 281.302 3.099 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2cccnc2)n1 ZINC000497664300 375607740 /nfs/dbraw/zinc/60/77/40/375607740.db2.gz WZAHPZLAFGJMJP-JTQLQIEISA-N -1 1 275.377 3.383 20 0 CGADMM CCc1nnc(NC(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC000192168843 375705767 /nfs/dbraw/zinc/70/57/67/375705767.db2.gz NKRQRTIGSJDZOC-UHFFFAOYSA-N -1 1 298.755 3.104 20 0 CGADMM CC[C@H]1C[C@H](C)CN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000336179086 375751958 /nfs/dbraw/zinc/75/19/58/375751958.db2.gz JXQCYQKKRSEUPT-ONGXEEELSA-N -1 1 297.782 3.315 20 0 CGADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000519399623 375836290 /nfs/dbraw/zinc/83/62/90/375836290.db2.gz XPPISNHTCNIVOE-GRYCIOLGSA-N -1 1 294.395 3.076 20 0 CGADMM COc1ccc(CN(C)Cc2csc(C(=O)[O-])c2)cc1 ZINC000519605132 375850072 /nfs/dbraw/zinc/85/00/72/375850072.db2.gz LXIOJARIETWPOA-UHFFFAOYSA-N -1 1 291.372 3.087 20 0 CGADMM [O-]c1cccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1Cl ZINC000336613971 375875825 /nfs/dbraw/zinc/87/58/25/375875825.db2.gz NXHBGXXKNVRTAK-OLZOCXBDSA-N -1 1 281.783 3.047 20 0 CGADMM COC(=O)c1c[n-]c(SCCCSCC(C)C)n1 ZINC000193542909 375892461 /nfs/dbraw/zinc/89/24/61/375892461.db2.gz VVJXSIVJOBPJRU-UHFFFAOYSA-N -1 1 288.438 3.068 20 0 CGADMM CC(C)c1[nH]ncc1C(=O)Nc1ccc(Cl)cc1O ZINC000193752179 375918175 /nfs/dbraw/zinc/91/81/75/375918175.db2.gz ZYZMJXCFGWCSAQ-UHFFFAOYSA-N -1 1 279.727 3.144 20 0 CGADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1ccoc1C1CC1 ZINC000336952462 376040406 /nfs/dbraw/zinc/04/04/06/376040406.db2.gz VWHCGFPTCKRVRT-UHFFFAOYSA-N -1 1 299.355 3.283 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000235633214 376647075 /nfs/dbraw/zinc/64/70/75/376647075.db2.gz NFNIHAIHQOOZBH-WPRPVWTQSA-N -1 1 298.180 3.073 20 0 CGADMM CCO[C@@H](CC)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000157368515 542133380 /nfs/dbraw/zinc/13/33/80/542133380.db2.gz USHDOKDLDPFSIA-NSHDSACASA-N -1 1 266.272 3.069 20 0 CGADMM O=C(Nc1scnc1-c1ccccc1)c1cncc([O-])c1 ZINC000339933022 376873069 /nfs/dbraw/zinc/87/30/69/376873069.db2.gz YENJCNAVFYSQCT-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM Oc1cccnc1C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000558400765 377002449 /nfs/dbraw/zinc/00/24/49/377002449.db2.gz ZGEBXPMWDDLQMY-UHFFFAOYSA-N -1 1 286.350 3.339 20 0 CGADMM O=C(CCc1ccsc1)Nc1ccc(F)cc1[O-] ZINC000340331931 377007081 /nfs/dbraw/zinc/00/70/81/377007081.db2.gz TWZQOFUJGMENTD-UHFFFAOYSA-N -1 1 265.309 3.164 20 0 CGADMM CC(=O)c1[n-]c(=N[C@H]2CCc3ccc(F)cc32)sc1C ZINC000562531302 377325588 /nfs/dbraw/zinc/32/55/88/377325588.db2.gz QGYZPYDZKKDLRT-ZDUSSCGKSA-N -1 1 290.363 3.315 20 0 CGADMM C[C@H](NCc1n[nH]c(=O)[n-]1)c1ccc(-c2ccccc2)cc1 ZINC000341058178 377378985 /nfs/dbraw/zinc/37/89/85/377378985.db2.gz KVKSNTWIMWYKFP-LBPRGKRZSA-N -1 1 294.358 3.028 20 0 CGADMM CCOC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000313454444 249091835 /nfs/dbraw/zinc/09/18/35/249091835.db2.gz AKLDSYUKMSINSX-GFCCVEGCSA-N -1 1 297.782 3.077 20 0 CGADMM CCCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)C(C)C ZINC000563406884 321995568 /nfs/dbraw/zinc/99/55/68/321995568.db2.gz GFPQCGBJUCVQQA-UHFFFAOYSA-N -1 1 285.771 3.315 20 0 CGADMM CCCCCc1nnc([N-]C(=O)c2ncoc2CC)s1 ZINC000265736321 190202765 /nfs/dbraw/zinc/20/27/65/190202765.db2.gz ZGMRLBXVPQVQPK-UHFFFAOYSA-N -1 1 294.380 3.074 20 0 CGADMM CCCc1nc(CN(CCC(=O)[O-])CC(C)C)cs1 ZINC000574763088 377706011 /nfs/dbraw/zinc/70/60/11/377706011.db2.gz ISOIGSTULPNGHG-UHFFFAOYSA-N -1 1 284.425 3.028 20 0 CGADMM CC(C)(CCN[C@@H](CCc1ccccc1)C(F)F)C(=O)[O-] ZINC000263087021 377917611 /nfs/dbraw/zinc/91/76/11/377917611.db2.gz STYKFUSISUPETB-ZDUSSCGKSA-N -1 1 299.361 3.343 20 0 CGADMM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000343604918 378036477 /nfs/dbraw/zinc/03/64/77/378036477.db2.gz OGEWCTAMNAKCKM-LRDDRELGSA-N -1 1 285.347 3.157 20 0 CGADMM COc1cc(C(=O)NC[C@H]2CCC[C@H]2C)cc(Cl)c1[O-] ZINC000343890746 378126843 /nfs/dbraw/zinc/12/68/43/378126843.db2.gz XVBKYQIDJIDCNG-NXEZZACHSA-N -1 1 297.782 3.220 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000345334265 378259260 /nfs/dbraw/zinc/25/92/60/378259260.db2.gz QJSJUMGDRGKTNH-RKDXNWHRSA-N -1 1 253.729 3.420 20 0 CGADMM C[N@@H+](Cc1cc(O)cc(F)c1)[C@@H](CCO)c1ccccc1 ZINC000274558593 378850315 /nfs/dbraw/zinc/85/03/15/378850315.db2.gz JSZARTHNNGITMV-KRWDZBQOSA-N -1 1 289.350 3.087 20 0 CGADMM CC(C)c1nc(=NCCCCOc2ccc(F)cc2)o[n-]1 ZINC000346869082 218042662 /nfs/dbraw/zinc/04/26/62/218042662.db2.gz SEWRWVCIDXVZBM-UHFFFAOYSA-N -1 1 293.342 3.025 20 0 CGADMM CCc1cccc(CSc2nc(C(=O)OC)c[n-]2)c1 ZINC000278583391 194055796 /nfs/dbraw/zinc/05/57/96/194055796.db2.gz GEDJPFJUACLCKQ-UHFFFAOYSA-N -1 1 276.361 3.051 20 0 CGADMM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ncccc3[O-])C2)cc1 ZINC000278836959 194176951 /nfs/dbraw/zinc/17/69/51/194176951.db2.gz CXWPTUFVVWUHSN-DZGCQCFKSA-N -1 1 296.370 3.114 20 0 CGADMM CCOc1cc(-c2noc(C3CC3)n2)cc(Cl)c1[O-] ZINC000277848013 379248526 /nfs/dbraw/zinc/24/85/26/379248526.db2.gz JFRJYIQLPUBZFW-UHFFFAOYSA-N -1 1 280.711 3.372 20 0 CGADMM C[C@@]1(c2nc(-c3ccc([O-])cc3Cl)no2)CCCOC1 ZINC000278208930 379317408 /nfs/dbraw/zinc/31/74/08/379317408.db2.gz QCABTYHYXFJIQA-CQSZACIVSA-N -1 1 294.738 3.164 20 0 CGADMM COCCC[C@@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000278128724 379296895 /nfs/dbraw/zinc/29/68/95/379296895.db2.gz KCMUBOXMCFVUNE-SECBINFHSA-N -1 1 280.299 3.111 20 0 CGADMM CCOc1cc(-c2noc(CC)n2)cc(Cl)c1[O-] ZINC000278172509 379308058 /nfs/dbraw/zinc/30/80/58/379308058.db2.gz WLDWQWKGHXHLHR-UHFFFAOYSA-N -1 1 268.700 3.057 20 0 CGADMM COc1ccc(-c2nc(-c3ccc(Cl)o3)no2)c([O-])c1 ZINC000350911054 379610266 /nfs/dbraw/zinc/61/02/66/379610266.db2.gz PUFMLROIUBMQLQ-UHFFFAOYSA-N -1 1 292.678 3.364 20 0 CGADMM CC1(C)CCCN1C(=O)N=c1[n-]sc2ccccc21 ZINC000640341050 379771100 /nfs/dbraw/zinc/77/11/00/379771100.db2.gz QRGFPDASCQLSGF-UHFFFAOYSA-N -1 1 275.377 3.125 20 0 CGADMM CCOc1ccc2c(c1)CC[N@H+](Cc1nc(C)ccc1O)C2 ZINC000354126741 380338616 /nfs/dbraw/zinc/33/86/16/380338616.db2.gz LFEPXPRTBIVAQI-UHFFFAOYSA-N -1 1 298.386 3.053 20 0 CGADMM CC(C)(C)CC[C@@H]([NH2+]Cc1cccc([O-])c1Cl)C(=O)[O-] ZINC000414660763 380356020 /nfs/dbraw/zinc/35/60/20/380356020.db2.gz PTDLZUGJSJYHOB-LLVKDONJSA-N -1 1 299.798 3.415 20 0 CGADMM [O-]c1cccnc1CN[C@@H](CCc1ccccc1)C(F)F ZINC000355318239 380639332 /nfs/dbraw/zinc/63/93/32/380639332.db2.gz QBMSKMUXNGTGOM-ZDUSSCGKSA-N -1 1 292.329 3.143 20 0 CGADMM CC(C)c1cc(CNCc2cccc([O-])c2Cl)on1 ZINC000645155911 380598203 /nfs/dbraw/zinc/59/82/03/380598203.db2.gz ZOCLBGBXEFWLRT-UHFFFAOYSA-N -1 1 280.755 3.447 20 0 CGADMM CC(C)n1ccc(CNCc2cccc([O-])c2Cl)n1 ZINC000645156639 380598683 /nfs/dbraw/zinc/59/86/83/380598683.db2.gz LMVYSRQMDRDBIX-UHFFFAOYSA-N -1 1 279.771 3.113 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CC2CCC1CC2 ZINC000645926967 380780725 /nfs/dbraw/zinc/78/07/25/380780725.db2.gz YSAVSYJYDVKPCM-VQXHTEKXSA-N -1 1 263.312 3.296 20 0 CGADMM [O-]c1cccc(CN2CCOC[C@@H]2c2ccco2)c1Cl ZINC000646085345 380825647 /nfs/dbraw/zinc/82/56/47/380825647.db2.gz YEXIQSIBMATPQY-GFCCVEGCSA-N -1 1 293.750 3.212 20 0 CGADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1sc(CC)nc1C ZINC000572368101 322333660 /nfs/dbraw/zinc/33/36/60/322333660.db2.gz TXPLKNNFMCWFQH-SNVBAGLBSA-N -1 1 290.454 3.334 20 0 CGADMM COc1nc(C)ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000357348544 381118397 /nfs/dbraw/zinc/11/83/97/381118397.db2.gz AIJHUYLCZXOYMK-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM O=C([N-]c1c(F)cccc1F)c1ocnc1C1CC1 ZINC000334816205 207124718 /nfs/dbraw/zinc/12/47/18/207124718.db2.gz IURAZQQBHRRMDW-UHFFFAOYSA-N -1 1 264.231 3.083 20 0 CGADMM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000281082046 195095849 /nfs/dbraw/zinc/09/58/49/195095849.db2.gz FFAOTFKTMVUVHZ-JQWIXIFHSA-N -1 1 281.327 3.065 20 0 CGADMM [O-]c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1F ZINC000445478033 285383428 /nfs/dbraw/zinc/38/34/28/285383428.db2.gz PGTBTNRMMZRADW-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM COc1c(F)cc(F)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000436582154 533429833 /nfs/dbraw/zinc/42/98/33/533429833.db2.gz DBEHYSGGFQKQGO-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000048653073 392007542 /nfs/dbraw/zinc/00/75/42/392007542.db2.gz VKMPWNTWHUXTQC-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000048652402 392007642 /nfs/dbraw/zinc/00/76/42/392007642.db2.gz VWVZAQHLVUDZGQ-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM COc1ccccc1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000067739017 392159453 /nfs/dbraw/zinc/15/94/53/392159453.db2.gz NYTXLUHTBPMSPA-UHFFFAOYSA-N -1 1 291.734 3.235 20 0 CGADMM C[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000068838023 392168008 /nfs/dbraw/zinc/16/80/08/392168008.db2.gz SXQNBTDCSJKBIF-SNVBAGLBSA-N -1 1 277.393 3.019 20 0 CGADMM Cc1ccc(O)c(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)n1 ZINC000372690446 392627759 /nfs/dbraw/zinc/62/77/59/392627759.db2.gz HOLIYEAIXAVUAA-WBMJQRKESA-N -1 1 283.375 3.074 20 0 CGADMM CO[C@@H](C)c1nc(=N[C@@H](C)CC2CCCCC2)s[n-]1 ZINC000509867495 392775207 /nfs/dbraw/zinc/77/52/07/392775207.db2.gz GVSUEWKXCNUEKL-QWRGUYRKSA-N -1 1 283.441 3.438 20 0 CGADMM CSC1(CNC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000194678488 392935292 /nfs/dbraw/zinc/93/52/92/392935292.db2.gz MVRMYKFAIQFWOL-UHFFFAOYSA-N -1 1 287.384 3.171 20 0 CGADMM CO[C@@H](CC(C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000416181095 393276462 /nfs/dbraw/zinc/27/64/62/393276462.db2.gz RBIIKQFFIKVDJN-LBPRGKRZSA-N -1 1 271.744 3.045 20 0 CGADMM COCC(C)(C)Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000420492444 393489332 /nfs/dbraw/zinc/48/93/32/393489332.db2.gz JPQGNCWMZSPBRP-UHFFFAOYSA-N -1 1 296.754 3.311 20 0 CGADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000443405057 393755616 /nfs/dbraw/zinc/75/56/16/393755616.db2.gz IUBJHLDLCVTVBO-UHFFFAOYSA-N -1 1 295.335 3.025 20 0 CGADMM CCC1(c2nc(-c3ccc([O-])cc3F)no2)CCC1 ZINC000445454061 393794943 /nfs/dbraw/zinc/79/49/43/393794943.db2.gz JUHOCLWKTLSHMS-UHFFFAOYSA-N -1 1 262.284 3.413 20 0 CGADMM Cc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1O ZINC000445457162 393796610 /nfs/dbraw/zinc/79/66/10/393796610.db2.gz XJYCTVIIEDOVCL-UHFFFAOYSA-N -1 1 286.262 3.262 20 0 CGADMM CC[C@H]1CCC[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC000452524067 394078284 /nfs/dbraw/zinc/07/82/84/394078284.db2.gz HBYLBHRVOINUJN-QWRGUYRKSA-N -1 1 265.328 3.087 20 0 CGADMM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000457307812 394343779 /nfs/dbraw/zinc/34/37/79/394343779.db2.gz WAEGOAUZWFZAQF-XHDPSFHLSA-N -1 1 283.318 3.225 20 0 CGADMM O=C([O-])C[C@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000668158053 542977841 /nfs/dbraw/zinc/97/78/41/542977841.db2.gz SOXWVBIIRBLFQM-LLVKDONJSA-N -1 1 288.322 3.065 20 0 CGADMM C[C@H]1CCCCCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000668771469 543058629 /nfs/dbraw/zinc/05/86/29/543058629.db2.gz PJVHQVHZTBYCMQ-LBPRGKRZSA-N -1 1 284.359 3.345 20 0 CGADMM O=C(Nc1csc(-c2ccccc2)n1)c1cncc([O-])c1 ZINC000672334000 543209651 /nfs/dbraw/zinc/20/96/51/543209651.db2.gz CMPANTBLQWHAFW-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM CCc1c(C)[n-]n(Cc2ccc(Cl)cc2)c1=O ZINC000109362654 397653652 /nfs/dbraw/zinc/65/36/52/397653652.db2.gz HUJUPKHJUUIHNT-GFCCVEGCSA-N -1 1 250.729 3.084 20 0 CGADMM O=c1c2c([n-]n1Cc1ccc(Cl)cc1)CCCC2 ZINC000109362661 397653687 /nfs/dbraw/zinc/65/36/87/397653687.db2.gz PHSZHJKALKSFAH-GFCCVEGCSA-N -1 1 262.740 3.228 20 0 CGADMM CCO[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000394643870 397695724 /nfs/dbraw/zinc/69/57/24/397695724.db2.gz IEQROSZEFPQWNG-LBPRGKRZSA-N -1 1 297.782 3.039 20 0 CGADMM O=C(NCC[C@@H]1CCc2ccccc21)c1ccc([O-])c(F)c1 ZINC000650534627 397865174 /nfs/dbraw/zinc/86/51/74/397865174.db2.gz YDFLKDHLLXMBQK-ZDUSSCGKSA-N -1 1 299.345 3.381 20 0 CGADMM C[C@H](Sc1ccccn1)C(=O)Nc1c([O-])cccc1F ZINC000675600946 543348190 /nfs/dbraw/zinc/34/81/90/543348190.db2.gz OLFLTRJITIZGQV-VIFPVBQESA-N -1 1 292.335 3.046 20 0 CGADMM Cc1c(C(=O)Nc2c([O-])cccc2F)cnn1C(C)(C)C ZINC000678374337 543519371 /nfs/dbraw/zinc/51/93/71/543519371.db2.gz FNINAYDRYQETOG-UHFFFAOYSA-N -1 1 291.326 3.044 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cn1 ZINC000121330291 287196923 /nfs/dbraw/zinc/19/69/23/287196923.db2.gz HLQJQKCEMXGZJM-UHFFFAOYSA-N -1 1 290.388 3.314 20 0 CGADMM O=C([O-])C[C@H](NCc1ccccc1F)c1cccs1 ZINC000037088307 172945176 /nfs/dbraw/zinc/94/51/76/172945176.db2.gz AYFBZUZIQRPHMJ-LBPRGKRZSA-N -1 1 279.336 3.193 20 0 CGADMM CC[C@H](C)CN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000037173897 173007879 /nfs/dbraw/zinc/00/78/79/173007879.db2.gz UZICVPDDDPQRPF-VIFPVBQESA-N -1 1 255.745 3.164 20 0 CGADMM CCc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000048653428 416456853 /nfs/dbraw/zinc/45/68/53/416456853.db2.gz GTPGHQXFTAKCGM-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000312273062 416534267 /nfs/dbraw/zinc/53/42/67/416534267.db2.gz ANVWRGPSXVVEBB-FOGDFJRCSA-N -1 1 283.318 3.068 20 0 CGADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)CCc2ccccc21 ZINC000404758064 416556112 /nfs/dbraw/zinc/55/61/12/416556112.db2.gz AQTVCYXIFBMHCR-GFCCVEGCSA-N -1 1 299.345 3.333 20 0 CGADMM CCC[C@H]1C[C@H](C(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679562087 543647308 /nfs/dbraw/zinc/64/73/08/543647308.db2.gz ZXYIHKBOHYUFOC-MNOVXSKESA-N -1 1 281.327 3.065 20 0 CGADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679812086 543661693 /nfs/dbraw/zinc/66/16/93/543661693.db2.gz IXFKSMYITYGESO-FZMZJTMJSA-N -1 1 295.354 3.311 20 0 CGADMM CC[C@H]1C[C@@H](CC(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679812723 543661769 /nfs/dbraw/zinc/66/17/69/543661769.db2.gz PBYKGDNTDOPLDQ-QWRGUYRKSA-N -1 1 281.327 3.065 20 0 CGADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1c([O-])cccc1F)CC2 ZINC000681229421 543775797 /nfs/dbraw/zinc/77/57/97/543775797.db2.gz KBELBEWESSHEJL-AWEZNQCLSA-N -1 1 285.318 3.257 20 0 CGADMM C[C@@H]1c2ccsc2CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681014934 543756932 /nfs/dbraw/zinc/75/69/32/543756932.db2.gz ACDCBCDVVZTWNQ-SECBINFHSA-N -1 1 291.347 3.352 20 0 CGADMM CCC[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccccn1 ZINC000681043133 543759540 /nfs/dbraw/zinc/75/95/40/543759540.db2.gz XPSKMMQWFLJUKC-AWEZNQCLSA-N -1 1 288.322 3.198 20 0 CGADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681037542 543759925 /nfs/dbraw/zinc/75/99/25/543759925.db2.gz GUJCHZQLTFONJC-CQSZACIVSA-N -1 1 299.345 3.469 20 0 CGADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccc([O-])c(F)c1 ZINC000681044173 543760186 /nfs/dbraw/zinc/76/01/86/543760186.db2.gz WQRBKOJGSAOPAT-CQSZACIVSA-N -1 1 289.281 3.088 20 0 CGADMM CCc1ccccc1CNC(=O)c1ccc([O-])c(F)c1 ZINC000681049883 543760628 /nfs/dbraw/zinc/76/06/28/543760628.db2.gz VNNSTHJEHJMHQA-UHFFFAOYSA-N -1 1 273.307 3.024 20 0 CGADMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc([O-])c(F)c1 ZINC000681051099 543761681 /nfs/dbraw/zinc/76/16/81/543761681.db2.gz SDBYIXOAMBRZIF-DMDPSCGWSA-N -1 1 277.339 3.230 20 0 CGADMM O=C([N-]c1cnoc1)c1ncsc1-c1ccccc1 ZINC000682080819 543824501 /nfs/dbraw/zinc/82/45/01/543824501.db2.gz SERRYKYDTNMMJO-UHFFFAOYSA-N -1 1 271.301 3.050 20 0 CGADMM O=C(Nc1ccccc1-c1cn[nH]c1)c1ccc([O-])c(F)c1 ZINC000682232139 543835690 /nfs/dbraw/zinc/83/56/90/543835690.db2.gz ANBDODJWNRBSFG-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM CC[C@@H](C)[C@H](NC(=O)c1ccc([O-])c(F)c1)C(F)(F)F ZINC000683514963 543918845 /nfs/dbraw/zinc/91/88/45/543918845.db2.gz KUPAWDBDTJPZAQ-HQJQHLMTSA-N -1 1 293.260 3.238 20 0 CGADMM C[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870171 544035217 /nfs/dbraw/zinc/03/52/17/544035217.db2.gz QKVDKMWXKNCNGI-VIFPVBQESA-N -1 1 287.281 3.426 20 0 CGADMM C[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870170 544035236 /nfs/dbraw/zinc/03/52/36/544035236.db2.gz QKVDKMWXKNCNGI-SECBINFHSA-N -1 1 287.281 3.426 20 0 CGADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cccs1 ZINC000147655610 287495789 /nfs/dbraw/zinc/49/57/89/287495789.db2.gz DXFBEBAHSZEHRE-MRVPVSSYSA-N -1 1 265.309 3.084 20 0 CGADMM C[C@@H](c1ccc2ccccc2c1)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000652509042 418976443 /nfs/dbraw/zinc/97/64/43/418976443.db2.gz QXXWYVJWDYAQTE-IIYDPXPESA-N -1 1 299.370 3.075 20 0 CGADMM CC(C)C1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000150841410 287500942 /nfs/dbraw/zinc/50/09/42/287500942.db2.gz AXGPADREJHLZNL-UHFFFAOYSA-N -1 1 293.388 3.147 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1coc(C2CCC2)n1 ZINC000654307861 418958720 /nfs/dbraw/zinc/95/87/20/418958720.db2.gz FARQFDNKLQATDQ-UHFFFAOYSA-N -1 1 294.257 3.178 20 0 CGADMM C[C@]12CN(C(=O)c3ccc([O-])c(F)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000654465618 418977822 /nfs/dbraw/zinc/97/78/22/418977822.db2.gz SNTORVWJBBQPEF-FIHUPRISSA-N -1 1 289.350 3.040 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1nc(C(C)C)oc1C ZINC000652877901 418999070 /nfs/dbraw/zinc/99/90/70/418999070.db2.gz KWJYMBOPDWIYIZ-UHFFFAOYSA-N -1 1 291.376 3.476 20 0 CGADMM [O-]c1ccc(-c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)c(F)c1 ZINC000656046950 419135490 /nfs/dbraw/zinc/13/54/90/419135490.db2.gz CUEKYAWUKBNQTF-MKPLZMMCSA-N -1 1 274.295 3.485 20 0 CGADMM Cc1ccc(O)c(CN2C[C@@H](C)OC3(CCCCC3)C2)n1 ZINC000656280775 419166134 /nfs/dbraw/zinc/16/61/34/419166134.db2.gz JXNVZDKNJRZCNO-CQSZACIVSA-N -1 1 290.407 3.019 20 0 CGADMM Cc1ccc2[nH]c3c(c2c1)CN(CCCCC(=O)[O-])CC3 ZINC000656766326 419212828 /nfs/dbraw/zinc/21/28/28/419212828.db2.gz OLUKKGZEMYZGNY-UHFFFAOYSA-N -1 1 286.375 3.089 20 0 CGADMM CCC[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccccn1 ZINC000666574331 419226860 /nfs/dbraw/zinc/22/68/60/419226860.db2.gz KVAVHHZZEWIBDD-OAHLLOKOSA-N -1 1 284.359 3.411 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H](OC)C2CCCC2)n1 ZINC000657256600 419238093 /nfs/dbraw/zinc/23/80/93/419238093.db2.gz IEXFXVOFPBZMRA-GFCCVEGCSA-N -1 1 282.409 3.042 20 0 CGADMM Cc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000007670880 270026162 /nfs/dbraw/zinc/02/61/62/270026162.db2.gz DYNKFCQHLCEDND-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM CC1(C)CCC[C@@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000227312153 270087151 /nfs/dbraw/zinc/08/71/51/270087151.db2.gz ZXNIAMOCBZOUSE-SNVBAGLBSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@@H]1[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)[C@@H]1C1CC1 ZINC000528172514 270156392 /nfs/dbraw/zinc/15/63/92/270156392.db2.gz XWHPAFRAGQWTHR-WCDAPOTHSA-N -1 1 274.295 3.341 20 0 CGADMM Cc1cnc(C(=O)N(C)C[C@@H](C)C2CCCCC2)c([O-])c1 ZINC000530040806 270193634 /nfs/dbraw/zinc/19/36/34/270193634.db2.gz WKGAUTZZYQQWOG-CYBMUJFWSA-N -1 1 290.407 3.384 20 0 CGADMM Cc1ccc(CCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000531756358 270209436 /nfs/dbraw/zinc/20/94/36/270209436.db2.gz SVNLYDXUCYSBSM-UHFFFAOYSA-N -1 1 273.307 3.411 20 0 CGADMM O=C(CC1CCSCC1)Nc1ccc(F)cc1[O-] ZINC000531756017 270209475 /nfs/dbraw/zinc/20/94/75/270209475.db2.gz HVQMHWFWKNHAKY-UHFFFAOYSA-N -1 1 269.341 3.003 20 0 CGADMM CCCC(O)(CCC)CN=c1[n-]c(C(F)(F)F)cs1 ZINC000533205019 270222129 /nfs/dbraw/zinc/22/21/29/270222129.db2.gz NAAIGSTYYBJTDV-UHFFFAOYSA-N -1 1 296.358 3.327 20 0 CGADMM CC(=O)c1[n-]c(=N[C@H]2CCOc3ccccc32)sc1C ZINC000450225571 275501010 /nfs/dbraw/zinc/50/10/10/275501010.db2.gz ZCHRUMDHUXKGIU-LBPRGKRZSA-N -1 1 288.372 3.012 20 0 CGADMM CC[C@H]1CN(Cc2cccc([O-])c2Cl)C[C@H](CC)O1 ZINC000398717457 288047882 /nfs/dbraw/zinc/04/78/82/288047882.db2.gz HJHPVRVEHPIRML-STQMWFEESA-N -1 1 283.799 3.435 20 0 CGADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000399681280 288053562 /nfs/dbraw/zinc/05/35/62/288053562.db2.gz QFFVGUQXKIXNOL-ONGXEEELSA-N -1 1 267.756 3.306 20 0 CGADMM Cc1nc(C2CC2)ccc1C(=O)Nc1cccc(F)c1[O-] ZINC000530003570 288280484 /nfs/dbraw/zinc/28/04/84/288280484.db2.gz BGKNCSIWGYBBDT-UHFFFAOYSA-N -1 1 286.306 3.364 20 0 CGADMM CCC[C@H](C(=O)Nc1cccc(F)c1[O-])c1ccccn1 ZINC000530004717 288281036 /nfs/dbraw/zinc/28/10/36/288281036.db2.gz FTTUIMQHRFEQCV-NSHDSACASA-N -1 1 288.322 3.449 20 0 CGADMM CC[C@H](C)n1nc(C(=O)Nc2cccc(F)c2[O-])cc1C ZINC000530005932 288281625 /nfs/dbraw/zinc/28/16/25/288281625.db2.gz ONEQDSMTNIMDEC-VIFPVBQESA-N -1 1 291.326 3.260 20 0 CGADMM CC[C@@H](CC(F)F)C(=O)Nc1cccc(F)c1[O-] ZINC000530006171 288281674 /nfs/dbraw/zinc/28/16/74/288281674.db2.gz QOOQRIGGIWFTFR-ZETCQYMHSA-N -1 1 261.243 3.151 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCCCC(=O)C1 ZINC000530006937 288282489 /nfs/dbraw/zinc/28/24/89/288282489.db2.gz YFRSAYFWXRDTAJ-SNVBAGLBSA-N -1 1 279.311 3.009 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CC[C@@H]3CCC[C@H]3C2)s[n-]1 ZINC000337852132 294343566 /nfs/dbraw/zinc/34/35/66/294343566.db2.gz GELFLZRKVQAIGN-NOOOWODRSA-N -1 1 281.425 3.048 20 0 CGADMM COc1cc2[nH]c(-c3ccc(C(=O)[O-])cc3)nc2cc1C ZINC000446157349 295028734 /nfs/dbraw/zinc/02/87/34/295028734.db2.gz QJUYUPALBZGLDE-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@]2(CC=CCC2)C1 ZINC000154895099 304526900 /nfs/dbraw/zinc/52/69/00/304526900.db2.gz MYGWSEZDBYKMDR-KRWDZBQOSA-N -1 1 289.350 3.494 20 0 CGADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000092599641 300062812 /nfs/dbraw/zinc/06/28/12/300062812.db2.gz BWRCUXZXPQMQTB-IUCAKERBSA-N -1 1 298.180 3.168 20 0 CGADMM C[C@H]1COc2ccccc2CN1Cc1ccc(C(=O)[O-])cc1 ZINC000263581585 300370745 /nfs/dbraw/zinc/37/07/45/300370745.db2.gz XJAYUGPGTLLTCG-ZDUSSCGKSA-N -1 1 297.354 3.168 20 0 CGADMM Cc1cnc(C(=O)N(C2CC2)C2CCC(C)CC2)c([O-])c1 ZINC000408226004 302331024 /nfs/dbraw/zinc/33/10/24/302331024.db2.gz ZGYCPJLFDVIMPV-UHFFFAOYSA-N -1 1 288.391 3.279 20 0 CGADMM C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C[C@H]1C ZINC000153755331 321726523 /nfs/dbraw/zinc/72/65/23/321726523.db2.gz SEPXZFMNJPECHI-VHSXEESVSA-N -1 1 267.756 3.164 20 0 CGADMM O=C([O-])c1ccc(CNCc2ccsc2)nc1C1CC1 ZINC000563585280 322003723 /nfs/dbraw/zinc/00/37/23/322003723.db2.gz ILDXQIALCPBUOR-UHFFFAOYSA-N -1 1 288.372 3.009 20 0 CGADMM C[C@H](c1ccc(C(=O)[O-])o1)[N@H+]1CCSC2(CCC2)CC1 ZINC000563976926 322017114 /nfs/dbraw/zinc/01/71/14/322017114.db2.gz SDYFKRFHCGNTHD-LLVKDONJSA-N -1 1 295.404 3.400 20 0 CGADMM O=C([O-])c1ccoc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000565103863 322060415 /nfs/dbraw/zinc/06/04/15/322060415.db2.gz QQJTUHOZEXRKLU-AWEZNQCLSA-N -1 1 289.306 3.454 20 0 CGADMM O=C([O-])[C@@H](c1ccsc1)N1CCc2ccc(F)cc2C1 ZINC000565106354 322061204 /nfs/dbraw/zinc/06/12/04/322061204.db2.gz WUROSAVECQOYKI-CQSZACIVSA-N -1 1 291.347 3.071 20 0 CGADMM [O-]c1ccc(-c2noc(C[C@@H]3C=CCCC3)n2)cc1F ZINC000567311110 322158282 /nfs/dbraw/zinc/15/82/82/322158282.db2.gz RRFOVDCCDRGEIP-SNVBAGLBSA-N -1 1 274.295 3.480 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CC[C@H]4C[C@H]4C3)n2)c(F)c1 ZINC000567600563 322169766 /nfs/dbraw/zinc/16/97/66/322169766.db2.gz HKVFEHMBSUVQJU-AEJSXWLSSA-N -1 1 274.295 3.485 20 0 CGADMM Cc1cnc(SC[C@H]2CCc3ccccc32)[n-]c1=O ZINC000567916540 322183172 /nfs/dbraw/zinc/18/31/72/322183172.db2.gz XKQDWSVKDCKPQA-GFCCVEGCSA-N -1 1 272.373 3.313 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3C3CC3)n2)cc1F ZINC000568953179 322228751 /nfs/dbraw/zinc/22/87/51/322228751.db2.gz JJHVCHOEWHGVPZ-NXEZZACHSA-N -1 1 260.268 3.095 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3C[C@H]3C3CC3)n2)cc1F ZINC000568953180 322228901 /nfs/dbraw/zinc/22/89/01/322228901.db2.gz JJHVCHOEWHGVPZ-UWVGGRQHSA-N -1 1 260.268 3.095 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3C3CC3)n2)cc1F ZINC000568953181 322228922 /nfs/dbraw/zinc/22/89/22/322228922.db2.gz JJHVCHOEWHGVPZ-VHSXEESVSA-N -1 1 260.268 3.095 20 0 CGADMM Cc1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)s1 ZINC000570456641 322273977 /nfs/dbraw/zinc/27/39/77/322273977.db2.gz HPDRXEDOXWBJMZ-UHFFFAOYSA-N -1 1 279.361 3.288 20 0 CGADMM FC(F)(F)c1nc(=NC[C@@H]2C[C@H]2c2ccccc2)s[n-]1 ZINC000571179815 322292410 /nfs/dbraw/zinc/29/24/10/322292410.db2.gz CZPUMTSRNBIDMY-UWVGGRQHSA-N -1 1 299.321 3.194 20 0 CGADMM O=C([O-])[C@@H](NCc1cccc(F)c1F)c1ccc(F)cc1 ZINC000571592665 322302708 /nfs/dbraw/zinc/30/27/08/322302708.db2.gz NBSLBHHTTPZWOA-AWEZNQCLSA-N -1 1 295.260 3.019 20 0 CGADMM CCCc1nc(-c2nc3ccc(F)cc3c(=O)[n-]2)co1 ZINC000572641336 322347822 /nfs/dbraw/zinc/34/78/22/322347822.db2.gz CYXVWRBNXRAJEL-UHFFFAOYSA-N -1 1 273.267 3.082 20 0 CGADMM COc1cccc(Cl)c1CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000573332257 322382722 /nfs/dbraw/zinc/38/27/22/322382722.db2.gz SZMSFKIUAVLYTG-SNVBAGLBSA-N -1 1 297.782 3.034 20 0 CGADMM COCC[C@@H](Sc1ncc(C)c(=O)[n-]1)c1ccccc1 ZINC000573743933 322404669 /nfs/dbraw/zinc/40/46/69/322404669.db2.gz VZSFLXCKJWSTIE-CYBMUJFWSA-N -1 1 290.388 3.361 20 0 CGADMM C[C@H]1CC[C@@H](N(C)C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436854327 533707327 /nfs/dbraw/zinc/70/73/27/533707327.db2.gz RXIDAGVIMHWKOG-GXSJLCMTSA-N -1 1 267.756 3.306 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\C3CCOCC3)n2)cc1F ZINC000582465729 329088224 /nfs/dbraw/zinc/08/82/24/329088224.db2.gz RZSQWFLQBIFQNC-RJRFIUFISA-N -1 1 290.294 3.021 20 0 CGADMM Cc1cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)oc1C(=O)[O-] ZINC000582670964 329122608 /nfs/dbraw/zinc/12/26/08/329122608.db2.gz DCFWGROZOUXSCI-OLZOCXBDSA-N -1 1 295.404 3.146 20 0 CGADMM C[C@H]1CN(C(=O)c2cncc([O-])c2)CC[C@H]1c1ccccc1 ZINC000174230136 335150884 /nfs/dbraw/zinc/15/08/84/335150884.db2.gz YMJIVKKLCWFBPS-SUMWQHHRSA-N -1 1 296.370 3.053 20 0 CGADMM Cc1cnc(CNC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000174387753 335153528 /nfs/dbraw/zinc/15/35/28/335153528.db2.gz LAOVJMJIDXEBBO-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM CCc1nc(S[C@H]2CC[C@H](C)C2)[n-]c(=O)c1C ZINC000577125464 335305203 /nfs/dbraw/zinc/30/52/03/335305203.db2.gz RTTLNLDJKFUMPU-WPRPVWTQSA-N -1 1 252.383 3.334 20 0 CGADMM CCc1nc(S[C@H](C)C(=O)c2ccco2)[n-]c(=O)c1C ZINC000577296727 335336824 /nfs/dbraw/zinc/33/68/24/335336824.db2.gz LRTRFEMGMSCCMI-SECBINFHSA-N -1 1 292.360 3.010 20 0 CGADMM Cc1ccc2nc(-c3ccc4c(c3)CCC4)[n-]c(=O)c2c1 ZINC000577312341 335337823 /nfs/dbraw/zinc/33/78/23/335337823.db2.gz NJLGNJJPUZJLQM-UHFFFAOYSA-N -1 1 276.339 3.387 20 0 CGADMM C[C@@H]1COCC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350585538 335516815 /nfs/dbraw/zinc/51/68/15/335516815.db2.gz UBMIMLYGORAWPW-PSASIEDQSA-N -1 1 294.738 3.236 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(Cl)cn1 ZINC000194692771 336037305 /nfs/dbraw/zinc/03/73/05/336037305.db2.gz UIZGOENDIZBFEF-QMMMGPOBSA-N -1 1 294.713 3.071 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H]2C[C@@H]2C)c1 ZINC000581579873 336105402 /nfs/dbraw/zinc/10/54/02/336105402.db2.gz VERALIAWTLBKKA-DTWKUNHWSA-N -1 1 298.180 3.448 20 0 CGADMM C[C@@H]1C[C@@H]1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436956713 533730930 /nfs/dbraw/zinc/73/09/30/533730930.db2.gz OQRCDCHMUOHRHE-HTQZYQBOSA-N -1 1 264.712 3.294 20 0 CGADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(F)c(F)c1 ZINC000436756716 533747485 /nfs/dbraw/zinc/74/74/85/533747485.db2.gz DHRFNBFDXHOTRI-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM C[C@@H](CNC(=O)c1c([O-])cccc1F)c1ccc(F)cc1 ZINC000436947252 534028544 /nfs/dbraw/zinc/02/85/44/534028544.db2.gz UMWMEKVWFLMOLP-JTQLQIEISA-N -1 1 291.297 3.204 20 0 CGADMM CSc1ccc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])s1 ZINC000424420806 534207462 /nfs/dbraw/zinc/20/74/62/534207462.db2.gz QYKGTUBABNULRA-CABZTGNLSA-N -1 1 285.434 3.155 20 0 CGADMM CC(C)(C)C(=O)c1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000339916195 518595215 /nfs/dbraw/zinc/59/52/15/518595215.db2.gz HEGYUNVCPBPWJA-UHFFFAOYSA-N -1 1 298.342 3.268 20 0 CGADMM O=C(Nc1nc(C2CC2)c[nH]1)c1cc2ccccc2cc1[O-] ZINC000436709153 534472059 /nfs/dbraw/zinc/47/20/59/534472059.db2.gz MCHNHQJNYAYECI-UHFFFAOYSA-N -1 1 293.326 3.398 20 0 CGADMM Cc1c[nH]c(-c2ccccc2NC(=O)c2ccccc2[O-])n1 ZINC000367542999 534520075 /nfs/dbraw/zinc/52/00/75/534520075.db2.gz WGJVCMJRQHGOLP-UHFFFAOYSA-N -1 1 293.326 3.343 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](CC2CC2)C1 ZINC000436714615 534660683 /nfs/dbraw/zinc/66/06/83/534660683.db2.gz ITGPQZWQNBQHSQ-LLVKDONJSA-N -1 1 279.767 3.308 20 0 CGADMM CCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000050510844 523945806 /nfs/dbraw/zinc/94/58/06/523945806.db2.gz GUNRMPVLHMSYME-AWEZNQCLSA-N -1 1 275.373 3.226 20 0 CGADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000436476066 526280103 /nfs/dbraw/zinc/28/01/03/526280103.db2.gz DLYWCSAYKVJPMO-UHFFFAOYSA-N -1 1 289.356 3.139 20 0 CGADMM O=C([O-])[C@H](NCc1ccc(Cl)cc1F)c1ccccc1 ZINC000160807837 526312865 /nfs/dbraw/zinc/31/28/65/526312865.db2.gz HHRCSFWEWNEEBQ-CQSZACIVSA-N -1 1 293.725 3.395 20 0 CGADMM CC(C)(C)CN(Cc1ccccc1)C(=O)c1ncccc1[O-] ZINC000427074242 527683732 /nfs/dbraw/zinc/68/37/32/527683732.db2.gz NJCYKNLUKLZWKQ-UHFFFAOYSA-N -1 1 298.386 3.476 20 0 CGADMM CC1(NC(=O)c2cc3ccccc3cc2[O-])CCC1 ZINC000162949637 528029253 /nfs/dbraw/zinc/02/92/53/528029253.db2.gz LJTWBDQCPHJGNF-UHFFFAOYSA-N -1 1 255.317 3.218 20 0 CGADMM CC1(c2ccccc2)CC(NC(=O)c2c([O-])cccc2F)C1 ZINC000436499318 528062451 /nfs/dbraw/zinc/06/24/51/528062451.db2.gz YOPHZJUDZRVVTO-UHFFFAOYSA-N -1 1 299.345 3.381 20 0 CGADMM CCCCN(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000132931167 528335659 /nfs/dbraw/zinc/33/56/59/528335659.db2.gz DDJYHXCMJLJRPT-UHFFFAOYSA-N -1 1 286.169 3.027 20 0 CGADMM CCCOc1cccc(CNCc2cc(C(=O)[O-])co2)c1 ZINC000426698823 528758045 /nfs/dbraw/zinc/75/80/45/528758045.db2.gz BYBUBGJGTYBTTC-UHFFFAOYSA-N -1 1 289.331 3.056 20 0 CGADMM CCCOc1ccccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436762589 528769984 /nfs/dbraw/zinc/76/99/84/528769984.db2.gz CQLLGHYUDVCOFN-UHFFFAOYSA-N -1 1 299.326 3.002 20 0 CGADMM CCN(C(=O)c1cc(F)ccc1[O-])C1CC(C)(C)C1 ZINC000413984488 529073118 /nfs/dbraw/zinc/07/31/18/529073118.db2.gz ISBBCAVWWGTMSK-UHFFFAOYSA-N -1 1 265.328 3.182 20 0 CGADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1F ZINC000436865509 529209052 /nfs/dbraw/zinc/20/90/52/529209052.db2.gz SAPZSUAXOQRBPY-WCQYABFASA-N -1 1 297.395 3.325 20 0 CGADMM CC[C@@H]1CCCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436748221 529271650 /nfs/dbraw/zinc/27/16/50/529271650.db2.gz DWLHUACNTWGYTJ-LLVKDONJSA-N -1 1 297.782 3.459 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc(Cl)cn2)n1 ZINC000515546776 536154284 /nfs/dbraw/zinc/15/42/84/536154284.db2.gz ZCVIGZSVIJDRLX-UHFFFAOYSA-N -1 1 281.768 3.085 20 0 CGADMM O=C(NC/C=C/c1ccccc1)c1c([O-])cccc1Cl ZINC000733000547 572499363 /nfs/dbraw/zinc/49/93/63/572499363.db2.gz QWYMRSLSOXHKSN-VMPITWQZSA-N -1 1 287.746 3.489 20 0 CGADMM CC(C)(C)CCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000735601954 572732493 /nfs/dbraw/zinc/73/24/93/572732493.db2.gz HVLNJQJOBBJJHY-UHFFFAOYSA-N -1 1 296.378 3.263 20 0 CGADMM CC(C)(C)CCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000735601954 572732498 /nfs/dbraw/zinc/73/24/98/572732498.db2.gz HVLNJQJOBBJJHY-UHFFFAOYSA-N -1 1 296.378 3.263 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C(\C)C2CC2)c1 ZINC000744828149 572778597 /nfs/dbraw/zinc/77/85/97/572778597.db2.gz JTEHCJXOCJOTNY-PKNBQFBNSA-N -1 1 288.343 3.037 20 0 CGADMM O=C(OCc1ccccc1)c1c([O-])cc(F)cc1F ZINC000745522333 572818964 /nfs/dbraw/zinc/81/89/64/572818964.db2.gz FWULEZJSGGBBMU-UHFFFAOYSA-N -1 1 264.227 3.027 20 0 CGADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000749616162 573024113 /nfs/dbraw/zinc/02/41/13/573024113.db2.gz AKNMWPSOTLIZGQ-BFHYXJOUSA-N -1 1 295.766 3.018 20 0 CGADMM Cc1ccc(Cl)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000822239719 607308329 /nfs/dbraw/zinc/30/83/29/607308329.db2.gz BBAVDYUCJPLCSL-UHFFFAOYSA-N -1 1 289.726 3.034 20 0 CGADMM Cc1ccc(Cl)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000822239719 607308330 /nfs/dbraw/zinc/30/83/30/607308330.db2.gz BBAVDYUCJPLCSL-UHFFFAOYSA-N -1 1 289.726 3.034 20 0 CGADMM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000211388359 600747191 /nfs/dbraw/zinc/74/71/91/600747191.db2.gz WKVSVSQURSGBLW-XHDPSFHLSA-N -1 1 273.307 3.302 20 0 CGADMM Cn1cccc1[C@H]1CCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000833059517 601119160 /nfs/dbraw/zinc/11/91/60/601119160.db2.gz PNBUZCZCKMEFAX-CQSZACIVSA-N -1 1 288.347 3.044 20 0 CGADMM Cc1[n-]n(-c2ncc(Cl)cc2Cl)c(=O)c1C(C)C ZINC000899346317 620648462 /nfs/dbraw/zinc/64/84/62/620648462.db2.gz JBLVSPFOMGXSPP-JTQLQIEISA-N -1 1 286.162 3.383 20 0 CGADMM CCCC(CCC)SCc1ccnc(-c2nnn[n-]2)c1 ZINC000825242503 607543575 /nfs/dbraw/zinc/54/35/75/607543575.db2.gz SLYOWAREHJXLCL-UHFFFAOYSA-N -1 1 291.424 3.464 20 0 CGADMM CCCC(CCC)SCc1ccnc(-c2nn[n-]n2)c1 ZINC000825242503 607543576 /nfs/dbraw/zinc/54/35/76/607543576.db2.gz SLYOWAREHJXLCL-UHFFFAOYSA-N -1 1 291.424 3.464 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(Cl)cc2F)c1=O ZINC000899361474 620666029 /nfs/dbraw/zinc/66/60/29/620666029.db2.gz ZVQMNYLWOVDBGU-VIFPVBQESA-N -1 1 254.692 3.228 20 0 CGADMM CCCc1c(C)[n-]n(-c2cc(F)ccc2F)c1=O ZINC000899361948 620668173 /nfs/dbraw/zinc/66/81/73/620668173.db2.gz FZLRRGDHCUTWKH-SNVBAGLBSA-N -1 1 252.264 3.104 20 0 CGADMM Cc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])o2)s1 ZINC000071396168 604329454 /nfs/dbraw/zinc/32/94/54/604329454.db2.gz CJDBIQYVBHHGFV-SECBINFHSA-N -1 1 265.334 3.199 20 0 CGADMM C[C@@]1(C(=O)[O-])CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000086779257 604676274 /nfs/dbraw/zinc/67/62/74/604676274.db2.gz OVZWAKKMVPLRII-CYBMUJFWSA-N -1 1 288.174 3.290 20 0 CGADMM C[C@H](c1cccnc1)N(C)Cc1ccsc1C(=O)[O-] ZINC000833550124 604913659 /nfs/dbraw/zinc/91/36/59/604913659.db2.gz SGINNDVPPJSWCW-SNVBAGLBSA-N -1 1 276.361 3.034 20 0 CGADMM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833547142 605104678 /nfs/dbraw/zinc/10/46/78/605104678.db2.gz ATUAITOAXJNYHO-VIFPVBQESA-N -1 1 294.301 3.184 20 0 CGADMM O=C([O-])Nc1cccc(CN(Cc2ccccn2)C2CC2)c1 ZINC000834268206 605816073 /nfs/dbraw/zinc/81/60/73/605816073.db2.gz GUBWLOMHLLHRCA-UHFFFAOYSA-N -1 1 297.358 3.336 20 0 CGADMM C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)c2ccccc21 ZINC000824985132 609173752 /nfs/dbraw/zinc/17/37/52/609173752.db2.gz RWWINUDJCLHBRP-JTQLQIEISA-N -1 1 297.387 3.052 20 0 CGADMM Cc1sc([C@H](C)NCc2ccccc2)nc1C(=O)[O-] ZINC000900075242 620756108 /nfs/dbraw/zinc/75/61/08/620756108.db2.gz ONDABYQLSZUHQB-VIFPVBQESA-N -1 1 276.361 3.001 20 0 CGADMM COc1ccc(F)cc1C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000050925570 618705380 /nfs/dbraw/zinc/70/53/80/618705380.db2.gz MKDJBHUCVILRSD-AWEZNQCLSA-N -1 1 295.354 3.054 20 0 CGADMM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)C ZINC000112736714 618967430 /nfs/dbraw/zinc/96/74/30/618967430.db2.gz ZWRFJOLMNPUPBW-GFCCVEGCSA-N -1 1 273.361 3.291 20 0 CGADMM CCS[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])C(C)C ZINC000194579109 619141298 /nfs/dbraw/zinc/14/12/98/619141298.db2.gz DQNNRIVVPNOWDX-SNVBAGLBSA-N -1 1 288.800 3.157 20 0 CGADMM O=c1cc(C2CC2)nc(SCc2cccnc2Cl)[n-]1 ZINC000195079239 619146279 /nfs/dbraw/zinc/14/62/79/619146279.db2.gz YZNDNLOAZPCEJN-UHFFFAOYSA-N -1 1 293.779 3.400 20 0 CGADMM CCOc1ccc(N(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000094169301 619237260 /nfs/dbraw/zinc/23/72/60/619237260.db2.gz WDGFTAUEEHLMQG-UHFFFAOYSA-N -1 1 289.306 3.207 20 0 CGADMM C[C@@H]1CC=CC[C@H]1NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000896315416 619992224 /nfs/dbraw/zinc/99/22/24/619992224.db2.gz USDYLCDNZHCYEE-ZWNOBZJWSA-N -1 1 294.782 3.200 20 0 CGADMM O=C(C[C@H]1CCC2(CCC2)CO1)Nc1c([O-])cccc1F ZINC000896403531 620002219 /nfs/dbraw/zinc/00/22/19/620002219.db2.gz RLJGNNFLVVUXJR-LLVKDONJSA-N -1 1 293.338 3.209 20 0 CGADMM CC[C@@H]1CCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000896945512 620110263 /nfs/dbraw/zinc/11/02/63/620110263.db2.gz ZDGAUTPHPIOEEW-LLVKDONJSA-N -1 1 285.343 3.123 20 0 CGADMM CN(CCC(=O)[O-])Cc1ccc(F)c(Cl)c1Cl ZINC000263376776 620313693 /nfs/dbraw/zinc/31/36/93/620313693.db2.gz ARVRPMFDYOGUAJ-UHFFFAOYSA-N -1 1 280.126 3.039 20 0 CGADMM CN(CCC(=O)[O-])Cc1cc(C(F)(F)F)ccc1Cl ZINC000263395515 620315797 /nfs/dbraw/zinc/31/57/97/620315797.db2.gz GMHNJORHAFXDIV-UHFFFAOYSA-N -1 1 295.688 3.265 20 0 CGADMM CC(C)(C)c1coc(NC(=O)c2ccc([O-])c(F)c2)n1 ZINC000898301719 620508095 /nfs/dbraw/zinc/50/80/95/620508095.db2.gz FYTPXUMRJUOCGH-UHFFFAOYSA-N -1 1 278.283 3.069 20 0 CGADMM Cc1cccc(CO[N-]C(=O)C[C@@H](C)c2ccccc2C)n1 ZINC000898934899 620610337 /nfs/dbraw/zinc/61/03/37/620610337.db2.gz CXPTZRNWKJHTCT-CQSZACIVSA-N -1 1 298.386 3.440 20 0 CGADMM CC(C)c1cccc(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000901652915 620967120 /nfs/dbraw/zinc/96/71/20/620967120.db2.gz DSRZJNBZCIQEFG-UHFFFAOYSA-N -1 1 273.332 3.391 20 0 CGADMM O=C([O-])[C@H]1CCCCCN1Cc1cc2cc(F)ccc2o1 ZINC000902035870 621108402 /nfs/dbraw/zinc/10/84/02/621108402.db2.gz RRZKMXCGENVGKT-CQSZACIVSA-N -1 1 291.322 3.401 20 0 CGADMM Cc1ccc2c(c1)[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)CC2 ZINC000902230711 621203371 /nfs/dbraw/zinc/20/33/71/621203371.db2.gz KNAKZAMGKRKBNX-UGAXZCSASA-N -1 1 297.354 3.463 20 0 CGADMM Cc1oc(CN[C@@H]2CCc3c2cccc3C)cc1C(=O)[O-] ZINC000902230638 621203633 /nfs/dbraw/zinc/20/36/33/621203633.db2.gz ILFBQQAGULNLBO-MRXNPFEDSA-N -1 1 285.343 3.372 20 0 CGADMM CC1(C)C[C@@H](NCc2cccc(C(=O)[O-])n2)c2ccccc21 ZINC000902263467 621216063 /nfs/dbraw/zinc/21/60/63/621216063.db2.gz MSMYAOYLVFOVQA-MRXNPFEDSA-N -1 1 296.370 3.292 20 0 CGADMM O=C([O-])c1coc(CNC2(c3cccc(F)c3)CCC2)c1 ZINC000902374270 621279316 /nfs/dbraw/zinc/27/93/16/621279316.db2.gz ZZPCOOABSSXSNU-UHFFFAOYSA-N -1 1 289.306 3.286 20 0 CGADMM Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])no2)cc1 ZINC000902508962 621349887 /nfs/dbraw/zinc/34/98/87/621349887.db2.gz DZQZQGHTWCYGQV-OAHLLOKOSA-N -1 1 286.331 3.018 20 0 CGADMM Cc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])no2)cc1 ZINC000902508962 621349891 /nfs/dbraw/zinc/34/98/91/621349891.db2.gz DZQZQGHTWCYGQV-OAHLLOKOSA-N -1 1 286.331 3.018 20 0 CGADMM Cc1ccccc1[C@H]1CCCN1Cc1cc(C(=O)[O-])no1 ZINC000902509968 621350934 /nfs/dbraw/zinc/35/09/34/621350934.db2.gz NHAHPCUFXWATRC-OAHLLOKOSA-N -1 1 286.331 3.018 20 0 CGADMM CC1(C)CCC[C@@H](C[N@H+]2Cc3ccc(C(=O)[O-])cc3C2)O1 ZINC000903609300 621771243 /nfs/dbraw/zinc/77/12/43/621771243.db2.gz YMGDMMYAWCVSLE-HNNXBMFYSA-N -1 1 289.375 3.048 20 0 CGADMM CC1(C)CCC[C@@H](CN2Cc3ccc(C(=O)[O-])cc3C2)O1 ZINC000903609300 621771245 /nfs/dbraw/zinc/77/12/45/621771245.db2.gz YMGDMMYAWCVSLE-HNNXBMFYSA-N -1 1 289.375 3.048 20 0 CGADMM Cc1coc(CN[C@H](CCCc2ccccc2)C(=O)[O-])c1 ZINC000904002304 621846285 /nfs/dbraw/zinc/84/62/85/621846285.db2.gz RVTOLDWKDRJBPH-MRXNPFEDSA-N -1 1 287.359 3.154 20 0 CGADMM CC[C@@H](NCc1ccccc1C1CC1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065636 621862049 /nfs/dbraw/zinc/86/20/49/621862049.db2.gz UNJNNZHCYNGFHL-CQSZACIVSA-N -1 1 299.374 3.226 20 0 CGADMM C[C@H]1CCC[C@H](C)N1[N-]C(=O)C(F)(F)Cc1ccccc1 ZINC000907996968 622321081 /nfs/dbraw/zinc/32/10/81/622321081.db2.gz OCQAJAFBOWDXSA-STQMWFEESA-N -1 1 296.361 3.159 20 0 CGADMM O=C(Nc1cccc([O-])c1Br)C1(C2CC2)CC1 ZINC000908716790 622369902 /nfs/dbraw/zinc/36/99/02/622369902.db2.gz ASOKJBZQWIIZAK-UHFFFAOYSA-N -1 1 296.164 3.283 20 0 CGADMM CC[C@H]1CCC[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987165 622443035 /nfs/dbraw/zinc/44/30/35/622443035.db2.gz KHAQWZOPBSAVQD-DTWKUNHWSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@H]1CCC[C@@H](C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909981056 622444084 /nfs/dbraw/zinc/44/40/84/622444084.db2.gz LMFZUKNYQDNURX-DTWKUNHWSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@H]1CC/C(=C/C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909981977 622444509 /nfs/dbraw/zinc/44/45/09/622444509.db2.gz CCQIEMRRIUOQTK-HXOPTJOXSA-N -1 1 267.275 3.355 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)C1CC2(CCC2)C1 ZINC000909987929 622445356 /nfs/dbraw/zinc/44/53/56/622445356.db2.gz OIGAAISOSATHKM-UHFFFAOYSA-N -1 1 267.275 3.189 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CC12CCCC2 ZINC000910982213 622513157 /nfs/dbraw/zinc/51/31/57/622513157.db2.gz MJVQKGLQQRISCC-SECBINFHSA-N -1 1 267.275 3.189 20 0 CGADMM CCO[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])C1CCCC1 ZINC000910991390 622514487 /nfs/dbraw/zinc/51/44/87/622514487.db2.gz PRXYWYCYBNMQGV-CQSZACIVSA-N -1 1 299.317 3.204 20 0 CGADMM C[C@H](CSC1CCOCC1)C(=O)c1ccc([O-])cc1 ZINC000917357319 624262943 /nfs/dbraw/zinc/26/29/43/624262943.db2.gz PNYIAHVKPVMKDQ-LLVKDONJSA-N -1 1 280.389 3.123 20 0 CGADMM C[C@]1(C(=O)Nc2cccc([O-])c2Br)C=CCC1 ZINC000821375173 625819240 /nfs/dbraw/zinc/81/92/40/625819240.db2.gz OKTYUYZQHLHAKK-ZDUSSCGKSA-N -1 1 296.164 3.450 20 0 CGADMM FC(F)(F)c1ccc(=NOC[C@@H]2CCOC2)[n-]c1Cl ZINC000788082037 626094947 /nfs/dbraw/zinc/09/49/47/626094947.db2.gz CVJONYICZLIDCU-SSDOTTSWSA-N -1 1 296.676 3.134 20 0 CGADMM CC1(C)CCC(CC(=O)[N-]OCC(F)(F)F)CC1 ZINC000752129855 626419648 /nfs/dbraw/zinc/41/96/48/626419648.db2.gz PJMZLHGICGVUIH-UHFFFAOYSA-N -1 1 267.291 3.203 20 0 CGADMM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)[N-]OCC(F)F ZINC000754313119 626567230 /nfs/dbraw/zinc/56/72/30/626567230.db2.gz XFLGXUKYPSQPMX-MNOVXSKESA-N -1 1 283.318 3.289 20 0 CGADMM Cc1cc(C[N-]C(=O)C(F)(F)C(F)F)ccc1Cl ZINC000754791705 626587593 /nfs/dbraw/zinc/58/75/93/626587593.db2.gz LDKHBIWUBSYHCQ-UHFFFAOYSA-N -1 1 283.652 3.165 20 0 CGADMM C/C(=C/c1ccccc1)CNCc1nc(C(=O)[O-])cs1 ZINC000756313864 626691841 /nfs/dbraw/zinc/69/18/41/626691841.db2.gz XFFMUOJXCWYWMA-XFFZJAGNSA-N -1 1 288.372 3.034 20 0 CGADMM CC[C@@H](C)CO[N-]C(=O)Cc1cc2cc(Cl)ccc2[nH]1 ZINC000839778226 626787667 /nfs/dbraw/zinc/78/76/67/626787667.db2.gz WHNKKQWUEAHQSE-SNVBAGLBSA-N -1 1 294.782 3.458 20 0 CGADMM CC[C@]1(C)CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000759100009 626874015 /nfs/dbraw/zinc/87/40/15/626874015.db2.gz WVGZTDUZRZBPSR-CQSZACIVSA-N -1 1 267.756 3.308 20 0 CGADMM O=C(N[C@H]1CC12CCCC2)c1c([O-])cccc1Cl ZINC000760584457 626979914 /nfs/dbraw/zinc/97/99/14/626979914.db2.gz RBJWMQCEZOYLOJ-NSHDSACASA-N -1 1 265.740 3.108 20 0 CGADMM Cc1nc(Cl)ccc1CC(=O)Nc1ccc(F)cc1[O-] ZINC000764751222 627221565 /nfs/dbraw/zinc/22/15/65/627221565.db2.gz KLEQVPAVOIRVAG-UHFFFAOYSA-N -1 1 294.713 3.069 20 0 CGADMM Cc1ccccc1[C@H](C)CC(=O)[N-]OCC(F)(F)F ZINC000766763881 627358862 /nfs/dbraw/zinc/35/88/62/627358862.db2.gz DUAVQDHJTCURPJ-SNVBAGLBSA-N -1 1 275.270 3.099 20 0 CGADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769602396 627569027 /nfs/dbraw/zinc/56/90/27/627569027.db2.gz MSTMSPCIUFEFGY-KOLCDFICSA-N -1 1 267.756 3.354 20 0 CGADMM C[C@@H](C(=O)[N-]OC1CCOCC1)c1ccc2ccccc2c1 ZINC000772710366 627816818 /nfs/dbraw/zinc/81/68/18/627816818.db2.gz VGOVBMDUFNSPOV-CYBMUJFWSA-N -1 1 299.370 3.170 20 0 CGADMM O=C(NOc1ccccc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000773464325 627886750 /nfs/dbraw/zinc/88/67/50/627886750.db2.gz GFPQBWUNYUYSAS-UHFFFAOYSA-N -1 1 297.232 3.135 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2=CCCCC2)c1 ZINC000782459389 628647963 /nfs/dbraw/zinc/64/79/63/628647963.db2.gz VHPWCCBYGLOGTE-UHFFFAOYSA-N -1 1 288.343 3.181 20 0 CGADMM Cc1cscc1CNC(=O)c1c([O-])cccc1Cl ZINC000787604180 629018677 /nfs/dbraw/zinc/01/86/77/629018677.db2.gz VLEGCSDUJPUYQF-UHFFFAOYSA-N -1 1 281.764 3.346 20 0 CGADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790048442 629179676 /nfs/dbraw/zinc/17/96/76/629179676.db2.gz QXEPQQJXWTZFFS-ISVAXAHUSA-N -1 1 268.744 3.061 20 0 CGADMM Cc1sc(C)c2c1[n-]c(Cc1ccc(C)nc1)nc2=O ZINC000864356174 629818274 /nfs/dbraw/zinc/81/82/74/629818274.db2.gz RDENYYAQNLNPAN-UHFFFAOYSA-N -1 1 285.372 3.308 20 0 CGADMM CCCCCc1nc(CC[N-]C(=O)C(F)(F)F)cs1 ZINC000864366913 629818735 /nfs/dbraw/zinc/81/87/35/629818735.db2.gz GEQIOCIHOVPLML-UHFFFAOYSA-N -1 1 294.342 3.097 20 0 CGADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000864857956 629933550 /nfs/dbraw/zinc/93/35/50/629933550.db2.gz FKVYRWIPFDMIQS-HYNSBDGHSA-N -1 1 297.358 3.013 20 0 CGADMM O=C(Nc1ccc(O)cc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000798299518 630045770 /nfs/dbraw/zinc/04/57/70/630045770.db2.gz JOJNWGCBQYGKRK-UHFFFAOYSA-N -1 1 297.232 3.369 20 0 CGADMM COc1ccccc1CO[N-]C(=O)[C@H](C)c1cccc(C)c1 ZINC000799090491 630141053 /nfs/dbraw/zinc/14/10/53/630141053.db2.gz NYXLJLVEQDNMLV-CQSZACIVSA-N -1 1 299.370 3.355 20 0 CGADMM C[C@@]1(NC(=O)NCc2ccc([O-])c(Cl)c2)CC=CCC1 ZINC000876396388 634826846 /nfs/dbraw/zinc/82/68/46/634826846.db2.gz CVQSTZOOXIZJKQ-OAHLLOKOSA-N -1 1 294.782 3.344 20 0 CGADMM CC[C@@H](C)N(CC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876399436 634827668 /nfs/dbraw/zinc/82/76/68/634827668.db2.gz ODMAKGASMAPYGU-SNVBAGLBSA-N -1 1 284.787 3.376 20 0 CGADMM O=C(Nc1c([O-])cccc1F)C1(F)CCCCC1 ZINC000810411648 630874299 /nfs/dbraw/zinc/87/42/99/630874299.db2.gz QPMUIGPEPLVAEA-UHFFFAOYSA-N -1 1 255.264 3.142 20 0 CGADMM O=C(Nc1cc2c(cn1)CCCC2)c1ccc([O-])c(F)c1 ZINC000812736482 631299032 /nfs/dbraw/zinc/29/90/32/631299032.db2.gz BWWLGHWVIHFSCT-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM O=C(C=C1CCCC1)Nc1ccc([O-])c(F)c1F ZINC000837087267 634851729 /nfs/dbraw/zinc/85/17/29/634851729.db2.gz UDHQDSRLRKIHET-UHFFFAOYSA-N -1 1 253.248 3.109 20 0 CGADMM COc1ccc(NCc2cccc([O-])c2Cl)cc1CO ZINC000815130814 631725286 /nfs/dbraw/zinc/72/52/86/631725286.db2.gz GTGYTFHLTKRRKQ-UHFFFAOYSA-N -1 1 293.750 3.159 20 0 CGADMM CC(F)(F)C(=O)[N-]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000815318030 631758590 /nfs/dbraw/zinc/75/85/90/631758590.db2.gz APAQTMKNKXCSJQ-UHFFFAOYSA-N -1 1 293.235 3.466 20 0 CGADMM O=C([N-][C@H](C1CCC1)C1CCCCC1)C(F)(F)F ZINC000844051860 635811224 /nfs/dbraw/zinc/81/12/24/635811224.db2.gz MRASRWDBHPLWKS-NSHDSACASA-N -1 1 263.303 3.414 20 0 CGADMM O=C(C[C@H]1CCCC1(F)F)Nc1cc([O-])c(F)cc1F ZINC000822542940 632968094 /nfs/dbraw/zinc/96/80/94/632968094.db2.gz LDPVWWRMBUWRBB-SSDOTTSWSA-N -1 1 291.244 3.434 20 0 CGADMM O=S(=O)([N-][C@]12C[C@H]1CCCC2)c1cc2ccccc2o1 ZINC000867627409 633256271 /nfs/dbraw/zinc/25/62/71/633256271.db2.gz WRNWPTFWMBRCOK-IUODEOHRSA-N -1 1 291.372 3.044 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1conc1C1CCCC1 ZINC000869445986 633446061 /nfs/dbraw/zinc/44/60/61/633446061.db2.gz PTYYHNOREKJGKF-UHFFFAOYSA-N -1 1 290.294 3.429 20 0 CGADMM O=C(NCC[C@@H]1CCCS1)c1c([O-])cccc1Cl ZINC000871033813 633685986 /nfs/dbraw/zinc/68/59/86/633685986.db2.gz ICLPXTMSKISOIR-VIFPVBQESA-N -1 1 285.796 3.061 20 0 CGADMM O=c1cc(CSC2CCC2)c2ccc([O-])cc2o1 ZINC000829764305 633779250 /nfs/dbraw/zinc/77/92/50/633779250.db2.gz ZXMZYNMRYNHBJF-UHFFFAOYSA-N -1 1 262.330 3.284 20 0 CGADMM CC[C@@H](C)N(OC)C(=O)c1cc2ccccc2cc1[O-] ZINC000830475008 633865736 /nfs/dbraw/zinc/86/57/36/633865736.db2.gz QKWHCRATGQKRBM-LLVKDONJSA-N -1 1 273.332 3.348 20 0 CGADMM C[C@]1(C(=O)Nc2nc(Cl)ccc2[O-])CC=CCC1 ZINC000830863770 633893112 /nfs/dbraw/zinc/89/31/12/633893112.db2.gz CXACCIDTBHAZJK-ZDUSSCGKSA-N -1 1 266.728 3.126 20 0 CGADMM Cc1cc(Cl)ccc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000871944937 633923151 /nfs/dbraw/zinc/92/31/51/633923151.db2.gz UMYPYNWLQCEIMI-OQPBUACISA-N -1 1 262.740 3.397 20 0 CGADMM CCCCCC[C@@H](C)n1[n-]c(-c2ccc[nH]2)cc1=O ZINC000871959665 633927811 /nfs/dbraw/zinc/92/78/11/633927811.db2.gz OITZAQUSYWPHLI-GFCCVEGCSA-N -1 1 261.369 3.310 20 0 CGADMM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)C(F)F ZINC000833204327 634111512 /nfs/dbraw/zinc/11/15/12/634111512.db2.gz KHSOYZXSGKXAAY-VIFPVBQESA-N -1 1 281.224 3.077 20 0 CGADMM O=C(N[C@H]1CCSC2(CCC2)C1)c1cc(F)ccc1[O-] ZINC000834738815 634232319 /nfs/dbraw/zinc/23/23/19/634232319.db2.gz DYHPERZLGCXOTC-NSHDSACASA-N -1 1 295.379 3.079 20 0 CGADMM CC(C)(CC(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000834823660 634247778 /nfs/dbraw/zinc/24/77/78/634247778.db2.gz ZIJUGCOWHZUULQ-UHFFFAOYSA-N -1 1 281.783 3.488 20 0 CGADMM C[C@@H](CC(F)(F)F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834823223 634248124 /nfs/dbraw/zinc/24/81/24/634248124.db2.gz WDNRKOHVOGNNGY-ZETCQYMHSA-N -1 1 295.688 3.250 20 0 CGADMM C[C@H](C(=O)NCc1ccc([O-])c(Cl)c1)C1CCC1 ZINC000834822107 634248716 /nfs/dbraw/zinc/24/87/16/634248716.db2.gz KTWGEONJECGQKX-VIFPVBQESA-N -1 1 267.756 3.098 20 0 CGADMM O=C(C=C(C1CC1)C1CC1)NCc1ccc([O-])c(Cl)c1 ZINC000834833733 634252975 /nfs/dbraw/zinc/25/29/75/634252975.db2.gz JWWYNLMGLCKUHI-UHFFFAOYSA-N -1 1 291.778 3.408 20 0 CGADMM CC1(Cc2noc(-c3ccc(N)cc3[O-])n2)CCCC1 ZINC000843231838 635618391 /nfs/dbraw/zinc/61/83/91/635618391.db2.gz FZPUGLZDUDTOKB-UHFFFAOYSA-N -1 1 273.336 3.147 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2ccc(F)nc2)n1 ZINC000882157953 636272856 /nfs/dbraw/zinc/27/28/56/636272856.db2.gz IZBVEKHUOVGBFD-QMMMGPOBSA-N -1 1 279.340 3.132 20 0 CGADMM O=C(CCc1c(Cl)cccc1Cl)[N-]OCC(F)F ZINC000847734865 636437039 /nfs/dbraw/zinc/43/70/39/636437039.db2.gz JVLVXYNRWNGBLY-UHFFFAOYSA-N -1 1 298.116 3.239 20 0 CGADMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680131 637285570 /nfs/dbraw/zinc/28/55/70/637285570.db2.gz MIYTVNMYMFDTRG-XAVMHZPKSA-N -1 1 283.730 3.415 20 0 CGADMM CC[C@@H](C)[C@@H](C)C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266333 637472232 /nfs/dbraw/zinc/47/22/32/637472232.db2.gz HZRYTZAICKKUHM-NXEZZACHSA-N -1 1 285.334 3.011 20 0 CGADMM C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(O)cc1[O-] ZINC000220067731 637603258 /nfs/dbraw/zinc/60/32/58/637603258.db2.gz OYIVLQTWURCFIL-LLVKDONJSA-N -1 1 283.327 3.079 20 0 CGADMM CC(C)[C@@H]1CCc2[n-]n([C@H]3CCCSC3)c(=O)c2C1 ZINC000887299246 637793207 /nfs/dbraw/zinc/79/32/07/637793207.db2.gz TZIFKAPVIMHWKT-FRRDWIJNSA-N -1 1 280.437 3.153 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CCCCS1 ZINC000885675885 638036793 /nfs/dbraw/zinc/03/67/93/638036793.db2.gz DGZRFGBHWCUAMI-LLVKDONJSA-N -1 1 289.759 3.409 20 0 CGADMM CCC(C)=C(C)C(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000854506730 638061768 /nfs/dbraw/zinc/06/17/68/638061768.db2.gz ZPNFQPDRBAMVMI-KTKRTIGZSA-N -1 1 274.320 3.137 20 0 CGADMM CCc1ccc(C(=O)Nc2nn(CC)cc2Cl)c([O-])c1 ZINC000924796192 638406165 /nfs/dbraw/zinc/40/61/65/638406165.db2.gz AMZHNJQELLWTQS-UHFFFAOYSA-N -1 1 293.754 3.077 20 0 CGADMM O=C(NCCC1CCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000857466191 638509152 /nfs/dbraw/zinc/50/91/52/638509152.db2.gz XDQPGHOHHUBMRS-UHFFFAOYSA-N -1 1 287.281 3.331 20 0 CGADMM CC(C)CCC[C@@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858363771 638693031 /nfs/dbraw/zinc/69/30/31/638693031.db2.gz ZKNLAWNSVAWSCF-SECBINFHSA-N -1 1 257.765 3.462 20 0 CGADMM CC(C)(C)[C@H]1OCCC[C@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858415839 638708365 /nfs/dbraw/zinc/70/83/65/638708365.db2.gz ALLVIVGNXJXRGM-CABZTGNLSA-N -1 1 299.802 3.089 20 0 CGADMM CCC1CCC(N(C)c2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858431389 638715756 /nfs/dbraw/zinc/71/57/56/638715756.db2.gz WKTWUBKIFGQPRR-UHFFFAOYSA-N -1 1 269.776 3.241 20 0 CGADMM CCO[C@@H](CCNc1cc(Cl)[n-]c(=O)n1)C1CCCC1 ZINC000858433001 638716423 /nfs/dbraw/zinc/71/64/23/638716423.db2.gz ZLZRVZIWBJZMRK-NSHDSACASA-N -1 1 299.802 3.233 20 0 CGADMM CC[C@@H](C)[C@H]1CCCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858467938 638726833 /nfs/dbraw/zinc/72/68/33/638726833.db2.gz YTQWJCRRUTVDSL-NXEZZACHSA-N -1 1 269.776 3.241 20 0 CGADMM C[C@H](CCCC(F)(F)F)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858515529 638753387 /nfs/dbraw/zinc/75/33/87/638753387.db2.gz NVVUZXWAUWHTCH-ZCFIWIBFSA-N -1 1 283.681 3.369 20 0 CGADMM CCC[C@@H](Nc1cc(Cl)[n-]c(=O)n1)C(C)(C)C ZINC000858558867 638761821 /nfs/dbraw/zinc/76/18/21/638761821.db2.gz BPNNQKNORUYKME-MRVPVSSYSA-N -1 1 257.765 3.462 20 0 CGADMM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000928382166 638878969 /nfs/dbraw/zinc/87/89/69/638878969.db2.gz DPVDKRSUEZBMRN-GUYCJALGSA-N -1 1 296.370 3.196 20 0 CGADMM C[C@@H](CN(C)c1cc(Cl)[n-]c(=O)n1)C1CCCCC1 ZINC000858786739 639021395 /nfs/dbraw/zinc/02/13/95/639021395.db2.gz UGOUWMBXZLNWIY-JTQLQIEISA-N -1 1 283.803 3.488 20 0 CGADMM [O-]c1ccc(Cl)c(F)c1CNc1cnn(CC2CC2)c1 ZINC000191502654 640315797 /nfs/dbraw/zinc/31/57/97/640315797.db2.gz UBESRHVZFTTYRZ-UHFFFAOYSA-N -1 1 295.745 3.403 20 0 CGADMM COc1cccc([C@H](C)C(=O)[N-]OCc2ccccc2)c1 ZINC000194403273 640530992 /nfs/dbraw/zinc/53/09/92/640530992.db2.gz BWVLXHBJXAGMPW-ZDUSSCGKSA-N -1 1 285.343 3.047 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccnc2ccncc21 ZINC001250503573 805660332 /nfs/dbraw/zinc/66/03/32/805660332.db2.gz GHHCPSRKODHSAD-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COc1cc(-c2c(F)ccc([O-])c2Cl)ccn1 ZINC001250653061 805749526 /nfs/dbraw/zinc/74/95/26/805749526.db2.gz UYYSRAFLEFBETE-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM CCOc1cccc2[nH]c(-c3cccc(F)c3[O-])nc21 ZINC001250683343 805754800 /nfs/dbraw/zinc/75/48/00/805754800.db2.gz BTSIWUSHJNXCOG-UHFFFAOYSA-N -1 1 272.279 3.473 20 0 CGADMM Cc1cc(F)cc2[nH]c(-c3ccccc3C(=O)[O-])nc21 ZINC001250876272 805791131 /nfs/dbraw/zinc/79/11/31/805791131.db2.gz CVGXMSYAXPDCFW-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM Cc1cccc2c1nc(-c1cc(Cl)ncc1[O-])n2C ZINC001251252003 805872766 /nfs/dbraw/zinc/87/27/66/805872766.db2.gz MBTYBAHRGNOBGU-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM CC(C)c1cccc(C(=O)Nc2ccc([O-])c(F)c2F)n1 ZINC001157806309 805876162 /nfs/dbraw/zinc/87/61/62/805876162.db2.gz XSJFBHSCZCMAIN-UHFFFAOYSA-N -1 1 292.285 3.441 20 0 CGADMM COc1cccc2c1nc(-c1c(F)ccc([O-])c1F)n2C ZINC001251335377 805885581 /nfs/dbraw/zinc/88/55/81/805885581.db2.gz FFSVMIXHDLKXLJ-UHFFFAOYSA-N -1 1 290.269 3.233 20 0 CGADMM COCCn1c2ccccc2nc1-c1ccc(F)c([O-])c1 ZINC001251477546 805900322 /nfs/dbraw/zinc/90/03/22/805900322.db2.gz PCCFOBBQXPPCME-UHFFFAOYSA-N -1 1 286.306 3.194 20 0 CGADMM [O-]c1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1F ZINC001252251896 806034673 /nfs/dbraw/zinc/03/46/73/806034673.db2.gz KBCZKQADWKZYQV-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM [O-]c1cccc(-c2nnc(-c3ccc(F)cc3)o2)c1F ZINC001252251713 806033455 /nfs/dbraw/zinc/03/34/55/806033455.db2.gz HKYAAMLSXUCIQA-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM O=C([O-])c1sccc1Nc1ccc2c[nH]nc2c1 ZINC001159663392 806143670 /nfs/dbraw/zinc/14/36/70/806143670.db2.gz ZHYKTDGVHOPOSN-UHFFFAOYSA-N -1 1 259.290 3.066 20 0 CGADMM CC(C)(NC(=O)c1cc(F)ccc1[O-])c1ccccc1F ZINC001159796029 806176196 /nfs/dbraw/zinc/17/61/96/806176196.db2.gz WLYJSOFUTNXYQE-UHFFFAOYSA-N -1 1 291.297 3.336 20 0 CGADMM COc1cccc(-c2nnc(-c3c([O-])cccc3OC)o2)c1 ZINC001253259865 806199716 /nfs/dbraw/zinc/19/97/16/806199716.db2.gz KDVNKQODJXVYRH-UHFFFAOYSA-N -1 1 298.298 3.126 20 0 CGADMM COc1ccc(-c2nnc(Cc3ccccc3)o2)c([O-])c1 ZINC001253488890 806227294 /nfs/dbraw/zinc/22/72/94/806227294.db2.gz DLQCKQJDSGZLNX-UHFFFAOYSA-N -1 1 282.299 3.042 20 0 CGADMM CC(C)(C)[C@@H](O)CNc1cc([O-])c(Cl)cc1F ZINC001253733166 806287696 /nfs/dbraw/zinc/28/76/96/806287696.db2.gz KQTQFBCYWWJBSJ-NSHDSACASA-N -1 1 261.724 3.004 20 0 CGADMM CCCCS(=O)(=O)[N-]c1cccc2c(Cl)ccnc12 ZINC001253863686 806316764 /nfs/dbraw/zinc/31/67/64/806316764.db2.gz BLNIAOJOYDCSIY-UHFFFAOYSA-N -1 1 298.795 3.430 20 0 CGADMM Cc1cnc(Cl)c(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001160924587 806322664 /nfs/dbraw/zinc/32/26/64/806322664.db2.gz IOGVCUJGLLRUQR-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM CCCc1nnc(-c2cc(Cl)c([O-])c(OC)c2)o1 ZINC001254026273 806331590 /nfs/dbraw/zinc/33/15/90/806331590.db2.gz LQOCYZFHDPSOLK-UHFFFAOYSA-N -1 1 268.700 3.057 20 0 CGADMM O=C(Nc1c[n-][nH]c1=O)c1ccc(-c2ccccc2)cc1 ZINC001161384355 806372617 /nfs/dbraw/zinc/37/26/17/806372617.db2.gz LSMXYUISHXDPMM-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM CC(C)(C)C1CCC(Nc2[n-]c(=O)nc3nc[nH]c32)CC1 ZINC001255497275 806653955 /nfs/dbraw/zinc/65/39/55/806653955.db2.gz LZKOHDHNLZUPGJ-UHFFFAOYSA-N -1 1 289.383 3.075 20 0 CGADMM O=S(=O)([N-]c1ccc2occc2c1)c1cccc(F)c1 ZINC001255654109 806693806 /nfs/dbraw/zinc/69/38/06/806693806.db2.gz HSIYOSVZIKEQBT-UHFFFAOYSA-N -1 1 291.303 3.373 20 0 CGADMM C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161389612 799079364 /nfs/dbraw/zinc/07/93/64/799079364.db2.gz ZPZAUQFMFJRDCX-AWEZNQCLSA-N -1 1 285.746 3.166 20 0 CGADMM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc([O-])cc1F ZINC000162548574 799081325 /nfs/dbraw/zinc/08/13/25/799081325.db2.gz OGDOLZUJEVPQAK-QWRGUYRKSA-N -1 1 265.328 3.087 20 0 CGADMM [O-]c1cccc(CNc2ccc3c(c2)OCO3)c1Cl ZINC000381442469 799379867 /nfs/dbraw/zinc/37/98/67/799379867.db2.gz WXDKMXVMPRYAEU-UHFFFAOYSA-N -1 1 277.707 3.386 20 0 CGADMM COc1cccc([O-])c1-c1nc(-c2cc(C)nc(C)c2)no1 ZINC000405333297 799582356 /nfs/dbraw/zinc/58/23/56/799582356.db2.gz XOHWXVDQKYVMFO-UHFFFAOYSA-N -1 1 297.314 3.130 20 0 CGADMM COc1cccc([O-])c1-c1nc(-c2cnc(C)cc2C)no1 ZINC000405346053 799583633 /nfs/dbraw/zinc/58/36/33/799583633.db2.gz GKRUXCGRCIGCMS-UHFFFAOYSA-N -1 1 297.314 3.130 20 0 CGADMM CC(C)c1cnc(CN2CCCC[C@H]2CCC(=O)[O-])o1 ZINC000700771478 799879984 /nfs/dbraw/zinc/87/99/84/799879984.db2.gz DPSFPIFIJCXJIT-LBPRGKRZSA-N -1 1 280.368 3.017 20 0 CGADMM O=C([O-])C1CCN(Cc2ccsc2C(F)(F)F)CC1 ZINC000704326780 799935617 /nfs/dbraw/zinc/93/56/17/799935617.db2.gz NBDMXMNCAFEJRV-UHFFFAOYSA-N -1 1 293.310 3.064 20 0 CGADMM CC(=O)c1cc(NC(=O)c2cccc([O-])c2F)ccc1C ZINC001163614351 806793161 /nfs/dbraw/zinc/79/31/61/806793161.db2.gz OXVDXKVXNGNZCN-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM C[C@@H]1C[C@H](NC(=O)c2ccc([O-])cc2F)CC(C)(C)C1 ZINC000709396287 800008812 /nfs/dbraw/zinc/00/88/12/800008812.db2.gz ZCDSUFFBZLRQGI-MNOVXSKESA-N -1 1 279.355 3.476 20 0 CGADMM CC(C)c1ocnc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000809472156 800439425 /nfs/dbraw/zinc/43/94/25/800439425.db2.gz ZJCNNSYREFRZSI-UHFFFAOYSA-N -1 1 289.266 3.360 20 0 CGADMM COc1c(Cl)ccc([O-])c1-c1nnc([C@@H]2C[C@H]2C)o1 ZINC001256745708 806969037 /nfs/dbraw/zinc/96/90/37/806969037.db2.gz AQOSTFRFUBGUDB-RNFRBKRXSA-N -1 1 280.711 3.228 20 0 CGADMM CC(C)O[N-]C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001117797092 802498666 /nfs/dbraw/zinc/49/86/66/802498666.db2.gz RTRVPALLQATGJG-VIFPVBQESA-N -1 1 275.270 3.265 20 0 CGADMM CCCCOc1ccc(F)cc1[N-]c1nnc(C)o1 ZINC001211717254 814935969 /nfs/dbraw/zinc/93/59/69/814935969.db2.gz UXJKSAXQWZMVQI-UHFFFAOYSA-N -1 1 265.288 3.440 20 0 CGADMM O=C([O-])C=Cc1ccccc1-c1cccc2nc[nH]c21 ZINC001243934634 803085361 /nfs/dbraw/zinc/08/53/61/803085361.db2.gz XPUFLZLKPWJFNA-CMDGGOBGSA-N -1 1 264.284 3.328 20 0 CGADMM Cc1ccc(-c2cc(F)c([O-])c(F)c2)cc1S(C)(=O)=O ZINC001244095000 803182522 /nfs/dbraw/zinc/18/25/22/803182522.db2.gz YPXHDHRUXNMTJS-UHFFFAOYSA-N -1 1 298.310 3.049 20 0 CGADMM [O-]c1c(F)cc(-c2cccc3ncncc32)cc1F ZINC001244095306 803182727 /nfs/dbraw/zinc/18/27/27/803182727.db2.gz DWFGJORSQCIFAQ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CN1Cc2ccc(-c3cc(F)c([O-])c(F)c3)cc2NC1=O ZINC001244096218 803183751 /nfs/dbraw/zinc/18/37/51/803183751.db2.gz LBEWJKFEPGQQEU-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM COCOc1ccc(-c2cc(F)c([O-])c(F)c2)cc1 ZINC001244096816 803185450 /nfs/dbraw/zinc/18/54/50/803185450.db2.gz KBTITGFPUWWRKA-UHFFFAOYSA-N -1 1 266.243 3.320 20 0 CGADMM Cc1ccc([O-])c(-c2nccc(OC(C)(C)C)n2)c1 ZINC001244403476 803351714 /nfs/dbraw/zinc/35/17/14/803351714.db2.gz YGSDVBJCWHIJDG-UHFFFAOYSA-N -1 1 258.321 3.335 20 0 CGADMM Cc1ccc([O-])c(-c2nccc(-c3cccnc3F)n2)c1 ZINC001244402771 803352098 /nfs/dbraw/zinc/35/20/98/803352098.db2.gz KACHSVQDZZMARH-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1nccc2nc[nH]c21 ZINC001244463066 803381259 /nfs/dbraw/zinc/38/12/59/803381259.db2.gz DTMJAZSILIIHSP-UHFFFAOYSA-N -1 1 295.220 3.229 20 0 CGADMM COc1cccc(-c2ccc(OC(F)(F)F)cc2[O-])n1 ZINC001244463551 803381604 /nfs/dbraw/zinc/38/16/04/803381604.db2.gz JCJPKTLKUJJBFP-UHFFFAOYSA-N -1 1 285.221 3.361 20 0 CGADMM Cc1cc(-c2cnc3[nH]ccc3n2)cc(Cl)c1[O-] ZINC001244530291 803421839 /nfs/dbraw/zinc/42/18/39/803421839.db2.gz JUIWVZWIGPYHJW-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM Cc1cc(-c2ncnc3cnccc32)cc(Cl)c1[O-] ZINC001244530441 803422209 /nfs/dbraw/zinc/42/22/09/803422209.db2.gz OAHYJCNDYKZFMZ-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM Cc1cc(-c2ncnc3cnc(F)cc32)cc(Cl)c1[O-] ZINC001244531178 803422219 /nfs/dbraw/zinc/42/22/19/803422219.db2.gz WEFCWSLXWNIRRR-UHFFFAOYSA-N -1 1 289.697 3.498 20 0 CGADMM COc1cc(-c2cc(C)c([O-])c(Cl)c2)nc(C)n1 ZINC001244531401 803422894 /nfs/dbraw/zinc/42/28/94/803422894.db2.gz JGPHNFGWEPIRDC-UHFFFAOYSA-N -1 1 264.712 3.128 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cnc3cc[nH]c3n2)c1F ZINC001244538652 803427132 /nfs/dbraw/zinc/42/71/32/803427132.db2.gz QCKAJBNUZFSUBX-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM COCc1ccc(-c2c(Cl)ccc([O-])c2F)nc1 ZINC001244540412 803428182 /nfs/dbraw/zinc/42/81/82/803428182.db2.gz OEEOHGIPZMFDSD-UHFFFAOYSA-N -1 1 267.687 3.393 20 0 CGADMM CSc1cncc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244541072 803428639 /nfs/dbraw/zinc/42/86/39/803428639.db2.gz XJUIXLPUSYYTNJ-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM CNc1cc(-c2c(Cl)ccc([O-])c2F)ccn1 ZINC001244543103 803429274 /nfs/dbraw/zinc/42/92/74/803429274.db2.gz SYBUBKVCHMNITK-UHFFFAOYSA-N -1 1 252.676 3.288 20 0 CGADMM CSc1ncc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244541882 803429661 /nfs/dbraw/zinc/42/96/61/803429661.db2.gz UXAXENBGSSIGJY-UHFFFAOYSA-N -1 1 270.716 3.364 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccc(-c3nn[nH]n3)cc2)c1F ZINC001244541517 803429904 /nfs/dbraw/zinc/42/99/04/803429904.db2.gz CEXSGYSGULATJO-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM [O-]c1c(Cl)ccc(-c2ccc3cncn3c2)c1F ZINC001244628746 803472044 /nfs/dbraw/zinc/47/20/44/803472044.db2.gz AOPRLKHOUXPJOA-UHFFFAOYSA-N -1 1 262.671 3.499 20 0 CGADMM Cc1cc(-c2cc3[nH]nnc3cc2F)cc(C)c1C(=O)[O-] ZINC001244947231 803586911 /nfs/dbraw/zinc/58/69/11/803586911.db2.gz QEMAEHAGAXLEIC-UHFFFAOYSA-N -1 1 285.278 3.079 20 0 CGADMM O=C(Nc1ccc2c(c1)CCC2)c1ccc(F)c([O-])c1 ZINC001135745431 803612005 /nfs/dbraw/zinc/61/20/05/803612005.db2.gz UKUXCPKYRBUWMT-UHFFFAOYSA-N -1 1 271.291 3.272 20 0 CGADMM CC(C)Oc1cnc(-c2cc(Cl)ccc2[O-])cn1 ZINC001245048096 803621193 /nfs/dbraw/zinc/62/11/93/803621193.db2.gz FRSDFXKQQQLURT-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM COc1cc(C)ccc1NC(=O)c1cccc([O-])c1F ZINC001136488322 803644839 /nfs/dbraw/zinc/64/48/39/803644839.db2.gz KPCWGNSJEXFNCE-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM CC[C@H](C)C[C@H](C)NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001136967349 803664050 /nfs/dbraw/zinc/66/40/50/803664050.db2.gz ZDGAEEKYBXSZTI-JQWIXIFHSA-N -1 1 277.364 3.068 20 0 CGADMM CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001212094185 814975008 /nfs/dbraw/zinc/97/50/08/814975008.db2.gz YSOQFSJWLWQCST-UKRRQHHQSA-N -1 1 293.388 3.146 20 0 CGADMM Cc1c(Cl)ccc(-c2ccc(-c3nnn[n-]3)nc2)c1C ZINC001245688020 803910055 /nfs/dbraw/zinc/91/00/55/803910055.db2.gz LVMHBCQFIACMGS-UHFFFAOYSA-N -1 1 285.738 3.199 20 0 CGADMM Cc1c(Cl)ccc(-c2ccc(-c3nn[n-]n3)nc2)c1C ZINC001245688020 803910064 /nfs/dbraw/zinc/91/00/64/803910064.db2.gz LVMHBCQFIACMGS-UHFFFAOYSA-N -1 1 285.738 3.199 20 0 CGADMM COC(=O)c1cnc(-c2c(F)ccc([O-])c2Cl)c(C)c1 ZINC001245828323 803983486 /nfs/dbraw/zinc/98/34/86/803983486.db2.gz SJXARBGOJCBYCU-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM NC(=O)Nc1cccc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245831849 803986187 /nfs/dbraw/zinc/98/61/87/803986187.db2.gz QRLOBINYJRQTGL-UHFFFAOYSA-N -1 1 280.686 3.342 20 0 CGADMM NC(=O)c1cc(-c2c(F)ccc([O-])c2Cl)ccc1F ZINC001245831249 803986216 /nfs/dbraw/zinc/98/62/16/803986216.db2.gz BLCYUBVMIRSNIN-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM NC(=O)c1ccc(F)c(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245831130 803986610 /nfs/dbraw/zinc/98/66/10/803986610.db2.gz FKHZMUQEDAVARG-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM Cc1nc(N)ccc1-c1c(F)ccc([O-])c1Cl ZINC001245832055 803986690 /nfs/dbraw/zinc/98/66/90/803986690.db2.gz SNQNTBPUOGCBCV-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM COc1ccc(-c2c(F)ccc([O-])c2Cl)nc1F ZINC001245833052 803988044 /nfs/dbraw/zinc/98/80/44/803988044.db2.gz XNDBSSOYVVMVSY-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM O=c1cc(CCC2CCCC2)[n-]n1-c1ccncc1 ZINC001245933160 804062739 /nfs/dbraw/zinc/06/27/39/804062739.db2.gz XBOCZKBJTIPGDJ-UHFFFAOYSA-N -1 1 257.337 3.096 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1ccc(F)c(Cl)c1 ZINC001245952575 804087195 /nfs/dbraw/zinc/08/71/95/804087195.db2.gz CBBCERWOQMEMQA-UHFFFAOYSA-N -1 1 266.703 3.323 20 0 CGADMM Cc1cccc2c1CN(Cc1cc(F)c([O-])c(F)c1)C2 ZINC001140988274 804563866 /nfs/dbraw/zinc/56/38/66/804563866.db2.gz VHFSXBZKHUPKET-UHFFFAOYSA-N -1 1 275.298 3.495 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@@H](F)C(F)(F)C2)cc1F ZINC001140988238 804564795 /nfs/dbraw/zinc/56/47/95/804564795.db2.gz SXGYMSSUHSYZKM-LLVKDONJSA-N -1 1 295.251 3.240 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC001141597055 804655918 /nfs/dbraw/zinc/65/59/18/804655918.db2.gz HEMKUDKXGJFSCQ-UHFFFAOYSA-N -1 1 296.326 3.443 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc2c(s1)CCC2 ZINC001141831236 804671097 /nfs/dbraw/zinc/67/10/97/804671097.db2.gz GNZWQTHWOZRJBS-UHFFFAOYSA-N -1 1 295.310 3.473 20 0 CGADMM C[C@@H](Cc1ccccc1F)NC(=O)c1cccc([O-])c1F ZINC001142079226 804693959 /nfs/dbraw/zinc/69/39/59/804693959.db2.gz KPNUVVOAWIKRCE-JTQLQIEISA-N -1 1 291.297 3.031 20 0 CGADMM Cc1ccc(Cl)cc1-c1noc(-c2ncccc2[O-])n1 ZINC001212480908 815036057 /nfs/dbraw/zinc/03/60/57/815036057.db2.gz PHCGSYABZMHNFF-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM Cc1cc(-c2noc(-c3ncccc3[O-])n2)cc(C)c1F ZINC001212481038 815036097 /nfs/dbraw/zinc/03/60/97/815036097.db2.gz WZQHTDNAICJGHL-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM CCC/C(C)=C\C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142542703 804736507 /nfs/dbraw/zinc/73/65/07/804736507.db2.gz UDQHLHWZNNQIGJ-YVMONPNESA-N -1 1 255.264 3.355 20 0 CGADMM CCCO[C@@H]1CCN(Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142656374 804750203 /nfs/dbraw/zinc/75/02/03/804750203.db2.gz FOVKSQKUBCNVQI-CYBMUJFWSA-N -1 1 297.782 3.039 20 0 CGADMM CC1(C)C[C@]1(C)CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001248171505 804890168 /nfs/dbraw/zinc/89/01/68/804890168.db2.gz RPJKTCRLXVMCRQ-OAHLLOKOSA-N -1 1 296.798 3.281 20 0 CGADMM CSc1ccc([O-])c(C(=O)N(C)c2cccc(C)n2)c1 ZINC001147685408 805143953 /nfs/dbraw/zinc/14/39/53/805143953.db2.gz YFKVOUAIJDUOKA-UHFFFAOYSA-N -1 1 288.372 3.094 20 0 CGADMM Cc1cccc2c1N(C(=O)c1cccc([O-])c1F)CC2 ZINC001148333922 805175898 /nfs/dbraw/zinc/17/58/98/805175898.db2.gz BVBQDVYYHVHBDF-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM O=C([O-])c1c(F)ccc(CN2CCCCCC2)c1F ZINC001249760634 805236339 /nfs/dbraw/zinc/23/63/39/805236339.db2.gz PZPSGTCIQAIOIV-UHFFFAOYSA-N -1 1 269.291 3.039 20 0 CGADMM CC1CC(N(C)C(=O)c2cc3cccc(O)c3cc2[O-])C1 ZINC001149649853 805240121 /nfs/dbraw/zinc/24/01/21/805240121.db2.gz GBHGAOKHRPXNBU-UHFFFAOYSA-N -1 1 285.343 3.122 20 0 CGADMM O=C([O-])c1c(F)ccc(CN2CCC3(CCC3)C2)c1F ZINC001249776280 805242721 /nfs/dbraw/zinc/24/27/21/805242721.db2.gz KSEZQTJEKQODJJ-UHFFFAOYSA-N -1 1 281.302 3.039 20 0 CGADMM O=C(NC[C@@H]1CCCC12CC2)c1ncc2ccccc2c1[O-] ZINC001150606416 805261757 /nfs/dbraw/zinc/26/17/57/805261757.db2.gz CHKNJAKKTBDTEX-ZDUSSCGKSA-N -1 1 296.370 3.251 20 0 CGADMM Cc1ncc([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])s1 ZINC001151123686 805282885 /nfs/dbraw/zinc/28/28/85/805282885.db2.gz BFEBECAMCUSOIV-ZETCQYMHSA-N -1 1 296.779 3.302 20 0 CGADMM CCC(C)(C)CCNC(=O)c1cccc([O-])c1F ZINC001151119146 805283638 /nfs/dbraw/zinc/28/36/38/805283638.db2.gz LZRIRWZRNWUTGZ-UHFFFAOYSA-N -1 1 253.317 3.087 20 0 CGADMM [O-]c1cc(Nc2nc(F)c(F)cc2F)c(F)c(F)c1F ZINC001249957967 805324235 /nfs/dbraw/zinc/32/42/35/805324235.db2.gz HVXWOJNSQRTGHX-UHFFFAOYSA-N -1 1 294.154 3.365 20 0 CGADMM [O-]c1cc(Nc2ncc(Cl)cc2O)c(F)c(F)c1F ZINC001249957399 805325518 /nfs/dbraw/zinc/32/55/18/805325518.db2.gz FLKNCAYBYJTMGD-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM Cc1cnc(Nc2cc([O-])c(F)c(F)c2F)c(Cl)n1 ZINC001249957193 805325560 /nfs/dbraw/zinc/32/55/60/805325560.db2.gz BXKHYDNMFPTEIC-UHFFFAOYSA-N -1 1 289.644 3.305 20 0 CGADMM Nc1cc(Cl)cnc1Nc1cc([O-])c(F)c(F)c1F ZINC001249960358 805326933 /nfs/dbraw/zinc/32/69/33/805326933.db2.gz CWCDUVRGNHNTDQ-UHFFFAOYSA-N -1 1 289.644 3.184 20 0 CGADMM [O-]c1cc(Nc2ccnc(Cl)c2O)c(F)c(F)c1F ZINC001249961291 805328985 /nfs/dbraw/zinc/32/89/85/805328985.db2.gz PCTXGJNIQQFSLT-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM COc1cncc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250020131 805371307 /nfs/dbraw/zinc/37/13/07/805371307.db2.gz LRJNQLWYQJSGEV-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM Cc1cc(Nc2cc(Cl)c([O-])cc2F)n(CCF)n1 ZINC001250023690 805374509 /nfs/dbraw/zinc/37/45/09/805374509.db2.gz WAEJPDFUHKTUSA-UHFFFAOYSA-N -1 1 287.697 3.403 20 0 CGADMM CC1CC(N(C)C(=O)c2c([O-])ccc3ccccc32)C1 ZINC001153498657 805399700 /nfs/dbraw/zinc/39/97/00/805399700.db2.gz IRAAHSOSDSIXSQ-UHFFFAOYSA-N -1 1 269.344 3.416 20 0 CGADMM CO[C@@H]1CCN(C(=O)c2c([O-])ccc3ccccc32)[C@H](C)C1 ZINC001153506315 805400251 /nfs/dbraw/zinc/40/02/51/805400251.db2.gz RRNWDGWQDXSVCT-TZMCWYRMSA-N -1 1 299.370 3.185 20 0 CGADMM O=C(/C=C\c1ccccc1)NCc1ccc([O-])c(Cl)c1 ZINC001154105502 805433405 /nfs/dbraw/zinc/43/34/05/805433405.db2.gz DWZPNFWYAOAYNS-CLFYSBASSA-N -1 1 287.746 3.375 20 0 CGADMM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc(F)c([O-])c1 ZINC001154509273 805460117 /nfs/dbraw/zinc/46/01/17/805460117.db2.gz VNKWXPVTCHJAAH-SNVBAGLBSA-N -1 1 293.260 3.238 20 0 CGADMM CC(C)C1(C)CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001154825418 805492712 /nfs/dbraw/zinc/49/27/12/805492712.db2.gz LUPMHZIUOGJDKX-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM Cc1cc(O)cnc1Nc1c(F)ccc([O-])c1Cl ZINC001250228082 805504269 /nfs/dbraw/zinc/50/42/69/805504269.db2.gz KFGAUXPOPQASLU-UHFFFAOYSA-N -1 1 268.675 3.337 20 0 CGADMM Cc1nccnc1Nc1c(F)ccc([O-])c1Cl ZINC001250228237 805504447 /nfs/dbraw/zinc/50/44/47/805504447.db2.gz RXPUBGKOKLQVBV-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM Cc1nc2ccc(Nc3c(F)ccc([O-])c3Cl)cn2n1 ZINC001250228478 805504618 /nfs/dbraw/zinc/50/46/18/805504618.db2.gz CENFCJCYKZYWKU-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM Cc1ncncc1Nc1c(F)ccc([O-])c1Cl ZINC001250229264 805505072 /nfs/dbraw/zinc/50/50/72/805505072.db2.gz YMGYPPISSJYLGI-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM COC(=O)c1ncccc1Nc1c(F)ccc([O-])c1Cl ZINC001250227907 805505299 /nfs/dbraw/zinc/50/52/99/805505299.db2.gz BWHTZAJDFZJFTH-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM COC(=O)c1cc(Nc2c(F)ccc([O-])c2Cl)cn1C ZINC001250229445 805506114 /nfs/dbraw/zinc/50/61/14/805506114.db2.gz INIUTMHYRPVNRD-UHFFFAOYSA-N -1 1 298.701 3.053 20 0 CGADMM O=C(Cc1c(F)ccc([O-])c1Cl)Oc1ccccc1 ZINC001250259463 805528379 /nfs/dbraw/zinc/52/83/79/805528379.db2.gz HZYNLYYRHLFLSR-UHFFFAOYSA-N -1 1 280.682 3.333 20 0 CGADMM CCOC(=O)c1ccc(Cc2cc(F)c([O-])cc2F)cc1 ZINC001250325220 805569093 /nfs/dbraw/zinc/56/90/93/805569093.db2.gz UEIHBFPBOLCHFC-UHFFFAOYSA-N -1 1 292.281 3.438 20 0 CGADMM COC(=O)Cc1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001212622307 815087449 /nfs/dbraw/zinc/08/74/49/815087449.db2.gz ZVNIARISHCPFLH-UHFFFAOYSA-N -1 1 293.269 3.130 20 0 CGADMM CC1(C)CCC[C@@H]1CCNC(=O)c1ccc([O-])cc1F ZINC001167623253 807217787 /nfs/dbraw/zinc/21/77/87/807217787.db2.gz RNILXUPRZSLTTH-LLVKDONJSA-N -1 1 279.355 3.478 20 0 CGADMM CC(=O)Nc1ccc(Nc2ccnc(Cl)c2[O-])cc1F ZINC001212702607 815107468 /nfs/dbraw/zinc/10/74/68/815107468.db2.gz HEXBYGFKIQUNTB-UHFFFAOYSA-N -1 1 295.701 3.282 20 0 CGADMM CSCC[C@H](C)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001258213774 807368659 /nfs/dbraw/zinc/36/86/59/807368659.db2.gz XIQVIEQJJUFZDU-NSHDSACASA-N -1 1 291.420 3.440 20 0 CGADMM Cc1cc(F)c(F)cc1-c1noc(-c2ccncc2[O-])n1 ZINC001212721241 815113811 /nfs/dbraw/zinc/11/38/11/815113811.db2.gz FQZHVNKRNXNEJP-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC001259516075 807679941 /nfs/dbraw/zinc/67/99/41/807679941.db2.gz FDKHOUAZXRYVFP-UHFFFAOYSA-N -1 1 275.373 3.413 20 0 CGADMM CCCCC[C@@H]([N-]S(=O)(=O)C(F)F)c1ccccc1 ZINC001259965161 807695618 /nfs/dbraw/zinc/69/56/18/807695618.db2.gz ZFXCXHUJOHDGLN-GFCCVEGCSA-N -1 1 291.363 3.450 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC001260724535 807699885 /nfs/dbraw/zinc/69/98/85/807699885.db2.gz KHVVFKZRDWMLEM-GFCCVEGCSA-N -1 1 290.388 3.289 20 0 CGADMM CCC/C=C\C(=O)Nc1ccc(Br)c([O-])c1 ZINC001261732527 807779805 /nfs/dbraw/zinc/77/98/05/807779805.db2.gz WJXYLHMPYHQQPY-PLNGDYQASA-N -1 1 284.153 3.450 20 0 CGADMM O=C([O-])c1cccc(-n2[nH]c(C3CCCCC3)cc2=O)c1 ZINC001261891019 807799300 /nfs/dbraw/zinc/79/93/00/807799300.db2.gz WKRJQTUDDBUJAD-UHFFFAOYSA-N -1 1 286.331 3.058 20 0 CGADMM COC1CCC(=Nc2c([O-])cc(F)cc2F)CC1 ZINC001212879929 815172870 /nfs/dbraw/zinc/17/28/70/815172870.db2.gz MSUGXCYXPHBQNL-JTQLQIEISA-N -1 1 255.264 3.165 20 0 CGADMM CO[C@H]1CC=C(Nc2c([O-])cc(F)cc2F)CC1 ZINC001212879929 815172872 /nfs/dbraw/zinc/17/28/72/815172872.db2.gz MSUGXCYXPHBQNL-JTQLQIEISA-N -1 1 255.264 3.165 20 0 CGADMM CO[C@H]1CC=C(Nc2cc([O-])c(F)c(F)c2)CC1 ZINC001212881867 815173880 /nfs/dbraw/zinc/17/38/80/815173880.db2.gz NAJAPNUTVRQULC-JTQLQIEISA-N -1 1 255.264 3.165 20 0 CGADMM CN(C)C(=O)c1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001174088588 808855726 /nfs/dbraw/zinc/85/57/26/808855726.db2.gz ZLYVHKIHPAGYGH-UHFFFAOYSA-N -1 1 292.285 3.116 20 0 CGADMM COc1cc(F)ccc1Nc1ccnc(Cl)c1[O-] ZINC001174129587 808879984 /nfs/dbraw/zinc/87/99/84/808879984.db2.gz TXRUMRFPBCYJCT-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM Cn1cnc2ccc(Nc3cc([O-])c(F)c(F)c3)cc21 ZINC001174349262 808971585 /nfs/dbraw/zinc/97/15/85/808971585.db2.gz ZUJAQGJJKQWFTB-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM O=c1ccn(-c2ccc(Nc3ccnc4[nH]ccc43)cc2)[n-]1 ZINC001174412464 809006221 /nfs/dbraw/zinc/00/62/21/809006221.db2.gz MGDKGXKAUZDEDG-UHFFFAOYSA-N -1 1 291.314 3.149 20 0 CGADMM O=C([O-])c1ccc(Nc2ccc3c[nH]nc3c2)cc1 ZINC001174501807 809050439 /nfs/dbraw/zinc/05/04/39/809050439.db2.gz HOYXTKDIAMRVGC-UHFFFAOYSA-N -1 1 253.261 3.005 20 0 CGADMM COc1cc([N-]c2nnc(C(C)(C)C)o2)cc(F)c1F ZINC001174583399 809091964 /nfs/dbraw/zinc/09/19/64/809091964.db2.gz QOTQLULUYQTIPS-UHFFFAOYSA-N -1 1 283.278 3.398 20 0 CGADMM [O-]c1cc(Nc2ccc(O)c(F)c2)cc(F)c1F ZINC001174737335 809146219 /nfs/dbraw/zinc/14/62/19/809146219.db2.gz BHLBRRNUCRXTSX-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM [O-]c1c(F)cc(Nc2c(O)cccc2F)cc1F ZINC001213379171 815273645 /nfs/dbraw/zinc/27/36/45/815273645.db2.gz CDKIWFULVSQHHG-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1cc(CO)ccc1F ZINC001175133020 809285267 /nfs/dbraw/zinc/28/52/67/809285267.db2.gz SLOWUSCPWQRRGX-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM Cc1ccc(C)c(Nc2cc(S(C)(=O)=O)ccc2[O-])c1 ZINC001175163205 809294582 /nfs/dbraw/zinc/29/45/82/809294582.db2.gz JCMHYCFMJAKWTH-UHFFFAOYSA-N -1 1 291.372 3.156 20 0 CGADMM Cc1cccc2ncc(Nc3cccc(C(=O)[O-])c3)n21 ZINC001175330688 809359055 /nfs/dbraw/zinc/35/90/55/809359055.db2.gz PEWQGVQSFOYRRJ-UHFFFAOYSA-N -1 1 267.288 3.085 20 0 CGADMM COc1ncc([N-]c2cc(C(C)(C)C)no2)s1 ZINC001175386752 809385519 /nfs/dbraw/zinc/38/55/19/809385519.db2.gz BGLMRLWEVDTLRJ-UHFFFAOYSA-N -1 1 253.327 3.181 20 0 CGADMM CC(C)[C@H](CNC(=O)c1ncccc1[O-])Cc1ccccc1 ZINC001296635899 809506255 /nfs/dbraw/zinc/50/62/55/809506255.db2.gz UYNQAYRLPIYFBV-HNNXBMFYSA-N -1 1 298.386 3.032 20 0 CGADMM COc1cc(F)c(Nc2ccnc(Cl)c2[O-])c(F)c1 ZINC001175721811 809520692 /nfs/dbraw/zinc/52/06/92/809520692.db2.gz QDEPABZCWMPNTC-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM O=C(/C=C\c1ccc(O)cc1)Nc1ccc([O-])c(F)c1F ZINC001297820237 809523477 /nfs/dbraw/zinc/52/34/77/809523477.db2.gz MNSIPPQGLORVFE-BAQGIRSFSA-N -1 1 291.253 3.028 20 0 CGADMM Cc1ccccc1C1(NC(=O)c2ccc(F)c([O-])c2)CC1 ZINC001299825835 809556939 /nfs/dbraw/zinc/55/69/39/809556939.db2.gz BBWHQPNEIWJRIM-UHFFFAOYSA-N -1 1 285.318 3.259 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2cc3ccccc3cc2[O-])O1 ZINC001300962630 809577141 /nfs/dbraw/zinc/57/71/41/809577141.db2.gz PMYGRTCVZGCQGN-DOMZBBRYSA-N -1 1 299.370 3.233 20 0 CGADMM C[C@@H]1CC[C@H](CC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001303298463 809608424 /nfs/dbraw/zinc/60/84/24/809608424.db2.gz BMPZFKMLXLZZDB-MNOVXSKESA-N -1 1 281.783 3.488 20 0 CGADMM Cc1nc(Cl)ncc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663109 809737371 /nfs/dbraw/zinc/73/73/71/809737371.db2.gz CDFREAWLXFOCKR-UHFFFAOYSA-N -1 1 289.644 3.305 20 0 CGADMM CC(C)Cn1cnc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176669878 809740114 /nfs/dbraw/zinc/74/01/14/809740114.db2.gz NTIZSXREPSZJHK-UHFFFAOYSA-N -1 1 285.269 3.406 20 0 CGADMM COC(=O)Cc1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001213713910 815324696 /nfs/dbraw/zinc/32/46/96/815324696.db2.gz GUIKRVRDVRKCNL-UHFFFAOYSA-N -1 1 293.269 3.130 20 0 CGADMM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc([O-])cn1 ZINC001178524406 809873427 /nfs/dbraw/zinc/87/34/27/809873427.db2.gz UIRBIEGMVVUPBA-SUMWQHHRSA-N -1 1 296.370 3.196 20 0 CGADMM O=C(NC[C@]12C[C@H]1CCC2)c1cc2ccccc2cc1[O-] ZINC001178557018 809875692 /nfs/dbraw/zinc/87/56/92/809875692.db2.gz HEMIQKJZJGQTLX-KDOFPFPSSA-N -1 1 281.355 3.465 20 0 CGADMM C[C@H]1Cc2cc(NC(=O)c3cccc([O-])c3F)ccc2O1 ZINC001179509870 809926622 /nfs/dbraw/zinc/92/66/22/809926622.db2.gz MWQYXKJVSHPSFA-VIFPVBQESA-N -1 1 287.290 3.107 20 0 CGADMM CC[C@H](C)C[C@H](C)[N-]C(=O)C(F)(F)C(F)(F)Cl ZINC001179780355 809944561 /nfs/dbraw/zinc/94/45/61/809944561.db2.gz WMCMWRASQLPQAK-BQBZGAKWSA-N -1 1 277.689 3.394 20 0 CGADMM COc1cccc(-n2[n-]c(=O)c3ccc(N)cc32)c1C1CC1 ZINC001213809674 815334650 /nfs/dbraw/zinc/33/46/50/815334650.db2.gz AVWODXOKSGAESC-UHFFFAOYSA-N -1 1 295.342 3.199 20 0 CGADMM [O-]c1cc(Nc2cccnc2N2CCCC2)cc(F)c1F ZINC001184969056 810225939 /nfs/dbraw/zinc/22/59/39/810225939.db2.gz VVUPXZYYZJYQJL-UHFFFAOYSA-N -1 1 291.301 3.409 20 0 CGADMM C=Cc1cccc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)c1 ZINC001185996408 810308015 /nfs/dbraw/zinc/30/80/15/810308015.db2.gz DCLWVXHSOPRYOK-UHFFFAOYSA-N -1 1 299.355 3.007 20 0 CGADMM CC(C)c1ccccc1NC(=O)c1n[n-]nc1C(F)(F)F ZINC001187756984 810422745 /nfs/dbraw/zinc/42/27/45/810422745.db2.gz LUHAXRHSTLGBPU-UHFFFAOYSA-N -1 1 298.268 3.199 20 0 CGADMM O=C(Nc1ccccc1O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188587304 810490832 /nfs/dbraw/zinc/49/08/32/810490832.db2.gz RWWPOLFZZXMVPU-UHFFFAOYSA-N -1 1 297.232 3.369 20 0 CGADMM Cc1n[nH]c(C)c1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001188597501 810492056 /nfs/dbraw/zinc/49/20/56/810492056.db2.gz FVTSMDSDXDLMCI-UHFFFAOYSA-N -1 1 299.252 3.003 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2ccncc2)c2ccccc12 ZINC001190896006 810656103 /nfs/dbraw/zinc/65/61/03/810656103.db2.gz AAEXOMIXEFWCKR-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CCCc1cccc([N-]S(=O)(=O)c2ccccc2N)c1 ZINC001193938082 810981967 /nfs/dbraw/zinc/98/19/67/810981967.db2.gz OICULEJDYAFRGD-UHFFFAOYSA-N -1 1 290.388 3.022 20 0 CGADMM CCn1ncc(Nc2cc(F)c([O-])c(Cl)c2)c1C ZINC001214480167 815415104 /nfs/dbraw/zinc/41/51/04/815415104.db2.gz NCBNZKYVMMREGS-UHFFFAOYSA-N -1 1 269.707 3.453 20 0 CGADMM [O-]c1c(F)cc(Nc2ncncc2Cl)cc1Cl ZINC001214480444 815415274 /nfs/dbraw/zinc/41/52/74/815415274.db2.gz QNXZWEGTHWSBJI-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM NC(=O)c1sccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214480683 815416497 /nfs/dbraw/zinc/41/64/97/815416497.db2.gz YLCLIQFFRZIDLE-UHFFFAOYSA-N -1 1 286.715 3.089 20 0 CGADMM COc1nc(C)cnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482583 815416606 /nfs/dbraw/zinc/41/66/06/815416606.db2.gz CGPRGRBUBOZXQR-UHFFFAOYSA-N -1 1 283.690 3.035 20 0 CGADMM COc1ccc(CO)c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214491896 815417312 /nfs/dbraw/zinc/41/73/12/815417312.db2.gz LYKKLPRPKMQADB-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2ccccc2C(C)C)n1 ZINC001195315652 811240559 /nfs/dbraw/zinc/24/05/59/811240559.db2.gz RBNZNWBQWRSVBT-UHFFFAOYSA-N -1 1 270.332 3.471 20 0 CGADMM C=Cc1ccc(NC(=O)c2cc([O-])cnc2Cl)cc1 ZINC001195308849 811241494 /nfs/dbraw/zinc/24/14/94/811241494.db2.gz KRNSSZNUPFKFAW-UHFFFAOYSA-N -1 1 274.707 3.336 20 0 CGADMM CCCOc1cc([N-]c2nc(C)ns2)c(Cl)cn1 ZINC001214731185 815446259 /nfs/dbraw/zinc/44/62/59/815446259.db2.gz YXHHGARFIMHSRI-UHFFFAOYSA-N -1 1 284.772 3.427 20 0 CGADMM C=CS(=O)(=O)[N-]c1cccc2c3ccccc3oc21 ZINC001198609575 811524908 /nfs/dbraw/zinc/52/49/08/811524908.db2.gz GXLPZLWTLAZKDR-UHFFFAOYSA-N -1 1 273.313 3.471 20 0 CGADMM CCCCCNC(=S)Nc1ccc(F)cc1[O-] ZINC001200055892 811630718 /nfs/dbraw/zinc/63/07/18/811630718.db2.gz BBRLYKMOKKHDJX-UHFFFAOYSA-N -1 1 256.346 3.008 20 0 CGADMM [O-]c1c(F)cc(F)cc1NC(=S)Nc1ccccc1 ZINC001200840463 811752225 /nfs/dbraw/zinc/75/22/25/811752225.db2.gz ABFFFYPXRFMXNK-UHFFFAOYSA-N -1 1 280.299 3.479 20 0 CGADMM [O-]c1cc(Nc2ccc(CO)c(F)c2F)cc(F)c1F ZINC001215038654 815479176 /nfs/dbraw/zinc/47/91/76/815479176.db2.gz WQORWXCJYJYIGO-UHFFFAOYSA-N -1 1 287.212 3.185 20 0 CGADMM CC(C)Oc1cncc(Nc2ccnc(Cl)c2[O-])c1 ZINC001201542389 811894065 /nfs/dbraw/zinc/89/40/65/811894065.db2.gz MJEQQBMCTSUKLP-UHFFFAOYSA-N -1 1 279.727 3.366 20 0 CGADMM CC(=O)c1cccc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC001215139689 815487820 /nfs/dbraw/zinc/48/78/20/815487820.db2.gz LMZIKDSGWNNQDI-UHFFFAOYSA-N -1 1 280.283 3.312 20 0 CGADMM COc1ccc(-c2ccc([N-]c3nonc3N)cc2)cc1 ZINC001203947422 812499165 /nfs/dbraw/zinc/49/91/65/812499165.db2.gz IHEKKFDFZCHLPM-UHFFFAOYSA-N -1 1 282.303 3.071 20 0 CGADMM COc1c(Nc2cc(=O)[n-]c(SC)n2)ccc(C)c1F ZINC001215600591 815545286 /nfs/dbraw/zinc/54/52/86/815545286.db2.gz SHMSIJJAKCVEBX-UHFFFAOYSA-N -1 1 295.339 3.104 20 0 CGADMM CN1CCc2c(F)cc(-c3ccsc3C(=O)[O-])cc2C1 ZINC001205613966 813025152 /nfs/dbraw/zinc/02/51/52/813025152.db2.gz HEHWFHXZRYRXMF-UHFFFAOYSA-N -1 1 291.347 3.240 20 0 CGADMM CCc1cc(-c2ccc3c(c2)CC(=O)[N-]C3=O)ccc1Cl ZINC001205820902 813096184 /nfs/dbraw/zinc/09/61/84/813096184.db2.gz WOGFQWBKMXFPHN-UHFFFAOYSA-N -1 1 299.757 3.382 20 0 CGADMM CC(C)Cn1cc(Nc2c([O-])cc(F)cc2F)cn1 ZINC001205863871 813112490 /nfs/dbraw/zinc/11/24/90/813112490.db2.gz MBDOXNQLKVYKEA-UHFFFAOYSA-N -1 1 267.279 3.267 20 0 CGADMM Cc1c[nH]c2ncc(Nc3ccnc(Cl)c3[O-])cc12 ZINC001206033476 813173902 /nfs/dbraw/zinc/17/39/02/813173902.db2.gz PJPSRGZOKNAVPF-UHFFFAOYSA-N -1 1 274.711 3.369 20 0 CGADMM COC(=O)c1cc(-c2cc(F)c([O-])cc2F)ccc1F ZINC001206776009 813434696 /nfs/dbraw/zinc/43/46/96/813434696.db2.gz VQHIDGCAHNYSPT-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM [O-]c1ccc(CNc2cnc3[nH]ccc3c2)c(F)c1F ZINC001207553245 813592458 /nfs/dbraw/zinc/59/24/58/813592458.db2.gz IOOWOQQOLOPMIK-UHFFFAOYSA-N -1 1 275.258 3.110 20 0 CGADMM COc1ncc(Nc2ccc(F)c(F)c2[O-])cc1C ZINC001210317172 814401439 /nfs/dbraw/zinc/40/14/39/814401439.db2.gz ZLXFGVCTNKFVEL-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM Cn1ccc(Nc2ccc(Cl)c(Cl)c2[O-])n1 ZINC001210354092 814418636 /nfs/dbraw/zinc/41/86/36/814418636.db2.gz VBPRHGHXPFSJLZ-UHFFFAOYSA-N -1 1 258.108 3.176 20 0 CGADMM COCCCn1cc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001210423157 814452051 /nfs/dbraw/zinc/45/20/51/814452051.db2.gz CGKXTDZDXNPVLI-UHFFFAOYSA-N -1 1 299.733 3.161 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc2ncncc2c1 ZINC001210457146 814468273 /nfs/dbraw/zinc/46/82/73/814468273.db2.gz IPTLVOJTZHGMND-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc2ncncc2c1 ZINC001210459028 814468369 /nfs/dbraw/zinc/46/83/69/814468369.db2.gz YCQGUZBDSJRVPJ-UHFFFAOYSA-N -1 1 273.242 3.357 20 0 CGADMM C[C@@H](O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001210649972 814572228 /nfs/dbraw/zinc/57/22/28/814572228.db2.gz DWADQVDSYLDRIZ-MRVPVSSYSA-N -1 1 265.259 3.467 20 0 CGADMM Clc1nc([N-]c2nccs2)cnc1Br ZINC001210987072 814699930 /nfs/dbraw/zinc/69/99/30/814699930.db2.gz IRQAGLUJWPLZDA-UHFFFAOYSA-N -1 1 291.561 3.093 20 0 CGADMM COc1cnc(-c2cccc([O-])c2Cl)nc1NC1CC1 ZINC001242798620 823135769 /nfs/dbraw/zinc/13/57/69/823135769.db2.gz MOTXTWXSJGXJDS-UHFFFAOYSA-N -1 1 291.738 3.086 20 0 CGADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2)c(C)n1 ZINC001211044069 814718169 /nfs/dbraw/zinc/71/81/69/814718169.db2.gz HVQBRFFZWDWLAV-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM [O-]c1cccc(-c2ccc(OC(F)F)nn2)c1Cl ZINC001242799495 823136519 /nfs/dbraw/zinc/13/65/19/823136519.db2.gz OAVCCWMJVJOBNI-UHFFFAOYSA-N -1 1 272.638 3.104 20 0 CGADMM CC(=O)Oc1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211350538 814883636 /nfs/dbraw/zinc/88/36/36/814883636.db2.gz SAFHFCJFUZIQPP-UHFFFAOYSA-N -1 1 264.227 3.263 20 0 CGADMM Cc1cc(Nc2ccnn2-c2ccncc2)cc(C(=O)[O-])c1 ZINC001211539148 814903639 /nfs/dbraw/zinc/90/36/39/814903639.db2.gz IKUMWXFQLJQCTH-UHFFFAOYSA-N -1 1 294.314 3.018 20 0 CGADMM COCOc1ccccc1Nc1c([O-])cc(F)cc1F ZINC001211562495 814908684 /nfs/dbraw/zinc/90/86/84/814908684.db2.gz ODMFWMZXKHGVRL-UHFFFAOYSA-N -1 1 281.258 3.397 20 0 CGADMM Cc1cc(-c2noc(-c3cccc([O-])c3F)n2)cc(C)n1 ZINC001215988959 815653178 /nfs/dbraw/zinc/65/31/78/815653178.db2.gz MQSXHUAUJTUWSI-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM Cc1c(F)cncc1[N-]c1nc(C(C)(C)C)ns1 ZINC001216190921 815729198 /nfs/dbraw/zinc/72/91/98/815729198.db2.gz UGLLIINADRDRPT-UHFFFAOYSA-N -1 1 266.345 3.422 20 0 CGADMM S=c1nc2[nH]cnc(-c3cccc([S-])c3)c-2s1 ZINC001242865025 823157849 /nfs/dbraw/zinc/15/78/49/823157849.db2.gz RQKIDHISWCRLQY-UHFFFAOYSA-N -1 1 277.399 3.331 20 0 CGADMM CCCNC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001220236197 816284089 /nfs/dbraw/zinc/28/40/89/816284089.db2.gz RQMZPANQDHXREX-UHFFFAOYSA-N -1 1 255.317 3.199 20 0 CGADMM CCCCC[C@H](OCc1nn[n-]n1)[C@H](C)CCC ZINC001223027342 816554232 /nfs/dbraw/zinc/55/42/32/816554232.db2.gz OFBNGGQMVPWIJD-NEPJUHHUSA-N -1 1 254.378 3.101 20 0 CGADMM CCC[C@@H](C)[C@@H](CC)OCCCC[P@](=O)([O-])O ZINC001225019610 816934735 /nfs/dbraw/zinc/93/47/35/816934735.db2.gz YTZBQAITWMBJCG-VXGBXAGGSA-N -1 1 266.318 3.176 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)c1cccnc1 ZINC001225615429 817112248 /nfs/dbraw/zinc/11/22/48/817112248.db2.gz APEJOLUDTOSPIS-NSHDSACASA-N -1 1 257.289 3.130 20 0 CGADMM COC1=CC[C@@H](Oc2cc([O-])ccc2C(C)=O)CC1 ZINC001225619846 817115295 /nfs/dbraw/zinc/11/52/95/817115295.db2.gz XZOJICWDPIOLII-CYBMUJFWSA-N -1 1 262.305 3.056 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1OC1CCCCC1 ZINC001225678887 817138296 /nfs/dbraw/zinc/13/82/96/817138296.db2.gz LUFBKSYVGHYKMV-UHFFFAOYSA-N -1 1 250.294 3.012 20 0 CGADMM C[C@@H](Oc1cc(=O)[n-]c(-c2ccccc2)n1)c1cccnc1 ZINC001226181464 817292410 /nfs/dbraw/zinc/29/24/10/817292410.db2.gz DQANRHOINZYCTQ-GFCCVEGCSA-N -1 1 293.326 3.384 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H]1CCc2cc(C)ccc21 ZINC001226242548 817308199 /nfs/dbraw/zinc/30/81/99/817308199.db2.gz POQZTMDVIWGINV-LBPRGKRZSA-N -1 1 288.372 3.149 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@H]3CC[C@@H](C)C3)c12 ZINC001226486661 817373919 /nfs/dbraw/zinc/37/39/19/817373919.db2.gz SRMDVJNMQIQUET-SKDRFNHKSA-N -1 1 274.316 3.374 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CC2CCC1CC2 ZINC001227169420 817578250 /nfs/dbraw/zinc/57/82/50/817578250.db2.gz SZRBNBOBNQOTBI-ZEPSKSRBSA-N -1 1 290.359 3.179 20 0 CGADMM Cc1ccc2nc(=O)[nH]c(O[C@@H](C)C3=CC=C[CH]3)c2c1 ZINC001227351215 817630661 /nfs/dbraw/zinc/63/06/61/817630661.db2.gz PLFNZPCKUZFVAH-NSHDSACASA-N -1 1 267.308 3.112 20 0 CGADMM C[C@@H](Oc1[n-]c(=S)ncc1F)c1ccccc1F ZINC001227382800 817635521 /nfs/dbraw/zinc/63/55/21/817635521.db2.gz GVUWKRCUYXNLJM-SSDOTTSWSA-N -1 1 268.288 3.184 20 0 CGADMM Fc1ccc2c(c1)CC[C@@H]2Oc1[n-]c(=S)ncc1F ZINC001227387117 817637426 /nfs/dbraw/zinc/63/74/26/817637426.db2.gz TVZMHIRXGCGKDH-NSHDSACASA-N -1 1 280.299 3.110 20 0 CGADMM Cc1cccc2c1[C@@H](Oc1[n-]c(=O)nc3c1CO[C@@H]3C)CC2 ZINC001227709475 817699092 /nfs/dbraw/zinc/69/90/92/817699092.db2.gz DEPZDKHLZMQGPR-MFKMUULPSA-N -1 1 298.342 3.148 20 0 CGADMM CC1(C)C[C@H](Oc2[n-]c(=S)nc3cnccc32)CCO1 ZINC001227885143 817743605 /nfs/dbraw/zinc/74/36/05/817743605.db2.gz KZJMLHFMFJVOBX-SECBINFHSA-N -1 1 291.376 3.024 20 0 CGADMM COc1ccc([C@@H](C)Oc2cc(=O)[n-]c(SC)n2)cc1 ZINC001228089551 817808911 /nfs/dbraw/zinc/80/89/11/817808911.db2.gz FDJKJFRXIFXXCK-SECBINFHSA-N -1 1 292.360 3.053 20 0 CGADMM CSc1nc(O[C@H]2CCc3cc(F)ccc32)cc(=O)[n-]1 ZINC001228096200 817812010 /nfs/dbraw/zinc/81/20/10/817812010.db2.gz ZNDNTGSYQVZYDT-NSHDSACASA-N -1 1 292.335 3.110 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CC=C(OC)CC1 ZINC001228557585 817938099 /nfs/dbraw/zinc/93/80/99/817938099.db2.gz YEMYUTWVJSQYGG-GFCCVEGCSA-N -1 1 292.331 3.152 20 0 CGADMM C[C@@H](Oc1cccnc1-c1ncccc1[O-])C1CCC1 ZINC001231199582 818055403 /nfs/dbraw/zinc/05/54/03/818055403.db2.gz FERYRTAWQUYJAM-LLVKDONJSA-N -1 1 270.332 3.417 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccccc1OC1CC1 ZINC001231230919 818062617 /nfs/dbraw/zinc/06/26/17/818062617.db2.gz RDIQHCMAVJAZQH-UHFFFAOYSA-N -1 1 254.285 3.164 20 0 CGADMM CCN(Cc1ccc(Cl)c([O-])c1)CC(F)(F)F ZINC001231737818 818164574 /nfs/dbraw/zinc/16/45/74/818164574.db2.gz WJDJGZPARKIYIW-UHFFFAOYSA-N -1 1 267.678 3.430 20 0 CGADMM Cc1cnc2c(c1)CN(Cc1cccc([O-])c1Cl)CC2 ZINC001232789860 818441551 /nfs/dbraw/zinc/44/15/51/818441551.db2.gz UQUJFEXOYITVOV-UHFFFAOYSA-N -1 1 288.778 3.307 20 0 CGADMM [O-]c1c(F)ccc(CN2CCC[C@@H]2c2ccncc2)c1F ZINC001232936143 818476912 /nfs/dbraw/zinc/47/69/12/818476912.db2.gz QBLAENMUWKSWQU-CQSZACIVSA-N -1 1 290.313 3.403 20 0 CGADMM COc1cccc2c1CN(Cc1ccc(F)c([O-])c1F)C2 ZINC001232937462 818477654 /nfs/dbraw/zinc/47/76/54/818477654.db2.gz OIWJEVQMTLYRBA-UHFFFAOYSA-N -1 1 291.297 3.195 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCCC[C@H]1C(F)(F)F ZINC001233035571 818504530 /nfs/dbraw/zinc/50/45/30/818504530.db2.gz GHURTZSMSGZRKU-JTQLQIEISA-N -1 1 294.704 3.357 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1Cc2cnc(Cl)cc2C1 ZINC001233041651 818507078 /nfs/dbraw/zinc/50/70/78/818507078.db2.gz ZTLBXYYYVRFZQE-UHFFFAOYSA-N -1 1 296.157 3.005 20 0 CGADMM O=c1ccc2ccc(-c3ccc([O-])c(F)c3F)cc2o1 ZINC001243340897 823354283 /nfs/dbraw/zinc/35/42/83/823354283.db2.gz ITIIZLGJVIRRRY-UHFFFAOYSA-N -1 1 274.222 3.444 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@H](C)c1ncccn1 ZINC001233645699 818668983 /nfs/dbraw/zinc/66/89/83/818668983.db2.gz ATIGXYNQYUQKSJ-LLVKDONJSA-N -1 1 286.331 3.305 20 0 CGADMM COC(=O)c1cccc2[n-]c(O[C@@H]3CCCC[C@H]3F)nc21 ZINC001234043587 818766402 /nfs/dbraw/zinc/76/64/02/818766402.db2.gz DNDHIFQKRRJQDB-ZYHUDNBSSA-N -1 1 292.310 3.009 20 0 CGADMM COC(=O)c1cccc2nc(O[C@@H]3CCCC[C@H]3F)[n-]c21 ZINC001234043587 818766404 /nfs/dbraw/zinc/76/64/04/818766404.db2.gz DNDHIFQKRRJQDB-ZYHUDNBSSA-N -1 1 292.310 3.009 20 0 CGADMM CC[C@@H](C)[C@@H](C)Oc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001234045396 818767065 /nfs/dbraw/zinc/76/70/65/818767065.db2.gz UEUPZOYAYGSFLD-NXEZZACHSA-N -1 1 276.336 3.163 20 0 CGADMM CC[C@@H](C)[C@@H](C)Oc1nc2cccc(C(=O)OC)c2[n-]1 ZINC001234045396 818767073 /nfs/dbraw/zinc/76/70/73/818767073.db2.gz UEUPZOYAYGSFLD-NXEZZACHSA-N -1 1 276.336 3.163 20 0 CGADMM Cc1c(N)ccnc1-c1ccc(Cl)c(C(=O)[O-])c1F ZINC001236145387 819346869 /nfs/dbraw/zinc/34/68/69/819346869.db2.gz YVGQGSKLIIBHAX-UHFFFAOYSA-N -1 1 280.686 3.130 20 0 CGADMM Cc1ccc(F)c(-c2ccc(-n3cccc3)nn2)c1[O-] ZINC001236391361 819447442 /nfs/dbraw/zinc/44/74/42/819447442.db2.gz MMJLLBYLGQHVRK-UHFFFAOYSA-N -1 1 269.279 3.087 20 0 CGADMM C=C(OCC)c1ccc(-c2c(F)ccc(C)c2[O-])nn1 ZINC001236394572 819449814 /nfs/dbraw/zinc/44/98/14/819449814.db2.gz ZDNDQWYFRCPDSV-UHFFFAOYSA-N -1 1 274.295 3.304 20 0 CGADMM COC(=O)Cc1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243502232 823421718 /nfs/dbraw/zinc/42/17/18/823421718.db2.gz IJPOARFIGUHTEC-UHFFFAOYSA-N -1 1 278.254 3.053 20 0 CGADMM CCOC(=O)Cc1ccc(-c2cc(F)cc(F)c2[O-])cc1 ZINC001243503203 823421864 /nfs/dbraw/zinc/42/18/64/823421864.db2.gz RPSITTZKFUZRJX-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM O=C1Nc2cccc(-c3cc(F)cc(F)c3[O-])c2C12CC2 ZINC001243504408 823422303 /nfs/dbraw/zinc/42/23/03/823422303.db2.gz MCRJJGBAJKCRTJ-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM O=C1CCc2c(cccc2-c2cc(F)cc(F)c2[O-])N1 ZINC001243506134 823423785 /nfs/dbraw/zinc/42/37/85/823423785.db2.gz XRXOTTWPKLTUPP-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM COc1nc(C)ccc1-c1cc(F)cc(F)c1[O-] ZINC001243506284 823423825 /nfs/dbraw/zinc/42/38/25/823423825.db2.gz RXQNEZMBTAYANL-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM C[C@@]1(F)CCCCN(Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001238232927 819966432 /nfs/dbraw/zinc/96/64/32/819966432.db2.gz GNFYHABVOOPUOK-OAHLLOKOSA-N -1 1 283.318 3.238 20 0 CGADMM [O-]c1cc(-c2cc3nccnc3cn2)ccc1Cl ZINC001243576503 823451266 /nfs/dbraw/zinc/45/12/66/823451266.db2.gz IMIPWRVYDSNJFV-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM COc1ncnc(-c2ccc(C(F)(F)F)cc2[O-])c1C ZINC001243607876 823465712 /nfs/dbraw/zinc/46/57/12/823465712.db2.gz DMXPSSQZDAZZRE-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM Cc1ncnc(-c2ccc(C(F)(F)F)cc2[O-])c1C ZINC001243609371 823466574 /nfs/dbraw/zinc/46/65/74/823466574.db2.gz QBHYNPGNFODIBL-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM O=C1Cc2cc(-c3cccc(C(F)F)c3)ccc2C(=O)[N-]1 ZINC001240693897 821250056 /nfs/dbraw/zinc/25/00/56/821250056.db2.gz GRPOBGQAYVBOGT-UHFFFAOYSA-N -1 1 287.265 3.104 20 0 CGADMM Cc1nc2c(c(-c3cc(F)ccc3[O-])n1)CCCC2 ZINC001240694012 821250071 /nfs/dbraw/zinc/25/00/71/821250071.db2.gz MFGZGXAUBQBAQI-UHFFFAOYSA-N -1 1 258.296 3.176 20 0 CGADMM Cc1nc(-c2cc(F)ccc2[O-])cc(C(F)(F)F)n1 ZINC001240693314 821250288 /nfs/dbraw/zinc/25/02/88/821250288.db2.gz MNIVQCIJYLWOMV-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM [O-]c1ccc(F)cc1-c1ccc(-c2ncccn2)cn1 ZINC001240697056 821253986 /nfs/dbraw/zinc/25/39/86/821253986.db2.gz BSUGQSAHRVMVDM-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM COCc1cc(-c2cc(F)ccc2[O-])nc(C(C)(C)C)n1 ZINC001240696639 821254182 /nfs/dbraw/zinc/25/41/82/821254182.db2.gz UWGHLFBURROSFQ-UHFFFAOYSA-N -1 1 290.338 3.432 20 0 CGADMM CCc1c(C)cc(-c2ccc([P@@](=O)([O-])O)cc2)cc1C ZINC001240740446 821292470 /nfs/dbraw/zinc/29/24/70/821292470.db2.gz OXXIPHBRSYRVKS-UHFFFAOYSA-N -1 1 290.299 3.336 20 0 CGADMM CCc1c(C)cc(-c2ccc([P@](=O)([O-])O)cc2)cc1C ZINC001240740446 821292477 /nfs/dbraw/zinc/29/24/77/821292477.db2.gz OXXIPHBRSYRVKS-UHFFFAOYSA-N -1 1 290.299 3.336 20 0 CGADMM Cc1ccc2ncc(-c3ccc([O-])c(F)c3)nc2c1 ZINC001240782625 821321356 /nfs/dbraw/zinc/32/13/56/821321356.db2.gz CAJDWDRCFREQGX-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM Cc1cnc(-c2ccc([O-])c(F)c2)nc1NCC1CC1 ZINC001240784445 821323579 /nfs/dbraw/zinc/32/35/79/821323579.db2.gz ZVJJOYLQQREGNS-UHFFFAOYSA-N -1 1 273.311 3.119 20 0 CGADMM CC(C)OC(=O)c1cccnc1-c1ccc([O-])c(F)c1 ZINC001240786105 821326646 /nfs/dbraw/zinc/32/66/46/821326646.db2.gz LYAXQSJIVFJXEI-UHFFFAOYSA-N -1 1 275.279 3.159 20 0 CGADMM Cc1nc2ccc(-c3ccc(CC(=O)[O-])cc3)cc2[nH]1 ZINC001240973979 821457864 /nfs/dbraw/zinc/45/78/64/821457864.db2.gz SYYYCYGHKVRBIF-UHFFFAOYSA-N -1 1 266.300 3.165 20 0 CGADMM CC(C)c1cc(-c2c(F)cc([O-])cc2F)ncn1 ZINC001241117325 821572015 /nfs/dbraw/zinc/57/20/15/821572015.db2.gz MGKBOVWOQJXHNW-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM CC(C)(C)c1nccc(-c2c(F)cc([O-])cc2F)n1 ZINC001241118211 821573520 /nfs/dbraw/zinc/57/35/20/821573520.db2.gz NURGXVOKMVRRQV-UHFFFAOYSA-N -1 1 264.275 3.425 20 0 CGADMM COc1cc(C)c(-c2c(F)cc([O-])cc2F)c(C)n1 ZINC001241122619 821578488 /nfs/dbraw/zinc/57/84/88/821578488.db2.gz IEXRHQMHPHEEMA-UHFFFAOYSA-N -1 1 265.259 3.358 20 0 CGADMM COC(=O)CCc1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241122610 821578801 /nfs/dbraw/zinc/57/88/01/821578801.db2.gz HSQLIBOSGUGXFQ-UHFFFAOYSA-N -1 1 292.281 3.443 20 0 CGADMM Cn1ccc2ncc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241122436 821579087 /nfs/dbraw/zinc/57/90/87/821579087.db2.gz CWPHDOCTJTVBTQ-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM Cc1nc(-c2cc([O-])cc(F)c2)nc2ccccc12 ZINC001241256090 821675522 /nfs/dbraw/zinc/67/55/22/821675522.db2.gz MVKLIFHYPPLVEJ-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM [O-]c1ccc(F)c(-c2ccnc(C(F)(F)F)n2)c1F ZINC001241290464 821707134 /nfs/dbraw/zinc/70/71/34/821707134.db2.gz NLOLQWYCZXRFFQ-UHFFFAOYSA-N -1 1 276.164 3.146 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc(OC3CCC3)cn2)c1F ZINC001241294238 821712164 /nfs/dbraw/zinc/71/21/64/821712164.db2.gz OBJIMEFOJQOOTA-UHFFFAOYSA-N -1 1 278.258 3.059 20 0 CGADMM COc1cc(OC)nc(-c2cc(C(F)(F)F)ccc2[O-])c1 ZINC001242131476 822888238 /nfs/dbraw/zinc/88/82/38/822888238.db2.gz KWOATODUXHWCHC-UHFFFAOYSA-N -1 1 299.248 3.490 20 0 CGADMM COCc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nn1 ZINC001242134048 822889547 /nfs/dbraw/zinc/88/95/47/822889547.db2.gz PUNIDPSFTZHRME-UHFFFAOYSA-N -1 1 284.237 3.014 20 0 CGADMM [O-]c1ccc(-c2ncnc3cccnc32)cc1C(F)(F)F ZINC001242148124 822893834 /nfs/dbraw/zinc/89/38/34/822893834.db2.gz OZLXFHVEIROEAK-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM COc1ncnc(-c2ccc([O-])c(C(F)(F)F)c2)c1C ZINC001242151714 822895723 /nfs/dbraw/zinc/89/57/23/822895723.db2.gz UUEQKVFTHPTRPX-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM Cc1c(F)cc(C(=O)[O-])cc1-c1cccc2nc[nH]c21 ZINC001242209778 822911300 /nfs/dbraw/zinc/91/13/00/822911300.db2.gz YCQDIEJVXGIAFH-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM Cc1nc2ccc(-c3cccc(CC(=O)[O-])c3)cc2[nH]1 ZINC001242263522 822930269 /nfs/dbraw/zinc/93/02/69/822930269.db2.gz GZRDKSCLFADUDA-UHFFFAOYSA-N -1 1 266.300 3.165 20 0 CGADMM Cc1cc2[nH]ncc2cc1-c1ccccc1C(=O)[O-] ZINC001242281487 822936470 /nfs/dbraw/zinc/93/64/70/822936470.db2.gz BAAGYWOATJJXJP-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM [O-]c1c(F)cccc1-c1cc(F)cc2nccnc21 ZINC001242351899 822962223 /nfs/dbraw/zinc/96/22/23/822962223.db2.gz AGFQLDBASOVJCB-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CN(C)C(=O)Cc1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001242365114 822968027 /nfs/dbraw/zinc/96/80/27/822968027.db2.gz WRLGTDVGVJNGEZ-UHFFFAOYSA-N -1 1 289.762 3.343 20 0 CGADMM CN1Cc2c(cccc2-c2cccc(Cl)c2[O-])C1=O ZINC001242364099 822968146 /nfs/dbraw/zinc/96/81/46/822968146.db2.gz BPUGPIWUNPUBEP-UHFFFAOYSA-N -1 1 273.719 3.298 20 0 CGADMM CNC(=O)c1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242364308 822968437 /nfs/dbraw/zinc/96/84/37/822968437.db2.gz GYXRVGXOARCMAQ-UHFFFAOYSA-N -1 1 261.708 3.072 20 0 CGADMM O=C1NCc2ccc(-c3cccc(Cl)c3[O-])cc2N1 ZINC001242368194 822970232 /nfs/dbraw/zinc/97/02/32/822970232.db2.gz YETDUJIJWOBLSM-UHFFFAOYSA-N -1 1 274.707 3.348 20 0 CGADMM CCc1ccc2nc(-c3cc(C)c(O)c(C)c3)[n-]c(=O)c2c1 ZINC001339511768 936375349 /nfs/dbraw/zinc/37/53/49/936375349.db2.gz INVBZJVIWWBWGK-UHFFFAOYSA-N -1 1 294.354 3.475 20 0 CGADMM Cc1ccc(Cl)cc1CNC(=O)c1ccc([O-])c(F)c1 ZINC001347214208 936874005 /nfs/dbraw/zinc/87/40/05/936874005.db2.gz DMJKVJPELZVKIA-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM CC(C)c1nsc([N-]C(=O)c2nc(C3CC3)cs2)n1 ZINC001347530597 936887081 /nfs/dbraw/zinc/88/70/81/936887081.db2.gz FBBJSMAKVQANRW-UHFFFAOYSA-N -1 1 294.405 3.248 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@H](C)CCO1 ZINC001353977819 937085262 /nfs/dbraw/zinc/08/52/62/937085262.db2.gz GGWMZEGPUAOHAS-CHWSQXEVSA-N -1 1 299.370 3.185 20 0 CGADMM COc1ccc([C@@H](C)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000234955646 928211531 /nfs/dbraw/zinc/21/15/31/928211531.db2.gz LXYVUXOJHPPRPY-SNVBAGLBSA-N -1 1 289.331 3.146 20 0 CGADMM CC(C)[C@H](C(=O)Nc1c[n-][nH]c1=O)c1cccc(Cl)c1 ZINC001364087080 937232439 /nfs/dbraw/zinc/23/24/39/937232439.db2.gz BQJYVJUSDIOGSH-LBPRGKRZSA-N -1 1 293.754 3.147 20 0 CGADMM CCC(=O)c1ccc(Oc2cc(Cl)nc(=O)[n-]2)cc1 ZINC001421037372 937246255 /nfs/dbraw/zinc/24/62/55/937246255.db2.gz FWNUTFODZMPDJX-UHFFFAOYSA-N -1 1 278.695 3.221 20 0 CGADMM Cc1ccc(C)c(NC(=O)c2cccc([O-])c2F)c1 ZINC001440522269 937330791 /nfs/dbraw/zinc/33/07/91/937330791.db2.gz ZWAIHDZRMRQRGL-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CN(C(=O)c1ccc(F)c([O-])c1)c1ccc(F)c(F)c1 ZINC001442254518 937341185 /nfs/dbraw/zinc/34/11/85/937341185.db2.gz ROJFDJATBUODBP-UHFFFAOYSA-N -1 1 281.233 3.086 20 0 CGADMM O=C(Cc1cccnc1Cl)Nc1ccc([O-])c(Cl)c1 ZINC001446467156 937363509 /nfs/dbraw/zinc/36/35/09/937363509.db2.gz IUFINUVXUSCDLR-UHFFFAOYSA-N -1 1 297.141 3.275 20 0 CGADMM Cc1csc([C@@H](C)C(=O)Nc2ccc([O-])c(F)c2F)n1 ZINC001449452363 937379607 /nfs/dbraw/zinc/37/96/07/937379607.db2.gz ZZUBTAKMJVZESH-ZETCQYMHSA-N -1 1 298.314 3.178 20 0 CGADMM CCc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1OC ZINC001449713876 937380821 /nfs/dbraw/zinc/38/08/21/937380821.db2.gz LBUNXFXSNOIENU-UHFFFAOYSA-N -1 1 289.306 3.355 20 0 CGADMM C[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])c1cccs1 ZINC001451743771 937392045 /nfs/dbraw/zinc/39/20/45/937392045.db2.gz OOIXZERUKQEXTC-SSDOTTSWSA-N -1 1 283.299 3.474 20 0 CGADMM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc(F)c([O-])c1 ZINC001450916311 937387335 /nfs/dbraw/zinc/38/73/35/937387335.db2.gz WODIOBDLHPKXRP-MEBBXXQBSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@H](NC(=O)c1cccc([O-])c1F)C1CCCCC1 ZINC001451998983 937393477 /nfs/dbraw/zinc/39/34/77/937393477.db2.gz NAHLPOIYFGEVGD-JTQLQIEISA-N -1 1 265.328 3.230 20 0 CGADMM Cc1cnc(C(=O)N2CCC(C)(C)CC(C)(C)C2)c([O-])c1 ZINC001453126536 937401354 /nfs/dbraw/zinc/40/13/54/937401354.db2.gz WZQLAGVEHDNGGV-UHFFFAOYSA-N -1 1 290.407 3.384 20 0 CGADMM CCC[C@@H](C(=O)[N-]Oc1ccccc1F)C(C)C ZINC001455482223 937418342 /nfs/dbraw/zinc/41/83/42/937418342.db2.gz PFNXJWZVZQAQGB-LLVKDONJSA-N -1 1 253.317 3.308 20 0 CGADMM CC[C@H](C)[C@@H](C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229135893 932102863 /nfs/dbraw/zinc/10/28/63/932102863.db2.gz RYUNHDCLECIOKM-VHSXEESVSA-N -1 1 262.305 3.312 20 0 CGADMM COc1cc2ccc(=O)oc2c(O[C@H]2CC[C@H](C)C2)c1[O-] ZINC001229218532 932118237 /nfs/dbraw/zinc/11/82/37/932118237.db2.gz NPOXKMJRPPTNRR-ONGXEEELSA-N -1 1 290.315 3.075 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccc(O)cc1O[C@@H]1C=CCC1 ZINC001229298706 932128696 /nfs/dbraw/zinc/12/86/96/932128696.db2.gz ZXSDKIQVKPJJIW-OAHLLOKOSA-N -1 1 296.322 3.426 20 0 CGADMM COC(C[C@H](C)Oc1cc([O-])c(Cl)cc1Cl)OC ZINC001229406000 932146315 /nfs/dbraw/zinc/14/63/15/932146315.db2.gz HDSFQJUBALFNFP-ZETCQYMHSA-N -1 1 295.162 3.475 20 0 CGADMM O=C(Cc1ccc(O)cc1)c1ccc([O-])cc1OC1CC1 ZINC001229427332 932149083 /nfs/dbraw/zinc/14/90/83/932149083.db2.gz LTLYYQSICBZCCY-UHFFFAOYSA-N -1 1 284.311 3.064 20 0 CGADMM CCC(=O)c1ccc([O-])cc1O[C@H](C)C(=O)OC(C)(C)C ZINC001229475611 932157882 /nfs/dbraw/zinc/15/78/82/932157882.db2.gz AXUGQTLHIGMDQB-SNVBAGLBSA-N -1 1 294.347 3.094 20 0 CGADMM O=C(N[C@@H]1CCC[C@@H](F)C1)c1c([O-])cccc1Cl ZINC001332483295 932748225 /nfs/dbraw/zinc/74/82/25/932748225.db2.gz DNFYXBDUWSAZHV-RKDXNWHRSA-N -1 1 271.719 3.056 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cc(C2CC2)no1 ZINC001304283086 932848341 /nfs/dbraw/zinc/84/83/41/932848341.db2.gz AODMXFPODWRACP-UHFFFAOYSA-N -1 1 296.685 3.302 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](c2ccccc2)C(C)C)c([O-])c1 ZINC001463884308 937682762 /nfs/dbraw/zinc/68/27/62/937682762.db2.gz GZQNZVSWJURMFU-OAHLLOKOSA-N -1 1 284.359 3.223 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC001465398189 937700558 /nfs/dbraw/zinc/70/05/58/937700558.db2.gz NQZIQDIVTAZQIB-AWEZNQCLSA-N -1 1 299.345 3.236 20 0 CGADMM C[C@H](C(=O)[N-]OCc1ccccc1)c1ccc(F)c(F)c1 ZINC001319144251 933832435 /nfs/dbraw/zinc/83/24/35/933832435.db2.gz APDYCUTUDHUUNO-NSHDSACASA-N -1 1 291.297 3.316 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1ncsc1C1CC1 ZINC001468003259 937723854 /nfs/dbraw/zinc/72/38/54/937723854.db2.gz HMUYMHUCMNEZIJ-UHFFFAOYSA-N -1 1 296.298 3.257 20 0 CGADMM Cc1sccc1CC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001469161557 937736022 /nfs/dbraw/zinc/73/60/22/937736022.db2.gz QTJBUKZJYWQCDO-UHFFFAOYSA-N -1 1 283.299 3.222 20 0 CGADMM Cc1cc(=O)[nH]c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC001469286901 937737651 /nfs/dbraw/zinc/73/76/51/937737651.db2.gz VCFATBOLVJILJY-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM CC1(C)CCC[C@H](CNC(=O)c2ccc(F)c([O-])c2)C1 ZINC001469045398 937734770 /nfs/dbraw/zinc/73/47/70/937734770.db2.gz HRMUOUYOSXSJDS-NSHDSACASA-N -1 1 279.355 3.478 20 0 CGADMM O=C(NCc1ccc2occc2c1)c1cccc([O-])c1F ZINC001469930107 937745844 /nfs/dbraw/zinc/74/58/44/937745844.db2.gz CGNKDMKZZSXMPQ-UHFFFAOYSA-N -1 1 285.274 3.208 20 0 CGADMM C[C@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1[O-] ZINC001471168487 937761968 /nfs/dbraw/zinc/76/19/68/937761968.db2.gz QEVLTCLUDWKXOA-LLVKDONJSA-N -1 1 273.307 3.349 20 0 CGADMM O=C(Nc1cscc1Cl)c1ccc(O)cc1[O-] ZINC001471683972 937768299 /nfs/dbraw/zinc/76/82/99/937768299.db2.gz USFGBFRKWZZGQZ-UHFFFAOYSA-N -1 1 269.709 3.065 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CC2CCC1CC2 ZINC001471700504 937768365 /nfs/dbraw/zinc/76/83/65/937768365.db2.gz XZIHZJMGHNDYNE-GDKBPFBDSA-N -1 1 293.794 3.488 20 0 CGADMM Cc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)ccc1O ZINC001472193083 937773672 /nfs/dbraw/zinc/77/36/72/937773672.db2.gz KETDWQJLKXLCIP-UHFFFAOYSA-N -1 1 295.697 3.451 20 0 CGADMM CCn1cc(Cl)cc1C(=O)Nc1ccc(F)cc1[O-] ZINC001472535370 937777255 /nfs/dbraw/zinc/77/72/55/937777255.db2.gz SPWDVJPWKKAGMH-UHFFFAOYSA-N -1 1 282.702 3.258 20 0 CGADMM Cc1cnc(Cl)c(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC001472546993 937777712 /nfs/dbraw/zinc/77/77/12/937777712.db2.gz VMKAOEQXDBKSJY-UHFFFAOYSA-N -1 1 298.129 3.050 20 0 CGADMM Cc1ccccc1C(F)(F)C(=O)[N-][C@H](C)C(F)(F)F ZINC001329151379 935190975 /nfs/dbraw/zinc/19/09/75/935190975.db2.gz JHDOOPRZXBTJLG-MRVPVSSYSA-N -1 1 281.224 3.154 20 0 CGADMM O=C(NCC[C@H]1CCC(F)(F)C1)c1ccc([O-])c(F)c1 ZINC001335361366 936141720 /nfs/dbraw/zinc/14/17/20/936141720.db2.gz IVCRSMXSIGDLDO-SECBINFHSA-N -1 1 287.281 3.087 20 0 CGADMM C[C@@H]1CCC(F)(F)CN1C(=O)c1c([O-])cccc1Cl ZINC001337506894 936265750 /nfs/dbraw/zinc/26/57/50/936265750.db2.gz PROMZZXNPVOJLS-MRVPVSSYSA-N -1 1 289.709 3.305 20 0 CGADMM O=C([N-]c1ccc(F)cc1F)c1ocnc1C(F)F ZINC001524319754 938043394 /nfs/dbraw/zinc/04/33/94/938043394.db2.gz QHQVXQLJXHLDHV-UHFFFAOYSA-N -1 1 274.173 3.143 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cccc(O)c2)c1 ZINC001540390621 938130905 /nfs/dbraw/zinc/13/09/05/938130905.db2.gz OCVFCZJEXDXHNK-UHFFFAOYSA-N -1 1 275.329 3.072 20 0 CGADMM CCN(Cc1ccccc1F)C(=O)c1ccc([O-])cc1F ZINC001543541212 938140252 /nfs/dbraw/zinc/14/02/52/938140252.db2.gz PWQHOBAPWLKUMO-UHFFFAOYSA-N -1 1 291.297 3.333 20 0 CGADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1cccc([O-])c1F ZINC001543759638 938141551 /nfs/dbraw/zinc/14/15/51/938141551.db2.gz VALOGESWYRXXGC-ZDUSSCGKSA-N -1 1 289.281 3.088 20 0 CGADMM CC1(C)CC[C@H](NC(=O)c2ncccc2[O-])c2ccccc21 ZINC001544257810 938144185 /nfs/dbraw/zinc/14/41/85/938144185.db2.gz NGLVPVAUWXOJLG-AWEZNQCLSA-N -1 1 296.370 3.330 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1F)c1ccc(F)c([O-])c1 ZINC001544971077 938148148 /nfs/dbraw/zinc/14/81/48/938148148.db2.gz WVYFVNHOGJCZCU-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H]1C1CCCCC1 ZINC001551752062 938185368 /nfs/dbraw/zinc/18/53/68/938185368.db2.gz SZMCLOQQZZQFDU-LBPRGKRZSA-N -1 1 295.329 3.465 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ccn3ccnc3c2)c1 ZINC001556482132 938204137 /nfs/dbraw/zinc/20/41/37/938204137.db2.gz QRHSFEWLZILIKP-UHFFFAOYSA-N -1 1 299.355 3.014 20 0 CGADMM Cc1ncccc1/C=C/C(=O)Nc1cc([O-])c(F)cc1F ZINC001556919870 938206573 /nfs/dbraw/zinc/20/65/73/938206573.db2.gz UMKIOPFWXHGMBS-SNAWJCMRSA-N -1 1 290.269 3.026 20 0 CGADMM Cc1cnc(C(=O)N[C@H](C)[C@H]2CC3CCC2CC3)c([O-])c1 ZINC001557324072 938209379 /nfs/dbraw/zinc/20/93/79/938209379.db2.gz JHBNFNLJXPLDKV-BLYZHGLHSA-N -1 1 288.391 3.040 20 0 CGADMM Cc1cc(C)c(C(=O)Nc2cccc(F)c2[O-])s1 ZINC001557956276 938212594 /nfs/dbraw/zinc/21/25/94/938212594.db2.gz LDGPTVRRCXTMLE-UHFFFAOYSA-N -1 1 265.309 3.462 20 0 CGADMM C[C@H](C(=O)Nc1cccc(F)c1[O-])c1ccsc1 ZINC001557957156 938212650 /nfs/dbraw/zinc/21/26/50/938212650.db2.gz SQBYSBPFFPQOLX-QMMMGPOBSA-N -1 1 265.309 3.335 20 0 CGADMM C[C@H]1CCCC[C@H]1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001558209594 938214232 /nfs/dbraw/zinc/21/42/32/938214232.db2.gz VQZLCGICIZBZLW-CMPLNLGQSA-N -1 1 281.783 3.488 20 0 CGADMM CCc1nn(C)cc1[N-]c1nc2cccc(F)c2o1 ZINC001559154672 938221351 /nfs/dbraw/zinc/22/13/51/938221351.db2.gz LCKFJXQBTQIXLA-UHFFFAOYSA-N -1 1 260.272 3.006 20 0 CGADMM O=C([O-])CCN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC001602014095 971122336 /nfs/dbraw/zinc/12/23/36/971122336.db2.gz XISLVMNAPRUHHM-OAHLLOKOSA-N -1 1 299.374 3.078 20 0 CGADMM O=C([O-])CC[C@@H]1CCCCN1C/C(Cl)=C/Cl ZINC000086000695 949054509 /nfs/dbraw/zinc/05/45/09/949054509.db2.gz NXSOYFWDTHZANA-RNKPRXRFSA-N -1 1 266.168 3.025 20 0 CGADMM C[C@H](NCc1ccsc1C(=O)[O-])c1cccc(O)c1 ZINC000383907336 971902571 /nfs/dbraw/zinc/90/25/71/971902571.db2.gz DREYPGBNIMMWJC-VIFPVBQESA-N -1 1 277.345 3.003 20 0 CGADMM Cc1ccc(F)c(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594364628 958479929 /nfs/dbraw/zinc/47/99/29/958479929.db2.gz RUJFEHYSYMGULT-OAHLLOKOSA-N -1 1 291.297 3.189 20 0 CGADMM C[C@H](NCc1ccoc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000235519948 960451477 /nfs/dbraw/zinc/45/14/77/960451477.db2.gz SRQOOABPXDMUJG-VIFPVBQESA-N -1 1 279.723 3.482 20 0 CGADMM COc1cccc(NC(=O)c2ccc([O-])cc2F)c1C ZINC001584566069 962935079 /nfs/dbraw/zinc/93/50/79/962935079.db2.gz GWNZENWSJBLPNI-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM Cc1conc1[N-]C(=O)c1c(F)ccc(F)c1Cl ZINC001586976438 963160624 /nfs/dbraw/zinc/16/06/24/963160624.db2.gz PWYMQOKVAIWKNO-UHFFFAOYSA-N -1 1 272.638 3.167 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccc(C(F)F)o1 ZINC001587393083 963191151 /nfs/dbraw/zinc/19/11/51/963191151.db2.gz AIBTUYWFBLJIBZ-UHFFFAOYSA-N -1 1 271.194 3.314 20 0 CGADMM CC(C)C[C@H](C)CSCc1nc(-c2nnn[n-]2)cs1 ZINC001589549909 963999604 /nfs/dbraw/zinc/99/96/04/963999604.db2.gz LIWTYOSBNUKXQN-VIFPVBQESA-N -1 1 297.453 3.239 20 0 CGADMM CC(C)C[C@H](C)CSCc1nc(-c2nn[n-]n2)cs1 ZINC001589549909 963999613 /nfs/dbraw/zinc/99/96/13/963999613.db2.gz LIWTYOSBNUKXQN-VIFPVBQESA-N -1 1 297.453 3.239 20 0 CGADMM CC(C)CN(Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001589626155 964004232 /nfs/dbraw/zinc/00/42/32/964004232.db2.gz NZOCUHQAAPONPO-UHFFFAOYSA-N -1 1 297.362 3.122 20 0 CGADMM CC(C)CN(Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001589626155 964004240 /nfs/dbraw/zinc/00/42/40/964004240.db2.gz NZOCUHQAAPONPO-UHFFFAOYSA-N -1 1 297.362 3.122 20 0 CGADMM Cc1sc(C(=O)[O-])cc1CN(C)[C@@H](C)c1ccncc1 ZINC000394954638 972768150 /nfs/dbraw/zinc/76/81/50/972768150.db2.gz MGYXBQTXXZEJMN-JTQLQIEISA-N -1 1 290.388 3.343 20 0 CGADMM CC[C@H](NCc1occc1C(=O)[O-])c1ccccc1OC ZINC001595305665 980450154 /nfs/dbraw/zinc/45/01/54/980450154.db2.gz LQCBJDVCHHJCEX-ZDUSSCGKSA-N -1 1 289.331 3.227 20 0 CGADMM CCN(CCSC)Cc1cccc(C(=O)[O-])c1Cl ZINC001596347940 983801004 /nfs/dbraw/zinc/80/10/04/983801004.db2.gz VVTCJJCDXOKBKN-UHFFFAOYSA-N -1 1 287.812 3.223 20 0 CGADMM Cc1[nH]c(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC001599961416 985788226 /nfs/dbraw/zinc/78/82/26/985788226.db2.gz FQDZIEMOTIHUFR-HZUKXOBISA-N -1 1 290.407 3.422 20 0 CGADMM C[C@@H](N[C@@H](C)c1nc(C(=O)[O-])co1)[C@H](C)c1ccccc1 ZINC001593195733 994149021 /nfs/dbraw/zinc/14/90/21/994149021.db2.gz FBXFAPNAXHFUHW-TUAOUCFPSA-N -1 1 288.347 3.216 20 0 CGADMM C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1cc(C(=O)[O-])co1 ZINC001593230499 994363242 /nfs/dbraw/zinc/36/32/42/994363242.db2.gz DISOXIFLUHMWIX-YMTOWFKASA-N -1 1 289.306 3.455 20 0 CGADMM CC(C)n1cc([C@@H](C)NCc2csc(C(=O)[O-])c2)cn1 ZINC001593311049 994777111 /nfs/dbraw/zinc/77/71/11/994777111.db2.gz AYIJAEJAXODEHC-SNVBAGLBSA-N -1 1 293.392 3.075 20 0 CGADMM C[C@@H](N[C@@H](C)C1CCCCCC1)c1nc(C(=O)[O-])co1 ZINC001593353207 994975640 /nfs/dbraw/zinc/97/56/40/994975640.db2.gz PVNPOAQLDBMYGE-WDEREUQCSA-N -1 1 280.368 3.382 20 0 CGADMM C[C@H](c1ccc(F)nc1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001593698251 996162678 /nfs/dbraw/zinc/16/26/78/996162678.db2.gz VBJVQEZCMUFQLF-LLVKDONJSA-N -1 1 288.322 3.112 20 0 CGADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](C)C(C)(C)C1 ZINC001593732180 996309248 /nfs/dbraw/zinc/30/92/48/996309248.db2.gz PIRVYWMLYDROPK-ZJUUUORDSA-N -1 1 282.409 3.270 20 0 CGADMM CC1(C)Nc2ccccc2[C@@H]1NCc1ccc(C(=O)[O-])o1 ZINC001593971521 997138728 /nfs/dbraw/zinc/13/87/28/997138728.db2.gz AFZWFSMQFLZTSA-AWEZNQCLSA-N -1 1 286.331 3.013 20 0 CGADMM COc1ccc([C@@H](C)N[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001599510646 997292461 /nfs/dbraw/zinc/29/24/61/997292461.db2.gz SMCVURNWVIALBF-GHMZBOCLSA-N -1 1 289.331 3.398 20 0 CGADMM C[C@@H]1C[C@H](N[C@H](CCC(=O)[O-])c2ccccc2)c2nccn21 ZINC001594261754 999012103 /nfs/dbraw/zinc/01/21/03/999012103.db2.gz QMBRBLHRADLKCO-YUELXQCFSA-N -1 1 299.374 3.085 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CC2CC1(c1ccccc1)C2 ZINC000621011020 349443034 /nfs/dbraw/zinc/44/30/34/349443034.db2.gz ACOQVVSGJJUEPI-UHFFFAOYSA-N -1 1 297.329 3.293 20 0 CGADMM C[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2[O-])CC1 ZINC000651586919 398256203 /nfs/dbraw/zinc/25/62/03/398256203.db2.gz SLWNKGVYIJYVDO-MGCOHNPYSA-N -1 1 251.301 3.296 20 0 CGADMM CCc1ccc(C(=O)Nc2cc(C)cc(C)n2)c([O-])c1 ZINC000622455276 349679977 /nfs/dbraw/zinc/67/99/77/349679977.db2.gz LXSHFUXNVMJEEW-UHFFFAOYSA-N -1 1 270.332 3.219 20 0 CGADMM Cc1csc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000622467431 349681635 /nfs/dbraw/zinc/68/16/35/349681635.db2.gz SUUYWOSAAGTHPI-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM O=C(NC1(C2CCC2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000622741535 349698747 /nfs/dbraw/zinc/69/87/47/349698747.db2.gz HOTXDZKYQFYTSN-UHFFFAOYSA-N -1 1 299.292 3.474 20 0 CGADMM CC[C@H](NC(=O)c1ncc(C)cc1[O-])c1cccs1 ZINC000358595556 529580454 /nfs/dbraw/zinc/58/04/54/529580454.db2.gz CWOWBGZTYCALFV-JTQLQIEISA-N -1 1 276.361 3.038 20 0 CGADMM CCc1ccc(C(=O)Nc2nc(C)c(C)s2)c([O-])c1 ZINC000436814635 529611148 /nfs/dbraw/zinc/61/11/48/529611148.db2.gz INDBREWWKWAGIB-UHFFFAOYSA-N -1 1 276.361 3.280 20 0 CGADMM CC1CC(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000623040101 349754098 /nfs/dbraw/zinc/75/40/98/349754098.db2.gz JFCHXFMDNJTHIH-UHFFFAOYSA-N -1 1 287.281 3.187 20 0 CGADMM CCc1ccc(CC)c(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000439050474 529625034 /nfs/dbraw/zinc/62/50/34/529625034.db2.gz CAYBLQPHILLYAJ-UHFFFAOYSA-N -1 1 285.343 3.475 20 0 CGADMM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(C)(C)C ZINC000591820046 346939251 /nfs/dbraw/zinc/93/92/51/346939251.db2.gz MAVHCQNFNFJSPE-GFCCVEGCSA-N -1 1 291.363 3.068 20 0 CGADMM CCc1nc(CNCc2cc(C)cc(C)c2)ccc1C(=O)[O-] ZINC000426651570 529739889 /nfs/dbraw/zinc/73/98/89/529739889.db2.gz MXZDJVBWCVBDMK-UHFFFAOYSA-N -1 1 298.386 3.249 20 0 CGADMM O=C([N-]c1cnoc1)c1cnc(-c2ccccc2)s1 ZINC000623940064 349922485 /nfs/dbraw/zinc/92/24/85/349922485.db2.gz PGMJQGKGEKZYME-UHFFFAOYSA-N -1 1 271.301 3.050 20 0 CGADMM O=C([O-])[C@H]1CC12CCN(Cc1c(F)cccc1Cl)CC2 ZINC000049903398 345076250 /nfs/dbraw/zinc/07/62/50/345076250.db2.gz ZVFODXPITARTPJ-LLVKDONJSA-N -1 1 297.757 3.166 20 0 CGADMM CC(C)(C)c1ccc(C[N-]C(=O)C(F)(F)F)cc1 ZINC000068572335 345356034 /nfs/dbraw/zinc/35/60/34/345356034.db2.gz IFZGJBLIQXPBJO-UHFFFAOYSA-N -1 1 259.271 3.163 20 0 CGADMM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000150750760 232203785 /nfs/dbraw/zinc/20/37/85/232203785.db2.gz QCUKFHFWXNNRFG-UHFFFAOYSA-N -1 1 285.727 3.280 20 0 CGADMM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084938723 345743632 /nfs/dbraw/zinc/74/36/32/345743632.db2.gz QQNKROAXVYBCSK-LLVKDONJSA-N -1 1 281.377 3.003 20 0 CGADMM O=C([O-])c1sccc1CN1CCC(C(F)(F)F)CC1 ZINC000088422830 345760785 /nfs/dbraw/zinc/76/07/85/345760785.db2.gz GURIWNGOCAAWLM-UHFFFAOYSA-N -1 1 293.310 3.221 20 0 CGADMM C[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000132756974 346073870 /nfs/dbraw/zinc/07/38/70/346073870.db2.gz OSHQMAZABPRNKG-NSHDSACASA-N -1 1 269.344 3.321 20 0 CGADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000171013886 346201110 /nfs/dbraw/zinc/20/11/10/346201110.db2.gz UJYXXUNSDQMBSI-LBPRGKRZSA-N -1 1 291.372 3.195 20 0 CGADMM [O-]c1cccc(CNc2cccc3c2OCCO3)c1Cl ZINC000339200651 215007653 /nfs/dbraw/zinc/00/76/53/215007653.db2.gz VLNHHGNLOGSFFU-UHFFFAOYSA-N -1 1 291.734 3.429 20 0 CGADMM O=C(NCCCC1CCCC1)c1cc(F)ccc1[O-] ZINC000225337567 346303830 /nfs/dbraw/zinc/30/38/30/346303830.db2.gz OIRSAZVRYJAYKN-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM C[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229303310 346316930 /nfs/dbraw/zinc/31/69/30/346316930.db2.gz UQMWFEBHXDKVIK-NOZJJQNGSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1csc2[nH]c(-c3ccc([O-])cc3Cl)nc(=O)c12 ZINC000190097138 232477893 /nfs/dbraw/zinc/47/78/93/232477893.db2.gz IWBNHNVSDIGDSD-UHFFFAOYSA-N -1 1 292.747 3.319 20 0 CGADMM CC1(C)CCC[C@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC000389147125 346572502 /nfs/dbraw/zinc/57/25/02/346572502.db2.gz QOASQOVJZLTVKM-JTQLQIEISA-N -1 1 265.328 3.087 20 0 CGADMM Cc1ccc(CN(C)Cc2occc2C(=O)[O-])cc1C ZINC000584731843 346710903 /nfs/dbraw/zinc/71/09/03/346710903.db2.gz TXCXEVGKFIHTRJ-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM [O-]c1cccc(CNc2ccn(-c3ccccc3)n2)c1Cl ZINC000339297789 215076895 /nfs/dbraw/zinc/07/68/95/215076895.db2.gz ZZTCRIFAHLVGFX-UHFFFAOYSA-N -1 1 299.761 3.265 20 0 CGADMM C[C@H](C(=O)Nc1c([O-])cccc1F)c1cccs1 ZINC000608366881 348301507 /nfs/dbraw/zinc/30/15/07/348301507.db2.gz ARIUVMVYSXAAEB-QMMMGPOBSA-N -1 1 265.309 3.335 20 0 CGADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)ccc1F ZINC000608366864 348301625 /nfs/dbraw/zinc/30/16/25/348301625.db2.gz PBCFLPSZLCVWSE-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM COc1ccc(C)cc1CC(=O)Nc1c([O-])cccc1F ZINC000608367584 348302132 /nfs/dbraw/zinc/30/21/32/348302132.db2.gz YHLXXGRJPUFHKP-UHFFFAOYSA-N -1 1 289.306 3.030 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCCCc1cccs1 ZINC000615225467 348725335 /nfs/dbraw/zinc/72/53/35/348725335.db2.gz CAINBVMDRYIUPI-UHFFFAOYSA-N -1 1 293.392 3.227 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H]1C(F)(F)F ZINC000615033731 348709818 /nfs/dbraw/zinc/70/98/18/348709818.db2.gz QKVAWOPEEGPSSC-ZDUSSCGKSA-N -1 1 295.260 3.322 20 0 CGADMM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000617179226 348926322 /nfs/dbraw/zinc/92/63/22/348926322.db2.gz ZVKIAMQYABTKEM-AWEZNQCLSA-N -1 1 296.370 3.381 20 0 CGADMM CC[C@@H](C)CCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000617633470 348989554 /nfs/dbraw/zinc/98/95/54/348989554.db2.gz CCUDJOAJVCGCPU-SECBINFHSA-N -1 1 285.771 3.220 20 0 CGADMM C[C@H]1C[C@H](CNC(=O)c2c(F)ccc([O-])c2F)C[C@@H](C)C1 ZINC000617668919 349000245 /nfs/dbraw/zinc/00/02/45/349000245.db2.gz ZHHAMSTZDDEHGI-URLYPYJESA-N -1 1 297.345 3.473 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H](C2CCC2)C1 ZINC000620206355 349338926 /nfs/dbraw/zinc/33/89/26/349338926.db2.gz MLDJTVRHNQQCPV-LBPRGKRZSA-N -1 1 277.339 3.184 20 0 CGADMM CCCc1cc(=O)[n-]c(SCc2ncccc2Cl)n1 ZINC000629089593 350649385 /nfs/dbraw/zinc/64/93/85/350649385.db2.gz JSVOTQVXWYMNBN-UHFFFAOYSA-N -1 1 295.795 3.475 20 0 CGADMM O=C([O-])c1ccc(CN2CCCC(F)(F)CC2)c(F)c1 ZINC000629368648 350680760 /nfs/dbraw/zinc/68/07/60/350680760.db2.gz QDBWSZRZPIKMTE-UHFFFAOYSA-N -1 1 287.281 3.145 20 0 CGADMM CCC(C)(C)CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629376108 350683666 /nfs/dbraw/zinc/68/36/66/350683666.db2.gz RQXAJVWYZIXSHB-UHFFFAOYSA-N -1 1 287.363 3.343 20 0 CGADMM CC[C@H]1CCCCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630394031 350832324 /nfs/dbraw/zinc/83/23/24/350832324.db2.gz PWTWOOYWTNVLEK-LBPRGKRZSA-N -1 1 281.783 3.379 20 0 CGADMM Cc1nc(SCCc2cncs2)[n-]c(=O)c1C1CC1 ZINC000631023183 350926925 /nfs/dbraw/zinc/92/69/25/350926925.db2.gz KLLSOEKIKONVCF-UHFFFAOYSA-N -1 1 293.417 3.159 20 0 CGADMM CC(C)c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000632005929 351156579 /nfs/dbraw/zinc/15/65/79/351156579.db2.gz JNZFZRKRNMETQB-UHFFFAOYSA-N -1 1 252.701 3.143 20 0 CGADMM CC(C)(C)c1nc[nH]c1C(=O)Nc1cccc(Cl)c1[O-] ZINC000632143299 351171970 /nfs/dbraw/zinc/17/19/70/351171970.db2.gz SCSYTYTWJUJXDY-UHFFFAOYSA-N -1 1 293.754 3.319 20 0 CGADMM C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C[C@H]1C ZINC000632229251 351181321 /nfs/dbraw/zinc/18/13/21/351181321.db2.gz XKWXVFFSAWOFLO-GHMZBOCLSA-N -1 1 281.783 3.093 20 0 CGADMM CCC(C)(C)CCNC(=O)c1c(F)ccc([O-])c1F ZINC000633968498 351409900 /nfs/dbraw/zinc/40/99/00/351409900.db2.gz LWYQWHRAMZEJRA-UHFFFAOYSA-N -1 1 271.307 3.227 20 0 CGADMM C[C@@H](CC1CCC1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000634371859 351484090 /nfs/dbraw/zinc/48/40/90/351484090.db2.gz BEUDZQQHOBEIGR-JTQLQIEISA-N -1 1 281.783 3.283 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(F)c(Cl)c3)c(=O)c21 ZINC000634596762 351533678 /nfs/dbraw/zinc/53/36/78/351533678.db2.gz QDMDXHFEBRDDEM-MADCSZMMSA-N -1 1 266.703 3.228 20 0 CGADMM CCc1c(=O)n(-c2ccc(C)cn2)[n-]c1-c1cccc(C)c1 ZINC000634598793 351535611 /nfs/dbraw/zinc/53/56/11/351535611.db2.gz SHVLOXXALIYANS-OAHLLOKOSA-N -1 1 293.370 3.476 20 0 CGADMM CCCc1[n-]n(Cc2ccccc2F)c(=O)c1CC ZINC000634607849 351540226 /nfs/dbraw/zinc/54/02/26/351540226.db2.gz JTQRBCPUPFDXMC-LBPRGKRZSA-N -1 1 262.328 3.350 20 0 CGADMM CCc1[n-]n(-c2nc3ccncc3s2)c(=O)c1C(C)C ZINC000634630636 351552593 /nfs/dbraw/zinc/55/25/93/351552593.db2.gz BCLKMQFLYJZLPU-GFCCVEGCSA-N -1 1 288.376 3.076 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccccc3OC(F)(F)F)c(=O)c21 ZINC000634614376 351543264 /nfs/dbraw/zinc/54/32/64/351543264.db2.gz AYVKVVIIICNCPQ-PELKAZGASA-N -1 1 298.264 3.334 20 0 CGADMM CCCCc1cc(=O)n(-c2cc(F)c(F)c(F)c2)[n-]1 ZINC000634614173 351543305 /nfs/dbraw/zinc/54/33/05/351543305.db2.gz URVBYABVYLAQGN-UHFFFAOYSA-N -1 1 270.254 3.387 20 0 CGADMM O=C([O-])CN1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000635019824 351632979 /nfs/dbraw/zinc/63/29/79/351632979.db2.gz YXCXSXNZVNKETF-LLVKDONJSA-N -1 1 291.244 3.066 20 0 CGADMM C[C@@H](CN(C)C(=O)c1ccc([O-])c(F)c1)C(C)(C)C ZINC000636430937 351757062 /nfs/dbraw/zinc/75/70/62/351757062.db2.gz OFUMVSLMXZVMHN-JTQLQIEISA-N -1 1 267.344 3.286 20 0 CGADMM O=C(Nc1ccc(Cl)cc1O)c1c(F)ccc([O-])c1F ZINC000336479848 213351874 /nfs/dbraw/zinc/35/18/74/213351874.db2.gz GVGCCOVCGHVSOW-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM CCC(CC)N(CC)C(=O)c1ccc([O-])cc1F ZINC000292048218 198145057 /nfs/dbraw/zinc/14/50/57/198145057.db2.gz FUFNVNPRNNYKRG-UHFFFAOYSA-N -1 1 253.317 3.182 20 0 CGADMM C[C@H]1CC[C@]2(CCN(C(=O)c3cc(F)ccc3[O-])C2)C1 ZINC000368079089 234278405 /nfs/dbraw/zinc/27/84/05/234278405.db2.gz NIKMLVVMUGWGCH-ZBEGNZNMSA-N -1 1 277.339 3.184 20 0 CGADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])C1CCOCC1 ZINC000152310029 188009018 /nfs/dbraw/zinc/00/90/18/188009018.db2.gz KBJHAQRIZTVULO-GFCCVEGCSA-N -1 1 299.370 3.090 20 0 CGADMM Cc1cc(O)c(C(C)C)cc1NC(=O)c1cncc([O-])c1 ZINC000153534606 188088317 /nfs/dbraw/zinc/08/83/17/188088317.db2.gz GRMYDNDFGZXOQH-UHFFFAOYSA-N -1 1 286.331 3.177 20 0 CGADMM O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1c(F)ccc([O-])c1F ZINC000412456054 235170126 /nfs/dbraw/zinc/17/01/26/235170126.db2.gz ARTAWYWKOKCOPN-GHMZBOCLSA-N -1 1 295.329 3.227 20 0 CGADMM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cn[nH]c1C1CC1 ZINC000336296579 213137691 /nfs/dbraw/zinc/13/76/91/213137691.db2.gz DPRWBZQZLFXFCO-UHFFFAOYSA-N -1 1 295.701 3.038 20 0 CGADMM C[C@H]1C[C@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000162939907 291117848 /nfs/dbraw/zinc/11/78/48/291117848.db2.gz XIEKLIWJCHJLBZ-IUCAKERBSA-N -1 1 298.180 3.025 20 0 CGADMM Cc1cc(C)c(CNCc2cc(C(=O)[O-])co2)c(C)c1 ZINC000426713126 236306943 /nfs/dbraw/zinc/30/69/43/236306943.db2.gz BPQCUEPLLPURFH-UHFFFAOYSA-N -1 1 273.332 3.193 20 0 CGADMM O=C([O-])[C@H](NCc1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000426762452 236312162 /nfs/dbraw/zinc/31/21/62/236312162.db2.gz KIJDIXDGHBJEKO-CQSZACIVSA-N -1 1 295.260 3.019 20 0 CGADMM COc1ccnc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436563751 237130735 /nfs/dbraw/zinc/13/07/35/237130735.db2.gz 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/nfs/dbraw/zinc/25/69/48/212256948.db2.gz YKDOCFUDWTTZQY-SNVBAGLBSA-N -1 1 261.655 3.029 20 0 CGADMM CN(Cc1ccccc1F)C(=O)c1c(F)ccc([O-])c1F ZINC000343079756 216651821 /nfs/dbraw/zinc/65/18/21/216651821.db2.gz RBGCJIPKQISEPX-UHFFFAOYSA-N -1 1 295.260 3.082 20 0 CGADMM CC[C@@H](C)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000037023571 369052960 /nfs/dbraw/zinc/05/29/60/369052960.db2.gz LZWYUNGUJIXOBR-LLVKDONJSA-N -1 1 257.333 3.416 20 0 CGADMM CC(C)(C)n1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000129537262 370991866 /nfs/dbraw/zinc/99/18/66/370991866.db2.gz AIVVBXGLPNYFIP-UHFFFAOYSA-N -1 1 293.754 3.249 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](Cc2ccccc2)C1 ZINC000080030289 369981833 /nfs/dbraw/zinc/98/18/33/369981833.db2.gz DTOCXRIPPDOLOT-AWEZNQCLSA-N -1 1 299.345 3.236 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC2(CC2)c2ccccc21 ZINC000080029828 369981947 /nfs/dbraw/zinc/98/19/47/369981947.db2.gz NVCXRLNDILZXMI-UHFFFAOYSA-N -1 1 283.302 3.223 20 0 CGADMM CN(CC1CCCCC1)C(=O)c1cc(F)ccc1[O-] ZINC000080001721 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/nfs/dbraw/zinc/55/16/31/380551631.db2.gz XJELUGDGKDNIJQ-UHFFFAOYSA-N -1 1 290.335 3.029 20 0 CGADMM Cc1nc(C(C)C)oc1C(=O)Nc1c([O-])cccc1F ZINC000645926971 380780673 /nfs/dbraw/zinc/78/06/73/380780673.db2.gz ZAPZVAOPTVLZNK-UHFFFAOYSA-N -1 1 278.283 3.203 20 0 CGADMM CCCc1nc(C)c(C(=O)Nc2c([O-])cccc2F)o1 ZINC000645926930 380781250 /nfs/dbraw/zinc/78/12/50/380781250.db2.gz UAGWLQLEGDSEOY-UHFFFAOYSA-N -1 1 278.283 3.033 20 0 CGADMM COc1cnc(NC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000646099593 380833883 /nfs/dbraw/zinc/83/38/83/380833883.db2.gz QUHAWWLEVJWTCH-UHFFFAOYSA-N -1 1 292.360 3.233 20 0 CGADMM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cncc([O-])c3)C2)cc1 ZINC000279262703 194357535 /nfs/dbraw/zinc/35/75/35/194357535.db2.gz MLAKMRIPWYQTGF-XJKSGUPXSA-N -1 1 296.370 3.114 20 0 CGADMM C[C@H](CCc1ccco1)NC(=O)c1c(F)ccc([O-])c1F ZINC000289088086 197230960 /nfs/dbraw/zinc/23/09/60/197230960.db2.gz LBOAZQXWJOHGCP-SECBINFHSA-N -1 1 295.285 3.015 20 0 CGADMM O=C(c1ccccc1[O-])N1CC2(CCC2)c2ccccc21 ZINC000368995146 382383850 /nfs/dbraw/zinc/38/38/50/382383850.db2.gz QXYRQMQHXFRUGA-UHFFFAOYSA-N -1 1 279.339 3.474 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCCc2occc2C1 ZINC000289059726 197224105 /nfs/dbraw/zinc/22/41/05/197224105.db2.gz GFXQYVRRESZKAR-UHFFFAOYSA-N -1 1 291.734 3.227 20 0 CGADMM CC(C)(C)CCC[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000312151367 542432973 /nfs/dbraw/zinc/43/29/73/542432973.db2.gz AZEPMNAYOYIWBG-HNNXBMFYSA-N -1 1 275.392 3.497 20 0 CGADMM Cc1cc(C)nc(-c2nc3cccc(C)c3c(=O)[n-]2)c1 ZINC000357069987 542574322 /nfs/dbraw/zinc/57/43/22/542574322.db2.gz URZYIFJXEIGAQP-UHFFFAOYSA-N -1 1 265.316 3.323 20 0 CGADMM COc1cc(C(=O)Nc2cccc(C)n2)cc(Cl)c1[O-] ZINC000359051835 533558898 /nfs/dbraw/zinc/55/88/98/533558898.db2.gz NJZHVJWAOBIRIN-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM C[C@H](F)CCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000505533760 392671027 /nfs/dbraw/zinc/67/10/27/392671027.db2.gz SKNXGUJVNKODMO-YFKPBYRVSA-N -1 1 270.251 3.041 20 0 CGADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)C1CCC1 ZINC000457678335 392729858 /nfs/dbraw/zinc/72/98/58/392729858.db2.gz ZOEYJGWXAKGKSN-MRVPVSSYSA-N -1 1 253.729 3.420 20 0 CGADMM CC[C@@H](C)[C@H](C(=O)Nc1c(C)[n-][nH]c1=O)c1ccccc1 ZINC000647816812 392808866 /nfs/dbraw/zinc/80/88/66/392808866.db2.gz WLYHGFUTSYXFQY-MFKMUULPSA-N -1 1 287.363 3.192 20 0 CGADMM CCOC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000194578641 392930555 /nfs/dbraw/zinc/93/05/55/392930555.db2.gz FSBQYRXBYCUMBO-UHFFFAOYSA-N -1 1 299.370 3.187 20 0 CGADMM CCc1cc(=O)[n-]c(SCCCSCC(C)C)n1 ZINC000195066269 392953949 /nfs/dbraw/zinc/95/39/49/392953949.db2.gz XWKWUUQMRLKCND-UHFFFAOYSA-N -1 1 286.466 3.204 20 0 CGADMM CC[C@@H](C)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000221030848 393003940 /nfs/dbraw/zinc/00/39/40/393003940.db2.gz GNNVODSKEVNYHZ-MRVPVSSYSA-N -1 1 286.169 3.025 20 0 CGADMM CC[C@@H](NC(=O)c1c(F)ccc([O-])c1F)[C@@H]1CC1(C)C ZINC000416273201 393287991 /nfs/dbraw/zinc/28/79/91/393287991.db2.gz FJXMMJLFVDCVAA-WCBMZHEXSA-N -1 1 283.318 3.225 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC000278305702 393317187 /nfs/dbraw/zinc/31/71/87/393317187.db2.gz JQXVRYQQGQSQPP-HNNXBMFYSA-N -1 1 297.354 3.498 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1F ZINC000443463923 393758158 /nfs/dbraw/zinc/75/81/58/393758158.db2.gz KLIWUNVLPVZTGL-UHFFFAOYSA-N -1 1 297.326 3.328 20 0 CGADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(C)o1 ZINC000445476414 393798703 /nfs/dbraw/zinc/79/87/03/393798703.db2.gz CDRGKFCJTFOQBT-UHFFFAOYSA-N -1 1 274.251 3.458 20 0 CGADMM CCC(C)(C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445480208 393798991 /nfs/dbraw/zinc/79/89/91/393798991.db2.gz LODQWDLORJUXNX-UHFFFAOYSA-N -1 1 250.273 3.269 20 0 CGADMM [O-]c1ccc(-c2noc(CCc3ccccc3)n2)cc1F ZINC000445486126 393799764 /nfs/dbraw/zinc/79/97/64/393799764.db2.gz IQUKTFLSWCWTPW-UHFFFAOYSA-N -1 1 284.290 3.367 20 0 CGADMM CC(=O)c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445484570 393799968 /nfs/dbraw/zinc/79/99/68/393799968.db2.gz ZZESRTSLUUFJGY-UHFFFAOYSA-N -1 1 298.273 3.451 20 0 CGADMM Cc1ccc2nc(-c3ccc4cnn(C)c4c3)[n-]c(=O)c2c1 ZINC000446998283 393864056 /nfs/dbraw/zinc/86/40/56/393864056.db2.gz CPNIQMXQUUNUTA-UHFFFAOYSA-N -1 1 290.326 3.198 20 0 CGADMM C[C@]12CN(C(=O)c3cc(F)ccc3[O-])C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000456995788 394307615 /nfs/dbraw/zinc/30/76/15/394307615.db2.gz UNGPTCDAVLPPBL-NDIKUOACSA-N -1 1 289.350 3.040 20 0 CGADMM CC1(C)CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000668658405 543041220 /nfs/dbraw/zinc/04/12/20/543041220.db2.gz MEFBDVILXUYXCP-UHFFFAOYSA-N -1 1 284.359 3.203 20 0 CGADMM CN(C(=O)c1cncc([O-])c1)c1cccc2ccccc21 ZINC000670776254 543157235 /nfs/dbraw/zinc/15/72/35/543157235.db2.gz MTKUCTHMVQFRDC-UHFFFAOYSA-N -1 1 278.311 3.217 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000671785024 543189768 /nfs/dbraw/zinc/18/97/68/543189768.db2.gz UDGHSQVPJOEBGW-SFYZADRCSA-N -1 1 291.244 3.448 20 0 CGADMM O=C(Nc1ccc(C2CC2)cc1)C(=O)c1ccc([O-])cc1 ZINC000673048475 543232903 /nfs/dbraw/zinc/23/29/03/543232903.db2.gz VQWDTIDEGHRACE-UHFFFAOYSA-N -1 1 281.311 3.091 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000047367584 397632459 /nfs/dbraw/zinc/63/24/59/397632459.db2.gz RYCZCVHQSKEBSS-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(C(C)(C)C)[nH]n1 ZINC000650185626 397799314 /nfs/dbraw/zinc/79/93/14/397799314.db2.gz NUPKCJLWZDYJNS-SNVBAGLBSA-N -1 1 287.429 3.028 20 0 CGADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(C(C)(C)C)n1 ZINC000263515935 300054674 /nfs/dbraw/zinc/05/46/74/300054674.db2.gz OPVJXNORXYWBII-QWRGUYRKSA-N -1 1 296.436 3.126 20 0 CGADMM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000560062653 289568904 /nfs/dbraw/zinc/56/89/04/289568904.db2.gz FOJIMLDZQUVEEM-SECBINFHSA-N -1 1 293.791 3.192 20 0 CGADMM C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000070158023 286986049 /nfs/dbraw/zinc/98/60/49/286986049.db2.gz SFSOEKNPWGOIJE-JTQLQIEISA-N -1 1 267.756 3.308 20 0 CGADMM CC(C)[C@@H](C)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000081066894 287070677 /nfs/dbraw/zinc/07/06/77/287070677.db2.gz SXQGYVLKGPAYKT-VIFPVBQESA-N -1 1 255.745 3.068 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1n[nH]c2ccccc21 ZINC000082192895 165168515 /nfs/dbraw/zinc/16/85/15/165168515.db2.gz IKIVQUIFCVBXGQ-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM COc1ccc(-c2nc(-c3ccc(F)cc3)no2)c([O-])c1 ZINC000111687834 287135855 /nfs/dbraw/zinc/13/58/55/287135855.db2.gz FYDXFYIRWGBTTC-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM O=C([O-])CC1CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000124480416 287233813 /nfs/dbraw/zinc/23/38/13/287233813.db2.gz ZHSIYENAAQISPW-UHFFFAOYSA-N -1 1 285.746 3.166 20 0 CGADMM C[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000037251210 173063095 /nfs/dbraw/zinc/06/30/95/173063095.db2.gz OQESTSZUFLCJMX-ONGXEEELSA-N -1 1 267.756 3.354 20 0 CGADMM CC[C@@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1Cl ZINC000044622630 175220716 /nfs/dbraw/zinc/22/07/16/175220716.db2.gz YXZBXPCCHATHOQ-NSHDSACASA-N -1 1 276.163 3.288 20 0 CGADMM Cc1cccc(N(C)C(=O)c2cc(F)ccc2[O-])c1 ZINC000128649764 287315506 /nfs/dbraw/zinc/31/55/06/287315506.db2.gz DOQWVTYVNOVQGP-UHFFFAOYSA-N -1 1 259.280 3.116 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C[C@H]1F ZINC000679260634 543609867 /nfs/dbraw/zinc/60/98/67/543609867.db2.gz ZKVGJRUYZXVZIE-XHDPSFHLSA-N -1 1 287.334 3.366 20 0 CGADMM Cc1cc(-c2nc3cccc(F)c3c(=O)[n-]2)c(C)o1 ZINC000680527009 543716682 /nfs/dbraw/zinc/71/66/82/543716682.db2.gz CBZMWQXMJBQBEL-UHFFFAOYSA-N -1 1 258.252 3.351 20 0 CGADMM Cc1ccccc1C[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000681018082 543757422 /nfs/dbraw/zinc/75/74/22/543757422.db2.gz ICSRGUZIKSGPHB-LBPRGKRZSA-N -1 1 287.334 3.201 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681021282 543758617 /nfs/dbraw/zinc/75/86/17/543758617.db2.gz SJKMOFKOXHLUBR-MNOVXSKESA-N -1 1 265.328 3.087 20 0 CGADMM O=C(Nc1cc(F)c(F)cc1F)c1ccc([O-])c(F)c1 ZINC000681041195 543759650 /nfs/dbraw/zinc/75/96/50/543759650.db2.gz ANCMRBYNZJBNAX-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@]2(CC=CCC2)C1 ZINC000681047256 543760244 /nfs/dbraw/zinc/76/02/44/543760244.db2.gz YTAITGGAAQTQPQ-QGZVFWFLSA-N -1 1 289.350 3.494 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000681047254 543760731 /nfs/dbraw/zinc/76/07/31/543760731.db2.gz YTAITGGAAQTQPQ-KRWDZBQOSA-N -1 1 289.350 3.494 20 0 CGADMM Cc1c(F)cccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681053492 543761464 /nfs/dbraw/zinc/76/14/64/543761464.db2.gz XDALCHKYPGAXFO-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM Cc1cc(CNC(=O)c2ccc([O-])c(F)c2)ccc1Cl ZINC000681067609 543763134 /nfs/dbraw/zinc/76/31/34/543763134.db2.gz COSHWPPCQCVJDI-UHFFFAOYSA-N -1 1 293.725 3.423 20 0 CGADMM Cc1cccc(CC2CN(C(=O)c3ccc([O-])cc3F)C2)c1 ZINC000681530950 543793571 /nfs/dbraw/zinc/79/35/71/543793571.db2.gz QNYHVGGKPSZSLT-UHFFFAOYSA-N -1 1 299.345 3.154 20 0 CGADMM COc1cc(C(=O)NC(C(C)C)C(C)C)cc(Cl)c1[O-] ZINC000682384394 543839104 /nfs/dbraw/zinc/83/91/04/543839104.db2.gz JTHFEYOMIBAEMC-UHFFFAOYSA-N -1 1 299.798 3.465 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CC34CCC4)n2)cc1F ZINC000683594494 543927994 /nfs/dbraw/zinc/92/79/94/543927994.db2.gz XQSTVUMQGHSMKQ-VIFPVBQESA-N -1 1 260.268 3.239 20 0 CGADMM [O-]c1ccc(-c2nc(COc3ccccc3)no2)c(F)c1 ZINC000131896161 287392431 /nfs/dbraw/zinc/39/24/31/287392431.db2.gz PDZGAPQZNVZXBN-UHFFFAOYSA-N -1 1 286.262 3.160 20 0 CGADMM CC(=O)c1cc(C(=O)Nc2ccc(F)cc2[O-])ccc1C ZINC000684056937 543963392 /nfs/dbraw/zinc/96/33/92/543963392.db2.gz HIRAXMNYFZGCGV-UHFFFAOYSA-N -1 1 287.290 3.295 20 0 CGADMM O=C(NCCCc1ccccc1F)c1ccc([O-])c(F)c1 ZINC000684515176 544010219 /nfs/dbraw/zinc/01/02/19/544010219.db2.gz OIVMNLFQIDZDET-UHFFFAOYSA-N -1 1 291.297 3.033 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc([O-])c(F)c2)[C@@H]1C ZINC000684615679 544020239 /nfs/dbraw/zinc/02/02/39/544020239.db2.gz AAFABEXMFQIUNO-WZRBSPASSA-N -1 1 279.355 3.333 20 0 CGADMM COc1cc(C(=O)N2C[C@H](C)CC[C@H]2C)cc(Cl)c1[O-] ZINC000135154678 287462441 /nfs/dbraw/zinc/46/24/41/287462441.db2.gz IGJLGQOKUMXINZ-NXEZZACHSA-N -1 1 297.782 3.315 20 0 CGADMM CCN(Cc1ccoc1)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000652408258 418962642 /nfs/dbraw/zinc/96/26/42/418962642.db2.gz QWXOCEOIYWXHDB-LLVKDONJSA-N -1 1 277.320 3.462 20 0 CGADMM CC[C@@H]1c2ccccc2CCN1Cc1cc(C(=O)[O-])co1 ZINC000652414601 418964060 /nfs/dbraw/zinc/96/40/60/418964060.db2.gz INUDCCUVYWWXHZ-MRXNPFEDSA-N -1 1 285.343 3.487 20 0 CGADMM O=C(NC1CCC(C(F)F)CC1)c1ccc([O-])c(F)c1 ZINC000655313485 419038333 /nfs/dbraw/zinc/03/83/33/419038333.db2.gz WMWXBAPKFQZAGB-UHFFFAOYSA-N -1 1 287.281 3.085 20 0 CGADMM C[C@]12CN(C(=O)c3ccc([O-])c(F)c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000654465619 418977277 /nfs/dbraw/zinc/97/72/77/418977277.db2.gz SNTORVWJBBQPEF-HWAANXBSSA-N -1 1 289.350 3.040 20 0 CGADMM Cc1nc(-c2ccc(NC3CC(C)(C)C3)nc2)[n-]c(=O)c1C ZINC000664628714 418987781 /nfs/dbraw/zinc/98/77/81/418987781.db2.gz JOXIAHPNQXRRMM-UHFFFAOYSA-N -1 1 298.390 3.462 20 0 CGADMM CC(C)(C)n1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000654936550 419010643 /nfs/dbraw/zinc/01/06/43/419010643.db2.gz ZKMOFKSVQFZYOB-UHFFFAOYSA-N -1 1 293.754 3.249 20 0 CGADMM CC[C@@H]1C[C@H]1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000653812456 419089769 /nfs/dbraw/zinc/08/97/69/419089769.db2.gz GEQPJFOPXIDTFF-SCZZXKLOSA-N -1 1 287.281 3.187 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000656050208 419136652 /nfs/dbraw/zinc/13/66/52/419136652.db2.gz WCQMJODAMGYKHE-JMJZKYOTSA-N -1 1 274.295 3.485 20 0 CGADMM COc1ccc(C)cc1CSc1ncc(C)c(=O)[n-]1 ZINC000657261621 419239425 /nfs/dbraw/zinc/23/94/25/419239425.db2.gz MWJVSHYHHGCUSA-UHFFFAOYSA-N -1 1 276.361 3.100 20 0 CGADMM CCc1nc(SCC2=CCCC2)[n-]c(=O)c1C ZINC000657264738 419239872 /nfs/dbraw/zinc/23/98/72/419239872.db2.gz ZLVODQQSRNRRKA-UHFFFAOYSA-N -1 1 250.367 3.255 20 0 CGADMM CSc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000192638358 228204248 /nfs/dbraw/zinc/20/42/48/228204248.db2.gz ISFXZAQUIQQJFH-UHFFFAOYSA-N -1 1 275.329 3.072 20 0 CGADMM CSc1ccc([O-])c(-c2nc([C@@H]3C[C@H]3C)no2)c1 ZINC000663307949 419545951 /nfs/dbraw/zinc/54/59/51/419545951.db2.gz ITBZGEGIRHNVDE-VXNVDRBHSA-N -1 1 262.334 3.288 20 0 CGADMM CCC(CC)(CC)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000662995078 419511903 /nfs/dbraw/zinc/51/19/03/419511903.db2.gz ZLOJPABUYGZRAA-UHFFFAOYSA-N -1 1 276.340 3.220 20 0 CGADMM O=C(NCc1ccc2ncccc2c1)c1c([O-])cccc1F ZINC000194923288 287624914 /nfs/dbraw/zinc/62/49/14/287624914.db2.gz NCTZCYMSNMWZIQ-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2F)c1F ZINC000180522881 260104884 /nfs/dbraw/zinc/10/48/84/260104884.db2.gz UPNWOHCFKBPLRF-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CCC(C)(C)NC(=O)c1ccc(Br)cc1[O-] ZINC000044490195 270035486 /nfs/dbraw/zinc/03/54/86/270035486.db2.gz RGRSKCVHQLGOLH-UHFFFAOYSA-N -1 1 286.169 3.073 20 0 CGADMM Cc1ccc([C@H](C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000228839200 270087752 /nfs/dbraw/zinc/08/77/52/270087752.db2.gz MRINNARNDMSVFA-NSHDSACASA-N -1 1 273.307 3.331 20 0 CGADMM Cc1ccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)o1 ZINC000525200358 270117971 /nfs/dbraw/zinc/11/79/71/270117971.db2.gz QVKPNJSFXRJZOY-UHFFFAOYSA-N -1 1 262.215 3.182 20 0 CGADMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)[C@H]1CCCC12CC2 ZINC000529491695 270181911 /nfs/dbraw/zinc/18/19/11/270181911.db2.gz ARCCADRSGHAHNA-SNVBAGLBSA-N -1 1 287.388 3.079 20 0 CGADMM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180706913 287738940 /nfs/dbraw/zinc/73/89/40/287738940.db2.gz KFRHHLZKKLAWEL-DTORHVGOSA-N -1 1 287.281 3.424 20 0 CGADMM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cncc([O-])c1 ZINC000292513402 277989748 /nfs/dbraw/zinc/98/97/48/277989748.db2.gz BDRPMGANOXPZBW-IIYDPXPESA-N -1 1 296.370 3.194 20 0 CGADMM COc1ccc(-c2nc(-c3sccc3C)no2)c([O-])c1 ZINC000395530122 288009602 /nfs/dbraw/zinc/00/96/02/288009602.db2.gz MXUQTYLNUBIFAT-UHFFFAOYSA-N -1 1 288.328 3.488 20 0 CGADMM C[C@@H]1C[C@@H](NC(=O)c2ccc3ccccc3c2[O-])CS1 ZINC000397982875 288037135 /nfs/dbraw/zinc/03/71/35/288037135.db2.gz SDTUQMWNEYWNNY-ZYHUDNBSSA-N -1 1 287.384 3.169 20 0 CGADMM C[C@H]1[C@@H](C)N(C(=O)c2cc(Cl)ccc2[O-])C[C@H]1C ZINC000399597827 288053307 /nfs/dbraw/zinc/05/33/07/288053307.db2.gz XVZHCRODAGHEDP-OPRDCNLKSA-N -1 1 267.756 3.162 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H]2CCC[C@H]21 ZINC000436840960 280181661 /nfs/dbraw/zinc/18/16/61/280181661.db2.gz YKSXTYJKRYVUKI-BXKDBHETSA-N -1 1 299.292 3.426 20 0 CGADMM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc(F)c1[O-] ZINC000530007138 288282426 /nfs/dbraw/zinc/28/24/26/288282426.db2.gz YHGPTSXFRNWKJI-BXUZGUMPSA-N -1 1 295.354 3.455 20 0 CGADMM Cc1cc(C)nc(-c2nc3ccc(F)cc3c(=O)[n-]2)c1 ZINC000552787221 289198884 /nfs/dbraw/zinc/19/88/84/289198884.db2.gz UOSFWSCRYFMSGK-UHFFFAOYSA-N -1 1 269.279 3.153 20 0 CGADMM CCc1ccc([C@@H]2CCCN2Cc2ccoc2C(=O)[O-])o1 ZINC000564575113 322034883 /nfs/dbraw/zinc/03/48/83/322034883.db2.gz FEUPBVSWBDNQKH-ZDUSSCGKSA-N -1 1 289.331 3.470 20 0 CGADMM O=C(N[C@@H]1CCC[C@H](F)C1)c1cc(Cl)ccc1[O-] ZINC000565002410 322053788 /nfs/dbraw/zinc/05/37/88/322053788.db2.gz AXHAEJGKIWHHKP-VHSXEESVSA-N -1 1 271.719 3.056 20 0 CGADMM O=C([O-])c1ccoc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000565103864 322060617 /nfs/dbraw/zinc/06/06/17/322060617.db2.gz QQJTUHOZEXRKLU-CQSZACIVSA-N -1 1 289.306 3.454 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])ccc1Cl)C[C@H]1CCCO1 ZINC000565427844 322077525 /nfs/dbraw/zinc/07/75/25/322077525.db2.gz TZNHTGLZZBFGTA-CYBMUJFWSA-N -1 1 297.782 3.039 20 0 CGADMM CC[C@@H]1CN([C@H](C)c2cc(C)c(C(=O)[O-])o2)CCS1 ZINC000568062860 322191027 /nfs/dbraw/zinc/19/10/27/322191027.db2.gz STKOVIZQOKPYJV-GHMZBOCLSA-N -1 1 283.393 3.175 20 0 CGADMM CCCN(C[C@@H]1CCCCO1)[C@H](C(=O)[O-])c1ccsc1 ZINC000568639591 322216861 /nfs/dbraw/zinc/21/68/61/322216861.db2.gz SSWMHXBLITXOPP-KBPBESRZSA-N -1 1 297.420 3.155 20 0 CGADMM O=C([O-])c1coc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000569700787 322254856 /nfs/dbraw/zinc/25/48/56/322254856.db2.gz HOFAEZJKWVWJOQ-HNNXBMFYSA-N -1 1 299.370 3.433 20 0 CGADMM CCOc1ccccc1CN(C)Cc1ccccc1C(=O)[O-] ZINC000570637888 322278752 /nfs/dbraw/zinc/27/87/52/322278752.db2.gz BJHDSSUMPGHTMT-UHFFFAOYSA-N -1 1 299.370 3.416 20 0 CGADMM CCc1nc(SCc2cncc(C)c2)[n-]c(=O)c1C ZINC000584302869 327230908 /nfs/dbraw/zinc/23/09/08/327230908.db2.gz PWHBDSPRMKFLOW-UHFFFAOYSA-N -1 1 275.377 3.049 20 0 CGADMM Cc1ccccc1OCCCSc1ncc(C)c(=O)[n-]1 ZINC000582192962 328622789 /nfs/dbraw/zinc/62/27/89/328622789.db2.gz ZAXVMMNIEBEWGD-UHFFFAOYSA-N -1 1 290.388 3.360 20 0 CGADMM Cc1cc(N(C)C)cc(C)c1NC(=O)c1ccccc1[O-] ZINC000157995759 330812523 /nfs/dbraw/zinc/81/25/23/330812523.db2.gz HQNULBDTODSQAX-UHFFFAOYSA-N -1 1 284.359 3.327 20 0 CGADMM [O-]c1ccc(-c2noc(CCOCC3CC3)n2)c(Cl)c1 ZINC000350814213 335536159 /nfs/dbraw/zinc/53/61/59/335536159.db2.gz KCGBAOMXZVCPFA-UHFFFAOYSA-N -1 1 294.738 3.065 20 0 CGADMM O=C([O-])c1ccccc1CN1CC=C(C(F)(F)F)CC1 ZINC000382507335 336091995 /nfs/dbraw/zinc/09/19/95/336091995.db2.gz YQNBJTSOHVPHBC-UHFFFAOYSA-N -1 1 285.265 3.079 20 0 CGADMM CCc1cc(NC(=O)c2ccc(O)cc2[O-])ccc1C ZINC000383530817 336112805 /nfs/dbraw/zinc/11/28/05/336112805.db2.gz MGNYPIIGSUPNCQ-UHFFFAOYSA-N -1 1 271.316 3.221 20 0 CGADMM C[C@H](CC(C)(C)C)NC(=O)c1ccc([O-])cc1F ZINC000384578862 336126379 /nfs/dbraw/zinc/12/63/79/336126379.db2.gz WPECGLSGZSUYPO-SECBINFHSA-N -1 1 253.317 3.086 20 0 CGADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccccn1 ZINC000192718229 533749854 /nfs/dbraw/zinc/74/98/54/533749854.db2.gz VYNKJWZQGVRHQX-LBPRGKRZSA-N -1 1 292.338 3.431 20 0 CGADMM Cc1cc2[nH]c(CNCc3cc(C(=O)[O-])co3)cc2c(C)c1 ZINC000426715701 534057578 /nfs/dbraw/zinc/05/75/78/534057578.db2.gz SGKKLVPBMJHOOM-UHFFFAOYSA-N -1 1 298.342 3.366 20 0 CGADMM Cc1ccc(CN[C@@H](C(=O)[O-])C2(C)CCCCC2)o1 ZINC000426723123 534075507 /nfs/dbraw/zinc/07/55/07/534075507.db2.gz XYCMHDFXVFNSTE-ZDUSSCGKSA-N -1 1 265.353 3.101 20 0 CGADMM CSc1ccc(C)c(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436729370 534195610 /nfs/dbraw/zinc/19/56/10/534195610.db2.gz AXFFQHOQXRNZNH-UHFFFAOYSA-N -1 1 289.356 3.380 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)C2=CCCCCC2)c1 ZINC000436517764 534230889 /nfs/dbraw/zinc/23/08/89/534230889.db2.gz HMHNFLXJICWHMZ-UHFFFAOYSA-N -1 1 289.331 3.008 20 0 CGADMM O=C(Nc1cccc2c1CCCC2)C(=O)c1ccc([O-])cc1 ZINC000436886723 534369032 /nfs/dbraw/zinc/36/90/32/534369032.db2.gz NXLDUKIYKOOMSY-UHFFFAOYSA-N -1 1 295.338 3.092 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cccs3)n2)c(F)c1 ZINC000445459765 534448299 /nfs/dbraw/zinc/44/82/99/534448299.db2.gz HDCJXLCXIBYMTM-UHFFFAOYSA-N -1 1 262.265 3.310 20 0 CGADMM CC(C)c1nnc(CNCc2cccc([O-])c2Cl)s1 ZINC000339295183 519887460 /nfs/dbraw/zinc/88/74/60/519887460.db2.gz HYZJJIVBJIGYSM-UHFFFAOYSA-N -1 1 297.811 3.310 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](C2CC2)C1 ZINC000368225019 534660401 /nfs/dbraw/zinc/66/04/01/534660401.db2.gz LPZCQPAOANLNOS-NSHDSACASA-N -1 1 279.767 3.308 20 0 CGADMM C[C@H](Cc1cccs1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000070140835 524753670 /nfs/dbraw/zinc/75/36/70/524753670.db2.gz XRJQLWZHEJVXRS-SECBINFHSA-N -1 1 295.791 3.468 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCCC2(CC2)C1 ZINC000184113972 526678997 /nfs/dbraw/zinc/67/89/97/526678997.db2.gz DGVCCKNJDKCTGX-UHFFFAOYSA-N -1 1 265.740 3.062 20 0 CGADMM CC(C)(CCNc1ccnc2cc(F)ccc21)C(=O)[O-] ZINC000424376064 527049537 /nfs/dbraw/zinc/04/95/37/527049537.db2.gz OJIKQCLTBNTLGG-UHFFFAOYSA-N -1 1 276.311 3.287 20 0 CGADMM O=C([O-])[C@@H](NCc1cc(Cl)ccc1F)c1ccccc1 ZINC000160807978 527654696 /nfs/dbraw/zinc/65/46/96/527654696.db2.gz JXBDGTVNAOSHCR-AWEZNQCLSA-N -1 1 293.725 3.395 20 0 CGADMM CC(C)[C@H]1CCN1C(=O)c1ccc(Br)cc1[O-] ZINC000336587849 527805628 /nfs/dbraw/zinc/80/56/28/527805628.db2.gz NZVLMMGLOZTIRJ-LLVKDONJSA-N -1 1 298.180 3.025 20 0 CGADMM CC(C)[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000436895959 527840420 /nfs/dbraw/zinc/84/04/20/527840420.db2.gz WLXAKQSRNOGPGM-QGZVFWFLSA-N -1 1 299.370 3.042 20 0 CGADMM CCCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000368654444 528081886 /nfs/dbraw/zinc/08/18/86/528081886.db2.gz YRWOPJQFAHVCAA-UHFFFAOYSA-N -1 1 289.375 3.004 20 0 CGADMM CCCc1cnc(NC(=O)c2cc(F)ccc2[O-])s1 ZINC000436767643 528657331 /nfs/dbraw/zinc/65/73/31/528657331.db2.gz GWYCMSRATHLVPE-UHFFFAOYSA-N -1 1 280.324 3.193 20 0 CGADMM CC(C)[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCS1 ZINC000175462165 528736222 /nfs/dbraw/zinc/73/62/22/528736222.db2.gz NYGCNJISVXBESU-ZDUSSCGKSA-N -1 1 299.823 3.259 20 0 CGADMM CCN(Cc1cccs1)C(=O)c1c(F)ccc([O-])c1F ZINC000358346122 528853475 /nfs/dbraw/zinc/85/34/75/528853475.db2.gz AZDLZJDWLORRIK-UHFFFAOYSA-N -1 1 297.326 3.394 20 0 CGADMM CC1(C)C[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C(C)(C)O1 ZINC000436889306 529138636 /nfs/dbraw/zinc/13/86/36/529138636.db2.gz XJPLYODWTQOXQW-GFCCVEGCSA-N -1 1 297.782 3.122 20 0 CGADMM CC(C)(C)OC1CC(Sc2nc(C3CC3)cc(=O)[n-]2)C1 ZINC000450907560 534967447 /nfs/dbraw/zinc/96/74/47/534967447.db2.gz KNZGFEYMPHQCPY-UHFFFAOYSA-N -1 1 294.420 3.498 20 0 CGADMM CC/C=C\CNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000456110935 535258217 /nfs/dbraw/zinc/25/82/17/535258217.db2.gz YMODUVXLPNZKGW-WAYWQWQTSA-N -1 1 283.755 3.140 20 0 CGADMM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000451285053 535309457 /nfs/dbraw/zinc/30/94/57/535309457.db2.gz AFOQSHQRAATGQM-SECBINFHSA-N -1 1 293.841 3.259 20 0 CGADMM CCc1ccc(C(=O)N(C)c2ccccc2)c([O-])c1 ZINC000188404444 536164793 /nfs/dbraw/zinc/16/47/93/536164793.db2.gz FURCCLBWGBKRLG-UHFFFAOYSA-N -1 1 255.317 3.231 20 0 CGADMM O=C([N-][C@@H]1CCCC[C@H]1c1ccccc1)C(F)(F)F ZINC000729341334 571900225 /nfs/dbraw/zinc/90/02/25/571900225.db2.gz MBXANVSVMCSNQN-NWDGAFQWSA-N -1 1 271.282 3.391 20 0 CGADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1csc2ccccc21 ZINC000732289800 572459067 /nfs/dbraw/zinc/45/90/67/572459067.db2.gz WYQICYFOPOMBPP-SNVBAGLBSA-N -1 1 298.367 3.493 20 0 CGADMM CC(C)c1cnc(COC(=O)c2c([O-])cc(F)cc2F)o1 ZINC000733469652 572580522 /nfs/dbraw/zinc/58/05/22/572580522.db2.gz DBNXBUARLZSCMF-UHFFFAOYSA-N -1 1 297.257 3.139 20 0 CGADMM Fc1cc(F)cc(Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737653172 572587102 /nfs/dbraw/zinc/58/71/02/572587102.db2.gz QLZMFHMKWOJLOK-UHFFFAOYSA-N -1 1 292.220 3.076 20 0 CGADMM Fc1cc(F)cc(Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737653172 572587104 /nfs/dbraw/zinc/58/71/04/572587104.db2.gz QLZMFHMKWOJLOK-UHFFFAOYSA-N -1 1 292.220 3.076 20 0 CGADMM C[C@@H]1c2ccccc2CN1Cc1ccc(C(=O)[O-])cc1 ZINC000828528031 601116991 /nfs/dbraw/zinc/11/69/91/601116991.db2.gz QHYNJKNJFZJENT-GFCCVEGCSA-N -1 1 267.328 3.462 20 0 CGADMM C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000235356445 601506028 /nfs/dbraw/zinc/50/60/28/601506028.db2.gz QFWDYLCJZNFJCG-PSASIEDQSA-N -1 1 288.174 3.146 20 0 CGADMM CSc1ccc(-n2[n-]c(CC3CC3)cc2=O)cc1 ZINC000899348764 620653869 /nfs/dbraw/zinc/65/38/69/620653869.db2.gz JSVBENVMVMFDRF-UHFFFAOYSA-N -1 1 260.362 3.301 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1ccc(OC(F)F)cc1 ZINC000899349650 620654292 /nfs/dbraw/zinc/65/42/92/620654292.db2.gz JAEDWNDRJMKMNT-UHFFFAOYSA-N -1 1 280.274 3.181 20 0 CGADMM Cc1cccc([C@H]2CCCN2Cc2cc(C(=O)[O-])co2)n1 ZINC000832967564 604367611 /nfs/dbraw/zinc/36/76/11/604367611.db2.gz HZJMSYYJGJLUAZ-OAHLLOKOSA-N -1 1 286.331 3.018 20 0 CGADMM CC[C@H](C)[C@@H](N[C@@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000828739928 604407361 /nfs/dbraw/zinc/40/73/61/604407361.db2.gz SZIQGPWOIFXKIZ-OUJBWJOFSA-N -1 1 292.404 3.446 20 0 CGADMM Cc1ccc(CNCc2ccc([C@@H](C)NC(=O)[O-])cc2)o1 ZINC000830324993 604413579 /nfs/dbraw/zinc/41/35/79/604413579.db2.gz WIVQAQHZIZCBRR-GFCCVEGCSA-N -1 1 288.347 3.206 20 0 CGADMM Cc1c(-c2ccccc2)[n-]n(C2CCC(F)(F)CC2)c1=O ZINC000899366074 620674394 /nfs/dbraw/zinc/67/43/94/620674394.db2.gz HXTJNPNQQBCXKH-LLVKDONJSA-N -1 1 292.329 3.447 20 0 CGADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1occc1C(=O)[O-] ZINC000833606807 605704175 /nfs/dbraw/zinc/70/41/75/605704175.db2.gz WGFIMAFNUDVRMJ-DTWKUNHWSA-N -1 1 291.269 3.141 20 0 CGADMM CC(C)[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC000820025890 606442741 /nfs/dbraw/zinc/44/27/41/606442741.db2.gz FARJPQSQMAROQF-OAHLLOKOSA-N -1 1 294.362 3.071 20 0 CGADMM CC(C)[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000820025890 606442742 /nfs/dbraw/zinc/44/27/42/606442742.db2.gz FARJPQSQMAROQF-OAHLLOKOSA-N -1 1 294.362 3.071 20 0 CGADMM Cc1cc(C)c(CC(=O)[N-]OCc2ccccc2)s1 ZINC000900002442 620743246 /nfs/dbraw/zinc/74/32/46/620743246.db2.gz SXYJRZPHRNBJPN-UHFFFAOYSA-N -1 1 275.373 3.155 20 0 CGADMM CCc1cccc2c(C=C3SC(=O)[N-]C3=O)c[nH]c21 ZINC000096021649 618435654 /nfs/dbraw/zinc/43/56/54/618435654.db2.gz NQNZTBDOZCGURT-IZZDOVSWSA-N -1 1 272.329 3.054 20 0 CGADMM O=C(C[C@@H]1CC[C@H](C2CC2)O1)Nc1ccc([O-])c(Cl)c1 ZINC000935021039 618719524 /nfs/dbraw/zinc/71/95/24/618719524.db2.gz OXRSTGPUXRSUOT-SMDDNHRTSA-N -1 1 295.766 3.332 20 0 CGADMM COCCOc1cccc(/C=C/C(=O)c2ccc([O-])cc2)c1 ZINC000053090861 618805326 /nfs/dbraw/zinc/80/53/26/618805326.db2.gz WNKCNAXPWVOHNI-BJMVGYQFSA-N -1 1 298.338 3.314 20 0 CGADMM CC[C@@H](OC1CCCC1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000188368330 619084746 /nfs/dbraw/zinc/08/47/46/619084746.db2.gz OVFYENYOGUWDTA-LLVKDONJSA-N -1 1 298.770 3.117 20 0 CGADMM O=C([O-])C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000003747635 619244891 /nfs/dbraw/zinc/24/48/91/619244891.db2.gz JEQPOVQZLDSNAC-UHFFFAOYSA-N -1 1 288.174 3.290 20 0 CGADMM [O-]c1ccc(-c2noc(C[C@@H]3C[C@H]3C3CC3)n2)cc1F ZINC000896221823 619966307 /nfs/dbraw/zinc/96/63/07/619966307.db2.gz JRZZISDPLQGKIK-QWRGUYRKSA-N -1 1 274.295 3.170 20 0 CGADMM O=c1nc(N[C@H]2CCSC3(CCC3)C2)cc(Cl)[n-]1 ZINC000896249527 619980809 /nfs/dbraw/zinc/98/08/09/619980809.db2.gz ZHUIBDHIFQYYAZ-QMMMGPOBSA-N -1 1 285.800 3.066 20 0 CGADMM COCC(C)(C)c1noc(-c2cc(SC)ccc2[O-])n1 ZINC000896594920 620034416 /nfs/dbraw/zinc/03/44/16/620034416.db2.gz XRCSQZZOXTWBKR-UHFFFAOYSA-N -1 1 294.376 3.088 20 0 CGADMM Cc1ccc(-c2ccc(CN3CCC[C@H]3C(=O)[O-])o2)cc1 ZINC000263380342 620315230 /nfs/dbraw/zinc/31/52/30/620315230.db2.gz BMZSKRYKQSUQMS-HNNXBMFYSA-N -1 1 285.343 3.304 20 0 CGADMM CC(C)(F)CCNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000898724106 620603127 /nfs/dbraw/zinc/60/31/27/620603127.db2.gz BBNFCQWNPSPJSH-UHFFFAOYSA-N -1 1 291.322 3.119 20 0 CGADMM Cc1cc(C)c(/C=C/CN2CC[C@](F)(C(=O)[O-])C2)cc1C ZINC000901516831 620923467 /nfs/dbraw/zinc/92/34/67/620923467.db2.gz GRECPWMOJQLDDJ-LAQIPUCWSA-N -1 1 291.366 3.124 20 0 CGADMM O=C([O-])[C@@]1(F)CCN(Cc2cccc(CC3CCC3)c2)C1 ZINC000901515347 620923961 /nfs/dbraw/zinc/92/39/61/620923961.db2.gz BCPOHFLORKLACM-QGZVFWFLSA-N -1 1 291.366 3.028 20 0 CGADMM CCCN(CC(=O)[O-])Cc1cc2cccc(CC)c2o1 ZINC000901605982 620952274 /nfs/dbraw/zinc/95/22/74/620952274.db2.gz ZLLZUTRUQQMWNC-UHFFFAOYSA-N -1 1 275.348 3.292 20 0 CGADMM Cc1cc(CNCc2cccc(C3CC3)c2)oc1C(=O)[O-] ZINC000901939127 621070314 /nfs/dbraw/zinc/07/03/14/621070314.db2.gz QNSIPVWMUWCJGG-UHFFFAOYSA-N -1 1 285.343 3.453 20 0 CGADMM Cc1cc2cc(CN(CC(=O)[O-])C3CC3)oc2cc1C ZINC000901970537 621084110 /nfs/dbraw/zinc/08/41/10/621084110.db2.gz NFSBEUWTTHLRTH-UHFFFAOYSA-N -1 1 273.332 3.099 20 0 CGADMM CCc1oc2ccccc2c1CN(CC(=O)[O-])C1CC1 ZINC000901972568 621084510 /nfs/dbraw/zinc/08/45/10/621084510.db2.gz WQOVBIWPZBLMEE-UHFFFAOYSA-N -1 1 273.332 3.044 20 0 CGADMM CCc1oc(CN[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000902050163 621117279 /nfs/dbraw/zinc/11/72/79/621117279.db2.gz WUXQWGABTTWBOV-LLVKDONJSA-N -1 1 273.332 3.391 20 0 CGADMM O=C([O-])c1coc(CN[C@H](c2cccs2)C2CC2)c1 ZINC000902084576 621130207 /nfs/dbraw/zinc/13/02/07/621130207.db2.gz NWTPPUWLISHMBA-ZDUSSCGKSA-N -1 1 277.345 3.280 20 0 CGADMM O=C([O-])c1cc(CN[C@H]2CCCc3occc32)cs1 ZINC000902133178 621150858 /nfs/dbraw/zinc/15/08/58/621150858.db2.gz UKVKGSPKVWBUKF-NSHDSACASA-N -1 1 277.345 3.207 20 0 CGADMM Cc1cccc2c1CC[C@H]2NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902230518 621203397 /nfs/dbraw/zinc/20/33/97/621203397.db2.gz DSVNKUVSXAOZHI-PYUISTEWSA-N -1 1 297.354 3.463 20 0 CGADMM CC1(C)C[C@]1(NCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000902329778 621265799 /nfs/dbraw/zinc/26/57/99/621265799.db2.gz NBGPWEAZCIKNBL-KRWDZBQOSA-N -1 1 285.343 3.393 20 0 CGADMM O=C([O-])c1cccc(CN2CCC[C@@H]2c2cccs2)n1 ZINC000902507705 621349007 /nfs/dbraw/zinc/34/90/07/621349007.db2.gz GXJQRFGNVPQLIU-CYBMUJFWSA-N -1 1 288.372 3.178 20 0 CGADMM Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])no1 ZINC000902509967 621349643 /nfs/dbraw/zinc/34/96/43/621349643.db2.gz NHAHPCUFXWATRC-HNNXBMFYSA-N -1 1 286.331 3.018 20 0 CGADMM Cc1ccccc1[C@@H]1CCCN1Cc1cc(C(=O)[O-])no1 ZINC000902509967 621349649 /nfs/dbraw/zinc/34/96/49/621349649.db2.gz NHAHPCUFXWATRC-HNNXBMFYSA-N -1 1 286.331 3.018 20 0 CGADMM COc1cc(C)ccc1CNCc1ccc(C(=O)[O-])s1 ZINC000903681343 621788017 /nfs/dbraw/zinc/78/80/17/621788017.db2.gz WUOXQEVTTYNPKV-UHFFFAOYSA-N -1 1 291.372 3.053 20 0 CGADMM O=C([O-])c1ccc(CN[C@H](c2cccs2)C2CC2)nc1 ZINC000905718083 622098224 /nfs/dbraw/zinc/09/82/24/622098224.db2.gz DOSFNUNTCPGXFP-AWEZNQCLSA-N -1 1 288.372 3.082 20 0 CGADMM CC[C@@H]1C[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908707838 622368934 /nfs/dbraw/zinc/36/89/34/622368934.db2.gz LSRQQSILKPSRBS-HTQZYQBOSA-N -1 1 284.153 3.139 20 0 CGADMM CCC[C@@H]1C[C@H](C(=O)Nc2cc([O-])c(F)cc2F)CCO1 ZINC000909985382 622441586 /nfs/dbraw/zinc/44/15/86/622441586.db2.gz JLBUKCHUJIARSF-NXEZZACHSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCCCCC(=O)C1 ZINC000909987208 622442975 /nfs/dbraw/zinc/44/29/75/622442975.db2.gz MAHAZFARLQYFRG-SECBINFHSA-N -1 1 297.301 3.148 20 0 CGADMM C[C@H]1CCCC[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988054 622444017 /nfs/dbraw/zinc/44/40/17/622444017.db2.gz SLWKTQWRXSRDEK-IUCAKERBSA-N -1 1 269.291 3.435 20 0 CGADMM CC(C)(C)c1cc(C(=O)Nc2cc(F)cc(F)c2[O-])no1 ZINC000910981091 622512519 /nfs/dbraw/zinc/51/25/19/622512519.db2.gz BUFAAMYKQHQEDZ-UHFFFAOYSA-N -1 1 296.273 3.208 20 0 CGADMM O=C(CC1CCSCC1)Nc1cc(F)cc(F)c1[O-] ZINC000910983927 622513656 /nfs/dbraw/zinc/51/36/56/622513656.db2.gz YNUPWZADOIKTIS-UHFFFAOYSA-N -1 1 287.331 3.142 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCCC12CC2 ZINC000910995078 622514013 /nfs/dbraw/zinc/51/40/13/622514013.db2.gz XSOJLPGIGKFPPR-SECBINFHSA-N -1 1 267.275 3.189 20 0 CGADMM C[C@H](CSC[C@H]1CCCO1)C(=O)c1ccc([O-])cc1 ZINC000917552663 624286946 /nfs/dbraw/zinc/28/69/46/624286946.db2.gz KFQGUJVMSVTZTE-BXUZGUMPSA-N -1 1 280.389 3.123 20 0 CGADMM CC(C)c1ccc2nc(-c3cccc(F)n3)[n-]c(=O)c2c1 ZINC000155175494 624442617 /nfs/dbraw/zinc/44/26/17/624442617.db2.gz HHCZNCVORXZSLG-UHFFFAOYSA-N -1 1 283.306 3.248 20 0 CGADMM CC(C)([N-]C(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC000839383470 626343234 /nfs/dbraw/zinc/34/32/34/626343234.db2.gz IDDBHUGYWDXQEA-UHFFFAOYSA-N -1 1 281.224 3.236 20 0 CGADMM C[C@@H](CC(=O)[N-]OCC(F)(F)F)c1ccc(F)cc1F ZINC000752126689 626419690 /nfs/dbraw/zinc/41/96/90/626419690.db2.gz FMDMIJDBKPYYHC-ZETCQYMHSA-N -1 1 297.223 3.069 20 0 CGADMM O=C(CCC1CCCC1)COC(=O)c1ccc([O-])cc1F ZINC000764574057 627212779 /nfs/dbraw/zinc/21/27/79/627212779.db2.gz TZGZKYNUTHXYBX-UHFFFAOYSA-N -1 1 294.322 3.228 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2ccc3c(c2)COC3)n1 ZINC000767058413 627379135 /nfs/dbraw/zinc/37/91/35/627379135.db2.gz VMLQQVBOGVZDJY-UHFFFAOYSA-N -1 1 288.372 3.067 20 0 CGADMM O=c1cc(C2CC2)nc(SC[C@H]2CC2(Cl)Cl)[n-]1 ZINC000767088298 627381108 /nfs/dbraw/zinc/38/11/08/627381108.db2.gz JHPWUOZJWZOSKA-SSDOTTSWSA-N -1 1 291.203 3.346 20 0 CGADMM CC(C)CN(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000769666348 627571854 /nfs/dbraw/zinc/57/18/54/627571854.db2.gz GQKLSADIPDGMGJ-UHFFFAOYSA-N -1 1 267.756 3.306 20 0 CGADMM C[C@H]1c2cccn2CCN1C(=O)c1c([O-])cccc1Cl ZINC000769669324 627572440 /nfs/dbraw/zinc/57/24/40/627572440.db2.gz WLXHKTKVQURHCQ-JTQLQIEISA-N -1 1 290.750 3.064 20 0 CGADMM CCCN(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000769765059 627577059 /nfs/dbraw/zinc/57/70/59/627577059.db2.gz JUZCAPOMPFZZCS-UHFFFAOYSA-N -1 1 253.729 3.060 20 0 CGADMM O=C(/C=C\c1cccs1)Nc1c([O-])cccc1F ZINC000770861036 627648639 /nfs/dbraw/zinc/64/86/39/627648639.db2.gz GDLQEDVCVFIXTH-SREVYHEPSA-N -1 1 263.293 3.245 20 0 CGADMM C[C@H](COC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000773567001 627897372 /nfs/dbraw/zinc/89/73/72/627897372.db2.gz RNROEXVHTXVPKD-LLVKDONJSA-N -1 1 274.291 3.492 20 0 CGADMM Cc1ccc2c(c1)CCN2C(=O)c1ccc([O-])cc1F ZINC000776184464 628177342 /nfs/dbraw/zinc/17/73/42/628177342.db2.gz FNSPOAAAGQKFCE-UHFFFAOYSA-N -1 1 271.291 3.043 20 0 CGADMM O=C(OCc1ccc(CF)cc1)c1ccc([O-])cc1F ZINC000777131706 628251244 /nfs/dbraw/zinc/25/12/44/628251244.db2.gz JMTHFESMJHLVMZ-UHFFFAOYSA-N -1 1 278.254 3.358 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H](F)c1ccccc1 ZINC000790047358 629179754 /nfs/dbraw/zinc/17/97/54/629179754.db2.gz KGEXGZVUYMSMFS-LLVKDONJSA-N -1 1 280.686 3.090 20 0 CGADMM C[C@@H]1CC[C@@H](CC(=O)Nc2nc(Cl)ccc2[O-])C1 ZINC000790051208 629180362 /nfs/dbraw/zinc/18/03/62/629180362.db2.gz NKZCFGAAAQOVDJ-RKDXNWHRSA-N -1 1 268.744 3.205 20 0 CGADMM CC(C)c1cccc(C(=O)Nc2nc(Cl)ccc2[O-])n1 ZINC000790050838 629180573 /nfs/dbraw/zinc/18/05/73/629180573.db2.gz LBQIVOOMTKOKPB-UHFFFAOYSA-N -1 1 291.738 3.211 20 0 CGADMM CC[C@H](CO)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000862295961 629341154 /nfs/dbraw/zinc/34/11/54/629341154.db2.gz XFXOSHRJDVYSNP-SECBINFHSA-N -1 1 293.750 3.156 20 0 CGADMM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c([O-])cccc1Cl ZINC000862374539 629356826 /nfs/dbraw/zinc/35/68/26/629356826.db2.gz NOXKETOVBFLDHQ-MXWKQRLJSA-N -1 1 279.767 3.212 20 0 CGADMM CCCCCCOCC(=O)Nc1cccc(F)c1[O-] ZINC000863010726 629460021 /nfs/dbraw/zinc/46/00/21/629460021.db2.gz ZFAFTHHLUHXOIS-UHFFFAOYSA-N -1 1 269.316 3.067 20 0 CGADMM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1c([O-])cccc1F ZINC000793734858 629499265 /nfs/dbraw/zinc/49/92/65/629499265.db2.gz CWVDLAIKZZTMOD-MNOVXSKESA-N -1 1 283.343 3.047 20 0 CGADMM COC(=O)c1ccc(C(=O)O[C@@H](C)c2ccccc2C)[n-]1 ZINC000796347680 629769321 /nfs/dbraw/zinc/76/93/21/629769321.db2.gz XTSBHRDMRXNRNW-NSHDSACASA-N -1 1 287.315 3.028 20 0 CGADMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000864857954 629934503 /nfs/dbraw/zinc/93/45/03/629934503.db2.gz FKVYRWIPFDMIQS-GJQVQUKXSA-N -1 1 297.358 3.013 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]2C[C@H]21 ZINC000804299045 630517451 /nfs/dbraw/zinc/51/74/51/630517451.db2.gz PDTXBRXWAYGMKS-GZMMTYOYSA-N -1 1 285.265 3.036 20 0 CGADMM CCN(CCC1CC1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876396121 634826563 /nfs/dbraw/zinc/82/65/63/634826563.db2.gz XFMIHKJDVWOZAN-UHFFFAOYSA-N -1 1 296.798 3.377 20 0 CGADMM C[C@@H]1[C@H](C)CN(C(=O)NCc2ccc([O-])c(Cl)c2)[C@H]1C ZINC000876396310 634826608 /nfs/dbraw/zinc/82/66/08/634826608.db2.gz CHPRNSORJDBOMU-MXWKQRLJSA-N -1 1 296.798 3.232 20 0 CGADMM CCCN(CCC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876392724 634826615 /nfs/dbraw/zinc/82/66/15/634826615.db2.gz DHOSYFXZNJMLGY-UHFFFAOYSA-N -1 1 284.787 3.377 20 0 CGADMM CC1(C)C[C@]1(C)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876399699 634827649 /nfs/dbraw/zinc/82/76/49/634827649.db2.gz STLKWUQGYCHYET-AWEZNQCLSA-N -1 1 282.771 3.033 20 0 CGADMM CC=C(CC)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000810111547 630839125 /nfs/dbraw/zinc/83/91/25/630839125.db2.gz OSGDMTPQWUFXRG-XCVCLJGOSA-N -1 1 271.320 3.077 20 0 CGADMM O=C(N[C@@H](C1CC1)C(F)(F)F)c1c([O-])cccc1Cl ZINC000813835629 631469609 /nfs/dbraw/zinc/46/96/09/631469609.db2.gz UCDASBBIMQZIBF-JTQLQIEISA-N -1 1 293.672 3.116 20 0 CGADMM Cc1nc(SCOCCC(C)(C)C)[n-]c(=O)c1C ZINC000814757772 631634707 /nfs/dbraw/zinc/63/47/07/631634707.db2.gz QMZFEVRYWSTYKP-UHFFFAOYSA-N -1 1 270.398 3.301 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC(C2CC2)CC1 ZINC000816904153 632060599 /nfs/dbraw/zinc/06/05/99/632060599.db2.gz BKRQWRRBWMEVKB-UHFFFAOYSA-N -1 1 279.767 3.308 20 0 CGADMM CC[C@H](C(=O)[N-]OCCC1CC1)c1ccc(OC)cc1 ZINC000817399543 632137765 /nfs/dbraw/zinc/13/77/65/632137765.db2.gz QIZQJCOUFMALIW-HNNXBMFYSA-N -1 1 277.364 3.037 20 0 CGADMM COc1cnc(C=Cc2cccc(Cl)c2)[n-]c1=O ZINC000821009306 632711307 /nfs/dbraw/zinc/71/13/07/632711307.db2.gz ZEBAILFHSQNHRN-WAYWQWQTSA-N -1 1 262.696 3.015 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1coc(C(C)(C)C)n1 ZINC000821372213 632759174 /nfs/dbraw/zinc/75/91/74/632759174.db2.gz VZWLCWQVGFGIHK-UHFFFAOYSA-N -1 1 277.324 3.083 20 0 CGADMM CC[C@@H](CC(=O)[N-]OCC(F)(F)F)C(C)(C)C ZINC000866733190 633237415 /nfs/dbraw/zinc/23/74/15/633237415.db2.gz FTSXWODBUIGRTR-QMMMGPOBSA-N -1 1 255.280 3.059 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)OCC[C@H]1CCCCO1 ZINC000869734605 633501994 /nfs/dbraw/zinc/50/19/94/633501994.db2.gz ICHPEOSJXOOWSS-GFCCVEGCSA-N -1 1 298.766 3.091 20 0 CGADMM COC1(COC(=O)Cc2ccc([O-])c(Cl)c2)CCCC1 ZINC000869736910 633502915 /nfs/dbraw/zinc/50/29/15/633502915.db2.gz VFMQCJSKRVLKTA-UHFFFAOYSA-N -1 1 298.766 3.091 20 0 CGADMM CCC(F)(F)C(=O)[N-][C@@H](C1CCCC1)C(F)(F)F ZINC000829821575 633798488 /nfs/dbraw/zinc/79/84/88/633798488.db2.gz VUUPVQRTUPMCQC-QMMMGPOBSA-N -1 1 273.245 3.269 20 0 CGADMM CCc1[n-]n(-c2ccc(Cl)nc2)c(=O)c1C(C)C ZINC000871955208 633925630 /nfs/dbraw/zinc/92/56/30/633925630.db2.gz XGNHTUSPIGSFML-GFCCVEGCSA-N -1 1 265.744 3.120 20 0 CGADMM CC(C)CCc1cc(=O)n(-c2ccc3n[nH]cc3c2)[n-]1 ZINC000871957771 633926773 /nfs/dbraw/zinc/92/67/73/633926773.db2.gz LQZLIPIPVKKIID-UHFFFAOYSA-N -1 1 270.336 3.092 20 0 CGADMM CC1(C)CCc2c([n-]n(C[C@@H]3CCCC3(F)F)c2=O)C1 ZINC000871962301 633929545 /nfs/dbraw/zinc/92/95/45/633929545.db2.gz AEISRTXEKGIWIV-QWRGUYRKSA-N -1 1 284.350 3.446 20 0 CGADMM CSCC1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000834358599 634153178 /nfs/dbraw/zinc/15/31/78/634153178.db2.gz SWDWVJWOBZVLCT-UHFFFAOYSA-N -1 1 299.823 3.261 20 0 CGADMM CC(C)OC1(CNC(=O)c2c([O-])cccc2Cl)CCC1 ZINC000834583634 634190678 /nfs/dbraw/zinc/19/06/78/634190678.db2.gz VNZSOLLGNAWARE-UHFFFAOYSA-N -1 1 297.782 3.123 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@H]1CCCC12CC2 ZINC000834818602 634246646 /nfs/dbraw/zinc/24/66/46/634246646.db2.gz OBUKALBHAHWXHV-LLVKDONJSA-N -1 1 279.767 3.242 20 0 CGADMM CCC[C@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834829194 634250420 /nfs/dbraw/zinc/25/04/20/634250420.db2.gz NVGPVAIHAMAZRQ-VIFPVBQESA-N -1 1 255.745 3.098 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H](CF)C1 ZINC000881591687 636155581 /nfs/dbraw/zinc/15/55/81/636155581.db2.gz SZRLPGINTSVAPN-GFCCVEGCSA-N -1 1 287.334 3.367 20 0 CGADMM C[C@@H](C(=O)NCCc1c(F)cc([O-])cc1F)C1CCCC1 ZINC000886266822 637473725 /nfs/dbraw/zinc/47/37/25/637473725.db2.gz ZYWYEYXUXHSYHC-SNVBAGLBSA-N -1 1 297.345 3.155 20 0 CGADMM CC(C)[C@@H]1CCc2[n-]n([C@@H]3CCCSC3)c(=O)c2C1 ZINC000887299247 637793821 /nfs/dbraw/zinc/79/38/21/637793821.db2.gz TZIFKAPVIMHWKT-JHJVBQTASA-N -1 1 280.437 3.153 20 0 CGADMM COc1cc(C(=O)NCC(C)(C)C2CC2)cc(Cl)c1[O-] ZINC000887380732 637811974 /nfs/dbraw/zinc/81/19/74/637811974.db2.gz QKPVQYOFXABZTQ-UHFFFAOYSA-N -1 1 297.782 3.220 20 0 CGADMM C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678371 638048092 /nfs/dbraw/zinc/04/80/92/638048092.db2.gz NQGHTFBGXWRWFR-YUMQZZPRSA-N -1 1 299.729 3.129 20 0 CGADMM COC[C@H](C)[C@@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678902 638048549 /nfs/dbraw/zinc/04/85/49/638048549.db2.gz XIOKOKZIMVVSJC-JGVFFNPUSA-N -1 1 289.734 3.042 20 0 CGADMM CC/C(C)=C\C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678692 638049095 /nfs/dbraw/zinc/04/90/95/638049095.db2.gz UONIHQMVVYATMI-DAXSKMNVSA-N -1 1 257.692 3.480 20 0 CGADMM C[C@@H]1CCCC[C@H]1CCNc1cc(Cl)[n-]c(=O)n1 ZINC000858410830 638707265 /nfs/dbraw/zinc/70/72/65/638707265.db2.gz BCGMTOLOOVSSLJ-ZJUUUORDSA-N -1 1 269.776 3.464 20 0 CGADMM CC(C)CC[C@H]1CCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000858451392 638722733 /nfs/dbraw/zinc/72/27/33/638722733.db2.gz WXRRAUPCWSXUCQ-SNVBAGLBSA-N -1 1 269.776 3.241 20 0 CGADMM O=c1nc(NCC2(Cc3ccccc3)CC2)cc(Cl)[n-]1 ZINC000858453429 638723301 /nfs/dbraw/zinc/72/33/01/638723301.db2.gz WIVVHRQMWGFYQP-UHFFFAOYSA-N -1 1 289.766 3.270 20 0 CGADMM CC(C)(C)[C@H]1CCCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858524064 638754858 /nfs/dbraw/zinc/75/48/58/638754858.db2.gz CWKWZZWZVQEVGP-VIFPVBQESA-N -1 1 269.776 3.098 20 0 CGADMM O=c1nc(NC[C@@H]2CCCC(F)(F)C2)cc(Cl)[n-]1 ZINC000858530088 638756757 /nfs/dbraw/zinc/75/67/57/638756757.db2.gz UWZOABASZAWMDQ-SSDOTTSWSA-N -1 1 277.702 3.073 20 0 CGADMM CC1(C)CCC[C@H]1[C@H]1CCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858600369 638999969 /nfs/dbraw/zinc/99/99/69/638999969.db2.gz QXYWQGJSUNFESY-QWRGUYRKSA-N -1 1 295.814 3.488 20 0 CGADMM CCc1noc([C@H](C)O[N-]C(=O)CCC2CCCCC2)n1 ZINC000083536838 640597212 /nfs/dbraw/zinc/59/72/12/640597212.db2.gz HCTIGQPTLAKFHM-NSHDSACASA-N -1 1 295.383 3.101 20 0 CGADMM CN(C)c1ccc(Cc2ccc([O-])c(F)c2F)cc1 ZINC001250435222 805615956 /nfs/dbraw/zinc/61/59/56/805615956.db2.gz ZVZFJUUUQRJTQO-UHFFFAOYSA-N -1 1 263.287 3.327 20 0 CGADMM CC(C)CCSc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001589610223 964004798 /nfs/dbraw/zinc/00/47/98/964004798.db2.gz VBOZCBNLGDLPOH-UHFFFAOYSA-N -1 1 289.817 3.115 20 0 CGADMM [O-]c1cc(F)c(-c2nc3cc(F)ccc3[nH]2)c(F)c1 ZINC001251008004 805826513 /nfs/dbraw/zinc/82/65/13/805826513.db2.gz XOMQAMMKQJKVRG-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM Cc1c2[nH]c(-c3ccc(C(=O)[O-])s3)nc2ccc1F ZINC001251015689 805829516 /nfs/dbraw/zinc/82/95/16/805829516.db2.gz WZSHDGOHUOQQGZ-UHFFFAOYSA-N -1 1 276.292 3.437 20 0 CGADMM CC(=O)c1ccc2[nH]c(-c3ccc(F)c([O-])c3)nc2c1 ZINC001251477479 805900452 /nfs/dbraw/zinc/90/04/52/805900452.db2.gz NDNBXRGQMWWXIQ-UHFFFAOYSA-N -1 1 270.263 3.277 20 0 CGADMM Cc1cccc(C(=O)Nc2cc(F)c([O-])cc2Cl)n1 ZINC001157893995 805901440 /nfs/dbraw/zinc/90/14/40/805901440.db2.gz XLVKWWLPTVDZLR-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM C=Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001251661630 805918212 /nfs/dbraw/zinc/91/82/12/805918212.db2.gz SSMXYNHDCOYHNU-UHFFFAOYSA-N -1 1 277.320 3.270 20 0 CGADMM [O-]c1cnc(Cl)c(-c2nnc(Cc3ccccc3)o2)c1 ZINC001253569486 806260674 /nfs/dbraw/zinc/26/06/74/806260674.db2.gz VKFDPSKKYDMDSM-UHFFFAOYSA-N -1 1 287.706 3.081 20 0 CGADMM CCCCS(=O)(=O)[N-]c1ccc(Cl)cc1C(C)=O ZINC001253854467 806316250 /nfs/dbraw/zinc/31/62/50/806316250.db2.gz CMLPWUJDIXHAFU-UHFFFAOYSA-N -1 1 289.784 3.084 20 0 CGADMM CCCc1nnc(-c2c([O-])ccc(Cl)c2OC)o1 ZINC001254019577 806330092 /nfs/dbraw/zinc/33/00/92/806330092.db2.gz UJZKAFUCRODSTM-UHFFFAOYSA-N -1 1 268.700 3.057 20 0 CGADMM [O-]c1cc(O)ccc1-c1nnc([C@@H]2C[C@H]2c2ccccc2)o1 ZINC001254513098 806432743 /nfs/dbraw/zinc/43/27/43/806432743.db2.gz NAUVNRDNXXOCPU-UONOGXRCSA-N -1 1 294.310 3.419 20 0 CGADMM [O-]c1cnccc1-c1nnc([C@H]2C[C@H]2c2ccccc2)o1 ZINC001254629964 806464109 /nfs/dbraw/zinc/46/41/09/806464109.db2.gz PBUYGZCDOKJZIO-STQMWFEESA-N -1 1 279.299 3.108 20 0 CGADMM O=C(NCc1cccc(Cl)c1F)c1ccc([O-])c(F)c1 ZINC001254992243 806523462 /nfs/dbraw/zinc/52/34/62/806523462.db2.gz XSOBMKKCKNNYAY-UHFFFAOYSA-N -1 1 297.688 3.254 20 0 CGADMM O=C(Cc1ccc(F)cc1F)Nc1cc(F)cc(F)c1[O-] ZINC001162290731 806549258 /nfs/dbraw/zinc/54/92/58/806549258.db2.gz HSERTLDKIPHHRP-UHFFFAOYSA-N -1 1 299.223 3.130 20 0 CGADMM Cc1cc(NC(=O)c2ccccc2[O-])ccc1N(C)C ZINC000123767313 798995132 /nfs/dbraw/zinc/99/51/32/798995132.db2.gz QBMGBHRSMCCMKE-UHFFFAOYSA-N -1 1 270.332 3.019 20 0 CGADMM CCCCCNC(=S)Nc1cccc(F)c1[O-] ZINC000169185631 799087219 /nfs/dbraw/zinc/08/72/19/799087219.db2.gz SRJKEIRUVAXYSW-UHFFFAOYSA-N -1 1 256.346 3.008 20 0 CGADMM Cc1oc(CNCc2csc(C)c2C)cc1C(=O)[O-] ZINC000399815872 799542030 /nfs/dbraw/zinc/54/20/30/799542030.db2.gz PZEFQVXBBMENDP-UHFFFAOYSA-N -1 1 279.361 3.254 20 0 CGADMM Cc1ccc(CNCc2cccc([O-])c2Cl)nc1 ZINC000400898585 799551445 /nfs/dbraw/zinc/55/14/45/799551445.db2.gz PQTZDUOKYGQVDH-UHFFFAOYSA-N -1 1 262.740 3.039 20 0 CGADMM [O-]c1ccc(-c2noc(COC3CCCCC3)n2)cc1F ZINC000445479361 799618821 /nfs/dbraw/zinc/61/88/21/799618821.db2.gz VQBIOPJZWRNFNB-UHFFFAOYSA-N -1 1 292.310 3.431 20 0 CGADMM Cc1ccc(CN(C)Cc2ccc(C)c(C(=O)[O-])c2)o1 ZINC000701828040 799895231 /nfs/dbraw/zinc/89/52/31/799895231.db2.gz VSOOGHISTLJMFT-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM CCN(CCC(F)(F)F)Cc1cc(C(=O)[O-])cs1 ZINC000711408459 800055273 /nfs/dbraw/zinc/05/52/73/800055273.db2.gz XYPLPRSBBITVKP-UHFFFAOYSA-N -1 1 281.299 3.221 20 0 CGADMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000717217952 800197438 /nfs/dbraw/zinc/19/74/38/800197438.db2.gz FBWRUJSUYKOYMV-GRLWKWRFSA-N -1 1 265.740 3.276 20 0 CGADMM C[C@@H]1C[C@@H]1c1nnc(-c2ccc3cccnc3c2[O-])o1 ZINC001256627773 806932548 /nfs/dbraw/zinc/93/25/48/806932548.db2.gz YSZJWTXCHWKFOS-KCJUWKMLSA-N -1 1 267.288 3.114 20 0 CGADMM CS[C@@H]1CC[C@H](N(C)C(=O)c2c([O-])cccc2Cl)C1 ZINC001116448487 802353841 /nfs/dbraw/zinc/35/38/41/802353841.db2.gz YKGDBGQFUSKSHP-VHSXEESVSA-N -1 1 299.823 3.402 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)[C@H]1CC=CCC1 ZINC001116737379 802402972 /nfs/dbraw/zinc/40/29/72/802402972.db2.gz QMZMYBLUGOUNPY-VIFPVBQESA-N -1 1 296.164 3.450 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001116754409 802406719 /nfs/dbraw/zinc/40/67/19/802406719.db2.gz SXLUATDOALUBTP-GDGBQDQQSA-N -1 1 296.164 3.139 20 0 CGADMM CC(C)CCC[C@@H](NCc1cc2cccnc2o1)C(=O)[O-] ZINC001119549651 802678434 /nfs/dbraw/zinc/67/84/34/802678434.db2.gz KEACAOXLXYWVPI-CQSZACIVSA-N -1 1 290.363 3.197 20 0 CGADMM O=c1cc(-c2cc(F)c([O-])c(F)c2)ccn1C1CCC1 ZINC001244094953 803182967 /nfs/dbraw/zinc/18/29/67/803182967.db2.gz DVCQDAQJPYGDDU-UHFFFAOYSA-N -1 1 277.270 3.224 20 0 CGADMM Cc1nc2[nH]ccc2cc1-c1cc(F)c([O-])c(F)c1 ZINC001244095849 803183566 /nfs/dbraw/zinc/18/35/66/803183566.db2.gz BMURKKAIRQWVNU-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM CCCNc1nc(-c2cc(C)ccc2[O-])ncc1C ZINC001244402324 803350821 /nfs/dbraw/zinc/35/08/21/803350821.db2.gz UWDVOFPYQKSIIQ-UHFFFAOYSA-N -1 1 257.337 3.288 20 0 CGADMM Cc1ccc([O-])c(-c2nccc(N3CCCCC3)n2)c1 ZINC001244403453 803351763 /nfs/dbraw/zinc/35/17/63/803351763.db2.gz XFAJDYXJKJPKPS-UHFFFAOYSA-N -1 1 269.348 3.148 20 0 CGADMM [O-]c1c(F)cc(-c2cccc3[nH]nnc32)cc1Cl ZINC001244502774 803408669 /nfs/dbraw/zinc/40/86/69/803408669.db2.gz UMDHJFLAKWRVQH-UHFFFAOYSA-N -1 1 263.659 3.123 20 0 CGADMM Cc1cc(-c2ccc(N3CCCC3)nn2)cc(Cl)c1[O-] ZINC001244531380 803421612 /nfs/dbraw/zinc/42/16/12/803421612.db2.gz YVQBRKFKWKDLML-UHFFFAOYSA-N -1 1 289.766 3.411 20 0 CGADMM COC(OC)c1nccnc1-c1cc(C)c([O-])c(Cl)c1 ZINC001244535852 803423739 /nfs/dbraw/zinc/42/37/39/803423739.db2.gz CEKIYQBFJPTUAC-UHFFFAOYSA-N -1 1 294.738 3.102 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cc(OCC3CC3)ncn2)c1F ZINC001244539170 803426224 /nfs/dbraw/zinc/42/62/24/803426224.db2.gz UFJMXBCOMXOZHX-UHFFFAOYSA-N -1 1 294.713 3.431 20 0 CGADMM Cc1cc(-c2cc(-c3nnco3)ccn2)cc(Cl)c1[O-] ZINC001244539589 803426291 /nfs/dbraw/zinc/42/62/91/803426291.db2.gz YBOZPDMYUGVKQY-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM COC(=O)c1c(C)ccnc1-c1c(Cl)ccc([O-])c1F ZINC001244538915 803426807 /nfs/dbraw/zinc/42/68/07/803426807.db2.gz QCMHUGVKRVNGLR-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CN(C)c1ccc(-c2c(Cl)ccc([O-])c2F)nc1 ZINC001244539136 803427332 /nfs/dbraw/zinc/42/73/32/803427332.db2.gz SOSZBIBQNQGVSX-UHFFFAOYSA-N -1 1 266.703 3.313 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cncc(OC(F)F)n2)c1F ZINC001244539757 803428422 /nfs/dbraw/zinc/42/84/22/803428422.db2.gz GPEBQOQLONTZTP-UHFFFAOYSA-N -1 1 290.628 3.243 20 0 CGADMM COc1ccnc(F)c1-c1c(Cl)ccc([O-])c1F ZINC001244542310 803429830 /nfs/dbraw/zinc/42/98/30/803429830.db2.gz ZSHCKLCWOAFMIY-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM [O-]c1ccc(Cl)c(-c2cc3n[nH]nc3cc2F)c1F ZINC001244542373 803429950 /nfs/dbraw/zinc/42/99/50/803429950.db2.gz VOFONJRJCGJMIG-UHFFFAOYSA-N -1 1 281.649 3.262 20 0 CGADMM CCN(CC)c1cc(-c2cc(Cl)ccc2[O-])ncn1 ZINC001245047871 803621408 /nfs/dbraw/zinc/62/14/08/803621408.db2.gz BXAGWQNCJQOADH-UHFFFAOYSA-N -1 1 277.755 3.349 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1cc2nccnc2cn1 ZINC001245048551 803621504 /nfs/dbraw/zinc/62/15/04/803621504.db2.gz FTHCKURZUUKZBU-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM COC(=O)c1cc(-c2cc(Cl)ccc2[O-])ncc1C ZINC001245049190 803622499 /nfs/dbraw/zinc/62/24/99/803622499.db2.gz RVFBTHUDQSIGDM-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CCOC(=O)c1ccc(-c2cc(Cl)ccc2[O-])nc1 ZINC001245051249 803623299 /nfs/dbraw/zinc/62/32/99/803623299.db2.gz FHOHJEHUTVLWTR-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM CC(C)CCn1nccc1NC(=O)c1cccc([O-])c1F ZINC001136002297 803624222 /nfs/dbraw/zinc/62/42/22/803624222.db2.gz YKULFMRTNBUFII-UHFFFAOYSA-N -1 1 291.326 3.026 20 0 CGADMM CN(C(=O)c1cccc([O-])c1F)C1CCCCCC1 ZINC001136141358 803632563 /nfs/dbraw/zinc/63/25/63/803632563.db2.gz ZHGOSBPPJNCKMZ-UHFFFAOYSA-N -1 1 265.328 3.326 20 0 CGADMM CC(C)CSCCCNC(=O)c1ccc([O-])cc1F ZINC001137581708 803741132 /nfs/dbraw/zinc/74/11/32/803741132.db2.gz BPXBRWUUEMOFGZ-UHFFFAOYSA-N -1 1 285.384 3.040 20 0 CGADMM COc1c(F)ccc(F)c1-c1c([O-])cccc1F ZINC001245655490 803889149 /nfs/dbraw/zinc/88/91/49/803889149.db2.gz DLBCSXFNXFJYDX-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM COc1ccnc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245826231 803981123 /nfs/dbraw/zinc/98/11/23/803981123.db2.gz HMSBLGSZEFWHRI-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM Cn1cnc2ccc(-c3c(F)ccc([O-])c3Cl)nc21 ZINC001245828658 803982804 /nfs/dbraw/zinc/98/28/04/803982804.db2.gz XHENQLAEIYIIIJ-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM Cc1cc(C)c(-c2c(F)ccc([O-])c2Cl)nn1 ZINC001245828187 803983027 /nfs/dbraw/zinc/98/30/27/803983027.db2.gz QBKPCIWOBACRKZ-UHFFFAOYSA-N -1 1 252.676 3.259 20 0 CGADMM Cc1noc2ncnc(-c3c(F)ccc([O-])c3Cl)c12 ZINC001245830689 803984010 /nfs/dbraw/zinc/98/40/10/803984010.db2.gz SXBGPTNRFYIBLB-UHFFFAOYSA-N -1 1 279.658 3.091 20 0 CGADMM Cc1ccc(-c2c(F)ccc([O-])c2Cl)nc1N ZINC001245830774 803985211 /nfs/dbraw/zinc/98/52/11/803985211.db2.gz YFACDOLOMMZSHW-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM Cc1nnc2cc(-c3c(F)ccc([O-])c3Cl)ccn12 ZINC001245831299 803986651 /nfs/dbraw/zinc/98/66/51/803986651.db2.gz CIXYKUXWQBVWQM-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM CCOC(=O)c1cncc(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245831614 803987010 /nfs/dbraw/zinc/98/70/10/803987010.db2.gz BJGGIDJCPSVEEZ-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM O=C1NCCc2ccc(-c3c(F)ccc([O-])c3Cl)cc21 ZINC001245832523 803988017 /nfs/dbraw/zinc/98/80/17/803988017.db2.gz JOCKEQBAQPMWPG-UHFFFAOYSA-N -1 1 291.709 3.138 20 0 CGADMM COC(=O)c1c(F)cncc1-c1c(F)ccc([O-])c1Cl ZINC001245832532 803988136 /nfs/dbraw/zinc/98/81/36/803988136.db2.gz PKUVYLUMIMYFMH-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM Cc1cc(-c2c(F)ccc([O-])c2Cl)c2ncnn2c1 ZINC001245832582 803988820 /nfs/dbraw/zinc/98/88/20/803988820.db2.gz KYKDATJITMYWLB-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM O=C([O-])c1cccc(-n2[nH]c(-c3ccc(F)cc3)cc2=O)c1 ZINC001245916830 804043013 /nfs/dbraw/zinc/04/30/13/804043013.db2.gz AARYQDUQAUJBCX-UHFFFAOYSA-N -1 1 298.273 3.082 20 0 CGADMM CCCCc1cc(=O)n(-c2ccc3ncccc3c2)[n-]1 ZINC001245926466 804054375 /nfs/dbraw/zinc/05/43/75/804054375.db2.gz JTNQNOUYHXKSRI-UHFFFAOYSA-N -1 1 267.332 3.469 20 0 CGADMM COc1cc(-n2[n-]c(CC3CCCC3)cc2=O)ccc1F ZINC001245931311 804059707 /nfs/dbraw/zinc/05/97/07/804059707.db2.gz FIIMGYNPHKVALU-UHFFFAOYSA-N -1 1 290.338 3.458 20 0 CGADMM O=c1cc(CC2CCCC2)[n-]n1-c1ccnc(Cl)c1 ZINC001245932473 804060695 /nfs/dbraw/zinc/06/06/95/804060695.db2.gz PYPBMSBTRXOSCK-UHFFFAOYSA-N -1 1 277.755 3.359 20 0 CGADMM COc1cc(-n2[n-]c(CC(C)C)cc2=O)ccc1Cl ZINC001245933458 804063365 /nfs/dbraw/zinc/06/33/65/804063365.db2.gz SUZPYXWCVCZIGG-UHFFFAOYSA-N -1 1 280.755 3.438 20 0 CGADMM Nc1ccc(-c2cc(=O)n(C3CCCCC3)[n-]2)cc1 ZINC001245937107 804067346 /nfs/dbraw/zinc/06/73/46/804067346.db2.gz KPDRTTHKKFDHAI-UHFFFAOYSA-N -1 1 257.337 3.343 20 0 CGADMM CCCCCc1cc(=O)n(-c2ccc(OC)cc2)[n-]1 ZINC001245942439 804073725 /nfs/dbraw/zinc/07/37/25/804073725.db2.gz DSMVMUZPZLCMRW-UHFFFAOYSA-N -1 1 260.337 3.319 20 0 CGADMM CCCCCc1cc(=O)n(-c2ccc(C(=O)OC)cc2)[n-]1 ZINC001245943307 804076677 /nfs/dbraw/zinc/07/66/77/804076677.db2.gz TZUNUAWBSWAANK-UHFFFAOYSA-N -1 1 288.347 3.097 20 0 CGADMM CCC(C)(C)n1[n-]c(-c2ccc(N(C)C)cc2)cc1=O ZINC001245944272 804076893 /nfs/dbraw/zinc/07/68/93/804076893.db2.gz MWAVMVFNHWLMQL-UHFFFAOYSA-N -1 1 273.380 3.467 20 0 CGADMM O=C(/C=C\c1ccsc1)Nc1ccc([O-])c(F)c1F ZINC001140657886 804485828 /nfs/dbraw/zinc/48/58/28/804485828.db2.gz ZWQOCIUQSVNEDO-RJRFIUFISA-N -1 1 281.283 3.384 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCC(C2CCC2)CC1 ZINC001165705664 807014610 /nfs/dbraw/zinc/01/46/10/807014610.db2.gz FAWHRVLKFKCYGZ-UHFFFAOYSA-N -1 1 277.339 3.184 20 0 CGADMM C[C@H]1CCN(Cc2ccc([O-])c(F)c2F)CC1(F)F ZINC001140889898 804542456 /nfs/dbraw/zinc/54/24/56/804542456.db2.gz PIWSOPXQFTWHCZ-QMMMGPOBSA-N -1 1 277.261 3.148 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@@H]2c2ccccn2)cc1F ZINC001140989899 804563530 /nfs/dbraw/zinc/56/35/30/804563530.db2.gz GFUJKFVEIGFTCR-OAHLLOKOSA-N -1 1 290.313 3.403 20 0 CGADMM C[C@@H]1c2cccn2CCN1Cc1cc(F)c([O-])c(F)c1 ZINC001140990631 804563936 /nfs/dbraw/zinc/56/39/36/804563936.db2.gz KMJDHKZTROSALC-SNVBAGLBSA-N -1 1 278.302 3.049 20 0 CGADMM C[C@H]1c2cccn2CCN1Cc1cc(F)c([O-])c(F)c1 ZINC001140990630 804564943 /nfs/dbraw/zinc/56/49/43/804564943.db2.gz KMJDHKZTROSALC-JTQLQIEISA-N -1 1 278.302 3.049 20 0 CGADMM O=C([N-][C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)C(F)(F)F ZINC001142771325 804767876 /nfs/dbraw/zinc/76/78/76/804767876.db2.gz XQLMXTWWUXZLAV-RNJOBUHISA-N -1 1 283.293 3.247 20 0 CGADMM [O-]c1cc(Nc2cc3cccnc3[nH]2)cc(F)c1F ZINC001248719787 804976867 /nfs/dbraw/zinc/97/68/67/804976867.db2.gz JFWWJQPYDJSPHD-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM [O-]c1cc(F)c(CN2CCOC3(CCCCC3)C2)c(F)c1 ZINC001144559192 805006870 /nfs/dbraw/zinc/00/68/70/805006870.db2.gz LMCYQEFCUPTEEF-UHFFFAOYSA-N -1 1 297.345 3.206 20 0 CGADMM [O-]c1cc(F)c(CN2CCc3ccc(F)cc3C2)c(F)c1 ZINC001144559137 805007448 /nfs/dbraw/zinc/00/74/48/805007448.db2.gz JLALFYVBFMMEOQ-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM [O-]c1cc(F)c(CN2CCc3c(F)cccc3C2)cc1F ZINC001144659261 805028623 /nfs/dbraw/zinc/02/86/23/805028623.db2.gz AQMIVFQJRBGPSK-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC001144746026 805049925 /nfs/dbraw/zinc/04/99/25/805049925.db2.gz SABGTBIGTMYLRO-WCQYABFASA-N -1 1 279.355 3.476 20 0 CGADMM COc1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC001166427749 807045222 /nfs/dbraw/zinc/04/52/22/807045222.db2.gz LCDSKMVWNJRKFS-UHFFFAOYSA-N -1 1 286.331 3.172 20 0 CGADMM CC[C@H](C)C[C@H](C)NC(=O)c1cccc([O-])c1F ZINC001147861426 805153716 /nfs/dbraw/zinc/15/37/16/805153716.db2.gz QSIHZBXYHLPXFW-UWVGGRQHSA-N -1 1 253.317 3.086 20 0 CGADMM CC(C)c1ccc(C[C@H](C)NC(=O)c2ncccc2[O-])cc1 ZINC001151006108 805277790 /nfs/dbraw/zinc/27/77/90/805277790.db2.gz VZJIYPBWGNSSKQ-ZDUSSCGKSA-N -1 1 298.386 3.272 20 0 CGADMM O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc([O-])cc1F ZINC001151519960 805293321 /nfs/dbraw/zinc/29/33/21/805293321.db2.gz MKGGPALUWDMACR-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM COc1ccc(C(=O)Cc2cccc([O-])c2Cl)cc1 ZINC001249903903 805293696 /nfs/dbraw/zinc/29/36/96/805293696.db2.gz IGXRUGXOESKLKL-UHFFFAOYSA-N -1 1 276.719 3.480 20 0 CGADMM Cc1csc(Nc2cc([O-])c(F)c(F)c2F)n1 ZINC001249958507 805325151 /nfs/dbraw/zinc/32/51/51/805325151.db2.gz OUATWTRFSQWBGV-UHFFFAOYSA-N -1 1 260.240 3.318 20 0 CGADMM [O-]c1cc(Nc2cc(F)ncc2F)c(F)c(F)c1F ZINC001249961054 805328179 /nfs/dbraw/zinc/32/81/79/805328179.db2.gz DBBYHCCYIYRIJH-UHFFFAOYSA-N -1 1 276.164 3.226 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2C[C@@H](C)CC(C)(C)C2)c1 ZINC001152326902 805344658 /nfs/dbraw/zinc/34/46/58/805344658.db2.gz BVHIPMFVYMCQSA-LBPRGKRZSA-N -1 1 289.375 3.021 20 0 CGADMM [O-]c1cc(F)c(Nc2ncccc2F)cc1Cl ZINC001250021062 805371486 /nfs/dbraw/zinc/37/14/86/805371486.db2.gz XODXVIJRKYQSJC-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])ccc2ccccc21)c1ccno1 ZINC001153510173 805400211 /nfs/dbraw/zinc/40/02/11/805400211.db2.gz KPTYKCQWDVSWTQ-SNVBAGLBSA-N -1 1 282.299 3.024 20 0 CGADMM Cc1cc(NC(=O)c2c([O-])ccc3ccccc32)cc(=O)o1 ZINC001153499077 805400689 /nfs/dbraw/zinc/40/06/89/805400689.db2.gz NHXITIPQQARVPT-UHFFFAOYSA-N -1 1 295.294 3.059 20 0 CGADMM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc([O-])cn1 ZINC001153783697 805415174 /nfs/dbraw/zinc/41/51/74/805415174.db2.gz MQJHPKLFWWIXGM-SJCJKPOMSA-N -1 1 296.370 3.231 20 0 CGADMM CC(C)(C)n1cc(Nc2ccc(F)c(F)c2[O-])cn1 ZINC001212573594 815075033 /nfs/dbraw/zinc/07/50/33/815075033.db2.gz NGNBNJZUGBXTAW-UHFFFAOYSA-N -1 1 267.279 3.366 20 0 CGADMM CCCC1(CCC)CCCN1C(=O)c1ncccc1[O-] ZINC001154123964 805435585 /nfs/dbraw/zinc/43/55/85/805435585.db2.gz LMYZQYLLUVLRJM-UHFFFAOYSA-N -1 1 276.380 3.362 20 0 CGADMM Oc1cc([N-]c2nnc(-c3ccco3)o2)ccc1Cl ZINC001212588530 815079038 /nfs/dbraw/zinc/07/90/38/815079038.db2.gz SNDQMGKXXXNAKV-UHFFFAOYSA-N -1 1 277.667 3.432 20 0 CGADMM Nc1cnc(N(c2ccc(Cl)c([O-])c2)C2CCC2)nc1 ZINC001212591309 815079885 /nfs/dbraw/zinc/07/98/85/815079885.db2.gz GDZAUARQHUZNNN-UHFFFAOYSA-N -1 1 290.754 3.108 20 0 CGADMM Cn1cnc2cc(Nc3c(F)ccc([O-])c3Cl)cnc21 ZINC001250229029 805505015 /nfs/dbraw/zinc/50/50/15/805505015.db2.gz SDKWTXOZZDKTEX-UHFFFAOYSA-N -1 1 292.701 3.210 20 0 CGADMM Cc1nccc(Nc2c(F)ccc([O-])c2Cl)n1 ZINC001250228369 805505471 /nfs/dbraw/zinc/50/54/71/805505471.db2.gz ZAJRZZUZMCVVFZ-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM Cc1c2ccc(N)cc2nn1-c1ccc(Cl)c([O-])c1 ZINC001212593503 815081497 /nfs/dbraw/zinc/08/14/97/815081497.db2.gz UWYNRDPWQJQQCE-UHFFFAOYSA-N -1 1 273.723 3.275 20 0 CGADMM COc1cc(Cc2c(F)cc([O-])cc2F)cc(OC)c1 ZINC001250299481 805553396 /nfs/dbraw/zinc/55/33/96/805553396.db2.gz OCBRAFWGMNTAAI-UHFFFAOYSA-N -1 1 280.270 3.278 20 0 CGADMM CCC(CC)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001257294879 807090851 /nfs/dbraw/zinc/09/08/51/807090851.db2.gz ZYAVPMQAMMEWJY-UHFFFAOYSA-N -1 1 259.353 3.487 20 0 CGADMM Brc1nnc([N-]c2cccnc2C2CC2)s1 ZINC001212735050 815118425 /nfs/dbraw/zinc/11/84/25/815118425.db2.gz BGRCZPKAIUHUGD-UHFFFAOYSA-N -1 1 297.181 3.317 20 0 CGADMM CC(C)c1cccc(F)c1[N-]S(=O)(=O)c1cccnc1 ZINC001259608999 807681907 /nfs/dbraw/zinc/68/19/07/807681907.db2.gz FAEZDQFVISZIAN-UHFFFAOYSA-N -1 1 294.351 3.145 20 0 CGADMM O=S(=O)(CC1CCCCC1)[N-]c1cccc(C2CC2)n1 ZINC001259615448 807682592 /nfs/dbraw/zinc/68/25/92/807682592.db2.gz YGCZSNCXVJLAIO-UHFFFAOYSA-N -1 1 294.420 3.281 20 0 CGADMM O=S(=O)([N-]c1cccc2ncsc21)C1CCCCC1 ZINC001259814871 807689498 /nfs/dbraw/zinc/68/94/98/807689498.db2.gz YTEZLNQLVAFDDW-UHFFFAOYSA-N -1 1 296.417 3.371 20 0 CGADMM CCC(CC)[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260277697 807696206 /nfs/dbraw/zinc/69/62/06/807696206.db2.gz UPJZFNWZKWARRD-UHFFFAOYSA-N -1 1 297.754 3.085 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1cccc(F)c1OC(C)C ZINC001260744083 807704565 /nfs/dbraw/zinc/70/45/65/807704565.db2.gz UULXKSSFXZUTKI-JTQLQIEISA-N -1 1 289.372 3.153 20 0 CGADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@H]1CC[C@@H](C)C1 ZINC001170124764 807768503 /nfs/dbraw/zinc/76/85/03/807768503.db2.gz HQTHJSCLTHHCLI-YPMHNXCESA-N -1 1 271.364 3.487 20 0 CGADMM Cc1cnc(F)cc1Nc1ccc(F)c(F)c1[O-] ZINC001212852930 815158359 /nfs/dbraw/zinc/15/83/59/815158359.db2.gz RNZFEYKFZNSRQS-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cc2c(s1)CCC2 ZINC001171632769 808109898 /nfs/dbraw/zinc/10/98/98/808109898.db2.gz OFLWOQOUAQEMAJ-UHFFFAOYSA-N -1 1 277.320 3.334 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCc2ccccc2C1 ZINC001171638564 808110574 /nfs/dbraw/zinc/11/05/74/808110574.db2.gz YWJAEWXXNQSKSH-ZDUSSCGKSA-N -1 1 285.318 3.275 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc(F)c1 ZINC001173836551 808700060 /nfs/dbraw/zinc/70/00/60/808700060.db2.gz KPGMBRPVKOLAOW-UHFFFAOYSA-N -1 1 271.247 3.381 20 0 CGADMM CSc1nc(Nc2ccc3[nH]ccc3c2)cc(=O)[n-]1 ZINC001173937149 808773522 /nfs/dbraw/zinc/77/35/22/808773522.db2.gz MRAHCAVUUVKBON-UHFFFAOYSA-N -1 1 272.333 3.129 20 0 CGADMM CC(=O)Nc1ccccc1[N-]c1nnc(C(C)(C)C)o1 ZINC001173992227 808808698 /nfs/dbraw/zinc/80/86/98/808808698.db2.gz QUNYZOIEZNOCLR-UHFFFAOYSA-N -1 1 274.324 3.069 20 0 CGADMM COc1c(F)ccc(F)c1Nc1ccnc(Cl)c1[O-] ZINC001174662542 809122979 /nfs/dbraw/zinc/12/29/79/809122979.db2.gz XALJWUICTBUDAX-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CSc1nc(Nc2ccc(F)c(F)c2F)cc(=O)[n-]1 ZINC001174969181 809221927 /nfs/dbraw/zinc/22/19/27/809221927.db2.gz JBRIHHWMXMYMBR-UHFFFAOYSA-N -1 1 287.266 3.065 20 0 CGADMM [O-]c1cc(F)cnc1Nc1c(F)cc(F)cc1F ZINC001175147886 809288775 /nfs/dbraw/zinc/28/87/75/809288775.db2.gz YFZNOLPZHACUPL-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM CC(C)(C)c1cc(C(=O)[N-]c2cc(C(C)(C)F)on2)no1 ZINC001289939423 809396845 /nfs/dbraw/zinc/39/68/45/809396845.db2.gz LPKLFEZKNUSEJY-UHFFFAOYSA-N -1 1 295.314 3.417 20 0 CGADMM Cn1ncc2cc(Nc3cc([O-])c(F)c(F)c3)ccc21 ZINC001175420794 809398693 /nfs/dbraw/zinc/39/86/93/809398693.db2.gz AAPBZRGHUQAGDD-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM c1ncc([N-]c2nc(-c3ccncc3)cs2)s1 ZINC001175495907 809430459 /nfs/dbraw/zinc/43/04/59/809430459.db2.gz PKNFQYVBLBKNEF-UHFFFAOYSA-N -1 1 260.347 3.405 20 0 CGADMM C[C@@H]1CC[C@@H](CNC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001297382980 809517221 /nfs/dbraw/zinc/51/72/21/809517221.db2.gz YWOSRYKUCLFBKZ-VXGBXAGGSA-N -1 1 284.359 3.106 20 0 CGADMM CC[C@H]1CCC[C@H]1CNC(=O)c1c([O-])cccc1F ZINC001298058730 809526972 /nfs/dbraw/zinc/52/69/72/809526972.db2.gz MCAWTLSMEBMFND-QWRGUYRKSA-N -1 1 265.328 3.087 20 0 CGADMM CC[C@H]1CCC[C@H]1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001298061132 809527415 /nfs/dbraw/zinc/52/74/15/809527415.db2.gz WQYXNYQPEKDMGU-STQMWFEESA-N -1 1 298.386 3.497 20 0 CGADMM O=C(Nc1ccccc1OCCF)c1ccc([O-])c(F)c1 ZINC001298327914 809532072 /nfs/dbraw/zinc/53/20/72/809532072.db2.gz KGOGBFILYPWINO-UHFFFAOYSA-N -1 1 293.269 3.132 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1Cc2ccc(Cl)cc2C1 ZINC001299171482 809545104 /nfs/dbraw/zinc/54/51/04/809545104.db2.gz PFGGZKQAGHMALE-UHFFFAOYSA-N -1 1 291.709 3.341 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCCCC1(F)F ZINC001299580540 809551548 /nfs/dbraw/zinc/55/15/48/809551548.db2.gz IHVAABMMYIQEGD-MRVPVSSYSA-N -1 1 291.244 3.434 20 0 CGADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)[C@H]1CC2CCC1CC2 ZINC001300206141 809563456 /nfs/dbraw/zinc/56/34/56/809563456.db2.gz DRPIUQIZESBKNB-DLOFLVKXSA-N -1 1 291.366 3.476 20 0 CGADMM COc1cccc([N-]c2nonc2C2CC2)c1Cl ZINC001175894041 809564744 /nfs/dbraw/zinc/56/47/44/809564744.db2.gz KDJLGPFOGDXZMX-UHFFFAOYSA-N -1 1 265.700 3.353 20 0 CGADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1c[nH]cn1 ZINC001301159486 809579871 /nfs/dbraw/zinc/57/98/71/809579871.db2.gz VEEWEZLABXHRQE-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM Cc1cccc(-c2noc(-c3cnc(C(F)(F)F)[n-]3)n2)c1 ZINC001213591637 815307834 /nfs/dbraw/zinc/30/78/34/815307834.db2.gz JVQXTSFKKYKXRH-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM Cc1cccc(-c2noc(-c3c[n-]c(C(F)(F)F)n3)n2)c1 ZINC001213591637 815307838 /nfs/dbraw/zinc/30/78/38/815307838.db2.gz JVQXTSFKKYKXRH-UHFFFAOYSA-N -1 1 294.236 3.454 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc(O)cc1F ZINC001176417912 809691376 /nfs/dbraw/zinc/69/13/76/809691376.db2.gz PGJLYMVLCNMNTE-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM Cc1nc2ccc(F)cn2c1Nc1csc(C(=O)[O-])c1 ZINC001176437738 809697535 /nfs/dbraw/zinc/69/75/35/809697535.db2.gz ZRPCYGUJFXQYDF-UHFFFAOYSA-N -1 1 291.307 3.285 20 0 CGADMM CSc1nc(Nc2ccccc2Cl)cc(=O)[n-]1 ZINC001176551515 809716525 /nfs/dbraw/zinc/71/65/25/809716525.db2.gz TYBIEDNLALHUTI-UHFFFAOYSA-N -1 1 267.741 3.301 20 0 CGADMM CSc1nc(Nc2cc(O)cc(Cl)c2)cc(=O)[n-]1 ZINC001176621283 809732804 /nfs/dbraw/zinc/73/28/04/809732804.db2.gz CPCLIDSYCQJNEF-UHFFFAOYSA-N -1 1 283.740 3.007 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ncc(F)cc2F)c1F ZINC001176663114 809737043 /nfs/dbraw/zinc/73/70/43/809737043.db2.gz BITXOYDVTNWULU-UHFFFAOYSA-N -1 1 276.164 3.226 20 0 CGADMM COc1ccc(C)nc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663336 809737057 /nfs/dbraw/zinc/73/70/57/809737057.db2.gz FPACWILEONNGLN-UHFFFAOYSA-N -1 1 284.237 3.265 20 0 CGADMM CC(=O)c1cc(Nc2c(F)cc(F)c([O-])c2F)cnc1C ZINC001176669159 809738130 /nfs/dbraw/zinc/73/81/30/809738130.db2.gz FGBMZLDWKIUOGC-UHFFFAOYSA-N -1 1 296.248 3.459 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccnc(F)c2)c1F ZINC001176663739 809738302 /nfs/dbraw/zinc/73/83/02/809738302.db2.gz LHONYYDFPZFMSE-UHFFFAOYSA-N -1 1 258.174 3.087 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccn3nccc3c2)c1F ZINC001176664542 809738789 /nfs/dbraw/zinc/73/87/89/809738789.db2.gz OXKAMRRGGGSCDE-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM Cn1cc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2n1 ZINC001176671462 809739731 /nfs/dbraw/zinc/73/97/31/809739731.db2.gz DSOJWARMFQPMCO-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM Cc1cnc(C(=O)Nc2cc(F)c([O-])cc2Cl)c(C)c1 ZINC001179660352 809935617 /nfs/dbraw/zinc/93/56/17/809935617.db2.gz QVILTTXRUROICG-UHFFFAOYSA-N -1 1 294.713 3.449 20 0 CGADMM O=C(Nc1n[nH]cc1-c1ccccc1)c1cccc([O-])c1F ZINC001180155538 809980349 /nfs/dbraw/zinc/98/03/49/809980349.db2.gz DSZHFCZCOVQKBX-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])[C@H]1C[C@]1(F)Cl ZINC001181669721 810065593 /nfs/dbraw/zinc/06/55/93/810065593.db2.gz VECGYTSDCDTBDD-LHLIQPBNSA-N -1 1 297.635 3.274 20 0 CGADMM Cc1c(C(=O)Nc2c[n-][nH]c2=O)oc2c1c(C)ccc2C ZINC001183561418 810152991 /nfs/dbraw/zinc/15/29/91/810152991.db2.gz BCDORHBVXJWHSK-UHFFFAOYSA-N -1 1 285.303 3.039 20 0 CGADMM Cc1cc(Cl)c(NC(=O)c2ccc([O-])c(F)c2)cc1O ZINC001186226873 810321239 /nfs/dbraw/zinc/32/12/39/810321239.db2.gz SDRUJUOIUWFXHH-UHFFFAOYSA-N -1 1 295.697 3.451 20 0 CGADMM C=Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC001186225425 810321669 /nfs/dbraw/zinc/32/16/69/810321669.db2.gz CUWYIHGCIZOBJW-UHFFFAOYSA-N -1 1 257.264 3.427 20 0 CGADMM Cc1cccc(C2(NC(=O)c3ccc([O-])c(F)c3)CC2)c1 ZINC001186243001 810322961 /nfs/dbraw/zinc/32/29/61/810322961.db2.gz UDILGPILWZYBID-UHFFFAOYSA-N -1 1 285.318 3.259 20 0 CGADMM O=C(NCCc1ccc(F)cc1)Nc1cccc(F)c1[O-] ZINC001186275546 810325309 /nfs/dbraw/zinc/32/53/09/810325309.db2.gz NLORXMXPSGFZRG-UHFFFAOYSA-N -1 1 292.285 3.035 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cc(F)cc(F)c1 ZINC001186339857 810329005 /nfs/dbraw/zinc/32/90/05/810329005.db2.gz QQFHMQSRINMHDU-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM O=C([N-]c1cnoc1)c1ccc(C(F)(F)F)c(F)c1F ZINC001186460760 810338988 /nfs/dbraw/zinc/33/89/88/810338988.db2.gz SAXQJOUZUNXHHE-UHFFFAOYSA-N -1 1 292.163 3.224 20 0 CGADMM Cc1cnc(C)c(NCc2ccc([O-])c(Cl)c2)n1 ZINC001187510329 810402255 /nfs/dbraw/zinc/40/22/55/810402255.db2.gz YDHWPXKDPZKHDI-UHFFFAOYSA-N -1 1 263.728 3.065 20 0 CGADMM Cc1ccncc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001188239563 810470138 /nfs/dbraw/zinc/47/01/38/810470138.db2.gz UVUHWQJVCUVKPG-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM O=S(=O)([N-]c1ccccc1)c1ccc(C2CC2)cc1 ZINC001190460024 810629024 /nfs/dbraw/zinc/62/90/24/810629024.db2.gz BMTFOKKMMAFUBW-UHFFFAOYSA-N -1 1 273.357 3.365 20 0 CGADMM Cc1cccc(CNC(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001191001804 810663316 /nfs/dbraw/zinc/66/33/16/810663316.db2.gz VBFZTFAMJZSNEH-UHFFFAOYSA-N -1 1 292.285 3.301 20 0 CGADMM Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2[O-])ccn1C ZINC001191841907 810750030 /nfs/dbraw/zinc/75/00/30/810750030.db2.gz AHERLYHSICTOAL-UHFFFAOYSA-N -1 1 298.264 3.310 20 0 CGADMM CCCCCCNC(=O)Nc1c(F)cc([O-])cc1F ZINC001191978796 810762118 /nfs/dbraw/zinc/76/21/18/810762118.db2.gz YJCUBSKMBJIFRX-UHFFFAOYSA-N -1 1 272.295 3.372 20 0 CGADMM O=S(=O)(CC1CCC1)[N-]c1ccccc1C(F)(F)F ZINC001193467794 810892596 /nfs/dbraw/zinc/89/25/96/810892596.db2.gz JNZBYYXYODOONU-UHFFFAOYSA-N -1 1 293.310 3.247 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1F)OC1CCCC1 ZINC001193566227 810909972 /nfs/dbraw/zinc/90/99/72/810909972.db2.gz UHJVESNNWLRNOK-UHFFFAOYSA-N -1 1 257.236 3.162 20 0 CGADMM O=C1NCc2c1cccc2Nc1cc(F)c([O-])c(Cl)c1 ZINC001214486373 815416410 /nfs/dbraw/zinc/41/64/10/815416410.db2.gz DCORXKUAVMFCLO-UHFFFAOYSA-N -1 1 292.697 3.172 20 0 CGADMM COC(=O)c1occc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482741 815416641 /nfs/dbraw/zinc/41/66/41/815416641.db2.gz LJTPEWYWEMHDNQ-UHFFFAOYSA-N -1 1 285.658 3.308 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2cc(F)cc3cccnc32)n1 ZINC001195326020 811242901 /nfs/dbraw/zinc/24/29/01/811242901.db2.gz KEVIODLUOIGVSS-UHFFFAOYSA-N -1 1 297.289 3.035 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2c(C)c(C)c(N)c(C)c2C)n1 ZINC001195329454 811243258 /nfs/dbraw/zinc/24/32/58/811243258.db2.gz CTHLSMXWNMYWNT-UHFFFAOYSA-N -1 1 299.374 3.164 20 0 CGADMM CC(C)(C[N-]S(=O)(=O)c1sccc1Cl)C1CC1 ZINC001195418158 811253382 /nfs/dbraw/zinc/25/33/82/811253382.db2.gz OEYVVRICYAEMTO-UHFFFAOYSA-N -1 1 293.841 3.116 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc2sc(C)nc2c1 ZINC001195449528 811256079 /nfs/dbraw/zinc/25/60/79/811256079.db2.gz YSZDZUKXPIPAOR-UHFFFAOYSA-N -1 1 295.389 3.048 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1ccc(OC)c(C(C)C)c1 ZINC001195491163 811262398 /nfs/dbraw/zinc/26/23/98/811262398.db2.gz UBDZNOVGDUQWDZ-UHFFFAOYSA-N -1 1 296.392 3.262 20 0 CGADMM Oc1c(Cl)ccc([N-]c2nonc2C2CC2)c1F ZINC001214798471 815452564 /nfs/dbraw/zinc/45/25/64/815452564.db2.gz TWJATPQYJSGCGF-UHFFFAOYSA-N -1 1 269.663 3.189 20 0 CGADMM Nc1ccc(F)c(F)c1Nc1cc(F)c([O-])cc1F ZINC001215571989 815537025 /nfs/dbraw/zinc/53/70/25/815537025.db2.gz RJGFRIDNYBFKRP-UHFFFAOYSA-N -1 1 272.201 3.274 20 0 CGADMM O=C1Cc2cc(F)cc(Nc3cc(F)c([O-])cc3F)c2N1 ZINC001215573344 815538998 /nfs/dbraw/zinc/53/89/98/815538998.db2.gz GIGNNSYMSFQYSF-UHFFFAOYSA-N -1 1 294.232 3.048 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cc(F)cc(Cl)c3)no2)nn1 ZINC001205294259 812936544 /nfs/dbraw/zinc/93/65/44/812936544.db2.gz QKYVRDYRFBROKT-UHFFFAOYSA-N -1 1 292.657 3.253 20 0 CGADMM CC(C)(C)Cc1cc([N-]c2cnn3cccnc23)on1 ZINC001205946436 813142761 /nfs/dbraw/zinc/14/27/61/813142761.db2.gz WNMVMXXYOFROMU-UHFFFAOYSA-N -1 1 271.324 3.050 20 0 CGADMM O=C([O-])c1cc(-c2cc(N3CCCCC3)ccn2)cs1 ZINC001206257085 813258284 /nfs/dbraw/zinc/25/82/84/813258284.db2.gz PVPJJHFUFUQPJY-UHFFFAOYSA-N -1 1 288.372 3.499 20 0 CGADMM Cc1c2[nH]cnc2ccc1-c1csc(C(=O)[O-])c1 ZINC001206278427 813268604 /nfs/dbraw/zinc/26/86/04/813268604.db2.gz FXWJROUYCXSJFP-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM COc1cc(C)c(Nc2c([O-])cc(F)cc2F)cn1 ZINC001209872158 814180245 /nfs/dbraw/zinc/18/02/45/814180245.db2.gz VNPIKIFRLGAUNY-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM [O-]c1c(F)c(F)ccc1Nc1ccc(OC(F)F)nc1 ZINC001210306213 814395327 /nfs/dbraw/zinc/39/53/27/814395327.db2.gz XBNFCXGMZULAOY-UHFFFAOYSA-N -1 1 288.200 3.410 20 0 CGADMM Cc1ccc(CO)cc1Nc1ccc(F)c(F)c1[O-] ZINC001210682325 814584722 /nfs/dbraw/zinc/58/47/22/814584722.db2.gz SXYSZZKYMQBIGJ-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM CC(=O)Nc1c(C)ccnc1-c1cccc([O-])c1Cl ZINC001242799996 823136470 /nfs/dbraw/zinc/13/64/70/823136470.db2.gz BFKBTGYMTBCUPN-UHFFFAOYSA-N -1 1 276.723 3.374 20 0 CGADMM O=c1c(-c2cccc([O-])c2Cl)cccn1CC1CC1 ZINC001242802185 823137902 /nfs/dbraw/zinc/13/79/02/823137902.db2.gz VGXYRXZIEORBHF-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM COc1cc(-c2cccc([O-])c2Cl)c(OC)cn1 ZINC001242802681 823137917 /nfs/dbraw/zinc/13/79/17/823137917.db2.gz FIJZPJMOQPYGNW-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(OC(F)F)nc2)cc1F ZINC001211349242 814883126 /nfs/dbraw/zinc/88/31/26/814883126.db2.gz BGXBCTPZRVBLPR-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM [O-]c1cc(F)c(-c2cccc(C3COC3)c2)cc1F ZINC001211349208 814883138 /nfs/dbraw/zinc/88/31/38/814883138.db2.gz AJHLWBOBGJLUSN-UHFFFAOYSA-N -1 1 262.255 3.451 20 0 CGADMM COC(=O)c1cc(OC)ccc1-c1cc(F)c([O-])cc1F ZINC001211350892 814883841 /nfs/dbraw/zinc/88/38/41/814883841.db2.gz XJWJXKFRBXPGTO-UHFFFAOYSA-N -1 1 294.253 3.133 20 0 CGADMM COC(=O)c1ccc(F)cc1Nc1ccc(F)c(F)c1[O-] ZINC001211359274 814885635 /nfs/dbraw/zinc/88/56/35/814885635.db2.gz SJWYUDUDODQPPJ-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM Cn1ccc2c1nccc2-c1cc(F)c([O-])cc1F ZINC001211359791 814886584 /nfs/dbraw/zinc/88/65/84/814886584.db2.gz MGYCYSBZVZDMHR-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CSc1cccc(F)c1[N-]c1nc(C)ns1 ZINC001215822129 815605211 /nfs/dbraw/zinc/60/52/11/815605211.db2.gz QRRQENWOAJHUNV-UHFFFAOYSA-N -1 1 255.343 3.451 20 0 CGADMM CN(C)c1ccc(-c2noc(-c3ccc(F)c([O-])c3)n2)cc1 ZINC001215842512 815612000 /nfs/dbraw/zinc/61/20/00/815612000.db2.gz LPMMHPYMFNGRCQ-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM Cc1cccc2c1nc(N)n2-c1cc(C)c(C(=O)[O-])c(C)c1 ZINC001216308172 815774290 /nfs/dbraw/zinc/77/42/90/815774290.db2.gz QVJPFLQPGXEKKC-UHFFFAOYSA-N -1 1 295.342 3.231 20 0 CGADMM CSc1nc(Nc2ccc(O)cc2Cl)cc(=O)[n-]1 ZINC001216425723 815824507 /nfs/dbraw/zinc/82/45/07/815824507.db2.gz DNVAHSVMTPLJJA-UHFFFAOYSA-N -1 1 283.740 3.007 20 0 CGADMM COc1c(C(=O)[O-])cccc1-c1nc(C)cc2[nH]ccc21 ZINC001242919950 823171978 /nfs/dbraw/zinc/17/19/78/823171978.db2.gz BBPMUUOJSJQUCK-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM Cn1ccc2c1ccnc2-c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001222658713 816493927 /nfs/dbraw/zinc/49/39/27/816493927.db2.gz PTAYKYYBTOUTCZ-UHFFFAOYSA-N -1 1 292.338 3.357 20 0 CGADMM C[C@@H]1C[C@H](OCCCC[P@](=O)([O-])O)CC(C)(C)C1 ZINC001225018761 816932223 /nfs/dbraw/zinc/93/22/23/816932223.db2.gz HGRNYGQIVQDAJZ-NEPJUHHUSA-N -1 1 278.329 3.176 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CCCC[C@@H]1F ZINC001225619984 817116073 /nfs/dbraw/zinc/11/60/73/817116073.db2.gz YXVUNOSTNRKANH-QWHCGFSZSA-N -1 1 252.285 3.254 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H]1CC[C@@H](C)CC1 ZINC001225674953 817136975 /nfs/dbraw/zinc/13/69/75/817136975.db2.gz POLDPSJIAXOIJI-WVSHTKLVSA-N -1 1 264.321 3.258 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCC[C@@H](C)C1 ZINC001225679958 817139788 /nfs/dbraw/zinc/13/97/88/817139788.db2.gz SUGMURUVWVUGHD-BXKDBHETSA-N -1 1 264.321 3.258 20 0 CGADMM C[C@H](Oc1cc(=O)[n-]c(=S)[nH]1)c1csc(Cl)c1 ZINC001225766994 817171320 /nfs/dbraw/zinc/17/13/20/817171320.db2.gz WYQUWUULQKFQIY-YFKPBYRVSA-N -1 1 288.781 3.326 20 0 CGADMM CCC[C@@H](C)[C@@H](Oc1nc(=O)[n-]cc1C(C)=O)C(C)C ZINC001226240640 817307676 /nfs/dbraw/zinc/30/76/76/817307676.db2.gz NDRIJEOXSJJAIC-MFKMUULPSA-N -1 1 280.368 3.224 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H](C)c1ccccc1F ZINC001226242057 817308113 /nfs/dbraw/zinc/30/81/13/817308113.db2.gz HBWYYDCLCSIBIK-QMMMGPOBSA-N -1 1 280.324 3.053 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H](C)CCC=C(C)C ZINC001226245467 817309968 /nfs/dbraw/zinc/30/99/68/817309968.db2.gz JXVWFHKSOACCBR-JTQLQIEISA-N -1 1 268.382 3.288 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@H]2CCc3cc(F)ccc32)c1Cl ZINC001227113284 817561944 /nfs/dbraw/zinc/56/19/44/817561944.db2.gz UAHBKXHZPYYDPR-NSHDSACASA-N -1 1 294.713 3.349 20 0 CGADMM COc1cc2[nH]cnc2cc1-c1cc(C)cc(C(=O)[O-])c1 ZINC001243177322 823274751 /nfs/dbraw/zinc/27/47/51/823274751.db2.gz HHAWCFQMCBBNPL-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM CCC[C@H](CC)Oc1cc([O-])ccc1C(=O)COC ZINC001227169768 817578850 /nfs/dbraw/zinc/57/88/50/817578850.db2.gz ZMDUEQBHWCYPEK-LBPRGKRZSA-N -1 1 266.337 3.179 20 0 CGADMM C[C@H]1COC[C@@H]1Oc1cc(Cl)c([O-])cc1Cl ZINC001227641598 817686172 /nfs/dbraw/zinc/68/61/72/817686172.db2.gz PZCSPIJCCZSNHN-KGFZYKRKSA-N -1 1 263.120 3.113 20 0 CGADMM S=c1nc2cnccc2c(OC2Cc3ccccc3C2)[n-]1 ZINC001227882202 817742378 /nfs/dbraw/zinc/74/23/78/817742378.db2.gz UEVJKQUMBWQKGF-UHFFFAOYSA-N -1 1 295.367 3.234 20 0 CGADMM CSc1nc(O[C@H](C)c2ccccc2F)cc(=O)[n-]1 ZINC001228090099 817809216 /nfs/dbraw/zinc/80/92/16/817809216.db2.gz IUZIIVROGDQQFO-MRVPVSSYSA-N -1 1 280.324 3.183 20 0 CGADMM COC[C@H](C)Oc1cc([O-])ccc1C(=O)c1ccccc1 ZINC001228183079 817834912 /nfs/dbraw/zinc/83/49/12/817834912.db2.gz KNMMVSPKHBEEJR-LBPRGKRZSA-N -1 1 286.327 3.037 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCC[C@@H]1C ZINC001228557787 817937924 /nfs/dbraw/zinc/93/79/24/817937924.db2.gz CFDIVKWOGADRCP-ZANVPECISA-N -1 1 264.321 3.258 20 0 CGADMM S=c1nc2ccccc2c(OC2Cc3ccccc3C2)[n-]1 ZINC001228760547 818001698 /nfs/dbraw/zinc/00/16/98/818001698.db2.gz PBMQNHWZMBWZSE-UHFFFAOYSA-N -1 1 294.379 3.465 20 0 CGADMM C[C@@H](Oc1cccnc1-c1ncccc1[O-])c1cccnc1 ZINC001231200663 818056058 /nfs/dbraw/zinc/05/60/58/818056058.db2.gz RVDZTZKRTXZUMB-GFCCVEGCSA-N -1 1 293.326 3.384 20 0 CGADMM C[C@H]1CCC[C@H]1Oc1cccnc1-c1ncccc1[O-] ZINC001231202747 818057653 /nfs/dbraw/zinc/05/76/53/818057653.db2.gz XLSMDWQOXVZQBI-WCQYABFASA-N -1 1 270.332 3.417 20 0 CGADMM CN(CC(=O)c1ccccc1)Cc1ccc(Cl)c([O-])c1 ZINC001231736863 818163740 /nfs/dbraw/zinc/16/37/40/818163740.db2.gz LHMWRPJISCJUMV-UHFFFAOYSA-N -1 1 289.762 3.360 20 0 CGADMM [O-]c1c(F)ccc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c1F ZINC001232933170 818476124 /nfs/dbraw/zinc/47/61/24/818476124.db2.gz GDUFKCSWKPJALE-AOOOYVTPSA-N -1 1 289.272 3.148 20 0 CGADMM [O-]c1c(F)ccc(CN2CCc3c(F)cccc3C2)c1F ZINC001232936759 818477261 /nfs/dbraw/zinc/47/72/61/818477261.db2.gz FVJRHAZBLMYVHT-UHFFFAOYSA-N -1 1 293.288 3.368 20 0 CGADMM [O-]c1c(F)ccc(C[N@H+]2CCC3(CCC3)C2)c1F ZINC001232936616 818477567 /nfs/dbraw/zinc/47/75/67/818477567.db2.gz DSSIJZBZXUARKO-UHFFFAOYSA-N -1 1 253.292 3.046 20 0 CGADMM [O-]c1cc(CN2CCc3ccccc3C2)cc(F)c1F ZINC001232969493 818486008 /nfs/dbraw/zinc/48/60/08/818486008.db2.gz QNSVKSCIPHNMBY-UHFFFAOYSA-N -1 1 275.298 3.229 20 0 CGADMM C[C@@]1(F)CCCCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232970262 818487877 /nfs/dbraw/zinc/48/78/77/818487877.db2.gz HVJLTFMPLQPWDT-CQSZACIVSA-N -1 1 273.298 3.385 20 0 CGADMM COC(=O)c1cc(F)cc(-c2ccc([O-])c(F)c2F)c1 ZINC001243342550 823357789 /nfs/dbraw/zinc/35/77/89/823357789.db2.gz IEPDGOUQHKWTTA-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM [O-]c1ccc(-c2ccc(-c3ncccn3)cn2)c(F)c1F ZINC001243342240 823358079 /nfs/dbraw/zinc/35/80/79/823358079.db2.gz GEWKYMLGDIOPLP-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM CCc1nc(OC)ccc1-c1ccc([O-])c(F)c1F ZINC001243343611 823358221 /nfs/dbraw/zinc/35/82/21/823358221.db2.gz JIWZWOJUCYJAOG-UHFFFAOYSA-N -1 1 265.259 3.303 20 0 CGADMM CC(C)Cn1cc(-c2ccc([O-])c(F)c2F)ccc1=O ZINC001243343666 823358461 /nfs/dbraw/zinc/35/84/61/823358461.db2.gz LZVKLLRBZIGUKF-UHFFFAOYSA-N -1 1 279.286 3.155 20 0 CGADMM COc1cc(F)c(-c2ccc([O-])c(F)c2F)cc1OC ZINC001243343532 823358507 /nfs/dbraw/zinc/35/85/07/823358507.db2.gz GEIIENHLXJANMI-UHFFFAOYSA-N -1 1 284.233 3.494 20 0 CGADMM [O-]c1ccc(-c2ccnc(OC(F)F)c2)c(F)c1F ZINC001243343331 823358551 /nfs/dbraw/zinc/35/85/51/823358551.db2.gz VVLBQJXXPLFIBJ-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM COc1nccc(-c2ccc([O-])c(F)c2F)c1C ZINC001243343203 823359524 /nfs/dbraw/zinc/35/95/24/823359524.db2.gz SLRPQAYHTQVYDQ-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM Cc1c(=O)cc[nH]c1OC(=C([O-])c1ccco1)c1ccco1 ZINC001234183449 818799325 /nfs/dbraw/zinc/79/93/25/818799325.db2.gz ZYWIBBUSWSVKKH-OAHLLOKOSA-N -1 1 299.282 3.285 20 0 CGADMM C[C@@H](CCC1CC1)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001235358080 819077767 /nfs/dbraw/zinc/07/77/67/819077767.db2.gz HSFHBCXGRSSBMA-JTQLQIEISA-N -1 1 296.798 3.424 20 0 CGADMM CC(C)(C)Oc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001235927649 819226653 /nfs/dbraw/zinc/22/66/53/819226653.db2.gz OFTSZJBLAQUHOX-UHFFFAOYSA-N -1 1 295.346 3.106 20 0 CGADMM CC(C)(C)Oc1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001235927649 819226658 /nfs/dbraw/zinc/22/66/58/819226658.db2.gz OFTSZJBLAQUHOX-UHFFFAOYSA-N -1 1 295.346 3.106 20 0 CGADMM COC(=O)c1c(C)cc(C)nc1-c1c(F)ccc(C)c1[O-] ZINC001236393316 819448651 /nfs/dbraw/zinc/44/86/51/819448651.db2.gz RPULCEQOISXOFX-UHFFFAOYSA-N -1 1 289.306 3.305 20 0 CGADMM CN(C)C(=O)c1cccc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243504527 823422457 /nfs/dbraw/zinc/42/24/57/823422457.db2.gz QMBSTQMNQWURQL-UHFFFAOYSA-N -1 1 277.270 3.039 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cc2[nH]cnc2c(F)c1 ZINC001243505666 823423441 /nfs/dbraw/zinc/42/34/41/823423441.db2.gz UNROCOWENNQJRH-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cnc2ccncc2c1 ZINC001243506012 823423906 /nfs/dbraw/zinc/42/39/06/823423906.db2.gz OGLAKRLLEJETQL-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cccc(N2CCOCC2)c1 ZINC001243501771 823420952 /nfs/dbraw/zinc/42/09/52/823420952.db2.gz BCKDFXVRWCMVIU-UHFFFAOYSA-N -1 1 291.297 3.174 20 0 CGADMM COc1nc(-c2ccccc2)nc(-c2cccc([O-])c2F)n1 ZINC001243542344 823436622 /nfs/dbraw/zinc/43/66/22/823436622.db2.gz OARINDKDYGKJKV-UHFFFAOYSA-N -1 1 297.289 3.059 20 0 CGADMM Cc1cnc(-c2ccc(Cl)c([O-])c2)nc1N1CCCC1 ZINC001243576739 823451306 /nfs/dbraw/zinc/45/13/06/823451306.db2.gz LQFDBVLMALABRL-UHFFFAOYSA-N -1 1 289.766 3.411 20 0 CGADMM [O-]c1cc(-c2ccc(-n3ccnn3)cc2)ccc1Cl ZINC001243578080 823452239 /nfs/dbraw/zinc/45/22/39/823452239.db2.gz LMDSISWRVCZZCU-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM [O-]c1cc(-c2cc(-c3ncc[nH]3)ccn2)ccc1Cl ZINC001243579291 823452956 /nfs/dbraw/zinc/45/29/56/823452956.db2.gz SFOZSTHTTHELRT-UHFFFAOYSA-N -1 1 271.707 3.498 20 0 CGADMM O=c1ccc(-c2ccc(Cl)c([O-])c2)nn1CC1CCC1 ZINC001243581154 823454113 /nfs/dbraw/zinc/45/41/13/823454113.db2.gz FWMDDVTXMLBQJW-UHFFFAOYSA-N -1 1 290.750 3.069 20 0 CGADMM CCOC(=O)Cc1ncccc1-c1ccc(Cl)c([O-])c1 ZINC001243582184 823454376 /nfs/dbraw/zinc/45/43/76/823454376.db2.gz ZQIYIKCJVYBEED-UHFFFAOYSA-N -1 1 291.734 3.213 20 0 CGADMM CCOC(=O)c1c(F)cncc1-c1ccc(Cl)c([O-])c1 ZINC001243583358 823454679 /nfs/dbraw/zinc/45/46/79/823454679.db2.gz MORBLCZBJGYCNC-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM Cc1nc2[nH]ccc2nc1-c1ccc(Cl)c([O-])c1 ZINC001243583426 823454688 /nfs/dbraw/zinc/45/46/88/823454688.db2.gz NMVIISYKSYZGQV-UHFFFAOYSA-N -1 1 259.696 3.292 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(F)cc3C)ccc2[n-]1 ZINC001239737950 820560713 /nfs/dbraw/zinc/56/07/13/820560713.db2.gz JQWWDSUBDAMMKM-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(F)cc3C)cc2[n-]1 ZINC001239737950 820560717 /nfs/dbraw/zinc/56/07/17/820560717.db2.gz JQWWDSUBDAMMKM-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM O=C([O-])/C=C/c1cccc(-c2cccn3cncc23)c1 ZINC001240551242 821137832 /nfs/dbraw/zinc/13/78/32/821137832.db2.gz RFGURYFFKALPBT-VOTSOKGWSA-N -1 1 264.284 3.099 20 0 CGADMM CC(C)(C)c1nc2[nH]cnc2c(-c2cc(F)ccc2[O-])n1 ZINC001240693985 821248986 /nfs/dbraw/zinc/24/89/86/821248986.db2.gz KVCVZLASOBLZMJ-UHFFFAOYSA-N -1 1 286.310 3.114 20 0 CGADMM [O-]c1ccc(F)cc1-c1ccc(C(F)(F)F)nn1 ZINC001240693690 821249455 /nfs/dbraw/zinc/24/94/55/821249455.db2.gz VOTICEZHMMOKAJ-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM [O-]c1ccc(F)cc1-c1ncnc2c(F)c(F)ccc21 ZINC001240696209 821252316 /nfs/dbraw/zinc/25/23/16/821252316.db2.gz HCZDJFZDUFOXGA-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM [O-]c1ccc(F)cc1-c1cnc(OCC2CCC2)cn1 ZINC001240698682 821255533 /nfs/dbraw/zinc/25/55/33/821255533.db2.gz UIXDIKVJAHEOGU-UHFFFAOYSA-N -1 1 274.295 3.167 20 0 CGADMM [O-]c1ccc(-c2cnc(OCC3CCC3)cn2)cc1F ZINC001240791284 821335173 /nfs/dbraw/zinc/33/51/73/821335173.db2.gz XYOAKRZRXOIMEX-UHFFFAOYSA-N -1 1 274.295 3.167 20 0 CGADMM Cc1cc2c(c(-c3ccc4ccccc4c3)n1)C(=O)[N-]C2=O ZINC001240909207 821407958 /nfs/dbraw/zinc/40/79/58/821407958.db2.gz YAZALVLQTUGXNV-UHFFFAOYSA-N -1 1 288.306 3.094 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1-c1nccc2[nH]ccc21 ZINC001240999208 821477379 /nfs/dbraw/zinc/47/73/79/821477379.db2.gz JLLOQUORRMAZPN-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001241005773 821484593 /nfs/dbraw/zinc/48/45/93/821484593.db2.gz SHGMIUQULVQVNX-UHFFFAOYSA-N -1 1 299.345 3.487 20 0 CGADMM COC(=O)c1cc(-c2c(F)cc([O-])cc2F)ccc1F ZINC001241118418 821573111 /nfs/dbraw/zinc/57/31/11/821573111.db2.gz DSFLHMFOKOUVDN-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM COC(=O)c1cccc(-c2c(F)cc([O-])cc2F)c1C ZINC001241118762 821574187 /nfs/dbraw/zinc/57/41/87/821574187.db2.gz FZPRDEYGKHINHE-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM Cc1nc2ccc(-c3c(F)cc([O-])cc3F)cc2c(=O)o1 ZINC001241120857 821577182 /nfs/dbraw/zinc/57/71/82/821577182.db2.gz OWOVATQWTCVHAO-UHFFFAOYSA-N -1 1 289.237 3.147 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3c2OCCO3)c(F)c1 ZINC001241120885 821577522 /nfs/dbraw/zinc/57/75/22/821577522.db2.gz QFIYFPITHZQGON-UHFFFAOYSA-N -1 1 264.227 3.109 20 0 CGADMM CC(C)(C)c1ncncc1-c1c(F)cc([O-])cc1F ZINC001241122250 821578166 /nfs/dbraw/zinc/57/81/66/821578166.db2.gz YZWVHQUXWSZUDN-UHFFFAOYSA-N -1 1 264.275 3.425 20 0 CGADMM CSc1cc(-c2c(F)ccc([O-])c2F)nc(C)n1 ZINC001241290806 821707757 /nfs/dbraw/zinc/70/77/57/821707757.db2.gz FJDLYDPANWXWAR-UHFFFAOYSA-N -1 1 268.288 3.158 20 0 CGADMM [O-]c1ccc(F)c(-c2cc3c(nn2)CCCC3)c1F ZINC001241290815 821708345 /nfs/dbraw/zinc/70/83/45/821708345.db2.gz UMTGIOINUPNQLR-UHFFFAOYSA-N -1 1 262.259 3.006 20 0 CGADMM Cc1nc(-c2cc(F)cc(C(=O)[O-])c2)cc2[nH]ccc21 ZINC001241823443 822164991 /nfs/dbraw/zinc/16/49/91/822164991.db2.gz KDTOCFRBBWKBHF-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM Cc1ncc(F)c(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242131836 822888352 /nfs/dbraw/zinc/88/83/52/822888352.db2.gz RZLKWYNLCIJJNB-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM NC(=S)c1ccnc(-c2cc(C(F)(F)F)ccc2[O-])c1 ZINC001242134031 822889708 /nfs/dbraw/zinc/88/97/08/822889708.db2.gz PANRXJZXBAPQSU-UHFFFAOYSA-N -1 1 298.289 3.107 20 0 CGADMM COCOc1ccc(OC)cc1-c1ccc(F)cc1[O-] ZINC001242219459 822915593 /nfs/dbraw/zinc/91/55/93/822915593.db2.gz VALCTXZJZZMEMJ-UHFFFAOYSA-N -1 1 278.279 3.190 20 0 CGADMM O=c1c(-c2cccc(F)c2[O-])cccn1-c1ccccc1F ZINC001242352242 822961790 /nfs/dbraw/zinc/96/17/90/822961790.db2.gz CRJLGAOGULYXJF-UHFFFAOYSA-N -1 1 299.276 3.488 20 0 CGADMM COC(=O)c1cc(F)c(F)c(-c2cccc(F)c2[O-])c1 ZINC001242352671 822962499 /nfs/dbraw/zinc/96/24/99/822962499.db2.gz MRAAIVYJUNOCRR-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM O=C1CCN1c1cccc(-c2cccc(Cl)c2[O-])c1 ZINC001242366144 822968675 /nfs/dbraw/zinc/96/86/75/822968675.db2.gz PRJKKJSBTDCBME-UHFFFAOYSA-N -1 1 273.719 3.449 20 0 CGADMM COC(=O)c1nccc(-c2cccc(Cl)c2[O-])c1C ZINC001242366069 822969045 /nfs/dbraw/zinc/96/90/45/822969045.db2.gz OYGWOXRXTBTJLI-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM O=S1(=O)Cc2ccc(-c3cccc(Cl)c3[O-])cc2C1 ZINC001242365478 822969108 /nfs/dbraw/zinc/96/91/08/822969108.db2.gz DQYGFYKTMUIXEC-UHFFFAOYSA-N -1 1 294.759 3.141 20 0 CGADMM Cc1cc(-c2cccc(C(=O)[O-])c2F)cc2nc[nH]c21 ZINC001242380801 822974987 /nfs/dbraw/zinc/97/49/87/822974987.db2.gz VFMONWJJWFTSOE-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM COCc1nc(N[C@H](C)c2cc3ccccc3o2)cc(=O)[n-]1 ZINC001343021569 936486963 /nfs/dbraw/zinc/48/69/63/936486963.db2.gz RMJMLZSWHWVJCL-SNVBAGLBSA-N -1 1 299.330 3.248 20 0 CGADMM O=C(C[C@H]1C=CCC1)Nc1ccc(Br)c([O-])c1 ZINC001343489316 936503983 /nfs/dbraw/zinc/50/39/83/936503983.db2.gz GJOXPZFTQXUDHU-VIFPVBQESA-N -1 1 296.164 3.450 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@@H](F)C1 ZINC001349000312 936941745 /nfs/dbraw/zinc/94/17/45/936941745.db2.gz ZHZOVBVWJQQOCP-GHMZBOCLSA-N -1 1 285.746 3.190 20 0 CGADMM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1c[n-][nH]c1=O ZINC001364150009 937232630 /nfs/dbraw/zinc/23/26/30/937232630.db2.gz QJCSKHXJJQQQGZ-MNOVXSKESA-N -1 1 285.347 3.043 20 0 CGADMM CC(C)(F)c1cc([N-]C(=O)c2scnc2Cl)no1 ZINC001440294873 937328438 /nfs/dbraw/zinc/32/84/38/937328438.db2.gz HQKIDZJSIGGXMN-UHFFFAOYSA-N -1 1 289.719 3.241 20 0 CGADMM CC(C)CC[C@@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001440891999 937334556 /nfs/dbraw/zinc/33/45/56/937334556.db2.gz QNCLJGVKMPLLFN-SNVBAGLBSA-N -1 1 253.317 3.086 20 0 CGADMM O=C(N[C@H](c1ccccc1)C1CCC1)c1ccc([O-])cn1 ZINC001443596687 937347950 /nfs/dbraw/zinc/34/79/50/937347950.db2.gz GLPXJQFSWUVBON-MRXNPFEDSA-N -1 1 282.343 3.058 20 0 CGADMM CCS[C@@H]1CCC[C@H](NC(=O)c2cccc([O-])c2F)C1 ZINC001445324074 937356613 /nfs/dbraw/zinc/35/66/13/937356613.db2.gz IVKWOSILIGJPOI-WDEREUQCSA-N -1 1 297.395 3.325 20 0 CGADMM O=C(NC1CC(c2ccccc2)C1)c1cccc([O-])c1F ZINC001448409484 937374356 /nfs/dbraw/zinc/37/43/56/937374356.db2.gz FEAZJADIOZKLDU-UHFFFAOYSA-N -1 1 285.318 3.207 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc2ccccc2[nH]1 ZINC001449446657 937379640 /nfs/dbraw/zinc/37/96/40/937379640.db2.gz LRZXHHWMMCJHTJ-UHFFFAOYSA-N -1 1 288.253 3.404 20 0 CGADMM CCN(C(=O)c1cc(C)cc(C=O)c1[O-])[C@@H](C)C(C)C ZINC001450700084 937386746 /nfs/dbraw/zinc/38/67/46/937386746.db2.gz LOCRZEVBECLIOJ-LBPRGKRZSA-N -1 1 277.364 3.020 20 0 CGADMM CCC(NC(=O)c1ccc(F)c([O-])c1)(C1CC1)C1CC1 ZINC001453450279 937402774 /nfs/dbraw/zinc/40/27/74/937402774.db2.gz YZBBYURWHYPAGF-UHFFFAOYSA-N -1 1 277.339 3.230 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2cnn3ccccc23)c1 ZINC001454250982 937407794 /nfs/dbraw/zinc/40/77/94/937407794.db2.gz HPFVTBLGEQKZGH-UHFFFAOYSA-N -1 1 299.355 3.014 20 0 CGADMM Cc1ccc(C(=O)Nc2cccc(F)c2[O-])c(F)c1F ZINC001454768177 937412031 /nfs/dbraw/zinc/41/20/31/937412031.db2.gz ISSZWQWWZZMKIK-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001455925093 937422428 /nfs/dbraw/zinc/42/24/28/937422428.db2.gz AVPCRUWSKVWDGQ-ZIYJGFGOSA-N -1 1 299.292 3.185 20 0 CGADMM CC(C)c1oncc1[N-]C(=O)c1onc2ccccc21 ZINC001455736778 937420982 /nfs/dbraw/zinc/42/09/82/937420982.db2.gz KBVIAKMDOPJHEB-UHFFFAOYSA-N -1 1 271.276 3.192 20 0 CGADMM O=C(NC[C@@H]1C[C@@H]1C1CCCC1)c1c([O-])cccc1F ZINC001457313790 937440826 /nfs/dbraw/zinc/44/08/26/937440826.db2.gz VSUABAVLWUPUBF-NWDGAFQWSA-N -1 1 277.339 3.087 20 0 CGADMM O=c1ccc2c(OC3CCC(F)(F)CC3)cc([O-])cc2o1 ZINC001229129055 932102039 /nfs/dbraw/zinc/10/20/39/932102039.db2.gz HXHJAEQNTMLDHC-UHFFFAOYSA-N -1 1 296.269 3.455 20 0 CGADMM CC[C@@H](C)[C@H](C)Oc1c([O-])c(OC)cc2ccc(=O)oc21 ZINC001229216732 932116864 /nfs/dbraw/zinc/11/68/64/932116864.db2.gz UFBLGWYZFLXKBA-ZJUUUORDSA-N -1 1 292.331 3.321 20 0 CGADMM C=CC(=O)OC[C@H](C)Oc1cc([O-])c(Cl)cc1Cl ZINC001229411990 932147562 /nfs/dbraw/zinc/14/75/62/932147562.db2.gz XLJASPDMUQNSEB-ZETCQYMHSA-N -1 1 291.130 3.196 20 0 CGADMM CCOC(=O)C[C@@H](C)Oc1cc([O-])c(Cl)cc1Cl ZINC001229409455 932148074 /nfs/dbraw/zinc/14/80/74/932148074.db2.gz DJYXVZMHUWOKRS-SSDOTTSWSA-N -1 1 293.146 3.420 20 0 CGADMM Cc1cc(-c2ccnn(C3CCC3)c2=O)cc(Cl)c1[O-] ZINC001244555757 932708035 /nfs/dbraw/zinc/70/80/35/932708035.db2.gz RSVCBCBWKAJQME-UHFFFAOYSA-N -1 1 290.750 3.303 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cn1)c1csc2ccccc21 ZINC001304826843 932858050 /nfs/dbraw/zinc/85/80/50/932858050.db2.gz MQFGUKVCHMBKLZ-SNVBAGLBSA-N -1 1 298.367 3.493 20 0 CGADMM C[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001313237201 933436951 /nfs/dbraw/zinc/43/69/51/933436951.db2.gz SCEWUNOOBLSRLY-GHMZBOCLSA-N -1 1 296.798 3.376 20 0 CGADMM O=C(N[C@H]1CSc2ccccc21)c1ccc([O-])cc1F ZINC001465317575 937700101 /nfs/dbraw/zinc/70/01/01/937700101.db2.gz XMJMPUVBSOPMCY-ZDUSSCGKSA-N -1 1 289.331 3.108 20 0 CGADMM C[C@H]1C[C@H](CCNC(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC001467637360 937720198 /nfs/dbraw/zinc/72/01/98/937720198.db2.gz ZOGKCCHCGVWKAX-STQMWFEESA-N -1 1 290.407 3.370 20 0 CGADMM O=C(N[C@H]1CCCC12CC2)c1ccc2ccc(O)cc2c1[O-] ZINC001470951537 937759797 /nfs/dbraw/zinc/75/97/97/937759797.db2.gz VFQXKPNNAJWQQN-HNNXBMFYSA-N -1 1 297.354 3.314 20 0 CGADMM CC(C)(C)ONC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001322720883 934331989 /nfs/dbraw/zinc/33/19/89/934331989.db2.gz REJBSQPOTOOWSY-UHFFFAOYSA-N -1 1 294.738 3.054 20 0 CGADMM O=C(CC(C1CC1)C1CC1)Nc1ccc(F)cc1[O-] ZINC001324051646 934455353 /nfs/dbraw/zinc/45/53/53/934455353.db2.gz ZYOQYUGUQKDHOJ-UHFFFAOYSA-N -1 1 263.312 3.296 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CC2CCC1CC2 ZINC001472546305 937777199 /nfs/dbraw/zinc/77/71/99/937777199.db2.gz MGQLAZMEMAMZNH-RTBKNWGFSA-N -1 1 280.755 3.205 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC2(C1)CCCC2 ZINC001332087457 935438535 /nfs/dbraw/zinc/43/85/35/935438535.db2.gz VDLBXUTVORXSCG-UHFFFAOYSA-N -1 1 297.354 3.267 20 0 CGADMM CC[C@H]1COC(C)(C)CN1Cc1ccc([O-])c(F)c1F ZINC001474615645 937870784 /nfs/dbraw/zinc/87/07/84/937870784.db2.gz GEJQWZHCKGIUAA-NSHDSACASA-N -1 1 285.334 3.060 20 0 CGADMM CSc1cc(Cl)ccc1[N-]C(=O)c1cocn1 ZINC001531797757 938083102 /nfs/dbraw/zinc/08/31/02/938083102.db2.gz WFLOLQMVHGFJMR-UHFFFAOYSA-N -1 1 268.725 3.302 20 0 CGADMM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C)co2)c(F)c1F ZINC001535900997 938103020 /nfs/dbraw/zinc/10/30/20/938103020.db2.gz JFDSONFTSXLXDS-UHFFFAOYSA-N -1 1 297.232 3.460 20 0 CGADMM CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc([O-])cn1 ZINC001543540890 938140325 /nfs/dbraw/zinc/14/03/25/938140325.db2.gz KUJBEWHRDNBMEX-UHFFFAOYSA-N -1 1 290.750 3.103 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1[O-])c1ccc(Cl)cc1O ZINC001556934308 938206655 /nfs/dbraw/zinc/20/66/55/938206655.db2.gz FMVAOBJCWLYCKV-UHFFFAOYSA-N -1 1 299.660 3.282 20 0 CGADMM CSc1cccnc1[N-]C(=O)c1nc(Cl)sc1C ZINC001557346269 938209443 /nfs/dbraw/zinc/20/94/43/938209443.db2.gz GDVBOURKYLYTCQ-UHFFFAOYSA-N -1 1 299.808 3.474 20 0 CGADMM Cc1csc([C@H](C)C(=O)Nc2c([O-])cccc2F)n1 ZINC001557408452 938209884 /nfs/dbraw/zinc/20/98/84/938209884.db2.gz SIISTGGSJVFHLS-MRVPVSSYSA-N -1 1 280.324 3.038 20 0 CGADMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001557517959 938210473 /nfs/dbraw/zinc/21/04/73/938210473.db2.gz BXIKBMQCZNMYOA-GHMZBOCLSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1cc(CN2CCC[C@H](CCC(=O)[O-])C2)cc(Cl)n1 ZINC001600195276 970776523 /nfs/dbraw/zinc/77/65/23/970776523.db2.gz MFNNGRUNJSQUFH-GFCCVEGCSA-N -1 1 296.798 3.120 20 0 CGADMM O=C([O-])c1ccc(CN2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC001595227550 949322513 /nfs/dbraw/zinc/32/25/13/949322513.db2.gz WMYDPFCQRIWGNF-SFHVURJKSA-N -1 1 299.345 3.456 20 0 CGADMM C[C@](NCc1ccc(F)cc1F)(C(=O)[O-])c1ccccc1 ZINC000051018130 957502182 /nfs/dbraw/zinc/50/21/82/957502182.db2.gz GUDWUKUIJXWUCZ-MRXNPFEDSA-N -1 1 291.297 3.054 20 0 CGADMM CSc1cc(O)ccc1NC(=O)c1ccc([O-])cc1F ZINC000191172207 958807456 /nfs/dbraw/zinc/80/74/56/958807456.db2.gz KFUAIVGJGQMSDZ-UHFFFAOYSA-N -1 1 293.319 3.211 20 0 CGADMM Cc1cc(CNCc2cccc(Cl)c2)oc1C(=O)[O-] ZINC000235835733 960512675 /nfs/dbraw/zinc/51/26/75/960512675.db2.gz VJKMGMDEWKAWCH-UHFFFAOYSA-N -1 1 279.723 3.229 20 0 CGADMM CCCCCN(CCCOC)C(=O)c1cccc([O-])c1F ZINC001567481078 961355287 /nfs/dbraw/zinc/35/52/87/961355287.db2.gz NWCPGRQCBZUXLO-UHFFFAOYSA-N -1 1 297.370 3.200 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cn1)c1cc2ccccc2o1 ZINC001567607703 961374579 /nfs/dbraw/zinc/37/45/79/961374579.db2.gz LXTYHXHVCYDVNH-SNVBAGLBSA-N -1 1 282.299 3.024 20 0 CGADMM CC(C)c1ccccc1N(C)Cc1ccc(-c2nnn[n-]2)o1 ZINC001574422329 962306241 /nfs/dbraw/zinc/30/62/41/962306241.db2.gz YUCAZVLEJMZYIB-UHFFFAOYSA-N -1 1 297.362 3.220 20 0 CGADMM CC(C)c1ccccc1N(C)Cc1ccc(-c2nn[n-]n2)o1 ZINC001574422329 962306259 /nfs/dbraw/zinc/30/62/59/962306259.db2.gz YUCAZVLEJMZYIB-UHFFFAOYSA-N -1 1 297.362 3.220 20 0 CGADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001585519332 963019327 /nfs/dbraw/zinc/01/93/27/963019327.db2.gz JRBQKKSXOHSVHD-AAEUAGOBSA-N -1 1 279.355 3.476 20 0 CGADMM CSc1c(F)cccc1[N-]C(=O)c1cncc(Cl)n1 ZINC001586052760 963061945 /nfs/dbraw/zinc/06/19/45/963061945.db2.gz ZUCPWJVDRVBBTI-UHFFFAOYSA-N -1 1 297.742 3.243 20 0 CGADMM C[C@H](Cc1cccs1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC001587624893 963209896 /nfs/dbraw/zinc/20/98/96/963209896.db2.gz JEVGJGYTFYVDAZ-SNVBAGLBSA-N -1 1 293.363 3.296 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@@H]1Cc1ccccc1 ZINC001587771383 963217023 /nfs/dbraw/zinc/21/70/23/963217023.db2.gz BQGKKHAIRGLISP-OAHLLOKOSA-N -1 1 299.345 3.379 20 0 CGADMM C/C(=C\CN[C@@H](c1ccc(C)cc1)c1ccccn1)C(=O)[O-] ZINC001588982050 963338831 /nfs/dbraw/zinc/33/88/31/963338831.db2.gz MHNHSWJZUWWRTC-SHRNQRGKSA-N -1 1 296.370 3.100 20 0 CGADMM CC(F)(F)c1ccc(CNCc2ccoc2C(=O)[O-])cc1 ZINC001592945302 980026015 /nfs/dbraw/zinc/02/60/15/980026015.db2.gz XOVXDGZJRXBVFO-UHFFFAOYSA-N -1 1 295.285 3.379 20 0 CGADMM CC[C@@H]1CCCN([C@@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001595458723 981133166 /nfs/dbraw/zinc/13/31/66/981133166.db2.gz LDRLVYGVKSVTNS-WDEREUQCSA-N -1 1 282.409 3.414 20 0 CGADMM C[C@@H]1[C@@H](C)CN1Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC001594536770 986155618 /nfs/dbraw/zinc/15/56/18/986155618.db2.gz FPBKKYAUYNZVDD-DTWKUNHWSA-N -1 1 287.281 3.244 20 0 CGADMM CCc1ccc([C@@H](C)NCc2cc(C(=O)[O-])c(C)n2C)o1 ZINC001597513027 988103672 /nfs/dbraw/zinc/10/36/72/988103672.db2.gz ITZQHXSDDXBNJR-SNVBAGLBSA-N -1 1 290.363 3.038 20 0 CGADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)[C@H](C)CCO1 ZINC001599866769 989277263 /nfs/dbraw/zinc/27/72/63/989277263.db2.gz RUIHQVOKWZYEFS-GHMZBOCLSA-N -1 1 297.782 3.038 20 0 CGADMM C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001593696872 996152574 /nfs/dbraw/zinc/15/25/74/996152574.db2.gz ANVWRGPSXVVEBB-JBLDHEPKSA-N -1 1 283.318 3.068 20 0 CGADMM C[C@@]1(F)CCCN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)C1 ZINC001594044690 997688625 /nfs/dbraw/zinc/68/86/25/997688625.db2.gz BHIRFNFEGAGCBE-MRXNPFEDSA-N -1 1 291.366 3.127 20 0 CGADMM Oc1cccc(C[NH+]2CC(CC3CC3)C2)c1Br ZINC000621740398 349577686 /nfs/dbraw/zinc/57/76/86/349577686.db2.gz OHLRXBYYTNROAG-UHFFFAOYSA-N -1 1 296.208 3.387 20 0 CGADMM CC[C@H](CNC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000622287028 349667840 /nfs/dbraw/zinc/66/78/40/349667840.db2.gz WHRIUTIZOYNTBD-GFCCVEGCSA-N -1 1 287.334 3.455 20 0 CGADMM Cc1ccc(F)c(CC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000622467080 349682187 /nfs/dbraw/zinc/68/21/87/349682187.db2.gz HAXGHFNWDQJBEE-UHFFFAOYSA-N -1 1 277.270 3.160 20 0 CGADMM CCc1cc(=O)[n-]c(SCCO[C@H]2CCCC[C@@H]2C)n1 ZINC000436201027 529567160 /nfs/dbraw/zinc/56/71/60/529567160.db2.gz ZXYJIPMCZZRCPK-AAEUAGOBSA-N -1 1 296.436 3.432 20 0 CGADMM CCc1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)c([O-])c1 ZINC000436822544 529611278 /nfs/dbraw/zinc/61/12/78/529611278.db2.gz VKWDQHKTXGCZTK-LLVKDONJSA-N -1 1 299.374 3.374 20 0 CGADMM CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000011715094 344878522 /nfs/dbraw/zinc/87/85/22/344878522.db2.gz ULFDPWHTYQGOFO-UHFFFAOYSA-N -1 1 298.342 3.239 20 0 CGADMM O=C(NC[C@@H]1CCCCS1)c1cc(Cl)ccc1[O-] ZINC000158282715 232236511 /nfs/dbraw/zinc/23/65/11/232236511.db2.gz OSODCXBNWAXBKX-JTQLQIEISA-N -1 1 285.796 3.061 20 0 CGADMM C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cccc([O-])c1Cl ZINC000351673595 219172532 /nfs/dbraw/zinc/17/25/32/219172532.db2.gz QYZUOOCGVJUEOL-JTQLQIEISA-N -1 1 299.798 3.208 20 0 CGADMM CCc1ccc([C@@H](NCc2ccccc2F)C(=O)[O-])cc1 ZINC000211653579 346286147 /nfs/dbraw/zinc/28/61/47/346286147.db2.gz UMSFGOMTYXBVMV-MRXNPFEDSA-N -1 1 287.334 3.304 20 0 CGADMM COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000229296400 346316970 /nfs/dbraw/zinc/31/69/70/346316970.db2.gz MABGWGZKCCCPQB-ZWNOBZJWSA-N -1 1 297.782 3.034 20 0 CGADMM C[C@H](NCc1cccc([O-])c1Cl)c1ccncc1F ZINC000339398047 215146767 /nfs/dbraw/zinc/14/67/67/215146767.db2.gz UOCODCZCEBTOPN-VIFPVBQESA-N -1 1 280.730 3.431 20 0 CGADMM CCOc1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000605436667 348154996 /nfs/dbraw/zinc/15/49/96/348154996.db2.gz LOQPWKBWBZMYBI-UHFFFAOYSA-N -1 1 275.279 3.182 20 0 CGADMM CCSc1ccc(C(=O)Nc2c([O-])cccc2F)cn1 ZINC000605438114 348155738 /nfs/dbraw/zinc/15/57/38/348155738.db2.gz CMMDFWLMZLKQLQ-UHFFFAOYSA-N -1 1 292.335 3.291 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc(Cl)cc1 ZINC000605437859 348156014 /nfs/dbraw/zinc/15/60/14/348156014.db2.gz BDQVZSQHCMGJRC-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc([C@@H]2CCCS2)no1 ZINC000128824969 187392255 /nfs/dbraw/zinc/39/22/55/187392255.db2.gz IQFSSCAPNXGWHV-JTQLQIEISA-N -1 1 266.297 3.149 20 0 CGADMM Cc1cc(C)cc(OCC(=O)Nc2c([O-])cccc2F)c1 ZINC000608366584 348301039 /nfs/dbraw/zinc/30/10/39/348301039.db2.gz NBEOMXPQRMFKQT-UHFFFAOYSA-N -1 1 289.306 3.166 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000608365929 348301589 /nfs/dbraw/zinc/30/15/89/348301589.db2.gz VVFNIYNVKRBEOO-VXGBXAGGSA-N -1 1 289.281 3.413 20 0 CGADMM CC[C@@H](SC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000128892894 187397318 /nfs/dbraw/zinc/39/73/18/187397318.db2.gz ZLQVJSFJZWZGJE-SNVBAGLBSA-N -1 1 259.758 3.126 20 0 CGADMM O=C(c1ncc2ccccc2c1[O-])N1CCC2(CCC2)CC1 ZINC000614772646 348692673 /nfs/dbraw/zinc/69/26/73/348692673.db2.gz BBOKGLIPZUPOIY-UHFFFAOYSA-N -1 1 296.370 3.347 20 0 CGADMM CCC1(CC)CCCN(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000618667871 349137110 /nfs/dbraw/zinc/13/71/10/349137110.db2.gz GMTREZHFIFCDCZ-UHFFFAOYSA-N -1 1 289.375 3.004 20 0 CGADMM CSc1ccc([O-])c(-c2nc([C@@H]3CC[C@@H](C)O3)no2)c1 ZINC000624686399 350084172 /nfs/dbraw/zinc/08/41/72/350084172.db2.gz ONOUNTJOBWXLJU-PELKAZGASA-N -1 1 292.360 3.404 20 0 CGADMM CC(C)C[C@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378195 350684340 /nfs/dbraw/zinc/68/43/40/350684340.db2.gz PRGMITQSLJIAOD-LBPRGKRZSA-N -1 1 287.363 3.199 20 0 CGADMM CCC(C)(C)C(=O)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023081 350926496 /nfs/dbraw/zinc/92/64/96/350926496.db2.gz GWJHIBQUTKGPLH-UHFFFAOYSA-N -1 1 294.420 3.465 20 0 CGADMM Cc1cc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)ccn1 ZINC000631023863 350927534 /nfs/dbraw/zinc/92/75/34/350927534.db2.gz ZCDQNJAJAOGKFQ-UHFFFAOYSA-N -1 1 287.388 3.364 20 0 CGADMM CC[C@@H](C)CN(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000631219925 350994205 /nfs/dbraw/zinc/99/42/05/350994205.db2.gz OHIUHAOBDBHWIM-SNVBAGLBSA-N -1 1 269.772 3.093 20 0 CGADMM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631814180 351148189 /nfs/dbraw/zinc/14/81/89/351148189.db2.gz FDQRANWPUWKZOH-MRVPVSSYSA-N -1 1 281.324 3.074 20 0 CGADMM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632094175 351167326 /nfs/dbraw/zinc/16/73/26/351167326.db2.gz OSWUZOHDURFWLE-DTWKUNHWSA-N -1 1 293.335 3.074 20 0 CGADMM C[C@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)CC[C@@H]1C ZINC000632229253 351181336 /nfs/dbraw/zinc/18/13/36/351181336.db2.gz XKWXVFFSAWOFLO-QWRGUYRKSA-N -1 1 281.783 3.093 20 0 CGADMM CC1(C)CN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@H]1C1CC1 ZINC000633139800 351247035 /nfs/dbraw/zinc/24/70/35/351247035.db2.gz BPGITJXUSHKHRS-HNNXBMFYSA-N -1 1 293.794 3.235 20 0 CGADMM CC[C@H]1[C@@H](C)CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632548550 351204278 /nfs/dbraw/zinc/20/42/78/351204278.db2.gz QPSOMNXZDQEHIR-GWCFXTLKSA-N -1 1 281.783 3.235 20 0 CGADMM CCCN(C(=O)Cc1ccc([O-])c(Cl)c1)C(C)C ZINC000633586856 351327762 /nfs/dbraw/zinc/32/77/62/351327762.db2.gz VLKMLWBZTRVMKC-UHFFFAOYSA-N -1 1 269.772 3.235 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000633667322 351342684 /nfs/dbraw/zinc/34/26/84/351342684.db2.gz GUPZHWTYRGXOKO-FRRDWIJNSA-N -1 1 293.794 3.141 20 0 CGADMM C[C@H](CC1CCC1)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000634371860 351484194 /nfs/dbraw/zinc/48/41/94/351484194.db2.gz BEUDZQQHOBEIGR-SNVBAGLBSA-N -1 1 281.783 3.283 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3cccc(Br)c3)c(=O)c21 ZINC000634585605 351524962 /nfs/dbraw/zinc/52/49/62/351524962.db2.gz LJFKZFHGNHSLLP-UFBFGSQYSA-N -1 1 293.164 3.198 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(OC(F)F)cc2)c1=O ZINC000634602156 351536587 /nfs/dbraw/zinc/53/65/87/351536587.db2.gz ILPGXCHWPBITEI-NSHDSACASA-N -1 1 268.263 3.037 20 0 CGADMM CCc1c(=O)n(Cc2ccc(F)cc2F)[n-]c1C(C)C ZINC000634601436 351536813 /nfs/dbraw/zinc/53/68/13/351536813.db2.gz MRRKFHMTLGNROU-LBPRGKRZSA-N -1 1 280.318 3.345 20 0 CGADMM CCc1[n-]n(-c2cnnc3ccccc32)c(=O)c1C(C)C ZINC000634604650 351538546 /nfs/dbraw/zinc/53/85/46/351538546.db2.gz MGIJFAIAMNBQAB-OAHLLOKOSA-N -1 1 282.347 3.015 20 0 CGADMM CCCc1c(C)[n-]n(Cc2ccc(Cl)cc2)c1=O ZINC000634607271 351539708 /nfs/dbraw/zinc/53/97/08/351539708.db2.gz SDGKVIMHGJOVEX-ZDUSSCGKSA-N -1 1 264.756 3.474 20 0 CGADMM COc1ccc(-n2[n-]c(C)c(C3CC3)c2=O)cc1Cl ZINC000634614797 351543669 /nfs/dbraw/zinc/54/36/69/351543669.db2.gz OFWVYXAPROGXIP-CYBMUJFWSA-N -1 1 278.739 3.097 20 0 CGADMM Cc1cc2ccccc2nc1-n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634615846 351544341 /nfs/dbraw/zinc/54/43/41/351544341.db2.gz SWNTVVWINOWCRU-BMIGLBTASA-N -1 1 279.343 3.292 20 0 CGADMM CC(C)c1c(Cc2ccccc2)[n-]n(C23CC(C2)C3)c1=O ZINC000634625039 351549172 /nfs/dbraw/zinc/54/91/72/351549172.db2.gz WYFYOPOYAYMEHE-BFHRDPOASA-N -1 1 282.387 3.252 20 0 CGADMM O=c1c2c([n-]n1Cc1cc(Cl)ccc1Cl)CCC2 ZINC000634626787 351549918 /nfs/dbraw/zinc/54/99/18/351549918.db2.gz LZVLRFCCVSATPM-SNVBAGLBSA-N -1 1 283.158 3.492 20 0 CGADMM C[C@@H]1C[C@@H](CNC(=O)c2ccc3ccccc3c2[O-])CCO1 ZINC000271649003 191259179 /nfs/dbraw/zinc/25/91/79/191259179.db2.gz ZHFLRZSZEFHHDE-OLZOCXBDSA-N -1 1 299.370 3.090 20 0 CGADMM O=C(c1cncc([O-])c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000336403560 213262005 /nfs/dbraw/zinc/26/20/05/213262005.db2.gz JDUUYQBRNXAQDZ-AWEZNQCLSA-N -1 1 288.734 3.028 20 0 CGADMM CCN(CC1CC1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271890576 191393569 /nfs/dbraw/zinc/39/35/69/191393569.db2.gz SYDWXRPYLGKNOX-UHFFFAOYSA-N -1 1 287.281 3.283 20 0 CGADMM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc(F)cc2[O-])C1(C)C ZINC000273687391 192261514 /nfs/dbraw/zinc/26/15/14/192261514.db2.gz GPVCSFYGSPIISJ-PWSUYJOCSA-N -1 1 293.338 3.111 20 0 CGADMM Cc1oc2ccccc2c1CNCc1cc(C(=O)[O-])co1 ZINC000426698803 236307162 /nfs/dbraw/zinc/30/71/62/236307162.db2.gz BTIYATHADKUKFF-UHFFFAOYSA-N -1 1 285.299 3.322 20 0 CGADMM Cc1ccc(F)c(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000426777918 236313663 /nfs/dbraw/zinc/31/36/63/236313663.db2.gz RUJFEHYSYMGULT-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM O=C([O-])[C@H](NCc1cc(F)ccc1F)c1cccc(F)c1 ZINC000426805524 236315940 /nfs/dbraw/zinc/31/59/40/236315940.db2.gz CFUNMYABUIPBOW-CQSZACIVSA-N -1 1 295.260 3.019 20 0 CGADMM O=C(NCc1ccc2ccccc2n1)c1c([O-])cccc1F ZINC000436970300 237220834 /nfs/dbraw/zinc/22/08/34/237220834.db2.gz CUPZFAOUHDQYAN-UHFFFAOYSA-N -1 1 296.301 3.010 20 0 CGADMM Cc1cc(NC(=O)C(=O)c2ccc([O-])cc2)ccc1C1CC1 ZINC000436917984 237210327 /nfs/dbraw/zinc/21/03/27/237210327.db2.gz ZHVFIVGIVBVJEP-UHFFFAOYSA-N -1 1 295.338 3.399 20 0 CGADMM Cc1ccc([C@@H](C)N(C)C(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000437006068 237229854 /nfs/dbraw/zinc/22/98/54/237229854.db2.gz QAOLSUDAOFKWNG-CYBMUJFWSA-N -1 1 297.354 3.103 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccs1 ZINC000184018975 189374654 /nfs/dbraw/zinc/37/46/54/189374654.db2.gz ZFUHEARXQIKNKZ-MRVPVSSYSA-N -1 1 265.309 3.084 20 0 CGADMM Cc1ccc(-c2noc([N-][C@H](CO)c3ccccc3)n2)cc1 ZINC000302024175 201304381 /nfs/dbraw/zinc/30/43/81/201304381.db2.gz GBEFJTBGLIYJIS-OAHLLOKOSA-N -1 1 295.342 3.191 20 0 CGADMM C[C@H]1c2ccccc2CN1C(=O)c1cc(F)ccc1[O-] ZINC000436590705 291320229 /nfs/dbraw/zinc/32/02/29/291320229.db2.gz UDNCWLNIPWAMTH-JTQLQIEISA-N -1 1 271.291 3.248 20 0 CGADMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC000451104947 240219407 /nfs/dbraw/zinc/21/94/07/240219407.db2.gz BJEHXAWJXUXDOV-JGVFFNPUSA-N -1 1 281.830 3.114 20 0 CGADMM CC(C)([N-]S(=O)(=O)c1sccc1Cl)C1CCC1 ZINC000451859160 240372929 /nfs/dbraw/zinc/37/29/29/240372929.db2.gz CQUVWEZXDLDTEF-UHFFFAOYSA-N -1 1 293.841 3.259 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)c([O-])c1 ZINC000493106842 244098891 /nfs/dbraw/zinc/09/88/91/244098891.db2.gz PWIRVUABBFBQDN-QWHCGFSZSA-N -1 1 290.407 3.382 20 0 CGADMM CCN(CC1CC1)C(=O)c1cc2ccccc2cc1[O-] ZINC000069238630 369755358 /nfs/dbraw/zinc/75/53/58/369755358.db2.gz JZWRHRLUCAIBBG-UHFFFAOYSA-N -1 1 269.344 3.418 20 0 CGADMM C[C@H](NC(=O)c1cncc([O-])c1)c1cccc2ccccc21 ZINC000109042904 370359348 /nfs/dbraw/zinc/35/93/48/370359348.db2.gz IQISRSQNYDZUGJ-LBPRGKRZSA-N -1 1 292.338 3.431 20 0 CGADMM O=C(Nc1ccc(-c2nccs2)cc1)c1cncc([O-])c1 ZINC000109042214 370359907 /nfs/dbraw/zinc/35/99/07/370359907.db2.gz FCSFNIKZQQCXKA-UHFFFAOYSA-N -1 1 297.339 3.163 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]2CCCC[C@H]21 ZINC000132868517 371208737 /nfs/dbraw/zinc/20/87/37/371208737.db2.gz GHJPJAAWAJZMPB-BXUZGUMPSA-N -1 1 277.339 3.326 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(-c2cccc(F)c2)no1 ZINC000132981684 371217990 /nfs/dbraw/zinc/21/79/90/371217990.db2.gz BYABEQSWDCSDKX-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1ccc(Br)o1 ZINC000132985807 371218064 /nfs/dbraw/zinc/21/80/64/371218064.db2.gz PCCRXUDTTGIFGX-UHFFFAOYSA-N -1 1 299.124 3.153 20 0 CGADMM Cc1cccc([C@@H]2CCCN2C(=O)c2ncc(C)cc2[O-])c1 ZINC000331873011 204249597 /nfs/dbraw/zinc/24/95/97/204249597.db2.gz GVIYGSNHBLMIHS-HNNXBMFYSA-N -1 1 296.370 3.381 20 0 CGADMM C[C@@H](C1CC1)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000135834815 371450464 /nfs/dbraw/zinc/45/04/64/371450464.db2.gz JZYQZTIPCHUBRD-QMMMGPOBSA-N -1 1 298.180 3.025 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H](C2CCCC2)C1 ZINC000421940267 371710647 /nfs/dbraw/zinc/71/06/47/371710647.db2.gz AHJUAENYAKHMIC-LLVKDONJSA-N -1 1 295.329 3.323 20 0 CGADMM Cc1cccc([C@H]2CCCN2C(=O)c2ncccc2[O-])c1C ZINC000153883367 371795921 /nfs/dbraw/zinc/79/59/21/371795921.db2.gz NVGNYKHEUFNODO-OAHLLOKOSA-N -1 1 296.370 3.381 20 0 CGADMM C[C@H](c1ccccc1)N(C)C(=O)c1ccc([O-])cc1F ZINC000154765828 371876929 /nfs/dbraw/zinc/87/69/29/371876929.db2.gz QTYFXCGGMBGTNP-LLVKDONJSA-N -1 1 273.307 3.365 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC2(C1)CCCCC2 ZINC000080031112 296181342 /nfs/dbraw/zinc/18/13/42/296181342.db2.gz KRMCHQMENDBBAC-UHFFFAOYSA-N -1 1 277.339 3.328 20 0 CGADMM CCN(C[C@@H](C)OC)C(=O)c1ccc2ccccc2c1[O-] ZINC000291028399 372098083 /nfs/dbraw/zinc/09/80/83/372098083.db2.gz BBKFIULWLHKNHL-GFCCVEGCSA-N -1 1 287.359 3.042 20 0 CGADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000432200617 372545294 /nfs/dbraw/zinc/54/52/94/372545294.db2.gz AHKLVVAJRSDSBU-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM O=C([N-]c1nnc(-c2ccco2)s1)c1ccoc1Cl ZINC000433596192 372615524 /nfs/dbraw/zinc/61/55/24/372615524.db2.gz WAUOVFLSPDBDBI-UHFFFAOYSA-N -1 1 295.707 3.297 20 0 CGADMM CCc1noc(C)c1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000333114189 205040434 /nfs/dbraw/zinc/04/04/34/205040434.db2.gz YFOOWILNOFEUAE-UHFFFAOYSA-N -1 1 291.376 3.211 20 0 CGADMM Cn1cc(NC(=O)c2ccccc2[O-])c(C2CCCCC2)n1 ZINC000295876562 372943917 /nfs/dbraw/zinc/94/39/17/372943917.db2.gz VJGODQAKLNNHJG-UHFFFAOYSA-N -1 1 299.374 3.426 20 0 CGADMM CCOc1cc(C(=O)NC2(CC)CC2)cc(Cl)c1[O-] ZINC000296333366 373093830 /nfs/dbraw/zinc/09/38/30/373093830.db2.gz SJNKVJLRFCZHRX-UHFFFAOYSA-N -1 1 283.755 3.117 20 0 CGADMM O=C([N-]CCc1c[nH]c2ccc(Cl)cc12)C(F)(F)F ZINC000174056851 373242043 /nfs/dbraw/zinc/24/20/43/373242043.db2.gz FRALEEHYSZOWFC-UHFFFAOYSA-N -1 1 290.672 3.042 20 0 CGADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1c(F)cccc1Cl ZINC000175861423 373529918 /nfs/dbraw/zinc/52/99/18/373529918.db2.gz ZVSUDVGGHWQQDX-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)[C@H]1C(=O)[O-] ZINC000300274619 373623805 /nfs/dbraw/zinc/62/38/05/373623805.db2.gz TXINGRPCYIUHHD-TVQRCGJNSA-N -1 1 285.746 3.164 20 0 CGADMM Cc1nc(-c2ccc(N[C@H]3CCC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000301392187 373770186 /nfs/dbraw/zinc/77/01/86/373770186.db2.gz BIRABBCEGRZVDH-HZMBPMFUSA-N -1 1 298.390 3.462 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1cc(C2CC2)on1 ZINC000179638831 373897984 /nfs/dbraw/zinc/89/79/84/373897984.db2.gz OJUVMPJMIHAELI-UHFFFAOYSA-N -1 1 278.695 3.163 20 0 CGADMM CC(C)=CCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000302738847 373947295 /nfs/dbraw/zinc/94/72/95/373947295.db2.gz YAWXMKNLCZHEFH-UHFFFAOYSA-N -1 1 284.363 3.239 20 0 CGADMM COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000334007335 205920669 /nfs/dbraw/zinc/92/06/69/205920669.db2.gz NFTWUJWOKBQOQO-CABZTGNLSA-N -1 1 297.782 3.363 20 0 CGADMM O=C(Nc1cccc2cccnc21)c1ccc([O-])cc1F ZINC000181085334 374076282 /nfs/dbraw/zinc/07/62/82/374076282.db2.gz KXQSYRFXYIVKDY-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM C[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)CC12CCC2 ZINC000289492671 197374566 /nfs/dbraw/zinc/37/45/66/197374566.db2.gz RUQNZCOMLVPVOW-JTQLQIEISA-N -1 1 295.329 3.323 20 0 CGADMM CN(CCCCC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000181558083 374140343 /nfs/dbraw/zinc/14/03/43/374140343.db2.gz LDPUFDZQMVSXSU-UHFFFAOYSA-N -1 1 273.735 3.166 20 0 CGADMM O=C([O-])[C@@H]1C=C[C@H](NCc2c(Cl)cccc2Cl)C1 ZINC000310836012 374227489 /nfs/dbraw/zinc/22/74/89/374227489.db2.gz JVINMMORGGQADW-BDAKNGLRSA-N -1 1 286.158 3.112 20 0 CGADMM COCCN(Cc1cccc(O)c1Cl)CC(C)C ZINC000328208458 374360169 /nfs/dbraw/zinc/36/01/69/374360169.db2.gz HXILFOWRVUXYDS-UHFFFAOYSA-N -1 1 271.788 3.150 20 0 CGADMM CCc1nc(CNCc2cccc([O-])c2Cl)cs1 ZINC000328230205 374363486 /nfs/dbraw/zinc/36/34/86/374363486.db2.gz NXQPGAQQYLGZOI-UHFFFAOYSA-N -1 1 282.796 3.354 20 0 CGADMM CC(C)[C@H]1CN(C(=O)c2c(F)ccc([O-])c2F)[C@H]1C(C)C ZINC000456334834 374518295 /nfs/dbraw/zinc/51/82/95/374518295.db2.gz MMAPKKRWHFFWKR-BMIGLBTASA-N -1 1 297.345 3.423 20 0 CGADMM COc1cc(C(=O)N[C@H]2CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000334007336 374636372 /nfs/dbraw/zinc/63/63/72/374636372.db2.gz NFTWUJWOKBQOQO-SKDRFNHKSA-N -1 1 297.782 3.363 20 0 CGADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456780881 374622049 /nfs/dbraw/zinc/62/20/49/374622049.db2.gz JBOXWKHQVOOZDV-BXKDBHETSA-N -1 1 299.317 3.204 20 0 CGADMM CCCc1nc(C)c(C(=O)Nc2ccc([O-])c(F)c2F)o1 ZINC000456790914 374625192 /nfs/dbraw/zinc/62/51/92/374625192.db2.gz XBYKBOUCUZBGOQ-UHFFFAOYSA-N -1 1 296.273 3.172 20 0 CGADMM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464407594 374883270 /nfs/dbraw/zinc/88/32/70/374883270.db2.gz YKSOMXOYGWPGRN-VIFPVBQESA-N -1 1 293.791 3.050 20 0 CGADMM CCC[C@H](CC)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463699226 374846847 /nfs/dbraw/zinc/84/68/47/374846847.db2.gz DWYIATWMYQTUTH-VIFPVBQESA-N -1 1 293.791 3.336 20 0 CGADMM CC1(C)CCC[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335218374 375238298 /nfs/dbraw/zinc/23/82/98/375238298.db2.gz SCCKXWDATMPWQY-QMMMGPOBSA-N -1 1 269.291 3.435 20 0 CGADMM CCC1(CC)CCCN(C(=O)c2ncccc2[O-])CC1 ZINC000189126310 375330280 /nfs/dbraw/zinc/33/02/80/375330280.db2.gz NDVVXQROQZXYIT-UHFFFAOYSA-N -1 1 276.380 3.220 20 0 CGADMM O=C(Nc1c([O-])cc(Br)cc1Cl)C1CC1 ZINC000335909733 375534154 /nfs/dbraw/zinc/53/41/54/375534154.db2.gz CCIZHFDWVDYULW-UHFFFAOYSA-N -1 1 290.544 3.157 20 0 CGADMM O=C([O-])C[C@@H](NCc1cccc(F)c1F)c1cccs1 ZINC000111038447 542001973 /nfs/dbraw/zinc/00/19/73/542001973.db2.gz XXFAHEOLNNEJJM-LLVKDONJSA-N -1 1 297.326 3.332 20 0 CGADMM CC(=O)c1ccc(C(=O)Nc2ccc(F)cc2[O-])s1 ZINC000335960118 375572863 /nfs/dbraw/zinc/57/28/63/375572863.db2.gz VJHXHAYDKPQDTF-UHFFFAOYSA-N -1 1 279.292 3.048 20 0 CGADMM Cc1nc(CN(C)Cc2cccc([O-])c2Cl)cs1 ZINC000507086764 375670664 /nfs/dbraw/zinc/67/06/64/375670664.db2.gz OMZCPEHQQBZVDH-UHFFFAOYSA-N -1 1 282.796 3.443 20 0 CGADMM C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000519399624 375835801 /nfs/dbraw/zinc/83/58/01/375835801.db2.gz XPPISNHTCNIVOE-IJLUTSLNSA-N -1 1 294.395 3.076 20 0 CGADMM CCC[N@@H+](CC)Cc1cc(C(=O)[O-])ccc1Cl ZINC000519547939 375844358 /nfs/dbraw/zinc/84/43/58/375844358.db2.gz NOFQHMIQNCDQLK-UHFFFAOYSA-N -1 1 255.745 3.270 20 0 CGADMM O=C([O-])c1csc(CNCc2cccc3ccccc32)n1 ZINC000336885086 376017595 /nfs/dbraw/zinc/01/75/95/376017595.db2.gz AFSJRBFMGHRVNT-UHFFFAOYSA-N -1 1 298.367 3.284 20 0 CGADMM [O-]c1cccc(CNc2cccc(CO)c2)c1Cl ZINC000336907409 376029240 /nfs/dbraw/zinc/02/92/40/376029240.db2.gz YXKMFGRZLNRHGY-UHFFFAOYSA-N -1 1 263.724 3.150 20 0 CGADMM Cc1nc(CSc2nc(C3CC3)cc(=O)[n-]2)sc1C ZINC000195079474 376075845 /nfs/dbraw/zinc/07/58/45/376075845.db2.gz TVVSQTPRTWOFKY-UHFFFAOYSA-N -1 1 293.417 3.425 20 0 CGADMM CO[C@H](C)c1nc(=N[C@H](C)CCC(C)(C)C)s[n-]1 ZINC000337872439 376243872 /nfs/dbraw/zinc/24/38/72/376243872.db2.gz OMXFVQHJQQNYEE-NXEZZACHSA-N -1 1 271.430 3.294 20 0 CGADMM CC(C)Cc1nnc([N-]C(=O)c2sccc2F)s1 ZINC000339077797 376664179 /nfs/dbraw/zinc/66/41/79/376664179.db2.gz XVZNDYLBXYYWGG-UHFFFAOYSA-N -1 1 285.369 3.190 20 0 CGADMM CSc1n[nH]c(NC(=O)C[C@@H](C)C2CCCCC2)n1 ZINC000340270030 376971538 /nfs/dbraw/zinc/97/15/38/376971538.db2.gz ZGXXJFUXFRGPEF-SECBINFHSA-N -1 1 282.413 3.072 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])C1(c2ccc(F)cc2)CC1 ZINC000340329422 377005425 /nfs/dbraw/zinc/00/54/25/377005425.db2.gz DXKUGDXSNPAGGD-UHFFFAOYSA-N -1 1 289.281 3.341 20 0 CGADMM Cc1ccc(OCC(=O)Nc2ccc(F)cc2[O-])c(C)c1 ZINC000340329854 377005729 /nfs/dbraw/zinc/00/57/29/377005729.db2.gz SJJRHAXDGUUYOV-UHFFFAOYSA-N -1 1 289.306 3.166 20 0 CGADMM Cc1ccc(-c2ccc(CNC(C)(C)C(=O)[O-])o2)cc1 ZINC000340675200 377206158 /nfs/dbraw/zinc/20/61/58/377206158.db2.gz ABFZSCLOLTUXIL-UHFFFAOYSA-N -1 1 273.332 3.208 20 0 CGADMM C[C@@H](CN(C)Cc1nc(C2CCCCC2)cs1)C(=O)[O-] ZINC000515305990 249207522 /nfs/dbraw/zinc/20/75/22/249207522.db2.gz PGOXBZHZHBOMNI-NSHDSACASA-N -1 1 296.436 3.343 20 0 CGADMM C[C@H]1CC[C@@H](Sc2nc(C3CC3)cc(=O)[n-]2)C1 ZINC000516586116 249238425 /nfs/dbraw/zinc/23/84/25/249238425.db2.gz HLGHMOAZSSWILT-WCBMZHEXSA-N -1 1 250.367 3.340 20 0 CGADMM O=C([O-])c1ccc(CNc2cc3c(cn2)CCCC3)cc1 ZINC000263384651 377930527 /nfs/dbraw/zinc/93/05/27/377930527.db2.gz COKMBIRRIBKLTA-UHFFFAOYSA-N -1 1 282.343 3.271 20 0 CGADMM CC1(C)CN(Cc2ccc(C(=O)[O-])cc2)[C@H]1c1ccncc1 ZINC000263442178 377938333 /nfs/dbraw/zinc/93/83/33/377938333.db2.gz WVBGJAXLISMKEV-INIZCTEOSA-N -1 1 296.370 3.363 20 0 CGADMM CCc1ccc([C@@H]2CCCN2Cc2occc2C(=O)[O-])o1 ZINC000577878451 378019070 /nfs/dbraw/zinc/01/90/70/378019070.db2.gz JDFVOCNZURYFFT-ZDUSSCGKSA-N -1 1 289.331 3.470 20 0 CGADMM O=C(CCSCCC(F)(F)F)c1ccc([O-])cc1O ZINC000582191481 378293423 /nfs/dbraw/zinc/29/34/23/378293423.db2.gz YVOQMTCUJIUHAG-UHFFFAOYSA-N -1 1 294.294 3.356 20 0 CGADMM Cc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])co2)o1 ZINC000582186788 378291685 /nfs/dbraw/zinc/29/16/85/378291685.db2.gz QYGYUULMXYRFSP-CYBMUJFWSA-N -1 1 275.304 3.216 20 0 CGADMM Cc1cccc(C2(NC(=O)c3cncc([O-])c3)CCCC2)c1 ZINC000346337017 378548193 /nfs/dbraw/zinc/54/81/93/378548193.db2.gz MNXNMJFEYVLFSF-UHFFFAOYSA-N -1 1 296.370 3.295 20 0 CGADMM CC[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000272087516 378560169 /nfs/dbraw/zinc/56/01/69/378560169.db2.gz SHJPXCJHCAHCDS-SECBINFHSA-N -1 1 287.281 3.283 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C/C2CC2)c1 ZINC000272504385 378651398 /nfs/dbraw/zinc/65/13/98/378651398.db2.gz PUWAKJVBFHXAIV-SNAWJCMRSA-N -1 1 296.164 3.368 20 0 CGADMM O=c1cc(C2CC2)nc(SCCC(F)(F)F)[n-]1 ZINC000277784399 379235788 /nfs/dbraw/zinc/23/57/88/379235788.db2.gz UOVPPTRTWUJTGM-UHFFFAOYSA-N -1 1 264.272 3.104 20 0 CGADMM C[C@H]1CCC[C@H]1CC(=O)Nc1ccc(F)cc1[O-] ZINC000347547687 218268514 /nfs/dbraw/zinc/26/85/14/218268514.db2.gz POPOGIFXZKDAKC-UWVGGRQHSA-N -1 1 251.301 3.296 20 0 CGADMM CCCCO[C@H](C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000278066933 379289147 /nfs/dbraw/zinc/28/91/47/379289147.db2.gz FFPDYTXBSLBLFK-SECBINFHSA-N -1 1 280.299 3.459 20 0 CGADMM [O-]c1ccc(-c2noc(C[C@H]3CCCCO3)n2)c(Cl)c1 ZINC000278082601 379291113 /nfs/dbraw/zinc/29/11/13/379291113.db2.gz GLSVWYLBNFYOIE-SNVBAGLBSA-N -1 1 294.738 3.207 20 0 CGADMM CCCCO[C@@H](C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278267577 379332041 /nfs/dbraw/zinc/33/20/41/379332041.db2.gz VHSNTBIOLJWYAC-VIFPVBQESA-N -1 1 280.299 3.459 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3[C@@H]4CCCC[C@@H]43)n2)cc1F ZINC000278184156 379310967 /nfs/dbraw/zinc/31/09/67/379310967.db2.gz OOMLKZFKFWCLKX-IWIIMEHWSA-N -1 1 274.295 3.485 20 0 CGADMM C[C@@H]1CC[C@@H](CCc2nc(-c3ccc([O-])c(F)c3)no2)O1 ZINC000350839064 379591612 /nfs/dbraw/zinc/59/16/12/379591612.db2.gz SBMLUGKORYDGGZ-KOLCDFICSA-N -1 1 292.310 3.081 20 0 CGADMM CC(C)(NC(=O)N=c1[n-]sc2ccccc21)C1CC1 ZINC000640344078 379770521 /nfs/dbraw/zinc/77/05/21/379770521.db2.gz ZOEIJLNMQCDLCQ-UHFFFAOYSA-N -1 1 275.377 3.028 20 0 CGADMM C[C@H](N(C)C(=O)N=c1[n-]sc2ccccc21)C1(C)CC1 ZINC000640341938 379770664 /nfs/dbraw/zinc/77/06/64/379770664.db2.gz KSBPATLAUGIERR-JTQLQIEISA-N -1 1 289.404 3.371 20 0 CGADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])C(F)(F)F ZINC000389524918 379901090 /nfs/dbraw/zinc/90/10/90/379901090.db2.gz KTMYOKAIPZDBOP-MRVPVSSYSA-N -1 1 283.249 3.226 20 0 CGADMM CN(Cc1ccccn1)Cc1cccc([O-])c1Cl ZINC000352876992 380016193 /nfs/dbraw/zinc/01/61/93/380016193.db2.gz PEMJJUFXHQRJHT-UHFFFAOYSA-N -1 1 262.740 3.073 20 0 CGADMM O=C([O-])CC[C@H]1CCC[N@@H+](CCc2ccccc2Cl)C1 ZINC000643056162 380208737 /nfs/dbraw/zinc/20/87/37/380208737.db2.gz XQXLTDVILSHNMC-CYBMUJFWSA-N -1 1 295.810 3.459 20 0 CGADMM O=C(CCCC1CC1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000643165409 380223121 /nfs/dbraw/zinc/22/31/21/380223121.db2.gz WOQAVKOHYODRHH-UHFFFAOYSA-N -1 1 275.377 3.079 20 0 CGADMM Cc1noc(C2CC2)c1[N-]C(=O)c1coc(C2CCC2)n1 ZINC000194851493 542277264 /nfs/dbraw/zinc/27/72/64/542277264.db2.gz AYRANKOOJDYEGH-UHFFFAOYSA-N -1 1 287.319 3.368 20 0 CGADMM O=C([O-])c1coc(CNCc2ccc(C3CC3)cc2)c1 ZINC000417535478 380634901 /nfs/dbraw/zinc/63/49/01/380634901.db2.gz CJIGGUDQXTWLHC-UHFFFAOYSA-N -1 1 271.316 3.145 20 0 CGADMM Cc1csc(CN[C@@H](CCC(=O)[O-])c2ccccc2)n1 ZINC000417604038 380646909 /nfs/dbraw/zinc/64/69/09/380646909.db2.gz SYLPUYAKTWMKTJ-ZDUSSCGKSA-N -1 1 290.388 3.147 20 0 CGADMM CCc1onc(C)c1[N-]C(=O)c1cc(Br)co1 ZINC000334769192 207045135 /nfs/dbraw/zinc/04/51/35/207045135.db2.gz JNLIDMUNIDOIIR-UHFFFAOYSA-N -1 1 299.124 3.153 20 0 CGADMM C/C=C/c1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000360316297 381512848 /nfs/dbraw/zinc/51/28/48/381512848.db2.gz GPPWVMZFDQEBIK-NSCUHMNNSA-N -1 1 254.289 3.073 20 0 CGADMM CC1CCC(CNC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000280886651 195015986 /nfs/dbraw/zinc/01/59/86/195015986.db2.gz GMNCRGYDEATPLF-UHFFFAOYSA-N -1 1 283.318 3.227 20 0 CGADMM CC(C)(CC(=O)Nc1nc(Cl)ccc1[O-])C(F)(F)F ZINC000281707745 195346115 /nfs/dbraw/zinc/34/61/15/195346115.db2.gz HLWDUPAPIWGKJY-UHFFFAOYSA-N -1 1 296.676 3.358 20 0 CGADMM O=c1[n-]c(-c2nnc(-c3ccccc3)o2)nc2ccccc21 ZINC000349004798 285399960 /nfs/dbraw/zinc/39/99/60/285399960.db2.gz LAWWLVCXWMGPJO-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM CCOc1cc(C(=O)NCC=C(C)C)cc(Cl)c1[O-] ZINC000191750712 130295194 /nfs/dbraw/zinc/29/51/94/130295194.db2.gz NDELJGZWXSRANC-UHFFFAOYSA-N -1 1 283.755 3.140 20 0 CGADMM CCc1noc(C)c1[N-]C(=O)c1ccoc1C(F)(F)F ZINC000362121894 392408262 /nfs/dbraw/zinc/40/82/62/392408262.db2.gz HRNJGUMZDPUTAL-UHFFFAOYSA-N -1 1 288.225 3.410 20 0 CGADMM CO[C@H](C)c1nc(=N[C@@H]2CCC[C@@H](C(C)C)C2)s[n-]1 ZINC000509697253 392768493 /nfs/dbraw/zinc/76/84/93/392768493.db2.gz JDXCNCLEMZJSSO-IJLUTSLNSA-N -1 1 283.441 3.294 20 0 CGADMM CCC[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000213371678 392985143 /nfs/dbraw/zinc/98/51/43/392985143.db2.gz TYMSWPCXKXDGBB-GFCCVEGCSA-N -1 1 265.328 3.326 20 0 CGADMM CC[C@@H](C(=O)[O-])N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000263578950 393152227 /nfs/dbraw/zinc/15/22/27/393152227.db2.gz TZNJCAVYHOVNRH-LBPRGKRZSA-N -1 1 288.174 3.215 20 0 CGADMM CC(C)(C)C(C)(C)CNC(=O)c1ccc([O-])c(F)c1 ZINC000647069392 393336045 /nfs/dbraw/zinc/33/60/45/393336045.db2.gz NZGGCHJNBYORHC-UHFFFAOYSA-N -1 1 267.344 3.333 20 0 CGADMM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000356333895 393422369 /nfs/dbraw/zinc/42/23/69/393422369.db2.gz GZBVTZNGKKLIQU-MNOVXSKESA-N -1 1 287.363 3.403 20 0 CGADMM CC(C)c1nc(=NC[C@@H]2CCCC[C@@H]2C(F)(F)F)o[n-]1 ZINC000484829868 393444970 /nfs/dbraw/zinc/44/49/70/393444970.db2.gz PKUPSPCEWAWUBN-UWVGGRQHSA-N -1 1 291.317 3.396 20 0 CGADMM CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000356522521 393471309 /nfs/dbraw/zinc/47/13/09/393471309.db2.gz VHVXGDVZUFLBNV-PELKAZGASA-N -1 1 271.744 3.045 20 0 CGADMM Cc1cccnc1/C=C\c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445479677 393798607 /nfs/dbraw/zinc/79/86/07/393798607.db2.gz KFNTZTUOYLRYKU-ALCCZGGFSA-N -1 1 297.289 3.455 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\c3cccnc3)n2)cc1F ZINC000445476212 393799095 /nfs/dbraw/zinc/79/90/95/393799095.db2.gz ZUWMUUPNCAYTCD-UTCJRWHESA-N -1 1 283.262 3.147 20 0 CGADMM COc1cc(C(=O)NCC2=CCCCC2)cc(Cl)c1[O-] ZINC000452705777 394104368 /nfs/dbraw/zinc/10/43/68/394104368.db2.gz VLIXZVMWJHWECJ-UHFFFAOYSA-N -1 1 295.766 3.284 20 0 CGADMM C[C@@H]1SCC[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000380353423 397687918 /nfs/dbraw/zinc/68/79/18/397687918.db2.gz YXJZYPMHAGMGRX-IINYFYTJSA-N -1 1 287.384 3.169 20 0 CGADMM O=C([O-])CN(Cc1csc(Cl)c1Cl)CC1CC1 ZINC000650799184 397923185 /nfs/dbraw/zinc/92/31/85/397923185.db2.gz WJGZCWMUQMATCY-UHFFFAOYSA-N -1 1 294.203 3.352 20 0 CGADMM Cc1cc(F)c(CN(CC(=O)[O-])CC2CC2)c(Cl)c1 ZINC000650799216 397923416 /nfs/dbraw/zinc/92/34/16/397923416.db2.gz XECHOZLHGJMTFC-UHFFFAOYSA-N -1 1 285.746 3.084 20 0 CGADMM CCc1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000048653259 286908771 /nfs/dbraw/zinc/90/87/71/286908771.db2.gz UYFOHZRDNPRQJM-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM O=C(N[C@H]1CC=CCC1)c1cc2ccccc2cc1[O-] ZINC000080110567 287063276 /nfs/dbraw/zinc/06/32/76/287063276.db2.gz IOXGYLFVGAIPMV-AWEZNQCLSA-N -1 1 267.328 3.384 20 0 CGADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000080716530 287068078 /nfs/dbraw/zinc/06/80/78/287068078.db2.gz SFVMWEZUZORVLL-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM CCCC(C)(C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084937326 287081433 /nfs/dbraw/zinc/08/14/33/287081433.db2.gz UXLQZKYUOWPSLR-UHFFFAOYSA-N -1 1 281.377 3.290 20 0 CGADMM CCC[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCO1 ZINC000089944511 165221262 /nfs/dbraw/zinc/22/12/62/165221262.db2.gz LHGUIWCLLZRGSZ-HNNXBMFYSA-N -1 1 299.370 3.187 20 0 CGADMM CCOc1ccc(S(=O)(=O)[N-]c2ccsc2)c(C)c1 ZINC000174252892 165571991 /nfs/dbraw/zinc/57/19/91/165571991.db2.gz DYVYYZNPQOHPRT-UHFFFAOYSA-N -1 1 297.401 3.256 20 0 CGADMM O=C(c1ccccc1[O-])N1CCCc2cc(F)ccc21 ZINC000122047499 287205774 /nfs/dbraw/zinc/20/57/74/287205774.db2.gz LUUSBORQCRWWNE-UHFFFAOYSA-N -1 1 271.291 3.124 20 0 CGADMM Cc1ccc(F)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000128599071 287314404 /nfs/dbraw/zinc/31/44/04/287314404.db2.gz XLYFLLVQOGFCIL-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CC1CCC(N(C)C(=O)c2cc(F)ccc2[O-])CC1 ZINC000128621943 287315082 /nfs/dbraw/zinc/31/50/82/287315082.db2.gz IYAVRFBYBGSDHR-UHFFFAOYSA-N -1 1 265.328 3.182 20 0 CGADMM O=c1[nH]c(-c2ccc([O-])c(F)c2)nc2ccc(Cl)cc12 ZINC000128657209 287315645 /nfs/dbraw/zinc/31/56/45/287315645.db2.gz BMVQEKVOAZHLOK-UHFFFAOYSA-N -1 1 290.681 3.088 20 0 CGADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000048652180 416455683 /nfs/dbraw/zinc/45/56/83/416455683.db2.gz GMWUEAKAAKLOJU-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000312273064 416533659 /nfs/dbraw/zinc/53/36/59/416533659.db2.gz ANVWRGPSXVVEBB-SCVCMEIPSA-N -1 1 283.318 3.068 20 0 CGADMM C[C@@H]1SCC[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000313296542 416536375 /nfs/dbraw/zinc/53/63/75/416536375.db2.gz GSEQZDYIEXZROJ-IINYFYTJSA-N -1 1 287.384 3.169 20 0 CGADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1c([O-])cccc1F ZINC000681481894 543790145 /nfs/dbraw/zinc/79/01/45/543790145.db2.gz XUYLEXXUWXAARU-OTYXRUKQSA-N -1 1 251.301 3.152 20 0 CGADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1c([O-])cccc1F ZINC000681481893 543790196 /nfs/dbraw/zinc/79/01/96/543790196.db2.gz XUYLEXXUWXAARU-LKFCYVNXSA-N -1 1 251.301 3.152 20 0 CGADMM O=C(NCC1(c2ccccc2)CCC1)c1ccc([O-])c(F)c1 ZINC000681014360 543756858 /nfs/dbraw/zinc/75/68/58/543756858.db2.gz LNVBHNXFNDODIZ-UHFFFAOYSA-N -1 1 299.345 3.383 20 0 CGADMM C[C@H](c1cccs1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000681019749 543757274 /nfs/dbraw/zinc/75/72/74/543757274.db2.gz QJPROBXEFYZSKK-SECBINFHSA-N -1 1 279.336 3.426 20 0 CGADMM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681018637 543757960 /nfs/dbraw/zinc/75/79/60/543757960.db2.gz 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ZINC000652389400 418960636 /nfs/dbraw/zinc/96/06/36/418960636.db2.gz YQXFUHWLDJZMKQ-VIFPVBQESA-N -1 1 265.334 3.232 20 0 CGADMM CCCCc1nc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cs1 ZINC000652496973 418976358 /nfs/dbraw/zinc/97/63/58/418976358.db2.gz HRUWVQMRTIGUSS-WCQYABFASA-N -1 1 296.436 3.028 20 0 CGADMM CCN(CCC(F)(F)F)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000659786745 418989916 /nfs/dbraw/zinc/98/99/16/418989916.db2.gz BAFXCRPETOMJIU-UHFFFAOYSA-N -1 1 293.260 3.298 20 0 CGADMM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000652758063 418990663 /nfs/dbraw/zinc/99/06/63/418990663.db2.gz HCCNGBIKMGSFOB-WCBMZHEXSA-N -1 1 283.318 3.225 20 0 CGADMM CCCc1nc(C)c(C(=O)[N-]c2ncccc2SC)o1 ZINC000652878035 418998285 /nfs/dbraw/zinc/99/82/85/418998285.db2.gz PNBNRDFLPTUSGA-UHFFFAOYSA-N -1 1 291.376 3.305 20 0 CGADMM C[C@H](c1ccc(C(C)(C)C)cc1)N(C)Cc1n[n-]c(=O)o1 ZINC000660841791 419204301 /nfs/dbraw/zinc/20/43/01/419204301.db2.gz IMIBZIWKBIFJRF-LLVKDONJSA-N -1 1 289.379 3.266 20 0 CGADMM CC(C)(C(=O)[O-])c1ccccc1-c1cc(C(F)(F)F)n[nH]1 ZINC000657203398 419230615 /nfs/dbraw/zinc/23/06/15/419230615.db2.gz UXUCGIHVWVKHRS-UHFFFAOYSA-N -1 1 298.264 3.458 20 0 CGADMM Cc1[nH]nc2ccc(-c3nn(C(C)(C)C)cc3C(=O)[O-])cc12 ZINC000657203439 419230912 /nfs/dbraw/zinc/23/09/12/419230912.db2.gz XZDZCWMRTVVICY-UHFFFAOYSA-N -1 1 298.346 3.188 20 0 CGADMM CO[C@@H](CSc1ncc(C)c(=O)[n-]1)C1CCCCC1 ZINC000657261910 419238952 /nfs/dbraw/zinc/23/89/52/419238952.db2.gz UFKYKSSFBRLUCJ-LBPRGKRZSA-N -1 1 282.409 3.178 20 0 CGADMM CC(C)C(C)(C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000521382189 260091535 /nfs/dbraw/zinc/09/15/35/260091535.db2.gz RIBAUVFYPLSMKH-UHFFFAOYSA-N -1 1 293.791 3.192 20 0 CGADMM O=C(N[C@@H]1CCCc2ccccc21)c1c([O-])cccc1F ZINC000228835584 270088041 /nfs/dbraw/zinc/08/80/41/270088041.db2.gz BTJIWPIVXXUKRO-CQSZACIVSA-N -1 1 285.318 3.339 20 0 CGADMM O=C(NCCC[C@H]1CCOC1)c1cc2ccccc2cc1[O-] ZINC000401379334 288055839 /nfs/dbraw/zinc/05/58/39/288055839.db2.gz ILUZBAGJBAPXGD-ZDUSSCGKSA-N -1 1 299.370 3.092 20 0 CGADMM CC(C)(O)CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529540449 288261490 /nfs/dbraw/zinc/26/14/90/288261490.db2.gz ZFVZXVXYZJGDAY-UHFFFAOYSA-N -1 1 293.750 3.298 20 0 CGADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2cccc(F)c2[O-])C1 ZINC000530004789 288280955 /nfs/dbraw/zinc/28/09/55/288280955.db2.gz GQIZVICUFQWPRA-MNOVXSKESA-N -1 1 281.327 3.065 20 0 CGADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cccc(F)c1[O-] ZINC000530005933 288281683 /nfs/dbraw/zinc/28/16/83/288281683.db2.gz ONKDOLJXGUCWLG-MRVPVSSYSA-N -1 1 291.326 3.004 20 0 CGADMM CC(C)Cc1nc(C(=O)Nc2cccc(F)c2[O-])cs1 ZINC000530006385 288281960 /nfs/dbraw/zinc/28/19/60/288281960.db2.gz PCXGMTLIZOSKFZ-UHFFFAOYSA-N -1 1 294.351 3.439 20 0 CGADMM C[C@H]1C(=O)CC[C@H](C(=O)Nc2cccc(F)c2[O-])C1(C)C ZINC000530007201 288282523 /nfs/dbraw/zinc/28/25/23/288282523.db2.gz ZZBWIVLTTDRMQM-VHSXEESVSA-N -1 1 293.338 3.111 20 0 CGADMM COc1c(C)cc(C(=O)Nc2ccc(F)cc2[O-])cc1C ZINC000539101811 288604725 /nfs/dbraw/zinc/60/47/25/288604725.db2.gz SPENPQMWRFGJRA-UHFFFAOYSA-N -1 1 289.306 3.409 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3C3CC3)n2)c(F)c1 ZINC000556000856 289366777 /nfs/dbraw/zinc/36/67/77/289366777.db2.gz AZAVGMJABOGPMB-WDEREUQCSA-N -1 1 260.268 3.095 20 0 CGADMM C[C@H]1COC(C)(C)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436730710 300331983 /nfs/dbraw/zinc/33/19/83/300331983.db2.gz HVAPKUPTOFUSGQ-LBPRGKRZSA-N -1 1 299.370 3.185 20 0 CGADMM CCOc1cc(C(=O)NC[C@H](C)C(C)C)cc(Cl)c1[O-] ZINC000186827849 327703459 /nfs/dbraw/zinc/70/34/59/327703459.db2.gz MMTWHDAULDPTBB-JTQLQIEISA-N -1 1 299.798 3.466 20 0 CGADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(C2CC2)cc1 ZINC000584339925 328127820 /nfs/dbraw/zinc/12/78/20/328127820.db2.gz MGIFDLUFRDEETC-LLVKDONJSA-N -1 1 282.343 3.156 20 0 CGADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(C2CC2)n(CC)n1 ZINC000563623386 322004296 /nfs/dbraw/zinc/00/42/96/322004296.db2.gz FOTVHKLLAPSALJ-GFCCVEGCSA-N -1 1 299.440 3.101 20 0 CGADMM Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000565108034 322060888 /nfs/dbraw/zinc/06/08/88/322060888.db2.gz UJBIOGSWYSFYRB-CYBMUJFWSA-N -1 1 287.359 3.349 20 0 CGADMM CCc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])o2)o1 ZINC000566979135 322145546 /nfs/dbraw/zinc/14/55/46/322145546.db2.gz NKKZUWXCOCNRRB-CYBMUJFWSA-N -1 1 289.331 3.470 20 0 CGADMM C[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000568521133 322212842 /nfs/dbraw/zinc/21/28/42/322212842.db2.gz SECNPBIHPCKBGS-KYZUINATSA-N -1 1 269.291 3.435 20 0 CGADMM O=c1[n-]c(C(F)(F)c2ccc(F)cc2)nc2cccnc21 ZINC000569424147 322246815 /nfs/dbraw/zinc/24/68/15/322246815.db2.gz BTSKKJKELALMNO-UHFFFAOYSA-N -1 1 291.232 3.010 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1C[C@H]1C1CCC1 ZINC000572127762 322321370 /nfs/dbraw/zinc/32/13/70/322321370.db2.gz SAUADOTXZTUXQJ-DTWKUNHWSA-N -1 1 267.275 3.045 20 0 CGADMM [O-]c1ccc(-c2noc(C[C@H]3C=CCCC3)n2)c(F)c1 ZINC000583051057 329303685 /nfs/dbraw/zinc/30/36/85/329303685.db2.gz XMCBRGTUGAPWKV-JTQLQIEISA-N -1 1 274.295 3.480 20 0 CGADMM O=C([O-])c1coc(CN2CCC(c3ccsc3)CC2)c1 ZINC000584534851 329515741 /nfs/dbraw/zinc/51/57/41/329515741.db2.gz GWDKATIDLBSFSE-UHFFFAOYSA-N -1 1 291.372 3.419 20 0 CGADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000580511901 331307998 /nfs/dbraw/zinc/30/79/98/331307998.db2.gz NMRIOUTYPIJTPO-SNVBAGLBSA-N -1 1 291.800 3.366 20 0 CGADMM C[C@H]1CN(C(=O)c2cncc([O-])c2)CC[C@@H]1c1ccccc1 ZINC000174230108 335150744 /nfs/dbraw/zinc/15/07/44/335150744.db2.gz YMJIVKKLCWFBPS-GUYCJALGSA-N -1 1 296.370 3.053 20 0 CGADMM C[C@@H]1CN(C(=O)c2cncc([O-])c2)CC[C@@H]1c1ccccc1 ZINC000174230094 335150808 /nfs/dbraw/zinc/15/08/08/335150808.db2.gz YMJIVKKLCWFBPS-DYVFJYSZSA-N -1 1 296.370 3.053 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@@H]2CCC[C@@H](C)C2)n1 ZINC000576692265 335234775 /nfs/dbraw/zinc/23/47/75/335234775.db2.gz RDCSEFBVZGMNCA-MWLCHTKSSA-N -1 1 252.383 3.415 20 0 CGADMM F[C@H]1CCC[C@@H](N=c2[n-]c(C(F)(F)F)cs2)C1 ZINC000576699332 335235550 /nfs/dbraw/zinc/23/55/50/335235550.db2.gz LZWXRTTVJMCQEA-NKWVEPMBSA-N -1 1 268.279 3.276 20 0 CGADMM CCc1ocnc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350813120 335536134 /nfs/dbraw/zinc/53/61/34/335536134.db2.gz IHTQVVJWGCQTSG-UHFFFAOYSA-N -1 1 291.694 3.313 20 0 CGADMM C[C@H]1CC[C@@H](CCc2nc(-c3ccc([O-])c(F)c3)no2)O1 ZINC000350839067 335538726 /nfs/dbraw/zinc/53/87/26/335538726.db2.gz SBMLUGKORYDGGZ-ONGXEEELSA-N -1 1 292.310 3.081 20 0 CGADMM CSCC1CCC(NC(=O)c2cc(F)ccc2[O-])CC1 ZINC000385714523 336154859 /nfs/dbraw/zinc/15/48/59/336154859.db2.gz RLZIVFRPTRGSNC-UHFFFAOYSA-N -1 1 297.395 3.183 20 0 CGADMM COc1cc(Cl)c(NC(=O)c2cncc([O-])c2)cc1C ZINC000426005521 533941495 /nfs/dbraw/zinc/94/14/95/533941495.db2.gz YEXROHGWVSRQOW-UHFFFAOYSA-N -1 1 292.722 3.010 20 0 CGADMM Cc1ccc(CNC(=O)c2c([O-])cccc2F)c(C)c1 ZINC000436940910 534046698 /nfs/dbraw/zinc/04/66/98/534046698.db2.gz ATEUHJFVSBYFGR-UHFFFAOYSA-N -1 1 273.307 3.078 20 0 CGADMM O=C([O-])C[C@@H](NCc1ccccc1F)c1ccsc1 ZINC000426689544 534501749 /nfs/dbraw/zinc/50/17/49/534501749.db2.gz ZNADBLXBSVETQK-CYBMUJFWSA-N -1 1 279.336 3.193 20 0 CGADMM CCOC1CC(N(C)C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000290154363 521650535 /nfs/dbraw/zinc/65/05/35/521650535.db2.gz JGTXGKSEZIQKJN-UHFFFAOYSA-N -1 1 299.370 3.185 20 0 CGADMM CCc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000050510847 523944450 /nfs/dbraw/zinc/94/44/50/523944450.db2.gz GUNRMPVLHMSYME-CQSZACIVSA-N -1 1 275.373 3.226 20 0 CGADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1 ZINC000436476839 526279325 /nfs/dbraw/zinc/27/93/25/526279325.db2.gz GWAKJNHYWUZEDT-UHFFFAOYSA-N -1 1 295.310 3.409 20 0 CGADMM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000412825662 526661760 /nfs/dbraw/zinc/66/17/60/526661760.db2.gz PQIPTEJLHXINCB-OCCSQVGLSA-N -1 1 279.355 3.476 20 0 CGADMM CC(C)CC(CC(C)C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436982196 527681961 /nfs/dbraw/zinc/68/19/61/527681961.db2.gz TYLPKYNNBIYBID-UHFFFAOYSA-N -1 1 291.391 3.152 20 0 CGADMM CCOc1cc(-c2nc3ccc(C)cc3c(=O)[n-]2)ccc1O ZINC000436596286 528187098 /nfs/dbraw/zinc/18/70/98/528187098.db2.gz PLBNOTLKXYCHHL-UHFFFAOYSA-N -1 1 296.326 3.415 20 0 CGADMM CC(C)C[C@@H]1CCCCCN1C(=O)c1cncc([O-])c1 ZINC000173259001 528372210 /nfs/dbraw/zinc/37/22/10/528372210.db2.gz YUQJNJSGQPOOBR-AWEZNQCLSA-N -1 1 276.380 3.218 20 0 CGADMM CC1(C)CC[C@@H](CNC(=O)c2cc3ccccc3cc2[O-])O1 ZINC000436780832 529022748 /nfs/dbraw/zinc/02/27/48/529022748.db2.gz GWOJTVNLGUUMKX-AWEZNQCLSA-N -1 1 299.370 3.233 20 0 CGADMM CC[C@H](C)[C@H](OC)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436869936 529266423 /nfs/dbraw/zinc/26/64/23/529266423.db2.gz CIHZWBGPTKWHOO-UFBFGSQYSA-N -1 1 280.299 3.315 20 0 CGADMM CC[C@H]1C[C@@]1(NC(=O)c1cncc([O-])c1)c1cccc(C)c1 ZINC000355847854 529321703 /nfs/dbraw/zinc/32/17/03/529321703.db2.gz QGEZTMVSTZWLPZ-KSSFIOAISA-N -1 1 296.370 3.151 20 0 CGADMM CC[C@H](CNC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000436942142 529357908 /nfs/dbraw/zinc/35/79/08/529357908.db2.gz AVYKZTUCOBVZGU-GFCCVEGCSA-N -1 1 287.334 3.455 20 0 CGADMM CC[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000517936478 535805690 /nfs/dbraw/zinc/80/56/90/535805690.db2.gz UDIVRFRRTJVOHI-CYBMUJFWSA-N -1 1 277.295 3.039 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@H]2CCC(F)(F)C2)n1 ZINC000450903987 536155243 /nfs/dbraw/zinc/15/52/43/536155243.db2.gz DGSNLHLUGVRJFD-QMMMGPOBSA-N -1 1 274.336 3.272 20 0 CGADMM O=C([N-]CCc1c[nH]c2cc(Cl)ccc12)C(F)(F)F ZINC000725892611 572484041 /nfs/dbraw/zinc/48/40/41/572484041.db2.gz GXRYFAJYGLZREK-UHFFFAOYSA-N -1 1 290.672 3.042 20 0 CGADMM CCC(CC)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000736346038 572783778 /nfs/dbraw/zinc/78/37/78/572783778.db2.gz PBPYHVORNNMJGF-UHFFFAOYSA-N -1 1 282.351 3.015 20 0 CGADMM CCC(CC)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000736346038 572783780 /nfs/dbraw/zinc/78/37/80/572783780.db2.gz PBPYHVORNNMJGF-UHFFFAOYSA-N -1 1 282.351 3.015 20 0 CGADMM CCc1nc(COC(=O)c2c([O-])cc(F)cc2F)cs1 ZINC000749279242 572991522 /nfs/dbraw/zinc/99/15/22/572991522.db2.gz BCJLTIKSTUGAAI-UHFFFAOYSA-N -1 1 299.298 3.046 20 0 CGADMM C[C@@H]1CN(Cc2cc(Cl)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000087761624 601514795 /nfs/dbraw/zinc/51/47/95/601514795.db2.gz JOYBWCCHNRJNGV-KCJUWKMLSA-N -1 1 288.174 3.146 20 0 CGADMM CC[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cn1 ZINC000820284936 598212370 /nfs/dbraw/zinc/21/23/70/598212370.db2.gz IOYYKUGCGNDGEM-AWEZNQCLSA-N -1 1 288.322 3.160 20 0 CGADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(C)cc1 ZINC000820926646 599464415 /nfs/dbraw/zinc/46/44/15/599464415.db2.gz URFORDDBUFKKAL-ZDUSSCGKSA-N -1 1 294.362 3.133 20 0 CGADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(C)cc1 ZINC000820926646 599464417 /nfs/dbraw/zinc/46/44/17/599464417.db2.gz URFORDDBUFKKAL-ZDUSSCGKSA-N -1 1 294.362 3.133 20 0 CGADMM C[C@@H]1c2ccccc2CN1CCOc1cccc(C(=O)[O-])c1 ZINC000828528524 601117217 /nfs/dbraw/zinc/11/72/17/601117217.db2.gz WWKAEJOJPAFIFY-CYBMUJFWSA-N -1 1 297.354 3.340 20 0 CGADMM CC[C@H](c1ccc(Cl)cc1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000829020927 601444635 /nfs/dbraw/zinc/44/46/35/601444635.db2.gz NGEOWVBKIYRDPN-OCCSQVGLSA-N -1 1 285.746 3.290 20 0 CGADMM Clc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826352839 607522784 /nfs/dbraw/zinc/52/27/84/607522784.db2.gz PXZWPVNNPJEHJA-UHFFFAOYSA-N -1 1 291.767 3.194 20 0 CGADMM Cc1cc(CN2CCC(OC(C)(C)C)CC2)oc1C(=O)[O-] ZINC000832882326 602337541 /nfs/dbraw/zinc/33/75/41/602337541.db2.gz DRQUAPAGCLLIKV-UHFFFAOYSA-N -1 1 295.379 3.066 20 0 CGADMM O=c1cc(CC2CC2)[n-]n1-c1cc(F)cc(Cl)c1 ZINC000899351547 620659469 /nfs/dbraw/zinc/65/94/69/620659469.db2.gz NFBVEPSGTHCAKX-UHFFFAOYSA-N -1 1 266.703 3.372 20 0 CGADMM O=C([O-])N1CCc2cccc(CNCc3ccsc3)c21 ZINC000832086712 603851128 /nfs/dbraw/zinc/85/11/28/603851128.db2.gz IAFCHQXUJHBOPP-UHFFFAOYSA-N -1 1 288.372 3.078 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccc(F)cc3Cl)c(=O)c21 ZINC000899362592 620668718 /nfs/dbraw/zinc/66/87/18/620668718.db2.gz XXQNRFVPNNVENN-MADCSZMMSA-N -1 1 266.703 3.228 20 0 CGADMM Cc1cccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])o2)n1 ZINC000832967028 604367712 /nfs/dbraw/zinc/36/77/12/604367712.db2.gz ADWTVUJLMJVMMY-AWEZNQCLSA-N -1 1 286.331 3.018 20 0 CGADMM C[C@H]1CCN(C(=O)c2cncc([O-])c2)[C@H]1c1ccccc1 ZINC000899377111 620673238 /nfs/dbraw/zinc/67/32/38/620673238.db2.gz UHKBYQILNUNBDC-BLLLJJGKSA-N -1 1 282.343 3.011 20 0 CGADMM C[C@@H](c1cccnc1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833548674 604912836 /nfs/dbraw/zinc/91/28/36/604912836.db2.gz GTRJYXJXSOKNIW-NSHDSACASA-N -1 1 288.322 3.112 20 0 CGADMM CC(C)N(CCC(=O)[O-])Cc1ncc(Cl)cc1Cl ZINC000833497873 605240068 /nfs/dbraw/zinc/24/00/68/605240068.db2.gz NEUHWCMANSWWFQ-UHFFFAOYSA-N -1 1 291.178 3.074 20 0 CGADMM CCC(CC)(CN[C@H](C)c1nc(C)sc1C)NC(=O)[O-] ZINC000826561395 605510431 /nfs/dbraw/zinc/51/04/31/605510431.db2.gz XTJMXOARWGEQGM-SECBINFHSA-N -1 1 299.440 3.237 20 0 CGADMM O=C([O-])c1ccc(F)c(CNC2(c3ccccc3)CC2)c1 ZINC000833780822 605845442 /nfs/dbraw/zinc/84/54/42/605845442.db2.gz GAVDJSACQVKCPA-UHFFFAOYSA-N -1 1 285.318 3.303 20 0 CGADMM C[C@H](c1cc(F)ccc1F)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833831595 605909681 /nfs/dbraw/zinc/90/96/81/605909681.db2.gz OOBSFAYCCQAXLJ-MXWKQRLJSA-N -1 1 298.333 3.004 20 0 CGADMM Cc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1C ZINC000822324302 606411246 /nfs/dbraw/zinc/41/12/46/606411246.db2.gz ZANVPMVDWAUPAP-UHFFFAOYSA-N -1 1 285.376 3.157 20 0 CGADMM Cc1ccc(C)c(CSc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826284971 607898855 /nfs/dbraw/zinc/89/88/55/607898855.db2.gz MJCKURORCHDPMR-UHFFFAOYSA-N -1 1 297.387 3.171 20 0 CGADMM Cc1ccc(C)c(CSc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826284971 607898856 /nfs/dbraw/zinc/89/88/56/607898856.db2.gz MJCKURORCHDPMR-UHFFFAOYSA-N -1 1 297.387 3.171 20 0 CGADMM CCC[C@@H](C)CC(=O)NCCc1n[n-]c(=S)n1C(C)C ZINC000067074656 617610664 /nfs/dbraw/zinc/61/06/64/617610664.db2.gz WITKFPQKDKSTSR-LLVKDONJSA-N -1 1 298.456 3.007 20 0 CGADMM CCOc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)o1 ZINC000900022193 620747860 /nfs/dbraw/zinc/74/78/60/620747860.db2.gz HHSQZXXXULSYBA-GFCCVEGCSA-N -1 1 295.360 3.045 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N(CC(F)(F)F)C1CC1 ZINC000042307105 620750496 /nfs/dbraw/zinc/75/04/96/620750496.db2.gz LLSHOAOJFWMZQP-UHFFFAOYSA-N -1 1 293.672 3.213 20 0 CGADMM CC[C@H](C)CN(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000900656525 620805156 /nfs/dbraw/zinc/80/51/56/620805156.db2.gz POGROHHMYGYWRY-JTQLQIEISA-N -1 1 290.338 3.198 20 0 CGADMM COc1cccc([O-])c1C(=O)N1CC2(CC2)c2ccccc21 ZINC000900789965 620813322 /nfs/dbraw/zinc/81/33/22/620813322.db2.gz ISUUJLVRSMSRAP-UHFFFAOYSA-N -1 1 295.338 3.093 20 0 CGADMM C[C@@H](C[N-]C(=O)C(F)(F)C(F)F)c1ccc(F)cc1F ZINC000176968026 618770300 /nfs/dbraw/zinc/77/03/00/618770300.db2.gz OFHRTWQIQWPKCA-LURJTMIESA-N -1 1 299.214 3.085 20 0 CGADMM CC(C)n1c(CNC(=O)CCCC(C)(C)C)n[n-]c1=S ZINC000066639030 618863537 /nfs/dbraw/zinc/86/35/37/618863537.db2.gz YEDLPLFVYQXGQD-UHFFFAOYSA-N -1 1 298.456 3.354 20 0 CGADMM O=C(/C=C/c1ccc(Cl)nc1)Nc1c([O-])cccc1F ZINC000092551440 619098644 /nfs/dbraw/zinc/09/86/44/619098644.db2.gz AZQKHEXXMZHCNQ-FNORWQNLSA-N -1 1 292.697 3.232 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2c([O-])cccc2Cl)o1 ZINC000049082271 619681574 /nfs/dbraw/zinc/68/15/74/619681574.db2.gz UCQLTVSGLNFTHR-UHFFFAOYSA-N -1 1 279.723 3.219 20 0 CGADMM Cc1ccc2oc([N-]c3cnn4c3NC[C@@H](C)C4)nc2c1 ZINC000894952032 619688355 /nfs/dbraw/zinc/68/83/55/619688355.db2.gz ZEZZDZXLBPQQPU-SNVBAGLBSA-N -1 1 283.335 3.138 20 0 CGADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000895464926 619834370 /nfs/dbraw/zinc/83/43/70/619834370.db2.gz KQWVJDHWROTEBE-VXGBXAGGSA-N -1 1 299.370 3.369 20 0 CGADMM [O-]c1ccc(-c2noc([C@H](O)C3CCCCC3)n2)c(F)c1 ZINC000896220712 619966085 /nfs/dbraw/zinc/96/60/85/619966085.db2.gz IRHWVSDTQNTDGD-CYBMUJFWSA-N -1 1 292.310 3.195 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2cc(F)cc(C(F)(F)F)c2)S1 ZINC000148217467 620157347 /nfs/dbraw/zinc/15/73/47/620157347.db2.gz NRQFIBJQZRPMGS-FPYGCLRLSA-N -1 1 291.225 3.168 20 0 CGADMM CC(C)Cn1ccc(C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000897192677 620157687 /nfs/dbraw/zinc/15/76/87/620157687.db2.gz IHBXSAZSKLBFTR-UHFFFAOYSA-N -1 1 293.754 3.150 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CN[C@@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000263437481 620318602 /nfs/dbraw/zinc/31/86/02/620318602.db2.gz VCWMOULJGJBGLF-MAZHCROVSA-N -1 1 299.370 3.189 20 0 CGADMM CCc1ccc([C@@H](C)C(=O)[N-]OCc2cccc(C)n2)cc1 ZINC000898934736 620610211 /nfs/dbraw/zinc/61/02/11/620610211.db2.gz ASEDYEKMJXUKBB-CQSZACIVSA-N -1 1 298.386 3.304 20 0 CGADMM O=C([O-])CCN(Cc1ccc(Cl)o1)Cc1ccccc1 ZINC000901561576 620930126 /nfs/dbraw/zinc/93/01/26/620930126.db2.gz QFAGACGWAHEYKI-UHFFFAOYSA-N -1 1 293.750 3.410 20 0 CGADMM CCc1ccc(CN[C@H](C(=O)[O-])c2cccs2)s1 ZINC000901599274 620949502 /nfs/dbraw/zinc/94/95/02/620949502.db2.gz UKYUPYVMKLKVPB-LBPRGKRZSA-N -1 1 281.402 3.288 20 0 CGADMM CCc1cccc2cc(CN3CCCC[C@H]3C(=O)[O-])oc21 ZINC000901969195 621082705 /nfs/dbraw/zinc/08/27/05/621082705.db2.gz WNXBGHZNSWPMQC-HNNXBMFYSA-N -1 1 287.359 3.434 20 0 CGADMM CCc1cccc2cc(CN(CC(=O)[O-])C3CCC3)oc21 ZINC000902044698 621114937 /nfs/dbraw/zinc/11/49/37/621114937.db2.gz JZUBROJMGZYTGT-UHFFFAOYSA-N -1 1 287.359 3.434 20 0 CGADMM CCc1oc(CNCc2cccc(C)c2)cc1C(=O)[O-] ZINC000902102037 621135863 /nfs/dbraw/zinc/13/58/63/621135863.db2.gz XYEUFZHBBIUUFH-UHFFFAOYSA-N -1 1 273.332 3.138 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CCCc2occc21 ZINC000902130511 621166550 /nfs/dbraw/zinc/16/65/50/621166550.db2.gz GJOMVYSJJJMPBP-GFCCVEGCSA-N -1 1 275.304 3.046 20 0 CGADMM COc1c(C)cccc1CNCc1csc(C(=O)[O-])c1 ZINC000902298251 621243509 /nfs/dbraw/zinc/24/35/09/621243509.db2.gz QBXBHBQCNMWMGX-UHFFFAOYSA-N -1 1 291.372 3.053 20 0 CGADMM Cc1ccc(C2(NCc3cc(C(=O)[O-])co3)CCC2)cc1 ZINC000902308610 621248886 /nfs/dbraw/zinc/24/88/86/621248886.db2.gz DVIFJAVGHTXWHG-UHFFFAOYSA-N -1 1 285.343 3.455 20 0 CGADMM O=C([O-])c1csc(CN[C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000902340441 621253168 /nfs/dbraw/zinc/25/31/68/621253168.db2.gz HOXZXELEJWELCY-DZGCQCFKSA-N -1 1 291.347 3.173 20 0 CGADMM C[C@@H]1C[C@H](NCC(F)(F)C(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000902469947 621340115 /nfs/dbraw/zinc/34/01/15/621340115.db2.gz CLQOVEZNLIARTM-MXWKQRLJSA-N -1 1 277.355 3.147 20 0 CGADMM C[C@H]1[C@H](NCC(F)(F)C(C)(C)C)CC[C@H]1CC(=O)[O-] ZINC000902470903 621341565 /nfs/dbraw/zinc/34/15/65/621341565.db2.gz TTZUJQIIOCCVCF-OUAUKWLOSA-N -1 1 277.355 3.147 20 0 CGADMM Cc1occc1CN(C)[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000903887761 621823430 /nfs/dbraw/zinc/82/34/30/621823430.db2.gz CYNOKMYKKHASKH-INIZCTEOSA-N -1 1 287.359 3.106 20 0 CGADMM C[C@@H]1CC[C@H](C)N1Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903898978 621830013 /nfs/dbraw/zinc/83/00/13/621830013.db2.gz TXSVMDVZLLRDJO-OCAPTIKFSA-N -1 1 291.269 3.369 20 0 CGADMM CCc1cccc2cc(CN[C@H](C(=O)[O-])C3CCC3)oc21 ZINC000904047963 621862603 /nfs/dbraw/zinc/86/26/03/621862603.db2.gz LCJRYHXWFBLJMQ-HNNXBMFYSA-N -1 1 287.359 3.338 20 0 CGADMM COc1cnc(C=Cc2ccccc2C2CC2)[n-]c1=O ZINC000905076144 622036918 /nfs/dbraw/zinc/03/69/18/622036918.db2.gz AYQPYNAULCXHIN-HJWRWDBZSA-N -1 1 268.316 3.239 20 0 CGADMM CC(C)(C)c1coc(CNC2CCC(CC(=O)[O-])CC2)n1 ZINC000905789866 622110214 /nfs/dbraw/zinc/11/02/14/622110214.db2.gz MZZIABHJXDDFPO-UHFFFAOYSA-N -1 1 294.395 3.095 20 0 CGADMM CCC[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)C(C)(C)C ZINC000908686448 622365596 /nfs/dbraw/zinc/36/55/96/622365596.db2.gz ALPVBHCBZKWAGN-GFCCVEGCSA-N -1 1 291.395 3.004 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1scnc1C(C)C ZINC000909236076 622409339 /nfs/dbraw/zinc/40/93/39/622409339.db2.gz PMZFUUXWIQUKCO-UHFFFAOYSA-N -1 1 292.360 3.233 20 0 CGADMM CC1(C)CC(C(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909987582 622443854 /nfs/dbraw/zinc/44/38/54/622443854.db2.gz ZJIRSMLEGMHXMI-UHFFFAOYSA-N -1 1 255.264 3.045 20 0 CGADMM CC1(C(=O)Nc2cc(F)cc(F)c2[O-])CCCC1 ZINC000910984718 622513192 /nfs/dbraw/zinc/51/31/92/622513192.db2.gz SXXMJZWSTRVISO-UHFFFAOYSA-N -1 1 255.264 3.189 20 0 CGADMM CC(=O)CCC(C)(C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910984553 622513207 /nfs/dbraw/zinc/51/32/07/622513207.db2.gz XPFJBWOLGHAAIA-UHFFFAOYSA-N -1 1 285.290 3.004 20 0 CGADMM C[C@H](CC(=O)Nc1cc(F)cc(F)c1[O-])C1CC1 ZINC000910982752 622513648 /nfs/dbraw/zinc/51/36/48/622513648.db2.gz BGWPMHFSVFSEQL-SSDOTTSWSA-N -1 1 255.264 3.045 20 0 CGADMM CCC1(C(=O)Nc2nc(Br)ccc2[O-])CCC1 ZINC000156368746 622815631 /nfs/dbraw/zinc/81/56/31/622815631.db2.gz JSLVPSFYTPBQSA-UHFFFAOYSA-N -1 1 299.168 3.069 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1coc2ccccc12 ZINC000188369114 622866096 /nfs/dbraw/zinc/86/60/96/622866096.db2.gz NZSPABQFDRCWGJ-UHFFFAOYSA-N -1 1 288.690 3.439 20 0 CGADMM Cc1ccc([C@H](C)NCc2cc(C(=O)[O-])co2)cc1 ZINC000228167023 623046027 /nfs/dbraw/zinc/04/60/27/623046027.db2.gz OGHLCXOZLVRMCT-NSHDSACASA-N -1 1 259.305 3.137 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)cc1C ZINC000180248352 624730460 /nfs/dbraw/zinc/73/04/60/624730460.db2.gz FZKUGULWVAJRES-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM C[C@H]1CSCCCN1C(=O)c1c([O-])cccc1Cl ZINC000889922218 624878354 /nfs/dbraw/zinc/87/83/54/624878354.db2.gz PCCNTIAANLNGRM-VIFPVBQESA-N -1 1 285.796 3.013 20 0 CGADMM O=C([O-])c1ccc(CN[C@H]2CCSc3ccccc32)o1 ZINC000071381319 625084566 /nfs/dbraw/zinc/08/45/66/625084566.db2.gz NYBAHBRYUKPELM-LBPRGKRZSA-N -1 1 289.356 3.305 20 0 CGADMM Cc1ccc(CN2CCC(CCC(=O)[O-])CC2)nc1Cl ZINC000873643374 634469640 /nfs/dbraw/zinc/46/96/40/634469640.db2.gz IQTGCYPMDRGPAM-UHFFFAOYSA-N -1 1 296.798 3.120 20 0 CGADMM Cc1cc(F)ccc1COC(=O)c1ccc([O-])cc1F ZINC000751568826 626396664 /nfs/dbraw/zinc/39/66/64/626396664.db2.gz OLCKWMDKESVLAK-UHFFFAOYSA-N -1 1 278.254 3.336 20 0 CGADMM Cc1ccc(C[N-]C(=O)C(F)(F)F)c(OC(C)(C)C)c1 ZINC000753651121 626461268 /nfs/dbraw/zinc/46/12/68/626461268.db2.gz YXBIDOYCARAWSZ-UHFFFAOYSA-N -1 1 289.297 3.351 20 0 CGADMM O=C([O-])c1ccccc1CNCc1cnc(C2CC2)s1 ZINC000874043773 634508492 /nfs/dbraw/zinc/50/84/92/634508492.db2.gz UCGFLHIVKDXZOW-UHFFFAOYSA-N -1 1 288.372 3.009 20 0 CGADMM CON(C(=O)c1cc2ccccc2cc1[O-])C1CCCC1 ZINC000757633065 626795860 /nfs/dbraw/zinc/79/58/60/626795860.db2.gz OVQLZPCXXWDBFE-UHFFFAOYSA-N -1 1 285.343 3.492 20 0 CGADMM CC(C)Cc1ccc([C@H](C)C(=O)[N-]OCC(F)F)cc1 ZINC000759333806 626888366 /nfs/dbraw/zinc/88/83/66/626888366.db2.gz FAZHZJSSNOYUKF-NSHDSACASA-N -1 1 285.334 3.302 20 0 CGADMM C[C@H](C(=O)[N-]OCC(F)(F)F)c1cccc(Cl)c1 ZINC000766764266 627358866 /nfs/dbraw/zinc/35/88/66/627358866.db2.gz XBTHTGZFJKMZKG-ZETCQYMHSA-N -1 1 281.661 3.054 20 0 CGADMM CCCCC[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000767299524 627397709 /nfs/dbraw/zinc/39/77/09/627397709.db2.gz JQYVZQGBWWYOJF-SNVBAGLBSA-N -1 1 253.317 3.230 20 0 CGADMM O=C(Nc1cccc(F)c1F)c1ccc([O-])c(F)c1 ZINC000767877476 627440851 /nfs/dbraw/zinc/44/08/51/627440851.db2.gz PNVKIBSQXSJHKU-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM CCCN(CCC)C(=O)c1c([O-])cccc1Cl ZINC000769589669 627567762 /nfs/dbraw/zinc/56/77/62/627567762.db2.gz ONBKOCUBQRPNQH-UHFFFAOYSA-N -1 1 255.745 3.308 20 0 CGADMM C[C@H](c1ccccn1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769729693 627574723 /nfs/dbraw/zinc/57/47/23/627574723.db2.gz ZCUQFPHYWOFJPE-SNVBAGLBSA-N -1 1 290.750 3.274 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cnn(C)c2C2CC2)c([O-])c1 ZINC000771496102 627714974 /nfs/dbraw/zinc/71/49/74/627714974.db2.gz YEEYYWBZRPWQNE-UHFFFAOYSA-N -1 1 299.374 3.379 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CC[C@@H](C)C2)c1 ZINC000776409833 628206888 /nfs/dbraw/zinc/20/68/88/628206888.db2.gz CDVPAKJASHLORY-IAQYHMDHSA-N -1 1 290.359 3.117 20 0 CGADMM O=C(OCC1CCC1)c1ccc(Br)c([O-])c1 ZINC000778827768 628374416 /nfs/dbraw/zinc/37/44/16/628374416.db2.gz CCDBBAWVQPEEGU-UHFFFAOYSA-N -1 1 285.137 3.112 20 0 CGADMM O=C1[N-]C(=O)C(=Cc2ccccc2OC2CCCC2)S1 ZINC000874926953 634652534 /nfs/dbraw/zinc/65/25/34/634652534.db2.gz CGTIGDMZLOFXLR-UKTHLTGXSA-N -1 1 289.356 3.332 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(C)(C)C(C)C)c1 ZINC000784332329 628806514 /nfs/dbraw/zinc/80/65/14/628806514.db2.gz IZFKKQVTDGVKDJ-UHFFFAOYSA-N -1 1 292.375 3.363 20 0 CGADMM Cc1nsc([N-]C(=O)c2c(C)occ2C(F)(F)F)n1 ZINC000875381150 634695414 /nfs/dbraw/zinc/69/54/14/634695414.db2.gz UQAVBLGOBSSPHH-UHFFFAOYSA-N -1 1 291.254 3.019 20 0 CGADMM Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1C ZINC000789930569 629174466 /nfs/dbraw/zinc/17/44/66/629174466.db2.gz YJNWASOBXIZEKW-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM Cc1ccc(CC(=O)Nc2nc(Cl)ccc2[O-])cc1C ZINC000790046814 629179620 /nfs/dbraw/zinc/17/96/20/629179620.db2.gz OAGFZJCZYBBUTN-UHFFFAOYSA-N -1 1 290.750 3.239 20 0 CGADMM CCC(C)(C)CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790051125 629180531 /nfs/dbraw/zinc/18/05/31/629180531.db2.gz LYBTWJJKVBPQKM-UHFFFAOYSA-N -1 1 256.733 3.205 20 0 CGADMM CCc1nc(C)c(C(=O)Nc2nc(Cl)ccc2[O-])s1 ZINC000790050461 629180742 /nfs/dbraw/zinc/18/07/42/629180742.db2.gz AMEBOFHZGBDXGS-UHFFFAOYSA-N -1 1 297.767 3.020 20 0 CGADMM CCc1ccc(CNCc2cccc(CCC(=O)[O-])c2)o1 ZINC000864517984 629850787 /nfs/dbraw/zinc/85/07/87/629850787.db2.gz RYYCTUZGSAZUPE-UHFFFAOYSA-N -1 1 287.359 3.149 20 0 CGADMM CC[C@H]1C[C@H](C)CN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876393500 634826860 /nfs/dbraw/zinc/82/68/60/634826860.db2.gz IIIZWTOPGPCHHE-JQWIXIFHSA-N -1 1 296.798 3.376 20 0 CGADMM O=C(C[C@@H]1C[C@H]1C1CC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000878218995 635421160 /nfs/dbraw/zinc/42/11/60/635421160.db2.gz FTMSDPICNCGFAF-JSGCOSHPSA-N -1 1 297.358 3.157 20 0 CGADMM CC(C)(C)C[C@@H]([N-]C(=O)C(C)(F)F)C(F)(F)F ZINC000815984231 631849741 /nfs/dbraw/zinc/84/97/41/631849741.db2.gz HGWASHPGISSROJ-ZCFIWIBFSA-N -1 1 261.234 3.125 20 0 CGADMM CCOC1(CNC(=O)c2c([O-])cccc2Cl)CCCC1 ZINC000818267307 632303341 /nfs/dbraw/zinc/30/33/41/632303341.db2.gz YSRKFHWPMQMARX-UHFFFAOYSA-N -1 1 297.782 3.125 20 0 CGADMM COc1cnc(C=Cc2cccc(Cl)c2)[n-]c1=O ZINC000821009305 632711053 /nfs/dbraw/zinc/71/10/53/632711053.db2.gz ZEBAILFHSQNHRN-AATRIKPKSA-N -1 1 262.696 3.015 20 0 CGADMM COc1cnc(C=Cc2ccc(Cl)c(F)c2)[n-]c1=O ZINC000821007378 632711449 /nfs/dbraw/zinc/71/14/49/632711449.db2.gz HRYFNQQAUOUGHA-HWKANZROSA-N -1 1 280.686 3.154 20 0 CGADMM CC(C)(C)c1nc(C(=O)Nc2c([O-])cccc2F)co1 ZINC000821344559 632756129 /nfs/dbraw/zinc/75/61/29/632756129.db2.gz WCKLMDRLOXXERN-UHFFFAOYSA-N -1 1 278.283 3.069 20 0 CGADMM O=C(C[C@@H]1CC=CCC1)Nc1ccc([O-])c(F)c1F ZINC000821981176 632851886 /nfs/dbraw/zinc/85/18/86/632851886.db2.gz XQMHVXAALBHAIJ-SECBINFHSA-N -1 1 267.275 3.355 20 0 CGADMM CCCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000866468371 633145951 /nfs/dbraw/zinc/14/59/51/633145951.db2.gz FTNYTYKUGIHLOZ-VIFPVBQESA-N -1 1 295.351 3.464 20 0 CGADMM CN(OCc1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000121224564 633240916 /nfs/dbraw/zinc/24/09/16/633240916.db2.gz BDIHWUJZGZSBSA-UHFFFAOYSA-N -1 1 291.734 3.249 20 0 CGADMM CCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1F ZINC000871941572 633921294 /nfs/dbraw/zinc/92/12/94/633921294.db2.gz ZUNGDYXLYROKJC-SNVBAGLBSA-N -1 1 275.110 3.444 20 0 CGADMM CCc1[n-]n(Cc2cccc(C(F)(F)F)c2)c(=O)c1F ZINC000871945412 633922398 /nfs/dbraw/zinc/92/23/98/633922398.db2.gz PDKQZKFMDVGNMZ-LLVKDONJSA-N -1 1 288.244 3.152 20 0 CGADMM CCc1c(=O)n([C@H]2CCOC3(CCCC3)C2)[n-]c1C(C)C ZINC000871964721 633932089 /nfs/dbraw/zinc/93/20/89/633932089.db2.gz XXBCBEGNDLGACG-KBPBESRZSA-N -1 1 292.423 3.359 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000834822006 634248149 /nfs/dbraw/zinc/24/81/49/634248149.db2.gz IZMCBGRAMPKWOJ-KGYLQXTDSA-N 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AITDVRRRHBEJNV-UKRRQHHQSA-N -1 1 289.350 3.182 20 0 CGADMM O=C(CCCC(=O)C1CC1)Nc1cc(F)c([O-])cc1Cl ZINC000885678125 637283845 /nfs/dbraw/zinc/28/38/45/637283845.db2.gz JZRARQHWEDQBJH-UHFFFAOYSA-N -1 1 299.729 3.273 20 0 CGADMM CC/C=C(\C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674749 637284565 /nfs/dbraw/zinc/28/45/65/637284565.db2.gz UDMJDUKBDDPPSQ-QPJJXVBHSA-N -1 1 257.692 3.480 20 0 CGADMM O=c1c2c([n-]n1[C@H]1CCCSC1)CCCCCC2 ZINC000887299291 637793797 /nfs/dbraw/zinc/79/37/97/637793797.db2.gz VRTLJUPKSCANOA-RYUDHWBXSA-N -1 1 266.410 3.051 20 0 CGADMM CC[C@@H](C)N(CC)C(=O)c1c([O-])cccc1Cl ZINC000855146423 638148497 /nfs/dbraw/zinc/14/84/97/638148497.db2.gz WSOPGHMWFORZBU-SECBINFHSA-N -1 1 255.745 3.306 20 0 CGADMM O=C(NCCC1CC=CC1)NCc1ccc([O-])c(Cl)c1 ZINC000923983270 638287589 /nfs/dbraw/zinc/28/75/89/638287589.db2.gz YPDIWHJWNAZWAE-UHFFFAOYSA-N -1 1 294.782 3.201 20 0 CGADMM CCCO[N-]C(=O)[C@@H](C)c1cccc(CC(C)C)c1 ZINC000857546778 638516475 /nfs/dbraw/zinc/51/64/75/638516475.db2.gz 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803984458 /nfs/dbraw/zinc/98/44/58/803984458.db2.gz HDCMJABJXIERDE-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM Cc1cc(-c2c(F)ccc([O-])c2Cl)cnc1N ZINC001245831286 803986064 /nfs/dbraw/zinc/98/60/64/803986064.db2.gz CEQWREMCLKFENZ-UHFFFAOYSA-N -1 1 252.676 3.137 20 0 CGADMM O=C1Cc2ccc(-c3c(F)ccc([O-])c3Cl)cc2CN1 ZINC001245831585 803987296 /nfs/dbraw/zinc/98/72/96/803987296.db2.gz NZDYOJXBIKWHLB-UHFFFAOYSA-N -1 1 291.709 3.024 20 0 CGADMM C=Cc1ncc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245833812 803988608 /nfs/dbraw/zinc/98/86/08/803988608.db2.gz CTNHLWWCQFWYHW-UHFFFAOYSA-N -1 1 250.660 3.285 20 0 CGADMM Cc1cccc(-c2cc(=O)n(-c3cccc(C(=O)[O-])c3)[nH]2)c1 ZINC001245919578 804046876 /nfs/dbraw/zinc/04/68/76/804046876.db2.gz IYIKRVYCRJFBLG-UHFFFAOYSA-N -1 1 294.310 3.252 20 0 CGADMM Cc1ccc(C(=S)n2[n-]c(CC(C)C)cc2=O)cc1 ZINC001245931683 804060756 /nfs/dbraw/zinc/06/07/56/804060756.db2.gz BQBNBXDTKJUNQE-UHFFFAOYSA-N -1 1 274.389 3.319 20 0 CGADMM O=C([O-])c1ccccc1-n1[nH]c(C2CCCCC2)cc1=O ZINC001245937436 804066389 /nfs/dbraw/zinc/06/63/89/804066389.db2.gz WUMUXNYKLOJIPD-UHFFFAOYSA-N -1 1 286.331 3.324 20 0 CGADMM Cc1cscc1CNC(=O)c1ncc2ccccc2c1[O-] ZINC001139760170 804278734 /nfs/dbraw/zinc/27/87/34/804278734.db2.gz XBWXNJFZQSPKHC-UHFFFAOYSA-N -1 1 298.367 3.240 20 0 CGADMM Nc1cc(Nc2cc([O-])c(F)c(F)c2)ccc1F ZINC001212342370 815008454 /nfs/dbraw/zinc/00/84/54/815008454.db2.gz XPCGQSLQIYYBLA-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM Oc1cccc(C[N@@H+]2CCCC23CC3)c1Br ZINC001140547929 804458425 /nfs/dbraw/zinc/45/84/25/804458425.db2.gz VOZZPPXHGGAWKL-UHFFFAOYSA-N -1 1 282.181 3.283 20 0 CGADMM Cc1cc(C(=O)Nc2ccc([O-])c(F)c2F)c(C)o1 ZINC001140653106 804484496 /nfs/dbraw/zinc/48/44/96/804484496.db2.gz VUEMVIGHFXUPQI-UHFFFAOYSA-N -1 1 267.231 3.133 20 0 CGADMM [O-]c1ccc(CN2CC3(C2)CCCC3)c(F)c1F ZINC001140888871 804542147 /nfs/dbraw/zinc/54/21/47/804542147.db2.gz ZLAOXYPOUDAITC-UHFFFAOYSA-N -1 1 253.292 3.046 20 0 CGADMM CC(=O)c1cc(-c2nc(-c3ccc4occc4c3)no2)n[n-]1 ZINC001212430088 815027408 /nfs/dbraw/zinc/02/74/08/815027408.db2.gz ZKGIGTILJJSLBA-UHFFFAOYSA-N -1 1 294.270 3.076 20 0 CGADMM CC(=O)c1cc(-c2nc(-c3ccc4occc4c3)no2)[n-]n1 ZINC001212430088 815027415 /nfs/dbraw/zinc/02/74/15/815027415.db2.gz ZKGIGTILJJSLBA-UHFFFAOYSA-N -1 1 294.270 3.076 20 0 CGADMM COC[C@H]1CCC[N@@H+]1Cc1c(Cl)cc(O)cc1Cl ZINC001142105797 804695138 /nfs/dbraw/zinc/69/51/38/804695138.db2.gz NULYQHVRIXZKIU-SECBINFHSA-N -1 1 290.190 3.310 20 0 CGADMM CC[C@H]1CCC[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142541582 804734889 /nfs/dbraw/zinc/73/48/89/804734889.db2.gz CGIXSHPREDTZBP-WCBMZHEXSA-N -1 1 269.291 3.435 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@H](CF)C(F)(F)C2)c(F)c1 ZINC001144541161 805001454 /nfs/dbraw/zinc/00/14/54/805001454.db2.gz CPLKLHMYEFIRDG-MRVPVSSYSA-N -1 1 295.251 3.097 20 0 CGADMM C[C@@H]1CN(Cc2c(F)cc([O-])cc2F)CCC1(F)F ZINC001144541099 805002452 /nfs/dbraw/zinc/00/24/52/805002452.db2.gz ALYGANHOZCQYEM-MRVPVSSYSA-N -1 1 277.261 3.148 20 0 CGADMM C[C@]1(CF)CC(F)(F)CN1Cc1cc(F)c([O-])cc1F ZINC001144648435 805022480 /nfs/dbraw/zinc/02/24/80/805022480.db2.gz SMSAQTJFEZFWKX-GFCCVEGCSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@@H]2c2ccncc2)cc1F ZINC001144665646 805027960 /nfs/dbraw/zinc/02/79/60/805027960.db2.gz CHCVMXJDRWZRGJ-OAHLLOKOSA-N -1 1 290.313 3.403 20 0 CGADMM [O-]c1cc(F)c(CN(Cc2ccco2)C2CC2)cc1F ZINC001144660002 805029024 /nfs/dbraw/zinc/02/90/24/805029024.db2.gz UAWXEOLPDGENFN-UHFFFAOYSA-N -1 1 279.286 3.428 20 0 CGADMM COc1cccc(CN(C)Cc2cc(F)c([O-])cc2F)c1 ZINC001144667090 805030318 /nfs/dbraw/zinc/03/03/18/805030318.db2.gz RPZKKSIBRJZFTI-UHFFFAOYSA-N -1 1 293.313 3.311 20 0 CGADMM CC1(C)C[C@@H]1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001145043006 805063060 /nfs/dbraw/zinc/06/30/60/805063060.db2.gz RIRMFFDPWZIAAX-LLVKDONJSA-N -1 1 285.343 3.027 20 0 CGADMM Cc1ccccc1OCCC(=O)Nc1c([O-])cccc1F ZINC001146493096 805069239 /nfs/dbraw/zinc/06/92/39/805069239.db2.gz YBJNBQATSCCBOX-UHFFFAOYSA-N -1 1 289.306 3.247 20 0 CGADMM CC1(C)CCCC[C@@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001146551823 805073868 /nfs/dbraw/zinc/07/38/68/805073868.db2.gz QFWISECEVBMFNN-CYBMUJFWSA-N -1 1 265.328 3.452 20 0 CGADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cccc([O-])c1F ZINC001146669621 805078934 /nfs/dbraw/zinc/07/89/34/805078934.db2.gz WSDZGHBNDOSEGE-IJLUTSLNSA-N -1 1 277.339 3.230 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ncc3ccccc3c2[O-])[C@@H](C)C1 ZINC001146811847 805092266 /nfs/dbraw/zinc/09/22/66/805092266.db2.gz BFDVOFCUKLINAR-TYNCELHUSA-N -1 1 298.386 3.495 20 0 CGADMM CCc1cnc(NC(=O)c2cc(SC)ccc2[O-])s1 ZINC001147566501 805138514 /nfs/dbraw/zinc/13/85/14/805138514.db2.gz OZBUCZINBHESPX-UHFFFAOYSA-N -1 1 294.401 3.385 20 0 CGADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1CCCC1 ZINC001148861469 805213574 /nfs/dbraw/zinc/21/35/74/805213574.db2.gz RESBROHVLDEEQL-UHFFFAOYSA-N -1 1 267.328 3.295 20 0 CGADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)cs1 ZINC001149513383 805236031 /nfs/dbraw/zinc/23/60/31/805236031.db2.gz NSMOFMRJLZOGJT-UHFFFAOYSA-N -1 1 269.272 3.293 20 0 CGADMM Cc1cncc(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249957684 805324708 /nfs/dbraw/zinc/32/47/08/805324708.db2.gz FCSFACIVTDNTGV-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM CN(C)c1cccnc1Nc1cc([O-])c(F)c(F)c1F ZINC001249961879 805328915 /nfs/dbraw/zinc/32/89/15/805328915.db2.gz XTMWUTHLZIYEIA-UHFFFAOYSA-N -1 1 283.253 3.014 20 0 CGADMM [O-]c1cc(Nc2ccc3nccnc3c2)c(F)c(F)c1F ZINC001249963488 805330524 /nfs/dbraw/zinc/33/05/24/805330524.db2.gz YIQSRTJAZMWYDS-UHFFFAOYSA-N -1 1 291.232 3.496 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1c(O)cccc1F ZINC001249990562 805349891 /nfs/dbraw/zinc/34/98/91/805349891.db2.gz LEZNLFYBGXRDIN-UHFFFAOYSA-N -1 1 287.246 3.087 20 0 CGADMM NC(=O)c1ccsc1Nc1cc(Cl)c([O-])cc1F ZINC001250020614 805372190 /nfs/dbraw/zinc/37/21/90/805372190.db2.gz NVBHRCNBRBRJBO-UHFFFAOYSA-N -1 1 286.715 3.089 20 0 CGADMM [O-]c1cc(F)c(Nc2ccc(F)nc2)cc1Cl ZINC001250020861 805372731 /nfs/dbraw/zinc/37/27/31/805372731.db2.gz UHCYCSKHUWJBSE-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM NC(=O)c1cccc(F)c1Nc1cc(Cl)c([O-])cc1F ZINC001250026577 805376888 /nfs/dbraw/zinc/37/68/88/805376888.db2.gz QOABHSMUCSQIIA-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM NC(=O)c1cc(F)cc(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250026895 805377814 /nfs/dbraw/zinc/37/78/14/805377814.db2.gz QYFOYYGCLTXIGN-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM O=C(NC1(C(F)(F)F)CC1)c1c([O-])ccc2ccccc21 ZINC001153509478 805399900 /nfs/dbraw/zinc/39/99/00/805399900.db2.gz DEWQTTKGTGTEGE-UHFFFAOYSA-N -1 1 295.260 3.370 20 0 CGADMM CC(C)(C)n1cc(Nc2ccnc(Cl)c2[O-])cn1 ZINC001212569416 815072420 /nfs/dbraw/zinc/07/24/20/815072420.db2.gz CHDCOAVSYBMPRM-UHFFFAOYSA-N -1 1 266.732 3.136 20 0 CGADMM Cc1ncc(NC(=O)c2c([O-])ccc3ccccc32)nc1C ZINC001153499390 805400511 /nfs/dbraw/zinc/40/05/11/805400511.db2.gz UZEZQDXUVCPPRJ-UHFFFAOYSA-N -1 1 293.326 3.205 20 0 CGADMM Nc1ccc2[nH]c(=S)n(-c3ccc(Cl)c([O-])c3)c2c1 ZINC001212593805 815081154 /nfs/dbraw/zinc/08/11/54/815081154.db2.gz KTGXWJSVINZXDO-UHFFFAOYSA-N -1 1 291.763 3.255 20 0 CGADMM COc1ccc(Nc2ccnc(Cl)c2[O-])c(Cl)n1 ZINC001250287448 805543598 /nfs/dbraw/zinc/54/35/98/805543598.db2.gz FVKSRDWGSDXHKB-UHFFFAOYSA-N -1 1 286.118 3.241 20 0 CGADMM COc1ccc(Nc2c([O-])cc(F)cc2F)c(Cl)n1 ZINC001250289218 805544640 /nfs/dbraw/zinc/54/46/40/805544640.db2.gz CXBWHCFWIJLZPC-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM O=C(Cc1c(F)cc([O-])cc1F)c1cccs1 ZINC001250305984 805557155 /nfs/dbraw/zinc/55/71/55/805557155.db2.gz WGSGEWGIAPWOJX-UHFFFAOYSA-N -1 1 254.257 3.157 20 0 CGADMM CCOC(=O)c1ccc(Cc2c(F)cc([O-])cc2F)cc1 ZINC001250323877 805567827 /nfs/dbraw/zinc/56/78/27/805567827.db2.gz RYOVXRSAESAUBN-UHFFFAOYSA-N -1 1 292.281 3.438 20 0 CGADMM CCC[C@@H](C)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001257314464 807101832 /nfs/dbraw/zinc/10/18/32/807101832.db2.gz MQLSIRYHQFSHAN-LLVKDONJSA-N -1 1 259.353 3.487 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2ccc(Cl)cc2F)no1 ZINC001212721405 815113759 /nfs/dbraw/zinc/11/37/59/815113759.db2.gz OPQVTRIYXAQJBD-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2cccc3cccnc32)no1 ZINC001212722529 815114939 /nfs/dbraw/zinc/11/49/39/815114939.db2.gz MGPPZQOSHYOSIU-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM COc1c(Cl)cccc1[N-]S(=O)(=O)C1CCCC1 ZINC001259792642 807684232 /nfs/dbraw/zinc/68/42/32/807684232.db2.gz ICASNHMVMCNXJM-UHFFFAOYSA-N -1 1 289.784 3.033 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1cccc(-c2ccccc2)n1 ZINC001260726372 807700005 /nfs/dbraw/zinc/70/00/05/807700005.db2.gz PXKFTQUSZGRBEM-GFCCVEGCSA-N -1 1 290.388 3.289 20 0 CGADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C)c(C)n1 ZINC001260991589 807708877 /nfs/dbraw/zinc/70/88/77/807708877.db2.gz NABVNUWUOORSAH-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM CN1CCOc2cc(Nc3ccnc(Cl)c3[O-])ccc21 ZINC001213042866 815210091 /nfs/dbraw/zinc/21/00/91/815210091.db2.gz ZEPWSCCJSWDBDI-UHFFFAOYSA-N -1 1 291.738 3.013 20 0 CGADMM CCSC[C@@H](C)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001173301969 808600966 /nfs/dbraw/zinc/60/09/66/808600966.db2.gz NARLJHIWHUXOMG-LLVKDONJSA-N -1 1 291.420 3.440 20 0 CGADMM COc1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001173827976 808694131 /nfs/dbraw/zinc/69/41/31/808694131.db2.gz CKJPYZDXAXZWAJ-UHFFFAOYSA-N -1 1 251.232 3.423 20 0 CGADMM COc1cc(O)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213097586 815232888 /nfs/dbraw/zinc/23/28/88/815232888.db2.gz QHRZXKFMYFWBRU-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc2n[nH]cc2c1 ZINC001174272549 808918985 /nfs/dbraw/zinc/91/89/85/808918985.db2.gz CZTRORQNGJOTCN-UHFFFAOYSA-N -1 1 260.684 3.061 20 0 CGADMM Cn1cc(Nc2cc(Cl)cc(Cl)c2[O-])ccc1=O ZINC001174356576 808973309 /nfs/dbraw/zinc/97/33/09/808973309.db2.gz DANFEAJQLOROPX-UHFFFAOYSA-N -1 1 285.130 3.141 20 0 CGADMM CCn1cc(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001174568762 809087291 /nfs/dbraw/zinc/08/72/91/809087291.db2.gz BVKGHNPMPMHUPI-UHFFFAOYSA-N -1 1 255.680 3.145 20 0 CGADMM CCO[C@@H](C)n1cc([N-]c2nc(C(C)(C)C)ns2)cn1 ZINC001174691086 809131835 /nfs/dbraw/zinc/13/18/35/809131835.db2.gz LXQPSRYNTXOZKL-VIFPVBQESA-N -1 1 295.412 3.331 20 0 CGADMM Cc1cccc2ncc(Nc3ccc(CC(=O)[O-])cc3)n21 ZINC001174950971 809212490 /nfs/dbraw/zinc/21/24/90/809212490.db2.gz WRTCRVOOXYPTRO-UHFFFAOYSA-N -1 1 281.315 3.013 20 0 CGADMM Nc1cccc(C(=S)Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213384587 815273959 /nfs/dbraw/zinc/27/39/59/815273959.db2.gz VMFJTDYWCIJLLC-UHFFFAOYSA-N -1 1 280.299 3.040 20 0 CGADMM [O-]c1cc(Nc2c(F)cc(O)cc2F)cc(F)c1F ZINC001175097048 809269848 /nfs/dbraw/zinc/26/98/48/809269848.db2.gz MGZJAYWHJNUKRJ-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM CCOc1cccc(Nc2cc(=O)[n-]c(SC)n2)c1F ZINC001175240662 809321518 /nfs/dbraw/zinc/32/15/18/809321518.db2.gz STGRDYJLGSPJBP-UHFFFAOYSA-N -1 1 295.339 3.186 20 0 CGADMM [O-]c1cc(Nc2ccc(N3CCCC3)nc2)cc(F)c1F ZINC001175352177 809373999 /nfs/dbraw/zinc/37/39/99/809373999.db2.gz SACNHDJBINUJDR-UHFFFAOYSA-N -1 1 291.301 3.409 20 0 CGADMM COc1ncc([N-]c2cc(-c3ccccc3O)no2)s1 ZINC001175390219 809387182 /nfs/dbraw/zinc/38/71/82/809387182.db2.gz KCEGBTNUZZSFRL-UHFFFAOYSA-N -1 1 289.316 3.256 20 0 CGADMM Cc1ccc(CN(C(=O)c2ccc(F)c([O-])c2)C2CC2)o1 ZINC001291638402 809422075 /nfs/dbraw/zinc/42/20/75/809422075.db2.gz DYRBEHWKLUCCKC-UHFFFAOYSA-N -1 1 289.306 3.238 20 0 CGADMM C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccccc1 ZINC001293143811 809443984 /nfs/dbraw/zinc/44/39/84/809443984.db2.gz MPIRTMQRHIYYKE-GFCCVEGCSA-N -1 1 292.338 3.431 20 0 CGADMM Cc1ccc2[nH]ncc2c1Nc1ccc(C(=O)[O-])cc1 ZINC001175526865 809445663 /nfs/dbraw/zinc/44/56/63/809445663.db2.gz YEHGBYYZZCYGAI-UHFFFAOYSA-N -1 1 267.288 3.313 20 0 CGADMM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc([O-])cn2)cc1 ZINC001293704240 809452714 /nfs/dbraw/zinc/45/27/14/809452714.db2.gz TXQXNHJRANMBFA-QGZVFWFLSA-N -1 1 296.370 3.463 20 0 CGADMM Cn1cc2c(cccc2Nc2cc([O-])c(F)c(F)c2)n1 ZINC001175592556 809467108 /nfs/dbraw/zinc/46/71/08/809467108.db2.gz WFFWYFKRXHUJOE-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM CCCC1(CNC(=O)c2cccc([O-])c2F)CCC1 ZINC001294990672 809478216 /nfs/dbraw/zinc/47/82/16/809478216.db2.gz BUSWNURZJZKTII-UHFFFAOYSA-N -1 1 265.328 3.232 20 0 CGADMM CC(C)n1ccnc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001295294726 809484284 /nfs/dbraw/zinc/48/42/84/809484284.db2.gz FEPKUPSUXXITPK-UHFFFAOYSA-N -1 1 279.727 3.075 20 0 CGADMM CCNc1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)s1 ZINC001295292278 809484609 /nfs/dbraw/zinc/48/46/09/809484609.db2.gz OFDCYRFAPRKIKM-UHFFFAOYSA-N -1 1 297.767 3.186 20 0 CGADMM CSc1ccc([N-]c2nnc(C(C)(C)C)o2)cn1 ZINC001175651931 809490055 /nfs/dbraw/zinc/49/00/55/809490055.db2.gz VJVWCMHCOWYHQA-UHFFFAOYSA-N -1 1 264.354 3.228 20 0 CGADMM CCC(=O)c1ccc(NC(=O)c2cccc([O-])c2F)cc1 ZINC001300816913 809574862 /nfs/dbraw/zinc/57/48/62/809574862.db2.gz UXPRNLROPIASQK-UHFFFAOYSA-N -1 1 287.290 3.376 20 0 CGADMM Cc1ccc(C[C@H](C)C(=O)[N-]Oc2ccccc2F)cc1 ZINC001303333249 809608062 /nfs/dbraw/zinc/60/80/62/809608062.db2.gz YJLZVHKRRTUSKQ-ZDUSSCGKSA-N -1 1 287.334 3.423 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCn2cccc2C1 ZINC001303407683 809610320 /nfs/dbraw/zinc/61/03/20/809610320.db2.gz MTUQLWQZCJEJIR-UHFFFAOYSA-N -1 1 292.338 3.003 20 0 CGADMM O=C([O-])/C=C/c1ccc(Nc2ccc3nccn3c2)cc1 ZINC001176591559 809725861 /nfs/dbraw/zinc/72/58/61/809725861.db2.gz LMZKYCFKHCTFQC-FPYGCLRLSA-N -1 1 279.299 3.176 20 0 CGADMM Cc1cccc2ncc(Nc3ccc(/C=C/C(=O)[O-])cc3)n21 ZINC001176593774 809726628 /nfs/dbraw/zinc/72/66/28/809726628.db2.gz IIUZIUNWFXSVFY-JXMROGBWSA-N -1 1 293.326 3.484 20 0 CGADMM Cc1ccc(Nc2c(F)cc(F)c([O-])c2F)nc1 ZINC001176662207 809737515 /nfs/dbraw/zinc/73/75/15/809737515.db2.gz JYAMOVSARGDDJQ-UHFFFAOYSA-N -1 1 254.211 3.257 20 0 CGADMM Cc1ncc(Nc2c(F)cc(F)c([O-])c2F)c(Cl)n1 ZINC001176664872 809738089 /nfs/dbraw/zinc/73/80/89/809738089.db2.gz WPSWYGWJGNEDSI-UHFFFAOYSA-N -1 1 289.644 3.305 20 0 CGADMM Cc1cc2cc(N)cnc2n1-c1c(F)cc(F)c([O-])c1F ZINC001176663594 809738845 /nfs/dbraw/zinc/73/88/45/809738845.db2.gz GFZUGPGHEQODFA-UHFFFAOYSA-N -1 1 293.248 3.039 20 0 CGADMM Nc1ccc2ccn(-c3c(F)cc(F)c([O-])c3F)c2c1 ZINC001176671774 809739619 /nfs/dbraw/zinc/73/96/19/809739619.db2.gz ONEAQUTYFSBXRX-UHFFFAOYSA-N -1 1 278.233 3.336 20 0 CGADMM Nc1cc(F)cc(F)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176671377 809739631 /nfs/dbraw/zinc/73/96/31/809739631.db2.gz BPDJUHWWLFJQBI-UHFFFAOYSA-N -1 1 290.191 3.414 20 0 CGADMM O=C(/C=C/c1ccc[nH]1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001177939337 809833526 /nfs/dbraw/zinc/83/35/26/809833526.db2.gz KBEJELYHYMCYMK-VOTSOKGWSA-N -1 1 296.248 3.391 20 0 CGADMM Cc1cccc(-c2noc(-c3cc([O-])cnc3Cl)n2)c1 ZINC001213697629 815323189 /nfs/dbraw/zinc/32/31/89/815323189.db2.gz BBPKPZRQTJDXFF-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM O=C(CC(F)F)Nc1cccc(C(F)(F)F)c1[O-] ZINC001182966803 810133225 /nfs/dbraw/zinc/13/32/25/810133225.db2.gz UUSVKFBDDUZDFH-UHFFFAOYSA-N -1 1 269.169 3.005 20 0 CGADMM C[C@@H](NC(=O)Nc1ccc(F)cc1[O-])c1ccccc1 ZINC001185012650 810228977 /nfs/dbraw/zinc/22/89/77/810228977.db2.gz CNFKFDZSCAATEZ-SNVBAGLBSA-N -1 1 274.295 3.414 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1)Nc1cc(Cl)ncc1[O-] ZINC001185063208 810232300 /nfs/dbraw/zinc/23/23/00/810232300.db2.gz NOACOBJUYICCPT-UHFFFAOYSA-N -1 1 299.664 3.363 20 0 CGADMM O=C(NCc1ccc(F)cc1)Nc1cc(F)c(F)cc1[O-] ZINC001185474022 810267736 /nfs/dbraw/zinc/26/77/36/810267736.db2.gz IVVYWUGUQNTZAC-UHFFFAOYSA-N -1 1 296.248 3.131 20 0 CGADMM Cc1cnc(Cl)c(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC001186202022 810319785 /nfs/dbraw/zinc/31/97/85/810319785.db2.gz HIOYASVVBMNIDW-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM CC(C)(C)Cc1cc(NC(=O)c2ccc([O-])c(F)c2)on1 ZINC001186202043 810320459 /nfs/dbraw/zinc/32/04/59/810320459.db2.gz HOUHSHKDADXIQT-UHFFFAOYSA-N -1 1 292.310 3.360 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCCC2(CC(F)C2)CC1 ZINC001186218726 810321736 /nfs/dbraw/zinc/32/17/36/810321736.db2.gz JNFBYDRBIVZKOF-UHFFFAOYSA-N -1 1 295.329 3.276 20 0 CGADMM O=C(Nc1nccs1)Nc1ccc(Cl)cc1[O-] ZINC001189377002 810565724 /nfs/dbraw/zinc/56/57/24/810565724.db2.gz UQCYSEJOSXNMOE-UHFFFAOYSA-N -1 1 269.713 3.146 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)Nc2cc(F)c(F)cc2[O-])CC1 ZINC001191824046 810747537 /nfs/dbraw/zinc/74/75/37/810747537.db2.gz GCZKVFXSHKTUEC-KYZUINATSA-N -1 1 284.306 3.371 20 0 CGADMM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001192449416 810798412 /nfs/dbraw/zinc/79/84/12/810798412.db2.gz IVBRXTQGWQXCEI-VIFPVBQESA-N -1 1 291.363 3.068 20 0 CGADMM CC(C)c1cccnc1NC(=O)c1cc([O-])cc(F)c1F ZINC001192660800 810815408 /nfs/dbraw/zinc/81/54/08/810815408.db2.gz CUMQWAMQIMQWMF-UHFFFAOYSA-N -1 1 292.285 3.441 20 0 CGADMM Cc1ccc(O)cc1Nc1cc(F)c([O-])cc1F ZINC001214352760 815400315 /nfs/dbraw/zinc/40/03/15/815400315.db2.gz WKQWPPBKBNMGQV-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM CCCOC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001194130534 811018606 /nfs/dbraw/zinc/01/86/06/811018606.db2.gz IMYWWYRAXARPBZ-UHFFFAOYSA-N -1 1 263.215 3.370 20 0 CGADMM CCc1nnc(Nc2cc(F)c([O-])c(Cl)c2)s1 ZINC001214480644 815415220 /nfs/dbraw/zinc/41/52/20/815415220.db2.gz WNVGOLCDFRDYKB-UHFFFAOYSA-N -1 1 273.720 3.342 20 0 CGADMM NC(=O)c1c(F)cccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214488342 815416170 /nfs/dbraw/zinc/41/61/70/815416170.db2.gz CTAQCLIYIAUEIA-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM Cc1c[nH]c(=O)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214483037 815416789 /nfs/dbraw/zinc/41/67/89/815416789.db2.gz ZICIYIHNLMPNFQ-UHFFFAOYSA-N -1 1 268.675 3.337 20 0 CGADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccnc(Cl)c1 ZINC001194606227 811092473 /nfs/dbraw/zinc/09/24/73/811092473.db2.gz YMQMEXKYOQWDFP-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM CC(C)CCOC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001194853414 811156263 /nfs/dbraw/zinc/15/62/63/811156263.db2.gz YSGIRFROIXECPV-UHFFFAOYSA-N -1 1 289.335 3.173 20 0 CGADMM Cc1ccc2nc(NC(=O)c3nc(C)ccc3[O-])sc2c1 ZINC001195319865 811240587 /nfs/dbraw/zinc/24/05/87/811240587.db2.gz UWOYNPYNGJCNQG-UHFFFAOYSA-N -1 1 299.355 3.266 20 0 CGADMM O=C(Nc1cccc2cc[nH]c21)c1cc([O-])cnc1Cl ZINC001195306532 811241471 /nfs/dbraw/zinc/24/14/71/811241471.db2.gz SQACCMLYPYLFOP-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM COc1ccc(C)c(F)c1[N-]c1nc(C)ns1 ZINC001214622540 815434666 /nfs/dbraw/zinc/43/46/66/815434666.db2.gz SZNVLUHAWLAYNZ-UHFFFAOYSA-N -1 1 253.302 3.046 20 0 CGADMM [O-]c1cc(Cl)cnc1NC(=S)NC1CCCCCC1 ZINC001199961628 811617709 /nfs/dbraw/zinc/61/77/09/811617709.db2.gz DYXBKKQYNXAECO-UHFFFAOYSA-N -1 1 299.827 3.450 20 0 CGADMM CCCCCNC(=S)Nc1cc([O-])c(F)cc1F ZINC001200055039 811631182 /nfs/dbraw/zinc/63/11/82/811631182.db2.gz RDDBCVQTLCWHJJ-UHFFFAOYSA-N -1 1 274.336 3.147 20 0 CGADMM CC[C@H](C)CNC(=S)Nc1cc(F)c([O-])cc1F ZINC001200262953 811658503 /nfs/dbraw/zinc/65/85/03/811658503.db2.gz KRUAFTBRJZQUKH-ZETCQYMHSA-N -1 1 274.336 3.003 20 0 CGADMM O=C(Nc1cccc(F)c1)Nc1cc([O-])c(F)cc1F ZINC001202229725 812045892 /nfs/dbraw/zinc/04/58/92/812045892.db2.gz ZQGLPRDGAFNVDN-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM O=C1Cc2ccc(Nc3cc(F)c([O-])cc3F)cc2C1 ZINC001215577116 815539462 /nfs/dbraw/zinc/53/94/62/815539462.db2.gz UXPYMOQVFQVRJJ-UHFFFAOYSA-N -1 1 275.254 3.082 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc4cnccc4c3)no2)nn1 ZINC001205299001 812938935 /nfs/dbraw/zinc/93/89/35/812938935.db2.gz IDVKOOBFILWLJS-UHFFFAOYSA-N -1 1 291.270 3.008 20 0 CGADMM Cc1nonc1[N-]c1ccc(F)c(OC(C)C)c1F ZINC001215727486 815566791 /nfs/dbraw/zinc/56/67/91/815566791.db2.gz UPEVDVKZRASWTF-UHFFFAOYSA-N -1 1 269.251 3.187 20 0 CGADMM COc1cccc([N-]c2nnc(-c3ccco3)o2)c1C ZINC001215796916 815595515 /nfs/dbraw/zinc/59/55/15/815595515.db2.gz IKNOKYSAYKGHFX-UHFFFAOYSA-N -1 1 271.276 3.390 20 0 CGADMM CC1(C)CN(Cc2ccc([O-])c(F)c2F)[C@H]1C1CC1 ZINC001206117197 813205155 /nfs/dbraw/zinc/20/51/55/813205155.db2.gz YYOUXQMDQCEUFS-AWEZNQCLSA-N -1 1 267.319 3.291 20 0 CGADMM [O-]c1cc(Nc2ncccc2F)c(F)cc1Cl ZINC001209810111 814151474 /nfs/dbraw/zinc/15/14/74/814151474.db2.gz ZTVTVKRMCFODSS-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM [O-]c1cc(F)cc(F)c1Nc1ccc(CO)c(F)c1 ZINC001210485209 814483314 /nfs/dbraw/zinc/48/33/14/814483314.db2.gz VGBIFNBVAYMEJI-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM COc1cccc(-c2cc([N-]c3cnoc3C)on2)c1 ZINC001210578983 814539343 /nfs/dbraw/zinc/53/93/43/814539343.db2.gz MEFCICCPIZFVLR-UHFFFAOYSA-N -1 1 271.276 3.390 20 0 CGADMM CCc1[nH]nc2ncc(Nc3c([O-])cc(F)cc3F)cc21 ZINC001210883198 814662183 /nfs/dbraw/zinc/66/21/83/814662183.db2.gz AUSMWDOXTKFNSF-UHFFFAOYSA-N -1 1 290.273 3.248 20 0 CGADMM CCOC(=O)c1cc(C)sc1[N-]c1nccs1 ZINC001210987129 814700067 /nfs/dbraw/zinc/70/00/67/814700067.db2.gz KKBOTGHOJQUZHK-UHFFFAOYSA-N -1 1 268.363 3.433 20 0 CGADMM [O-]c1cccc(-c2ncc(C(F)F)cn2)c1Cl ZINC001242799660 823136211 /nfs/dbraw/zinc/13/62/11/823136211.db2.gz XANDFQVVPVTEFB-UHFFFAOYSA-N -1 1 256.639 3.440 20 0 CGADMM NC(=S)c1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242801583 823137129 /nfs/dbraw/zinc/13/71/29/823137129.db2.gz AYTINGCRSMVWBM-UHFFFAOYSA-N -1 1 263.749 3.347 20 0 CGADMM Cc1noc(-c2ccnc(-c3cccc([O-])c3Cl)c2)n1 ZINC001242800982 823137224 /nfs/dbraw/zinc/13/72/24/823137224.db2.gz MMABBFDIYTUTND-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM COc1cnc2c(c1)ncnc2-c1cccc([O-])c1Cl ZINC001242801527 823137504 /nfs/dbraw/zinc/13/75/04/823137504.db2.gz VCDFMZDTKXFPOT-UHFFFAOYSA-N -1 1 287.706 3.059 20 0 CGADMM Cc1cc(C(=O)N(C)C)ncc1-c1cccc([O-])c1Cl ZINC001242803463 823138494 /nfs/dbraw/zinc/13/84/94/823138494.db2.gz RCADKODDVNQFTH-UHFFFAOYSA-N -1 1 290.750 3.118 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cc2ccccc2[nH]1 ZINC001211305736 814876541 /nfs/dbraw/zinc/87/65/41/814876541.db2.gz OBZBDPQODUMEDP-UHFFFAOYSA-N -1 1 287.304 3.094 20 0 CGADMM [O-]c1cc(F)c(-c2ccnc(N3CCCC3)c2)cc1F ZINC001211340902 814882284 /nfs/dbraw/zinc/88/22/84/814882284.db2.gz ZYTMNRKPRDZBBK-UHFFFAOYSA-N -1 1 276.286 3.333 20 0 CGADMM COCc1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211352693 814884758 /nfs/dbraw/zinc/88/47/58/814884758.db2.gz NUVFUZQOVDUVGA-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM COCOc1ccccc1Nc1cc(F)c([O-])cc1F ZINC001211566538 814909605 /nfs/dbraw/zinc/90/96/05/814909605.db2.gz KZWZJUIDXFBWOW-UHFFFAOYSA-N -1 1 281.258 3.397 20 0 CGADMM Cc1cc(Nc2cc3ccc([O-])cc3oc2=O)ccc1CO ZINC001211578647 814911055 /nfs/dbraw/zinc/91/10/55/814911055.db2.gz NDRPDEYSVFDIGU-UHFFFAOYSA-N -1 1 297.310 3.043 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1Nc1ccnn1-c1ccncc1 ZINC001211620695 814918650 /nfs/dbraw/zinc/91/86/50/814918650.db2.gz BEQOPBHBYGGMGH-UHFFFAOYSA-N -1 1 294.314 3.018 20 0 CGADMM CN(C)c1ccccc1-c1noc(-c2ccc(F)c([O-])c2)n1 ZINC001215843010 815611911 /nfs/dbraw/zinc/61/19/11/815611911.db2.gz WHSZEVFCIOOXDN-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM CSc1cc([N-]c2nonc2N)ccc1C(F)(F)F ZINC001216211578 815740797 /nfs/dbraw/zinc/74/07/97/815740797.db2.gz FOSYWLKBGNJZNP-UHFFFAOYSA-N -1 1 290.270 3.136 20 0 CGADMM CCOc1ccc(C)c(-n2[n-]c(=O)c3ccc(N)cc32)c1 ZINC001216237517 815751032 /nfs/dbraw/zinc/75/10/32/815751032.db2.gz SRDCNQSKRADODD-UHFFFAOYSA-N -1 1 283.331 3.020 20 0 CGADMM CC(C)(C)c1nnc([N-]c2cc(Cl)ccc2O)o1 ZINC001216397008 815811781 /nfs/dbraw/zinc/81/17/81/815811781.db2.gz WGLVGRVGQHMRLB-UHFFFAOYSA-N -1 1 267.716 3.470 20 0 CGADMM CC(C)(C)c1nnc([N-]c2cccc(Cl)c2N)o1 ZINC001216525402 815850666 /nfs/dbraw/zinc/85/06/66/815850666.db2.gz XSDUIQWGVASBKT-UHFFFAOYSA-N -1 1 266.732 3.346 20 0 CGADMM Cc1ccc(-c2noc(-c3c(C)cc(O)cc3[O-])n2)cc1 ZINC001216987126 815905537 /nfs/dbraw/zinc/90/55/37/815905537.db2.gz QYMKKZTVLSCTBE-UHFFFAOYSA-N -1 1 282.299 3.432 20 0 CGADMM C(OC1CCCCCCCCCCC1)c1nn[n-]n1 ZINC001223028198 816554085 /nfs/dbraw/zinc/55/40/85/816554085.db2.gz YJKLIJLDIOUUMG-UHFFFAOYSA-N -1 1 266.389 3.390 20 0 CGADMM Cc1cc2cccnc2c(-c2ccc(F)c([O-])c2)n1 ZINC001243049670 823226711 /nfs/dbraw/zinc/22/67/11/823226711.db2.gz NVPWJQUMEXARHH-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM CC(C)COc1nccnc1-c1ccc(F)c([O-])c1 ZINC001243049660 823227030 /nfs/dbraw/zinc/22/70/30/823227030.db2.gz NKBUVDWSAMQJFK-UHFFFAOYSA-N -1 1 262.284 3.023 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@@H](C)C1CCCC1 ZINC001225674496 817137356 /nfs/dbraw/zinc/13/73/56/817137356.db2.gz IRNHHUDKHZWJMQ-JTQLQIEISA-N -1 1 264.321 3.258 20 0 CGADMM CC[C@@H](Oc1[n-]c(=S)ncc1OC)c1ccccc1 ZINC001226242309 817308572 /nfs/dbraw/zinc/30/85/72/817308572.db2.gz KZLVQPUYOYEQMV-LLVKDONJSA-N -1 1 276.361 3.304 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@H]1CCc2ccc(C)cc21 ZINC001226241958 817308582 /nfs/dbraw/zinc/30/85/82/817308582.db2.gz DZLPVCMAQQYYST-LBPRGKRZSA-N -1 1 288.372 3.149 20 0 CGADMM Cc1cc(=O)oc2cc([O-])cc(O[C@@H]3C[C@H]4C=C[C@@H]3C4)c12 ZINC001226484321 817372333 /nfs/dbraw/zinc/37/23/33/817372333.db2.gz CTSZIQSIHQLGQO-DMDPSCGWSA-N -1 1 284.311 3.150 20 0 CGADMM Cc1nc(=O)[n-]c(O[C@@H](c2cccnc2)C2CC2)c1Cl ZINC001227111718 817560836 /nfs/dbraw/zinc/56/08/36/817560836.db2.gz QATSFNGCVBFAOB-GFCCVEGCSA-N -1 1 291.738 3.069 20 0 CGADMM Cc1cccc(OC[C@H](C)Oc2[n-]c(=S)ncc2F)c1 ZINC001227385383 817636819 /nfs/dbraw/zinc/63/68/19/817636819.db2.gz HRGUQORRGBFRBG-JTQLQIEISA-N -1 1 294.351 3.059 20 0 CGADMM COC(=O)[C@H]1C[C@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227641143 817685712 /nfs/dbraw/zinc/68/57/12/817685712.db2.gz KSDQASLJEMYAPN-LJGSYFOKSA-N -1 1 291.130 3.029 20 0 CGADMM [O-]c1cc(Cl)c(O[C@@H]2CCn3ccnc32)cc1Cl ZINC001227641356 817686388 /nfs/dbraw/zinc/68/63/88/817686388.db2.gz MTYDKRXCICVHGL-SNVBAGLBSA-N -1 1 285.130 3.419 20 0 CGADMM C[C@H](Oc1[n-]c(=O)nc2c1COC2)c1cccc(Cl)c1 ZINC001227686328 817693149 /nfs/dbraw/zinc/69/31/49/817693149.db2.gz MFPVTIJTODFQCY-QMMMGPOBSA-N -1 1 292.722 3.006 20 0 CGADMM C[C@@H](Oc1[n-]c(=O)nc2c1CO[C@@H]2C)c1cccc(F)c1 ZINC001227713154 817700718 /nfs/dbraw/zinc/70/07/18/817700718.db2.gz NFDDAUKPXUKHMQ-RKDXNWHRSA-N -1 1 290.294 3.053 20 0 CGADMM CSc1nc(O[C@@H]2CCc3c2cccc3C)cc(=O)[n-]1 ZINC001228089032 817808059 /nfs/dbraw/zinc/80/80/59/817808059.db2.gz AJGPMIVZHGMJAK-GFCCVEGCSA-N -1 1 288.372 3.279 20 0 CGADMM CSc1nc(O[C@H](c2ccccc2)C2CC2)cc(=O)[n-]1 ZINC001228090074 817808566 /nfs/dbraw/zinc/80/85/66/817808566.db2.gz HWKNPCUUYCLMDC-CQSZACIVSA-N -1 1 288.372 3.434 20 0 CGADMM CC(C)C[C@@H](Cc1ccccc1)Oc1cnnc(=S)[n-]1 ZINC001228635987 817959064 /nfs/dbraw/zinc/95/90/64/817959064.db2.gz GNJJIVZOBXZUDB-ZDUSSCGKSA-N -1 1 289.404 3.197 20 0 CGADMM Oc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)ccc1Cl ZINC001231730747 818162303 /nfs/dbraw/zinc/16/23/03/818162303.db2.gz FRSFCRHDZPWDJJ-WFASDCNBSA-N -1 1 281.783 3.047 20 0 CGADMM Cc1cc([C@@H]2CCCN2Cc2ccc(F)c([O-])c2F)no1 ZINC001232930654 818475060 /nfs/dbraw/zinc/47/50/60/818475060.db2.gz CRPPXBKERRZTHG-ZDUSSCGKSA-N -1 1 294.301 3.304 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CCC[C@@H]1c1cccnc1 ZINC001233032844 818504189 /nfs/dbraw/zinc/50/41/89/818504189.db2.gz ULNMAPSYMHDCHD-CYBMUJFWSA-N -1 1 289.766 3.173 20 0 CGADMM CCOC(=O)c1ccc(C)c(-c2ccc([O-])c(F)c2F)n1 ZINC001243339590 823353129 /nfs/dbraw/zinc/35/31/29/823353129.db2.gz MYHNKHLMMGJMKS-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1CCOC[C@H]1C ZINC001233653350 818671524 /nfs/dbraw/zinc/67/15/24/818671524.db2.gz KEQBQOMQNOGRID-IAQYHMDHSA-N -1 1 278.348 3.179 20 0 CGADMM COCc1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243341248 823356373 /nfs/dbraw/zinc/35/63/73/823356373.db2.gz LYJMIYCZDJVRCW-UHFFFAOYSA-N -1 1 250.244 3.484 20 0 CGADMM [O-]c1ccc(-c2cc3[nH]cnc3cc2F)c(F)c1F ZINC001243344007 823358477 /nfs/dbraw/zinc/35/84/77/823358477.db2.gz VTVZSQFYXISMTJ-UHFFFAOYSA-N -1 1 264.206 3.353 20 0 CGADMM CC(=O)Nc1ccc(-c2ccc([O-])c(F)c2F)cc1 ZINC001243343195 823358563 /nfs/dbraw/zinc/35/85/63/823358563.db2.gz YJBMOPMKFPPSBY-UHFFFAOYSA-N -1 1 263.243 3.296 20 0 CGADMM [O-]c1ccc(-c2cnc(OCC3CCC3)nc2)c(F)c1F ZINC001243344003 823358943 /nfs/dbraw/zinc/35/89/43/823358943.db2.gz VQPCLHDTJQLREQ-UHFFFAOYSA-N -1 1 292.285 3.306 20 0 CGADMM FC(F)(F)C(Oc1nc2sccc2[n-]1)C(F)(F)F ZINC001234851177 818933281 /nfs/dbraw/zinc/93/32/81/818933281.db2.gz GKODZPXFMMPPDG-UHFFFAOYSA-N -1 1 290.188 3.496 20 0 CGADMM Cc1c2[nH]cnc2ccc1-c1ccc(C(=O)[O-])cc1 ZINC001236060930 819294417 /nfs/dbraw/zinc/29/44/17/819294417.db2.gz QKXDBKMPKHVDOZ-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM Cc1ccc(F)c(-c2ccc3ccncc3n2)c1[O-] ZINC001236390035 819445761 /nfs/dbraw/zinc/44/57/61/819445761.db2.gz CLTSLICZNRIEJQ-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM Cc1ccc(F)c(-c2ccc3ncccc3n2)c1[O-] ZINC001236389999 819446137 /nfs/dbraw/zinc/44/61/37/819446137.db2.gz CEEQPNUSFJWKOY-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM Cc1ccc(F)c(-c2cc(C(N)=O)c3ccccc3n2)c1[O-] ZINC001236391618 819447478 /nfs/dbraw/zinc/44/74/78/819447478.db2.gz PQLRQIUFZJDHSO-UHFFFAOYSA-N -1 1 296.301 3.154 20 0 CGADMM Cc1ccc(F)c(-c2cc(N3CCCCC3)ncn2)c1[O-] ZINC001236392538 819447810 /nfs/dbraw/zinc/44/78/10/819447810.db2.gz SFWASAUTQIZAST-UHFFFAOYSA-N -1 1 287.338 3.287 20 0 CGADMM COc1cc(F)cc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243503994 823422496 /nfs/dbraw/zinc/42/24/96/823422496.db2.gz LTOIHLBDZNFQGW-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CN1Cc2c(cccc2-c2cc(F)cc(F)c2[O-])NC1=O ZINC001243503431 823422719 /nfs/dbraw/zinc/42/27/19/823422719.db2.gz CHCMZCQRLBOJIW-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cc(F)c2nccn2c1 ZINC001243505076 823423367 /nfs/dbraw/zinc/42/33/67/823423367.db2.gz BCOFPFBELLEMNM-UHFFFAOYSA-N -1 1 264.206 3.124 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1CN1CCc2ccc(F)cc2C1 ZINC001238148503 819942089 /nfs/dbraw/zinc/94/20/89/819942089.db2.gz FDNSLDMPDQUNLK-UHFFFAOYSA-N -1 1 299.345 3.391 20 0 CGADMM COc1cncc(OC)c1-c1ccc(Cl)c([O-])c1 ZINC001243580383 823453513 /nfs/dbraw/zinc/45/35/13/823453513.db2.gz BPUAJLMDUHOICF-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM [O-]c1cc(-c2ncc(OC(F)F)cn2)ccc1Cl ZINC001243576398 823451285 /nfs/dbraw/zinc/45/12/85/823451285.db2.gz NKAIDUAILYBSAL-UHFFFAOYSA-N -1 1 272.638 3.104 20 0 CGADMM [O-]c1cc(-c2cc(N3CCCC3)ncn2)ccc1Cl ZINC001243576076 823451373 /nfs/dbraw/zinc/45/13/73/823451373.db2.gz GXMRUBSRRZYJNU-UHFFFAOYSA-N -1 1 275.739 3.103 20 0 CGADMM O=C1NCCN1c1cccc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243577812 823452369 /nfs/dbraw/zinc/45/23/69/823452369.db2.gz FZBCQBQIFSNEBW-UHFFFAOYSA-N -1 1 288.734 3.242 20 0 CGADMM [O-]c1cc(-c2ccnc(N3CCCCC3)n2)ccc1Cl ZINC001243579675 823452578 /nfs/dbraw/zinc/45/25/78/823452578.db2.gz XAKAEYWUEOOWPD-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM [O-]c1cc(-c2cc3c(nn2)CCCC3)ccc1Cl ZINC001243578920 823452875 /nfs/dbraw/zinc/45/28/75/823452875.db2.gz LVVQGVLXBUVVCY-UHFFFAOYSA-N -1 1 260.724 3.381 20 0 CGADMM CC(C)n1cnc2cnc(-c3ccc(Cl)c([O-])c3)nc21 ZINC001243578722 823453025 /nfs/dbraw/zinc/45/30/25/823453025.db2.gz JOXNZRIPDPNILJ-UHFFFAOYSA-N -1 1 288.738 3.433 20 0 CGADMM C[S@](=O)c1ccccc1-c1ccc(Cl)c([O-])c1 ZINC001243581290 823454303 /nfs/dbraw/zinc/45/43/03/823454303.db2.gz OCKIRAKYMHDQDW-KRWDZBQOSA-N -1 1 266.749 3.450 20 0 CGADMM COc1cc(-c2ccc(Cl)c([O-])c2)c(OC)cn1 ZINC001243581561 823454383 /nfs/dbraw/zinc/45/43/83/823454383.db2.gz IIDWSHAVKVLDFX-UHFFFAOYSA-N -1 1 265.696 3.125 20 0 CGADMM NC(=O)c1cnc2ccc(-c3ccc(Cl)c([O-])c3)cc2c1 ZINC001243584242 823455540 /nfs/dbraw/zinc/45/55/40/823455540.db2.gz UCRZKSZRFVJRAZ-UHFFFAOYSA-N -1 1 298.729 3.360 20 0 CGADMM Cc1ccc(-c2ccc(C(F)(F)F)cc2[O-])nc1N ZINC001243607704 823465636 /nfs/dbraw/zinc/46/56/36/823465636.db2.gz QKVOXWPSMXBZAV-UHFFFAOYSA-N -1 1 268.238 3.364 20 0 CGADMM COC(=O)c1nc2cc(-c3ccccc3C)ccc2[n-]1 ZINC001239503141 820351765 /nfs/dbraw/zinc/35/17/65/820351765.db2.gz XQPXQJWKWRHMQT-UHFFFAOYSA-N -1 1 266.300 3.325 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccccc3C)cc2[n-]1 ZINC001239503141 820351772 /nfs/dbraw/zinc/35/17/72/820351772.db2.gz XQPXQJWKWRHMQT-UHFFFAOYSA-N -1 1 266.300 3.325 20 0 CGADMM Cc1cc2nc(C)nc(-c3cc(F)ccc3[O-])c2[nH]1 ZINC001240694059 821249969 /nfs/dbraw/zinc/24/99/69/821249969.db2.gz OARKQXHPAWOQGS-UHFFFAOYSA-N -1 1 257.268 3.086 20 0 CGADMM [O-]c1ccc(-c2ncccc2OC(F)F)cc1F ZINC001240782108 821321915 /nfs/dbraw/zinc/32/19/15/821321915.db2.gz PKKSMYLPUSAICM-UHFFFAOYSA-N -1 1 255.195 3.195 20 0 CGADMM CC(C)COc1nccnc1-c1ccc([O-])c(F)c1 ZINC001240786674 821327028 /nfs/dbraw/zinc/32/70/28/821327028.db2.gz ZJTVTKZDEKGESD-UHFFFAOYSA-N -1 1 262.284 3.023 20 0 CGADMM Cc1nc2cccc(-c3ccc(CC(=O)[O-])cc3)c2[nH]1 ZINC001240975764 821459438 /nfs/dbraw/zinc/45/94/38/821459438.db2.gz ZRZRFSBQRJVSEI-UHFFFAOYSA-N -1 1 266.300 3.165 20 0 CGADMM Cc1ccc(C(=O)[O-])cc1-c1nccc2c1ccn2C ZINC001240999845 821478471 /nfs/dbraw/zinc/47/84/71/821478471.db2.gz WSMOMLPJBSFISW-UHFFFAOYSA-N -1 1 266.300 3.247 20 0 CGADMM Cc1ccc(-c2ncc(C(F)(F)F)cn2)c([O-])c1 ZINC001241027614 821502671 /nfs/dbraw/zinc/50/26/71/821502671.db2.gz BUPVIGSIAFIQQJ-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM CCOC(=O)c1ccnc(-c2c(F)cc([O-])cc2F)c1C ZINC001241117435 821572220 /nfs/dbraw/zinc/57/22/20/821572220.db2.gz OJROKWJVEHWCRJ-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM Cc1nc2ncc(-c3c(F)cc([O-])cc3F)nc2s1 ZINC001241118033 821572588 /nfs/dbraw/zinc/57/25/88/821572588.db2.gz DCTPZXZGROJFBL-UHFFFAOYSA-N -1 1 279.271 3.046 20 0 CGADMM Cc1nc(-c2ccccn2)cc(-c2c(F)cc([O-])cc2F)n1 ZINC001241119035 821574057 /nfs/dbraw/zinc/57/40/57/821574057.db2.gz CSVZGPCYODKQOO-UHFFFAOYSA-N -1 1 299.280 3.498 20 0 CGADMM [O-]c1cc(F)c(-c2cccc(OC(F)F)n2)c(F)c1 ZINC001241118591 821574178 /nfs/dbraw/zinc/57/41/78/821574178.db2.gz RJCOIPLMEFPFDH-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM Cc1cc2nc(C)nc(-c3c(F)cc([O-])cc3F)c2[nH]1 ZINC001241119644 821574207 /nfs/dbraw/zinc/57/42/07/821574207.db2.gz HZJKHOMAUHCJQY-UHFFFAOYSA-N -1 1 275.258 3.226 20 0 CGADMM CC(=O)Nc1ccc(-c2c(F)cc([O-])cc2F)c(F)c1 ZINC001241120612 821575682 /nfs/dbraw/zinc/57/56/82/821575682.db2.gz CRQNWVUKVXLZDD-UHFFFAOYSA-N -1 1 281.233 3.435 20 0 CGADMM [O-]c1cc(F)c(-c2nccc3ncsc32)c(F)c1 ZINC001241120491 821575747 /nfs/dbraw/zinc/57/57/47/821575747.db2.gz XCEZZLLIUKHGRX-UHFFFAOYSA-N -1 1 264.256 3.342 20 0 CGADMM CSc1ccc(-c2c(F)cc([O-])cc2F)nc1 ZINC001241120996 821577345 /nfs/dbraw/zinc/57/73/45/821577345.db2.gz XHFDSFGTEYWPSC-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3ncncc3c2)c(F)c1 ZINC001241122022 821578297 /nfs/dbraw/zinc/57/82/97/821578297.db2.gz IVJHQBNRHGFNFT-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM COC(=O)Cc1ccc(-c2c(F)cc([O-])cc2F)cc1F ZINC001241122220 821578662 /nfs/dbraw/zinc/57/86/62/821578662.db2.gz XMZDTVRWJOQYIO-UHFFFAOYSA-N -1 1 296.244 3.192 20 0 CGADMM COc1c(F)cccc1-c1c(F)cc([O-])cc1F ZINC001241121662 821579004 /nfs/dbraw/zinc/57/90/04/821579004.db2.gz AFEOLLPNEVXGGL-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM O=C1CC[C@@H](c2ccc(-c3c(F)cc([O-])cc3F)cc2)N1 ZINC001241124554 821581637 /nfs/dbraw/zinc/58/16/37/821581637.db2.gz IEPBORWAMKOLOH-AWEZNQCLSA-N -1 1 289.281 3.289 20 0 CGADMM Cc1cnc(-c2cc([O-])cc(F)c2)nc1NC(C)C ZINC001241257961 821678333 /nfs/dbraw/zinc/67/83/33/821678333.db2.gz QJMPHCLWECMQPY-UHFFFAOYSA-N -1 1 261.300 3.117 20 0 CGADMM CCCNc1cc(C)nc(-c2c(F)ccc([O-])c2F)n1 ZINC001241290950 821707897 /nfs/dbraw/zinc/70/78/97/821707897.db2.gz RNACSUQFZKXIBL-UHFFFAOYSA-N -1 1 279.290 3.258 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(N3CCCCC3)nn2)c1F ZINC001241291283 821708041 /nfs/dbraw/zinc/70/80/41/821708041.db2.gz VSRWXPCLNZPEFA-UHFFFAOYSA-N -1 1 291.301 3.118 20 0 CGADMM COC(=O)[C@H](C)c1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241291031 821708244 /nfs/dbraw/zinc/70/82/44/821708244.db2.gz HEXGDYLVOHGIAC-MRVPVSSYSA-N -1 1 293.269 3.009 20 0 CGADMM Cc1cnc(-c2c(F)ccc([O-])c2F)nc1NC1CC1 ZINC001241290961 821708428 /nfs/dbraw/zinc/70/84/28/821708428.db2.gz RVSLSIQPDIODDY-UHFFFAOYSA-N -1 1 277.274 3.010 20 0 CGADMM CCOc1ccc(-c2c(F)ccc([O-])c2F)nc1 ZINC001241291926 821709559 /nfs/dbraw/zinc/70/95/59/821709559.db2.gz YIRFNPJNHPAHPK-UHFFFAOYSA-N -1 1 251.232 3.131 20 0 CGADMM c1cc2cccc(-c3ccc(-c4nnn[n-]4)nc3)c2s1 ZINC001241404002 821801094 /nfs/dbraw/zinc/80/10/94/821801094.db2.gz MJNBEIVEBODGEV-UHFFFAOYSA-N -1 1 279.328 3.143 20 0 CGADMM c1cc2cccc(-c3ccc(-c4nn[n-]n4)nc3)c2s1 ZINC001241404002 821801101 /nfs/dbraw/zinc/80/11/01/821801101.db2.gz MJNBEIVEBODGEV-UHFFFAOYSA-N -1 1 279.328 3.143 20 0 CGADMM Cn1ccc2c1ncnc2-c1cc(C(F)(F)F)ccc1[O-] ZINC001242131814 822888530 /nfs/dbraw/zinc/88/85/30/822888530.db2.gz RHLURVVVFZJDON-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM Cc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nc1N ZINC001242131543 822888628 /nfs/dbraw/zinc/88/86/28/822888628.db2.gz GVKADYIFYDEJDN-UHFFFAOYSA-N -1 1 268.238 3.364 20 0 CGADMM COC(=O)c1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC001242148297 822894714 /nfs/dbraw/zinc/89/47/14/822894714.db2.gz SAOFBYJEXPEGLA-UHFFFAOYSA-N -1 1 297.232 3.260 20 0 CGADMM CCc1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151702 822896163 /nfs/dbraw/zinc/89/61/63/822896163.db2.gz UNOGMEGZVNYQFC-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM [O-]c1ccc(-c2cnc(F)cn2)cc1C(F)(F)F ZINC001242161821 822900388 /nfs/dbraw/zinc/90/03/88/822900388.db2.gz FSFHKCMAXURPAU-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM Cc1c(F)cc(C(=O)[O-])cc1-c1cccc2cncn21 ZINC001242210810 822911866 /nfs/dbraw/zinc/91/18/66/822911866.db2.gz LVXXDGIFJJFWCX-UHFFFAOYSA-N -1 1 270.263 3.147 20 0 CGADMM CN1Cc2cccc(-c3cccc(Cl)c3[O-])c2C1=O ZINC001242364867 822968448 /nfs/dbraw/zinc/96/84/48/822968448.db2.gz TWBWDKBJXMBEMD-UHFFFAOYSA-N -1 1 273.719 3.298 20 0 CGADMM CC1(c2ccc(-c3cccc(Cl)c3[O-])cn2)OCCO1 ZINC001242367524 822969516 /nfs/dbraw/zinc/96/95/16/822969516.db2.gz OMXNITVABKCOGX-UHFFFAOYSA-N -1 1 291.734 3.327 20 0 CGADMM CC(=O)Nc1cc(-c2cccc(Cl)c2[O-])ccn1 ZINC001242368066 822970109 /nfs/dbraw/zinc/97/01/09/822970109.db2.gz VYCQXHWRSKTGSU-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM CN(C)Cc1cc(-c2cccc(C(=O)[O-])c2F)ccc1F ZINC001242381461 822975526 /nfs/dbraw/zinc/97/55/26/822975526.db2.gz BHSIJJZDYXADIS-UHFFFAOYSA-N -1 1 291.297 3.392 20 0 CGADMM CCC(CC)c1nnc([N-]C(=O)c2ccns2)s1 ZINC001346749394 936859909 /nfs/dbraw/zinc/85/99/09/936859909.db2.gz IWVQXTHLJPQCDJ-UHFFFAOYSA-N -1 1 282.394 3.151 20 0 CGADMM Cc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])n1C ZINC001353486798 937067258 /nfs/dbraw/zinc/06/72/58/937067258.db2.gz RGVISMWZAWGSFV-UHFFFAOYSA-N -1 1 294.354 3.122 20 0 CGADMM Cc1cnc(SCCc2ccc(F)c(F)c2)[n-]c1=O ZINC001363759633 937232392 /nfs/dbraw/zinc/23/23/92/937232392.db2.gz VFSYBJDMJKJUAD-UHFFFAOYSA-N -1 1 282.315 3.104 20 0 CGADMM Cc1cnc(SC[C@H]2CC3(CO2)CCCCC3)[n-]c1=O ZINC001364281502 937233441 /nfs/dbraw/zinc/23/34/41/937233441.db2.gz HIKMNHKMKWPGTI-GFCCVEGCSA-N -1 1 294.420 3.322 20 0 CGADMM CCC[C@H](C(=O)Nc1c[n-][nH]c1=O)c1ccc(Cl)cc1 ZINC001412855040 928719170 /nfs/dbraw/zinc/71/91/70/928719170.db2.gz LWWWJOUXPDCNMD-NSHDSACASA-N -1 1 293.754 3.291 20 0 CGADMM O=C(NCCCCc1ccccc1)c1ccc(F)c([O-])c1 ZINC001440760673 937333858 /nfs/dbraw/zinc/33/38/58/937333858.db2.gz WRADWMDUCAPYCV-UHFFFAOYSA-N -1 1 287.334 3.284 20 0 CGADMM CC(C)CCCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001441169867 937337138 /nfs/dbraw/zinc/33/71/38/937337138.db2.gz AQEQYGUPCFNBQS-UHFFFAOYSA-N -1 1 290.338 3.246 20 0 CGADMM CCOc1ccc(NC(=O)c2ccc([O-])cn2)cc1Cl ZINC001441681432 937339218 /nfs/dbraw/zinc/33/92/18/937339218.db2.gz FACJMZBNRRFANJ-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM Cc1csc(C(=O)Nc2c([O-])cccc2F)c1 ZINC001453011447 937399561 /nfs/dbraw/zinc/39/95/61/937399561.db2.gz HMLKEZQGENLGPP-UHFFFAOYSA-N -1 1 251.282 3.154 20 0 CGADMM C[C@H]1CC(C(=O)[N-]Oc2ccc(F)cc2)C[C@H](C)C1 ZINC001453034242 937400350 /nfs/dbraw/zinc/40/03/50/937400350.db2.gz OIDJNHGYZGOSSF-GHMZBOCLSA-N -1 1 265.328 3.308 20 0 CGADMM CCCCC1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC001454278841 937407753 /nfs/dbraw/zinc/40/77/53/937407753.db2.gz JUAXIVVLYNOIEJ-UHFFFAOYSA-N -1 1 299.374 3.487 20 0 CGADMM O=C(/C=C/c1ccccc1)Nc1cccc(F)c1[O-] ZINC001454773115 937412223 /nfs/dbraw/zinc/41/22/23/937412223.db2.gz SJFRBDLYRZMXQR-MDZDMXLPSA-N -1 1 257.264 3.183 20 0 CGADMM CC(C)(C)c1ccc(CNC(=O)c2ncccc2[O-])s1 ZINC001455510339 937418841 /nfs/dbraw/zinc/41/88/41/937418841.db2.gz TWGVHZCTGIKSPZ-UHFFFAOYSA-N -1 1 290.388 3.076 20 0 CGADMM O=C(Nc1cc(Cl)cc2c[nH]nc21)c1ccccc1[O-] ZINC001457044924 937438039 /nfs/dbraw/zinc/43/80/39/937438039.db2.gz AICRLXRYQGMJFO-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H](COC)C(C)C)n1 ZINC001458790893 937474287 /nfs/dbraw/zinc/47/42/87/937474287.db2.gz BJKNCQPRGZXYBF-LLVKDONJSA-N -1 1 284.425 3.145 20 0 CGADMM C[C@H]1CCC[C@H]1Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229129722 932101353 /nfs/dbraw/zinc/10/13/53/932101353.db2.gz PYDVJMCHCHDUQV-JOYOIKCWSA-N -1 1 260.289 3.066 20 0 CGADMM O=c1ccc2c(O[C@@H]3CCCC[C@H]3F)cc([O-])cc2o1 ZINC001229135980 932102804 /nfs/dbraw/zinc/10/28/04/932102804.db2.gz SUERIVQVFMVIIJ-VXGBXAGGSA-N -1 1 278.279 3.158 20 0 CGADMM CC1CCC(Oc2cc([O-])cc3oc(=O)ccc23)CC1 ZINC001229136245 932103080 /nfs/dbraw/zinc/10/30/80/932103080.db2.gz VDEYWFFBBJRRJR-UHFFFAOYSA-N -1 1 274.316 3.456 20 0 CGADMM Cc1ccc([C@H](C)Oc2cc([O-])cc3oc(=O)ccc23)cn1 ZINC001229135152 932103754 /nfs/dbraw/zinc/10/37/54/932103754.db2.gz KVTBIXMTJTWNSK-NSHDSACASA-N -1 1 297.310 3.342 20 0 CGADMM O=C(c1ccc([O-])cc1)c1ccc(O)cc1OC1CC=CC1 ZINC001229294795 932129203 /nfs/dbraw/zinc/12/92/03/932129203.db2.gz TZNRLOCJYZCKGJ-UHFFFAOYSA-N -1 1 296.322 3.426 20 0 CGADMM CCC[C@H](Oc1cc([O-])ccc1C(=O)CC)C(=O)OCC ZINC001229474120 932157497 /nfs/dbraw/zinc/15/74/97/932157497.db2.gz AIUSDWCICBZZSE-AWEZNQCLSA-N -1 1 294.347 3.096 20 0 CGADMM CC[C@@H](Oc1nc(C)[n-]c(=O)c1OC)c1ccccc1 ZINC001230021327 932523575 /nfs/dbraw/zinc/52/35/75/932523575.db2.gz MDYNXYUIHZUROV-GFCCVEGCSA-N -1 1 274.320 3.029 20 0 CGADMM CC/C=C(\C)[C@H](CC)Oc1nc(C)[n-]c(=O)c1OC ZINC001230025525 932523761 /nfs/dbraw/zinc/52/37/61/932523761.db2.gz JQVVPHSOXZIOOD-FBOQAHMBSA-N -1 1 266.341 3.013 20 0 CGADMM [O-]c1c(F)cc(-c2ccc3ncncc3c2)cc1F ZINC001244094155 932707114 /nfs/dbraw/zinc/70/71/14/932707114.db2.gz PHKUOYIXAQKAHY-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM Cc1cnc(C(=O)NCCC2CCC(F)(F)CC2)c([O-])c1 ZINC001304984737 932750677 /nfs/dbraw/zinc/75/06/77/932750677.db2.gz AACMECUHQAQINN-UHFFFAOYSA-N -1 1 298.333 3.041 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1ccc(C(C)C)nc1 ZINC001303927817 932835870 /nfs/dbraw/zinc/83/58/70/932835870.db2.gz BUMJTUZPMGOAPE-UHFFFAOYSA-N -1 1 286.331 3.172 20 0 CGADMM O=C(Nc1ccccc1-c1ccccc1)c1cnncc1O ZINC001463763109 937680181 /nfs/dbraw/zinc/68/01/81/937680181.db2.gz UAPHMDUHRBVTDM-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM O=C(Nc1ccccc1-c1ccccc1)c1cnncc1[O-] ZINC001463763109 937680183 /nfs/dbraw/zinc/68/01/83/937680183.db2.gz UAPHMDUHRBVTDM-UHFFFAOYSA-N -1 1 291.310 3.102 20 0 CGADMM Cc1ccccc1C[C@H](C)NC(=O)c1cccc([O-])c1F ZINC001464644298 937693537 /nfs/dbraw/zinc/69/35/37/937693537.db2.gz KUGUPBWQTKMGFD-LBPRGKRZSA-N -1 1 287.334 3.201 20 0 CGADMM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001465373192 937700560 /nfs/dbraw/zinc/70/05/60/937700560.db2.gz JJFMIJKYERZIIX-RKDXNWHRSA-N -1 1 287.281 3.282 20 0 CGADMM O=C([N-]c1cnoc1)c1nc(-c2ccccc2)oc1C1CC1 ZINC001318246096 933702492 /nfs/dbraw/zinc/70/24/92/933702492.db2.gz OGPIZXCFXYNVNI-UHFFFAOYSA-N -1 1 295.298 3.459 20 0 CGADMM O=C(CSCc1cccs1)Nc1ccc(F)cc1[O-] ZINC001319319647 933856265 /nfs/dbraw/zinc/85/62/65/933856265.db2.gz DIOLIGPBOYKJAY-UHFFFAOYSA-N -1 1 297.376 3.465 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1ncsc1C1CC1 ZINC001468748589 937731314 /nfs/dbraw/zinc/73/13/14/937731314.db2.gz YVESVRNNSGXHOZ-UHFFFAOYSA-N -1 1 296.298 3.257 20 0 CGADMM CC(C)[C@@H]1C[C@H](NC(=O)c2ccc([O-])cn2)c2ccccc21 ZINC001471051243 937760803 /nfs/dbraw/zinc/76/08/03/937760803.db2.gz YIALIPBOEVTBID-RDJZCZTQSA-N -1 1 296.370 3.402 20 0 CGADMM CCN(Cc1ccccc1F)C(=O)c1cc(F)ccc1[O-] ZINC001323318997 934386675 /nfs/dbraw/zinc/38/66/75/934386675.db2.gz SPIFKQWEEIGXFK-UHFFFAOYSA-N -1 1 291.297 3.333 20 0 CGADMM CC1(C)CN(C(=O)Cc2ccc([O-])c(Cl)c2)C1(C)C ZINC001331907361 935420127 /nfs/dbraw/zinc/42/01/27/935420127.db2.gz JGBBZYLOIGRTPJ-UHFFFAOYSA-N -1 1 281.783 3.235 20 0 CGADMM O=C(OC[C@H]1CCC2(CCC2)CO1)c1ccc([O-])cc1F ZINC001333908666 936074559 /nfs/dbraw/zinc/07/45/59/936074559.db2.gz HDAZRDZHKMLNDD-GFCCVEGCSA-N -1 1 294.322 3.037 20 0 CGADMM CCC[C@H](C)C[C@@H](NCc1ccc(OCC)o1)C(=O)[O-] ZINC001335183336 936132567 /nfs/dbraw/zinc/13/25/67/936132567.db2.gz AESYPEAKIOLOOP-WCQYABFASA-N -1 1 283.368 3.047 20 0 CGADMM CCCCN(C(=O)c1cnncc1[O-])[C@@H]1CCC[C@H](C)C1 ZINC001335971784 936169746 /nfs/dbraw/zinc/16/97/46/936169746.db2.gz XPDSIMYBHFBDRF-QWHCGFSZSA-N -1 1 291.395 3.003 20 0 CGADMM CCS(=O)(=O)[N-]c1cc(-c2occc2C)ccc1OC ZINC001337838945 936293553 /nfs/dbraw/zinc/29/35/53/936293553.db2.gz WCCLJIGCQHEZPF-UHFFFAOYSA-N -1 1 295.360 3.025 20 0 CGADMM O=C(NC[C@@H]1C[C@@H]1C1CCCC1)c1ccc([O-])cc1F ZINC001522615822 938037266 /nfs/dbraw/zinc/03/72/66/938037266.db2.gz CAIDVUALTOPBQK-SMDDNHRTSA-N -1 1 277.339 3.087 20 0 CGADMM Cc1ccccc1CN(C)C(=O)c1cccc([O-])c1F ZINC001540258854 938129219 /nfs/dbraw/zinc/12/92/19/938129219.db2.gz RHQBULPENPKQOW-UHFFFAOYSA-N -1 1 273.307 3.112 20 0 CGADMM O=C(NCc1ccc(Cl)s1)c1ccc(F)c([O-])c1 ZINC001540619719 938132498 /nfs/dbraw/zinc/13/24/98/938132498.db2.gz MNXRVMJSHFMZGK-UHFFFAOYSA-N -1 1 285.727 3.176 20 0 CGADMM Cc1ccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])nc1 ZINC001540789341 938133993 /nfs/dbraw/zinc/13/39/93/938133993.db2.gz BKVZSONMCUNIKQ-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM CSc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cn1 ZINC001542798890 938137008 /nfs/dbraw/zinc/13/70/08/938137008.db2.gz OWFBHCVXXCEYMV-UHFFFAOYSA-N -1 1 296.298 3.040 20 0 CGADMM O=C(NCCCc1cccc(F)c1)c1ccc(F)c([O-])c1 ZINC001543022508 938137466 /nfs/dbraw/zinc/13/74/66/938137466.db2.gz IFICEDPIYXHZBT-UHFFFAOYSA-N -1 1 291.297 3.033 20 0 CGADMM CC[C@@H](NC(=O)c1ncc(C)cc1[O-])c1ccc(C)cc1 ZINC001545012264 938148286 /nfs/dbraw/zinc/14/82/86/938148286.db2.gz QVSNHXMDXDNVJP-CQSZACIVSA-N -1 1 284.359 3.285 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CC[C@H]1C1CCCCC1 ZINC001551760187 938185791 /nfs/dbraw/zinc/18/57/91/938185791.db2.gz QJDVZOIMBGEQAN-AWEZNQCLSA-N -1 1 277.339 3.326 20 0 CGADMM CCc1cccc(CC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001556919999 938206496 /nfs/dbraw/zinc/20/64/96/938206496.db2.gz YTDFPDAWBZNJAP-UHFFFAOYSA-N -1 1 291.297 3.414 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1onc2ccccc21 ZINC001556920119 938206552 /nfs/dbraw/zinc/20/65/52/938206552.db2.gz CWALAMBXRYLZGU-UHFFFAOYSA-N -1 1 290.225 3.064 20 0 CGADMM Cc1cccnc1/C=C/C(=O)Nc1cc([O-])c(F)cc1F ZINC001556919609 938206561 /nfs/dbraw/zinc/20/65/61/938206561.db2.gz IMLWAUFQTRWBTJ-SNAWJCMRSA-N -1 1 290.269 3.026 20 0 CGADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])[C@H]1CC1(C)C ZINC001557079161 938207599 /nfs/dbraw/zinc/20/75/99/938207599.db2.gz QJCQXEDGJJKTJA-VXGBXAGGSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1ccc(C[C@@H](C)C(=O)[N-]Oc2ccc(F)cc2)cc1 ZINC001557412125 938209764 /nfs/dbraw/zinc/20/97/64/938209764.db2.gz CNPFRFMTPBVDOE-CYBMUJFWSA-N -1 1 287.334 3.423 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccccc1OC(F)F ZINC001557957710 938212721 /nfs/dbraw/zinc/21/27/21/938212721.db2.gz UDOHEUKQDHIJEC-UHFFFAOYSA-N -1 1 297.232 3.385 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H](F)c1ccccc1 ZINC001558209611 938214086 /nfs/dbraw/zinc/21/40/86/938214086.db2.gz WEMHKCNWYNJINV-AWEZNQCLSA-N -1 1 293.725 3.373 20 0 CGADMM CC(C)(/C=C/Cl)NC(=O)c1cc(Cl)ccc1[O-] ZINC001558424426 938215288 /nfs/dbraw/zinc/21/52/88/938215288.db2.gz IEVRMBSWNTXCDF-AATRIKPKSA-N -1 1 274.147 3.307 20 0 CGADMM Cc1cc(F)c(C(=O)Nc2nc(Cl)ccc2[O-])c(F)c1 ZINC001558966817 938218638 /nfs/dbraw/zinc/21/86/38/938218638.db2.gz CSNAXSSJNUAEDC-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])c(F)c1F ZINC001558955836 938218671 /nfs/dbraw/zinc/21/86/71/938218671.db2.gz LUVUNJNDNRCBOQ-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM Cc1cnc(SCc2cc(F)cc(F)c2)[n-]c1=O ZINC001559416333 938226369 /nfs/dbraw/zinc/22/63/69/938226369.db2.gz FOSWVIAOWYYKBW-UHFFFAOYSA-N -1 1 268.288 3.061 20 0 CGADMM CCOc1ccc(Cl)cc1CN1CCC[C@H](C(=O)[O-])C1 ZINC001592663106 951342900 /nfs/dbraw/zinc/34/29/00/951342900.db2.gz FOOGVHOBNWBZHT-NSHDSACASA-N -1 1 297.782 3.035 20 0 CGADMM Cc1ccc([C@H](C)NCc2cccc(C(=O)[O-])n2)s1 ZINC000235518452 960448498 /nfs/dbraw/zinc/44/84/98/960448498.db2.gz QANIFDHJGWNLAD-JTQLQIEISA-N -1 1 276.361 3.001 20 0 CGADMM O=C(Nc1c(O)cccc1Cl)c1ccc(F)c([O-])c1 ZINC001569682032 961817652 /nfs/dbraw/zinc/81/76/52/961817652.db2.gz HYFXKMWWIPKIGA-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001570159023 961916009 /nfs/dbraw/zinc/91/60/09/961916009.db2.gz PHNGHDORMSODHH-SUMWQHHRSA-N -1 1 284.359 3.105 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCSC2(CCC2)CC1 ZINC001570323958 961943891 /nfs/dbraw/zinc/94/38/91/961943891.db2.gz LGYQRRTXHQLMFS-UHFFFAOYSA-N -1 1 295.379 3.033 20 0 CGADMM Cc1ccc(F)c(CC(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001570465693 961976856 /nfs/dbraw/zinc/97/68/56/961976856.db2.gz LASGMVZVDKCWRW-UHFFFAOYSA-N -1 1 295.260 3.299 20 0 CGADMM CNc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])cc1F ZINC001570465523 961979430 /nfs/dbraw/zinc/97/94/30/961979430.db2.gz CSGNHLCXSISTSA-UHFFFAOYSA-N -1 1 296.248 3.104 20 0 CGADMM Cc1cccc(CSCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001581240907 962753788 /nfs/dbraw/zinc/75/37/88/962753788.db2.gz QVINJSMAPQGYIH-UHFFFAOYSA-N -1 1 286.360 3.202 20 0 CGADMM Cc1cccc(CSCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001581240907 962753795 /nfs/dbraw/zinc/75/37/95/962753795.db2.gz QVINJSMAPQGYIH-UHFFFAOYSA-N -1 1 286.360 3.202 20 0 CGADMM Cc1cc(C)c(CC(=O)Nc2c([O-])cccc2F)s1 ZINC001583972416 962875467 /nfs/dbraw/zinc/87/54/67/962875467.db2.gz ZULOEFGNDLPRLR-UHFFFAOYSA-N -1 1 279.336 3.391 20 0 CGADMM Cc1ccccc1CC1CN(C(=O)c2cccc([O-])c2F)C1 ZINC001585338423 963002794 /nfs/dbraw/zinc/00/27/94/963002794.db2.gz OALCESSJWHSNJG-UHFFFAOYSA-N -1 1 299.345 3.154 20 0 CGADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001587543841 963204289 /nfs/dbraw/zinc/20/42/89/963204289.db2.gz GUKVNYIGIDNVES-GXFFZTMASA-N -1 1 279.355 3.476 20 0 CGADMM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001587543622 963204371 /nfs/dbraw/zinc/20/43/71/963204371.db2.gz DHGKYWXPYWXMKQ-NEPJUHHUSA-N -1 1 297.395 3.325 20 0 CGADMM C/C(=C/CN[C@@H](c1ccc(C)cc1)c1ccccn1)C(=O)[O-] ZINC001588982049 963338562 /nfs/dbraw/zinc/33/85/62/963338562.db2.gz MHNHSWJZUWWRTC-QXSWTLKVSA-N -1 1 296.370 3.100 20 0 CGADMM CC(C)C(C)(C)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC001589425214 963988371 /nfs/dbraw/zinc/98/83/71/963988371.db2.gz FCBZHLADVLFQQN-UHFFFAOYSA-N -1 1 297.815 3.442 20 0 CGADMM CC(C)C(C)(C)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC001589425214 963988379 /nfs/dbraw/zinc/98/83/79/963988379.db2.gz FCBZHLADVLFQQN-UHFFFAOYSA-N -1 1 297.815 3.442 20 0 CGADMM O=C([O-])C[C@@H]1CCCN(Cc2cccc(F)c2Cl)C1 ZINC000166457958 967673033 /nfs/dbraw/zinc/67/30/33/967673033.db2.gz SQAKKQDBNZCUKP-JTQLQIEISA-N -1 1 285.746 3.166 20 0 CGADMM CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328360862 968053369 /nfs/dbraw/zinc/05/33/69/968053369.db2.gz SSSUVWBBJUYYPV-HNNXBMFYSA-N -1 1 297.782 3.122 20 0 CGADMM CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328360862 968053375 /nfs/dbraw/zinc/05/33/75/968053375.db2.gz SSSUVWBBJUYYPV-HNNXBMFYSA-N -1 1 297.782 3.122 20 0 CGADMM CC[C@@H](Sc1nc(Cc2ccccc2)c(C)[nH]1)C(=O)[O-] ZINC001603592692 973791503 /nfs/dbraw/zinc/79/15/03/973791503.db2.gz KHHAJNAMUHNQTK-CYBMUJFWSA-N -1 1 290.388 3.264 20 0 CGADMM CC[C@@H]1CN(Cc2ccc(C)c(C(=O)[O-])c2)C[C@H](CC)O1 ZINC001595486913 981230410 /nfs/dbraw/zinc/23/04/10/981230410.db2.gz GIZCKFJEECWAGK-GASCZTMLSA-N -1 1 291.391 3.083 20 0 CGADMM CCc1ccc([C@@H](C)NCc2ccccc2CC(=O)[O-])o1 ZINC001597513218 988106818 /nfs/dbraw/zinc/10/68/18/988106818.db2.gz NMPLTJPTHNWRAG-GFCCVEGCSA-N -1 1 287.359 3.320 20 0 CGADMM CCc1ccc(C)nc1N[C@@H]1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC001597514363 988119835 /nfs/dbraw/zinc/11/98/35/988119835.db2.gz LWJMWUHUTCPTHH-KWCYVHTRSA-N -1 1 276.380 3.254 20 0 CGADMM CCc1ccc(CN(C)Cc2cc(C)c(C(=O)[O-])[nH]2)cc1 ZINC001597526144 988170209 /nfs/dbraw/zinc/17/02/09/988170209.db2.gz OBCJHRBLHRZSSP-UHFFFAOYSA-N -1 1 286.375 3.216 20 0 CGADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC[C@H](C(C)(C)C)C1 ZINC001593724335 996265127 /nfs/dbraw/zinc/26/51/27/996265127.db2.gz FIBLGGVVUZGILQ-QWRGUYRKSA-N -1 1 280.368 3.192 20 0 CGADMM CC1(C)Nc2ccccc2[C@H]1NCc1cc(C(=O)[O-])co1 ZINC001593974696 997156685 /nfs/dbraw/zinc/15/66/85/997156685.db2.gz WZMMTJAWGFMLAU-CQSZACIVSA-N -1 1 286.331 3.013 20 0 CGADMM O=C(Nc1cccc2ccsc21)c1cncc([O-])c1 ZINC000337405131 214059097 /nfs/dbraw/zinc/05/90/97/214059097.db2.gz MKYTYDWDIWQEOW-UHFFFAOYSA-N -1 1 270.313 3.254 20 0 CGADMM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000337706537 214225344 /nfs/dbraw/zinc/22/53/44/214225344.db2.gz BTQUAPQQJGLGSJ-SNVBAGLBSA-N -1 1 291.363 3.068 20 0 CGADMM Cc1cnc(OC(C)C)c(NC(=O)c2ccccc2[O-])c1 ZINC000622625917 349690508 /nfs/dbraw/zinc/69/05/08/349690508.db2.gz XVFHAZJDFNJXKJ-UHFFFAOYSA-N -1 1 286.331 3.135 20 0 CGADMM CCC[C@@H](C)NC(=O)c1cc(Br)ccc1[O-] ZINC000036674941 344944700 /nfs/dbraw/zinc/94/47/00/344944700.db2.gz KBRFOGVASYQVLT-MRVPVSSYSA-N -1 1 286.169 3.073 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1cccc(C)c1 ZINC000051361517 345089550 /nfs/dbraw/zinc/08/95/50/345089550.db2.gz OIZOALUJZOCHPZ-UHFFFAOYSA-N -1 1 273.332 3.227 20 0 CGADMM CCO[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000067519467 345324345 /nfs/dbraw/zinc/32/43/45/345324345.db2.gz OFVSQVAGSJMDQD-HNNXBMFYSA-N -1 1 299.370 3.187 20 0 CGADMM Cc1cccc([C@H]2CCN(C(=O)c3ccc([O-])cc3F)C2)c1 ZINC000273249140 192087300 /nfs/dbraw/zinc/08/73/00/192087300.db2.gz OBEKVCDXFNXURT-AWEZNQCLSA-N -1 1 299.345 3.469 20 0 CGADMM Cc1ccc(OCC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000067739067 345330770 /nfs/dbraw/zinc/33/07/70/345330770.db2.gz PUBIDPLULQIPBI-UHFFFAOYSA-N -1 1 291.734 3.372 20 0 CGADMM O=C(Nc1ccc(-c2ncco2)cc1)c1ccccc1[O-] ZINC000156803907 232229106 /nfs/dbraw/zinc/22/91/06/232229106.db2.gz LTFMVLOFAWSFHE-UHFFFAOYSA-N -1 1 280.283 3.300 20 0 CGADMM Cc1cscc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000161582708 232250379 /nfs/dbraw/zinc/25/03/79/232250379.db2.gz FKICGRLGADGRDR-UHFFFAOYSA-N -1 1 285.365 3.305 20 0 CGADMM Cc1cc(N(C)C)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000093970926 345893583 /nfs/dbraw/zinc/89/35/83/345893583.db2.gz WELHQQPUWURCFN-UHFFFAOYSA-N -1 1 288.322 3.158 20 0 CGADMM O=C(NCCCC1CC1)c1ccc2ccccc2c1[O-] ZINC000134796854 346084328 /nfs/dbraw/zinc/08/43/28/346084328.db2.gz DGYXQNPMZBTTCC-UHFFFAOYSA-N -1 1 269.344 3.465 20 0 CGADMM O=C([O-])[C@H](NCc1ccc(Cl)cc1)c1ccccc1F ZINC000211392493 346286237 /nfs/dbraw/zinc/28/62/37/346286237.db2.gz SXOJAZVXDQDXLX-CQSZACIVSA-N -1 1 293.725 3.395 20 0 CGADMM O=C([O-])[C@@H]1CC12CCN(Cc1cccc(Cl)c1F)CC2 ZINC000405367227 346603094 /nfs/dbraw/zinc/60/30/94/346603094.db2.gz LBZLHWZKWYMBBC-NSHDSACASA-N -1 1 297.757 3.166 20 0 CGADMM CCCCc1cc(=O)n(-c2ccc(C)c(C(=O)OC)c2)[n-]1 ZINC000601949850 347928429 /nfs/dbraw/zinc/92/84/29/347928429.db2.gz KOUOXPGTTAKUEF-UHFFFAOYSA-N -1 1 288.347 3.065 20 0 CGADMM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)C(C)(C)C)[nH][n-]2)s1 ZINC000604601369 348126204 /nfs/dbraw/zinc/12/62/04/348126204.db2.gz GVVYQMJOEPNANO-SNVBAGLBSA-N -1 1 291.420 3.489 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1nccc2ccccc21 ZINC000605438024 348156041 /nfs/dbraw/zinc/15/60/41/348156041.db2.gz CARFZZHXNJCBPR-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613890790 348638941 /nfs/dbraw/zinc/63/89/41/348638941.db2.gz KTRAUUFGMPACDI-FRRDWIJNSA-N -1 1 298.386 3.447 20 0 CGADMM Cc1nc(SCc2ncc(Cl)s2)[n-]c(=O)c1C ZINC000358790266 233196588 /nfs/dbraw/zinc/19/65/88/233196588.db2.gz KAWLGLRCHLKLBN-UHFFFAOYSA-N -1 1 287.797 3.201 20 0 CGADMM O=C(Nc1ccc2c(Cl)cccc2n1)c1cncc([O-])c1 ZINC000359216834 233279806 /nfs/dbraw/zinc/27/98/06/233279806.db2.gz DODSXQPVLLJCIA-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM Cc1cc(Br)c([O-])c(NC(=O)C23CC(C2)C3)c1 ZINC000626382528 350300498 /nfs/dbraw/zinc/30/04/98/350300498.db2.gz FQPFFFBWPLFYLD-UHFFFAOYSA-N -1 1 296.164 3.202 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000628960121 350625399 /nfs/dbraw/zinc/62/53/99/350625399.db2.gz VXQRWRGDCGMSHU-YUMQZZPRSA-N -1 1 291.244 3.448 20 0 CGADMM O=C(CC1CCSCC1)Nc1cccc(F)c1[O-] ZINC000628960666 350626229 /nfs/dbraw/zinc/62/62/29/350626229.db2.gz QANAVDHDEFPMDE-UHFFFAOYSA-N -1 1 269.341 3.003 20 0 CGADMM CC(=O)[C@@H](C)CCCCC(=O)Nc1cccc(F)c1[O-] ZINC000628960201 350626391 /nfs/dbraw/zinc/62/63/91/350626391.db2.gz APMFGOGJSFDHML-JTQLQIEISA-N -1 1 281.327 3.255 20 0 CGADMM CC1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCCC1 ZINC000629377182 350684059 /nfs/dbraw/zinc/68/40/59/350684059.db2.gz LTTDQLWKDNPIQO-UHFFFAOYSA-N -1 1 285.347 3.097 20 0 CGADMM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629379666 350685271 /nfs/dbraw/zinc/68/52/71/350685271.db2.gz HAPVEINRXSLRNR-SJCJKPOMSA-N -1 1 299.374 3.343 20 0 CGADMM C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380097 350685751 /nfs/dbraw/zinc/68/57/51/350685751.db2.gz KEWOKOXNEVGTDE-IUODEOHRSA-N -1 1 299.374 3.343 20 0 CGADMM C/C=C/C[C@H]1CCCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000629871403 350779973 /nfs/dbraw/zinc/77/99/73/350779973.db2.gz JXAGAJWJIVRIKI-JDGPPOGSSA-N -1 1 277.339 3.350 20 0 CGADMM Cc1nc(SC[C@H]2CCO[C@@H](C)C2)[n-]c(=O)c1C1CC1 ZINC000631022878 350926963 /nfs/dbraw/zinc/92/69/63/350926963.db2.gz BWUALNWUNQFQAQ-ONGXEEELSA-N -1 1 294.420 3.275 20 0 CGADMM CC[C@H](C)C(=O)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631023075 350927024 /nfs/dbraw/zinc/92/70/24/350927024.db2.gz GTENIOSAURKAHW-QMMMGPOBSA-N -1 1 280.393 3.075 20 0 CGADMM CC(C)[C@H](C)N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630689878 350871090 /nfs/dbraw/zinc/87/10/90/350871090.db2.gz JYWMSXGZMXZIMA-JTQLQIEISA-N -1 1 269.772 3.091 20 0 CGADMM COC1(c2noc(Cc3ccc([O-])c(Cl)c3)n2)CCC1 ZINC000632094152 351167163 /nfs/dbraw/zinc/16/71/63/351167163.db2.gz OKNMVLGUBCIEDI-UHFFFAOYSA-N -1 1 294.738 3.045 20 0 CGADMM [O-]c1ccc(Cc2nc(CC3CCC3)no2)cc1Cl ZINC000632137620 351171223 /nfs/dbraw/zinc/17/12/23/351171223.db2.gz FEUNWGMCOJLEJS-UHFFFAOYSA-N -1 1 278.739 3.362 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N(CC1CC1)C1CCC1 ZINC000632821624 351220245 /nfs/dbraw/zinc/22/02/45/351220245.db2.gz RAUACYOIXBNSOR-UHFFFAOYSA-N -1 1 293.794 3.379 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@H](C2CCC2)C1 ZINC000633442015 351304572 /nfs/dbraw/zinc/30/45/72/351304572.db2.gz LQCHXKYMKYPRKQ-ZDUSSCGKSA-N -1 1 293.794 3.237 20 0 CGADMM C[C@]1(CNC(=O)Cc2ccc([O-])c(Cl)c2)C[C@H]2C[C@H]2C1 ZINC000633693052 351346613 /nfs/dbraw/zinc/34/66/13/351346613.db2.gz RREXORVRCGOVKY-ATCWAGBWSA-N -1 1 293.794 3.141 20 0 CGADMM CCCc1c(C)[n-]n(CCCc2ccccc2)c1=O ZINC000634603231 351537537 /nfs/dbraw/zinc/53/75/37/351537537.db2.gz SSWGSMLYJDLLIP-OAHLLOKOSA-N -1 1 258.365 3.254 20 0 CGADMM CCc1[n-]n(-c2cccc(C(F)(F)F)n2)c(=O)c1C(C)C ZINC000634612356 351542226 /nfs/dbraw/zinc/54/22/26/351542226.db2.gz WMMSZSQXEKXLRC-LBPRGKRZSA-N -1 1 299.296 3.485 20 0 CGADMM CCc1c(=O)n(-c2cc(F)cc(OC)c2)[n-]c1C(C)C ZINC000634618635 351547066 /nfs/dbraw/zinc/54/70/66/351547066.db2.gz YTVVMZJMAZHQGR-CYBMUJFWSA-N -1 1 278.327 3.219 20 0 CGADMM CC1(C)C[C@H](n2[n-]c3c(c2=O)CCCCCC3)CCO1 ZINC000634621402 351547856 /nfs/dbraw/zinc/54/78/56/351547856.db2.gz GUYMNLCAHSRITG-CHWSQXEVSA-N -1 1 278.396 3.113 20 0 CGADMM CCCC[C@H](C)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000291947863 198114385 /nfs/dbraw/zinc/11/43/85/198114385.db2.gz FAQCGSGGWXWISN-JTQLQIEISA-N -1 1 253.317 3.182 20 0 CGADMM Cc1cc(NC(=O)c2cncc([O-])c2)c2cccnc2c1C ZINC000339895693 215387043 /nfs/dbraw/zinc/38/70/43/215387043.db2.gz JTGSEOJFWDAKSI-UHFFFAOYSA-N -1 1 293.326 3.205 20 0 CGADMM CCOc1cc(C(=O)N2CC=C(C)CC2)cc(Cl)c1[O-] ZINC000336474347 213344208 /nfs/dbraw/zinc/34/42/08/213344208.db2.gz FTGHRLKABDQWFE-UHFFFAOYSA-N -1 1 295.766 3.237 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CC(F)(F)C1 ZINC000336380995 213236371 /nfs/dbraw/zinc/23/63/71/213236371.db2.gz IXEJJFIXNMLCRV-UHFFFAOYSA-N -1 1 261.655 3.029 20 0 CGADMM [O-]c1cccc(CN2CC(CC(F)F)C2)c1Cl ZINC000425367363 236238938 /nfs/dbraw/zinc/23/89/38/236238938.db2.gz SRGOGOWNDJMGKD-UHFFFAOYSA-N -1 1 261.699 3.133 20 0 CGADMM Cc1cnc(C(=O)N(C)[C@@H](C)c2ccccc2C)c([O-])c1 ZINC000426445060 236295507 /nfs/dbraw/zinc/29/55/07/236295507.db2.gz XSKSBWXBCGMAFG-ZDUSSCGKSA-N -1 1 284.359 3.237 20 0 CGADMM Cc1ccc([C@H](CC(=O)[O-])NCc2sccc2C)o1 ZINC000426783203 236313607 /nfs/dbraw/zinc/31/36/07/236313607.db2.gz JYFOPYNDWAYEAW-NSHDSACASA-N -1 1 279.361 3.264 20 0 CGADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(C)s2)o1 ZINC000426796466 236315813 /nfs/dbraw/zinc/31/58/13/236315813.db2.gz AVTZNWVUDFAEAG-LBPRGKRZSA-N -1 1 279.361 3.264 20 0 CGADMM O=C([O-])[C@H](NCc1ccc(F)cc1Cl)c1ccsc1 ZINC000426817829 236316744 /nfs/dbraw/zinc/31/67/44/236316744.db2.gz QHIHGBZSIZEGBY-GFCCVEGCSA-N -1 1 299.754 3.456 20 0 CGADMM C[C@H]1CN(Cc2cccc([O-])c2Cl)C[C@@H](C2CC2)O1 ZINC000294804431 199191444 /nfs/dbraw/zinc/19/14/44/199191444.db2.gz WDTMUQQKZDGNHL-HZMBPMFUSA-N -1 1 281.783 3.045 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCc2cc(Cl)ccc21 ZINC000436552798 237128367 /nfs/dbraw/zinc/12/83/67/237128367.db2.gz CYIOXMBLRWFQIE-UHFFFAOYSA-N -1 1 291.709 3.388 20 0 CGADMM O=C(Nc1cccnc1N1CCCCC1)c1ccccc1[O-] ZINC000436807820 237185103 /nfs/dbraw/zinc/18/51/03/237185103.db2.gz MSYSSBHBEFIKJA-UHFFFAOYSA-N -1 1 297.358 3.030 20 0 CGADMM Cc1cc(C)c2c(c1)CN(C(=O)c1ccc([O-])cc1F)CC2 ZINC000436678255 237157588 /nfs/dbraw/zinc/15/75/88/237157588.db2.gz GSVOBWGOVGWKTE-UHFFFAOYSA-N -1 1 299.345 3.347 20 0 CGADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(F)c(F)c1 ZINC000436756715 237172920 /nfs/dbraw/zinc/17/29/20/237172920.db2.gz DHRFNBFDXHOTRI-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM O=C(NC[C@H]1CCC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000436898437 237204520 /nfs/dbraw/zinc/20/45/20/237204520.db2.gz AVRDOFHMNYPZPA-QMMMGPOBSA-N -1 1 289.709 3.211 20 0 CGADMM Cc1nc(-c2ccc(NCCC3CCC3)nc2)[n-]c(=O)c1C ZINC000301557433 201066895 /nfs/dbraw/zinc/06/68/95/201066895.db2.gz JCJAQAOEKXTNKL-UHFFFAOYSA-N -1 1 298.390 3.463 20 0 CGADMM CC1([N-]S(=O)(=O)c2sccc2Cl)CCCC1 ZINC000451115498 240222238 /nfs/dbraw/zinc/22/22/38/240222238.db2.gz NGKBUOBLDVFJIW-UHFFFAOYSA-N -1 1 279.814 3.013 20 0 CGADMM CCc1cc(=O)[n-]c(SC/C=C/c2ccccc2)n1 ZINC000013115380 368643699 /nfs/dbraw/zinc/64/36/99/368643699.db2.gz KHENRKMKUYDQMM-RMKNXTFCSA-N -1 1 272.373 3.138 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(C)c(F)c2)c([O-])c1 ZINC000019839981 368771197 /nfs/dbraw/zinc/77/11/97/368771197.db2.gz UTDHSYIBXWXRCG-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM C[C@H]1CCC[C@H](NC(=O)c2cc(Cl)ccc2[O-])C1 ZINC000030016567 368901003 /nfs/dbraw/zinc/90/10/03/368901003.db2.gz WHUZVSGDUKKJNX-ONGXEEELSA-N -1 1 267.756 3.354 20 0 CGADMM CN(Cc1ccsc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000035123756 368998579 /nfs/dbraw/zinc/99/85/79/368998579.db2.gz HJOIJJNJQGSMPH-UHFFFAOYSA-N -1 1 281.764 3.379 20 0 CGADMM C[C@@H](Cc1cccs1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000070140846 369781939 /nfs/dbraw/zinc/78/19/39/369781939.db2.gz DFWRZWKZMNKOFI-VIFPVBQESA-N -1 1 295.791 3.468 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H](Cc2ccccc2)C1 ZINC000080030293 369981742 /nfs/dbraw/zinc/98/17/42/369981742.db2.gz DTOCXRIPPDOLOT-CQSZACIVSA-N -1 1 299.345 3.236 20 0 CGADMM CSc1ccc([C@H](C)NC(=O)c2cncc([O-])c2)cc1 ZINC000111776276 370407827 /nfs/dbraw/zinc/40/78/27/370407827.db2.gz STRUASOOHIICIN-JTQLQIEISA-N -1 1 288.372 3.000 20 0 CGADMM COc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C)c([O-])c1 ZINC000020260111 541855419 /nfs/dbraw/zinc/85/54/19/541855419.db2.gz XWNRTWTZHZSQKQ-LBPRGKRZSA-N -1 1 297.354 3.382 20 0 CGADMM COC[C@]1(C)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000294109764 372584660 /nfs/dbraw/zinc/58/46/60/372584660.db2.gz CRTATDTWWUUSHE-GOSISDBHSA-N -1 1 299.370 3.044 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc2ccccc2n1 ZINC000179013187 373827968 /nfs/dbraw/zinc/82/79/68/373827968.db2.gz QBCUGXDCQOSMHY-UHFFFAOYSA-N -1 1 299.717 3.241 20 0 CGADMM CC(=O)c1[n-]c(=NCc2ccc(Cl)s2)sc1C ZINC000450246781 374018614 /nfs/dbraw/zinc/01/86/14/374018614.db2.gz LTJIVJNANYBYBQ-UHFFFAOYSA-N -1 1 286.809 3.403 20 0 CGADMM C[C@H]1CCCC[C@]1(C)NC(=O)c1ccc([O-])cc1F ZINC000308733487 374178274 /nfs/dbraw/zinc/17/82/74/374178274.db2.gz WLOXNMGQUQRDBZ-BONVTDFDSA-N -1 1 265.328 3.230 20 0 CGADMM COc1cc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000334141645 206054548 /nfs/dbraw/zinc/05/45/48/206054548.db2.gz INYDNCAYMGMLFY-MWLCHTKSSA-N -1 1 297.782 3.315 20 0 CGADMM O=C([O-])C[C@@H]1CCCCN1Cc1ccc(Cl)c(F)c1 ZINC000086775322 541940273 /nfs/dbraw/zinc/94/02/73/541940273.db2.gz KFUSIZLOECEAMA-NSHDSACASA-N -1 1 285.746 3.308 20 0 CGADMM CC[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000334091422 374647315 /nfs/dbraw/zinc/64/73/15/374647315.db2.gz UPBDRFZTFWHVFM-CABZTGNLSA-N -1 1 297.782 3.363 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC2(C1)CCCCC2 ZINC000181238429 296222035 /nfs/dbraw/zinc/22/20/35/296222035.db2.gz QHAKGYKLZIJNND-UHFFFAOYSA-N -1 1 277.339 3.328 20 0 CGADMM CC(C)C[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464221977 374867236 /nfs/dbraw/zinc/86/72/36/374867236.db2.gz DBFUEAQDXHYLQA-VIFPVBQESA-N -1 1 293.791 3.192 20 0 CGADMM CCOc1cc(C(=O)NC(C)(C)CC)cc(Cl)c1[O-] ZINC000186446523 374852057 /nfs/dbraw/zinc/85/20/57/374852057.db2.gz QXAWVMUKZTXKQT-UHFFFAOYSA-N -1 1 285.771 3.363 20 0 CGADMM CCOc1cc(C(=O)N[C@H](C)CC2CC2)cc(Cl)c1[O-] ZINC000186809016 374921704 /nfs/dbraw/zinc/92/17/04/374921704.db2.gz UJANAKUPJUJSOZ-SECBINFHSA-N -1 1 297.782 3.363 20 0 CGADMM C[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)[C@H]1C(=O)[O-] ZINC000334648124 374941224 /nfs/dbraw/zinc/94/12/24/374941224.db2.gz QJGCAGWBYNDPBG-XHDPSFHLSA-N -1 1 273.332 3.118 20 0 CGADMM Cc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000334710613 374994584 /nfs/dbraw/zinc/99/45/84/374994584.db2.gz WHEJDALSPVWKJE-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM C[C@@H]1CCCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000187104802 374971995 /nfs/dbraw/zinc/97/19/95/374971995.db2.gz UJRVATVGCWRVRL-SNVBAGLBSA-N -1 1 267.756 3.308 20 0 CGADMM CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335018846 375073727 /nfs/dbraw/zinc/07/37/27/375073727.db2.gz SXQLIKFLEDUTCK-FUXBKTLASA-N -1 1 255.264 3.045 20 0 CGADMM CC(C)(C)c1csc(CN2CCCC[C@@H]2CC(=O)[O-])n1 ZINC000094969290 541991177 /nfs/dbraw/zinc/99/11/77/541991177.db2.gz KZCPZHSFLMZQHQ-LLVKDONJSA-N -1 1 296.436 3.270 20 0 CGADMM CCc1ccc(C(=O)N(CC)c2nc(C)cs2)c([O-])c1 ZINC000187854091 375108278 /nfs/dbraw/zinc/10/82/78/375108278.db2.gz RRRYTMFLKNGFQE-UHFFFAOYSA-N -1 1 290.388 3.386 20 0 CGADMM COC(=O)c1c[n-]c(S[C@H](C)c2ccccc2)n1 ZINC000187583423 375048120 /nfs/dbraw/zinc/04/81/20/375048120.db2.gz VLMRGLNZRYVHFU-SECBINFHSA-N -1 1 262.334 3.050 20 0 CGADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335214678 375234823 /nfs/dbraw/zinc/23/48/23/375234823.db2.gz HAJWTONLUDIVLY-BDAKNGLRSA-N -1 1 269.291 3.435 20 0 CGADMM C[C@H]1CC(C)(C)CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000335196758 375218730 /nfs/dbraw/zinc/21/87/30/375218730.db2.gz NAPNDZKUFBYHKX-VIFPVBQESA-N -1 1 277.393 3.017 20 0 CGADMM C[C@H]1CCN(Cc2ccc(F)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000335445801 375299948 /nfs/dbraw/zinc/29/99/48/375299948.db2.gz ZHWZDKPPXGEPJY-ONGXEEELSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])cc2F)CC1 ZINC000189460415 375391982 /nfs/dbraw/zinc/39/19/82/375391982.db2.gz JODIIJQNKCJXKJ-WDEREUQCSA-N -1 1 265.328 3.230 20 0 CGADMM CCOc1cc(C(=O)N2[C@H](C)C[C@H]2C)cc(Cl)c1[O-] ZINC000335839796 375473384 /nfs/dbraw/zinc/47/33/84/375473384.db2.gz FFGPGLQJMWHFMU-RKDXNWHRSA-N -1 1 283.755 3.067 20 0 CGADMM C[C@H]1[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1(F)F ZINC000336157071 375734349 /nfs/dbraw/zinc/73/43/49/375734349.db2.gz ZXFMGPPSKMPORX-SSDLBLMSSA-N -1 1 286.665 3.464 20 0 CGADMM CCc1ccc(CNC(=O)c2cc(F)ccc2[O-])s1 ZINC000223860363 376264548 /nfs/dbraw/zinc/26/45/48/376264548.db2.gz WMIIIYMLHHTHBQ-UHFFFAOYSA-N -1 1 279.336 3.085 20 0 CGADMM CCN(C(=O)c1ccc([O-])cc1F)C1CCCCC1 ZINC000226426849 376358445 /nfs/dbraw/zinc/35/84/45/376358445.db2.gz YYIUTMGMDQDWBQ-UHFFFAOYSA-N -1 1 265.328 3.326 20 0 CGADMM CC(C)CCN(CCC(C)C)C(=O)c1ncccc1[O-] ZINC000231141659 376556288 /nfs/dbraw/zinc/55/62/88/376556288.db2.gz BMSTUAIQMUTSGZ-UHFFFAOYSA-N -1 1 278.396 3.322 20 0 CGADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])cc2F)[C@H]1C ZINC000246095229 376967458 /nfs/dbraw/zinc/96/74/58/376967458.db2.gz KGAQDQZSNSZJIP-ISTVAULSSA-N -1 1 265.328 3.086 20 0 CGADMM CSc1n[nH]c(NC(=O)C[C@H](C)C2CCCCC2)n1 ZINC000340270035 376970259 /nfs/dbraw/zinc/97/02/59/376970259.db2.gz ZGXXJFUXFRGPEF-VIFPVBQESA-N -1 1 282.413 3.072 20 0 CGADMM CCOc1ccc(F)c([N-]C(=O)c2ncoc2CC)c1F ZINC000340423106 377049366 /nfs/dbraw/zinc/04/93/66/377049366.db2.gz CFZIKNGCYOLSQI-UHFFFAOYSA-N -1 1 296.273 3.166 20 0 CGADMM COc1ccc(CCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340329691 377005220 /nfs/dbraw/zinc/00/52/20/377005220.db2.gz 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/nfs/dbraw/zinc/88/00/71/377880071.db2.gz CNQLTWLWLUHDTC-UHFFFAOYSA-N -1 1 273.336 3.157 20 0 CGADMM Cc1csc([C@H]2CCCC[N@H+]2CCCCC(=O)[O-])n1 ZINC000262253503 377892453 /nfs/dbraw/zinc/89/24/53/377892453.db2.gz QBTLEJLIJCOQBC-GFCCVEGCSA-N -1 1 282.409 3.233 20 0 CGADMM Cc1csc([C@H]2CCCCN2CCCCC(=O)[O-])n1 ZINC000262253503 377892457 /nfs/dbraw/zinc/89/24/57/377892457.db2.gz QBTLEJLIJCOQBC-GFCCVEGCSA-N -1 1 282.409 3.233 20 0 CGADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ncc(C(C)(C)C)s1 ZINC000263375151 377929600 /nfs/dbraw/zinc/92/96/00/377929600.db2.gz WLCCAEYVBHVZFF-GHMZBOCLSA-N -1 1 296.436 3.126 20 0 CGADMM Cc1ccc(-c2ccc(CN(C)[C@@H](C)C(=O)[O-])o2)cc1 ZINC000263427016 377935385 /nfs/dbraw/zinc/93/53/85/377935385.db2.gz QYAFBGNIUBHSTO-LBPRGKRZSA-N -1 1 273.332 3.160 20 0 CGADMM CCSc1nnc([N-]C(=O)c2cc(C(C)C)on2)s1 ZINC000343235135 377936539 /nfs/dbraw/zinc/93/65/39/377936539.db2.gz UQKVMUVDMALARN-UHFFFAOYSA-N -1 1 298.393 3.014 20 0 CGADMM Cc1cc(F)c(CN2CCC[C@H](C(=O)[O-])C2)c(Cl)c1 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CC(C)n1cnc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000350614672 379576372 /nfs/dbraw/zinc/57/63/72/379576372.db2.gz WFCGXZJUTRINCD-UHFFFAOYSA-N -1 1 288.282 3.026 20 0 CGADMM O=c1[n-]c(-c2nc3ccccc3o2)nc2ccccc21 ZINC000352207183 379754942 /nfs/dbraw/zinc/75/49/42/379754942.db2.gz UWCDFOKRIUUWQO-UHFFFAOYSA-N -1 1 263.256 3.144 20 0 CGADMM O=C(Nc1ccc(C2CC2)cc1)c1cc(C(F)F)n[nH]1 ZINC000640059825 379703399 /nfs/dbraw/zinc/70/33/99/379703399.db2.gz PUCMRKZTFOFAKJ-UHFFFAOYSA-N -1 1 277.274 3.477 20 0 CGADMM O=C(N=c1[n-]sc2ccccc21)N1CCC[C@H]1C1CC1 ZINC000640340370 379771229 /nfs/dbraw/zinc/77/12/29/379771229.db2.gz GZPRIGAZENTMNQ-LBPRGKRZSA-N -1 1 287.388 3.125 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403705411 379976263 /nfs/dbraw/zinc/97/62/63/379976263.db2.gz VTYOHSYEOPPOAO-OPRDCNLKSA-N -1 1 265.740 3.420 20 0 CGADMM C[C@H]1CCN(C(=O)c2ncccc2[O-])CC12CCCCC2 ZINC000408242685 380002202 /nfs/dbraw/zinc/00/22/02/380002202.db2.gz XDDZBGLJLLKWJC-ZDUSSCGKSA-N -1 1 288.391 3.220 20 0 CGADMM CN(C(=O)c1ncccc1[O-])C1CCC(C(C)(C)C)CC1 ZINC000408367294 380007298 /nfs/dbraw/zinc/00/72/98/380007298.db2.gz UTTQEDOBYAOZPT-UHFFFAOYSA-N -1 1 290.407 3.464 20 0 CGADMM CCC1CCC(N(C)C(=O)c2ncc(C)cc2[O-])CC1 ZINC000408367493 380007879 /nfs/dbraw/zinc/00/78/79/380007879.db2.gz WKJGVGGREZZULB-UHFFFAOYSA-N -1 1 276.380 3.136 20 0 CGADMM CC[C@H](C)[C@@H](NC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000408514863 380013786 /nfs/dbraw/zinc/01/37/86/380013786.db2.gz SYYQMNPQVFPJON-WRWORJQWSA-N -1 1 293.260 3.238 20 0 CGADMM CCc1ccc(-c2ccc(CN(C)[C@@H](C)C(=O)[O-])o2)cc1 ZINC000414687902 380375210 /nfs/dbraw/zinc/37/52/10/380375210.db2.gz XYBHIQCIVCSPTM-LBPRGKRZSA-N -1 1 287.359 3.414 20 0 CGADMM O=C(NCc1ccc(Cl)o1)c1ccc(Cl)cc1[O-] ZINC000644516634 380438827 /nfs/dbraw/zinc/43/88/27/380438827.db2.gz UDFGDIOANHXHIR-UHFFFAOYSA-N -1 1 286.114 3.222 20 0 CGADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCCCCC(=O)C1 ZINC000644046388 380410917 /nfs/dbraw/zinc/41/09/17/380410917.db2.gz BSBSMBOBHARIJU-SNVBAGLBSA-N -1 1 279.311 3.009 20 0 CGADMM O=C([O-])c1coc(CNCc2ccc3c(c2)CCCC3)c1 ZINC000417550135 380635137 /nfs/dbraw/zinc/63/51/37/380635137.db2.gz UOBDYCHTAVKKKS-UHFFFAOYSA-N -1 1 285.343 3.146 20 0 CGADMM CC(C)C1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000289341769 197304032 /nfs/dbraw/zinc/30/40/32/197304032.db2.gz HXWKFIMWXYESJM-UHFFFAOYSA-N -1 1 283.318 3.179 20 0 CGADMM CC(C)C[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000281035506 195077523 /nfs/dbraw/zinc/07/75/23/195077523.db2.gz VTTFYHOYBYWODD-SNVBAGLBSA-N -1 1 283.318 3.179 20 0 CGADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(F)cc2[O-])C1 ZINC000281082056 195096227 /nfs/dbraw/zinc/09/62/27/195096227.db2.gz FFAOTFKTMVUVHZ-PWSUYJOCSA-N -1 1 281.327 3.065 20 0 CGADMM CCC[C@@H](C)[C@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000288110691 197005602 /nfs/dbraw/zinc/00/56/02/197005602.db2.gz IZYFGMLTWMVZJA-IUODEOHRSA-N -1 1 289.375 3.002 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000335943369 542473063 /nfs/dbraw/zinc/47/30/63/542473063.db2.gz OCYVAGNUQHPLHD-SFYZADRCSA-N -1 1 291.244 3.448 20 0 CGADMM CCCc1nc(-c2nc3cccc(C)c3c(=O)[n-]2)co1 ZINC000345176503 542505835 /nfs/dbraw/zinc/50/58/35/542505835.db2.gz COYWLNIVQLRRNB-UHFFFAOYSA-N -1 1 269.304 3.251 20 0 CGADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccccn1 ZINC000192718245 533281371 /nfs/dbraw/zinc/28/13/71/533281371.db2.gz VYNKJWZQGVRHQX-GFCCVEGCSA-N -1 1 292.338 3.431 20 0 CGADMM CC(=O)CC(C)(C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000191931468 130332035 /nfs/dbraw/zinc/33/20/35/130332035.db2.gz WJJVRZLAWYNPNH-UHFFFAOYSA-N -1 1 283.755 3.380 20 0 CGADMM C[C@@H]1CCCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000070410752 392182331 /nfs/dbraw/zinc/18/23/31/392182331.db2.gz PSRMSCSJKLLWIE-SNVBAGLBSA-N -1 1 267.756 3.450 20 0 CGADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(F)(F)C1 ZINC000313329633 392665490 /nfs/dbraw/zinc/66/54/90/392665490.db2.gz XNNUXACWUKLQKR-UHFFFAOYSA-N -1 1 277.270 3.027 20 0 CGADMM Cc1ccc(O)c(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)n1 ZINC000372690440 392627147 /nfs/dbraw/zinc/62/71/47/392627147.db2.gz HOLIYEAIXAVUAA-BLLLJJGKSA-N -1 1 283.375 3.074 20 0 CGADMM COCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCC1 ZINC000457649572 392718548 /nfs/dbraw/zinc/71/85/48/392718548.db2.gz CUTJUBZGQDMAMD-UHFFFAOYSA-N -1 1 283.755 3.191 20 0 CGADMM CCc1nc2cc(NC(=O)c3ccccc3[O-])ccc2o1 ZINC000194255407 392909525 /nfs/dbraw/zinc/90/95/25/392909525.db2.gz IGIRMLAQTFCWSY-UHFFFAOYSA-N -1 1 282.299 3.348 20 0 CGADMM CCOCC(C)(C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000393594559 392935438 /nfs/dbraw/zinc/93/54/38/392935438.db2.gz CNOBXBUOVSZAEI-UHFFFAOYSA-N -1 1 287.359 3.090 20 0 CGADMM COCC1(CCNC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000648484592 393060047 /nfs/dbraw/zinc/06/00/47/393060047.db2.gz QOLZFLOYLAGOBG-UHFFFAOYSA-N -1 1 299.370 3.092 20 0 CGADMM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(F)cc1[O-] ZINC000467993487 393116214 /nfs/dbraw/zinc/11/62/14/393116214.db2.gz INHOBRIAHCFVII-NHYWBVRUSA-N -1 1 295.354 3.455 20 0 CGADMM CC[C@H]1CC[C@H](NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000647090244 393338323 /nfs/dbraw/zinc/33/83/23/393338323.db2.gz JBUCYBFVAGMBGR-UMSPYCQHSA-N -1 1 265.328 3.230 20 0 CGADMM O=c1cc(C(F)F)nc(SCCC[C@H]2CCOC2)[n-]1 ZINC000647121863 393343712 /nfs/dbraw/zinc/34/37/12/393343712.db2.gz OJLPVBAOKPLHEI-QMMMGPOBSA-N -1 1 290.335 3.029 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCCC[C@H]1C1CCC1 ZINC000649196465 393369826 /nfs/dbraw/zinc/36/98/26/393369826.db2.gz NGRLYQXUJRJBBO-AWEZNQCLSA-N -1 1 277.339 3.326 20 0 CGADMM C[C@@H](c1ccc(C(C)(C)C)cc1)N(C)Cc1n[n-]c(=O)o1 ZINC000660841792 542796753 /nfs/dbraw/zinc/79/67/53/542796753.db2.gz IMIBZIWKBIFJRF-NSHDSACASA-N -1 1 289.379 3.266 20 0 CGADMM [O-]c1ccc(-c2noc(/C=C\c3ccco3)n2)c(F)c1 ZINC000445455750 393796250 /nfs/dbraw/zinc/79/62/50/393796250.db2.gz QQOSHSCALAEUMS-XQRVVYSFSA-N -1 1 272.235 3.345 20 0 CGADMM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(F)cc1[O-] ZINC000450141109 393984922 /nfs/dbraw/zinc/98/49/22/393984922.db2.gz HYOFJAMYWFAUHP-SSDOTTSWSA-N -1 1 279.233 3.448 20 0 CGADMM CN(C(=O)c1ccc([O-])cc1F)c1cccc2cccnc21 ZINC000670381426 543152620 /nfs/dbraw/zinc/15/26/20/543152620.db2.gz USWRKHBXZKVRGI-UHFFFAOYSA-N -1 1 296.301 3.356 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCc2cc(Cl)ccc21 ZINC000672162297 543201783 /nfs/dbraw/zinc/20/17/83/543201783.db2.gz QPQZQGHQTORDCE-UHFFFAOYSA-N -1 1 291.709 3.388 20 0 CGADMM CCc1c(C)[n-]n(-c2ccc(Br)cc2)c1=O ZINC000102917698 397647717 /nfs/dbraw/zinc/64/77/17/397647717.db2.gz KEPPACKLTRHIQV-NSHDSACASA-N -1 1 281.153 3.198 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2C)c1 ZINC000047367573 397632389 /nfs/dbraw/zinc/63/23/89/397632389.db2.gz YIGHGHJDFQXVSL-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(F)ccc1OC ZINC000650193456 397799882 /nfs/dbraw/zinc/79/98/82/397799882.db2.gz YHBQOXSCVXIIMY-NSHDSACASA-N -1 1 289.372 3.155 20 0 CGADMM CCc1ccncc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000650492653 397858168 /nfs/dbraw/zinc/85/81/68/397858168.db2.gz UPMALGXPVZQGOR-UHFFFAOYSA-N -1 1 290.388 3.062 20 0 CGADMM CC[C@H]1CCC[C@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000650718798 397901611 /nfs/dbraw/zinc/90/16/11/397901611.db2.gz ZSKWXHYHHMOHMC-JQWIXIFHSA-N -1 1 265.328 3.087 20 0 CGADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc2cc(F)ccc2o1 ZINC000650795342 397921120 /nfs/dbraw/zinc/92/11/20/397921120.db2.gz WQJSRXBIQZJFEF-NOZJJQNGSA-N -1 1 277.295 3.009 20 0 CGADMM CCCC(O)(CCC)CC(=O)Nc1c([O-])cccc1F ZINC000674902759 543304079 /nfs/dbraw/zinc/30/40/79/543304079.db2.gz MVKZBDTZYUMOSS-UHFFFAOYSA-N -1 1 283.343 3.191 20 0 CGADMM C[C@@H](C[C@H]1CCOC1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000675415815 543338201 /nfs/dbraw/zinc/33/82/01/543338201.db2.gz KLDVKZYBMIMOLL-QWHCGFSZSA-N -1 1 299.370 3.090 20 0 CGADMM C[C@H](CC1CC1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000070104955 286985762 /nfs/dbraw/zinc/98/57/62/286985762.db2.gz KVOUGNDYGBRLIP-LLVKDONJSA-N -1 1 269.344 3.464 20 0 CGADMM Cc1ccc(CN(C)C(=O)c2cc(F)ccc2[O-])s1 ZINC000080023766 287062652 /nfs/dbraw/zinc/06/26/52/287062652.db2.gz CUVOWKGOUMXTCD-UHFFFAOYSA-N -1 1 279.336 3.173 20 0 CGADMM CC(C)[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080028284 287062660 /nfs/dbraw/zinc/06/26/60/287062660.db2.gz CZESRCMBFFCUSZ-LBPRGKRZSA-N -1 1 279.355 3.430 20 0 CGADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H]1C ZINC000091439023 165264181 /nfs/dbraw/zinc/26/41/81/165264181.db2.gz SEYCNQFSJWEECS-TXEJJXNPSA-N -1 1 269.344 3.273 20 0 CGADMM CCc1cc(NC(=O)c2cc3ccccc3cc2[O-])n(C)n1 ZINC000116081423 287155829 /nfs/dbraw/zinc/15/58/29/287155829.db2.gz UIIHTDQQAMVVJM-UHFFFAOYSA-N -1 1 295.342 3.094 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])cc2F)C[C@@H]1C ZINC000120137893 287178277 /nfs/dbraw/zinc/17/82/77/287178277.db2.gz BDTKZMOYZWOHGR-OUAUKWLOSA-N -1 1 265.328 3.086 20 0 CGADMM Cc1ccc(C[C@H](C)NC(=O)c2cc(F)ccc2[O-])s1 ZINC000124062244 287229044 /nfs/dbraw/zinc/22/90/44/287229044.db2.gz PPGYBKDLHHBIIZ-VIFPVBQESA-N -1 1 293.363 3.262 20 0 CGADMM Cc1ccc(C)c(CSc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000005155240 170071489 /nfs/dbraw/zinc/07/14/89/170071489.db2.gz VDMFXGIOSCOZAR-UHFFFAOYSA-N -1 1 274.389 3.296 20 0 CGADMM CCCCOCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000127041651 287278930 /nfs/dbraw/zinc/27/89/30/287278930.db2.gz WYCWDYPTTFDPDN-UHFFFAOYSA-N -1 1 296.314 3.110 20 0 CGADMM CN(CC(C)(C)C)C(=O)c1cc(Cl)ccc1[O-] ZINC000045089497 175304936 /nfs/dbraw/zinc/30/49/36/175304936.db2.gz OKGXNSFGJLFBLT-UHFFFAOYSA-N -1 1 255.745 3.164 20 0 CGADMM [O-]c1c(F)cc(CN2CCc3ccccc3C2)cc1F ZINC000045245634 175336333 /nfs/dbraw/zinc/33/63/33/175336333.db2.gz BYJLIXRDBVKWIM-UHFFFAOYSA-N -1 1 275.298 3.229 20 0 CGADMM CC(C)(C)[C@H]1CCCN(C(=O)c2cncc([O-])c2)CC1 ZINC000071203175 176078618 /nfs/dbraw/zinc/07/86/18/176078618.db2.gz AYQJKSYTXMBXBR-ZDUSSCGKSA-N -1 1 276.380 3.076 20 0 CGADMM C[C@@H]1CN(Cc2ccc(F)cc2Cl)CC[C@H]1C(=O)[O-] ZINC000311433499 416531905 /nfs/dbraw/zinc/53/19/05/416531905.db2.gz GUHRSKBFDAJJLQ-BXKDBHETSA-N -1 1 285.746 3.022 20 0 CGADMM C=Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000680847509 543739395 /nfs/dbraw/zinc/73/93/95/543739395.db2.gz CHJYWEBQSMYKRV-UHFFFAOYSA-N -1 1 257.264 3.427 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])c(F)c2)[C@H]1C ZINC000681014740 543756458 /nfs/dbraw/zinc/75/64/58/543756458.db2.gz JWHKKNNXNYBLPD-NRUUGDAUSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@H]1CN(C(=O)c2ccc([O-])c(F)c2)c2ccccc21 ZINC000681019502 543757692 /nfs/dbraw/zinc/75/76/92/543757692.db2.gz IMSKANOJBGCRGT-JTQLQIEISA-N -1 1 271.291 3.295 20 0 CGADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc([O-])c(F)c1 ZINC000681020949 543758261 /nfs/dbraw/zinc/75/82/61/543758261.db2.gz NACHPLJSVOLXNG-CQSZACIVSA-N -1 1 289.281 3.088 20 0 CGADMM Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC000681041613 543759620 /nfs/dbraw/zinc/75/96/20/543759620.db2.gz PJYKRMYUTFQXJO-HNNXBMFYSA-N -1 1 285.318 3.257 20 0 CGADMM O=C(N[C@@H]1CSc2ccccc21)c1ccc([O-])c(F)c1 ZINC000681048341 543760540 /nfs/dbraw/zinc/76/05/40/543760540.db2.gz UFYAPJUBBYYIRL-GFCCVEGCSA-N -1 1 289.331 3.108 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc([O-])c(F)c2)[C@@H](C)C1 ZINC000681046481 543760659 /nfs/dbraw/zinc/76/06/59/543760659.db2.gz KOZYNAGPKJNRIN-NRUUGDAUSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1cccc(F)c1F ZINC000131071869 287369957 /nfs/dbraw/zinc/36/99/57/287369957.db2.gz QAYRUGSMYRXBDK-MRVPVSSYSA-N -1 1 295.260 3.301 20 0 CGADMM CCc1ccc(C(=O)N(C)c2ccccc2OC)c([O-])c1 ZINC000682469606 543847896 /nfs/dbraw/zinc/84/78/96/543847896.db2.gz HQOKBKLDHDMKQP-UHFFFAOYSA-N -1 1 285.343 3.240 20 0 CGADMM CCc1ccc(C(=O)Nc2ncc(Cl)s2)c([O-])c1 ZINC000682506722 543849687 /nfs/dbraw/zinc/84/96/87/543849687.db2.gz VWOUOPFBFXBNIU-UHFFFAOYSA-N -1 1 282.752 3.317 20 0 CGADMM O=C(NCc1ccc(C2CC2)cc1)c1ccc([O-])c(F)c1 ZINC000682962715 543882794 /nfs/dbraw/zinc/88/27/94/543882794.db2.gz XVEKVLMVTZUVIA-UHFFFAOYSA-N -1 1 285.318 3.339 20 0 CGADMM Cc1ccccc1CN[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000683172989 543901169 /nfs/dbraw/zinc/90/11/69/543901169.db2.gz IWZNCLMUKRHOKG-HNNXBMFYSA-N -1 1 291.297 3.189 20 0 CGADMM Cc1nc(-c2nc(-c3ccc([O-])cc3F)no2)sc1C ZINC000685365515 544063815 /nfs/dbraw/zinc/06/38/15/544063815.db2.gz NJABFMLPAOXQFF-UHFFFAOYSA-N -1 1 291.307 3.322 20 0 CGADMM O=C(Nc1ccc2ncsc2c1)c1ccccc1[O-] ZINC000192675615 227262697 /nfs/dbraw/zinc/26/26/97/227262697.db2.gz QMZLPDOCGTZTNA-UHFFFAOYSA-N -1 1 270.313 3.254 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000654402318 418971019 /nfs/dbraw/zinc/97/10/19/418971019.db2.gz WSSSMQMZCXDJIX-QWRGUYRKSA-N -1 1 299.292 3.187 20 0 CGADMM Cc1ccc(CN(Cc2ccc(C(=O)[O-])cc2)C2CC2)o1 ZINC000652387606 418959408 /nfs/dbraw/zinc/95/94/08/418959408.db2.gz BNFXDQOFWLNACY-UHFFFAOYSA-N -1 1 285.343 3.451 20 0 CGADMM CO[C@H](c1nc(-c2ccc([O-])cc2F)no1)C1CCC1 ZINC000664850893 419013866 /nfs/dbraw/zinc/01/38/66/419013866.db2.gz XZWODXKBYDSVID-LBPRGKRZSA-N -1 1 278.283 3.069 20 0 CGADMM CCCc1ncc(C(=O)[N-]c2ncccc2SC)s1 ZINC000652877250 418997355 /nfs/dbraw/zinc/99/73/55/418997355.db2.gz RVDOUSJMLRMMKE-UHFFFAOYSA-N -1 1 293.417 3.465 20 0 CGADMM Cc1cc(CN2CCC(c3ccco3)CC2)oc1C(=O)[O-] ZINC000656756424 419209333 /nfs/dbraw/zinc/20/93/33/419209333.db2.gz DWCFSKIXPILKPO-UHFFFAOYSA-N -1 1 289.331 3.259 20 0 CGADMM Cc1ccc(CCC(=O)[O-])c(-c2cc(C(F)(F)F)n[nH]2)c1 ZINC000657202961 419230627 /nfs/dbraw/zinc/23/06/27/419230627.db2.gz FGHLYPUSDOQRGY-UHFFFAOYSA-N -1 1 298.264 3.421 20 0 CGADMM O=C([O-])C1(CNc2ccnc3cc(F)ccc32)CCC1 ZINC000662898516 419504425 /nfs/dbraw/zinc/50/44/25/419504425.db2.gz WWNGKOKGHXELMG-UHFFFAOYSA-N -1 1 274.295 3.041 20 0 CGADMM O=C(Nc1ccccc1Cl)c1ccc(O)cc1[O-] ZINC000192636279 262206598 /nfs/dbraw/zinc/20/65/98/262206598.db2.gz YQOIMBOZPIRBHO-UHFFFAOYSA-N -1 1 263.680 3.004 20 0 CGADMM CO[C@@](C)(CNC(=O)c1ccc2ccccc2c1[O-])C1CC1 ZINC000319478281 262230162 /nfs/dbraw/zinc/23/01/62/262230162.db2.gz AQQKOZBQFZUIQN-SFHVURJKSA-N -1 1 299.370 3.090 20 0 CGADMM Cc1cc(C)cc(-c2nc(=O)c3sccc3[n-]2)c1 ZINC000108463644 270050641 /nfs/dbraw/zinc/05/06/41/270050641.db2.gz WBPOIVCMQQGLRQ-UHFFFAOYSA-N -1 1 256.330 3.268 20 0 CGADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000229426912 270088305 /nfs/dbraw/zinc/08/83/05/270088305.db2.gz AGIZKODKVBABTO-OUAUKWLOSA-N -1 1 265.328 3.038 20 0 CGADMM CC[C@@H](NC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000228842111 270087767 /nfs/dbraw/zinc/08/77/67/270087767.db2.gz RDDNLOUWMKUKCE-CYBMUJFWSA-N -1 1 273.307 3.412 20 0 CGADMM O=C(NCc1ccc(Cl)cc1)c1c([O-])cccc1F ZINC000228832338 270088059 /nfs/dbraw/zinc/08/80/59/270088059.db2.gz IQEHRTRSKDMMKF-UHFFFAOYSA-N -1 1 279.698 3.115 20 0 CGADMM CC[C@@H](C)CON=c1nc(-c2ccccc2C)[n-]s1 ZINC000528027099 270152383 /nfs/dbraw/zinc/15/23/83/270152383.db2.gz SAGJRXPWNUVOPU-SNVBAGLBSA-N -1 1 277.393 3.325 20 0 CGADMM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000528874150 270175154 /nfs/dbraw/zinc/17/51/54/270175154.db2.gz FVORLGHPKPDDSI-PAWXDDDFSA-N -1 1 265.740 3.276 20 0 CGADMM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2cncc([O-])c2)C1 ZINC000342761958 287712463 /nfs/dbraw/zinc/71/24/63/287712463.db2.gz WHCYKFYSFBBUOZ-DYVFJYSZSA-N -1 1 296.370 3.401 20 0 CGADMM CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])C[C@H](CC)O1 ZINC000398647830 288047026 /nfs/dbraw/zinc/04/70/26/288047026.db2.gz AJPFCZKOUDQMLM-TXEJJXNPSA-N -1 1 297.782 3.075 20 0 CGADMM CC[C@@H](O)CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538531 288260406 /nfs/dbraw/zinc/26/04/06/288260406.db2.gz CTXQCRXPEZPKOJ-SECBINFHSA-N -1 1 293.750 3.298 20 0 CGADMM Cc1csc(CCCC(=O)Nc2cccc(F)c2[O-])n1 ZINC000530004115 288280776 /nfs/dbraw/zinc/28/07/76/288280776.db2.gz BCQXUURZIICROR-UHFFFAOYSA-N -1 1 294.351 3.258 20 0 CGADMM C[C@@H]1CCC[C@]1(C)C(=O)Nc1cccc(F)c1[O-] ZINC000530005768 288281757 /nfs/dbraw/zinc/28/17/57/288281757.db2.gz NQXXJBRIJXLPGZ-OTYXRUKQSA-N -1 1 251.301 3.296 20 0 CGADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cccc(F)c2[O-])CCO1 ZINC000530006683 288282132 /nfs/dbraw/zinc/28/21/32/288282132.db2.gz SWWXVENBTNRCIM-FZMZJTMJSA-N -1 1 295.354 3.311 20 0 CGADMM C[C@H](c1ccc2ccccc2c1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530170511 288291824 /nfs/dbraw/zinc/29/18/24/288291824.db2.gz QXXWYVJWDYAQTE-XNJGSVPQSA-N -1 1 299.370 3.075 20 0 CGADMM C[C@@H](c1ccc2ccccc2c1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530170509 288291909 /nfs/dbraw/zinc/29/19/09/288291909.db2.gz QXXWYVJWDYAQTE-IGCXYCKISA-N -1 1 299.370 3.075 20 0 CGADMM CC[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436777858 281080186 /nfs/dbraw/zinc/08/01/86/281080186.db2.gz OOCRMACEFVVATM-JTQLQIEISA-N -1 1 287.281 3.426 20 0 CGADMM CC[C@H]1CO[C@H](C)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000298089960 288331091 /nfs/dbraw/zinc/33/10/91/288331091.db2.gz ROUBJGPZWDOGEI-DOMZBBRYSA-N -1 1 299.370 3.185 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CC12CCCCC2 ZINC000532012975 288350049 /nfs/dbraw/zinc/35/00/49/288350049.db2.gz UMYDLGORMSAPGQ-NSHDSACASA-N -1 1 263.312 3.440 20 0 CGADMM Cc1nc(-c2ccc(N3[C@@H](C)CC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000301928416 281800870 /nfs/dbraw/zinc/80/08/70/281800870.db2.gz ZPOSWCPUDQCJPA-QWRGUYRKSA-N -1 1 298.390 3.238 20 0 CGADMM Cc1noc(C)c1[N-]C(=O)c1coc(C2CCCC2)n1 ZINC000548873238 289026727 /nfs/dbraw/zinc/02/67/27/289026727.db2.gz PAPQHTWTPPWFGP-UHFFFAOYSA-N -1 1 275.308 3.189 20 0 CGADMM Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2oncc2C(=O)[O-])c1 ZINC000565544704 322081368 /nfs/dbraw/zinc/08/13/68/322081368.db2.gz OLMBSCDBMPMDAF-LBPRGKRZSA-N -1 1 288.347 3.183 20 0 CGADMM Cc1ccc(C)c([C@H](C)N(C)Cc2oncc2C(=O)[O-])c1 ZINC000565544704 322081369 /nfs/dbraw/zinc/08/13/69/322081369.db2.gz OLMBSCDBMPMDAF-LBPRGKRZSA-N -1 1 288.347 3.183 20 0 CGADMM CCc1cccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000566361643 322118160 /nfs/dbraw/zinc/11/81/60/322118160.db2.gz LTYLRGKAWVJBHK-UHFFFAOYSA-N -1 1 287.359 3.481 20 0 CGADMM O=C([O-])c1ccc(CN(CCC(F)(F)F)CC2CC2)o1 ZINC000568521488 322212833 /nfs/dbraw/zinc/21/28/33/322212833.db2.gz IZCNHCXMDJYATH-UHFFFAOYSA-N -1 1 291.269 3.142 20 0 CGADMM CCCN(C[C@H]1CCCCO1)[C@H](C(=O)[O-])c1ccsc1 ZINC000568639592 322216718 /nfs/dbraw/zinc/21/67/18/322216718.db2.gz SSWMHXBLITXOPP-KGLIPLIRSA-N -1 1 297.420 3.155 20 0 CGADMM COc1ccc([C@H](C)N(C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000570403058 322272892 /nfs/dbraw/zinc/27/28/92/322272892.db2.gz HHLBVGLLANWJFT-NSHDSACASA-N -1 1 289.331 3.179 20 0 CGADMM C[C@@H]1c2ccccc2CCN1Cc1ccc(C(=O)[O-])o1 ZINC000570808569 322282794 /nfs/dbraw/zinc/28/27/94/322282794.db2.gz TVLNLJSGCVKWRN-LLVKDONJSA-N -1 1 271.316 3.097 20 0 CGADMM CCc1nc(SCCc2scnc2C)[n-]c(=O)c1C ZINC000572986324 322364740 /nfs/dbraw/zinc/36/47/40/322364740.db2.gz FKRWJHAWEVHFOS-UHFFFAOYSA-N -1 1 295.433 3.153 20 0 CGADMM [O-]c1ccc(-c2noc(C[C@@H]3CC[C@H]4C[C@H]43)n2)c(F)c1 ZINC000575877428 322494959 /nfs/dbraw/zinc/49/49/59/322494959.db2.gz DWGYYFSMXPSFDI-HOTUBEGUSA-N -1 1 274.295 3.170 20 0 CGADMM [O-]c1ccc(-c2noc(-c3cncc(F)c3)n2)c(Cl)c1 ZINC000350810823 335535832 /nfs/dbraw/zinc/53/58/32/335535832.db2.gz ASUNHWSRJAGEDR-UHFFFAOYSA-N -1 1 291.669 3.297 20 0 CGADMM Cc1ccoc1CN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000381891573 336076317 /nfs/dbraw/zinc/07/63/17/336076317.db2.gz QBIPAINSEXZRFD-UHFFFAOYSA-N -1 1 279.723 3.219 20 0 CGADMM CCOC1(CNC(=O)c2cc(Cl)ccc2[O-])CCCC1 ZINC000383972796 336120452 /nfs/dbraw/zinc/12/04/52/336120452.db2.gz FGHGYUJCJMHDDY-UHFFFAOYSA-N -1 1 297.782 3.125 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])o1 ZINC000424422858 533743597 /nfs/dbraw/zinc/74/35/97/533743597.db2.gz UDVBMCYHPHGCLF-YODMDTAWSA-N -1 1 277.364 3.088 20 0 CGADMM C[C@@H]1C[C@H]1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436956717 534031464 /nfs/dbraw/zinc/03/14/64/534031464.db2.gz OQRCDCHMUOHRHE-SFYZADRCSA-N -1 1 264.712 3.294 20 0 CGADMM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000339923167 519694749 /nfs/dbraw/zinc/69/47/49/519694749.db2.gz KZRVGXGDGXRGAJ-DOMZBBRYSA-N -1 1 276.380 3.122 20 0 CGADMM O=C([O-])[C@@H](NCc1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000426762451 534515628 /nfs/dbraw/zinc/51/56/28/534515628.db2.gz KIJDIXDGHBJEKO-AWEZNQCLSA-N -1 1 295.260 3.019 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1C[C@H]2CCCC[C@@H]2C1 ZINC000176090989 534660606 /nfs/dbraw/zinc/66/06/06/534660606.db2.gz XXOYEGLVCMXJTB-GHMZBOCLSA-N -1 1 279.767 3.308 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC2(CC2)CC1 ZINC000371477607 534696207 /nfs/dbraw/zinc/69/62/07/534696207.db2.gz NRVCBVFRMAQSQN-UHFFFAOYSA-N -1 1 299.292 3.427 20 0 CGADMM CC[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000183607951 523533721 /nfs/dbraw/zinc/53/37/21/523533721.db2.gz YEYRNLZNTPDACT-GXSJLCMTSA-N -1 1 283.755 3.189 20 0 CGADMM CCc1ccc(C(C)(C)NC(=O)c2cncc([O-])c2)cc1 ZINC000339916337 523902128 /nfs/dbraw/zinc/90/21/28/523902128.db2.gz UNTNPIDQRNWFPG-UHFFFAOYSA-N -1 1 284.359 3.015 20 0 CGADMM O=C(N[C@@H]1CC[C@@H](F)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436744591 534759523 /nfs/dbraw/zinc/75/95/23/534759523.db2.gz NQURULMYXBNJES-RKDXNWHRSA-N -1 1 291.244 3.031 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1Cc1ccccc1 ZINC000093910690 526622775 /nfs/dbraw/zinc/62/27/75/526622775.db2.gz JAPBOAIOXVYIIJ-OAHLLOKOSA-N -1 1 299.345 3.379 20 0 CGADMM CC(C)(C)[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436919661 526721305 /nfs/dbraw/zinc/72/13/05/526721305.db2.gz MJKCAGRUTIIGQO-NSHDSACASA-N -1 1 279.355 3.430 20 0 CGADMM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(F)cc2[O-])CCO1 ZINC000359358823 527865556 /nfs/dbraw/zinc/86/55/56/527865556.db2.gz IYDVXFUYBNEHPQ-XHDPSFHLSA-N -1 1 295.354 3.311 20 0 CGADMM CC1(C2CC2)CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000359484905 527905324 /nfs/dbraw/zinc/90/53/24/527905324.db2.gz SJNZENMROKSTJT-UHFFFAOYSA-N -1 1 295.329 3.323 20 0 CGADMM CCN(CC(C)C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436546095 527961716 /nfs/dbraw/zinc/96/17/16/527961716.db2.gz OTEYBVBVCSERSH-UHFFFAOYSA-N -1 1 285.771 3.172 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)c([O-])c1 ZINC000436623598 528079868 /nfs/dbraw/zinc/07/98/68/528079868.db2.gz HBYUNZMFBCAJBY-UHFFFAOYSA-N -1 1 299.326 3.497 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2cncc(F)c2)c([O-])c1 ZINC000436776405 528081316 /nfs/dbraw/zinc/08/13/16/528081316.db2.gz VAROWFDMQQEIBF-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM CC1=C[C@@H](C)CN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436996908 528128590 /nfs/dbraw/zinc/12/85/90/528128590.db2.gz LVGQOGKMIUJFSP-SECBINFHSA-N -1 1 265.740 3.084 20 0 CGADMM CC(C)c1cccc(CNC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436913933 528166446 /nfs/dbraw/zinc/16/64/46/528166446.db2.gz HSQKFIOUDARHQO-UHFFFAOYSA-N -1 1 297.354 3.015 20 0 CGADMM CC(C)C[C@H]1CCCCCN1C(=O)c1cncc([O-])c1 ZINC000173259012 528583029 /nfs/dbraw/zinc/58/30/29/528583029.db2.gz YUQJNJSGQPOOBR-CQSZACIVSA-N -1 1 276.380 3.218 20 0 CGADMM CCCc1nc(C)c(NC(=O)c2ccccc2[O-])s1 ZINC000436679488 528741524 /nfs/dbraw/zinc/74/15/24/528741524.db2.gz LKGMUCYKCSCROV-UHFFFAOYSA-N -1 1 276.361 3.362 20 0 CGADMM CCN(Cc1occc1C)C(=O)c1c(F)ccc([O-])c1F ZINC000412798699 528913577 /nfs/dbraw/zinc/91/35/77/528913577.db2.gz JROKTXKYYKIBCL-UHFFFAOYSA-N -1 1 295.285 3.234 20 0 CGADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])CC(C)(C)C1 ZINC000436807008 529101539 /nfs/dbraw/zinc/10/15/39/529101539.db2.gz JQDQHSFEURZZLU-UHFFFAOYSA-N -1 1 279.355 3.430 20 0 CGADMM COc1ccc(-c2nc3cccc(C)c3c(=O)[n-]2)cc1C ZINC000513434133 536506478 /nfs/dbraw/zinc/50/64/78/536506478.db2.gz KZLLDDAPQPHAFQ-UHFFFAOYSA-N -1 1 280.327 3.216 20 0 CGADMM CSc1ccncc1[N-]C(=O)c1scnc1Cl ZINC000750120227 573090627 /nfs/dbraw/zinc/09/06/27/573090627.db2.gz NKNQJKLBPXTVBH-UHFFFAOYSA-N -1 1 285.781 3.166 20 0 CGADMM Cc1cccnc1[C@@H](NCc1ccoc1C(=O)[O-])C(C)C ZINC000738786388 572392160 /nfs/dbraw/zinc/39/21/60/572392160.db2.gz PFYONSLCVCBWES-ZDUSSCGKSA-N -1 1 288.347 3.168 20 0 CGADMM O=C([O-])c1cc(F)ccc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000740078576 572431283 /nfs/dbraw/zinc/43/12/83/572431283.db2.gz LUBKEFJTQIXGJN-OAHLLOKOSA-N -1 1 288.322 3.189 20 0 CGADMM O=C([O-])c1occc1CN1CCCC[C@H]1c1ccco1 ZINC000740282180 572438910 /nfs/dbraw/zinc/43/89/10/572438910.db2.gz TXTAKXUYDNTNBH-LBPRGKRZSA-N -1 1 275.304 3.298 20 0 CGADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C/C(C)(C)C)c1 ZINC000745003023 572787766 /nfs/dbraw/zinc/78/77/66/572787766.db2.gz ZLRSQAOPSKGQAS-VQHVLOKHSA-N -1 1 290.359 3.283 20 0 CGADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1ccccc1 ZINC000747383970 572927139 /nfs/dbraw/zinc/92/71/39/572927139.db2.gz OUAZNEJBELXXTO-LLVKDONJSA-N -1 1 299.374 3.105 20 0 CGADMM Cc1ccc2sc(-c3ccc(-c4nnn[n-]4)o3)nc2c1 ZINC000822284085 599156382 /nfs/dbraw/zinc/15/63/82/599156382.db2.gz IYKLLNYOVNYUNO-UHFFFAOYSA-N -1 1 283.316 3.045 20 0 CGADMM Cc1ccc2sc(-c3ccc(-c4nn[n-]n4)o3)nc2c1 ZINC000822284085 599156385 /nfs/dbraw/zinc/15/63/85/599156385.db2.gz IYKLLNYOVNYUNO-UHFFFAOYSA-N -1 1 283.316 3.045 20 0 CGADMM CCN(Cc1cc(C(=O)[O-])co1)Cc1ccc(C)cc1 ZINC000699473720 599848933 /nfs/dbraw/zinc/84/89/33/599848933.db2.gz LVVPSXQKOOZXKN-UHFFFAOYSA-N -1 1 273.332 3.308 20 0 CGADMM Cc1cc(CN2CCC[C@@H]2c2ccccn2)oc1C(=O)[O-] ZINC000832882457 601319266 /nfs/dbraw/zinc/31/92/66/601319266.db2.gz GCPHIDQBTCILNB-CQSZACIVSA-N -1 1 286.331 3.018 20 0 CGADMM C[C@@H]1CC(n2[n-]c3c(c2=O)CCCCCC3)C[C@@H](C)O1 ZINC000899361007 620667596 /nfs/dbraw/zinc/66/75/96/620667596.db2.gz RMEXMMKSTHVZMK-YRGRVCCFSA-N -1 1 278.396 3.111 20 0 CGADMM O=C([O-])[C@@H]1CCCN1Cc1ccc(-c2ccccc2F)o1 ZINC000263419679 604527798 /nfs/dbraw/zinc/52/77/98/604527798.db2.gz OJRCPNCTJOXMBQ-AWEZNQCLSA-N -1 1 289.306 3.135 20 0 CGADMM CC(C)(C(=O)[O-])[C@@H](NCc1cscn1)c1ccccc1 ZINC000833413903 604866314 /nfs/dbraw/zinc/86/63/14/604866314.db2.gz JOYWAKIALWYGLS-ZDUSSCGKSA-N -1 1 290.388 3.085 20 0 CGADMM CC(C)(NCc1ccc(C(=O)[O-])o1)c1cccc(F)c1 ZINC000833460743 605142209 /nfs/dbraw/zinc/14/22/09/605142209.db2.gz IJQIHKISYFYIBR-UHFFFAOYSA-N -1 1 277.295 3.142 20 0 CGADMM CCc1cnccc1[C@H](C)N[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000833673851 605270822 /nfs/dbraw/zinc/27/08/22/605270822.db2.gz OHKCPCILLLSFCH-QWRGUYRKSA-N -1 1 288.347 3.347 20 0 CGADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccoc1C(=O)[O-] ZINC000833605214 605701325 /nfs/dbraw/zinc/70/13/25/605701325.db2.gz ILSSEAXVRGLIQG-WCBMZHEXSA-N -1 1 291.269 3.141 20 0 CGADMM CCc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821486218 606410660 /nfs/dbraw/zinc/41/06/60/606410660.db2.gz AFTBHRZWEONPAB-UHFFFAOYSA-N -1 1 285.376 3.103 20 0 CGADMM Cc1cc(C)cc(CSc2cccc(-c3nnn[n-]3)n2)c1 ZINC000826264346 607901757 /nfs/dbraw/zinc/90/17/57/607901757.db2.gz KYPXWWGYYWNOIW-UHFFFAOYSA-N -1 1 297.387 3.171 20 0 CGADMM Cc1cc(C)cc(CSc2cccc(-c3nn[n-]n3)n2)c1 ZINC000826264346 607901758 /nfs/dbraw/zinc/90/17/58/607901758.db2.gz KYPXWWGYYWNOIW-UHFFFAOYSA-N -1 1 297.387 3.171 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC[C@H]1C1CCCC1 ZINC000889416564 617684511 /nfs/dbraw/zinc/68/45/11/617684511.db2.gz YPIRJUWBFQECFU-AWEZNQCLSA-N -1 1 293.794 3.379 20 0 CGADMM CC(C)C[C@](C)(CNCc1nc(C(C)(C)C)co1)C(=O)[O-] ZINC000900054797 620753875 /nfs/dbraw/zinc/75/38/75/620753875.db2.gz ZOMVKCSVILUEAR-MRXNPFEDSA-N -1 1 296.411 3.199 20 0 CGADMM Cc1sc([C@H](C)NCc2cccc(C)c2)nc1C(=O)[O-] ZINC000900074768 620756026 /nfs/dbraw/zinc/75/60/26/620756026.db2.gz CVKPYUFDYDDXAR-JTQLQIEISA-N -1 1 290.388 3.309 20 0 CGADMM COCC(C)(C)CCCNC(=O)c1c([O-])cccc1Cl ZINC000807800322 617873844 /nfs/dbraw/zinc/87/38/44/617873844.db2.gz GCJRDROFVMPAFD-UHFFFAOYSA-N -1 1 299.798 3.228 20 0 CGADMM Cc1cc(CN[C@@H](C)c2ccc(C)cc2)oc1C(=O)[O-] ZINC000235527880 617906781 /nfs/dbraw/zinc/90/67/81/617906781.db2.gz UWVXJMUVZAJZHV-LBPRGKRZSA-N -1 1 273.332 3.445 20 0 CGADMM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccccc1[O-] ZINC000175842526 617977066 /nfs/dbraw/zinc/97/70/66/617977066.db2.gz JHYZQAQACUVHPL-GFCCVEGCSA-N -1 1 283.327 3.128 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(F)c1 ZINC000082192889 618240674 /nfs/dbraw/zinc/24/06/74/618240674.db2.gz HDNNUWXIZKYNOH-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM CS[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000075178362 618765939 /nfs/dbraw/zinc/76/59/39/618765939.db2.gz SLIAXJNPTDYGFR-VHSXEESVSA-N -1 1 285.796 3.060 20 0 CGADMM CC(C)(C)CCCC(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637539 618863519 /nfs/dbraw/zinc/86/35/19/618863519.db2.gz KQQRMACJNORZPL-UHFFFAOYSA-N -1 1 296.440 3.108 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc2cc[nH]c21 ZINC000188348674 619084807 /nfs/dbraw/zinc/08/48/07/619084807.db2.gz IUXRDJBUBDXMSA-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM CC/C(=C/C(=O)[N-]O[C@H]1CCCCO1)c1ccc(C)cc1 ZINC000162755406 619143704 /nfs/dbraw/zinc/14/37/04/619143704.db2.gz ARWJTWOAKHSUCU-AINHQSCGSA-N -1 1 289.375 3.363 20 0 CGADMM O=C(NCCSC(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000225816232 619270939 /nfs/dbraw/zinc/27/09/39/619270939.db2.gz QSUOUPJTXOILGY-UHFFFAOYSA-N -1 1 299.701 3.028 20 0 CGADMM Cc1cnc(SCC[C@@H]2CCCC2(F)F)[n-]c1=O ZINC000882174317 619741737 /nfs/dbraw/zinc/74/17/37/619741737.db2.gz SVJCRISVXUHQAC-VIFPVBQESA-N -1 1 274.336 3.408 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@@H]1C1CC1 ZINC000896149341 619957918 /nfs/dbraw/zinc/95/79/18/619957918.db2.gz NMEOSGSNVHCNAA-MRXNPFEDSA-N -1 1 297.354 3.266 20 0 CGADMM CCC1(C)CN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000897809960 620435349 /nfs/dbraw/zinc/43/53/49/620435349.db2.gz ZMQYWWUIAAAEEW-UHFFFAOYSA-N -1 1 285.343 3.123 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C1C[C@H]2CC[C@@H](C1)S2 ZINC000897931831 620447687 /nfs/dbraw/zinc/44/76/87/620447687.db2.gz ZREXVECFFAPEIZ-CBLAIPOGSA-N -1 1 299.342 3.283 20 0 CGADMM Cc1cccc2c1CC[C@@H]2NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902230516 621202947 /nfs/dbraw/zinc/20/29/47/621202947.db2.gz DSVNKUVSXAOZHI-JEJOPICUSA-N -1 1 297.354 3.463 20 0 CGADMM O=C([O-])c1cc(CN2CC[C@H]2c2ccccc2)cs1 ZINC000902512852 621351634 /nfs/dbraw/zinc/35/16/34/621351634.db2.gz POBKAPGSBGEQBI-ZDUSSCGKSA-N -1 1 273.357 3.393 20 0 CGADMM CCC[C@H](NCc1ccc(C(=O)[O-])s1)c1ccccn1 ZINC000903677579 621787217 /nfs/dbraw/zinc/78/72/17/621787217.db2.gz VJTGDGDICUITER-LBPRGKRZSA-N -1 1 290.388 3.472 20 0 CGADMM O=C([O-])c1ccc(CN[C@H]2C[C@]2(F)c2ccccc2)s1 ZINC000903690285 621789397 /nfs/dbraw/zinc/78/93/97/621789397.db2.gz ATHNECFKPPQYSG-ZFWWWQNUSA-N -1 1 291.347 3.173 20 0 CGADMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000903698440 621791659 /nfs/dbraw/zinc/79/16/59/621791659.db2.gz USPJTLWSSJVNGA-LBPRGKRZSA-N -1 1 297.782 3.265 20 0 CGADMM CSCCCCc1noc(-c2cc(F)ccc2[O-])n1 ZINC000903785797 621808362 /nfs/dbraw/zinc/80/83/62/621808362.db2.gz QBIPSCVCCHIWST-UHFFFAOYSA-N -1 1 282.340 3.267 20 0 CGADMM Cc1ccc(C)c(CN(C)Cc2cncc(C(=O)[O-])c2)c1 ZINC000903896497 621829392 /nfs/dbraw/zinc/82/93/92/621829392.db2.gz CGGSCZFZTHCQNX-UHFFFAOYSA-N -1 1 284.359 3.029 20 0 CGADMM COc1cnc(C=Cc2cccc(C3CC3)c2)[n-]c1=O ZINC000905076792 622037531 /nfs/dbraw/zinc/03/75/31/622037531.db2.gz KPCLGYKLVOGUBI-VMPITWQZSA-N -1 1 268.316 3.239 20 0 CGADMM COc1cnc(C=Cc2ccccc2OCC2CC2)[n-]c1=O ZINC000905077196 622037601 /nfs/dbraw/zinc/03/76/01/622037601.db2.gz RWRLOAVEVICPGO-CMDGGOBGSA-N -1 1 298.342 3.150 20 0 CGADMM C[C@H](CC(C)(C)CC(=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC000905788345 622115092 /nfs/dbraw/zinc/11/50/92/622115092.db2.gz AQTKUCBUTPPCCQ-LLVKDONJSA-N -1 1 296.411 3.341 20 0 CGADMM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908709003 622369215 /nfs/dbraw/zinc/36/92/15/622369215.db2.gz FRRUUVQBLGMOGX-BDAKNGLRSA-N -1 1 298.180 3.385 20 0 CGADMM CCO[C@H](C(=O)Nc1cc([O-])c(F)cc1F)C1CCCC1 ZINC000909971569 622440062 /nfs/dbraw/zinc/44/00/62/622440062.db2.gz GGPQRZBQOAIUOV-AWEZNQCLSA-N -1 1 299.317 3.204 20 0 CGADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985136 622441071 /nfs/dbraw/zinc/44/10/71/622441071.db2.gz FNYMGSOFWCCJQD-RMLUDKJBSA-N -1 1 269.291 3.291 20 0 CGADMM O=C(C[C@@H]1C=CCCC1)Nc1cc([O-])c(F)cc1F ZINC000909985541 622441673 /nfs/dbraw/zinc/44/16/73/622441673.db2.gz LHQXHTZERUBURR-SECBINFHSA-N -1 1 267.275 3.355 20 0 CGADMM CSCCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909980674 622443082 /nfs/dbraw/zinc/44/30/82/622443082.db2.gz CRQNYKZCNKNQSX-UHFFFAOYSA-N -1 1 275.320 3.142 20 0 CGADMM O=C(C[C@@H]1C=CCCC1)Nc1cc(F)cc(F)c1[O-] ZINC000910984235 622513025 /nfs/dbraw/zinc/51/30/25/622513025.db2.gz VAOGSEHZIBPEGB-SECBINFHSA-N -1 1 267.275 3.355 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CC12CCSCC2 ZINC000910987025 622513068 /nfs/dbraw/zinc/51/30/68/622513068.db2.gz JALHTKCPVIWSIK-SECBINFHSA-N -1 1 299.342 3.142 20 0 CGADMM CC1=C(C(=O)Nc2cc(F)cc(F)c2[O-])CCC1 ZINC000910982495 622513095 /nfs/dbraw/zinc/51/30/95/622513095.db2.gz KFHXKAHRMACLBB-UHFFFAOYSA-N -1 1 253.248 3.109 20 0 CGADMM Cc1cc(CN[C@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000232424444 623388643 /nfs/dbraw/zinc/38/86/43/623388643.db2.gz KFQXIMBIUXJTOB-LLVKDONJSA-N -1 1 259.305 3.137 20 0 CGADMM O=c1cc(C(F)F)nc(SCc2cnc(C3CC3)o2)[n-]1 ZINC000917746409 624309388 /nfs/dbraw/zinc/30/93/88/624309388.db2.gz NNEVIYHXCMNJRK-UHFFFAOYSA-N -1 1 299.302 3.278 20 0 CGADMM CCc1ccc(C(=O)N2CC[C@H](O)c3ccccc32)c([O-])c1 ZINC000889265411 625843653 /nfs/dbraw/zinc/84/36/53/625843653.db2.gz ARDPLSIYOFDGTD-INIZCTEOSA-N -1 1 297.354 3.039 20 0 CGADMM Cc1oc2ccccc2c1CNCc1ccc(C(=O)[O-])o1 ZINC000756284807 626689132 /nfs/dbraw/zinc/68/91/32/626689132.db2.gz IKIXXKJZYKWOTA-UHFFFAOYSA-N -1 1 285.299 3.322 20 0 CGADMM CCN(CCC1CC1)C(=O)c1c([O-])cccc1Cl ZINC000760984744 627007248 /nfs/dbraw/zinc/00/72/48/627007248.db2.gz SWAFYXPTSKFWPD-UHFFFAOYSA-N -1 1 267.756 3.308 20 0 CGADMM CC(=O)CCCCCCC(=O)Nc1ccc(F)cc1[O-] ZINC000764749745 627221517 /nfs/dbraw/zinc/22/15/17/627221517.db2.gz AXHFPTATPMVTBQ-UHFFFAOYSA-N -1 1 281.327 3.399 20 0 CGADMM CCCC[C@@H](CC)CC(=O)[N-]OCC(F)(F)F ZINC000766769751 627359386 /nfs/dbraw/zinc/35/93/86/627359386.db2.gz YSMFLAUAVPMDQN-SECBINFHSA-N -1 1 255.280 3.203 20 0 CGADMM CN(C(=O)c1ccc([O-])c(F)c1)c1ccc(F)c(F)c1 ZINC000767327895 627398095 /nfs/dbraw/zinc/39/80/95/627398095.db2.gz MGPVAZCRFLWMFQ-UHFFFAOYSA-N -1 1 281.233 3.086 20 0 CGADMM CC[C@H](C)[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000769733408 627575237 /nfs/dbraw/zinc/57/52/37/627575237.db2.gz YCSNSJFUIZMVBR-DTWKUNHWSA-N -1 1 255.745 3.210 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H]2CCC[C@@H]21 ZINC000769921157 627589850 /nfs/dbraw/zinc/58/98/50/627589850.db2.gz KMUWFXOLZCSWML-PWSUYJOCSA-N -1 1 279.767 3.450 20 0 CGADMM Cc1ccc2oc([N-]c3cnn(C)c3C3CC3)nc2c1 ZINC000770126983 627605481 /nfs/dbraw/zinc/60/54/81/627605481.db2.gz KDQJLYBAVFVXQA-UHFFFAOYSA-N -1 1 268.320 3.491 20 0 CGADMM CC(C)c1cc(C(=O)[N-]c2nc(C(C)C)ns2)no1 ZINC000874695180 634594133 /nfs/dbraw/zinc/59/41/33/634594133.db2.gz CSDVNNBGXQZFDG-UHFFFAOYSA-N -1 1 280.353 3.025 20 0 CGADMM Cc1nc(C2CC2)oc1C(=O)[N-]c1nc(C(C)C)ns1 ZINC000874696083 634595315 /nfs/dbraw/zinc/59/53/15/634595315.db2.gz RVJOGZKJHCTOOY-UHFFFAOYSA-N -1 1 292.364 3.088 20 0 CGADMM CCOc1ccccc1COC(=O)c1ccc([O-])cc1F ZINC000773567453 627897164 /nfs/dbraw/zinc/89/71/64/627897164.db2.gz URYIRSQOLUAEPA-UHFFFAOYSA-N -1 1 290.290 3.287 20 0 CGADMM O=C(NCc1cc(Cl)ccn1)c1c([O-])cccc1Cl ZINC000776232185 628183264 /nfs/dbraw/zinc/18/32/64/628183264.db2.gz HYOIOEWGXLFPKR-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM Cc1nc(SC/C(Cl)=C\Cl)[n-]c(=O)c1C ZINC000776869301 628235526 /nfs/dbraw/zinc/23/55/26/628235526.db2.gz LSDSBUSPMKHNFT-XVNBXDOJSA-N -1 1 265.165 3.210 20 0 CGADMM C[C@H](COc1ccccc1)C(=O)[N-]OC1CCCCC1 ZINC000777962872 628316100 /nfs/dbraw/zinc/31/61/00/628316100.db2.gz QZDROJIWBQDNFP-CYBMUJFWSA-N -1 1 277.364 3.082 20 0 CGADMM O=C(OC/C=C/Cl)c1ccc(Br)c([O-])c1 ZINC000778826604 628374279 /nfs/dbraw/zinc/37/42/79/628374279.db2.gz CPAYEUQOTDXTTM-DAFODLJHSA-N -1 1 291.528 3.064 20 0 CGADMM O=C(Nc1ccc(Cl)cc1[O-])c1csc(Cl)n1 ZINC000781960247 628607258 /nfs/dbraw/zinc/60/72/58/628607258.db2.gz KYEDHWNIPZWTMQ-UHFFFAOYSA-N -1 1 289.143 3.408 20 0 CGADMM O=C(CCC1CCC1)Nc1nc(Br)ccc1[O-] ZINC000783900514 628756458 /nfs/dbraw/zinc/75/64/58/628756458.db2.gz BOZLVEIACCSNOR-UHFFFAOYSA-N -1 1 299.168 3.069 20 0 CGADMM O=C(O[C@@H]1CCc2ccccc21)c1ccc([O-])cc1F ZINC000784520059 628819130 /nfs/dbraw/zinc/81/91/30/628819130.db2.gz YFLRACFGJZCNHE-OAHLLOKOSA-N -1 1 272.275 3.376 20 0 CGADMM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC000787533820 629015912 /nfs/dbraw/zinc/01/59/12/629015912.db2.gz NRTGTYLVTHTTNE-VIFPVBQESA-N -1 1 281.224 3.236 20 0 CGADMM COC(=O)c1c[n-]c(SCCC2CCCCC2)n1 ZINC000788508049 629058874 /nfs/dbraw/zinc/05/88/74/629058874.db2.gz ACSCTDKJCMOPHH-UHFFFAOYSA-N -1 1 268.382 3.259 20 0 CGADMM C[C@H](C(=O)Nc1nc(Cl)ccc1[O-])C(C)(C)C ZINC000790052566 629180664 /nfs/dbraw/zinc/18/06/64/629180664.db2.gz YXOXOTKQVDYQJZ-SSDOTTSWSA-N -1 1 256.733 3.061 20 0 CGADMM CC[C@H](C)[C@@H](C)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790056519 629181141 /nfs/dbraw/zinc/18/11/41/629181141.db2.gz NPPOQPIYPOEIDQ-JGVFFNPUSA-N -1 1 256.733 3.061 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(Cl)cs1 ZINC000790057555 629181254 /nfs/dbraw/zinc/18/12/54/629181254.db2.gz YYPGZHAPROEJFM-UHFFFAOYSA-N -1 1 289.143 3.408 20 0 CGADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)CC(F)(F)F ZINC000839848081 630021766 /nfs/dbraw/zinc/02/17/66/630021766.db2.gz CKCUCGXWCNNQOB-ZETCQYMHSA-N -1 1 295.688 3.364 20 0 CGADMM CC(C)(CNC(=O)c1c([O-])cccc1Cl)C(F)(F)F ZINC000801325049 630331805 /nfs/dbraw/zinc/33/18/05/630331805.db2.gz HSSYQEVGGNVAOI-UHFFFAOYSA-N -1 1 295.688 3.364 20 0 CGADMM O=C(OCc1ccncc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000803341488 630465623 /nfs/dbraw/zinc/46/56/23/630465623.db2.gz PUKBVWGHNUSKGM-UHFFFAOYSA-N -1 1 298.125 3.451 20 0 CGADMM CC1(C)CCCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394081 634826919 /nfs/dbraw/zinc/82/69/19/634826919.db2.gz QASWZUCQAGCTPQ-UHFFFAOYSA-N -1 1 282.771 3.130 20 0 CGADMM CC(C)Cc1cccc([C@@H](C)C(=O)[N-]OCC2CC2)c1 ZINC000817330033 632123477 /nfs/dbraw/zinc/12/34/77/632123477.db2.gz ICTFOMHRWRWINO-CYBMUJFWSA-N -1 1 275.392 3.446 20 0 CGADMM CC(=Cc1ccccc1Cl)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000820401609 632618383 /nfs/dbraw/zinc/61/83/83/632618383.db2.gz BYSWKEMHLMLTFY-BQYQJAHWSA-N -1 1 291.738 3.119 20 0 CGADMM COc1cnc(C=Cc2ccc(OC(C)C)cc2)[n-]c1=O ZINC000821007060 632710423 /nfs/dbraw/zinc/71/04/23/632710423.db2.gz AYSAUYCVJRMIKS-TWGQIWQCSA-N -1 1 286.331 3.148 20 0 CGADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@]12C[C@H]1CCCC2 ZINC000869482705 633451062 /nfs/dbraw/zinc/45/10/62/633451062.db2.gz RYRIAMLNVXEMCW-SJKOYZFVSA-N -1 1 297.358 3.097 20 0 CGADMM Cc1cnc([C@H](C)OC(=O)Cc2ccc([O-])c(Cl)c2)o1 ZINC000869736836 633502910 /nfs/dbraw/zinc/50/29/10/633502910.db2.gz ROYFSBCKKAFVPA-VIFPVBQESA-N -1 1 295.722 3.189 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CC2(CC2(F)F)C1 ZINC000830776843 633887240 /nfs/dbraw/zinc/88/72/40/633887240.db2.gz YPNLARRGNWANNO-UHFFFAOYSA-N -1 1 287.693 3.420 20 0 CGADMM CCc1[n-]n(-c2cccc(C(F)(F)F)c2)c(=O)c1F ZINC000871947287 633922478 /nfs/dbraw/zinc/92/24/78/633922478.db2.gz WEPBYKWGKMYPHG-SNVBAGLBSA-N -1 1 274.217 3.156 20 0 CGADMM Cc1cc([C@H]2CCCN2Cc2cc(C(=O)[O-])cs2)on1 ZINC000872156575 634067895 /nfs/dbraw/zinc/06/78/95/634067895.db2.gz CZHMLBZPRZVRFA-GFCCVEGCSA-N -1 1 292.360 3.080 20 0 CGADMM O=C(N[C@@H]1CCSC2(CCC2)C1)c1cc(F)ccc1[O-] ZINC000834738814 634232717 /nfs/dbraw/zinc/23/27/17/634232717.db2.gz DYHPERZLGCXOTC-LLVKDONJSA-N -1 1 295.379 3.079 20 0 CGADMM CC[C@@H](CC(F)F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834821756 634248182 /nfs/dbraw/zinc/24/81/82/634248182.db2.gz FXIYTOVTMDVVFV-VIFPVBQESA-N -1 1 291.725 3.343 20 0 CGADMM C[C@H](CC(F)(F)F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834823221 634248242 /nfs/dbraw/zinc/24/82/42/634248242.db2.gz WDNRKOHVOGNNGY-SSDOTTSWSA-N -1 1 295.688 3.250 20 0 CGADMM CC[C@H](C)[C@@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825568 634249798 /nfs/dbraw/zinc/24/97/98/634249798.db2.gz MRAQSCAKFSAZEP-VHSXEESVSA-N -1 1 269.772 3.344 20 0 CGADMM CCC[C@@H](CC)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834833806 634252684 /nfs/dbraw/zinc/25/26/84/634252684.db2.gz MFPRHOFWGAWMMS-LLVKDONJSA-N -1 1 269.772 3.488 20 0 CGADMM C[C@@H]1[C@H](C)CN(C(=O)c2c([O-])cccc2Cl)[C@H]1C ZINC000841459734 635179406 /nfs/dbraw/zinc/17/94/06/635179406.db2.gz FMWSQIKUGLZHCI-BBBLOLIVSA-N -1 1 267.756 3.162 20 0 CGADMM CC1(CC(F)F)CN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000844006083 635805696 /nfs/dbraw/zinc/80/56/96/635805696.db2.gz BVOTZWOJIFDWSF-UHFFFAOYSA-N -1 1 289.709 3.163 20 0 CGADMM Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)Cc2ccc3cc[nH]c3c2)n1 ZINC000879724910 635843209 /nfs/dbraw/zinc/84/32/09/635843209.db2.gz QSXDCKRIRLGCQG-LBPRGKRZSA-N -1 1 296.374 3.165 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cnc(CC2CC2)s1 ZINC000880854184 636054418 /nfs/dbraw/zinc/05/44/18/636054418.db2.gz RMMGBTDBVUXSTG-UHFFFAOYSA-N -1 1 292.335 3.193 20 0 CGADMM C[C@@H](C(=O)[N-]OC/C=C\Cl)c1ccc(Cl)cc1 ZINC000846192804 636157017 /nfs/dbraw/zinc/15/70/17/636157017.db2.gz JUHSPTWNVXDYEX-RMGQIXRRSA-N -1 1 274.147 3.244 20 0 CGADMM Cc1cnc(SCCSC(C)(C)C)[n-]c1=O ZINC000849902807 636904963 /nfs/dbraw/zinc/90/49/63/636904963.db2.gz FCMWLYYLIPUMJD-UHFFFAOYSA-N -1 1 258.412 3.114 20 0 CGADMM COC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCCC1 ZINC000885678047 637284243 /nfs/dbraw/zinc/28/42/43/637284243.db2.gz HQNUSIXYGHNCOW-UHFFFAOYSA-N -1 1 287.718 3.082 20 0 CGADMM O=C(C=C1CCC1)Nc1cc(F)c([O-])cc1Cl ZINC000885676307 637284340 /nfs/dbraw/zinc/28/43/40/637284340.db2.gz MJCWJRWXFCWBJI-UHFFFAOYSA-N -1 1 255.676 3.234 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000890269507 637534202 /nfs/dbraw/zinc/53/42/02/637534202.db2.gz FARIVALKCKRDAG-BETUJISGSA-N -1 1 297.354 3.123 20 0 CGADMM CC(C)[C@@H]1CCc2[n-]n(C3CCSCC3)c(=O)c2C1 ZINC000887292828 637790657 /nfs/dbraw/zinc/79/06/57/637790657.db2.gz HRLIUGUGLPHIFP-DGCLKSJQSA-N -1 1 280.437 3.153 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]1C1CCCC1 ZINC000889396826 638018489 /nfs/dbraw/zinc/01/84/89/638018489.db2.gz PTPHNTXPEZIBDJ-ZDUSSCGKSA-N -1 1 279.767 3.450 20 0 CGADMM C[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C(F)(F)F ZINC000885676979 638039646 /nfs/dbraw/zinc/03/96/46/638039646.db2.gz XVTDSSMDGIGYCT-SCSAIBSYSA-N -1 1 285.624 3.322 20 0 CGADMM O=C([N-]Oc1ccccc1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000854536887 638068990 /nfs/dbraw/zinc/06/89/90/638068990.db2.gz YCWULVDNXQNTCE-CABCVRRESA-N -1 1 259.349 3.313 20 0 CGADMM CC(C)[C@H](NC(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000856123083 638303120 /nfs/dbraw/zinc/30/31/20/638303120.db2.gz LEJQIGMROVICDL-ZDUSSCGKSA-N -1 1 267.756 3.210 20 0 CGADMM CC[C@H](C(=O)[N-]OCC1CCC1)c1ccc(OC)cc1 ZINC000856349552 638349944 /nfs/dbraw/zinc/34/99/44/638349944.db2.gz INVOFXMAEYFEJT-HNNXBMFYSA-N -1 1 277.364 3.037 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N(CC(F)F)C1CCC1 ZINC000925254019 638485095 /nfs/dbraw/zinc/48/50/95/638485095.db2.gz LEEUINHPXAGHFY-UHFFFAOYSA-N -1 1 289.709 3.305 20 0 CGADMM CC1(C)CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000857506609 638511719 /nfs/dbraw/zinc/51/17/19/638511719.db2.gz VUTFYGOFANMAPH-NSHDSACASA-N -1 1 287.281 3.329 20 0 CGADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cc(Cl)[n-]c(=O)n1 ZINC000858415838 638708976 /nfs/dbraw/zinc/70/89/76/638708976.db2.gz ALLVIVGNXJXRGM-BXKDBHETSA-N -1 1 299.802 3.089 20 0 CGADMM O=c1nc(N2CCC(C3CCCC3)CC2)cc(Cl)[n-]1 ZINC000858427468 638714247 /nfs/dbraw/zinc/71/42/47/638714247.db2.gz HYDUNAUBFNDOQT-UHFFFAOYSA-N -1 1 281.787 3.242 20 0 CGADMM O=c1nc(N2CCCC23CCCCC3)cc(Cl)[n-]1 ZINC000858459670 638725011 /nfs/dbraw/zinc/72/50/11/638725011.db2.gz IASCTLSHIKPHOZ-UHFFFAOYSA-N -1 1 267.760 3.139 20 0 CGADMM O=C(Nc1cnn(C2CCCC2)c1)c1ccc([O-])cc1F ZINC000928792751 638892833 /nfs/dbraw/zinc/89/28/33/638892833.db2.gz CZKFYXCSHCCUTJ-UHFFFAOYSA-N -1 1 289.310 3.095 20 0 CGADMM CC(C)(CNc1cc(Cl)[n-]c(=O)n1)CC(F)(F)F ZINC000858635585 639005347 /nfs/dbraw/zinc/00/53/47/639005347.db2.gz MBOIACYMCYNYMV-UHFFFAOYSA-N -1 1 283.681 3.226 20 0 CGADMM CC1(C)CCC[C@@H]1CCNc1cc(Cl)[n-]c(=O)n1 ZINC000858650666 639007202 /nfs/dbraw/zinc/00/72/02/639007202.db2.gz YUBWFCMZRMONSU-SECBINFHSA-N -1 1 269.776 3.464 20 0 CGADMM O=C([N-]c1ccccc1SC(F)F)c1cnns1 ZINC000047412337 640012853 /nfs/dbraw/zinc/01/28/53/640012853.db2.gz AEFKEEPOLMWOFM-UHFFFAOYSA-N -1 1 287.316 3.105 20 0 CGADMM CCc1ccc(OC(=O)c2ccc(C#N)c([O-])c2)c(OC)c1 ZINC000189067929 640164899 /nfs/dbraw/zinc/16/48/99/640164899.db2.gz QCDCUWABTLAJKL-UHFFFAOYSA-N -1 1 297.310 3.054 20 0 CGADMM CC(C)Cc1nnc(NCc2c([O-])ccc(Cl)c2F)o1 ZINC000191534000 640318538 /nfs/dbraw/zinc/31/85/38/640318538.db2.gz ADGJCDFGBJTRJU-UHFFFAOYSA-N -1 1 299.733 3.378 20 0 CGADMM CC(C)CSCc1cc(=O)oc2cc([O-])ccc12 ZINC000193468447 640462416 /nfs/dbraw/zinc/46/24/16/640462416.db2.gz BXSHMUOIQRRGHF-UHFFFAOYSA-N -1 1 264.346 3.388 20 0 CGADMM O=C(/C=C/c1ccco1)Nc1ccc([O-])c(Cl)c1 ZINC000082192725 640565767 /nfs/dbraw/zinc/56/57/67/640565767.db2.gz RHJUBKZJSIAJBI-GQCTYLIASA-N -1 1 263.680 3.291 20 0 CGADMM CCc1nnc([C@@H](C)O[N-]C(=O)CCC2CCCCC2)o1 ZINC000083536776 640597741 /nfs/dbraw/zinc/59/77/41/640597741.db2.gz DAPHODJNIQEANS-LLVKDONJSA-N -1 1 295.383 3.101 20 0 CGADMM O=C([O-])c1ccc(CN[C@@H]2CCCc3sccc32)nc1 ZINC000094760859 640802826 /nfs/dbraw/zinc/80/28/26/640802826.db2.gz XXRBLWZAOQAKQB-CYBMUJFWSA-N -1 1 288.372 3.009 20 0 CGADMM Cn1c2ccccc2nc1-c1cc(F)c(F)cc1[O-] ZINC001250966624 805811342 /nfs/dbraw/zinc/81/13/42/805811342.db2.gz FLEKSJMYEQHYNZ-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM O=C([O-])c1ccc(O)c(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC001251022628 805831461 /nfs/dbraw/zinc/83/14/61/805831461.db2.gz FXKDKZUXDSEYBQ-UHFFFAOYSA-N -1 1 288.690 3.287 20 0 CGADMM [O-]c1cc(O)c(-c2nc3ccccc3[nH]2)cc1Cl ZINC001251083170 805844672 /nfs/dbraw/zinc/84/46/72/805844672.db2.gz QDGWYMSFUMMPHF-UHFFFAOYSA-N -1 1 260.680 3.295 20 0 CGADMM Cc1cncc2cccc([N-]S(=O)(=O)c3ccccc3)c12 ZINC001251146031 805855087 /nfs/dbraw/zinc/85/50/87/805855087.db2.gz BXAZUIVBXDKGAQ-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM Cc1cscc1C(=O)Nc1ccc([O-])c(F)c1F ZINC001157805742 805874761 /nfs/dbraw/zinc/87/47/61/805874761.db2.gz NUNUNBXBQFJGCY-UHFFFAOYSA-N -1 1 269.272 3.293 20 0 CGADMM COc1cccc2[nH]c(-c3ccc(F)c([O-])c3)nc21 ZINC001251476907 805899464 /nfs/dbraw/zinc/89/94/64/805899464.db2.gz DPKFUFUXXKQBTP-UHFFFAOYSA-N -1 1 258.252 3.083 20 0 CGADMM Fc1ccc2[n-]c(C3OC=CC3=S)nc2c1F ZINC001251547085 805906492 /nfs/dbraw/zinc/90/64/92/805906492.db2.gz ZSVOOVDBBCZFSQ-UHFFFAOYSA-N -1 1 252.245 3.390 20 0 CGADMM S=C1C=COC1c1nc2cc3c(cc2[n-]1)OCCCO3 ZINC001251546862 805906836 /nfs/dbraw/zinc/90/68/36/805906836.db2.gz QTAKVVPNBULQHN-UHFFFAOYSA-N -1 1 288.328 3.273 20 0 CGADMM CC(=O)Nc1ccc2nc(C3OC=CC3=S)[n-]c2c1 ZINC001251546933 805907104 /nfs/dbraw/zinc/90/71/04/805907104.db2.gz VPBNIJGZEBRZKA-UHFFFAOYSA-N -1 1 273.317 3.070 20 0 CGADMM CC(=O)Nc1ccc2[n-]c(C3OC=CC3=S)nc2c1 ZINC001251546933 805907115 /nfs/dbraw/zinc/90/71/15/805907115.db2.gz VPBNIJGZEBRZKA-UHFFFAOYSA-N -1 1 273.317 3.070 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1-c1nc2ccc(N(C)C)cc2[nH]1 ZINC001251711144 805922351 /nfs/dbraw/zinc/92/23/51/805922351.db2.gz YYBDERBOLZPDBR-UHFFFAOYSA-N -1 1 295.342 3.303 20 0 CGADMM CCCC[C@H](O)CNc1cc([O-])c(Cl)cc1F ZINC001252096603 805992689 /nfs/dbraw/zinc/99/26/89/805992689.db2.gz JWQSXZWXLAFHDM-QMMMGPOBSA-N -1 1 261.724 3.148 20 0 CGADMM CN(C)c1ccc(-c2nnc(-c3cccc([O-])c3F)o2)cc1 ZINC001252358087 806040368 /nfs/dbraw/zinc/04/03/68/806040368.db2.gz NLPYJMLXMRKERY-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM Cc1cnccc1/C=C\C(=O)Nc1cc([O-])c(F)cc1F ZINC001160917885 806321817 /nfs/dbraw/zinc/32/18/17/806321817.db2.gz VOTVROSESJSZGO-IHWYPQMZSA-N -1 1 290.269 3.026 20 0 CGADMM CCCc1nnc(-c2cc(Br)c(C)cc2[O-])o1 ZINC001254031931 806331651 /nfs/dbraw/zinc/33/16/51/806331651.db2.gz ODNFOKNVAHFRHW-UHFFFAOYSA-N -1 1 297.152 3.466 20 0 CGADMM CC1(C)CCC[C@H](CNC(=O)c2cc(F)ccc2[O-])C1 ZINC001161932084 806486077 /nfs/dbraw/zinc/48/60/77/806486077.db2.gz FLKRBRDHHLSJKL-NSHDSACASA-N -1 1 279.355 3.478 20 0 CGADMM CCC(CC)(CC)NC(=O)c1cc(F)ccc1[O-] ZINC000128676772 799020060 /nfs/dbraw/zinc/02/00/60/799020060.db2.gz GYAHMZALYPPXCL-UHFFFAOYSA-N -1 1 253.317 3.230 20 0 CGADMM COc1cccc(NC(=O)Nc2cc(F)c([O-])c(F)c2)c1 ZINC000168890712 799087293 /nfs/dbraw/zinc/08/72/93/799087293.db2.gz QEXCDSWJPMBUCA-UHFFFAOYSA-N -1 1 294.257 3.323 20 0 CGADMM O=C1[N-]C(=S)SC1=Cc1cccc2c1OCCCO2 ZINC000208027087 799132543 /nfs/dbraw/zinc/13/25/43/799132543.db2.gz BDDBHWIXJZMLQG-JXMROGBWSA-N -1 1 293.369 3.177 20 0 CGADMM Cc1ccnc(CNCc2cccc([O-])c2Cl)c1 ZINC000386000542 799430228 /nfs/dbraw/zinc/43/02/28/799430228.db2.gz TVMNZUGCRIVRAO-UHFFFAOYSA-N -1 1 262.740 3.039 20 0 CGADMM Cc1ccc(O)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000389020364 799458593 /nfs/dbraw/zinc/45/85/93/799458593.db2.gz ZBUWJRVCJIPBPL-UHFFFAOYSA-N -1 1 277.707 3.312 20 0 CGADMM COc1cccc([O-])c1C(=O)Nc1ccc2ncccc2c1 ZINC000405306056 799582874 /nfs/dbraw/zinc/58/28/74/799582874.db2.gz KSUHMBUTNIYYGZ-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(O)c2)c(C)c1 ZINC000705572865 799951430 /nfs/dbraw/zinc/95/14/30/799951430.db2.gz NDSKZRHMBTZITA-UHFFFAOYSA-N -1 1 291.372 3.118 20 0 CGADMM Cc1cc(O)cc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000705573374 799951493 /nfs/dbraw/zinc/95/14/93/799951493.db2.gz GQHIGTMSHXERHR-UHFFFAOYSA-N -1 1 297.763 3.155 20 0 CGADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])C1(C)CC1 ZINC000706228998 799958819 /nfs/dbraw/zinc/95/88/19/799958819.db2.gz JDQPCTSRDVNPMC-LLVKDONJSA-N -1 1 269.344 3.464 20 0 CGADMM CS[C@H]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000707342295 799976159 /nfs/dbraw/zinc/97/61/59/799976159.db2.gz FVKJPCYQEKKSGB-QWRGUYRKSA-N -1 1 299.823 3.402 20 0 CGADMM Cc1oc(CN2CCc3ccsc3[C@H]2C)cc1C(=O)[O-] ZINC000712340986 800083646 /nfs/dbraw/zinc/08/36/46/800083646.db2.gz KWNYLGGNFXERDM-SECBINFHSA-N -1 1 291.372 3.467 20 0 CGADMM Cc1csc(C)c1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC000725109997 800372919 /nfs/dbraw/zinc/37/29/19/800372919.db2.gz SPUXFXUGELPHFQ-UHFFFAOYSA-N -1 1 299.421 3.012 20 0 CGADMM CCCOc1ccnc(NCc2ccc([O-])c(Cl)c2)n1 ZINC001164061022 806882814 /nfs/dbraw/zinc/88/28/14/806882814.db2.gz MPJFBLJEWUBSRA-UHFFFAOYSA-N -1 1 293.754 3.237 20 0 CGADMM COc1cc(-c2nnc(CC(C)C)o2)cc(Cl)c1[O-] ZINC001256512780 806908538 /nfs/dbraw/zinc/90/85/38/806908538.db2.gz VENCGBJZATTZMD-UHFFFAOYSA-N -1 1 282.727 3.303 20 0 CGADMM C[C@@H]1C[C@H]1c1nnc(-c2ccc3cccnc3c2[O-])o1 ZINC001256627775 806932048 /nfs/dbraw/zinc/93/20/48/806932048.db2.gz YSZJWTXCHWKFOS-LDYMZIIASA-N -1 1 267.288 3.114 20 0 CGADMM CSc1ccncc1[N-]C(=O)c1nccc(Cl)c1F ZINC001116682132 802395489 /nfs/dbraw/zinc/39/54/89/802395489.db2.gz JDAVHXBWAPMBRQ-UHFFFAOYSA-N -1 1 297.742 3.243 20 0 CGADMM Cc1cc(Cl)cc(C)c1NC(=O)c1cncc([O-])c1 ZINC001116988897 802433129 /nfs/dbraw/zinc/43/31/29/802433129.db2.gz FKGXNEHVDCBEKE-UHFFFAOYSA-N -1 1 276.723 3.310 20 0 CGADMM O=C([O-])CCc1ccc(-c2nccc3[nH]ccc32)cc1 ZINC001244185897 803232629 /nfs/dbraw/zinc/23/26/29/803232629.db2.gz FCRXRHGJKWWVHV-UHFFFAOYSA-N -1 1 266.300 3.247 20 0 CGADMM Cc1cc(-c2nccc3c2ncn3C)cc(Cl)c1[O-] ZINC001244530820 803421605 /nfs/dbraw/zinc/42/16/05/803421605.db2.gz UIBMAVVFGXNFKR-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM Cc1cc(-c2nccc3nccnc32)cc(Cl)c1[O-] ZINC001244530634 803421892 /nfs/dbraw/zinc/42/18/92/803421892.db2.gz PRDVSYYTXMSVIX-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM COC(=O)c1cnc(-c2cc(C)c([O-])c(Cl)c2)c(F)c1 ZINC001244531544 803422944 /nfs/dbraw/zinc/42/29/44/803422944.db2.gz KWRACBMAIWAOEE-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM Cc1cc(-c2ncc(F)c3nccnc32)cc(Cl)c1[O-] ZINC001244536864 803423588 /nfs/dbraw/zinc/42/35/88/803423588.db2.gz QCFIAGQSRWPZEF-UHFFFAOYSA-N -1 1 289.697 3.498 20 0 CGADMM COCc1cc(-c2c(Cl)ccc([O-])c2F)nc(C)n1 ZINC001244538483 803426213 /nfs/dbraw/zinc/42/62/13/803426213.db2.gz OKRNHMREIAEXBM-UHFFFAOYSA-N -1 1 282.702 3.097 20 0 CGADMM CCOc1ccnc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244538950 803427228 /nfs/dbraw/zinc/42/72/28/803427228.db2.gz RVWVZPGGOLVGCJ-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM COc1cnc(F)c(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244539928 803428036 /nfs/dbraw/zinc/42/80/36/803428036.db2.gz NUILRXLHYRQJDI-UHFFFAOYSA-N -1 1 271.650 3.394 20 0 CGADMM CCN(CC)c1ncc(-c2c(Cl)ccc([O-])c2F)cn1 ZINC001244543106 803429224 /nfs/dbraw/zinc/42/92/24/803429224.db2.gz SYUVAYVAJSJALR-UHFFFAOYSA-N -1 1 295.745 3.488 20 0 CGADMM CCn1cccc(-c2cc(C)c([O-])c(Cl)c2)c1=O ZINC001244548219 803432871 /nfs/dbraw/zinc/43/28/71/803432871.db2.gz YEEIQCTUDBNQFR-UHFFFAOYSA-N -1 1 263.724 3.203 20 0 CGADMM Cc1cc(-c2ccc([S@@](C)=O)cn2)cc(Cl)c1[O-] ZINC001244551287 803433763 /nfs/dbraw/zinc/43/37/63/803433763.db2.gz WQLCHXSWJSKXGF-GOSISDBHSA-N -1 1 281.764 3.153 20 0 CGADMM COc1ccc(Nc2cc([O-])c(Cl)cc2F)c(CO)c1 ZINC001211745451 814940487 /nfs/dbraw/zinc/94/04/87/814940487.db2.gz ZBWZUGVSXIQHRZ-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2ccc3n[nH]cc3c2)c1 ZINC001136140119 803632513 /nfs/dbraw/zinc/63/25/13/803632513.db2.gz IMHDBTDSTFZINY-UHFFFAOYSA-N -1 1 299.355 3.243 20 0 CGADMM Cc1cccc([C@@H](NC(=O)c2cnncc2O)C(C)(C)C)c1 ZINC001136356038 803640570 /nfs/dbraw/zinc/64/05/70/803640570.db2.gz NSOYEUZBMFMIOB-OAHLLOKOSA-N -1 1 299.374 3.008 20 0 CGADMM Cc1cccc([C@@H](NC(=O)c2cnncc2[O-])C(C)(C)C)c1 ZINC001136356038 803640574 /nfs/dbraw/zinc/64/05/74/803640574.db2.gz NSOYEUZBMFMIOB-OAHLLOKOSA-N -1 1 299.374 3.008 20 0 CGADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001136500336 803645638 /nfs/dbraw/zinc/64/56/38/803645638.db2.gz MBLDKESWJPNRPU-CQSZACIVSA-N -1 1 299.345 3.469 20 0 CGADMM Cc1cccc([C@H]2CCCN2C(=O)c2ccc([O-])cn2)c1C ZINC001136907365 803660188 /nfs/dbraw/zinc/66/01/88/803660188.db2.gz ILVHIQAUVCUUAQ-QGZVFWFLSA-N -1 1 296.370 3.381 20 0 CGADMM CC(=O)Oc1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001212077915 814973170 /nfs/dbraw/zinc/97/31/70/814973170.db2.gz GNRZQYHWKKMMCD-UHFFFAOYSA-N -1 1 279.242 3.339 20 0 CGADMM COC(=O)c1cc(C)cnc1-c1c(F)ccc([O-])c1Cl ZINC001245826267 803981555 /nfs/dbraw/zinc/98/15/55/803981555.db2.gz HZFGXYRAGUTTLB-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CN(C)c1ccc(-c2c(F)ccc([O-])c2Cl)nc1 ZINC001245830752 803985139 /nfs/dbraw/zinc/98/51/39/803985139.db2.gz XBZZTJNJANBVIS-UHFFFAOYSA-N -1 1 266.703 3.313 20 0 CGADMM COC(=O)c1cc(F)ncc1-c1c(F)ccc([O-])c1Cl ZINC001245832043 803987383 /nfs/dbraw/zinc/98/73/83/803987383.db2.gz SMVAXEFXMFXIDC-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM COc1cncc(OC)c1-c1c(F)ccc([O-])c1Cl ZINC001245832664 803988765 /nfs/dbraw/zinc/98/87/65/803988765.db2.gz RGZAZDPXIVXREL-UHFFFAOYSA-N -1 1 283.686 3.264 20 0 CGADMM O=C1Cc2cc(-c3c(F)ccc([O-])c3Cl)ccc2N1 ZINC001245832857 803988878 /nfs/dbraw/zinc/98/88/78/803988878.db2.gz OLDDLHVWUFXKNZ-UHFFFAOYSA-N -1 1 277.682 3.346 20 0 CGADMM O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc([O-])cn1 ZINC001140102339 804377023 /nfs/dbraw/zinc/37/70/23/804377023.db2.gz HWNICBDCYZGUMZ-LSDHHAIUSA-N -1 1 296.370 3.243 20 0 CGADMM [O-]c1ccc(CN2CCCC(F)(F)CC2)c(F)c1F ZINC001140890186 804542735 /nfs/dbraw/zinc/54/27/35/804542735.db2.gz YCRJNGDHVGRKHM-UHFFFAOYSA-N -1 1 277.261 3.292 20 0 CGADMM [O-]c1ccc(CN2Cc3cccc(F)c3C2)c(F)c1F ZINC001140894470 804544701 /nfs/dbraw/zinc/54/47/01/804544701.db2.gz ZGCUXIYNQQCPNW-UHFFFAOYSA-N -1 1 279.261 3.325 20 0 CGADMM [O-]c1ccc(CN2CCC[C@H]2c2nccs2)c(F)c1F ZINC001140893208 804544817 /nfs/dbraw/zinc/54/48/17/804544817.db2.gz KVDIOZVJHVIKFS-JTQLQIEISA-N -1 1 296.342 3.464 20 0 CGADMM [O-]c1ccc(CN2CCC[C@@H]2c2nccs2)c(F)c1F ZINC001140893209 804545492 /nfs/dbraw/zinc/54/54/92/804545492.db2.gz KVDIOZVJHVIKFS-SNVBAGLBSA-N -1 1 296.342 3.464 20 0 CGADMM [O-]c1c(F)cc(CN2Cc3cccc(F)c3C2)cc1F ZINC001140991239 804562710 /nfs/dbraw/zinc/56/27/10/804562710.db2.gz JFTVLGZKNDLRFJ-UHFFFAOYSA-N -1 1 279.261 3.325 20 0 CGADMM CN(Cc1ccc(Cl)nc1)Cc1cc(F)c([O-])c(F)c1 ZINC001140991121 804562729 /nfs/dbraw/zinc/56/27/29/804562729.db2.gz YLJLKLQZVLSSAN-UHFFFAOYSA-N -1 1 298.720 3.351 20 0 CGADMM CN(Cc1cc(F)c([O-])c(F)c1)Cc1ccccc1F ZINC001140990048 804564145 /nfs/dbraw/zinc/56/41/45/804564145.db2.gz JLDGHKCKNWRWFV-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM CCC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001141827273 804671032 /nfs/dbraw/zinc/67/10/32/804671032.db2.gz BBYLVPDOZITGAN-MRVPVSSYSA-N -1 1 275.270 3.329 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccc(F)s1 ZINC001141833771 804671573 /nfs/dbraw/zinc/67/15/73/804671573.db2.gz MDXJJVUUHXWMHL-UHFFFAOYSA-N -1 1 273.235 3.123 20 0 CGADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccccn1 ZINC001141867736 804675778 /nfs/dbraw/zinc/67/57/78/804675778.db2.gz FCVBOYRRDNSMPU-NSHDSACASA-N -1 1 290.750 3.322 20 0 CGADMM CCCCC1CCC(NC(=O)c2ncccc2[O-])CC1 ZINC001142129185 804697698 /nfs/dbraw/zinc/69/76/98/804697698.db2.gz WUWWMNQYMTUOFQ-UHFFFAOYSA-N -1 1 276.380 3.266 20 0 CGADMM Cc1c(F)cc(-c2noc(-c3ncccc3[O-])n2)cc1F ZINC001212480799 815035106 /nfs/dbraw/zinc/03/51/06/815035106.db2.gz JJAYNOYIEZBPKX-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2ccc3occc3c2)no1 ZINC001212481018 815036081 /nfs/dbraw/zinc/03/60/81/815036081.db2.gz VQFOQKPBJGGHFX-UHFFFAOYSA-N -1 1 279.255 3.250 20 0 CGADMM CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142541583 804735035 /nfs/dbraw/zinc/73/50/35/804735035.db2.gz CGIXSHPREDTZBP-WPRPVWTQSA-N -1 1 269.291 3.435 20 0 CGADMM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001142772867 804767105 /nfs/dbraw/zinc/76/71/05/804767105.db2.gz CARWCCDRHJDWEI-GOEBONIOSA-N -1 1 297.354 3.169 20 0 CGADMM CCc1cc(=O)[n-]c(SC[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 ZINC001166030656 807032430 /nfs/dbraw/zinc/03/24/30/807032430.db2.gz RZOSMUNFFILFPB-WOPDTQHZSA-N -1 1 276.405 3.439 20 0 CGADMM Cc1cc([C@H]2CCCN2Cc2c(F)cc([O-])cc2F)no1 ZINC001144541440 805002154 /nfs/dbraw/zinc/00/21/54/805002154.db2.gz FRNMPGZBBFAXQQ-OAHLLOKOSA-N -1 1 294.301 3.304 20 0 CGADMM C[C@@]1(F)CCCCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144648792 805022084 /nfs/dbraw/zinc/02/20/84/805022084.db2.gz XFXBTLPKXDHZLZ-CQSZACIVSA-N -1 1 273.298 3.385 20 0 CGADMM COc1cc(C)c(C)cc1NC(=O)c1ccccc1[O-] ZINC001147064845 805105529 /nfs/dbraw/zinc/10/55/29/805105529.db2.gz LRFBVNPKNUJQDR-UHFFFAOYSA-N -1 1 271.316 3.270 20 0 CGADMM Cc1cncc(NC(=O)c2ccc3ccc(O)cc3c2[O-])c1 ZINC001148778150 805209461 /nfs/dbraw/zinc/20/94/61/805209461.db2.gz BHAGUXYGTUWAKP-UHFFFAOYSA-N -1 1 294.310 3.207 20 0 CGADMM CC(C)[C@@H](NC(=O)c1cccc([O-])c1F)c1ccccn1 ZINC001149743556 805242767 /nfs/dbraw/zinc/24/27/67/805242767.db2.gz ABBKMNHIPWTYSK-OAHLLOKOSA-N -1 1 288.322 3.053 20 0 CGADMM COc1ccc(C(=O)Cc2cccc(Cl)c2[O-])cc1 ZINC001249904719 805295020 /nfs/dbraw/zinc/29/50/20/805295020.db2.gz YHRYWCZHFIUPTM-UHFFFAOYSA-N -1 1 276.719 3.480 20 0 CGADMM O=C(N[C@@]12C[C@@H]1CCCC2)c1ncc2ccccc2c1[O-] ZINC001151545082 805297562 /nfs/dbraw/zinc/29/75/62/805297562.db2.gz NFHQUMYNYBOPAU-SJCJKPOMSA-N -1 1 282.343 3.003 20 0 CGADMM [O-]c1cc(Nc2ccn3nccc3c2)c(F)c(F)c1F ZINC001249960333 805327454 /nfs/dbraw/zinc/32/74/54/805327454.db2.gz BULBBHQVVLXOMB-UHFFFAOYSA-N -1 1 279.221 3.201 20 0 CGADMM CC(=O)c1cc(Nc2cc([O-])c(F)c(F)c2F)cnc1C ZINC001249961156 805328449 /nfs/dbraw/zinc/32/84/49/805328449.db2.gz ITPLYHHDOLQSHU-UHFFFAOYSA-N -1 1 296.248 3.459 20 0 CGADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2F)c(CO)c1 ZINC001249964434 805333727 /nfs/dbraw/zinc/33/37/27/805333727.db2.gz DOJVWXIZPIYIHY-UHFFFAOYSA-N -1 1 299.248 3.054 20 0 CGADMM COc1ccc(Nc2cc(Cl)c([O-])cc2F)cn1 ZINC001250017743 805370572 /nfs/dbraw/zinc/37/05/72/805370572.db2.gz HSWUCBHAQQSVER-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM [O-]c1c(Cl)cc(CCN2CCCC2)cc1Cl ZINC001250166834 805455566 /nfs/dbraw/zinc/45/55/66/805455566.db2.gz SNTCVFIVNUNPEQ-UHFFFAOYSA-N -1 1 260.164 3.337 20 0 CGADMM [O-]c1ccc(F)c(Nc2cccnc2F)c1Cl ZINC001250228320 805505040 /nfs/dbraw/zinc/50/50/40/805505040.db2.gz WOQVUMINHRULAV-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM COc1ccc(Nc2c(F)ccc([O-])c2Cl)cn1 ZINC001250228334 805505110 /nfs/dbraw/zinc/50/51/10/805505110.db2.gz XIGSNAYOQKXOKY-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM O=C1Cc2cc(Nc3c(F)ccc([O-])c3Cl)ccc2N1 ZINC001250233531 805508154 /nfs/dbraw/zinc/50/81/54/805508154.db2.gz QRBOWLRHQRWQLX-UHFFFAOYSA-N -1 1 292.697 3.423 20 0 CGADMM Cc1ccc(C(N)=O)c(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250232629 805508319 /nfs/dbraw/zinc/50/83/19/805508319.db2.gz UDASTEYYIGMBSR-UHFFFAOYSA-N -1 1 294.713 3.336 20 0 CGADMM CC(C)N(c1ncc(N)cn1)c1c(F)ccc([O-])c1Cl ZINC001250234707 805509738 /nfs/dbraw/zinc/50/97/38/805509738.db2.gz VJDZYWINBIKMCA-UHFFFAOYSA-N -1 1 296.733 3.103 20 0 CGADMM NC(=O)c1ccc(Nc2c(F)ccc([O-])c2Cl)cc1F ZINC001250237484 805513775 /nfs/dbraw/zinc/51/37/75/805513775.db2.gz JKBFATAKILZFOU-UHFFFAOYSA-N -1 1 298.676 3.166 20 0 CGADMM CC(C)(C)CC(C)(C)NC(=O)c1[n-][nH]c2cc(=O)ccc1-2 ZINC001155269867 805564604 /nfs/dbraw/zinc/56/46/04/805564604.db2.gz SBHZGIGQAWWTDR-UHFFFAOYSA-N -1 1 289.379 3.213 20 0 CGADMM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3ccncc3[O-])o2)cc1 ZINC001257295209 807090618 /nfs/dbraw/zinc/09/06/18/807090618.db2.gz LOJGHRMXYHNYAF-UONOGXRCSA-N -1 1 293.326 3.417 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2cccc3ccncc32)no1 ZINC001212721201 815113693 /nfs/dbraw/zinc/11/36/93/815113693.db2.gz CWIDMBHVGAOWAU-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM CC(C)Oc1ccccc1-c1noc(-c2ccncc2[O-])n1 ZINC001212721470 815114359 /nfs/dbraw/zinc/11/43/59/815114359.db2.gz SAMFFPMZFAYDKV-UHFFFAOYSA-N -1 1 297.314 3.291 20 0 CGADMM CC(C)CCc1nnc(-c2cc([O-])cc(F)c2)o1 ZINC001258351047 807424007 /nfs/dbraw/zinc/42/40/07/807424007.db2.gz XJHSNIJKUHEZLD-UHFFFAOYSA-N -1 1 250.273 3.170 20 0 CGADMM O=S(=O)([N-]c1ccccc1)c1cccc(OC(F)F)c1 ZINC001259436901 807678269 /nfs/dbraw/zinc/67/82/69/807678269.db2.gz BCFZTYSJXOIPOD-UHFFFAOYSA-N -1 1 299.298 3.089 20 0 CGADMM Cc1cc(C)nc([N-]S(=O)(=O)CC2CCCCC2)c1 ZINC001259613178 807682364 /nfs/dbraw/zinc/68/23/64/807682364.db2.gz XJFJHWNZJQDTQT-UHFFFAOYSA-N -1 1 282.409 3.020 20 0 CGADMM CC(C)C[C@H]([N-]S(=O)(=O)C(F)F)c1ccc(F)cc1 ZINC001259961699 807694949 /nfs/dbraw/zinc/69/49/49/807694949.db2.gz RJCAPXCATGWCIB-NSHDSACASA-N -1 1 295.326 3.055 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1ccc(Cl)cc1C(C)=O ZINC001260740036 807703180 /nfs/dbraw/zinc/70/31/80/807703180.db2.gz ODAOJVMYLDLROX-QMMMGPOBSA-N -1 1 289.784 3.083 20 0 CGADMM Cc1cc(F)ncc1Nc1ccnc(Cl)c1[O-] ZINC001212814413 815145474 /nfs/dbraw/zinc/14/54/74/815145474.db2.gz AOZUHNLWIBQNHY-UHFFFAOYSA-N -1 1 253.664 3.027 20 0 CGADMM CCc1c(Cl)cc(Nc2cnc(N)nc2)c([O-])c1Cl ZINC001212966290 815190539 /nfs/dbraw/zinc/19/05/39/815190539.db2.gz PORLEAQRMRQRIN-UHFFFAOYSA-N -1 1 299.161 3.377 20 0 CGADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cccc(C)c2)c1 ZINC001173807732 808682643 /nfs/dbraw/zinc/68/26/43/808682643.db2.gz BIVBRNYQEMPBGH-UHFFFAOYSA-N -1 1 291.372 3.238 20 0 CGADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccccc2C)c1 ZINC001173815204 808685563 /nfs/dbraw/zinc/68/55/63/808685563.db2.gz POYFZOMUQUSEGJ-UHFFFAOYSA-N -1 1 291.372 3.238 20 0 CGADMM COc1ccccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001173838041 808700649 /nfs/dbraw/zinc/70/06/49/808700649.db2.gz AFIADNJSYGYYPQ-UHFFFAOYSA-N -1 1 283.283 3.251 20 0 CGADMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1cncc2ccccc21 ZINC001174099590 808864675 /nfs/dbraw/zinc/86/46/75/808864675.db2.gz CVGKBWLJORLJCU-UHFFFAOYSA-N -1 1 299.315 3.161 20 0 CGADMM CCOc1c(Cl)cc([N-]c2nonc2N)cc1Cl ZINC001174534190 809065856 /nfs/dbraw/zinc/06/58/56/809065856.db2.gz OCDMEWZAPXVGMK-UHFFFAOYSA-N -1 1 289.122 3.101 20 0 CGADMM COc1ccc(C(F)(F)F)cc1[N-]c1nnc(C)o1 ZINC001174774572 809161050 /nfs/dbraw/zinc/16/10/50/809161050.db2.gz OSAWUKUHAIOGCR-UHFFFAOYSA-N -1 1 273.214 3.149 20 0 CGADMM COCc1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001174920042 809200400 /nfs/dbraw/zinc/20/04/00/809200400.db2.gz PXNGUHIZZUCSQY-UHFFFAOYSA-N -1 1 264.712 3.331 20 0 CGADMM Cc1cc(Nc2ccc(CC(=O)[O-])cc2)c2ccccc2n1 ZINC001174950517 809212337 /nfs/dbraw/zinc/21/23/37/809212337.db2.gz ZWZIMKVNGDDCIJ-UHFFFAOYSA-N -1 1 292.338 3.336 20 0 CGADMM CCOc1ccc(C)cc1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001175124427 809281046 /nfs/dbraw/zinc/28/10/46/809281046.db2.gz PMFSOZUJZFWPJK-UHFFFAOYSA-N -1 1 283.331 3.020 20 0 CGADMM Cn1ncc2c1cccc2Nc1ccnc(Cl)c1[O-] ZINC001175434036 809403332 /nfs/dbraw/zinc/40/33/32/809403332.db2.gz BGZORPPCQAYTSV-UHFFFAOYSA-N -1 1 274.711 3.071 20 0 CGADMM O=C(NCc1cccc(Cl)c1Cl)c1ccc([O-])cn1 ZINC001290733690 809413990 /nfs/dbraw/zinc/41/39/90/809413990.db2.gz XGKVYWBEEFRLNI-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM C[S@](=O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001175481878 809423549 /nfs/dbraw/zinc/42/35/49/809423549.db2.gz HSHBCMDQCYNBRJ-IBGZPJMESA-N -1 1 283.299 3.151 20 0 CGADMM CCNC(=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001175630850 809481011 /nfs/dbraw/zinc/48/10/11/809481011.db2.gz BJWHCIBADIXLAD-UHFFFAOYSA-N -1 1 292.285 3.164 20 0 CGADMM CSc1ccc(CNC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001296622661 809506559 /nfs/dbraw/zinc/50/65/59/809506559.db2.gz RCJAYSBQYZXFIU-UHFFFAOYSA-N -1 1 291.347 3.183 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc(F)ccc1F ZINC001297820467 809523315 /nfs/dbraw/zinc/52/33/15/809523315.db2.gz OWPCORHAYVPHJT-UHFFFAOYSA-N -1 1 285.196 3.201 20 0 CGADMM CCS(=O)(=O)c1ccc([O-])c(N=C2CCCCC2)c1 ZINC001175752746 809531785 /nfs/dbraw/zinc/53/17/85/809531785.db2.gz ZFXHUTIAKDJDMR-UHFFFAOYSA-N -1 1 281.377 3.056 20 0 CGADMM CCS(=O)(=O)c1ccc([O-])c(NC2=CCCCC2)c1 ZINC001175752746 809531789 /nfs/dbraw/zinc/53/17/89/809531789.db2.gz ZFXHUTIAKDJDMR-UHFFFAOYSA-N -1 1 281.377 3.056 20 0 CGADMM Cc1nnc([N-]c2ccc(-c3ccccc3)nc2)o1 ZINC001175832245 809551087 /nfs/dbraw/zinc/55/10/87/809551087.db2.gz CQMLIBYTCVCCAP-UHFFFAOYSA-N -1 1 252.277 3.184 20 0 CGADMM Cc1cccc(C(=O)Nc2cc(F)cc(F)c2[O-])c1F ZINC001299581968 809551886 /nfs/dbraw/zinc/55/18/86/809551886.db2.gz WBEBUIIPIZEQSN-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM Cc1ccncc1/C=C/C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001299582169 809552295 /nfs/dbraw/zinc/55/22/95/809552295.db2.gz XBBUBYMYORASTI-NSCUHMNNSA-N -1 1 290.269 3.026 20 0 CGADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)[C@H]1CC2CCC1CC2 ZINC001300206142 809563063 /nfs/dbraw/zinc/56/30/63/809563063.db2.gz DRPIUQIZESBKNB-MLCFOIATSA-N -1 1 291.366 3.476 20 0 CGADMM O=C(c1ccc([O-])cn1)N1CCC[C@H](C2CCCCC2)C1 ZINC001301405316 809584346 /nfs/dbraw/zinc/58/43/46/809584346.db2.gz GBJQUAAWUPEFNM-AWEZNQCLSA-N -1 1 288.391 3.220 20 0 CGADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC001302411955 809593167 /nfs/dbraw/zinc/59/31/67/809593167.db2.gz GLMHJANCAWUCQU-PVTKRXDGSA-N -1 1 299.370 3.087 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ncsc1C1CC1 ZINC001302485764 809595530 /nfs/dbraw/zinc/59/55/30/809595530.db2.gz LKGVJGGCFZPNFV-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM CNc1ccc(C(=O)Nc2cccc(F)c2[O-])c(Cl)c1 ZINC001302487161 809595837 /nfs/dbraw/zinc/59/58/37/809595837.db2.gz WIQYZJMJZKEBDG-UHFFFAOYSA-N -1 1 294.713 3.479 20 0 CGADMM COc1nonc1[N-]c1ccc(Oc2ccccc2)nc1 ZINC001176374173 809681976 /nfs/dbraw/zinc/68/19/76/809681976.db2.gz PUKBUSJCYNOQEX-UHFFFAOYSA-N -1 1 284.275 3.009 20 0 CGADMM CCOc1cc(Nc2ccc(F)c(F)c2[O-])c(F)cn1 ZINC001176605132 809729546 /nfs/dbraw/zinc/72/95/46/809729546.db2.gz LUXOUFBMYJDYLR-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM CCn1ncc(Nc2c(F)cc(F)c([O-])c2F)c1C ZINC001176664412 809738771 /nfs/dbraw/zinc/73/87/71/809738771.db2.gz YHJPQGSAYMWQSH-UHFFFAOYSA-N -1 1 271.242 3.078 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccc3c2OCO3)c1F ZINC001176669079 809738813 /nfs/dbraw/zinc/73/88/13/809738813.db2.gz DBKNWIRHTGBLAD-UHFFFAOYSA-N -1 1 283.205 3.282 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc3c(c2)OCCO3)c1F ZINC001176669787 809738836 /nfs/dbraw/zinc/73/88/36/809738836.db2.gz KRGGPSCVCKRJPS-UHFFFAOYSA-N -1 1 297.232 3.324 20 0 CGADMM Cn1ncc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc21 ZINC001176670543 809740023 /nfs/dbraw/zinc/74/00/23/809740023.db2.gz YLHIOVIUGGIWHY-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM O=C([N-]Oc1ccccc1F)C1CCCCCC1 ZINC001177109762 809780921 /nfs/dbraw/zinc/78/09/21/809780921.db2.gz PIRSDVZZXPNXQL-UHFFFAOYSA-N -1 1 251.301 3.206 20 0 CGADMM Cc1cc(F)ccc1[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC001177321058 809794143 /nfs/dbraw/zinc/79/41/43/809794143.db2.gz HFKDDHPAZFHZEI-JTQLQIEISA-N -1 1 291.297 3.470 20 0 CGADMM Cc1nn(C)c2cc(Nc3ccnc(Cl)c3[O-])ccc12 ZINC001213757197 815328042 /nfs/dbraw/zinc/32/80/42/815328042.db2.gz WHPPKUANNQBHQP-UHFFFAOYSA-N -1 1 288.738 3.379 20 0 CGADMM Cc1cc(C2CC2)ccc1-n1[n-]c(=O)c2cc(N)ccc21 ZINC001213864365 815340946 /nfs/dbraw/zinc/34/09/46/815340946.db2.gz FMNRSMIJESGEGA-UHFFFAOYSA-N -1 1 279.343 3.499 20 0 CGADMM O=C(C[C@@H]1OCc2ccccc21)Nc1ccc(F)cc1[O-] ZINC001183054769 810136217 /nfs/dbraw/zinc/13/62/17/810136217.db2.gz SVASHBXZOAHHKG-HNNXBMFYSA-N -1 1 287.290 3.131 20 0 CGADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCCCC1(F)F ZINC001183209554 810140308 /nfs/dbraw/zinc/14/03/08/810140308.db2.gz BVYWZYNILNREOI-ZETCQYMHSA-N -1 1 290.697 3.205 20 0 CGADMM C[C@@H]1CCC[C@H](C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC001184504357 810204394 /nfs/dbraw/zinc/20/43/94/810204394.db2.gz UVNSSWNLXZZKGI-OLZOCXBDSA-N -1 1 299.374 3.343 20 0 CGADMM O=C(NCc1cccc(C(F)F)c1)c1ccc([O-])c(F)c1 ZINC001186237730 810322774 /nfs/dbraw/zinc/32/27/74/810322774.db2.gz XULJBJCGCZASQJ-UHFFFAOYSA-N -1 1 295.260 3.399 20 0 CGADMM CCc1ccc(NC(=O)c2c(F)ccc([O-])c2F)c(O)c1 ZINC001192538740 810806012 /nfs/dbraw/zinc/80/60/12/810806012.db2.gz AHIGZTSXMXZNSL-UHFFFAOYSA-N -1 1 293.269 3.191 20 0 CGADMM C=Cc1ccc(CNC(=O)c2cc([O-])cc(F)c2F)cc1 ZINC001192678429 810814885 /nfs/dbraw/zinc/81/48/85/810814885.db2.gz AREKEJRQNGEVNB-UHFFFAOYSA-N -1 1 289.281 3.243 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])N[C@@H]1CCc2ccccc21 ZINC001192995624 810840632 /nfs/dbraw/zinc/84/06/32/810840632.db2.gz OQAWFEMPTORXJE-CYBMUJFWSA-N -1 1 286.306 3.340 20 0 CGADMM CCCCCNC(=O)Nc1ccc(Cl)cc1[O-] ZINC001193326211 810872487 /nfs/dbraw/zinc/87/24/87/810872487.db2.gz PMVKJVJNDRBBCX-UHFFFAOYSA-N -1 1 256.733 3.357 20 0 CGADMM CCCCCOC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001193775604 810953871 /nfs/dbraw/zinc/95/38/71/810953871.db2.gz WXQPPYWBEXXFRE-UHFFFAOYSA-N -1 1 289.335 3.317 20 0 CGADMM O=C(Nc1ccccc1[S-])c1ccc(F)c(O)c1F ZINC001193785292 810955441 /nfs/dbraw/zinc/95/54/41/810955441.db2.gz ZEEYTWFFANZYNM-UHFFFAOYSA-N -1 1 281.283 3.211 20 0 CGADMM CCCCCCOC(=O)Nc1cc(=O)[n-]c(SC)n1 ZINC001194157979 811024047 /nfs/dbraw/zinc/02/40/47/811024047.db2.gz WYCPFTIGLSMJQI-UHFFFAOYSA-N -1 1 285.369 3.033 20 0 CGADMM CCn1cc(Nc2cc(F)c([O-])c(Cl)c2)c(C)n1 ZINC001214480511 815415260 /nfs/dbraw/zinc/41/52/60/815415260.db2.gz TXYDKXCCESPVBX-UHFFFAOYSA-N -1 1 269.707 3.453 20 0 CGADMM COC(=O)c1ccc(Nc2cc(F)c([O-])c(Cl)c2)cn1 ZINC001214480457 815415576 /nfs/dbraw/zinc/41/55/76/815415576.db2.gz QZTXJMFHGSDVEG-UHFFFAOYSA-N -1 1 296.685 3.110 20 0 CGADMM Cc1c[nH]c(=O)c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214482837 815416180 /nfs/dbraw/zinc/41/61/80/815416180.db2.gz QQXNKCHRVACXMW-UHFFFAOYSA-N -1 1 268.675 3.337 20 0 CGADMM O=C(Nc1cc(F)cc(F)c1[O-])Oc1ccccc1 ZINC001194254826 811042891 /nfs/dbraw/zinc/04/28/91/811042891.db2.gz XGJLNQJYOVMQGR-UHFFFAOYSA-N -1 1 265.215 3.281 20 0 CGADMM CC(C)N(c1cc(F)c([O-])c(Cl)c1)c1ncc(N)cn1 ZINC001214486390 815416673 /nfs/dbraw/zinc/41/66/73/815416673.db2.gz DTNPDZYEGWYTJD-UHFFFAOYSA-N -1 1 296.733 3.103 20 0 CGADMM Nc1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1O ZINC001214494298 815417553 /nfs/dbraw/zinc/41/75/53/815417553.db2.gz LJHLXQCPDGGXPC-UHFFFAOYSA-N -1 1 268.675 3.216 20 0 CGADMM COc1ccc(OC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC001194532075 811087552 /nfs/dbraw/zinc/08/75/52/811087552.db2.gz ORONZWMSQURFFT-UHFFFAOYSA-N -1 1 277.251 3.151 20 0 CGADMM O=S(=O)([N-]CCC1CC=CC1)c1cc2ccccc2o1 ZINC001194620347 811094847 /nfs/dbraw/zinc/09/48/47/811094847.db2.gz BWIHUHGXPYGHKR-UHFFFAOYSA-N -1 1 291.372 3.067 20 0 CGADMM CC(C)c1cccc(NC(=O)c2c[n-]c(C(F)(F)F)n2)n1 ZINC001194769955 811129268 /nfs/dbraw/zinc/12/92/68/811129268.db2.gz BJIKVBITGDKXSR-UHFFFAOYSA-N -1 1 298.268 3.199 20 0 CGADMM O=C(Nc1ccc2c(c1)N=NC2)c1c[n-]c(C(F)(F)F)n1 ZINC001194783116 811131874 /nfs/dbraw/zinc/13/18/74/811131874.db2.gz FOWNRVTZUCSUEU-UHFFFAOYSA-N -1 1 295.224 3.278 20 0 CGADMM COC(=O)c1cccc(Nc2c([O-])cc(F)cc2F)c1F ZINC001214578919 815426463 /nfs/dbraw/zinc/42/64/63/815426463.db2.gz LHBQKMHBMDTOHR-UHFFFAOYSA-N -1 1 297.232 3.340 20 0 CGADMM CC(C)(C)CC(C)(C)NC(=O)c1cc([O-])cnc1Cl ZINC001195312856 811241290 /nfs/dbraw/zinc/24/12/90/811241290.db2.gz LQZPATJKDCVEII-UHFFFAOYSA-N -1 1 284.787 3.385 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2cc(C)nc3sccc32)n1 ZINC001195324030 811242465 /nfs/dbraw/zinc/24/24/65/811242465.db2.gz ZPFWHGIOKWLMEA-UHFFFAOYSA-N -1 1 299.355 3.266 20 0 CGADMM Cc1ccc([O-])c(C(=O)Nc2ccc3c(C)ccnc3c2)n1 ZINC001195325959 811242640 /nfs/dbraw/zinc/24/26/40/811242640.db2.gz IVJXTBZFRPUUOV-UHFFFAOYSA-N -1 1 293.326 3.205 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(C)c(Cl)cc1C ZINC001195484012 811259614 /nfs/dbraw/zinc/25/96/14/811259614.db2.gz JALUSWLARKCQBG-UHFFFAOYSA-N -1 1 286.784 3.400 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1c(C)cc(C)cc1C ZINC001195487657 811259742 /nfs/dbraw/zinc/25/97/42/811259742.db2.gz XKBLQFZUKCVYAP-UHFFFAOYSA-N -1 1 266.366 3.055 20 0 CGADMM [O-]c1cnc(Cl)cc1NC(=S)NC1CCCCCC1 ZINC001199962562 811618493 /nfs/dbraw/zinc/61/84/93/811618493.db2.gz QPYRGWTUEYZXFY-UHFFFAOYSA-N -1 1 299.827 3.450 20 0 CGADMM CC(=O)c1cccc(Nc2cc(F)c([O-])cc2F)c1O ZINC001215574337 815538648 /nfs/dbraw/zinc/53/86/48/815538648.db2.gz RPUOHHZDMXIBLY-UHFFFAOYSA-N -1 1 279.242 3.322 20 0 CGADMM O=C1CCc2ccc(Nc3cc(F)c([O-])cc3F)cc2N1 ZINC001215574155 815538945 /nfs/dbraw/zinc/53/89/45/815538945.db2.gz YQRAJSIJSUSSQH-UHFFFAOYSA-N -1 1 290.269 3.299 20 0 CGADMM O=C1NCc2c(Nc3cc(F)c([O-])cc3F)cccc2N1 ZINC001215576765 815539405 /nfs/dbraw/zinc/53/94/05/815539405.db2.gz HRKNUADJFJYHDU-UHFFFAOYSA-N -1 1 291.257 3.049 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc4ccncc4c3)no2)nn1 ZINC001205299134 812938890 /nfs/dbraw/zinc/93/88/90/812938890.db2.gz KQKYHRUMQHBCDK-UHFFFAOYSA-N -1 1 291.270 3.008 20 0 CGADMM COc1ccc(Nc2ccnc(Cl)c2[O-])c2c[nH]nc21 ZINC001215748536 815573956 /nfs/dbraw/zinc/57/39/56/815573956.db2.gz IGLSYLYXMAXWLF-UHFFFAOYSA-N -1 1 290.710 3.069 20 0 CGADMM [O-]c1ccc(-c2nccc(-c3ccco3)n2)c(F)c1 ZINC001206029765 813171158 /nfs/dbraw/zinc/17/11/58/813171158.db2.gz IMABTQHKDAZNDS-UHFFFAOYSA-N -1 1 256.236 3.248 20 0 CGADMM COc1cc(C(F)(F)F)nc(-c2ccc([O-])cc2F)n1 ZINC001206051378 813182211 /nfs/dbraw/zinc/18/22/11/813182211.db2.gz KUZRZWALDLIABD-UHFFFAOYSA-N -1 1 288.200 3.016 20 0 CGADMM CSc1nc(Nc2cc(F)cc(F)c2F)cc(=O)[n-]1 ZINC001206383003 813308813 /nfs/dbraw/zinc/30/88/13/813308813.db2.gz LYSKPYBIBCYQAP-UHFFFAOYSA-N -1 1 287.266 3.065 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc([C@@H](C)O)cc3)ccc2[n-]1 ZINC001242644257 823077196 /nfs/dbraw/zinc/07/71/96/823077196.db2.gz DJAMHQUEMWUDJU-SNVBAGLBSA-N -1 1 296.326 3.070 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc([C@@H](C)O)cc3)cc2[n-]1 ZINC001242644257 823077198 /nfs/dbraw/zinc/07/71/98/823077198.db2.gz DJAMHQUEMWUDJU-SNVBAGLBSA-N -1 1 296.326 3.070 20 0 CGADMM COc1cc(C)c(Nc2cc([O-])c(F)c(F)c2)cn1 ZINC001209870816 814178133 /nfs/dbraw/zinc/17/81/33/814178133.db2.gz AUBROGLISREGRV-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM COc1cc(Nc2cnc(N)cc2C)ccc1[S-] ZINC001209970963 814223357 /nfs/dbraw/zinc/22/33/57/814223357.db2.gz LZSMMUIQIRFVPB-UHFFFAOYSA-N -1 1 261.350 3.013 20 0 CGADMM Nc1cccc(C(=S)Nc2cccc(Cl)c2[O-])c1 ZINC001210223368 814350674 /nfs/dbraw/zinc/35/06/74/814350674.db2.gz RDWNNDMEYQTTEQ-UHFFFAOYSA-N -1 1 278.764 3.415 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc2ncncc2c1 ZINC001210455560 814466936 /nfs/dbraw/zinc/46/69/36/814466936.db2.gz LITCTDZIDRTTEW-UHFFFAOYSA-N -1 1 272.695 3.127 20 0 CGADMM CN(C)c1cccc(-c2noc(-c3ccc([O-])cc3F)n2)c1 ZINC001215826368 815606536 /nfs/dbraw/zinc/60/65/36/815606536.db2.gz KICDKGZFBRPYNO-UHFFFAOYSA-N -1 1 299.305 3.314 20 0 CGADMM COc1cc(F)c(F)cc1Nc1ccnc(Cl)c1[O-] ZINC001210548269 814519854 /nfs/dbraw/zinc/51/98/54/814519854.db2.gz LBNGPHRUSVEQBL-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM COC(=O)c1cc(C)cnc1-c1cccc([O-])c1Cl ZINC001242797715 823135344 /nfs/dbraw/zinc/13/53/44/823135344.db2.gz FXYBFQNDRWHSTF-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM COc1c(F)cc(F)cc1Nc1ccnc(Cl)c1[O-] ZINC001210867478 814657913 /nfs/dbraw/zinc/65/79/13/814657913.db2.gz BMNIACSKQVAFRE-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM COc1cc(-c2cccc([O-])c2Cl)nc(SC)n1 ZINC001242798733 823135844 /nfs/dbraw/zinc/13/58/44/823135844.db2.gz XJWOWBGRKIPKKS-UHFFFAOYSA-N -1 1 282.752 3.233 20 0 CGADMM CC(C)Nc1ccnc(-c2cccc([O-])c2Cl)n1 ZINC001242799107 823135850 /nfs/dbraw/zinc/13/58/50/823135850.db2.gz UMMTTWCGLHBBMP-UHFFFAOYSA-N -1 1 263.728 3.323 20 0 CGADMM Nc1cn(-c2cc(Cl)c([O-])c(Cl)c2)nc1Cl ZINC001210926218 814677382 /nfs/dbraw/zinc/67/73/82/814677382.db2.gz GRFWOHUQKQECPE-UHFFFAOYSA-N -1 1 278.526 3.120 20 0 CGADMM [O-]c1c(Cl)cc(Nc2ccn3cnnc3c2)cc1Cl ZINC001210926233 814677469 /nfs/dbraw/zinc/67/74/69/814677469.db2.gz HAMCIBVROUPCBF-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM CSc1cc(-c2cccc([O-])c2Cl)ncn1 ZINC001242799157 823135864 /nfs/dbraw/zinc/13/58/64/823135864.db2.gz WTZUWLZWAVZZQF-UHFFFAOYSA-N -1 1 252.726 3.225 20 0 CGADMM Cc1cc2cnc(-c3cccc([O-])c3Cl)nc2[nH]1 ZINC001242797937 823136083 /nfs/dbraw/zinc/13/60/83/823136083.db2.gz PFCMHDLBJKXNJA-UHFFFAOYSA-N -1 1 259.696 3.244 20 0 CGADMM CN(C)C(=O)c1cccc(-c2cccc([O-])c2Cl)c1 ZINC001242799650 823136422 /nfs/dbraw/zinc/13/64/22/823136422.db2.gz WKHUIASYLVZPJW-UHFFFAOYSA-N -1 1 275.735 3.414 20 0 CGADMM [O-]c1cccc(-c2ncc(OC(F)F)cn2)c1Cl ZINC001242801362 823137042 /nfs/dbraw/zinc/13/70/42/823137042.db2.gz REOSEGLJVXMYHI-UHFFFAOYSA-N -1 1 272.638 3.104 20 0 CGADMM O=C1C[C@@H](c2cccc(-c3cccc([O-])c3Cl)c2)CN1 ZINC001242800799 823137177 /nfs/dbraw/zinc/13/71/77/823137177.db2.gz UCQYXMMLYGIBLU-GFCCVEGCSA-N -1 1 287.746 3.316 20 0 CGADMM [O-]c1cccc(-c2cnc(OC3CCC3)nc2)c1Cl ZINC001242802161 823137813 /nfs/dbraw/zinc/13/78/13/823137813.db2.gz UHVFMSKHSJOWPY-UHFFFAOYSA-N -1 1 276.723 3.434 20 0 CGADMM NC(=O)c1c(F)cc(-c2cccc([O-])c2Cl)cc1F ZINC001242802718 823137936 /nfs/dbraw/zinc/13/79/36/823137936.db2.gz GOWCYJUCZZEWSF-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM Cc1cc(C(N)=O)cc(C)c1-c1cccc([O-])c1Cl ZINC001242802570 823138131 /nfs/dbraw/zinc/13/81/31/823138131.db2.gz LOQWESIQBGOAJH-UHFFFAOYSA-N -1 1 275.735 3.428 20 0 CGADMM COc1cnccc1Nc1ccc2[n-]c(=S)sc2c1 ZINC001211262960 814864775 /nfs/dbraw/zinc/86/47/75/814864775.db2.gz CKIVCKOHSXBYMA-UHFFFAOYSA-N -1 1 289.385 3.154 20 0 CGADMM COc1cc(F)ccc1-c1cc(F)c([O-])cc1F ZINC001211339383 814881816 /nfs/dbraw/zinc/88/18/16/814881816.db2.gz OAEASTHZTGATOZ-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM Cc1ccc(-c2cc(F)c([O-])cc2F)cc1S(C)(=O)=O ZINC001211338717 814881873 /nfs/dbraw/zinc/88/18/73/814881873.db2.gz IFKFQXPMPLLKQZ-UHFFFAOYSA-N -1 1 298.310 3.049 20 0 CGADMM Cn1ccc2cc(-c3cc(F)c([O-])cc3F)ccc2c1=O ZINC001211350905 814884222 /nfs/dbraw/zinc/88/42/22/814884222.db2.gz XZKGUWALHHMECF-UHFFFAOYSA-N -1 1 287.265 3.189 20 0 CGADMM [O-]c1cc(Nc2cccc(CO)c2F)cc(F)c1F ZINC001211440113 814892800 /nfs/dbraw/zinc/89/28/00/814892800.db2.gz XKKFWZYWGMKRNT-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM COc1cc(Nc2ccc(C(=O)[O-])cc2C)ncc1C ZINC001211620772 814919392 /nfs/dbraw/zinc/91/93/92/814919392.db2.gz FWOMLWXVZOZBJN-UHFFFAOYSA-N -1 1 272.304 3.149 20 0 CGADMM CC(C)Oc1ccc2cc([N-]c3nonc3N)ccc2c1 ZINC001215921354 815630648 /nfs/dbraw/zinc/63/06/48/815630648.db2.gz CZEJOHKBTQMJCB-UHFFFAOYSA-N -1 1 284.319 3.336 20 0 CGADMM Nc1nonc1[N-]c1ccc(F)c(-c2ccccc2)c1 ZINC001215994512 815653829 /nfs/dbraw/zinc/65/38/29/815653829.db2.gz JTUUNNFGBRKWMX-UHFFFAOYSA-N -1 1 270.267 3.202 20 0 CGADMM CCc1cc(Nc2cc([O-])c(F)c(F)c2)ccc1CO ZINC001216106486 815697905 /nfs/dbraw/zinc/69/79/05/815697905.db2.gz VQBLTSFTSIUMJY-UHFFFAOYSA-N -1 1 279.286 3.469 20 0 CGADMM COc1ccccc1-c1noc(-c2cc([O-])cc(F)c2)n1 ZINC001216340089 815792414 /nfs/dbraw/zinc/79/24/14/815792414.db2.gz RMZWFHALSZCISZ-UHFFFAOYSA-N -1 1 286.262 3.257 20 0 CGADMM Cc1cc(-c2ccccc2C(=O)[O-])cc2nc[nH]c21 ZINC001242879302 823162562 /nfs/dbraw/zinc/16/25/62/823162562.db2.gz ZGXFZMSMBLEYSZ-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM COc1ccc(-c2cc(F)c([O-])cc2F)c(OC)c1OC ZINC001222083250 816343892 /nfs/dbraw/zinc/34/38/92/816343892.db2.gz WCNRCUYXGXIWBU-UHFFFAOYSA-N -1 1 296.269 3.363 20 0 CGADMM Cc1ccc(C(OCc2nn[n-]n2)c2ccc(C)cc2)cc1 ZINC001223029253 816554099 /nfs/dbraw/zinc/55/40/99/816554099.db2.gz IYCHPUXIGAWVMO-UHFFFAOYSA-N -1 1 294.358 3.123 20 0 CGADMM CCCC[C@@H](CC)[C@H](CC)OCC[P@](=O)([O-])O ZINC001224602230 816830993 /nfs/dbraw/zinc/83/09/93/816830993.db2.gz PDDRBKGVGQXQSI-NEPJUHHUSA-N -1 1 266.318 3.176 20 0 CGADMM CC(C)(C)Oc1ccnc(-c2ccc(F)c([O-])c2)n1 ZINC001243054991 823229732 /nfs/dbraw/zinc/22/97/32/823229732.db2.gz XGXIDMQJKIWNPY-UHFFFAOYSA-N -1 1 262.284 3.166 20 0 CGADMM CC(C)CCC[C@H](C)OCCCC[P@](=O)([O-])O ZINC001225018721 816932824 /nfs/dbraw/zinc/93/28/24/816932824.db2.gz GMBXXWDJSOLCGI-LBPRGKRZSA-N -1 1 266.318 3.176 20 0 CGADMM CCC[C@H](C)[C@@H](OCCCC[P@](=O)([O-])O)C(C)C ZINC001225019478 816933941 /nfs/dbraw/zinc/93/39/41/816933941.db2.gz XAMBTKVWQPBFDY-STQMWFEESA-N -1 1 280.345 3.422 20 0 CGADMM CC(C)[C@H]1CC[C@H](C)C[C@H]1OCCCC[P@](=O)([O-])O ZINC001225022666 816933979 /nfs/dbraw/zinc/93/39/79/816933979.db2.gz PZCSOOIDZOEIDC-BFHYXJOUSA-N -1 1 292.356 3.422 20 0 CGADMM CCC[C@@H](C)[C@H](OCCCC[P@](=O)([O-])O)C(C)C ZINC001225019475 816934746 /nfs/dbraw/zinc/93/47/46/816934746.db2.gz XAMBTKVWQPBFDY-CHWSQXEVSA-N -1 1 280.345 3.422 20 0 CGADMM COC1=CC[C@H](Oc2cc([O-])ccc2C(C)=O)CC1 ZINC001225619847 817115921 /nfs/dbraw/zinc/11/59/21/817115921.db2.gz XZOJICWDPIOLII-ZDUSSCGKSA-N -1 1 262.305 3.056 20 0 CGADMM CCCC[C@H](C)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225675846 817137320 /nfs/dbraw/zinc/13/73/20/817137320.db2.gz ZQGRKBIBELRAMQ-VIFPVBQESA-N -1 1 252.310 3.258 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H](C)c1ccc(C)cc1 ZINC001226246780 817310434 /nfs/dbraw/zinc/31/04/34/817310434.db2.gz RCUQBPXEBAZQSR-JTQLQIEISA-N -1 1 276.361 3.222 20 0 CGADMM C[C@H](Oc1[n-]c(=O)nc2c1CO[C@H]2C)c1ccccc1F ZINC001227715118 817702370 /nfs/dbraw/zinc/70/23/70/817702370.db2.gz ZDJYVZRNQVDXBN-IUCAKERBSA-N -1 1 290.294 3.053 20 0 CGADMM CC1(C)CC[C@@H](COc2[n-]c(=S)nc3cnccc32)O1 ZINC001227881457 817742748 /nfs/dbraw/zinc/74/27/48/817742748.db2.gz MIONRECSJSXXKK-VIFPVBQESA-N -1 1 291.376 3.024 20 0 CGADMM CSc1nc(O[C@@H](C)c2cccc(F)c2F)cc(=O)[n-]1 ZINC001228094835 817810556 /nfs/dbraw/zinc/81/05/56/817810556.db2.gz MTOZCLCJRLCZIJ-ZETCQYMHSA-N -1 1 298.314 3.322 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1-c1cc(F)c2c(c1)CN(C)CC2 ZINC001243211093 823293726 /nfs/dbraw/zinc/29/37/26/823293726.db2.gz AVAYMBPGXPQCOV-UHFFFAOYSA-N -1 1 299.345 3.487 20 0 CGADMM C[C@H](Oc1cccnc1-c1ncccc1[O-])c1cccnc1 ZINC001231202313 818058187 /nfs/dbraw/zinc/05/81/87/818058187.db2.gz RVDZTZKRTXZUMB-LBPRGKRZSA-N -1 1 293.326 3.384 20 0 CGADMM [O-]c1cc(CN2CC[C@@H](CF)C(F)(F)C2)ccc1Cl ZINC001231732881 818162373 /nfs/dbraw/zinc/16/23/73/818162373.db2.gz INSMKWHBGPGYAP-JTQLQIEISA-N -1 1 293.716 3.472 20 0 CGADMM CCN(Cc1cc([O-])c(F)c(F)c1)CC(F)(F)F ZINC001232973358 818488261 /nfs/dbraw/zinc/48/82/61/818488261.db2.gz UTHITXHDROSBBF-UHFFFAOYSA-N -1 1 269.213 3.055 20 0 CGADMM Cc1ccc2c(c1)CCN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233038155 818508798 /nfs/dbraw/zinc/50/87/98/818508798.db2.gz OUJIAMLNKOKBCR-UHFFFAOYSA-N -1 1 288.778 3.307 20 0 CGADMM O=C1CCN1c1cccc(-c2ccc([O-])c(F)c2F)c1 ZINC001243341119 823355525 /nfs/dbraw/zinc/35/55/25/823355525.db2.gz KTTCAQRIMQJTMB-UHFFFAOYSA-N -1 1 275.254 3.074 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1OC[C@H](C)OCC ZINC001233651351 818669971 /nfs/dbraw/zinc/66/99/71/818669971.db2.gz YNPCPFOANZGQHD-NSHDSACASA-N -1 1 266.337 3.179 20 0 CGADMM [O-]c1ccc(-c2cccc(-c3nc[nH]n3)c2)c(F)c1F ZINC001243342592 823357515 /nfs/dbraw/zinc/35/75/15/823357515.db2.gz JPPYYBDAXPLSLE-UHFFFAOYSA-N -1 1 273.242 3.123 20 0 CGADMM COc1ccc(-c2ccc([O-])c(F)c2F)cc1OC ZINC001243342778 823357540 /nfs/dbraw/zinc/35/75/40/823357540.db2.gz UDFXUFNZHCHUNP-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM CN(C)C(=O)c1cccc(-c2ccc([O-])c(F)c2F)c1 ZINC001243343077 823358197 /nfs/dbraw/zinc/35/81/97/823358197.db2.gz WRZRZQJNMOUKGE-UHFFFAOYSA-N -1 1 277.270 3.039 20 0 CGADMM CCC(=O)Nc1cc(-c2ccc([O-])c(F)c2F)ccn1 ZINC001243344967 823360379 /nfs/dbraw/zinc/36/03/79/823360379.db2.gz KWBGQZRQHJBSOW-UHFFFAOYSA-N -1 1 278.258 3.081 20 0 CGADMM CCCC[C@H](CC)Oc1[n-]c(=O)c(F)cc1C(=O)OC ZINC001234611134 818891551 /nfs/dbraw/zinc/89/15/51/818891551.db2.gz YVMQSNOHIGQIRE-VIFPVBQESA-N -1 1 285.315 3.061 20 0 CGADMM CC(C)C[C@@H](Oc1nc2sccc2[n-]1)C(=O)OC(C)C ZINC001234852460 818934474 /nfs/dbraw/zinc/93/44/74/818934474.db2.gz WNOWOSQYMGEMNL-LLVKDONJSA-N -1 1 296.392 3.370 20 0 CGADMM O=C([O-])c1c(Cl)ccc(-c2nccc3[nH]cnc32)c1F ZINC001236142692 819343468 /nfs/dbraw/zinc/34/34/68/819343468.db2.gz JRQPKUBPQRJCIG-UHFFFAOYSA-N -1 1 291.669 3.116 20 0 CGADMM COc1cnc(-c2c(F)ccc(C)c2[O-])c2[nH]ccc21 ZINC001236391655 819447033 /nfs/dbraw/zinc/44/70/33/819447033.db2.gz PZHMNUAZRJSCTG-UHFFFAOYSA-N -1 1 272.279 3.392 20 0 CGADMM Cc1cc(C(F)(F)F)nc(-c2cccc([O-])c2F)n1 ZINC001243542298 823436661 /nfs/dbraw/zinc/43/66/61/823436661.db2.gz JSVIDFAVBBACDC-UHFFFAOYSA-N -1 1 272.201 3.316 20 0 CGADMM CC(C)N(C)Cc1c(Br)ccc([O-])c1F ZINC001238304585 819973124 /nfs/dbraw/zinc/97/31/24/819973124.db2.gz GIBKMZIZSNKEDR-UHFFFAOYSA-N -1 1 276.149 3.134 20 0 CGADMM Cc1cnc(C)nc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243609885 823466275 /nfs/dbraw/zinc/46/62/75/823466275.db2.gz WGWBEJKPBXLJGR-UHFFFAOYSA-N -1 1 268.238 3.485 20 0 CGADMM [O-]c1cc(C(F)(F)F)ccc1-c1ccc2nccnc2n1 ZINC001243608543 823466721 /nfs/dbraw/zinc/46/67/21/823466721.db2.gz KDMQHFIWQQXTGV-UHFFFAOYSA-N -1 1 291.232 3.416 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(C)ccc3OC)cc2[n-]1 ZINC001239767445 820588199 /nfs/dbraw/zinc/58/81/99/820588199.db2.gz FZJOXGQLBOWJPT-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(C)ccc3OC)ccc2[n-]1 ZINC001239767445 820588201 /nfs/dbraw/zinc/58/82/01/820588201.db2.gz FZJOXGQLBOWJPT-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM COc1cc2[nH]cnc2cc1-c1cccc(C=CC(=O)[O-])c1 ZINC001240549913 821136788 /nfs/dbraw/zinc/13/67/88/821136788.db2.gz GVWYIZKFYGEFGY-AATRIKPKSA-N -1 1 294.310 3.336 20 0 CGADMM [O-]c1ccc(F)cc1-c1ccnc(C(F)(F)F)n1 ZINC001240693923 821249400 /nfs/dbraw/zinc/24/94/00/821249400.db2.gz HRINZUOUEDRCGE-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM CCOC(=O)/C=C/c1ccc(-c2cc(F)ccc2[O-])nc1 ZINC001240694007 821249887 /nfs/dbraw/zinc/24/98/87/821249887.db2.gz MARBBTIUEFZAOS-XBXARRHUSA-N -1 1 287.290 3.170 20 0 CGADMM [O-]c1ccc(F)cc1-c1cc(C(F)(F)F)cnn1 ZINC001240693108 821250373 /nfs/dbraw/zinc/25/03/73/821250373.db2.gz BTNFJCVNRFDWHR-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM CC(C)Sc1ccc(-c2cc(F)ccc2[O-])nn1 ZINC001240695538 821251184 /nfs/dbraw/zinc/25/11/84/821251184.db2.gz LOUGHKFHNSQCPL-UHFFFAOYSA-N -1 1 264.325 3.489 20 0 CGADMM COc1cc(F)c(-c2ccc([O-])c(F)c2)c(F)c1 ZINC001240787231 821328704 /nfs/dbraw/zinc/32/87/04/821328704.db2.gz SIKKJLMMOAMVEG-UHFFFAOYSA-N -1 1 254.207 3.485 20 0 CGADMM CCOC(=O)c1ccc(-c2c(F)cc([O-])cc2F)nc1C ZINC001241116667 821571449 /nfs/dbraw/zinc/57/14/49/821571449.db2.gz FPMRYOAPMNTKKL-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM [O-]c1cc(F)c(-c2ccnc(N3CCCCC3)n2)c(F)c1 ZINC001241118979 821574406 /nfs/dbraw/zinc/57/44/06/821574406.db2.gz ASZVNFMXYRRROP-UHFFFAOYSA-N -1 1 291.301 3.118 20 0 CGADMM [O-]c1cc(F)c(-c2ccnc(-c3cncs3)n2)c(F)c1 ZINC001241119437 821574748 /nfs/dbraw/zinc/57/47/48/821574748.db2.gz NSVQFXMHPIANQX-UHFFFAOYSA-N -1 1 291.282 3.251 20 0 CGADMM COC(=O)c1cccc(C)c1-c1c(F)cc([O-])cc1F ZINC001241120641 821575422 /nfs/dbraw/zinc/57/54/22/821575422.db2.gz DPJJOHHSKFEETH-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM Cc1nc2ncc(-c3c(F)cc([O-])cc3F)cc2o1 ZINC001241120712 821575527 /nfs/dbraw/zinc/57/55/27/821575527.db2.gz HWWOZJOBGBEKLA-UHFFFAOYSA-N -1 1 262.215 3.182 20 0 CGADMM CSc1ccnc(-c2c(F)cc([O-])cc2F)c1 ZINC001241120414 821576089 /nfs/dbraw/zinc/57/60/89/821576089.db2.gz STYMIGFPSUWTIK-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)cc1 ZINC001241120977 821576978 /nfs/dbraw/zinc/57/69/78/821576978.db2.gz VZRXOHIEIZYNNJ-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM CSc1ccc(-c2c(F)cc([O-])cc2F)cn1 ZINC001241121708 821578690 /nfs/dbraw/zinc/57/86/90/821578690.db2.gz CHBSXSXMBQUEHX-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM CC1(C)NC(=O)c2cc(-c3c(F)cc([O-])cc3F)ccc21 ZINC001241124809 821581804 /nfs/dbraw/zinc/58/18/04/821581804.db2.gz NYRPXBVXJGHWHU-UHFFFAOYSA-N -1 1 289.281 3.316 20 0 CGADMM COC(=O)c1nc2cc(-c3ccc(F)c(C)c3)ccc2[n-]1 ZINC001241279862 821698666 /nfs/dbraw/zinc/69/86/66/821698666.db2.gz JJDYPCVXYAELNH-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM COC(=O)c1nc2ccc(-c3ccc(F)c(C)c3)cc2[n-]1 ZINC001241279862 821698670 /nfs/dbraw/zinc/69/86/70/821698670.db2.gz JJDYPCVXYAELNH-UHFFFAOYSA-N -1 1 284.290 3.464 20 0 CGADMM CC(C)c1nccnc1-c1c(F)ccc([O-])c1F ZINC001241290424 821706247 /nfs/dbraw/zinc/70/62/47/821706247.db2.gz RYTOADAGOCCPAA-UHFFFAOYSA-N -1 1 250.248 3.251 20 0 CGADMM [O-]c1ccc(F)c(-c2ncnc3c2CCCC3)c1F ZINC001241291215 821707683 /nfs/dbraw/zinc/70/76/83/821707683.db2.gz JSJYZJQTHPUCML-UHFFFAOYSA-N -1 1 262.259 3.006 20 0 CGADMM COC(=O)c1c(C)cc(C)nc1-c1c(F)ccc([O-])c1F ZINC001241291216 821708231 /nfs/dbraw/zinc/70/82/31/821708231.db2.gz JTIYHQAGCURINC-UHFFFAOYSA-N -1 1 293.269 3.136 20 0 CGADMM [O-]c1ccc(F)c(-c2nccc3ccncc32)c1F ZINC001241291862 821709064 /nfs/dbraw/zinc/70/90/64/821709064.db2.gz UWOJCJBOPILLJP-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(-c3ncccn3)cn2)c1F ZINC001241292874 821710441 /nfs/dbraw/zinc/71/04/41/821710441.db2.gz LBHBJMRVMMBBPA-UHFFFAOYSA-N -1 1 285.253 3.189 20 0 CGADMM S=c1[n-]c2cc(-c3ccc4[nH]nnc4c3)ccc2o1 ZINC001241941424 822233519 /nfs/dbraw/zinc/23/35/19/822233519.db2.gz YSHSGDGGVRAKOW-UHFFFAOYSA-N -1 1 268.301 3.055 20 0 CGADMM S=c1[n-]c2cc(-c3ccc4nn[nH]c4c3)ccc2o1 ZINC001241941424 822233526 /nfs/dbraw/zinc/23/35/26/822233526.db2.gz YSHSGDGGVRAKOW-UHFFFAOYSA-N -1 1 268.301 3.055 20 0 CGADMM Cc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ncn1 ZINC001242147559 822893849 /nfs/dbraw/zinc/89/38/49/822893849.db2.gz AEVLDASEXCBLNG-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM COC(=O)c1ccncc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242157899 822899358 /nfs/dbraw/zinc/89/93/58/822899358.db2.gz ODUOLOPJMWEHCO-UHFFFAOYSA-N -1 1 297.232 3.260 20 0 CGADMM [O-]c1ccc(-c2cncc3nnoc32)cc1C(F)(F)F ZINC001242168965 822900918 /nfs/dbraw/zinc/90/09/18/822900918.db2.gz YHRWQAYKWWZUED-UHFFFAOYSA-N -1 1 281.193 3.009 20 0 CGADMM COC(=O)c1ncc(-c2cccc(Cl)c2[O-])cc1F ZINC001242364139 822968175 /nfs/dbraw/zinc/96/81/75/822968175.db2.gz DINOWOKENPOTIW-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM O=C1C=CC(=O)N1c1ccccc1-c1cccc(Cl)c1[O-] ZINC001242366256 822969012 /nfs/dbraw/zinc/96/90/12/822969012.db2.gz IDQZSSHJLFFFNG-UHFFFAOYSA-N -1 1 299.713 3.142 20 0 CGADMM [O-]c1c(Cl)cccc1-c1ccc(-n2nccn2)cc1 ZINC001242368056 822970013 /nfs/dbraw/zinc/97/00/13/822970013.db2.gz VSUXPBATIIRHSE-UHFFFAOYSA-N -1 1 271.707 3.293 20 0 CGADMM C[C@@H](C(=O)[N-]OC1CCCCC1)c1ccc(F)c(F)c1 ZINC001338463516 936324805 /nfs/dbraw/zinc/32/48/05/936324805.db2.gz HFXWIXDJBVTCGC-SNVBAGLBSA-N -1 1 283.318 3.449 20 0 CGADMM CC1(C)C2CCC1(C(=O)[N-]OC/C=C\Cl)CC2 ZINC001346998033 936866447 /nfs/dbraw/zinc/86/64/47/936866447.db2.gz TZYGJWGKCAGMDS-BAQGIRSFSA-N -1 1 257.761 3.003 20 0 CGADMM CC[C@@H]([N-]c1nc(C)no1)c1nc(C(F)(F)F)cs1 ZINC001354119995 937090133 /nfs/dbraw/zinc/09/01/33/937090133.db2.gz HGSWAIVGGXGUHD-ZCFIWIBFSA-N -1 1 292.286 3.417 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3OC[C@@H]4CCC[C@@H]43)n2)c(F)c1 ZINC000350564898 927576606 /nfs/dbraw/zinc/57/66/06/927576606.db2.gz FVALYIUMPFLBLM-GMOODISLSA-N -1 1 290.294 3.069 20 0 CGADMM CCC[C@@H](C(=O)Nc1c[n-][nH]c1=O)c1ccc(Cl)cc1 ZINC001412855001 928718905 /nfs/dbraw/zinc/71/89/05/928718905.db2.gz LWWWJOUXPDCNMD-LLVKDONJSA-N -1 1 293.754 3.291 20 0 CGADMM O=C(Nc1cnc2c(c1)CCCC2)c1ccc(F)c([O-])c1 ZINC001447636303 937370224 /nfs/dbraw/zinc/37/02/24/937370224.db2.gz WXROGIJEEZDWFQ-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM Cc1cccc(F)c1C(=O)Nc1ccc([O-])c(F)c1F ZINC001449448292 937379318 /nfs/dbraw/zinc/37/93/18/937379318.db2.gz OBQJOTVZRFMCIQ-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM CSc1cc(O)ccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001449031785 937378357 /nfs/dbraw/zinc/37/83/57/937378357.db2.gz UILFJQALPHSLLZ-UHFFFAOYSA-N -1 1 293.319 3.211 20 0 CGADMM COc1cc(F)c(F)cc1NC(=O)c1cccc([O-])c1F ZINC001450843128 937387373 /nfs/dbraw/zinc/38/73/73/937387373.db2.gz INGXSJLBWWBOMN-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM C[C@@H](Oc1ccccc1)C(=O)Nc1cc([O-])c(F)cc1F ZINC001450899599 937387480 /nfs/dbraw/zinc/38/74/80/937387480.db2.gz KEFHVJIBMDUFJI-SECBINFHSA-N -1 1 293.269 3.076 20 0 CGADMM CCc1ccc(C(=O)Nc2cc3cc[nH]c3cn2)c([O-])c1 ZINC001452645673 937396898 /nfs/dbraw/zinc/39/68/98/937396898.db2.gz ZXJREQCMQPFETF-UHFFFAOYSA-N -1 1 281.315 3.083 20 0 CGADMM O=C(NCC[C@@H]1CCCC1(F)F)c1ccc(F)c([O-])c1 ZINC001455204671 937415721 /nfs/dbraw/zinc/41/57/21/937415721.db2.gz UTSNHBMBZSPSEJ-JTQLQIEISA-N -1 1 287.281 3.087 20 0 CGADMM Cc1cccc(CC(=O)NCc2ccc([O-])c(Cl)c2)c1 ZINC001455438694 937417587 /nfs/dbraw/zinc/41/75/87/937417587.db2.gz DNLJTMCFHPDPMN-UHFFFAOYSA-N -1 1 289.762 3.213 20 0 CGADMM O=C(NC[C@@H]1C[C@H]1C1CCCC1)c1cc(F)ccc1[O-] ZINC001457309170 937440337 /nfs/dbraw/zinc/44/03/37/937440337.db2.gz KUNPSXZUOWOWKK-AAEUAGOBSA-N -1 1 277.339 3.087 20 0 CGADMM Cc1cc(Cl)ncc1NC(=O)c1ccc([O-])cc1F ZINC000165060316 932004730 /nfs/dbraw/zinc/00/47/30/932004730.db2.gz BSOOUJBZMUOPFW-UHFFFAOYSA-N -1 1 280.686 3.140 20 0 CGADMM Cc1ccc([C@@H](C)Oc2cc([O-])cc3oc(=O)ccc23)cn1 ZINC001229135151 932103373 /nfs/dbraw/zinc/10/33/73/932103373.db2.gz KVTBIXMTJTWNSK-LLVKDONJSA-N -1 1 297.310 3.342 20 0 CGADMM C[C@H]1CCC[C@@H](Oc2cc([O-])cc3oc(=O)ccc23)C1 ZINC001229136722 932103414 /nfs/dbraw/zinc/10/34/14/932103414.db2.gz ZARAPDAPMDTRNH-CMPLNLGQSA-N -1 1 274.316 3.456 20 0 CGADMM O=c1ccc2c(OC(C3CC3)C3CC3)cc([O-])cc2o1 ZINC001229136335 932103688 /nfs/dbraw/zinc/10/36/88/932103688.db2.gz WCDSNRJIRDRZQM-UHFFFAOYSA-N -1 1 272.300 3.066 20 0 CGADMM COc1c(=O)[n-]c(C)nc1O[C@@H](C)c1cccc(Cl)c1 ZINC001230023856 932524193 /nfs/dbraw/zinc/52/41/93/932524193.db2.gz CYHUQUZIRQOMIC-QMMMGPOBSA-N -1 1 294.738 3.293 20 0 CGADMM COC(=O)c1c[n-]c(OC(CC(C)C)CC(C)C)n1 ZINC001230279090 932551275 /nfs/dbraw/zinc/55/12/75/932551275.db2.gz BZQGVYFLUDSMCE-UHFFFAOYSA-N -1 1 268.357 3.036 20 0 CGADMM COc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1C ZINC001306799793 932887156 /nfs/dbraw/zinc/88/71/56/932887156.db2.gz RHSVARZTNODHRF-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM O=S(=O)([N-]C1CCCCCC1)c1sccc1Cl ZINC001309027432 933224429 /nfs/dbraw/zinc/22/44/29/933224429.db2.gz ZSBVEQSAVVZDAB-UHFFFAOYSA-N -1 1 293.841 3.403 20 0 CGADMM CCCC[C@@H](CCC)C[N-]S(=O)(=O)c1ccns1 ZINC001463301860 937671210 /nfs/dbraw/zinc/67/12/10/937671210.db2.gz WGYFZRSJKJQPTH-LLVKDONJSA-N -1 1 290.454 3.028 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCS[C@H]2CCCC[C@@H]21 ZINC001465593305 937702091 /nfs/dbraw/zinc/70/20/91/937702091.db2.gz LUINGPXNZMPMRL-JSGCOSHPSA-N -1 1 295.379 3.032 20 0 CGADMM CCCc1ccc(CS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC001318055646 933681041 /nfs/dbraw/zinc/68/10/41/933681041.db2.gz FBSMEZWUJPTPFZ-UHFFFAOYSA-N -1 1 290.384 3.319 20 0 CGADMM CC[C@H](C)CCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001469159834 937735987 /nfs/dbraw/zinc/73/59/87/937735987.db2.gz FMYAMGSMWSECEV-QMMMGPOBSA-N -1 1 257.280 3.435 20 0 CGADMM Cc1ccoc1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001320768368 934101316 /nfs/dbraw/zinc/10/13/16/934101316.db2.gz RNKATVMQHRIDME-UHFFFAOYSA-N -1 1 296.120 3.308 20 0 CGADMM Cc1ccc(N(CC2CC2)C(=O)c2ccc([O-])cn2)cc1 ZINC001471882393 937770286 /nfs/dbraw/zinc/77/02/86/937770286.db2.gz MXIHYNRBJRLOJZ-UHFFFAOYSA-N -1 1 282.343 3.152 20 0 CGADMM CC(C)(C(=O)Nc1c[n-][nH]c1=O)c1ccc2ccccc2c1 ZINC001472571052 937777928 /nfs/dbraw/zinc/77/79/28/937777928.db2.gz ZVAGOVPXLJGQRY-UHFFFAOYSA-N -1 1 295.342 3.185 20 0 CGADMM CC[C@H](COC(=O)c1ccc([O-])cc1F)CC(F)F ZINC001327146745 935036735 /nfs/dbraw/zinc/03/67/35/935036735.db2.gz RZBFFJITDUIHRD-QMMMGPOBSA-N -1 1 276.254 3.370 20 0 CGADMM CC(F)(F)C1(C(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC001331205036 935358958 /nfs/dbraw/zinc/35/89/58/935358958.db2.gz YSDHFHJASGMLKI-UHFFFAOYSA-N -1 1 277.217 3.044 20 0 CGADMM CC(C)(C)[C@H]1CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC001336348285 936189414 /nfs/dbraw/zinc/18/94/14/936189414.db2.gz DMPVRDDEHURPII-CYBMUJFWSA-N -1 1 284.359 3.201 20 0 CGADMM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1F ZINC001475486899 937883806 /nfs/dbraw/zinc/88/38/06/937883806.db2.gz CDSHXHXCOSBHJY-VIFPVBQESA-N -1 1 291.363 3.068 20 0 CGADMM Cc1nocc1[N-]C(=O)c1cc(-c2ccccc2)ns1 ZINC001527078034 938060277 /nfs/dbraw/zinc/06/02/77/938060277.db2.gz PCJOHJMXFABGGG-UHFFFAOYSA-N -1 1 285.328 3.359 20 0 CGADMM Cc1cc(F)ccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001538874405 938121301 /nfs/dbraw/zinc/12/13/01/938121301.db2.gz CJLWXVDSRLBDSI-UHFFFAOYSA-N -1 1 263.243 3.231 20 0 CGADMM CCOc1cc(C)ccc1NC(=O)c1cccc([O-])c1F ZINC001542121878 938135089 /nfs/dbraw/zinc/13/50/89/938135089.db2.gz HCLYTQHYGDLSEY-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N(CC(C)C)C(C)C)c1 ZINC001542479401 938136020 /nfs/dbraw/zinc/13/60/20/938136020.db2.gz KBWNIQHICJALHG-UHFFFAOYSA-N -1 1 277.364 3.020 20 0 CGADMM O=C(NCCOC1CCCCCC1)c1cccc([O-])c1F ZINC001543686074 938141157 /nfs/dbraw/zinc/14/11/57/938141157.db2.gz RZJIPFCHKAXQEQ-UHFFFAOYSA-N -1 1 295.354 3.001 20 0 CGADMM CC[C@H]1CCCC[C@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC001556810071 938205836 /nfs/dbraw/zinc/20/58/36/938205836.db2.gz ZATKPBFNMAZZHE-RYUDHWBXSA-N -1 1 279.355 3.478 20 0 CGADMM CCc1cc(C(=O)Nc2cc([O-])c(F)cc2F)ccc1O ZINC001556919954 938206570 /nfs/dbraw/zinc/20/65/70/938206570.db2.gz XMWOCQBOUNEVLL-UHFFFAOYSA-N -1 1 293.269 3.191 20 0 CGADMM CCC[C@H](NC(=O)c1cccc([O-])c1F)C1CCC1 ZINC001556980709 938207016 /nfs/dbraw/zinc/20/70/16/938207016.db2.gz MZAMGORNUQCXGL-LBPRGKRZSA-N -1 1 265.328 3.230 20 0 CGADMM Cc1cc(C(=O)Nc2cc(F)cc(F)c2[O-])ccc1F ZINC001557086770 938207753 /nfs/dbraw/zinc/20/77/53/938207753.db2.gz DRCUGBSKKSNGOT-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM Cc1cc(C(=O)Nc2cccc(F)c2[O-])c(C)s1 ZINC001557956416 938212685 /nfs/dbraw/zinc/21/26/85/938212685.db2.gz KOSCIQZCWVEUHB-UHFFFAOYSA-N -1 1 265.309 3.462 20 0 CGADMM O=C(CCc1ccccc1)NCc1ccc([O-])c(Cl)c1 ZINC001558208552 938214222 /nfs/dbraw/zinc/21/42/22/938214222.db2.gz CXSFETPAQTYSPD-UHFFFAOYSA-N -1 1 289.762 3.295 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1coc(C2CC2)n1 ZINC001558644512 938216851 /nfs/dbraw/zinc/21/68/51/938216851.db2.gz NQNONYSZTMZYIE-UHFFFAOYSA-N -1 1 296.685 3.302 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N1CC2(CC2)Oc2ccccc21 ZINC001558719974 938217482 /nfs/dbraw/zinc/21/74/82/938217482.db2.gz MSXKXGQMJAZKNQ-UHFFFAOYSA-N -1 1 299.301 3.103 20 0 CGADMM CCc1ccc(-c2ccc(C(=O)Nc3c[n-][nH]c3=O)o2)cc1 ZINC001558988271 938218908 /nfs/dbraw/zinc/21/89/08/938218908.db2.gz JVFOPJKVWVSRQH-UHFFFAOYSA-N -1 1 297.314 3.190 20 0 CGADMM O=C([O-])c1ccc(CN[C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001595232036 949350168 /nfs/dbraw/zinc/35/01/68/949350168.db2.gz BQDSWPHSHROLGF-NVXWUHKLSA-N -1 1 285.318 3.112 20 0 CGADMM O=C([O-])CC[C@@H]1CCC[N@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328322063 951124992 /nfs/dbraw/zinc/12/49/92/951124992.db2.gz FJUMDFXSKRKMSW-NSHDSACASA-N -1 1 297.782 3.122 20 0 CGADMM O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2cccc([O-])c2Cl)C1 ZINC000328322063 951124997 /nfs/dbraw/zinc/12/49/97/951124997.db2.gz FJUMDFXSKRKMSW-NSHDSACASA-N -1 1 297.782 3.122 20 0 CGADMM CC[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC000026440446 957162205 /nfs/dbraw/zinc/16/22/05/957162205.db2.gz ICOKWUDDGAMJON-SECBINFHSA-N -1 1 270.741 3.172 20 0 CGADMM Cc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1F ZINC001594403630 958873504 /nfs/dbraw/zinc/87/35/04/958873504.db2.gz POVGTQGIUXQJSA-UHFFFAOYSA-N -1 1 273.307 3.122 20 0 CGADMM CC1(C)CCCC[C@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001566319591 960919526 /nfs/dbraw/zinc/91/95/26/960919526.db2.gz MZYLIOINBVWXRV-CYBMUJFWSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C1CCC1 ZINC001567290243 961257932 /nfs/dbraw/zinc/25/79/32/961257932.db2.gz MZMLIFQDOSCDSH-JTQLQIEISA-N -1 1 285.343 3.169 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc(F)c([O-])c2)CC1(C)C ZINC001567393512 961324968 /nfs/dbraw/zinc/32/49/68/961324968.db2.gz VICFMYLOTHCTCU-JTQLQIEISA-N -1 1 265.328 3.040 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C1(c2ccccc2)CC1 ZINC001569010533 961666018 /nfs/dbraw/zinc/66/60/18/961666018.db2.gz CUAFJDHEKUZTCL-UHFFFAOYSA-N -1 1 289.281 3.341 20 0 CGADMM O=C(/C=C\c1ccccc1)Nc1ccc([O-])c(F)c1F ZINC001569012953 961667701 /nfs/dbraw/zinc/66/77/01/961667701.db2.gz VIORHOZMXIKSCR-TWGQIWQCSA-N -1 1 275.254 3.322 20 0 CGADMM C[C@@H](CC(=O)Nc1cc([O-])c(F)cc1F)c1ccncc1 ZINC001570103079 961902925 /nfs/dbraw/zinc/90/29/25/961902925.db2.gz BRVNVCSFHUMJSB-VIFPVBQESA-N -1 1 292.285 3.198 20 0 CGADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ncc2ccccc2c1[O-] ZINC001570159022 961911818 /nfs/dbraw/zinc/91/18/18/961911818.db2.gz PHNGHDORMSODHH-GUYCJALGSA-N -1 1 284.359 3.105 20 0 CGADMM C=COc1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC001570209451 961937069 /nfs/dbraw/zinc/93/70/69/961937069.db2.gz OVUARNUBFMBYLL-UHFFFAOYSA-N -1 1 273.263 3.306 20 0 CGADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001570465532 961981563 /nfs/dbraw/zinc/98/15/63/961981563.db2.gz CWGAOTJMKCSZBY-TURQNECASA-N -1 1 281.302 3.291 20 0 CGADMM Cc1nc(S[C@@H](C(=O)[O-])C2CC2)[nH]c1-c1ccccc1 ZINC001574298815 962292187 /nfs/dbraw/zinc/29/21/87/962292187.db2.gz ONJHRMHIUFRYFT-CYBMUJFWSA-N -1 1 288.372 3.340 20 0 CGADMM Cc1c(Cl)cccc1Oc1ccncc1-c1nn[n-]n1 ZINC001580554471 962729865 /nfs/dbraw/zinc/72/98/65/962729865.db2.gz LARKINOSLAERHF-UHFFFAOYSA-N -1 1 287.710 3.016 20 0 CGADMM Cn1cc(C(=O)Nc2cccc(F)c2[O-])c2ccccc21 ZINC001587385429 962749877 /nfs/dbraw/zinc/74/98/77/962749877.db2.gz URQHLQNKOYHZHI-UHFFFAOYSA-N -1 1 284.290 3.275 20 0 CGADMM Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc([O-])cn2)cc1 ZINC001586946580 963155176 /nfs/dbraw/zinc/15/51/76/963155176.db2.gz BRVSUSNXXCWRMG-UHFFFAOYSA-N -1 1 298.386 3.145 20 0 CGADMM C=C/C=C\CCSc1cccc(F)c1-c1nn[n-]n1 ZINC001588530353 963277786 /nfs/dbraw/zinc/27/77/86/963277786.db2.gz KNNGKHRVXZUENE-ARJAWSKDSA-N -1 1 276.340 3.230 20 0 CGADMM CC(C)(C)CCCSc1cccnc1-c1nnn[n-]1 ZINC001589124572 963344374 /nfs/dbraw/zinc/34/43/74/963344374.db2.gz JICQUADQZZAELK-UHFFFAOYSA-N -1 1 277.397 3.180 20 0 CGADMM CC(C)(C)CCCSc1cccnc1-c1nn[n-]n1 ZINC001589124572 963344383 /nfs/dbraw/zinc/34/43/83/963344383.db2.gz JICQUADQZZAELK-UHFFFAOYSA-N -1 1 277.397 3.180 20 0 CGADMM CC(C)(C)c1cccc(Oc2ccncc2-c2nn[n-]n2)c1 ZINC001589229675 963354357 /nfs/dbraw/zinc/35/43/57/963354357.db2.gz RTFICNGQUFDLDQ-UHFFFAOYSA-N -1 1 295.346 3.352 20 0 CGADMM CC(C)N(Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001589701398 964016573 /nfs/dbraw/zinc/01/65/73/964016573.db2.gz AFMAAXAHJIFKIS-UHFFFAOYSA-N -1 1 299.403 3.343 20 0 CGADMM CC[C@H](NCc1c(C)noc1C)c1ccc(C(=O)[O-])cc1 ZINC001595298131 980413330 /nfs/dbraw/zinc/41/33/30/980413330.db2.gz ANAKKXKMYWOAFP-HNNXBMFYSA-N -1 1 288.347 3.231 20 0 CGADMM CCC1(CC)CN(Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)C1 ZINC001595376273 980903906 /nfs/dbraw/zinc/90/39/06/980903906.db2.gz SDDNROXZLIEYNQ-UHFFFAOYSA-N -1 1 278.396 3.458 20 0 CGADMM CCC[C@@H](NCc1cc(C)c(C(=O)[O-])[nH]1)c1ccccn1 ZINC001595599750 981573491 /nfs/dbraw/zinc/57/34/91/981573491.db2.gz AFRFZZRKDXYUSC-CYBMUJFWSA-N -1 1 287.363 3.047 20 0 CGADMM Cc1[nH]c(CN(C)[C@@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001599963081 985833143 /nfs/dbraw/zinc/83/31/43/985833143.db2.gz WTRARXISJKNHLU-NSHDSACASA-N -1 1 290.338 3.353 20 0 CGADMM CCc1[nH]c(CN(C)Cc2ccccc2C)cc1C(=O)[O-] ZINC001597380711 987579153 /nfs/dbraw/zinc/57/91/53/987579153.db2.gz XEZGIQMZPPMNEG-UHFFFAOYSA-N -1 1 286.375 3.216 20 0 CGADMM CCc1ccc2nc(-c3ccc(C(=O)[O-])o3)[nH]c2c1 ZINC001597570451 988343220 /nfs/dbraw/zinc/34/32/20/988343220.db2.gz JXNGRYXCTXNGFL-UHFFFAOYSA-N -1 1 256.261 3.084 20 0 CGADMM C[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccn1 ZINC001593190542 994123376 /nfs/dbraw/zinc/12/33/76/994123376.db2.gz QLPLVUHWXBDFGA-HZMBPMFUSA-N -1 1 290.750 3.212 20 0 CGADMM C[C@H](N[C@H]1CCc2cc(F)ccc21)c1cc(C(=O)[O-])co1 ZINC001593230498 994363678 /nfs/dbraw/zinc/36/36/78/994363678.db2.gz DISOXIFLUHMWIX-XPTSAGLGSA-N -1 1 289.306 3.455 20 0 CGADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCC[C@]2(CC=CCC2)C1 ZINC001593729154 996291160 /nfs/dbraw/zinc/29/11/60/996291160.db2.gz JRNSOKSNUDYJPJ-MLGOLLRUSA-N -1 1 290.363 3.256 20 0 CGADMM C[C@@]1(C(=O)[O-])CCCN(c2ccnc3cc(F)ccc32)C1 ZINC001593778531 996487268 /nfs/dbraw/zinc/48/72/68/996487268.db2.gz MKKKHKJZGAOPLG-MRXNPFEDSA-N -1 1 288.322 3.065 20 0 CGADMM COc1ccc(CN[C@H](C)c2cc(C(=O)[O-])co2)c(C)c1 ZINC001599571638 998374274 /nfs/dbraw/zinc/37/42/74/998374274.db2.gz UWNBNKFTBBKTBW-LLVKDONJSA-N -1 1 289.331 3.146 20 0 CGADMM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1[NH2+]Cc1ccc([O-])c(Cl)c1 ZINC001594185687 998719654 /nfs/dbraw/zinc/71/96/54/998719654.db2.gz RCDIQEZNLIFNMQ-IRUJWGPZSA-N -1 1 297.782 3.025 20 0 CGADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccoc1C(=O)[O-] ZINC001594215608 998829598 /nfs/dbraw/zinc/82/95/98/998829598.db2.gz SCJGXFVUESYDPH-PSASIEDQSA-N -1 1 291.269 3.141 20 0 CGADMM CC[C@H]1CN(Cc2cccc([O-])c2Cl)C[C@H](C)O1 ZINC000350698333 219049103 /nfs/dbraw/zinc/04/91/03/219049103.db2.gz CZULZDHVSYNMKJ-JQWIXIFHSA-N -1 1 269.772 3.045 20 0 CGADMM Cc1cc(CSc2nc(C3CC3)cc(=O)[n-]2)ccn1 ZINC000621995068 349619493 /nfs/dbraw/zinc/61/94/93/349619493.db2.gz SIYLJIJRSFSOHA-UHFFFAOYSA-N -1 1 273.361 3.055 20 0 CGADMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000290331402 197673652 /nfs/dbraw/zinc/67/36/52/197673652.db2.gz KGRLZWQWLDABQZ-NXEZZACHSA-N -1 1 283.318 3.227 20 0 CGADMM CC[C@H](NC(=O)c1cc2ccccc2cc1[O-])[C@H]1CCCO1 ZINC000436600682 529562777 /nfs/dbraw/zinc/56/27/77/529562777.db2.gz ASMRQCPUXRFLRK-DOTOQJQBSA-N -1 1 299.370 3.233 20 0 CGADMM CCc1cc(=O)[n-]c(SCCO[C@@H]2CCCC[C@@H]2C)n1 ZINC000436201029 529566871 /nfs/dbraw/zinc/56/68/71/529566871.db2.gz ZXYJIPMCZZRCPK-WCQYABFASA-N -1 1 296.436 3.432 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2c(F)cccc2F)n1 ZINC000436182308 529567352 /nfs/dbraw/zinc/56/73/52/529567352.db2.gz GNPBPTJPASMGBE-UHFFFAOYSA-N -1 1 282.315 3.315 20 0 CGADMM CCc1ccnc(-c2nc3ccc(C)cc3c(=O)[n-]2)c1 ZINC000358830326 529623609 /nfs/dbraw/zinc/62/36/09/529623609.db2.gz PSXZFEMAILKVDK-UHFFFAOYSA-N -1 1 265.316 3.268 20 0 CGADMM Cc1ccc(-c2nc(C(=O)[N-]c3cnoc3)cs2)cc1 ZINC000623942165 349922929 /nfs/dbraw/zinc/92/29/29/349922929.db2.gz YNTRORYYQANUOI-UHFFFAOYSA-N -1 1 285.328 3.359 20 0 CGADMM O=c1nc(-c2ccon2)[n-]c2sc(-c3ccccc3)cc21 ZINC000074797451 345483057 /nfs/dbraw/zinc/48/30/57/345483057.db2.gz NZPVMVLRRMYOAK-UHFFFAOYSA-N -1 1 295.323 3.307 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC000107168973 345934186 /nfs/dbraw/zinc/93/41/86/345934186.db2.gz SEKDMVHENFFEAV-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CCCC[C@H](CC)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000117242324 345982746 /nfs/dbraw/zinc/98/27/46/345982746.db2.gz XDLVMOHGRWLDJP-QMMMGPOBSA-N -1 1 292.305 3.369 20 0 CGADMM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cncc([O-])c1 ZINC000175278979 232316558 /nfs/dbraw/zinc/31/65/58/232316558.db2.gz VKTKMNKZBABLSU-UHFFFAOYSA-N -1 1 295.298 3.058 20 0 CGADMM O=C(c1ccc(O)cc1[O-])N(CC1CC1)c1ccccc1 ZINC000175384377 232318734 /nfs/dbraw/zinc/31/87/34/232318734.db2.gz YLVOBIFHWSIOFE-UHFFFAOYSA-N -1 1 283.327 3.155 20 0 CGADMM COc1ccc(Cl)cc1C[N@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000129348677 346048622 /nfs/dbraw/zinc/04/86/22/346048622.db2.gz MABGWGZKCCCPQB-GWCFXTLKSA-N -1 1 297.782 3.034 20 0 CGADMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cncc([O-])c2)c1 ZINC000178079870 232381086 /nfs/dbraw/zinc/38/10/86/232381086.db2.gz XKAROPSLERYPCV-KRWDZBQOSA-N -1 1 296.370 3.381 20 0 CGADMM C[C@H](c1ccccc1Cl)N1CCSC[C@H]1CC(=O)[O-] ZINC000251591050 346389433 /nfs/dbraw/zinc/38/94/33/346389433.db2.gz XQLKPFKMCPAHDO-GHMZBOCLSA-N -1 1 299.823 3.293 20 0 CGADMM CCC1(NC(=O)c2ccc(Br)c([O-])c2)CCC1 ZINC000227037778 282521396 /nfs/dbraw/zinc/52/13/96/282521396.db2.gz UNKKDYREMQAYAD-UHFFFAOYSA-N -1 1 298.180 3.217 20 0 CGADMM Cc1cccc(CCC(=O)Nc2c([O-])cccc2F)c1 ZINC000605440581 348155935 /nfs/dbraw/zinc/15/59/35/348155935.db2.gz WGMKZDCOLLWWAO-UHFFFAOYSA-N -1 1 273.307 3.411 20 0 CGADMM CC(C)c1nc(=NC[C@@H](c2ccccc2)C(C)C)o[n-]1 ZINC000605691151 348166349 /nfs/dbraw/zinc/16/63/49/348166349.db2.gz PXPSYFMYHGALFM-CQSZACIVSA-N -1 1 273.380 3.467 20 0 CGADMM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1c([O-])cccc1F ZINC000608367461 348302186 /nfs/dbraw/zinc/30/21/86/348302186.db2.gz RBUVBEDARDQCGR-JTQLQIEISA-N -1 1 291.297 3.488 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000615219090 348723648 /nfs/dbraw/zinc/72/36/48/348723648.db2.gz PPQKZMRUAXHNHB-ZIAGYGMSSA-N -1 1 299.374 3.336 20 0 CGADMM CCN(C(=O)c1ncc2ccccc2c1[O-])[C@H](C)C(C)C ZINC000615007677 348706587 /nfs/dbraw/zinc/70/65/87/348706587.db2.gz UEGRVSNNYAZETD-GFCCVEGCSA-N -1 1 286.375 3.447 20 0 CGADMM COc1cc(C(=O)NCCCC2CCC2)cc(Cl)c1[O-] ZINC000618618554 349125716 /nfs/dbraw/zinc/12/57/16/349125716.db2.gz PSDCSLSQCVZGOI-UHFFFAOYSA-N -1 1 297.782 3.364 20 0 CGADMM CCC1(CC)CCCN(C(=O)c2ncc(C)cc2[O-])C1 ZINC000618667958 349138127 /nfs/dbraw/zinc/13/81/27/349138127.db2.gz HRLYVLQWRKOQOK-UHFFFAOYSA-N -1 1 276.380 3.138 20 0 CGADMM Cc1ccccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000359026867 233245128 /nfs/dbraw/zinc/24/51/28/233245128.db2.gz BDTVIPPOFQSGHB-UHFFFAOYSA-N -1 1 293.326 3.343 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C1CCCCCC1 ZINC000628960434 350626209 /nfs/dbraw/zinc/62/62/09/350626209.db2.gz IARQBDXCLWHYKI-UHFFFAOYSA-N -1 1 251.301 3.440 20 0 CGADMM CC(C)C[C@@H](C)OCCC(=O)Nc1cccc(F)c1[O-] ZINC000628960634 350626250 /nfs/dbraw/zinc/62/62/50/350626250.db2.gz NTGFJETXTQGRFL-LLVKDONJSA-N -1 1 283.343 3.311 20 0 CGADMM CCc1cc(=O)[n-]c(S[C@H]2CCCC[C@@H]2C)n1 ZINC000629175923 350663253 /nfs/dbraw/zinc/66/32/53/350663253.db2.gz SIDXCVUINCRRAS-ONGXEEELSA-N -1 1 252.383 3.415 20 0 CGADMM C[C@H]1CCC[C@H]1CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629378188 350684229 /nfs/dbraw/zinc/68/42/29/350684229.db2.gz BXVJIKRKNGPXSS-STQMWFEESA-N -1 1 299.374 3.343 20 0 CGADMM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629379665 350685221 /nfs/dbraw/zinc/68/52/21/350685221.db2.gz HAPVEINRXSLRNR-PXAZEXFGSA-N -1 1 299.374 3.343 20 0 CGADMM O=C([O-])CCC1CCN(Cc2cc(O)ccc2Cl)CC1 ZINC000629490477 350696185 /nfs/dbraw/zinc/69/61/85/350696185.db2.gz UHQSCYAXTOUQIA-UHFFFAOYSA-N -1 1 297.782 3.122 20 0 CGADMM COC1(CSc2nc(C)c(C3CC3)c(=O)[n-]2)CCCC1 ZINC000631023447 350927015 /nfs/dbraw/zinc/92/70/15/350927015.db2.gz RHAWPNGATINULO-UHFFFAOYSA-N -1 1 294.420 3.419 20 0 CGADMM Cc1nc(SCCCc2cnoc2)[n-]c(=O)c1C1CC1 ZINC000631023799 350927631 /nfs/dbraw/zinc/92/76/31/350927631.db2.gz XMZFXFPNGQBHBK-UHFFFAOYSA-N -1 1 291.376 3.081 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCC1CCCC1 ZINC000630685102 350869915 /nfs/dbraw/zinc/86/99/15/350869915.db2.gz RHGHCPJOEUCDQO-UHFFFAOYSA-N -1 1 281.783 3.285 20 0 CGADMM CC[C@H]1CCCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000630726186 350879473 /nfs/dbraw/zinc/87/94/73/350879473.db2.gz BMKNBXOIHUQZHV-NSHDSACASA-N -1 1 281.783 3.237 20 0 CGADMM CCC[C@@H](CC)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630846272 350897684 /nfs/dbraw/zinc/89/76/84/350897684.db2.gz IOQSWSYMLMLQJZ-LLVKDONJSA-N -1 1 269.772 3.283 20 0 CGADMM CC[C@@H](C)Cc1noc(-c2cc(F)ccc2[O-])n1 ZINC000632248504 351185518 /nfs/dbraw/zinc/18/55/18/351185518.db2.gz SFALBQXTORIGFA-MRVPVSSYSA-N -1 1 250.273 3.170 20 0 CGADMM O=S(=O)([N-][C@H]1CCCC12CC2)c1sccc1Cl ZINC000632613992 351206741 /nfs/dbraw/zinc/20/67/41/351206741.db2.gz ZDQUNUGZLBXDRI-VIFPVBQESA-N -1 1 291.825 3.013 20 0 CGADMM CC(C)=CCCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632739463 351211806 /nfs/dbraw/zinc/21/18/06/351211806.db2.gz YCPPMAHEUGSHRT-UHFFFAOYSA-N -1 1 267.756 3.061 20 0 CGADMM C[C@@H](C1CC1)N(C(=O)c1cncc([O-])c1)c1ccccc1 ZINC000633846266 351391047 /nfs/dbraw/zinc/39/10/47/351391047.db2.gz WLIBDFZTXQNGGP-LBPRGKRZSA-N -1 1 282.343 3.233 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccccc3Br)c(=O)c21 ZINC000634588314 351526024 /nfs/dbraw/zinc/52/60/24/351526024.db2.gz PBWFYOBMAVBXPD-PRHODGIISA-N -1 1 293.164 3.198 20 0 CGADMM CCc1c(=O)n(Cc2cccc(F)c2)[n-]c1C(C)C ZINC000634589675 351528002 /nfs/dbraw/zinc/52/80/02/351528002.db2.gz FCMBBMYPOIDLHD-CYBMUJFWSA-N -1 1 262.328 3.206 20 0 CGADMM C[C@@H](COc1ccccc1)n1[n-]c2c(c1=O)CCCCC2 ZINC000634629301 351552052 /nfs/dbraw/zinc/55/20/52/351552052.db2.gz QVDPKFNBGUFXGZ-ZFWWWQNUSA-N -1 1 286.375 3.232 20 0 CGADMM CN(C)c1ccccc1Cn1[n-]c2c(c1=O)CCCCC2 ZINC000634596181 351532203 /nfs/dbraw/zinc/53/22/03/351532203.db2.gz YGXXXLBGRMYUOT-CQSZACIVSA-N -1 1 285.391 3.031 20 0 CGADMM C[C@H]1CCc2[n-]n(Cc3ccccc3Cl)c(=O)c2C1 ZINC000634597205 351533616 /nfs/dbraw/zinc/53/36/16/351533616.db2.gz DSHDLJLUVCMEIW-CMPLNLGQSA-N -1 1 276.767 3.474 20 0 CGADMM C[C@@H]1CCc2[n-]n(Cc3ccc(F)cc3F)c(=O)c2C1 ZINC000634601725 351536362 /nfs/dbraw/zinc/53/63/62/351536362.db2.gz UYXZDVOAJIBENJ-SKDRFNHKSA-N -1 1 278.302 3.099 20 0 CGADMM CCCc1c(C)[n-]n(Cc2cccc(Cl)c2)c1=O ZINC000634604458 351538843 /nfs/dbraw/zinc/53/88/43/351538843.db2.gz HNEUMMMMZJLPLK-CYBMUJFWSA-N -1 1 264.756 3.474 20 0 CGADMM CCCc1[n-]n(-c2ccc3c(cc[nH]c3=O)c2)c(=O)c1CC ZINC000634611222 351541225 /nfs/dbraw/zinc/54/12/25/351541225.db2.gz PYZVSLZEYASBCP-ZDUSSCGKSA-N -1 1 297.358 3.057 20 0 CGADMM CC(C)[C@@H]1CCc2[n-]n([C@@H]3CCOC(C)(C)C3)c(=O)c2C1 ZINC000634621294 351548424 /nfs/dbraw/zinc/54/84/24/351548424.db2.gz DSZZWOUOWPKTNA-MCIONIFRSA-N -1 1 292.423 3.215 20 0 CGADMM FC(F)(F)c1nc(=N[C@@H]2CC23CCCCC3)s[n-]1 ZINC000342934614 303120362 /nfs/dbraw/zinc/12/03/62/303120362.db2.gz QQACHEPNOSMSSA-SSDOTTSWSA-N -1 1 277.315 3.114 20 0 CGADMM Cc1nc(C2CC2)oc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000336445661 213310139 /nfs/dbraw/zinc/31/01/39/213310139.db2.gz RMIMEIRVUZENSQ-UHFFFAOYSA-N -1 1 292.722 3.472 20 0 CGADMM CC[C@H](C(=O)[N-]OCCC(F)(F)F)c1ccc(F)cc1 ZINC000154894299 188167818 /nfs/dbraw/zinc/16/78/18/188167818.db2.gz VDVHILVYDHFNCJ-NSHDSACASA-N -1 1 293.260 3.320 20 0 CGADMM Cc1ccc(C[C@@H](C)NC(=O)c2ccc([O-])cc2F)s1 ZINC000154912882 188170221 /nfs/dbraw/zinc/17/02/21/188170221.db2.gz DJUUDIDGLLIFFV-SECBINFHSA-N -1 1 293.363 3.262 20 0 CGADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc([O-])cc2F)C1 ZINC000154962039 188173067 /nfs/dbraw/zinc/17/30/67/188173067.db2.gz YNJIXOXAYUXEKG-ZYHUDNBSSA-N -1 1 297.395 3.325 20 0 CGADMM Cc1ccoc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000336378705 213232948 /nfs/dbraw/zinc/23/29/48/213232948.db2.gz ARJKBSXUCQLSSJ-UHFFFAOYSA-N -1 1 251.669 3.199 20 0 CGADMM CCOc1cc(C(=O)N2C[C@@H](C)[C@H](C)C2)cc(Cl)c1[O-] ZINC000273802445 192314352 /nfs/dbraw/zinc/31/43/52/192314352.db2.gz BGUXFHNZPQTBPR-NXEZZACHSA-N -1 1 297.782 3.172 20 0 CGADMM CCN(C(=O)c1cncc([O-])c1)c1cccc(Cl)c1 ZINC000336314677 213157309 /nfs/dbraw/zinc/15/73/09/213157309.db2.gz AYSJQTOYTYLALE-UHFFFAOYSA-N -1 1 276.723 3.107 20 0 CGADMM C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000424752910 236187818 /nfs/dbraw/zinc/18/78/18/236187818.db2.gz PCCGNUISIUUYKX-KOLCDFICSA-N -1 1 251.301 3.296 20 0 CGADMM NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000336043253 212847391 /nfs/dbraw/zinc/84/73/91/212847391.db2.gz UJAKPLNQGFQYTK-RKDXNWHRSA-N -1 1 296.754 3.326 20 0 CGADMM C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436852359 237198721 /nfs/dbraw/zinc/19/87/21/237198721.db2.gz PGXVSVXYNDREJC-MWLCHTKSSA-N -1 1 267.756 3.306 20 0 CGADMM C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C ZINC000177069895 189026286 /nfs/dbraw/zinc/02/62/86/189026286.db2.gz HFFDPQQDFRTKDB-NEPJUHHUSA-N -1 1 269.344 3.416 20 0 CGADMM CC(=O)CCCCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000450956766 240170258 /nfs/dbraw/zinc/17/02/58/240170258.db2.gz IZKVQQUFJKHPDJ-UHFFFAOYSA-N -1 1 290.335 3.361 20 0 CGADMM C[C@H](CC(F)(F)F)C(=O)Nc1ccc(F)cc1[O-] ZINC000457683562 241724932 /nfs/dbraw/zinc/72/49/32/241724932.db2.gz YGVXZNYAYGYPHS-ZCFIWIBFSA-N -1 1 265.206 3.058 20 0 CGADMM C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459348152 242082297 /nfs/dbraw/zinc/08/22/97/242082297.db2.gz WKSUGMKSSHIQGL-LBPRGKRZSA-N -1 1 295.386 3.006 20 0 CGADMM [O-]c1cccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c1Br ZINC000459567968 242133323 /nfs/dbraw/zinc/13/33/23/242133323.db2.gz ZBEMGVUDKOLOIO-RYUDHWBXSA-N -1 1 296.208 3.290 20 0 CGADMM C[C@@H]1CCN(Cc2cc(F)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000335537824 212236774 /nfs/dbraw/zinc/23/67/74/212236774.db2.gz DYPJPLJMLSNOSM-BXKDBHETSA-N -1 1 285.746 3.022 20 0 CGADMM CO[C@H](C)c1nc(=NC[C@@H]2CCC[C@H](C)[C@@H]2C)s[n-]1 ZINC000509857262 294342241 /nfs/dbraw/zinc/34/22/41/294342241.db2.gz ZSEPZEXYELRXNC-YFKTTZPYSA-N -1 1 283.441 3.152 20 0 CGADMM CCC[C@@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000481326371 243187547 /nfs/dbraw/zinc/18/75/47/243187547.db2.gz YBXKVXYPVPFEHS-ZCFIWIBFSA-N -1 1 266.288 3.482 20 0 CGADMM CCc1cccc(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000016640027 368718984 /nfs/dbraw/zinc/71/89/84/368718984.db2.gz MNBVAHKGLCICDB-UHFFFAOYSA-N -1 1 271.316 3.216 20 0 CGADMM CCCOc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000032599805 368937599 /nfs/dbraw/zinc/93/75/99/368937599.db2.gz CJEGQPBFAXMWLO-UHFFFAOYSA-N -1 1 291.372 3.276 20 0 CGADMM Cc1cccnc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000276592250 193393538 /nfs/dbraw/zinc/39/35/38/193393538.db2.gz NEXGXZKQJCKNJI-UHFFFAOYSA-N -1 1 273.361 3.055 20 0 CGADMM CN(Cc1cccnc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000097029119 370216404 /nfs/dbraw/zinc/21/64/04/370216404.db2.gz LBHPFFPUTZAGRZ-UHFFFAOYSA-N -1 1 292.338 3.213 20 0 CGADMM CC[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000109042714 370359629 /nfs/dbraw/zinc/35/96/29/370359629.db2.gz OJVJKUNOBNSQCU-AWEZNQCLSA-N -1 1 290.750 3.322 20 0 CGADMM [O-]c1ccc(F)cc1-c1nc(-c2ccccc2F)no1 ZINC000132983202 371217871 /nfs/dbraw/zinc/21/78/71/371217871.db2.gz XOTLAWCQAWIIDE-UHFFFAOYSA-N -1 1 274.226 3.387 20 0 CGADMM CCSc1cccc(C(=O)Nc2ccncc2[O-])c1 ZINC000153836465 371792406 /nfs/dbraw/zinc/79/24/06/371792406.db2.gz FSWPANZSMARCCB-UHFFFAOYSA-N -1 1 274.345 3.152 20 0 CGADMM C[C@H]1CCC[C@@H](CNC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000290527145 372009127 /nfs/dbraw/zinc/00/91/27/372009127.db2.gz XWSVXPWLLGXZPU-VHSXEESVSA-N -1 1 283.318 3.227 20 0 CGADMM [O-]c1cccc(CNCc2noc3c2CCCC3)c1Cl ZINC000292981468 372267279 /nfs/dbraw/zinc/26/72/79/372267279.db2.gz NCZOAHSEMMYYTD-UHFFFAOYSA-N -1 1 292.766 3.202 20 0 CGADMM CCOc1cc(-c2noc([C@H](C)OC)n2)cc(Cl)c1[O-] ZINC000293215134 372328560 /nfs/dbraw/zinc/32/85/60/372328560.db2.gz POVDMPBMPGFNEQ-ZETCQYMHSA-N -1 1 298.726 3.202 20 0 CGADMM Cc1cc(C)n(CCC[NH2+]Cc2cccc([O-])c2Cl)n1 ZINC000293944724 372532673 /nfs/dbraw/zinc/53/26/73/372532673.db2.gz BIPOLPVMPRLXDO-UHFFFAOYSA-N -1 1 293.798 3.039 20 0 CGADMM O=C(NC[C@H]1CCCCC1(F)F)c1c([O-])cccc1F ZINC000295492377 372801961 /nfs/dbraw/zinc/80/19/61/372801961.db2.gz SHRSWDDIMCQTQE-SECBINFHSA-N -1 1 287.281 3.087 20 0 CGADMM CCC1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000442972375 373138300 /nfs/dbraw/zinc/13/83/00/373138300.db2.gz LUBUHRQNTBXVBE-UHFFFAOYSA-N -1 1 297.782 3.316 20 0 CGADMM Cc1ccc(F)c(-c2cc(=NC(=O)c3ccccc3)[nH][n-]2)c1 ZINC000444783126 373275254 /nfs/dbraw/zinc/27/52/54/373275254.db2.gz JVGIYKDMVFKJDF-UHFFFAOYSA-N -1 1 295.317 3.198 20 0 CGADMM CCCc1cc(=O)[n-]c(SC[C@@H]2CCO[C@H](C)C2)n1 ZINC000447287195 373416081 /nfs/dbraw/zinc/41/60/81/373416081.db2.gz XFEXJGOZMLMOEA-GHMZBOCLSA-N -1 1 282.409 3.042 20 0 CGADMM C[C@H](C1CC1)n1cc([N-]c2nc(C3CC3)ns2)cn1 ZINC000302485053 373877230 /nfs/dbraw/zinc/87/72/30/373877230.db2.gz YGOPTATUMUONIJ-MRVPVSSYSA-N -1 1 275.381 3.327 20 0 CGADMM O=C(Nc1c[nH]nc1-c1ccccc1)c1ccccc1[O-] ZINC000179905060 373935806 /nfs/dbraw/zinc/93/58/06/373935806.db2.gz HBCZNKFYXALPEF-UHFFFAOYSA-N -1 1 279.299 3.035 20 0 CGADMM CC(=O)c1[n-]c(=N[C@H](C)c2ccccc2)sc1C ZINC000450209854 373998826 /nfs/dbraw/zinc/99/88/26/373998826.db2.gz YOYYZUYKGKVBJE-SECBINFHSA-N -1 1 260.362 3.249 20 0 CGADMM Cc1csc(CSc2nc(C(F)F)cc(=O)[n-]2)n1 ZINC000289506188 197382125 /nfs/dbraw/zinc/38/21/25/197382125.db2.gz LFBCMJGIWUJVNJ-UHFFFAOYSA-N -1 1 289.332 3.177 20 0 CGADMM O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc([O-])cc1F ZINC000181106744 374080541 /nfs/dbraw/zinc/08/05/41/374080541.db2.gz OAAVUQRNLKDUEZ-INIZCTEOSA-N -1 1 285.318 3.412 20 0 CGADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc2c(c1)CCCC2 ZINC000316354767 374333558 /nfs/dbraw/zinc/33/35/58/374333558.db2.gz RTAIPMICRCGFHL-GFCCVEGCSA-N -1 1 296.370 3.157 20 0 CGADMM CCSCc1cc(C(=O)[N-]c2c(F)cccc2F)no1 ZINC000184626033 374544384 /nfs/dbraw/zinc/54/43/84/374544384.db2.gz WPCVKWNLKILGOJ-UHFFFAOYSA-N -1 1 298.314 3.458 20 0 CGADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCCOC1 ZINC000332499534 374578930 /nfs/dbraw/zinc/57/89/30/374578930.db2.gz QUHMBVSYFBQBNH-TZMCWYRMSA-N -1 1 299.370 3.090 20 0 CGADMM COC(=O)c1c[n-]c(S[C@H](C)c2ccc(F)cc2)n1 ZINC000187599969 375053207 /nfs/dbraw/zinc/05/32/07/375053207.db2.gz NWIYEPHVLGBCQC-MRVPVSSYSA-N -1 1 280.324 3.189 20 0 CGADMM CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000335214689 375234650 /nfs/dbraw/zinc/23/46/50/375234650.db2.gz HAJWTONLUDIVLY-IUCAKERBSA-N -1 1 269.291 3.435 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CC12CCSCC2 ZINC000335221361 375240022 /nfs/dbraw/zinc/24/00/22/375240022.db2.gz XHTHRYPTUGYYKQ-QMMMGPOBSA-N -1 1 299.342 3.142 20 0 CGADMM C[C@H]1CCN(Cc2ccc(F)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000335445798 375300048 /nfs/dbraw/zinc/30/00/48/375300048.db2.gz ZHWZDKPPXGEPJY-GXSJLCMTSA-N -1 1 285.746 3.022 20 0 CGADMM C[C@H](NC(=O)Nc1ccc([O-])c(Cl)c1)C(C)(F)F ZINC000335451055 375304661 /nfs/dbraw/zinc/30/46/61/375304661.db2.gz NIWGUJKGQSNTPM-LURJTMIESA-N -1 1 278.686 3.211 20 0 CGADMM Cc1cnccc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000189338324 375370532 /nfs/dbraw/zinc/37/05/32/375370532.db2.gz PCXSADXCZHELTB-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccncc1 ZINC000190982042 375559029 /nfs/dbraw/zinc/55/90/29/375559029.db2.gz QFLONOCIAJZPRP-UHFFFAOYSA-N -1 1 276.361 3.006 20 0 CGADMM COc1cc(C(=O)NC2CCCCC2)cc(Cl)c1[O-] ZINC000335965686 375577532 /nfs/dbraw/zinc/57/75/32/375577532.db2.gz ZCZADTPRDDIGKO-UHFFFAOYSA-N -1 1 283.755 3.117 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)cn1 ZINC000191958409 375684695 /nfs/dbraw/zinc/68/46/95/375684695.db2.gz DSXOKCWJRGANOP-QMMMGPOBSA-N -1 1 294.713 3.071 20 0 CGADMM COc1cc(C(=O)N2C[C@H](C)CC2(C)C)cc(Cl)c1[O-] ZINC000336170906 375746954 /nfs/dbraw/zinc/74/69/54/375746954.db2.gz LBXIYJCLGVLIFR-SECBINFHSA-N -1 1 297.782 3.315 20 0 CGADMM COc1cc(C(=O)N2C[C@@H](C)CC2(C)C)cc(Cl)c1[O-] ZINC000336170907 375747250 /nfs/dbraw/zinc/74/72/50/375747250.db2.gz LBXIYJCLGVLIFR-VIFPVBQESA-N -1 1 297.782 3.315 20 0 CGADMM CCN(C(=O)c1ccc(O)cc1[O-])c1cc(C)cc(C)c1 ZINC000192477335 375753777 /nfs/dbraw/zinc/75/37/77/375753777.db2.gz KFHJVKFUQQNPDI-UHFFFAOYSA-N -1 1 285.343 3.381 20 0 CGADMM CCc1cc([N-]S(=O)(=O)c2ccsc2)ccc1C ZINC000507886103 375728037 /nfs/dbraw/zinc/72/80/37/375728037.db2.gz GQCLHUXZWVEKTL-UHFFFAOYSA-N -1 1 281.402 3.420 20 0 CGADMM O=C(c1cc2ccccc2cc1[O-])N1CCC=C(F)C1 ZINC000336560864 375832328 /nfs/dbraw/zinc/83/23/28/375832328.db2.gz VBHDSIUQYNQYAW-UHFFFAOYSA-N -1 1 271.291 3.245 20 0 CGADMM Cc1cnc(SCCCc2cccc(F)c2)[n-]c1=O ZINC000520611934 375867572 /nfs/dbraw/zinc/86/75/72/375867572.db2.gz WBNDXNVTVBRBOG-UHFFFAOYSA-N -1 1 278.352 3.355 20 0 CGADMM Cc1nnc([C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)s1 ZINC000195084314 376075570 /nfs/dbraw/zinc/07/55/70/376075570.db2.gz OXNIINCTDLMNOB-ZCFIWIBFSA-N -1 1 294.405 3.073 20 0 CGADMM C[C@@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000132830908 542077489 /nfs/dbraw/zinc/07/74/89/542077489.db2.gz VCFQTTMYOFGSKE-SECBINFHSA-N -1 1 298.180 3.027 20 0 CGADMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sccc2F)CC1 ZINC000338965758 376605610 /nfs/dbraw/zinc/60/56/10/376605610.db2.gz SACXBRDBUCZLBE-NXEZZACHSA-N -1 1 291.413 3.134 20 0 CGADMM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2F)CC1 ZINC000338965759 376606008 /nfs/dbraw/zinc/60/60/08/376606008.db2.gz SACXBRDBUCZLBE-UWVGGRQHSA-N -1 1 291.413 3.134 20 0 CGADMM CCc1occc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000234188591 376611775 /nfs/dbraw/zinc/61/17/75/376611775.db2.gz YKWRBAXFPRARNJ-UHFFFAOYSA-N -1 1 265.696 3.453 20 0 CGADMM CCCN(C(=O)c1cncc([O-])c1)[C@@H]1CCc2ccccc21 ZINC000339828396 376864217 /nfs/dbraw/zinc/86/42/17/376864217.db2.gz JGTFBCVSNUJFHI-QGZVFWFLSA-N -1 1 296.370 3.327 20 0 CGADMM O=C(NC1(c2ccccc2)CCCCC1)c1cncc([O-])c1 ZINC000339954629 376879763 /nfs/dbraw/zinc/87/97/63/376879763.db2.gz PIQRHEUHNHULMV-UHFFFAOYSA-N -1 1 296.370 3.377 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cccc2ncccc21 ZINC000340331859 377006978 /nfs/dbraw/zinc/00/69/78/377006978.db2.gz CGKDCYCUIIEAPQ-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM CCOC[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000313458642 249092361 /nfs/dbraw/zinc/09/23/61/249092361.db2.gz IYSFYBOHRPJZFW-GFCCVEGCSA-N -1 1 297.782 3.077 20 0 CGADMM O=C(NC1(CF)CCC1)c1ccc2ccccc2c1[O-] ZINC000517938690 249273344 /nfs/dbraw/zinc/27/33/44/249273344.db2.gz AWJOHLIAUXZFBR-UHFFFAOYSA-N -1 1 273.307 3.167 20 0 CGADMM O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1[O-] ZINC000180549777 542211733 /nfs/dbraw/zinc/21/17/33/542211733.db2.gz FHLFOIYLVCRJQL-UHFFFAOYSA-N -1 1 282.221 3.058 20 0 CGADMM CC[C@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)CCS1 ZINC000574644602 377689946 /nfs/dbraw/zinc/68/99/46/377689946.db2.gz KANOJJNWZGLORJ-LBPRGKRZSA-N -1 1 299.823 3.366 20 0 CGADMM Cc1cc(CN(C)Cc2ccc(F)cc2C)oc1C(=O)[O-] ZINC000574697511 377696861 /nfs/dbraw/zinc/69/68/61/377696861.db2.gz SUCLZZYSXNKILE-UHFFFAOYSA-N -1 1 291.322 3.366 20 0 CGADMM CC[C@H](NCc1ccc(C(=O)[O-])cc1)c1c(C)noc1C ZINC000263583223 377948379 /nfs/dbraw/zinc/94/83/79/377948379.db2.gz ZQRCILYDMKLSCB-AWEZNQCLSA-N -1 1 288.347 3.231 20 0 CGADMM C[C@H]1SCCN(Cc2c(Cl)cccc2C(=O)[O-])[C@H]1C ZINC000582306484 378301488 /nfs/dbraw/zinc/30/14/88/378301488.db2.gz QVMPRHKKAWFADD-VHSXEESVSA-N -1 1 299.823 3.364 20 0 CGADMM CCc1nc(SCc2ncccc2C)[n-]c(=O)c1C ZINC000582371432 378308090 /nfs/dbraw/zinc/30/80/90/378308090.db2.gz YRPJWLDIUJNIDL-UHFFFAOYSA-N -1 1 275.377 3.049 20 0 CGADMM CN(Cc1cccc(C(=O)[O-])c1Cl)[C@@H]1CC1(C)C ZINC000584534725 378392678 /nfs/dbraw/zinc/39/26/78/378392678.db2.gz BYOVMXSHOHOCHJ-LLVKDONJSA-N -1 1 267.756 3.269 20 0 CGADMM CC(C)(C)CCCNC(=O)c1c(F)ccc([O-])c1F ZINC000584556673 378393762 /nfs/dbraw/zinc/39/37/62/378393762.db2.gz OYLXNIAVYYYCSI-UHFFFAOYSA-N -1 1 271.307 3.227 20 0 CGADMM O=C(NC1(Cc2ccccc2)CCCC1)c1cncc([O-])c1 ZINC000346849432 378694594 /nfs/dbraw/zinc/69/45/94/378694594.db2.gz SGWOBCGEWYKRGK-UHFFFAOYSA-N -1 1 296.370 3.073 20 0 CGADMM O=C(NC/C=C/c1ccccc1)c1c(F)ccc([O-])c1F ZINC000348528867 378977366 /nfs/dbraw/zinc/97/73/66/378977366.db2.gz CKDFULOEBOOVJV-QPJJXVBHSA-N -1 1 289.281 3.114 20 0 CGADMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1c(F)ccc([O-])c1F ZINC000348737501 379036014 /nfs/dbraw/zinc/03/60/14/379036014.db2.gz DIMVPBUHWMKKJC-GMTAPVOTSA-N -1 1 295.329 3.369 20 0 CGADMM COCCC(C)(C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000277891463 379259517 /nfs/dbraw/zinc/25/95/17/379259517.db2.gz CYNGRFQVLGCUSE-UHFFFAOYSA-N -1 1 296.754 3.410 20 0 CGADMM CCc1onc(C)c1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000350815101 379589506 /nfs/dbraw/zinc/58/95/06/379589506.db2.gz QYGDAJIHDZXYHS-UHFFFAOYSA-N -1 1 289.266 3.107 20 0 CGADMM CC[C@@H](CNC(=O)c1c([O-])cccc1F)CC(F)(F)F ZINC000402475119 379966087 /nfs/dbraw/zinc/96/60/87/379966087.db2.gz LFLCCWLLRVDGGN-MRVPVSSYSA-N -1 1 293.260 3.240 20 0 CGADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)[C@H](C)[C@H](C)O1 ZINC000353101242 380116197 /nfs/dbraw/zinc/11/61/97/380116197.db2.gz XBFBIZZMMTUVSU-MXWKQRLJSA-N -1 1 269.772 3.043 20 0 CGADMM [O-]c1cccc(CN2CCCC[C@H]2c2cc[nH]n2)c1Cl ZINC000353460177 380208017 /nfs/dbraw/zinc/20/80/17/380208017.db2.gz JHMPHRPVEHBVDA-ZDUSSCGKSA-N -1 1 291.782 3.496 20 0 CGADMM CO[C@@H](CN=c1[n-]c(C(F)(F)F)cs1)CC(C)C ZINC000418992955 380759411 /nfs/dbraw/zinc/75/94/11/380759411.db2.gz OQTSPZVRDFTWIU-MRVPVSSYSA-N -1 1 282.331 3.057 20 0 CGADMM COc1cc(Cl)cc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000645926881 380781530 /nfs/dbraw/zinc/78/15/30/380781530.db2.gz GKIRZRSKLRTHLG-UHFFFAOYSA-N -1 1 295.697 3.446 20 0 CGADMM CC(C)(NC(=O)c1ccc(Br)c([O-])c1)C1CC1 ZINC000227034593 542291868 /nfs/dbraw/zinc/29/18/68/542291868.db2.gz GWYHNERGFQFAHL-UHFFFAOYSA-N -1 1 298.180 3.073 20 0 CGADMM CCC[C@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000231314702 542304515 /nfs/dbraw/zinc/30/45/15/542304515.db2.gz ZABDOZDBMBUIHY-QMMMGPOBSA-N -1 1 286.169 3.073 20 0 CGADMM C[C@]1(c2nc(-c3ccc([O-])cc3Cl)no2)C[C@@H]1F ZINC000335249024 208025074 /nfs/dbraw/zinc/02/50/74/208025074.db2.gz MHNVVDGMKQXWLD-CABZTGNLSA-N -1 1 268.675 3.095 20 0 CGADMM O=C(c1cncc([O-])c1)N1CCCC[C@H]1c1ccccc1 ZINC000274050576 542372678 /nfs/dbraw/zinc/37/26/78/542372678.db2.gz PFZKABXJCAXKOA-INIZCTEOSA-N -1 1 282.343 3.155 20 0 CGADMM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cncc([O-])c1 ZINC000288544158 197108519 /nfs/dbraw/zinc/10/85/19/197108519.db2.gz HSQVJRSEFFUDJB-WCQYABFASA-N -1 1 276.380 3.074 20 0 CGADMM O=C(N[C@H]1CCC(F)(F)C1)c1ccc2ccccc2c1[O-] ZINC000314678851 542436761 /nfs/dbraw/zinc/43/67/61/542436761.db2.gz CIRXREBZEFCVDU-NSHDSACASA-N -1 1 291.297 3.463 20 0 CGADMM Cc1cnc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)c([O-])c1 ZINC000343633532 542501773 /nfs/dbraw/zinc/50/17/73/542501773.db2.gz TZMAEVVRKLKFDD-ZFWWWQNUSA-N -1 1 296.370 3.319 20 0 CGADMM O=C([O-])c1ccc(CN2CCc3sccc3C2)cc1 ZINC000021519443 391942911 /nfs/dbraw/zinc/94/29/11/391942911.db2.gz ZHNCCAXOWNCZLN-UHFFFAOYSA-N -1 1 273.357 3.005 20 0 CGADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])C[C@H](C)S1 ZINC000070387725 392182380 /nfs/dbraw/zinc/18/23/80/392182380.db2.gz HAMGHBKRKPKQMQ-DTORHVGOSA-N -1 1 285.796 3.012 20 0 CGADMM Cc1ccc(-c2ccc(CN[C@H](C(=O)[O-])C(C)C)o2)cc1 ZINC000262726349 131256568 /nfs/dbraw/zinc/25/65/68/131256568.db2.gz ZIMNLXSOOOOXCB-INIZCTEOSA-N -1 1 287.359 3.454 20 0 CGADMM CCC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1[O-])C(C)C ZINC000505731025 392691939 /nfs/dbraw/zinc/69/19/39/392691939.db2.gz GNEXJKHFEHDKGG-LBPRGKRZSA-N -1 1 293.363 3.190 20 0 CGADMM CCCC[C@@H]1CCC[C@@H]1N=c1nc([C@H](C)OC)[n-]s1 ZINC000509677870 392766415 /nfs/dbraw/zinc/76/64/15/392766415.db2.gz CATSAXRAPVBCEA-TUAOUCFPSA-N -1 1 283.441 3.438 20 0 CGADMM CC(=O)c1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000336344593 392849388 /nfs/dbraw/zinc/84/93/88/392849388.db2.gz KPSMNCKXRJBGMQ-UHFFFAOYSA-N -1 1 291.253 3.125 20 0 CGADMM COc1ncccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000195635660 392971516 /nfs/dbraw/zinc/97/15/16/392971516.db2.gz VZFMKLRNZCUKSH-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM Cc1cnc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000548299216 393190696 /nfs/dbraw/zinc/19/06/96/393190696.db2.gz OFVCEAOUQYPWIO-MELADBBJSA-N -1 1 288.391 3.136 20 0 CGADMM CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC000416545868 393315142 /nfs/dbraw/zinc/31/51/42/393315142.db2.gz IYGNHEPHZTZCDG-GXSJLCMTSA-N -1 1 293.841 3.114 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@H]1C1CCC1 ZINC000649196947 393371441 /nfs/dbraw/zinc/37/14/41/393371441.db2.gz APHCHDSGTZOMIR-HNNXBMFYSA-N -1 1 277.339 3.326 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCCC[C@@H]1C1CCC1 ZINC000649196948 393371696 /nfs/dbraw/zinc/37/16/96/393371696.db2.gz APHCHDSGTZOMIR-OAHLLOKOSA-N -1 1 277.339 3.326 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H](C)c2cnc(C)cn2)n1 ZINC000488275431 393478230 /nfs/dbraw/zinc/47/82/30/393478230.db2.gz XBARZVGKFZULBJ-JTQLQIEISA-N -1 1 290.392 3.086 20 0 CGADMM C[C@@H](CNc1ccnc2cc(C(F)(F)F)ccc21)C(=O)[O-] ZINC000649401861 393411814 /nfs/dbraw/zinc/41/18/14/393411814.db2.gz NCFLDALIXVDQHO-QMMMGPOBSA-N -1 1 298.264 3.386 20 0 CGADMM COCCC1(c2noc(-c3cc(F)ccc3[O-])n2)CCC1 ZINC000420515753 393494777 /nfs/dbraw/zinc/49/47/77/393494777.db2.gz UJRSZSOVBPMSLT-UHFFFAOYSA-N -1 1 292.310 3.040 20 0 CGADMM Cc1ccc(/C=C/C(=O)Nc2ccc([O-])c(Cl)c2)nc1 ZINC000492429944 393733867 /nfs/dbraw/zinc/73/38/67/393733867.db2.gz WWUNMHXRBJTJET-FNORWQNLSA-N -1 1 288.734 3.401 20 0 CGADMM O=C(/C=C/c1nc2ccccc2o1)Nc1ccc(F)cc1[O-] ZINC000492268155 393712393 /nfs/dbraw/zinc/71/23/93/393712393.db2.gz JEIAVANTHZBPGZ-BQYQJAHWSA-N -1 1 298.273 3.324 20 0 CGADMM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1c([O-])cccc1F ZINC000438609234 393727580 /nfs/dbraw/zinc/72/75/80/393727580.db2.gz HVFRDJVRBPHLQA-SECBINFHSA-N -1 1 293.260 3.238 20 0 CGADMM Cc1cccnc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445451239 393794986 /nfs/dbraw/zinc/79/49/86/393794986.db2.gz CHBKDKGQJZHTSU-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM CCC(C)(C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445453689 393795603 /nfs/dbraw/zinc/79/56/03/393795603.db2.gz CFBGTMUJPQOIGD-UHFFFAOYSA-N -1 1 250.273 3.269 20 0 CGADMM CS[C@H](C)CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445460077 393796208 /nfs/dbraw/zinc/79/62/08/393796208.db2.gz MRYNRXBANYUSSN-MRVPVSSYSA-N -1 1 282.340 3.265 20 0 CGADMM CC(C)n1ccc(-c2nc(-c3ccc([O-])cc3F)no2)n1 ZINC000445457835 393796709 /nfs/dbraw/zinc/79/67/09/393796709.db2.gz UCVFHMWXCVBFAH-UHFFFAOYSA-N -1 1 288.282 3.026 20 0 CGADMM [O-]c1ccc(-c2noc(CCc3ccsc3)n2)cc1F ZINC000445469199 393797249 /nfs/dbraw/zinc/79/72/49/393797249.db2.gz AUNVVJKJMIJDBH-UHFFFAOYSA-N -1 1 290.319 3.428 20 0 CGADMM C/C(=C\c1nc(-c2ccc([O-])c(F)c2)no1)C1CC1 ZINC000445479400 393799193 /nfs/dbraw/zinc/79/91/93/393799193.db2.gz HIXOGQYJRNOHSG-SOFGYWHQSA-N -1 1 260.268 3.395 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])cc1F)[C@H]1CCC[C@H](C)C1 ZINC000457006859 394310107 /nfs/dbraw/zinc/31/01/07/394310107.db2.gz PRZPGEATGLFHQV-SRVKXCTJSA-N -1 1 279.355 3.476 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000047215451 397630983 /nfs/dbraw/zinc/63/09/83/397630983.db2.gz HDIRQJDTESUEJA-UHFFFAOYSA-N -1 1 261.346 3.104 20 0 CGADMM C[C@@H]1CN(Cc2cc(F)cc(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000388580353 397690929 /nfs/dbraw/zinc/69/09/29/397690929.db2.gz WCLLLZKRVQYLDD-RNCFNFMXSA-N -1 1 285.746 3.022 20 0 CGADMM O=C(NC[C@H]1CCCCC1(F)F)c1ccc([O-])c(F)c1 ZINC000650528310 397863872 /nfs/dbraw/zinc/86/38/72/397863872.db2.gz DMAPMCPWLKTLSA-SNVBAGLBSA-N -1 1 287.281 3.087 20 0 CGADMM O=C([O-])CC1(Nc2ccnc3cc(F)ccc32)CCC1 ZINC000650776583 397916596 /nfs/dbraw/zinc/91/65/96/397916596.db2.gz BBTGUJPJRBUFQU-UHFFFAOYSA-N -1 1 274.295 3.183 20 0 CGADMM CC(C)c1ccc(C(=O)Nc2nccs2)c([O-])c1 ZINC000048370883 286904298 /nfs/dbraw/zinc/90/42/98/286904298.db2.gz OJXSDKLWYIBZKE-UHFFFAOYSA-N -1 1 262.334 3.224 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2C)c1 ZINC000075082518 287021375 /nfs/dbraw/zinc/02/13/75/287021375.db2.gz GLUWUEOJGAJBJZ-UHFFFAOYSA-N -1 1 279.336 3.243 20 0 CGADMM COc1ccc(C(=O)Nc2ccc3nc(C)oc3c2)c([O-])c1 ZINC000079060373 287053512 /nfs/dbraw/zinc/05/35/12/287053512.db2.gz ZTMLJWDFMSFPIM-UHFFFAOYSA-N -1 1 298.298 3.103 20 0 CGADMM CC(C)Oc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000020473207 171216688 /nfs/dbraw/zinc/21/66/88/171216688.db2.gz CLPFWDVKNMAWCZ-UHFFFAOYSA-N -1 1 271.316 3.432 20 0 CGADMM CC(C)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])no1 ZINC000127049937 287279153 /nfs/dbraw/zinc/27/91/53/287279153.db2.gz QHEFPMPDJMEPPB-UHFFFAOYSA-N -1 1 280.711 3.409 20 0 CGADMM O=C([O-])C[C@@H]1CCCCN1Cc1c(F)cccc1Cl ZINC000038028000 174015639 /nfs/dbraw/zinc/01/56/39/174015639.db2.gz BJPBQEGXKSPWIJ-JTQLQIEISA-N -1 1 285.746 3.308 20 0 CGADMM C[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000040725174 174387083 /nfs/dbraw/zinc/38/70/83/174387083.db2.gz WTHZXCUCYQQQAR-NSHDSACASA-N -1 1 255.317 3.027 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc2ccccc2n1 ZINC000078807042 177390992 /nfs/dbraw/zinc/39/09/92/177390992.db2.gz AMJRXRPAKRBICG-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM C[C@H](Cc1ccsc1)NC(=O)c1cc(Cl)ccc1[O-] ZINC000048482160 416454606 /nfs/dbraw/zinc/45/46/06/416454606.db2.gz YTLBMMUDLRSXTC-SECBINFHSA-N -1 1 295.791 3.468 20 0 CGADMM CC(C)O[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000404545528 416553786 /nfs/dbraw/zinc/55/37/86/416553786.db2.gz SUVVUVRTRXHLIP-GFCCVEGCSA-N -1 1 297.782 3.075 20 0 CGADMM CN(C(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCSC1 ZINC000037175503 260072940 /nfs/dbraw/zinc/07/29/40/260072940.db2.gz JTDADKPLSIOVLC-GFCCVEGCSA-N -1 1 287.384 3.123 20 0 CGADMM O=C(Nc1nc(-c2ccccc2)c[nH]1)c1cc(F)ccc1[O-] ZINC000679170105 543596948 /nfs/dbraw/zinc/59/69/48/543596948.db2.gz RBOQOIQBKSIKIS-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(F)c(F)c1 ZINC000681016614 543756905 /nfs/dbraw/zinc/75/69/05/543756905.db2.gz VOWKAETYUYBRGO-QMMMGPOBSA-N -1 1 295.260 3.301 20 0 CGADMM CC[C@H]1CCCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000681018151 543757325 /nfs/dbraw/zinc/75/73/25/543757325.db2.gz KELLNEGAZWYOAO-GXFFZTMASA-N -1 1 265.328 3.230 20 0 CGADMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000681022871 543758726 /nfs/dbraw/zinc/75/87/26/543758726.db2.gz UHJPDCGUNSATIU-ZYHUDNBSSA-N -1 1 265.328 3.087 20 0 CGADMM CO[C@H](C)c1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000681039228 543759511 /nfs/dbraw/zinc/75/95/11/543759511.db2.gz RNVNALAFGCUYMM-SNVBAGLBSA-N -1 1 289.306 3.491 20 0 CGADMM C[C@H]1c2ccccc2CCN1C(=O)c1ccc([O-])c(F)c1 ZINC000681043630 543759737 /nfs/dbraw/zinc/75/97/37/543759737.db2.gz PUFWDXRKHYCGEE-NSHDSACASA-N -1 1 285.318 3.291 20 0 CGADMM C[C@H]1CCC[C@H](CCNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681047172 543760168 /nfs/dbraw/zinc/76/01/68/543760168.db2.gz JIMGFVASPJIIKH-NWDGAFQWSA-N -1 1 279.355 3.478 20 0 CGADMM C[C@@H]1CCC[C@H](CCNC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681047174 543760821 /nfs/dbraw/zinc/76/08/21/543760821.db2.gz JIMGFVASPJIIKH-VXGBXAGGSA-N -1 1 279.355 3.478 20 0 CGADMM Cc1ccccc1CC1CN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681054447 543761550 /nfs/dbraw/zinc/76/15/50/543761550.db2.gz OBRAUIBMOKJYEL-UHFFFAOYSA-N -1 1 299.345 3.154 20 0 CGADMM O=C(Nc1nc(-c2ccccc2)c[nH]1)c1ccc([O-])c(F)c1 ZINC000681064647 543763397 /nfs/dbraw/zinc/76/33/97/543763397.db2.gz TYMOIFLPQYXFJM-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM O=C([N-]c1c(F)cc(F)cc1F)c1coc(C2CC2)n1 ZINC000681600067 543796003 /nfs/dbraw/zinc/79/60/03/543796003.db2.gz SHOBGOQUBDQHFU-UHFFFAOYSA-N -1 1 282.221 3.222 20 0 CGADMM CCc1nc(C)c(NC(=O)c2ccc([O-])c(F)c2)s1 ZINC000681762369 543807548 /nfs/dbraw/zinc/80/75/48/543807548.db2.gz NRDNMJQTBXLGGY-UHFFFAOYSA-N -1 1 280.324 3.111 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc4c(c3)CCO4)no2)c(F)c1 ZINC000132044055 287395551 /nfs/dbraw/zinc/39/55/51/287395551.db2.gz UVGCZALYXLYSJI-UHFFFAOYSA-N -1 1 298.273 3.183 20 0 CGADMM COc1cc(F)c(F)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000685890915 544106356 /nfs/dbraw/zinc/10/63/56/544106356.db2.gz HFXMYBFBQCSUTK-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(Cl)cc1[O-] ZINC000019839912 287442668 /nfs/dbraw/zinc/44/26/68/287442668.db2.gz VHVMDDDJSNOYBN-AOOOYVTPSA-N -1 1 267.756 3.449 20 0 CGADMM C[C@@H](CN(Cc1c(F)cccc1Cl)C1CC1)C(=O)[O-] ZINC000652489451 418974737 /nfs/dbraw/zinc/97/47/37/418974737.db2.gz QFFSWFWYHPJLDX-VIFPVBQESA-N -1 1 285.746 3.164 20 0 CGADMM O=C([O-])c1coc(CN2CCC[C@H]2c2cccc(F)c2)c1 ZINC000652398425 418961743 /nfs/dbraw/zinc/96/17/43/418961743.db2.gz BFARZYPCLNGPTM-HNNXBMFYSA-N -1 1 289.306 3.454 20 0 CGADMM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(F)c1 ZINC000665666713 419146414 /nfs/dbraw/zinc/14/64/14/419146414.db2.gz FQIMLTONCHAJHR-DGCLKSJQSA-N -1 1 279.355 3.476 20 0 CGADMM C[C@@H]1CCN(Cc2c(Cl)cccc2C(=O)[O-])C[C@H](C)O1 ZINC000656765938 419212925 /nfs/dbraw/zinc/21/29/25/419212925.db2.gz PIMGSNKSDIDDEM-MNOVXSKESA-N -1 1 297.782 3.038 20 0 CGADMM Cc1cnc(SCCCOc2ccc(F)cc2)[n-]c1=O ZINC000657261681 419239471 /nfs/dbraw/zinc/23/94/71/419239471.db2.gz TVVWNNZNWYUTQO-UHFFFAOYSA-N -1 1 294.351 3.191 20 0 CGADMM O=C(NC[C@@H]1CCCC1(F)F)c1cc(Cl)ccc1[O-] ZINC000391099025 262380748 /nfs/dbraw/zinc/38/07/48/262380748.db2.gz SZLWMTZSXABCDT-QMMMGPOBSA-N -1 1 289.709 3.211 20 0 CGADMM Cc1cncc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000074831792 270041963 /nfs/dbraw/zinc/04/19/63/270041963.db2.gz SAUUIYBWZWLSJO-UHFFFAOYSA-N -1 1 290.388 3.116 20 0 CGADMM CC(C)n1nccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192173779 270077190 /nfs/dbraw/zinc/07/71/90/270077190.db2.gz XHDFKDYTBTXBOH-UHFFFAOYSA-N -1 1 294.742 3.467 20 0 CGADMM CC1(C)CCCC[C@H]1NC(=O)c1c([O-])cccc1F ZINC000228861474 270088232 /nfs/dbraw/zinc/08/82/32/270088232.db2.gz SYPHHJIOWKISTK-GFCCVEGCSA-N -1 1 265.328 3.230 20 0 CGADMM C[C@H](CNC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000230658964 270089185 /nfs/dbraw/zinc/08/91/85/270089185.db2.gz QWZJJGSBEOQULL-LLVKDONJSA-N -1 1 273.307 3.065 20 0 CGADMM CCC[C@@H](NC(=O)c1ccc([O-])cc1F)C1CCC1 ZINC000325205390 270095029 /nfs/dbraw/zinc/09/50/29/270095029.db2.gz IWMGDHQWFNWHQP-CQSZACIVSA-N -1 1 265.328 3.230 20 0 CGADMM O=C([O-])c1occc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000521055794 270100031 /nfs/dbraw/zinc/10/00/31/270100031.db2.gz CRFCWRHHDGTBQA-AWEZNQCLSA-N -1 1 289.306 3.454 20 0 CGADMM COCc1nc(=N[C@H]2CCCCC23CCCC3)s[n-]1 ZINC000359966435 266663371 /nfs/dbraw/zinc/66/33/71/266663371.db2.gz OLHKBSSKEFVNJK-NSHDSACASA-N -1 1 281.425 3.021 20 0 CGADMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000531485756 270207349 /nfs/dbraw/zinc/20/73/49/270207349.db2.gz PTVHXOYQSNNGCQ-DGCLKSJQSA-N -1 1 293.388 3.290 20 0 CGADMM CC1(C)SC[C@@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000393822924 288000835 /nfs/dbraw/zinc/00/08/35/288000835.db2.gz UZRLDXQMKPMKDA-AWEZNQCLSA-N -1 1 287.384 3.169 20 0 CGADMM C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1(F)F ZINC000436817870 278361990 /nfs/dbraw/zinc/36/19/90/278361990.db2.gz IZMUKPJIIDDGBE-QMMMGPOBSA-N -1 1 289.709 3.163 20 0 CGADMM Cc1nc(-c2ccc(N3[C@H](C)CC[C@H]3C)nc2)[n-]c(=O)c1C ZINC000301928414 279062438 /nfs/dbraw/zinc/06/24/38/279062438.db2.gz ZPOSWCPUDQCJPA-GHMZBOCLSA-N -1 1 298.390 3.238 20 0 CGADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1Cc1ccccc1 ZINC000181092434 280188826 /nfs/dbraw/zinc/18/88/26/280188826.db2.gz RBQSQGGGESVJBT-AWEZNQCLSA-N -1 1 299.345 3.379 20 0 CGADMM CC1(C)CCC[C@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000530004120 288280782 /nfs/dbraw/zinc/28/07/82/288280782.db2.gz BHHIIMMCNQUJRS-VIFPVBQESA-N -1 1 251.301 3.296 20 0 CGADMM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cccc(F)c2[O-])C1(C)C ZINC000530005402 288281357 /nfs/dbraw/zinc/28/13/57/288281357.db2.gz JUROPTCDMWHZGT-MNOVXSKESA-N -1 1 293.338 3.111 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccc2c(n1)CCCC2 ZINC000530005935 288281592 /nfs/dbraw/zinc/28/15/92/288281592.db2.gz ONURUKCCGQAVTK-UHFFFAOYSA-N -1 1 286.306 3.057 20 0 CGADMM Cc1cccc2nc(-c3ccc4nccnc4c3)[n-]c(=O)c12 ZINC000344669638 281316205 /nfs/dbraw/zinc/31/62/05/281316205.db2.gz QTKJHEFTPRNQDI-UHFFFAOYSA-N -1 1 288.310 3.254 20 0 CGADMM Cc1nc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)co1 ZINC000345213989 281814138 /nfs/dbraw/zinc/81/41/38/281814138.db2.gz VPOMFQSTIMJYEK-UHFFFAOYSA-N -1 1 295.220 3.318 20 0 CGADMM C[C@@H]1CSCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000070222672 288420723 /nfs/dbraw/zinc/42/07/23/288420723.db2.gz HPRZPMZKTNFBEJ-LLVKDONJSA-N -1 1 287.384 3.123 20 0 CGADMM Cc1cnc(C(=O)N(C(C)C)C2CC(C)(C)C2)c([O-])c1 ZINC000457073652 302330769 /nfs/dbraw/zinc/33/07/69/302330769.db2.gz MZNDNNXZBJDGIW-UHFFFAOYSA-N -1 1 276.380 3.135 20 0 CGADMM FC(F)(F)c1nc(=N[C@H]2CCC23CCCC3)s[n-]1 ZINC000343209579 303121386 /nfs/dbraw/zinc/12/13/86/303121386.db2.gz WGGJXCAPNLIDCZ-ZETCQYMHSA-N -1 1 277.315 3.114 20 0 CGADMM CCCn1ccc2cc(NC(=O)c3cncc([O-])c3)ccc21 ZINC000171868164 321933135 /nfs/dbraw/zinc/93/31/35/321933135.db2.gz BSGYMISZRQSYRF-UHFFFAOYSA-N -1 1 295.342 3.404 20 0 CGADMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)oc1C ZINC000565989814 322099639 /nfs/dbraw/zinc/09/96/39/322099639.db2.gz LIRDYCDNKRJVFM-UHFFFAOYSA-N -1 1 274.251 3.458 20 0 CGADMM [O-]c1ccc(-c2noc([C@]34C[C@H]3CCC4)n2)cc1F ZINC000566076353 322103012 /nfs/dbraw/zinc/10/30/12/322103012.db2.gz KLOHYNFESCCMRT-YMTOWFKASA-N -1 1 260.268 3.023 20 0 CGADMM C[C@H](c1ccc(F)cc1)N(C)Cc1ccoc1C(=O)[O-] ZINC000566357987 322117757 /nfs/dbraw/zinc/11/77/57/322117757.db2.gz PXCINEOSSHLGKE-SNVBAGLBSA-N -1 1 277.295 3.310 20 0 CGADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H]1c1ccco1 ZINC000566360335 322118182 /nfs/dbraw/zinc/11/81/82/322118182.db2.gz VVDWWMQXJXBLLH-WDEREUQCSA-N -1 1 275.304 3.469 20 0 CGADMM Cc1ccnc([N-]S(=O)(=O)CCC2CCCCC2)c1 ZINC000567014718 322146811 /nfs/dbraw/zinc/14/68/11/322146811.db2.gz MUSCJKMGQNMBBK-UHFFFAOYSA-N -1 1 282.409 3.102 20 0 CGADMM Cc1nc(CNCc2cccc(C3CC3)c2)ccc1C(=O)[O-] ZINC000567259446 322156410 /nfs/dbraw/zinc/15/64/10/322156410.db2.gz RMWXSKIPGPTITL-UHFFFAOYSA-N -1 1 296.370 3.255 20 0 CGADMM CCCCN(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000567397148 322161947 /nfs/dbraw/zinc/16/19/47/322161947.db2.gz NZKKVRAZKOTLCU-UHFFFAOYSA-N -1 1 288.347 3.272 20 0 CGADMM CCN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C(C)C ZINC000568059977 322190577 /nfs/dbraw/zinc/19/05/77/322190577.db2.gz NLXRDEAGIDMLTB-UHFFFAOYSA-N -1 1 288.347 3.270 20 0 CGADMM C[C@@H](c1ccc(F)cc1)N(C)Cc1occc1C(=O)[O-] ZINC000571291528 322294988 /nfs/dbraw/zinc/29/49/88/322294988.db2.gz OJRKQSUBSJEYCM-JTQLQIEISA-N -1 1 277.295 3.310 20 0 CGADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(C2CCCC2)n1 ZINC000580456722 330141138 /nfs/dbraw/zinc/14/11/38/330141138.db2.gz OECMNLZDDXHJTN-GWCFXTLKSA-N -1 1 294.420 3.096 20 0 CGADMM O=S(=O)([N-]CCCC1CC1)c1cc2cc(F)ccc2o1 ZINC000576106308 335155151 /nfs/dbraw/zinc/15/51/51/335155151.db2.gz AFNVDZNNCHLYCN-UHFFFAOYSA-N -1 1 297.351 3.040 20 0 CGADMM O=C(Nc1cccc(C2CCC2)c1)c1cncc([O-])c1 ZINC000576323961 335189359 /nfs/dbraw/zinc/18/93/59/335189359.db2.gz JVCOMQVZQLOKLI-UHFFFAOYSA-N -1 1 268.316 3.307 20 0 CGADMM C[C@H]1CCC[C@@H](c2nc3cc(F)c([O-])cc3c(=O)[nH]2)C1 ZINC000576728547 335240825 /nfs/dbraw/zinc/24/08/25/335240825.db2.gz LQUAUCHFVGUQAC-DTWKUNHWSA-N -1 1 276.311 3.062 20 0 CGADMM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000577689375 335388926 /nfs/dbraw/zinc/38/89/26/335388926.db2.gz PZEBEMARFYXUEX-WCQYABFASA-N -1 1 293.388 3.147 20 0 CGADMM Cc1oc(CN(C)Cc2cc(F)ccc2C)cc1C(=O)[O-] ZINC000581076984 336005185 /nfs/dbraw/zinc/00/51/85/336005185.db2.gz IEYKYMSQBAFFRD-UHFFFAOYSA-N -1 1 291.322 3.366 20 0 CGADMM Cc1ccsc1CN(C)C(=O)c1ccc([O-])cc1F ZINC000383620373 336115539 /nfs/dbraw/zinc/11/55/39/336115539.db2.gz HPBDMOVOGZCYIS-UHFFFAOYSA-N -1 1 279.336 3.173 20 0 CGADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccs2)c(C)c1 ZINC000426818873 534078181 /nfs/dbraw/zinc/07/81/81/534078181.db2.gz SZBMPRWHPUUZNN-CQSZACIVSA-N -1 1 275.373 3.280 20 0 CGADMM CSc1ccc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])s1 ZINC000424420810 534204293 /nfs/dbraw/zinc/20/42/93/534204293.db2.gz QYKGTUBABNULRA-SKDRFNHKSA-N -1 1 285.434 3.155 20 0 CGADMM COC(=O)c1ccc([O-])c(NC(=O)CCC2CCCC2)c1 ZINC000436514925 534230945 /nfs/dbraw/zinc/23/09/45/534230945.db2.gz QYVDQZSKVIDKDK-UHFFFAOYSA-N -1 1 291.347 3.088 20 0 CGADMM [O-]c1ccc(-c2nc(-c3n[nH]c4ccccc43)no2)c(F)c1 ZINC000436686147 534449571 /nfs/dbraw/zinc/44/95/71/534449571.db2.gz CZNDVLDLYVFBJQ-UHFFFAOYSA-N -1 1 296.261 3.125 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N1CCCC[C@H]1C(F)F ZINC000436512321 534660179 /nfs/dbraw/zinc/66/01/79/534660179.db2.gz KFFPXGZFBFIWAH-JTQLQIEISA-N -1 1 289.709 3.305 20 0 CGADMM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000094163032 523113780 /nfs/dbraw/zinc/11/37/80/523113780.db2.gz IDNUMSYLENVTFL-AWEZNQCLSA-N -1 1 288.322 3.150 20 0 CGADMM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCc2ccccc2C1 ZINC000094149846 523921789 /nfs/dbraw/zinc/92/17/89/523921789.db2.gz FFHQWXMDJCOYBF-HNNXBMFYSA-N -1 1 299.345 3.161 20 0 CGADMM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2cncc([O-])c2)c1 ZINC000111561024 524202062 /nfs/dbraw/zinc/20/20/62/524202062.db2.gz MYIFRQUNYBXFEZ-CYBMUJFWSA-N -1 1 284.359 3.237 20 0 CGADMM CC(C)(CC(F)F)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000411570902 526974806 /nfs/dbraw/zinc/97/48/06/526974806.db2.gz PDYOTIQEPWBNSH-UHFFFAOYSA-N -1 1 299.346 3.180 20 0 CGADMM CCC[C@H](C)C[C@@H](NCc1ccc(CC)o1)C(=O)[O-] ZINC000426815864 528039513 /nfs/dbraw/zinc/03/95/13/528039513.db2.gz MOTAXFSCTCHJGS-SMDDNHRTSA-N -1 1 267.369 3.211 20 0 CGADMM CCOc1cc(C(=O)N(C)[C@H](C)CC)cc(Cl)c1[O-] ZINC000358133890 528208585 /nfs/dbraw/zinc/20/85/85/528208585.db2.gz RKVRDKNFPXNNSW-SECBINFHSA-N -1 1 285.771 3.315 20 0 CGADMM CCOc1cc(C(=O)N2CCC[C@@H]2CC)cc(Cl)c1[O-] ZINC000358137608 528213462 /nfs/dbraw/zinc/21/34/62/528213462.db2.gz ZDJUTTQSPRWEDI-NSHDSACASA-N -1 1 297.782 3.459 20 0 CGADMM CC(C)c1nc(=NC[C@@H]2CCC[C@H](C(F)(F)F)C2)o[n-]1 ZINC000439609297 528257450 /nfs/dbraw/zinc/25/74/50/528257450.db2.gz ADFDYMCYFITHFB-ZJUUUORDSA-N -1 1 291.317 3.396 20 0 CGADMM CC(C)Cn1ncc(NC(=O)c2ccccc2[O-])c1C1CC1 ZINC000436725298 528753131 /nfs/dbraw/zinc/75/31/31/528753131.db2.gz XIGPAWGHTSPHQF-UHFFFAOYSA-N -1 1 299.374 3.374 20 0 CGADMM CCC(CC)N(CC(C)C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436701624 528767933 /nfs/dbraw/zinc/76/79/33/528767933.db2.gz DWXZLWIECFFILR-UHFFFAOYSA-N -1 1 291.391 3.248 20 0 CGADMM CC1(C)CC[C@@H](CNC(=O)c2ccc3ccccc3c2[O-])O1 ZINC000436779938 529023668 /nfs/dbraw/zinc/02/36/68/529023668.db2.gz BCQLPSXALYTFMD-ZDUSSCGKSA-N -1 1 299.370 3.233 20 0 CGADMM CCC1(CC)CN(C(=O)c2cc(F)ccc2[O-])CCS1 ZINC000436800425 529074171 /nfs/dbraw/zinc/07/41/71/529074171.db2.gz KLSPDADMZNKNEK-UHFFFAOYSA-N -1 1 297.395 3.279 20 0 CGADMM CN(Cc1ccc(F)cc1F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737477477 572347241 /nfs/dbraw/zinc/34/72/41/572347241.db2.gz UDYQLGPMHJPLKO-OAHLLOKOSA-N -1 1 291.297 3.223 20 0 CGADMM Cc1cccc([C@@H](C)C(=O)[N-]OCc2ccccc2)c1 ZINC000739684085 572422226 /nfs/dbraw/zinc/42/22/26/572422226.db2.gz JGSYGTGAJZKFTH-CQSZACIVSA-N -1 1 269.344 3.347 20 0 CGADMM Cc1cccc2c1CCN(Cc1ccc(F)cc1C(=O)[O-])C2 ZINC000738748200 572475948 /nfs/dbraw/zinc/47/59/48/572475948.db2.gz PVBGMODLQSQONQ-UHFFFAOYSA-N -1 1 299.345 3.391 20 0 CGADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)C[C@H](C)S1 ZINC000743727937 572681425 /nfs/dbraw/zinc/68/14/25/572681425.db2.gz GURNCNMYDFGJNR-IUCAKERBSA-N -1 1 285.796 3.012 20 0 CGADMM CC(C)c1ccc2c(c1)CCCN2C(=O)C1=C([O-])C(C)N=N1 ZINC000749422217 573002892 /nfs/dbraw/zinc/00/28/92/573002892.db2.gz RGOHBYWYWNSUDQ-UHFFFAOYSA-N -1 1 299.374 3.140 20 0 CGADMM Cc1ccc2nc(SCc3cc(C(=O)[O-])co3)[nH]c2c1 ZINC000061439643 599802855 /nfs/dbraw/zinc/80/28/55/599802855.db2.gz XAMWIMIUPYDBLW-UHFFFAOYSA-N -1 1 288.328 3.455 20 0 CGADMM Cc1[n-]n(-c2ccc(-c3ccccc3)nn2)c(=O)c1C(C)C ZINC000899349652 620653506 /nfs/dbraw/zinc/65/35/06/620653506.db2.gz JANSVGWGEAIJTG-MRXNPFEDSA-N -1 1 294.358 3.138 20 0 CGADMM CCc1c(C)[n-]n(-c2cc(Br)ccc2F)c1=O ZINC000899361753 620667974 /nfs/dbraw/zinc/66/79/74/620667974.db2.gz CKYDZCXUJCFQTC-SECBINFHSA-N -1 1 299.143 3.337 20 0 CGADMM Cc1cccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])o2)n1 ZINC000832967029 604367647 /nfs/dbraw/zinc/36/76/47/604367647.db2.gz ADWTVUJLMJVMMY-CQSZACIVSA-N -1 1 286.331 3.018 20 0 CGADMM O=C([O-])c1cccc(CN2CCc3c(F)cccc3C2)c1 ZINC000833783587 604648446 /nfs/dbraw/zinc/64/84/46/604648446.db2.gz UJLFYGRZQXYJDM-UHFFFAOYSA-N -1 1 285.318 3.082 20 0 CGADMM C[C@@H](c1cccnc1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000833550030 604913953 /nfs/dbraw/zinc/91/39/53/604913953.db2.gz QAQMGGHXGAJLAF-JTQLQIEISA-N -1 1 276.361 3.034 20 0 CGADMM C/C(=C\CN[C@@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC000833381740 605174319 /nfs/dbraw/zinc/17/43/19/605174319.db2.gz DVWQWYJAOBKEMM-ORZBULNSSA-N -1 1 271.719 3.161 20 0 CGADMM c1cc2cccc(NCc3ccc(-c4nnn[n-]4)o3)c2s1 ZINC000826517323 607754338 /nfs/dbraw/zinc/75/43/38/607754338.db2.gz YQCWFJCMQKWRQG-UHFFFAOYSA-N -1 1 297.343 3.287 20 0 CGADMM c1cc2cccc(NCc3ccc(-c4nn[n-]n4)o3)c2s1 ZINC000826517323 607754339 /nfs/dbraw/zinc/75/43/39/607754339.db2.gz YQCWFJCMQKWRQG-UHFFFAOYSA-N -1 1 297.343 3.287 20 0 CGADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1cc(C(=O)[O-])co1 ZINC000833607363 605701393 /nfs/dbraw/zinc/70/13/93/605701393.db2.gz ZXUFMCFSXYTUIO-WCBMZHEXSA-N -1 1 291.269 3.141 20 0 CGADMM CCC(CC)Sc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820898144 606461791 /nfs/dbraw/zinc/46/17/91/606461791.db2.gz VGTDISZTZRGMST-UHFFFAOYSA-N -1 1 283.788 3.196 20 0 CGADMM CCC(CC)Sc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820898144 606461792 /nfs/dbraw/zinc/46/17/92/606461792.db2.gz VGTDISZTZRGMST-UHFFFAOYSA-N -1 1 283.788 3.196 20 0 CGADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000822254403 607129267 /nfs/dbraw/zinc/12/92/67/607129267.db2.gz IXHFUHIJJGCJFW-UHFFFAOYSA-N -1 1 285.376 3.157 20 0 CGADMM CCCc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000899967684 620741012 /nfs/dbraw/zinc/74/10/12/620741012.db2.gz SOVXYIZUSWWHGA-UHFFFAOYSA-N -1 1 297.358 3.264 20 0 CGADMM Cc1sc([C@@H](C)NCc2cccs2)nc1C(=O)[O-] ZINC000900075097 620756091 /nfs/dbraw/zinc/75/60/91/620756091.db2.gz KHWUZCCNQRUDSC-SSDOTTSWSA-N -1 1 282.390 3.062 20 0 CGADMM Cc1cc(C(=O)N=[S@@](C)(=O)C2CCCCC2)ccc1[O-] ZINC000926017733 617846232 /nfs/dbraw/zinc/84/62/32/617846232.db2.gz IPCLDNMRLQURGK-FQEVSTJZSA-N -1 1 295.404 3.271 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccsc1 ZINC000235191450 618737708 /nfs/dbraw/zinc/73/77/08/618737708.db2.gz YNNLBCPMNNPYIH-MRVPVSSYSA-N -1 1 265.334 3.199 20 0 CGADMM CCc1cc(=O)[n-]c(SCCC2SCCS2)n1 ZINC000853019531 618969605 /nfs/dbraw/zinc/96/96/05/618969605.db2.gz CCSDKSKTZCEKOV-UHFFFAOYSA-N -1 1 288.463 3.033 20 0 CGADMM CCn1c(C)cc(C(=O)Nc2nc(Cl)ccc2[O-])c1C ZINC000191976653 619114707 /nfs/dbraw/zinc/11/47/07/619114707.db2.gz GHPRXCPLVDDERN-UHFFFAOYSA-N -1 1 293.754 3.131 20 0 CGADMM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000896520519 620021232 /nfs/dbraw/zinc/02/12/32/620021232.db2.gz FHMJRNDRIOTFIA-WDEREUQCSA-N -1 1 285.343 3.122 20 0 CGADMM c1nn(C2CCC2)cc1[N-]c1nc(C2CC2)ns1 ZINC000897103272 620144805 /nfs/dbraw/zinc/14/48/05/620144805.db2.gz SGIYFYVUCXFNCW-UHFFFAOYSA-N -1 1 261.354 3.081 20 0 CGADMM Cc1noc(C(C)C)c1[N-]C(=O)c1onc2c1CCCC2 ZINC000928785039 620219308 /nfs/dbraw/zinc/21/93/08/620219308.db2.gz UEENAUMKEFLKMT-UHFFFAOYSA-N -1 1 289.335 3.226 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC000067738960 620376741 /nfs/dbraw/zinc/37/67/41/620376741.db2.gz DMJZYXHSTQBRCO-UHFFFAOYSA-N -1 1 265.671 3.437 20 0 CGADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC12CCCC2 ZINC000898268264 620501792 /nfs/dbraw/zinc/50/17/92/620501792.db2.gz AYBRKFMSKAARSL-UHFFFAOYSA-N -1 1 297.354 3.410 20 0 CGADMM CCCC[C@@H](CCC)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900956260 620823166 /nfs/dbraw/zinc/82/31/66/620823166.db2.gz UWUBFSKERYHJDT-GFCCVEGCSA-N -1 1 291.395 3.148 20 0 CGADMM CCN(CC(=O)[O-])Cc1cc(-c2ccccc2)cs1 ZINC000901426625 620884008 /nfs/dbraw/zinc/88/40/08/620884008.db2.gz OAOWUDLPMQDMNA-UHFFFAOYSA-N -1 1 275.373 3.322 20 0 CGADMM O=C([O-])C1CCN(Cc2ccc(C(F)(F)F)s2)CC1 ZINC000901480492 620892307 /nfs/dbraw/zinc/89/23/07/620892307.db2.gz JUVNUXFTQTWDSK-UHFFFAOYSA-N -1 1 293.310 3.064 20 0 CGADMM CSc1ccc(CN2CCC(CCC(=O)[O-])CC2)o1 ZINC000901495333 620900555 /nfs/dbraw/zinc/90/05/55/620900555.db2.gz CIYDRWHXLAIDQB-UHFFFAOYSA-N -1 1 283.393 3.078 20 0 CGADMM O=C([O-])[C@@H]1CCC[C@@H]1N[C@H](CCc1ccccc1)C(F)F ZINC000901486040 620910677 /nfs/dbraw/zinc/91/06/77/620910677.db2.gz UUKCIJNRMVFQMT-HZSPNIEDSA-N -1 1 297.345 3.096 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CNCc2ccc(CC(=O)[O-])cc2)o1 ZINC000901541893 620920314 /nfs/dbraw/zinc/92/03/14/620920314.db2.gz ZEGLTBNRARPGLT-BLLLJJGKSA-N -1 1 299.370 3.320 20 0 CGADMM O=c1cc(-c2ccccc2)nc(S[C@@H]2CCSC2)[n-]1 ZINC000901616604 620954379 /nfs/dbraw/zinc/95/43/79/620954379.db2.gz PYGVVBILWBJLKV-LLVKDONJSA-N -1 1 290.413 3.447 20 0 CGADMM CCc1oc(CNCc2ccc(C)cc2)cc1C(=O)[O-] ZINC000902060048 621132403 /nfs/dbraw/zinc/13/24/03/621132403.db2.gz JIKSXXVISTYBDG-UHFFFAOYSA-N -1 1 273.332 3.138 20 0 CGADMM O=C([O-])c1coc(CN[C@@H]2CCc3c2cccc3Cl)c1 ZINC000902177331 621176297 /nfs/dbraw/zinc/17/62/97/621176297.db2.gz YSXQZXCEXGAMRD-CQSZACIVSA-N -1 1 291.734 3.408 20 0 CGADMM O=C([O-])c1cc(CN[C@H](c2ccccc2)C2CCC2)on1 ZINC000902226731 621200992 /nfs/dbraw/zinc/20/09/92/621200992.db2.gz ZHYUWYIBMUJWBW-OAHLLOKOSA-N -1 1 286.331 3.004 20 0 CGADMM CC[C@](C)(NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000902233803 621204520 /nfs/dbraw/zinc/20/45/20/621204520.db2.gz CKFLWBWQWYOPSG-INIZCTEOSA-N -1 1 273.332 3.393 20 0 CGADMM Cc1ccccc1C1(NCc2ccc(C(=O)[O-])o2)CC1 ZINC000902272912 621237381 /nfs/dbraw/zinc/23/73/81/621237381.db2.gz YDXUYHKBPFSMPH-UHFFFAOYSA-N -1 1 271.316 3.065 20 0 CGADMM CC[C@@H](NCc1ccoc1C(=O)[O-])c1ccccc1OC ZINC000902355091 621286793 /nfs/dbraw/zinc/28/67/93/621286793.db2.gz KKRAMTKAVFSPKW-CYBMUJFWSA-N -1 1 289.331 3.227 20 0 CGADMM CC(C)CCC[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC000903920138 621833016 /nfs/dbraw/zinc/83/30/16/621833016.db2.gz CDNYHCHFTXCUDF-UHFFFAOYSA-N -1 1 277.364 3.015 20 0 CGADMM CCc1cccc2cc(CN[C@@H](C(=O)[O-])C3CCC3)oc21 ZINC000904047964 621862587 /nfs/dbraw/zinc/86/25/87/621862587.db2.gz LCJRYHXWFBLJMQ-OAHLLOKOSA-N -1 1 287.359 3.338 20 0 CGADMM CCc1ccc(C(C)(C)NCc2ccc(C(=O)[O-])cn2)cc1 ZINC000905726577 622100862 /nfs/dbraw/zinc/10/08/62/622100862.db2.gz VZYXIPAWFFHPAX-UHFFFAOYSA-N -1 1 298.386 3.367 20 0 CGADMM Cc1cccc(C2(NCc3ccc(C(=O)[O-])cn3)CCC2)c1 ZINC000905729944 622101436 /nfs/dbraw/zinc/10/14/36/622101436.db2.gz XJMHWSHWWUMQLO-UHFFFAOYSA-N -1 1 296.370 3.257 20 0 CGADMM CC12C[C@H]3C[C@@H](C1)CC(C(=O)[N-]O[C@H]1CCCCO1)(C3)C2 ZINC000906479654 622240885 /nfs/dbraw/zinc/24/08/85/622240885.db2.gz PNAPKOZSISXJNE-HHUWHTLVSA-N -1 1 293.407 3.167 20 0 CGADMM CCC1=C(C(=O)Nc2cc([O-])c(F)cc2F)CCCO1 ZINC000909986349 622442547 /nfs/dbraw/zinc/44/25/47/622442547.db2.gz HMYVAIGYTFTLMK-UHFFFAOYSA-N -1 1 283.274 3.083 20 0 CGADMM CC(C)(C(=O)Nc1cc([O-])c(F)cc1F)C(C)(F)F ZINC000909987557 622443434 /nfs/dbraw/zinc/44/34/34/622443434.db2.gz YLRPQLWXBBVUEL-UHFFFAOYSA-N -1 1 279.233 3.290 20 0 CGADMM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910981166 622512535 /nfs/dbraw/zinc/51/25/35/622512535.db2.gz CVWOXJMCWIRTSF-CYBMUJFWSA-N -1 1 299.317 3.347 20 0 CGADMM Cc1nc(SCOC(=O)CC(C)C)[n-]c(=O)c1C1CC1 ZINC000918464083 624348268 /nfs/dbraw/zinc/34/82/68/624348268.db2.gz XMAKETVFMKXLJG-UHFFFAOYSA-N -1 1 296.392 3.007 20 0 CGADMM Cc1ocnc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000920247515 624461789 /nfs/dbraw/zinc/46/17/89/624461789.db2.gz UVWVTVBULGICJW-UHFFFAOYSA-N -1 1 292.364 3.135 20 0 CGADMM O=C(NOCc1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000186448954 625850688 /nfs/dbraw/zinc/85/06/88/625850688.db2.gz NNEKNJIVAHWTMS-UHFFFAOYSA-N -1 1 295.697 3.046 20 0 CGADMM Cc1nc(CN2CCC(C(=O)[O-])CC2)sc1C(C)(C)C ZINC000923222398 626137489 /nfs/dbraw/zinc/13/74/89/626137489.db2.gz JVYHJYRNZJVWMO-UHFFFAOYSA-N -1 1 296.436 3.046 20 0 CGADMM C[C@H](CC(=O)[N-]OCC(F)(F)F)c1ccc(F)cc1F ZINC000752126688 626419777 /nfs/dbraw/zinc/41/97/77/626419777.db2.gz FMDMIJDBKPYYHC-SSDOTTSWSA-N -1 1 297.223 3.069 20 0 CGADMM O=C(NOCc1ccc(F)cc1)c1c([O-])cccc1Cl ZINC000757603072 626792561 /nfs/dbraw/zinc/79/25/61/626792561.db2.gz GDPBVGRJCTXPQO-UHFFFAOYSA-N -1 1 295.697 3.046 20 0 CGADMM Cc1noc(C)c1[N-]C(=O)c1noc2c1CC(C)(C)CC2 ZINC000874243192 634526479 /nfs/dbraw/zinc/52/64/79/634526479.db2.gz UDTJUVAGMOCKHE-UHFFFAOYSA-N -1 1 289.335 3.047 20 0 CGADMM CC(C)[C@H](CC(=O)[N-]OCC(F)F)c1ccccc1 ZINC000759339578 626888963 /nfs/dbraw/zinc/88/89/63/626888963.db2.gz NFPZPXFILQEXDE-LBPRGKRZSA-N -1 1 271.307 3.129 20 0 CGADMM CCCC1(CNC(=O)c2c([O-])cccc2Cl)CC1 ZINC000760150542 626940339 /nfs/dbraw/zinc/94/03/39/626940339.db2.gz UNLKADSTOSLGRG-UHFFFAOYSA-N -1 1 267.756 3.356 20 0 CGADMM C[C@@H](C(=O)[N-]OCC(F)(F)F)c1cccc(Cl)c1 ZINC000766764265 627358928 /nfs/dbraw/zinc/35/89/28/627358928.db2.gz XBTHTGZFJKMZKG-SSDOTTSWSA-N -1 1 281.661 3.054 20 0 CGADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1N(C)C ZINC000767302782 627397623 /nfs/dbraw/zinc/39/76/23/627397623.db2.gz WILKDSVTZDQIQE-UHFFFAOYSA-N -1 1 288.322 3.158 20 0 CGADMM CC(C)[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccccn1 ZINC000768163873 627465107 /nfs/dbraw/zinc/46/51/07/627465107.db2.gz DAXPUMNFZICUKI-OAHLLOKOSA-N -1 1 288.322 3.053 20 0 CGADMM CSCC[C@H](C)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769879442 627586831 /nfs/dbraw/zinc/58/68/31/627586831.db2.gz LWWNXSNHEBYJHW-VIFPVBQESA-N -1 1 287.812 3.259 20 0 CGADMM CCC(C)(C)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769878823 627587018 /nfs/dbraw/zinc/58/70/18/627587018.db2.gz ZRLCKZOOLNXEJO-UHFFFAOYSA-N -1 1 255.745 3.306 20 0 CGADMM C[C@@H]1CC[C@H](C)N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000769931983 627590524 /nfs/dbraw/zinc/59/05/24/627590524.db2.gz IDQFZALDDJOZNV-ZJUUUORDSA-N -1 1 267.756 3.306 20 0 CGADMM O=C(OCc1nc2ccccc2o1)c1ccc([O-])cc1F ZINC000773575358 627898086 /nfs/dbraw/zinc/89/80/86/627898086.db2.gz IGJRMXPIODSKRG-UHFFFAOYSA-N -1 1 287.246 3.030 20 0 CGADMM CCc1ccc([C@@H](C)C(=O)[N-]OC2CCCC2)cc1 ZINC000774865680 628043347 /nfs/dbraw/zinc/04/33/47/628043347.db2.gz HYSNUFFCYRTJRI-GFCCVEGCSA-N -1 1 261.365 3.343 20 0 CGADMM C[C@@H]1CCC[C@H](C(=O)Nc2nc(Cl)ccc2[O-])C1 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CC[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(F)F ZINC000833204935 634112769 /nfs/dbraw/zinc/11/27/69/634112769.db2.gz YARNQFRGWWLMPZ-VIFPVBQESA-N -1 1 281.224 3.077 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)C1CC2(CCC2)C1 ZINC000834822389 634248648 /nfs/dbraw/zinc/24/86/48/634248648.db2.gz MUCYCQLGOWJSPB-UHFFFAOYSA-N -1 1 279.767 3.242 20 0 CGADMM CCC[C@@H](C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834829193 634250167 /nfs/dbraw/zinc/25/01/67/634250167.db2.gz NVGPVAIHAMAZRQ-SECBINFHSA-N -1 1 255.745 3.098 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)C1CCC=CCC1 ZINC000834834025 634252921 /nfs/dbraw/zinc/25/29/21/634252921.db2.gz UFDGZWCETMIWKD-UHFFFAOYSA-N -1 1 279.767 3.408 20 0 CGADMM Cc1oc(C)c(C(=O)NCc2ccc([O-])c(Cl)c2)c1C ZINC000834833537 634252966 /nfs/dbraw/zinc/25/29/66/634252966.db2.gz BWDVPIPFFTVVOT-UHFFFAOYSA-N -1 1 293.750 3.494 20 0 CGADMM CC(C)(C)CC(=O)[N-]OCc1nc(C(C)(C)C)cs1 ZINC000842063193 635272703 /nfs/dbraw/zinc/27/27/03/635272703.db2.gz JRYNDYVYBBTYCM-UHFFFAOYSA-N -1 1 284.425 3.425 20 0 CGADMM O=C(CCc1ccc(F)c2ccccc12)[N-]OCC(F)F ZINC000867408458 636172874 /nfs/dbraw/zinc/17/28/74/636172874.db2.gz FATCWKKZQWDCCC-UHFFFAOYSA-N -1 1 297.276 3.224 20 0 CGADMM Cc1nc(S[C@H](C)c2ccc(F)nc2)[n-]c(=O)c1C ZINC000882152086 636271064 /nfs/dbraw/zinc/27/10/64/636271064.db2.gz JZOMNYLWRMPFHW-SECBINFHSA-N -1 1 279.340 3.186 20 0 CGADMM Cc1cnc(SC[C@@H]2CC(C)(C)OC2(C)C)[n-]c1=O ZINC000882174636 636277286 /nfs/dbraw/zinc/27/72/86/636277286.db2.gz UMCVBPJHQNLRMH-JTQLQIEISA-N -1 1 282.409 3.176 20 0 CGADMM O=C(Nc1ccc(O)c(Cl)c1)c1cccc2cn[nH]c21 ZINC000129533600 636296327 /nfs/dbraw/zinc/29/63/27/636296327.db2.gz ZORJETKSLZAPHC-UHFFFAOYSA-N -1 1 287.706 3.174 20 0 CGADMM CC[C@H](C)CO[N-]C(=O)[C@@H]1CCCc2ccc(OC)cc21 ZINC000848121155 636532641 /nfs/dbraw/zinc/53/26/41/636532641.db2.gz VGQFKBVNKPWJHQ-SWLSCSKDSA-N -1 1 291.391 3.209 20 0 CGADMM CC[C@@H](C)CON=c1cc(Cl)[n-]c([C@@H]2CCCO2)n1 ZINC000884513763 637053241 /nfs/dbraw/zinc/05/32/41/637053241.db2.gz QWTFMEFARJDJID-ZJUUUORDSA-N -1 1 285.775 3.371 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CGADMM Cc1sc(C)c2c1[n-]c(CCCCF)nc2=O ZINC000887319479 637796301 /nfs/dbraw/zinc/79/63/01/637796301.db2.gz WVEAXUJYCZWRGA-UHFFFAOYSA-N -1 1 254.330 3.306 20 0 CGADMM CS[C@H](C)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675900 638037509 /nfs/dbraw/zinc/03/75/09/638037509.db2.gz DXFHMHFEEBJHQG-ZCFIWIBFSA-N -1 1 277.748 3.265 20 0 CGADMM CC(C)[C@H]1C[C@H]1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678971 638049616 /nfs/dbraw/zinc/04/96/16/638049616.db2.gz ZTDNTTCQOAIPBM-HTQZYQBOSA-N -1 1 271.719 3.415 20 0 CGADMM C[C@@H](C(=O)[N-]OCC1CCC1)c1cn(C)c2ccccc12 ZINC000856350203 638349806 /nfs/dbraw/zinc/34/98/06/638349806.db2.gz FQHCIDVECGSMAW-GFCCVEGCSA-N -1 1 286.375 3.130 20 0 CGADMM O=c1nc(NC2CCCCCCC2)cc(Cl)[n-]1 ZINC000858310765 638677693 /nfs/dbraw/zinc/67/76/93/638677693.db2.gz UYVWZYUEKYCDMB-UHFFFAOYSA-N -1 1 255.749 3.360 20 0 CGADMM C[C@@H]1CC[C@H](Nc2cc(Cl)[n-]c(=O)n2)C[C@H]1C ZINC000858482472 638736150 /nfs/dbraw/zinc/73/61/50/638736150.db2.gz ZBJCJBSQCZWKIU-HLTSFMKQSA-N -1 1 255.749 3.072 20 0 CGADMM CC(C)=CCC[C@@H](C)Nc1cc(Cl)[n-]c(=O)n1 ZINC000858560698 638761804 /nfs/dbraw/zinc/76/18/04/638761804.db2.gz SVYQMPKEFYEVPK-SECBINFHSA-N -1 1 255.749 3.382 20 0 CGADMM O=c1nc(NCC2(C3CCC3)CCC2)cc(Cl)[n-]1 ZINC000858566237 638762692 /nfs/dbraw/zinc/76/26/92/638762692.db2.gz ONKKUGXYBSQJFU-UHFFFAOYSA-N -1 1 267.760 3.218 20 0 CGADMM O=c1nc(N[C@@H]2CCC[C@H](C3CC3)C2)cc(Cl)[n-]1 ZINC000858583506 638997839 /nfs/dbraw/zinc/99/78/39/638997839.db2.gz CIUYWQFTJDADGT-VHSXEESVSA-N -1 1 267.760 3.216 20 0 CGADMM CC(C)[C@H]1C[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000935021363 639733062 /nfs/dbraw/zinc/73/30/62/639733062.db2.gz XKNPETVXTRYPOL-QMTHXVAHSA-N -1 1 297.782 3.435 20 0 CGADMM CC(C)Cc1ncc(C(=O)Nc2c([O-])cccc2F)s1 ZINC000935098444 639747350 /nfs/dbraw/zinc/74/73/50/639747350.db2.gz AYCRACYGNOKGCJ-UHFFFAOYSA-N -1 1 294.351 3.439 20 0 CGADMM O=C(C[C@H]1CCCC1(F)F)Nc1c([O-])cccc1F ZINC000935098453 639747552 /nfs/dbraw/zinc/74/75/52/639747552.db2.gz BGAFXMDNWSJBDF-MRVPVSSYSA-N -1 1 273.254 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COc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1C(=O)[O-] ZINC001251038979 805834646 /nfs/dbraw/zinc/83/46/46/805834646.db2.gz XKEKKSHCHUUEGW-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM Cc1ccc2nc(-c3ccccc3OCC(=O)[O-])[nH]c2c1C ZINC001251042231 805836627 /nfs/dbraw/zinc/83/66/27/805836627.db2.gz KUWXUQWOJONTIR-UHFFFAOYSA-N -1 1 296.326 3.310 20 0 CGADMM C[C@]12CN(C(=O)c3ccc(F)c([O-])c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001157580067 805838505 /nfs/dbraw/zinc/83/85/05/805838505.db2.gz CAGYHRDBACOQJF-YRZLHWLASA-N -1 1 289.350 3.040 20 0 CGADMM Cc1ccnc2cc([N-]S(=O)(=O)c3ccccc3)ccc12 ZINC001251149071 805854398 /nfs/dbraw/zinc/85/43/98/805854398.db2.gz LTJOJGKMONGVMM-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM CC(C)c1ncsc1NC(=O)c1ccc([O-])cc1F ZINC001158237542 805929934 /nfs/dbraw/zinc/92/99/34/805929934.db2.gz CEFKTNGKSNKBNQ-UHFFFAOYSA-N -1 1 280.324 3.364 20 0 CGADMM CCOc1ccc(Nc2cc(F)c([O-])c(Cl)c2)c(N)n1 ZINC001159415692 806098034 /nfs/dbraw/zinc/09/80/34/806098034.db2.gz VSAWMXQRAGUWMC-UHFFFAOYSA-N -1 1 297.717 3.304 20 0 CGADMM Cc1cccc(-c2nnc(-c3ccc(O)cc3[O-])o2)c1 ZINC001253620920 806272967 /nfs/dbraw/zinc/27/29/67/806272967.db2.gz MOJVETUTBROWOI-UHFFFAOYSA-N -1 1 268.272 3.123 20 0 CGADMM CCCCS(=O)(=O)[N-]c1cc(Cl)ccc1C(C)=O ZINC001253864061 806316788 /nfs/dbraw/zinc/31/67/88/806316788.db2.gz KQDKHQXEUIGPSP-UHFFFAOYSA-N -1 1 289.784 3.084 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cccc2scnc21 ZINC001161035243 806340601 /nfs/dbraw/zinc/34/06/01/806340601.db2.gz LBSITYDYCGEWNQ-UHFFFAOYSA-N -1 1 288.303 3.393 20 0 CGADMM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001161141978 806353084 /nfs/dbraw/zinc/35/30/84/806353084.db2.gz JYFCURUZHFONGO-YJBOKZPZSA-N -1 1 299.370 3.415 20 0 CGADMM CC(C)c1ccc2occ(C(=O)Nc3c[n-][nH]c3=O)c2c1 ZINC001161391810 806373303 /nfs/dbraw/zinc/37/33/03/806373303.db2.gz PRAAQONJYTUINT-UHFFFAOYSA-N -1 1 285.303 3.237 20 0 CGADMM CC(=O)c1cc(-c2nnc(-c3ccc(C(C)C)cc3)o2)n[n-]1 ZINC001254823954 806491848 /nfs/dbraw/zinc/49/18/48/806491848.db2.gz KCYFSVBIDDRQBK-UHFFFAOYSA-N -1 1 296.330 3.453 20 0 CGADMM CC[C@@](NCc1cccs1)(C(=O)[O-])c1ccccc1 ZINC000037966475 798880479 /nfs/dbraw/zinc/88/04/79/798880479.db2.gz IZLWKNMVTILFPD-HNNXBMFYSA-N -1 1 275.373 3.228 20 0 CGADMM [O-]c1c(F)cc(CN2Cc3ccccc3C2)cc1F ZINC000133778694 799035503 /nfs/dbraw/zinc/03/55/03/799035503.db2.gz KZNVMUOOJMSKPH-UHFFFAOYSA-N -1 1 261.271 3.186 20 0 CGADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])C1CCCC1 ZINC000382889563 799398701 /nfs/dbraw/zinc/39/87/01/799398701.db2.gz XWCUARFWLQUNQI-CYBMUJFWSA-N -1 1 265.328 3.230 20 0 CGADMM CC[C@@H](C)N(Cc1cc(C(=O)[O-])no1)Cc1ccccc1 ZINC000387270198 799444608 /nfs/dbraw/zinc/44/46/08/799444608.db2.gz SVZVAJTUQPCMHL-GFCCVEGCSA-N -1 1 288.347 3.174 20 0 CGADMM C[C@@]1(NC(=O)c2ccc(Cl)cc2[O-])CC=CCC1 ZINC000398313466 799529446 /nfs/dbraw/zinc/52/94/46/799529446.db2.gz CYRMPCGFOJUCFJ-CQSZACIVSA-N -1 1 265.740 3.274 20 0 CGADMM C[C@H](CN(C)C(=O)c1ccc([O-])cc1F)C(C)(C)C ZINC000399630925 799539731 /nfs/dbraw/zinc/53/97/31/799539731.db2.gz WTYLJUAZYQLPTM-SNVBAGLBSA-N -1 1 267.344 3.286 20 0 CGADMM O=C([O-])c1ccc(F)c(CN2CCCC(F)(F)CC2)c1 ZINC000702794979 799915456 /nfs/dbraw/zinc/91/54/56/799915456.db2.gz JTKHXUJYJCSVIC-UHFFFAOYSA-N -1 1 287.281 3.145 20 0 CGADMM C[C@]1(C(F)(F)F)CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000709010213 800001122 /nfs/dbraw/zinc/00/11/22/800001122.db2.gz OOUWEWYYCOVRAM-NSHDSACASA-N -1 1 293.310 3.221 20 0 CGADMM C[C@H]1c2sccc2CCN1C(=O)c1cc(F)ccc1[O-] ZINC000712284801 800082581 /nfs/dbraw/zinc/08/25/81/800082581.db2.gz NZLUFXULGFMZIQ-VIFPVBQESA-N -1 1 291.347 3.352 20 0 CGADMM CC1(CNC(=O)c2ccc(Cl)cc2[O-])CC(F)(F)C1 ZINC000720997525 800275245 /nfs/dbraw/zinc/27/52/45/800275245.db2.gz GJWDWUZZWNFRIK-UHFFFAOYSA-N -1 1 289.709 3.211 20 0 CGADMM Cc1cc(Cl)cc(C)c1NCC[N-]C(=O)C(F)(F)F ZINC001164243904 806922708 /nfs/dbraw/zinc/92/27/08/806922708.db2.gz KYYAOYYDPJHFTB-UHFFFAOYSA-N -1 1 294.704 3.047 20 0 CGADMM O=C(Nc1ccc(Br)c([O-])c1)[C@@H]1C[C@@H]1C1CC1 ZINC001116899496 802426276 /nfs/dbraw/zinc/42/62/76/802426276.db2.gz HZKFQSVDRMZUTG-NXEZZACHSA-N -1 1 296.164 3.139 20 0 CGADMM Cc1ccc(Nc2c([O-])cc(F)cc2F)cc1O ZINC001211697993 814933994 /nfs/dbraw/zinc/93/39/94/814933994.db2.gz PPLCNUGAYMZAFW-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM Cn1cnc(-c2ccc(-c3cc(F)c([O-])c(F)c3)cc2)n1 ZINC001244095310 803183102 /nfs/dbraw/zinc/18/31/02/803183102.db2.gz AESAIJXJJFUXDV-UHFFFAOYSA-N -1 1 287.269 3.133 20 0 CGADMM CC(C)Cn1cc(-c2cc(F)c([O-])c(F)c2)ccc1=O ZINC001244095305 803183113 /nfs/dbraw/zinc/18/31/13/803183113.db2.gz GCBVSKFBLWADOA-UHFFFAOYSA-N -1 1 279.286 3.155 20 0 CGADMM Cc1cccc(C2([N-]C(=O)C(F)(F)C(F)F)CCC2)c1 ZINC001130112173 803267717 /nfs/dbraw/zinc/26/77/17/803267717.db2.gz WWNJWXIYRNSJEP-UHFFFAOYSA-N -1 1 289.272 3.391 20 0 CGADMM CCOc1nc(-c2cc(C)ccc2[O-])nc2c1CCCC2 ZINC001244403569 803352958 /nfs/dbraw/zinc/35/29/58/803352958.db2.gz UVGWPRAOLLWXJE-UHFFFAOYSA-N -1 1 284.359 3.435 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1nccn2ccnc12 ZINC001244462321 803380954 /nfs/dbraw/zinc/38/09/54/803380954.db2.gz FFMTXMVHHQCMIN-UHFFFAOYSA-N -1 1 295.220 3.001 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1ccc2c(n1)COC2 ZINC001244463543 803381996 /nfs/dbraw/zinc/38/19/96/803381996.db2.gz STRSTIWYPPQSNV-UHFFFAOYSA-N -1 1 297.232 3.383 20 0 CGADMM CCOc1nccc(-c2cc(C)c([O-])c(Cl)c2)n1 ZINC001244531990 803423196 /nfs/dbraw/zinc/42/31/96/803423196.db2.gz STIVKECYYCKAGW-UHFFFAOYSA-N -1 1 264.712 3.210 20 0 CGADMM COc1nc(-c2cc(C)c([O-])c(Cl)c2)nc(C)c1F ZINC001244531615 803423251 /nfs/dbraw/zinc/42/32/51/803423251.db2.gz NRLDEIAXZAEJCV-UHFFFAOYSA-N -1 1 282.702 3.267 20 0 CGADMM COc1cccnc1-c1c(Cl)ccc([O-])c1F ZINC001244538122 803425492 /nfs/dbraw/zinc/42/54/92/803425492.db2.gz JORGAVORZWLWIZ-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM COC(=O)c1cc(C)nc(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244538685 803426726 /nfs/dbraw/zinc/42/67/26/803426726.db2.gz QUCLXWLQEDOXDN-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COC(=O)c1cnc(-c2c(Cl)ccc([O-])c2F)c(F)c1 ZINC001244538897 803426834 /nfs/dbraw/zinc/42/68/34/803426834.db2.gz PJANWDCZAUTVNU-UHFFFAOYSA-N -1 1 299.660 3.172 20 0 CGADMM Cc1cnc2c(ccnc2-c2c(Cl)ccc([O-])c2F)n1 ZINC001244540897 803427892 /nfs/dbraw/zinc/42/78/92/803427892.db2.gz URYVZEJYVZTTNP-UHFFFAOYSA-N -1 1 289.697 3.498 20 0 CGADMM COC(=O)c1ccc(N)c(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244540050 803428294 /nfs/dbraw/zinc/42/82/94/803428294.db2.gz OFLKWSSZTVHXHP-UHFFFAOYSA-N -1 1 295.697 3.221 20 0 CGADMM NC(=O)c1ccc(F)c(-c2c(F)c([O-])ccc2Cl)c1 ZINC001244543143 803429727 /nfs/dbraw/zinc/42/97/27/803429727.db2.gz UMYFXXUYNHMWQF-UHFFFAOYSA-N -1 1 283.661 3.090 20 0 CGADMM CNC(=O)c1ccc(-c2c(Cl)ccc([O-])c2F)cc1F ZINC001244541302 803429937 /nfs/dbraw/zinc/42/99/37/803429937.db2.gz AYDDXRXTZAAVNV-UHFFFAOYSA-N -1 1 297.688 3.350 20 0 CGADMM Cc1c(N)ccnc1-c1cc(C(=O)[O-])c(Cl)cc1F ZINC001244610668 803464143 /nfs/dbraw/zinc/46/41/43/803464143.db2.gz VDTTYFUNAKRJQI-UHFFFAOYSA-N -1 1 280.686 3.130 20 0 CGADMM COC(=O)c1cc(C)cc(-c2cc(Cl)ccc2[O-])n1 ZINC001245049605 803622319 /nfs/dbraw/zinc/62/23/19/803622319.db2.gz ZKVINZLNVOIWRI-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM [O-]c1ccc(Cl)cc1-c1ccc(Cn2ccnc2)cn1 ZINC001245050357 803622348 /nfs/dbraw/zinc/62/23/48/803622348.db2.gz SPPSHWXBQOTTGE-UHFFFAOYSA-N -1 1 285.734 3.352 20 0 CGADMM C[C@@H]1CCC[C@H](NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001136204181 803636424 /nfs/dbraw/zinc/63/64/24/803636424.db2.gz GMKJHNGQFZLPIK-YPMHNXCESA-N -1 1 284.359 3.249 20 0 CGADMM O=C(Cc1ccc([O-])c(Cl)c1)N1Cc2ccccc2C1 ZINC001136633855 803648657 /nfs/dbraw/zinc/64/86/57/803648657.db2.gz DUMMAIYKTDPXOU-UHFFFAOYSA-N -1 1 287.746 3.131 20 0 CGADMM CC(C)(C)[C@@H](NC(=O)c1cccc([O-])c1F)C(F)(F)F ZINC001136907003 803659972 /nfs/dbraw/zinc/65/99/72/803659972.db2.gz BSFIUXXKMFVSEK-LLVKDONJSA-N -1 1 293.260 3.238 20 0 CGADMM COC(=O)c1nc2ccc(-c3cccc(C)c3OC)cc2[n-]1 ZINC001245361692 803713022 /nfs/dbraw/zinc/71/30/22/803713022.db2.gz GRMJIKSELNOFAL-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM COC(=O)c1nc2cc(-c3cccc(C)c3OC)ccc2[n-]1 ZINC001245361692 803713028 /nfs/dbraw/zinc/71/30/28/803713028.db2.gz GRMJIKSELNOFAL-UHFFFAOYSA-N -1 1 296.326 3.334 20 0 CGADMM Cc1cccc([C@H](C)NC(=O)c2ccc(F)c([O-])c2)c1 ZINC001137765165 803769498 /nfs/dbraw/zinc/76/94/98/803769498.db2.gz LJYIHYSZXKPSNW-NSHDSACASA-N -1 1 273.307 3.331 20 0 CGADMM CC(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001212113350 814978146 /nfs/dbraw/zinc/97/81/46/814978146.db2.gz FEGKIMSHADNADG-CHWSQXEVSA-N -1 1 293.388 3.146 20 0 CGADMM CC(=O)Nc1ccc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245832438 803986875 /nfs/dbraw/zinc/98/68/75/803986875.db2.gz XTYACPYIIHRWHJ-UHFFFAOYSA-N -1 1 280.686 3.205 20 0 CGADMM [O-]c1ccc(F)c(-c2cnc(N3CCCC3)cn2)c1Cl ZINC001245832871 803988252 /nfs/dbraw/zinc/98/82/52/803988252.db2.gz UYPASAJSLVISCP-UHFFFAOYSA-N -1 1 293.729 3.242 20 0 CGADMM [O-]c1ccc(F)c(-c2ccnc3c2CCN3)c1Cl ZINC001245834403 803988428 /nfs/dbraw/zinc/98/84/28/803988428.db2.gz GXUPWMVAXYXVNO-UHFFFAOYSA-N -1 1 264.687 3.215 20 0 CGADMM CCCc1cc(=O)n(C(=S)c2ccc(C)cc2)[n-]1 ZINC001245922853 804050233 /nfs/dbraw/zinc/05/02/33/804050233.db2.gz APBXIQDAHARIGK-UHFFFAOYSA-N -1 1 260.362 3.073 20 0 CGADMM Cc1ccccc1-c1cc(=O)n(-c2cccc(C(=O)[O-])c2)[nH]1 ZINC001245936117 804068445 /nfs/dbraw/zinc/06/84/45/804068445.db2.gz MNCVSTSRKOUMRU-UHFFFAOYSA-N -1 1 294.310 3.252 20 0 CGADMM COCCc1cc(=O)n(-c2ccc(C(C)(C)C)cc2)[n-]1 ZINC001245940026 804072991 /nfs/dbraw/zinc/07/29/91/804072991.db2.gz OAFZZNFIFXKWJE-UHFFFAOYSA-N -1 1 274.364 3.064 20 0 CGADMM Cc1[nH]c(CN(C)C/C=C/c2ccccc2)c(C)c1C(=O)[O-] ZINC001140497969 804448971 /nfs/dbraw/zinc/44/89/71/804448971.db2.gz YKYSKWHIEJHOGP-JXMROGBWSA-N -1 1 298.386 3.475 20 0 CGADMM COc1cc(C)cc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC001256929603 807013833 /nfs/dbraw/zinc/01/38/33/807013833.db2.gz ZSBRMDMOSADGMG-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM [O-]c1ccc(CN2Cc3ccc(F)cc3C2)c(F)c1F ZINC001140893113 804542434 /nfs/dbraw/zinc/54/24/34/804542434.db2.gz FWNLSZZNNQPYBY-UHFFFAOYSA-N -1 1 279.261 3.325 20 0 CGADMM CCN(Cc1ccc([O-])c(F)c1F)CC(F)(F)F ZINC001140893017 804542964 /nfs/dbraw/zinc/54/29/64/804542964.db2.gz FYBIIHSSPDOLSF-UHFFFAOYSA-N -1 1 269.213 3.055 20 0 CGADMM C[C@H]1CCN(Cc2cc(F)c([O-])c(F)c2)CC1(F)F ZINC001140987944 804561206 /nfs/dbraw/zinc/56/12/06/804561206.db2.gz HYXHKJNYAMRZLS-QMMMGPOBSA-N -1 1 277.261 3.148 20 0 CGADMM [O-]c1c(F)cc(CN2CCC[C@H]2c2cccnc2)cc1F ZINC001140988162 804564453 /nfs/dbraw/zinc/56/44/53/804564453.db2.gz QALKRBRUQBWRMI-HNNXBMFYSA-N -1 1 290.313 3.403 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2nc(C(C)C)co2)c1 ZINC001141144914 804597327 /nfs/dbraw/zinc/59/73/27/804597327.db2.gz IRQQZWRBPYXUQT-UHFFFAOYSA-N -1 1 292.360 3.478 20 0 CGADMM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)c([O-])c1 ZINC001142065695 804692926 /nfs/dbraw/zinc/69/29/26/804692926.db2.gz LNPTZTVVGSFKIQ-YPMHNXCESA-N -1 1 279.355 3.476 20 0 CGADMM CC1(C)CN(C(=O)c2ccc([O-])cn2)[C@H]1c1ccccc1 ZINC001142254830 804707930 /nfs/dbraw/zinc/70/79/30/804707930.db2.gz HPIZGQFPVXCUAL-HNNXBMFYSA-N -1 1 282.343 3.011 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2ccnc3ccccc32)no1 ZINC001212482685 815035996 /nfs/dbraw/zinc/03/59/96/815035996.db2.gz SRPBERNFUDDYNX-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM CSc1cc(C(=O)Nc2cc(F)cc(F)c2[O-])co1 ZINC001142546279 804735889 /nfs/dbraw/zinc/73/58/89/804735889.db2.gz SXDSFCQOGZRJSC-UHFFFAOYSA-N -1 1 285.271 3.238 20 0 CGADMM C[C@H]1CC[C@H](CNC(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC001248400042 804928537 /nfs/dbraw/zinc/92/85/37/804928537.db2.gz YFJYPEWRQANJFY-QWRGUYRKSA-N -1 1 296.798 3.281 20 0 CGADMM O=C([O-])c1ccc(Nc2ccc3nccn3c2)c(Cl)c1 ZINC001248548811 804950298 /nfs/dbraw/zinc/95/02/98/804950298.db2.gz LDCQKSNXNQICBN-UHFFFAOYSA-N -1 1 287.706 3.430 20 0 CGADMM [O-]c1cc(F)c(CN2CC(c3ccccc3)C2)c(F)c1 ZINC001144559094 805003570 /nfs/dbraw/zinc/00/35/70/805003570.db2.gz IIJPAQJYBXUZLB-UHFFFAOYSA-N -1 1 275.298 3.270 20 0 CGADMM CN(CCc1ccccc1F)Cc1c(F)cc([O-])cc1F ZINC001144561449 805006336 /nfs/dbraw/zinc/00/63/36/805006336.db2.gz JDALWDVSLQJNEP-UHFFFAOYSA-N -1 1 295.304 3.484 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H]2c2nccs2)cc1F ZINC001144657849 805024633 /nfs/dbraw/zinc/02/46/33/805024633.db2.gz KTBTVAJYBRFXOR-LBPRGKRZSA-N -1 1 296.342 3.464 20 0 CGADMM [O-]c1cc(F)c(CN2CCC[C@H]2c2ccccn2)cc1F ZINC001144666516 805028860 /nfs/dbraw/zinc/02/88/60/805028860.db2.gz LSKXAFFOIPUNCE-HNNXBMFYSA-N -1 1 290.313 3.403 20 0 CGADMM CN(Cc1sccc1C(=O)[O-])Cc1ccccc1F ZINC001144677722 805031092 /nfs/dbraw/zinc/03/10/92/805031092.db2.gz ABJGNLBGEYFHBK-UHFFFAOYSA-N -1 1 279.336 3.217 20 0 CGADMM [O-]c1cc(F)c(CN2CC[C@@H](C(F)(F)F)C2)cc1F ZINC001144666714 805031292 /nfs/dbraw/zinc/03/12/92/805031292.db2.gz MZHJXVVJKRZOEK-MRVPVSSYSA-N -1 1 281.224 3.055 20 0 CGADMM [O-]c1cc(F)c(CN2CCc3ccsc3C2)cc1F ZINC001144667105 805032160 /nfs/dbraw/zinc/03/21/60/805032160.db2.gz SMOZPQHNUCSNBC-UHFFFAOYSA-N -1 1 281.327 3.290 20 0 CGADMM CC1(C)CCCC[C@H]1C(=O)[N-]Oc1ccc(F)cc1 ZINC001146551824 805074719 /nfs/dbraw/zinc/07/47/19/805074719.db2.gz QFWISECEVBMFNN-ZDUSSCGKSA-N -1 1 265.328 3.452 20 0 CGADMM CC[C@]1(C)CCCN(C(=O)c2cccc([O-])c2F)C1 ZINC001147875923 805155469 /nfs/dbraw/zinc/15/54/69/805155469.db2.gz YXVDVLIKKWHGHM-OAHLLOKOSA-N -1 1 265.328 3.184 20 0 CGADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)[C@@H](C)c1ccccc1 ZINC001148723272 805207124 /nfs/dbraw/zinc/20/71/24/805207124.db2.gz ICGCTEZYYJGULD-NEPJUHHUSA-N -1 1 287.334 3.453 20 0 CGADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc(F)c([O-])c1 ZINC001148723274 805207632 /nfs/dbraw/zinc/20/76/32/805207632.db2.gz ICGCTEZYYJGULD-RYUDHWBXSA-N -1 1 287.334 3.453 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N1Cc1ccc(F)c(C(=O)[O-])c1F ZINC001249759894 805235942 /nfs/dbraw/zinc/23/59/42/805235942.db2.gz MKKLJWSTFCURES-NXEZZACHSA-N -1 1 283.318 3.426 20 0 CGADMM CCC(CC)CNC(=O)c1cc2cccc(O)c2cc1[O-] ZINC001149645572 805240454 /nfs/dbraw/zinc/24/04/54/805240454.db2.gz ZGTUFANSUQUULK-UHFFFAOYSA-N -1 1 287.359 3.417 20 0 CGADMM [O-]c1cc(F)cnc1Nc1cc2ccc(F)cc2[nH]1 ZINC001249873431 805270621 /nfs/dbraw/zinc/27/06/21/805270621.db2.gz DZAJDEUCWYJTBW-UHFFFAOYSA-N -1 1 261.231 3.290 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cccc(O)c1F ZINC001212548491 815062532 /nfs/dbraw/zinc/06/25/32/815062532.db2.gz PIFFDELTMWOEHN-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM COc1cccc(C(=O)Cc2cc(F)c([O-])cc2F)c1 ZINC001249903226 805292847 /nfs/dbraw/zinc/29/28/47/805292847.db2.gz ZYYITZXPEQGKAE-UHFFFAOYSA-N -1 1 278.254 3.104 20 0 CGADMM O=C(/C=C\c1ccsc1)Nc1cccc(F)c1[O-] ZINC001151780065 805312179 /nfs/dbraw/zinc/31/21/79/805312179.db2.gz SVEKAWRFRGMMHZ-PLNGDYQASA-N -1 1 263.293 3.245 20 0 CGADMM Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(F)c2[O-])c1 ZINC001151771158 805312417 /nfs/dbraw/zinc/31/24/17/805312417.db2.gz BRMCHQFEDAHTKQ-NSHDSACASA-N -1 1 289.306 3.246 20 0 CGADMM Cn1ncc2c1cccc2Nc1cc([O-])c(F)c(F)c1F ZINC001249962934 805331147 /nfs/dbraw/zinc/33/11/47/805331147.db2.gz IZVZBAKEZSHYDB-UHFFFAOYSA-N -1 1 293.248 3.440 20 0 CGADMM O=C(Nc1ccc(F)c(C(F)F)c1)c1ccc(O)cc1[O-] ZINC001152258785 805340993 /nfs/dbraw/zinc/34/09/93/805340993.db2.gz OYBAAGGAVAFYGH-UHFFFAOYSA-N -1 1 297.232 3.427 20 0 CGADMM CCOC(=O)CCCCc1c(F)cc(F)c([O-])c1F ZINC001249981099 805341176 /nfs/dbraw/zinc/34/11/76/805341176.db2.gz KFIXICXPFIWRQN-UHFFFAOYSA-N -1 1 276.254 3.085 20 0 CGADMM Cc1cc(Nc2cc(Cl)c([O-])cc2F)nc(C)n1 ZINC001250019067 805369964 /nfs/dbraw/zinc/36/99/64/805369964.db2.gz XLQVIGYVWZSGAV-UHFFFAOYSA-N -1 1 267.691 3.335 20 0 CGADMM [O-]c1cc(F)c(Nc2cncc(Cl)n2)cc1Cl ZINC001250020254 805372345 /nfs/dbraw/zinc/37/23/45/805372345.db2.gz HFVDKOOCVMUJBA-UHFFFAOYSA-N -1 1 274.082 3.372 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])ccc2ccccc21)c1ccncc1 ZINC001153499111 805400593 /nfs/dbraw/zinc/40/05/93/805400593.db2.gz ZPGQPMXSZOAFPD-GFCCVEGCSA-N -1 1 292.338 3.431 20 0 CGADMM [O-]c1cc(Cc2ccc3c(c2)OCO3)c(F)c(F)c1F ZINC001250158114 805451032 /nfs/dbraw/zinc/45/10/32/805451032.db2.gz KJGGMATXQNRMFN-UHFFFAOYSA-N -1 1 282.217 3.129 20 0 CGADMM Cc1nn(-c2ccc(Cl)c([O-])c2)c2cc(N)cc(F)c12 ZINC001212593390 815080356 /nfs/dbraw/zinc/08/03/56/815080356.db2.gz OJXBCHDFYYZZFF-UHFFFAOYSA-N -1 1 291.713 3.414 20 0 CGADMM [O-]c1ccc(F)c(Nc2cnccc2F)c1Cl ZINC001250234787 805509407 /nfs/dbraw/zinc/50/94/07/805509407.db2.gz XVWNWJPZRGLZDP-UHFFFAOYSA-N -1 1 256.639 3.462 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2ccc3cccnc3c2)c1 ZINC001256923190 807012944 /nfs/dbraw/zinc/01/29/44/807012944.db2.gz BCUTXJPOSMCSGM-UHFFFAOYSA-N -1 1 298.367 3.344 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C)c1 ZINC001256928767 807012986 /nfs/dbraw/zinc/01/29/86/807012986.db2.gz CWPZNJSBZMZESI-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM CCCCC[C@@H]1CCCCN1C(=O)c1ccc([O-])cn1 ZINC001167602945 807211982 /nfs/dbraw/zinc/21/19/82/807211982.db2.gz NDBGWMNVWQGAJA-CYBMUJFWSA-N -1 1 276.380 3.362 20 0 CGADMM CC(C)(C)Cc1nnc(-c2nc(C(F)(F)F)c[n-]2)o1 ZINC001257879952 807235298 /nfs/dbraw/zinc/23/52/98/807235298.db2.gz BQLYULZOJQNTFT-UHFFFAOYSA-N -1 1 274.246 3.067 20 0 CGADMM CC(C)(C)Cc1nnc(-c2ncc(C(F)(F)F)[n-]2)o1 ZINC001257879952 807235302 /nfs/dbraw/zinc/23/53/02/807235302.db2.gz BQLYULZOJQNTFT-UHFFFAOYSA-N -1 1 274.246 3.067 20 0 CGADMM Cc1cc(Cl)cc(-c2noc(-c3ccncc3[O-])n2)c1 ZINC001212721287 815114254 /nfs/dbraw/zinc/11/42/54/815114254.db2.gz IHSFSSIJPUSBBH-UHFFFAOYSA-N -1 1 287.706 3.466 20 0 CGADMM [O-]c1ccc(-c2nnc(CC3CCCC3)o2)cc1F ZINC001258691272 807546848 /nfs/dbraw/zinc/54/68/48/807546848.db2.gz SVOUZNCQLYSOJO-UHFFFAOYSA-N -1 1 262.284 3.314 20 0 CGADMM [O-]c1cc(F)cc(-c2nnc(CC3CCCC3)o2)c1 ZINC001258691363 807547077 /nfs/dbraw/zinc/54/70/77/807547077.db2.gz WPQHOLYMUVCJKQ-UHFFFAOYSA-N -1 1 262.284 3.314 20 0 CGADMM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC001259275059 807677584 /nfs/dbraw/zinc/67/75/84/807677584.db2.gz KHQYJYSSUZYQAO-UHFFFAOYSA-N -1 1 299.701 3.263 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001261760345 807783267 /nfs/dbraw/zinc/78/32/67/807783267.db2.gz HPMLICAJRLVDFC-QNSHHTMESA-N -1 1 285.265 3.151 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cccc2[nH]cnc21 ZINC001213029174 815203745 /nfs/dbraw/zinc/20/37/45/815203745.db2.gz HHPDTSHIKAROLO-UHFFFAOYSA-N -1 1 260.684 3.061 20 0 CGADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc2[nH]cnc21 ZINC001213029691 815204788 /nfs/dbraw/zinc/20/47/88/815204788.db2.gz RNLAANFAOULGQJ-UHFFFAOYSA-N -1 1 293.282 3.119 20 0 CGADMM CC(=O)Nc1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001173834937 808699047 /nfs/dbraw/zinc/69/90/47/808699047.db2.gz ALRRMCWDVCZVDX-UHFFFAOYSA-N -1 1 278.258 3.372 20 0 CGADMM O=c1ccn(-c2ccc(Nc3ccccc3F)cc2)[n-]1 ZINC001173846505 808708245 /nfs/dbraw/zinc/70/82/45/808708245.db2.gz JEJFTJSKHYVWFN-UHFFFAOYSA-N -1 1 269.279 3.461 20 0 CGADMM Cc1nn(C)cc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001174336903 808958290 /nfs/dbraw/zinc/95/82/90/808958290.db2.gz IDFGHGRZUHTFSU-UHFFFAOYSA-N -1 1 272.135 3.485 20 0 CGADMM Cc1c(Nc2cc(Cl)cc(Cl)c2[O-])cnn1C ZINC001174390753 808990091 /nfs/dbraw/zinc/99/00/91/808990091.db2.gz PQZDFMHMLILHSL-UHFFFAOYSA-N -1 1 272.135 3.485 20 0 CGADMM Nc1ccc(Nc2cc(F)c([O-])cc2F)c(F)c1 ZINC001174482776 809038173 /nfs/dbraw/zinc/03/81/73/809038173.db2.gz DLZNTACZSLVXQE-UHFFFAOYSA-N -1 1 254.211 3.135 20 0 CGADMM COc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)ncc1C ZINC001174496586 809043312 /nfs/dbraw/zinc/04/33/12/809043312.db2.gz OBYYGFNUDBOYSW-VOTSOKGWSA-N -1 1 284.315 3.240 20 0 CGADMM Cc1cc(O)ccc1Nc1cc(F)c([O-])cc1F ZINC001174564930 809086150 /nfs/dbraw/zinc/08/61/50/809086150.db2.gz RQULUBKAFMJJFD-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM c1cnc2c(c1)cccc2[N-]c1nonc1C1CC1 ZINC001174858661 809180127 /nfs/dbraw/zinc/18/01/27/809180127.db2.gz KPGXBOFRDQZNJM-UHFFFAOYSA-N -1 1 252.277 3.239 20 0 CGADMM [O-]c1c(F)cc(Nc2cc(CO)ccc2F)cc1F ZINC001175131583 809283926 /nfs/dbraw/zinc/28/39/26/809283926.db2.gz HFKTUZQTYQTMSL-UHFFFAOYSA-N -1 1 269.222 3.045 20 0 CGADMM CCc1nc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)co1 ZINC001288031507 809351531 /nfs/dbraw/zinc/35/15/31/809351531.db2.gz OXIOLZGXWRLISO-UHFFFAOYSA-N -1 1 288.200 3.046 20 0 CGADMM Cc1cnc(C(=O)NCCCC2CCCCC2)c([O-])c1 ZINC001290871025 809418519 /nfs/dbraw/zinc/41/85/19/809418519.db2.gz XMRMBPXXYDYXSM-UHFFFAOYSA-N -1 1 276.380 3.186 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCCC[C@H]2C(C)C)c1 ZINC001293450958 809448609 /nfs/dbraw/zinc/44/86/09/809448609.db2.gz MJIZGIXKSQBESD-HNNXBMFYSA-N -1 1 289.375 3.164 20 0 CGADMM O=C(NCC(C1CC1)C1CC1)c1ncc2ccccc2c1[O-] ZINC001294175170 809462589 /nfs/dbraw/zinc/46/25/89/809462589.db2.gz VHHMSQHEYSRJHP-UHFFFAOYSA-N -1 1 296.370 3.106 20 0 CGADMM CC(C)c1ccc(N(C)C(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC001294649086 809473360 /nfs/dbraw/zinc/47/33/60/809473360.db2.gz GVRRXVUZIZNXAA-UHFFFAOYSA-N -1 1 297.354 3.361 20 0 CGADMM Cc1nc(N)ncc1Nc1c(Cl)ccc([O-])c1Cl ZINC001175671265 809500430 /nfs/dbraw/zinc/50/04/30/809500430.db2.gz LCGGLMPPSGCVTB-UHFFFAOYSA-N -1 1 285.134 3.123 20 0 CGADMM COCCOc1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001175785690 809542411 /nfs/dbraw/zinc/54/24/11/809542411.db2.gz OJRVBEMEMRATML-UHFFFAOYSA-N -1 1 295.285 3.439 20 0 CGADMM Cc1ccc(C(=O)Nc2ccc3c(c2)CCCC3=O)c([O-])c1 ZINC001299841799 809556866 /nfs/dbraw/zinc/55/68/66/809556866.db2.gz GXFCIPQBRCFGKP-UHFFFAOYSA-N -1 1 295.338 3.472 20 0 CGADMM C[C@H]1CCC[C@@H](CNC(=O)c2cc3ccccc3cc2[O-])O1 ZINC001300962635 809576824 /nfs/dbraw/zinc/57/68/24/809576824.db2.gz PMYGRTCVZGCQGN-WFASDCNBSA-N -1 1 299.370 3.233 20 0 CGADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC001302411951 809593178 /nfs/dbraw/zinc/59/31/78/809593178.db2.gz GLMHJANCAWUCQU-JBBSTSQOSA-N -1 1 299.370 3.087 20 0 CGADMM CC(C)(NC(=O)c1cc(Cl)ccc1[O-])[C@@H]1CCCCO1 ZINC001302673256 809599303 /nfs/dbraw/zinc/59/93/03/809599303.db2.gz LLEYNVSDOBICFE-ZDUSSCGKSA-N -1 1 297.782 3.123 20 0 CGADMM COc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1O ZINC001176258712 809656973 /nfs/dbraw/zinc/65/69/73/809656973.db2.gz QFVKMKGRPXBYDM-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM [O-]c1c(F)cc(Nc2ccc(O)cc2F)cc1F ZINC001176413290 809689925 /nfs/dbraw/zinc/68/99/25/809689925.db2.gz HABSEMXGCQSCCR-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM CCOc1cc(Nc2cc([O-])c(F)c(F)c2)c(F)cn1 ZINC001176603771 809729332 /nfs/dbraw/zinc/72/93/32/809729332.db2.gz NLGHGPBNRLHVII-UHFFFAOYSA-N -1 1 284.237 3.347 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2nc(F)ccc2F)c1F ZINC001176662869 809737138 /nfs/dbraw/zinc/73/71/38/809737138.db2.gz BHWIVBDAYXFAOO-UHFFFAOYSA-N -1 1 276.164 3.226 20 0 CGADMM Cc1ccc(N)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672109 809740048 /nfs/dbraw/zinc/74/00/48/809740048.db2.gz DXVXUQKSMQBPKL-UHFFFAOYSA-N -1 1 268.238 3.444 20 0 CGADMM Cc1nc2ccc(N)cc2n1-c1c(F)cc(F)c([O-])c1F ZINC001176671994 809740204 /nfs/dbraw/zinc/74/02/04/809740204.db2.gz QXQXCTCZTHIRCD-UHFFFAOYSA-N -1 1 293.248 3.039 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cc(O)ccc2F)c1F ZINC001176673268 809741115 /nfs/dbraw/zinc/74/11/15/809741115.db2.gz QSTFDWAGKXEPJU-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM COc1cc(CO)cc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176674228 809741339 /nfs/dbraw/zinc/74/13/39/809741339.db2.gz SBNNGIXEYMQKKU-UHFFFAOYSA-N -1 1 299.248 3.054 20 0 CGADMM CCc1ccc(C(=O)Nc2nc(CC(C)C)co2)c([O-])c1 ZINC001180595957 810012917 /nfs/dbraw/zinc/01/29/17/810012917.db2.gz FHDXTFPNSUNALA-UHFFFAOYSA-N -1 1 288.347 3.393 20 0 CGADMM O=C(C[C@H]1OCc2ccccc21)Nc1ccc(F)cc1[O-] ZINC001183054771 810136247 /nfs/dbraw/zinc/13/62/47/810136247.db2.gz SVASHBXZOAHHKG-OAHLLOKOSA-N -1 1 287.290 3.131 20 0 CGADMM O=C(Nc1ccccc1-c1cnco1)c1ccc([O-])cc1F ZINC001186329623 810328662 /nfs/dbraw/zinc/32/86/62/810328662.db2.gz UBKJTGPCIDCRMG-UHFFFAOYSA-N -1 1 298.273 3.439 20 0 CGADMM O=S(=O)(Nc1c([S-])cccc1Cl)c1ccco1 ZINC001186863151 810367921 /nfs/dbraw/zinc/36/79/21/810367921.db2.gz KKZQRZIEPOECQN-UHFFFAOYSA-N -1 1 289.765 3.023 20 0 CGADMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001187130855 810387197 /nfs/dbraw/zinc/38/71/97/810387197.db2.gz UVWQDAJJXNZIBH-VHSXEESVSA-N -1 1 299.367 3.285 20 0 CGADMM Cc1ccc(Nc2cc([O-])c(F)c(F)c2)c(N)c1 ZINC001214188778 815380020 /nfs/dbraw/zinc/38/00/20/815380020.db2.gz NDWYPCNIRDMYLW-UHFFFAOYSA-N -1 1 250.248 3.305 20 0 CGADMM Cc1ccc(O)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001214229495 815388390 /nfs/dbraw/zinc/38/83/90/815388390.db2.gz NUBZRRJCWKRFKD-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM C[C@H]1CC[C@H](NC(=O)Nc2cc(F)cc(F)c2[O-])CC1 ZINC001191826209 810747817 /nfs/dbraw/zinc/74/78/17/810747817.db2.gz XAIUDMLDTGOTOF-CZMCAQCFSA-N -1 1 284.306 3.371 20 0 CGADMM C[C@H]1CCC[C@H](C)N1C(=O)c1c(F)ccc([O-])c1F ZINC001192520124 810804958 /nfs/dbraw/zinc/80/49/58/810804958.db2.gz GPYGMCWDTVDZMV-IUCAKERBSA-N -1 1 269.291 3.074 20 0 CGADMM [O-]c1c(F)cc(Nc2nonc2C2CC2)cc1Cl ZINC001214485265 815416345 /nfs/dbraw/zinc/41/63/45/815416345.db2.gz YBMXICJRCNRPRN-UHFFFAOYSA-N -1 1 269.663 3.189 20 0 CGADMM Cc1nnc2ccc(Nc3cc(F)c([O-])c(Cl)c3)cn12 ZINC001214484945 815416418 /nfs/dbraw/zinc/41/64/18/815416418.db2.gz SVXDVNCYNNILJS-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM CC(C)(C)COC(=O)Nc1c(F)cc([O-])cc1F ZINC001194391304 811067569 /nfs/dbraw/zinc/06/75/69/811067569.db2.gz LJMZGEJZYGFQDD-UHFFFAOYSA-N -1 1 259.252 3.265 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc2ccccc2s1 ZINC001195455169 811256204 /nfs/dbraw/zinc/25/62/04/811256204.db2.gz RWBFVDBRCPNUQP-UHFFFAOYSA-N -1 1 280.374 3.344 20 0 CGADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)c(F)cc1F ZINC001195486718 811260416 /nfs/dbraw/zinc/26/04/16/811260416.db2.gz JWIAGSLVBMLKRU-UHFFFAOYSA-N -1 1 294.710 3.061 20 0 CGADMM Cc1nonc1[N-]c1cncc(OCc2ccccc2)c1 ZINC001201621499 811923034 /nfs/dbraw/zinc/92/30/34/811923034.db2.gz JLBMCLWTMFPIFK-UHFFFAOYSA-N -1 1 282.303 3.096 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])N[C@@H]1C[C@H]1c1ccccc1 ZINC001201933460 811976409 /nfs/dbraw/zinc/97/64/09/811976409.db2.gz CYVDEAXDGLTZQU-SMDDNHRTSA-N -1 1 286.306 3.209 20 0 CGADMM COc1cccc(NC(=O)Nc2cc(Cl)ncc2[O-])c1 ZINC001202269664 812053975 /nfs/dbraw/zinc/05/39/75/812053975.db2.gz VILKWTLXOWFEMM-UHFFFAOYSA-N -1 1 293.710 3.093 20 0 CGADMM CCNC(=O)Nc1c([O-])cc(C(F)(F)F)cc1Cl ZINC001202548862 812120063 /nfs/dbraw/zinc/12/00/63/812120063.db2.gz DFCXRFCQIJMJJF-UHFFFAOYSA-N -1 1 282.649 3.206 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)NC1CCCCC1 ZINC001202614761 812136416 /nfs/dbraw/zinc/13/64/16/812136416.db2.gz QGEYLPAMENYCTI-UHFFFAOYSA-N -1 1 270.279 3.125 20 0 CGADMM CSc1nc(Nc2coc3ccccc23)cc(=O)[n-]1 ZINC001203146330 812253112 /nfs/dbraw/zinc/25/31/12/812253112.db2.gz HPQKCJLDTSUURM-UHFFFAOYSA-N -1 1 273.317 3.394 20 0 CGADMM Cc1nnc([N-]c2ccc(F)c(F)c2OC(C)C)o1 ZINC001215421210 815518988 /nfs/dbraw/zinc/51/89/88/815518988.db2.gz UKPDTAGPMRMDLT-UHFFFAOYSA-N -1 1 269.251 3.187 20 0 CGADMM CCc1nc(OC)ccc1Nc1ccnc(Cl)c1[O-] ZINC001203585330 812399725 /nfs/dbraw/zinc/39/97/25/812399725.db2.gz TWMLEZLAEKTQBV-UHFFFAOYSA-N -1 1 279.727 3.150 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1cc(F)c(O)cc1F ZINC001215572777 815538952 /nfs/dbraw/zinc/53/89/52/815538952.db2.gz VQFYSSFSANGBGD-UHFFFAOYSA-N -1 1 272.638 3.168 20 0 CGADMM O=C1NCc2ccc(Nc3cc(F)c([O-])cc3F)cc2N1 ZINC001215576539 815539620 /nfs/dbraw/zinc/53/96/20/815539620.db2.gz BZOOVFCZICMXPH-UHFFFAOYSA-N -1 1 291.257 3.049 20 0 CGADMM [O-]c1ccc(-c2nc(-c3ccc(Cl)cc3F)no2)nn1 ZINC001205294591 812936362 /nfs/dbraw/zinc/93/63/62/812936362.db2.gz XTWJLSYKWVKABD-UHFFFAOYSA-N -1 1 292.657 3.253 20 0 CGADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cnn2cccnc12 ZINC001205977417 813150328 /nfs/dbraw/zinc/15/03/28/813150328.db2.gz FWYSLBUACFLPFE-UHFFFAOYSA-N -1 1 295.129 3.485 20 0 CGADMM O=C([O-])c1cc(-c2cc3nc[nH]c3cc2F)cc(F)c1F ZINC001206051187 813181485 /nfs/dbraw/zinc/18/14/85/813181485.db2.gz FXHHXKZDWWBOIS-UHFFFAOYSA-N -1 1 292.216 3.345 20 0 CGADMM COC(=O)c1ccc(-c2cc(F)c([O-])cc2F)cc1C ZINC001206776026 813434631 /nfs/dbraw/zinc/43/46/31/813434631.db2.gz WPAFLHCEJJENAC-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM C[C@H](O)c1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001210509714 814499379 /nfs/dbraw/zinc/49/93/79/814499379.db2.gz ZMABYPXWBZAHIF-JTQLQIEISA-N -1 1 297.310 3.296 20 0 CGADMM Cc1nonc1[N-]c1ccc(C)cc1C(F)(F)F ZINC001210524349 814508652 /nfs/dbraw/zinc/50/86/52/814508652.db2.gz GUUYDILNYRXRIY-UHFFFAOYSA-N -1 1 257.215 3.449 20 0 CGADMM [O-]c1c(Nc2cccc3c2OCO3)ccc(F)c1F ZINC001210562558 814527619 /nfs/dbraw/zinc/52/76/19/814527619.db2.gz WSRTVGVILQFVDA-UHFFFAOYSA-N -1 1 265.215 3.143 20 0 CGADMM COc1cc2ccccc2c([N-]c2nnc(C)o2)c1 ZINC001210585901 814543555 /nfs/dbraw/zinc/54/35/55/814543555.db2.gz LQLUHZWCOLGMSS-UHFFFAOYSA-N -1 1 255.277 3.283 20 0 CGADMM CN(C)c1ncc(Nc2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001210927754 814677367 /nfs/dbraw/zinc/67/73/67/814677367.db2.gz YDRFOTUGKMTTAC-UHFFFAOYSA-N -1 1 299.161 3.299 20 0 CGADMM CCOC(=O)c1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242798662 823135668 /nfs/dbraw/zinc/13/56/68/823135668.db2.gz OMGGLOJCANGLDD-UHFFFAOYSA-N -1 1 277.707 3.284 20 0 CGADMM CCOc1cc(C)nc(-c2cccc([O-])c2Cl)n1 ZINC001242798283 823135866 /nfs/dbraw/zinc/13/58/66/823135866.db2.gz LDSZCAIDWJEBBW-UHFFFAOYSA-N -1 1 264.712 3.210 20 0 CGADMM Cc1c(CO)cccc1Nc1c([O-])cc(F)cc1F ZINC001211166044 814839321 /nfs/dbraw/zinc/83/93/21/814839321.db2.gz NZFHEGZLFHMPLX-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM [O-]c1cccc(-c2nccc(N3CCCCC3)n2)c1Cl ZINC001242801841 823137256 /nfs/dbraw/zinc/13/72/56/823137256.db2.gz YSARUOXRBLDELA-UHFFFAOYSA-N -1 1 289.766 3.493 20 0 CGADMM COC(=O)c1c(F)cncc1-c1cccc([O-])c1Cl ZINC001242801419 823137293 /nfs/dbraw/zinc/13/72/93/823137293.db2.gz ZTLYXGJBGVHLIC-UHFFFAOYSA-N -1 1 281.670 3.033 20 0 CGADMM COc1cc(-c2cccc([O-])c2Cl)ncc1F ZINC001242801218 823137492 /nfs/dbraw/zinc/13/74/92/823137492.db2.gz QFOIRFKYODRGBJ-UHFFFAOYSA-N -1 1 253.660 3.255 20 0 CGADMM O=C1CCCN1c1ccc(-c2cccc([O-])c2Cl)cn1 ZINC001242802519 823137646 /nfs/dbraw/zinc/13/76/46/823137646.db2.gz KEJMKCAGCDHSMU-UHFFFAOYSA-N -1 1 288.734 3.234 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccc(F)c(O)c1 ZINC001211215452 814851922 /nfs/dbraw/zinc/85/19/22/814851922.db2.gz QEQPJXMWDKJWRS-UHFFFAOYSA-N -1 1 254.648 3.029 20 0 CGADMM O=c1c(-c2cccc([O-])c2Cl)cccn1-c1ccncc1 ZINC001242802111 823137944 /nfs/dbraw/zinc/13/79/44/823137944.db2.gz RDKIJNLQDZAEJJ-UHFFFAOYSA-N -1 1 298.729 3.259 20 0 CGADMM CC(C)Oc1ncc(-c2cccc([O-])c2Cl)cn1 ZINC001242803438 823138541 /nfs/dbraw/zinc/13/85/41/823138541.db2.gz PVZXNWNRFUVWLP-UHFFFAOYSA-N -1 1 264.712 3.290 20 0 CGADMM CSc1cncc(-c2cc(F)c([O-])cc2F)c1 ZINC001211338617 814881503 /nfs/dbraw/zinc/88/15/03/814881503.db2.gz GCYDCSZQIUQIPD-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM [O-]c1cc(F)c(-c2ccc3c(c2)OCCN3)cc1F ZINC001211360239 814886574 /nfs/dbraw/zinc/88/65/74/814886574.db2.gz QBHDCOQVCKBNCG-UHFFFAOYSA-N -1 1 263.243 3.142 20 0 CGADMM Cc1cc(Nc2c([O-])cc(F)cc2F)ccc1CO ZINC001211583560 814912076 /nfs/dbraw/zinc/91/20/76/814912076.db2.gz MRSHLXWYRGACJG-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM Cc1cc(Nc2cc(F)c([O-])cc2F)ccc1CO ZINC001211588331 814913381 /nfs/dbraw/zinc/91/33/81/814913381.db2.gz OQOQVKIYSFDATL-UHFFFAOYSA-N -1 1 265.259 3.215 20 0 CGADMM COCOc1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001211643950 814924067 /nfs/dbraw/zinc/92/40/67/814924067.db2.gz NIQWAHDDKKYALW-UHFFFAOYSA-N -1 1 281.258 3.397 20 0 CGADMM COc1cc(CO)cc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001216201685 815736939 /nfs/dbraw/zinc/73/69/39/815736939.db2.gz JVLDBBZRXZTOEG-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM CNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2[O-])cn1 ZINC001218654432 816250206 /nfs/dbraw/zinc/25/02/06/816250206.db2.gz MOGOTPQTHCPMOS-UHFFFAOYSA-N -1 1 299.374 3.379 20 0 CGADMM Cc1nc2cc(-c3cc(F)c([O-])cc3F)cnc2o1 ZINC001222082333 816343228 /nfs/dbraw/zinc/34/32/28/816343228.db2.gz BVPNPKFANWZUSB-UHFFFAOYSA-N -1 1 262.215 3.182 20 0 CGADMM CN1CCOc2ccc(-c3cc(F)c([O-])cc3F)cc21 ZINC001222086159 816344520 /nfs/dbraw/zinc/34/45/20/816344520.db2.gz IHTOWNMUINUCRE-UHFFFAOYSA-N -1 1 277.270 3.166 20 0 CGADMM COc1cc(-c2cc(F)c([O-])cc2F)c2cc[nH]c2n1 ZINC001222086408 816344928 /nfs/dbraw/zinc/34/49/28/816344928.db2.gz JSORZTHNYGONDZ-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM CCCOc1ccc(C)c(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001222178477 816369188 /nfs/dbraw/zinc/36/91/88/816369188.db2.gz DMIVVHCIPFRODK-UHFFFAOYSA-N -1 1 295.346 3.026 20 0 CGADMM CCCOc1ccc(C)c(-c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001222178477 816369192 /nfs/dbraw/zinc/36/91/92/816369192.db2.gz DMIVVHCIPFRODK-UHFFFAOYSA-N -1 1 295.346 3.026 20 0 CGADMM CCCC[C@@H](OCC[P@](=O)([O-])O)[C@@H](C)CCC ZINC001224602264 816831120 /nfs/dbraw/zinc/83/11/20/816831120.db2.gz PGBSXXRZDWLLSI-NWDGAFQWSA-N -1 1 266.318 3.176 20 0 CGADMM CCCC[C@H](OCC[P@](=O)([O-])O)C1CCCCC1 ZINC001224601977 816831852 /nfs/dbraw/zinc/83/18/52/816831852.db2.gz MTELOFGYABSBDU-ZDUSSCGKSA-N -1 1 278.329 3.320 20 0 CGADMM COc1nc(-c2ccccc2)nc(-c2ccc(F)c([O-])c2)n1 ZINC001243053450 823229026 /nfs/dbraw/zinc/22/90/26/823229026.db2.gz DMMYJEPMHAPAEL-UHFFFAOYSA-N -1 1 297.289 3.059 20 0 CGADMM CCC(CC)[C@H](CC)OCCCC[P@](=O)([O-])O ZINC001225019441 816934633 /nfs/dbraw/zinc/93/46/33/816934633.db2.gz VXHONEFKVCOPPA-LBPRGKRZSA-N -1 1 266.318 3.176 20 0 CGADMM CC(C)C1CCC(OCCCC[P@](=O)([O-])O)CC1 ZINC001225019886 816934986 /nfs/dbraw/zinc/93/49/86/816934986.db2.gz BQXWKANDJXKUSR-UHFFFAOYSA-N -1 1 278.329 3.176 20 0 CGADMM CCC[C@H](OCCCC[P@](=O)([O-])O)[C@@H](C)CC ZINC001225023298 816935025 /nfs/dbraw/zinc/93/50/25/816935025.db2.gz WWQPSXYSBYETKE-RYUDHWBXSA-N -1 1 266.318 3.176 20 0 CGADMM COC(=O)c1nc2cc(-c3cc4ccccc4[nH]3)ccc2[n-]1 ZINC001243104792 823248717 /nfs/dbraw/zinc/24/87/17/823248717.db2.gz WJCISRWVUHAXBN-UHFFFAOYSA-N -1 1 291.310 3.498 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc4ccccc4[nH]3)cc2[n-]1 ZINC001243104792 823248719 /nfs/dbraw/zinc/24/87/19/823248719.db2.gz WJCISRWVUHAXBN-UHFFFAOYSA-N -1 1 291.310 3.498 20 0 CGADMM CCC[C@H]1CCCC[C@H]1Oc1nc(=O)[n-]cc1C(C)=O ZINC001226238277 817306880 /nfs/dbraw/zinc/30/68/80/817306880.db2.gz QRTVATALAUPZEA-WCQYABFASA-N -1 1 278.352 3.123 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H]1CCc2c1cccc2C ZINC001226241783 817308801 /nfs/dbraw/zinc/30/88/01/817308801.db2.gz AZONPPBKNFEJOY-GFCCVEGCSA-N -1 1 288.372 3.149 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@H]1CCC[C@H](C)C1 ZINC001227168760 817578961 /nfs/dbraw/zinc/57/89/61/817578961.db2.gz NFFOETNOHXWGAI-AAEUAGOBSA-N -1 1 278.348 3.179 20 0 CGADMM Cc1cccc2c1[C@H](Oc1[n-]c(=O)nc3c1CO[C@H]3C)CC2 ZINC001227709472 817699715 /nfs/dbraw/zinc/69/97/15/817699715.db2.gz DEPZDKHLZMQGPR-GXFFZTMASA-N -1 1 298.342 3.148 20 0 CGADMM C[C@H]1CC[C@H](Oc2[n-]c(=S)nc3cnccc32)C1 ZINC001227881696 817742477 /nfs/dbraw/zinc/74/24/77/817742477.db2.gz NQJKPPWLUFIVNU-IUCAKERBSA-N -1 1 261.350 3.255 20 0 CGADMM CSc1nc(O[C@@H](C)c2ccc(F)cc2)cc(=O)[n-]1 ZINC001228091384 817808845 /nfs/dbraw/zinc/80/88/45/817808845.db2.gz YWLUVLXSZNOYIC-QMMMGPOBSA-N -1 1 280.324 3.183 20 0 CGADMM CSc1nc(O[C@@H]2CCc3cc(C)ccc32)cc(=O)[n-]1 ZINC001228090489 817809257 /nfs/dbraw/zinc/80/92/57/817809257.db2.gz LTUHJJSIOFNPAB-GFCCVEGCSA-N -1 1 288.372 3.279 20 0 CGADMM Cc1cc(=O)cc(OC(=C([O-])c2ccco2)c2ccco2)[nH]1 ZINC001228121412 817817278 /nfs/dbraw/zinc/81/72/78/817817278.db2.gz KAPGOJVJBIYJCD-INIZCTEOSA-N -1 1 299.282 3.285 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCCC[C@@H]1F ZINC001228554718 817936925 /nfs/dbraw/zinc/93/69/25/817936925.db2.gz KJHFPSOOZMFFKP-GWCFXTLKSA-N -1 1 282.311 3.350 20 0 CGADMM C[C@H](Cc1ccco1)Oc1cccnc1-c1ncccc1[O-] ZINC001231201597 818056093 /nfs/dbraw/zinc/05/60/93/818056093.db2.gz BBATZHCBYHBPRG-GFCCVEGCSA-N -1 1 296.326 3.452 20 0 CGADMM [O-]c1cccnc1-c1ncccc1O[C@H]1C=CCCC1 ZINC001231201116 818056303 /nfs/dbraw/zinc/05/63/03/818056303.db2.gz XJURGEXLWUPUDY-LBPRGKRZSA-N -1 1 268.316 3.337 20 0 CGADMM C[C@H]1COC[C@@H]1Oc1ccccc1C(=O)c1ccc([O-])cc1 ZINC001231229704 818062356 /nfs/dbraw/zinc/06/23/56/818062356.db2.gz XMJQSSPZHDWVNW-SJCJKPOMSA-N -1 1 298.338 3.037 20 0 CGADMM C[C@H]1Cc2ccccc2CN1Cc1cc(C(=O)[O-])ccc1F ZINC001231461593 818101800 /nfs/dbraw/zinc/10/18/00/818101800.db2.gz XSZUTNRNNGWOJC-LBPRGKRZSA-N -1 1 299.345 3.471 20 0 CGADMM [O-]c1cccc(CN2CC[C@H](CF)C(F)(F)C2)c1Cl ZINC001232784232 818439208 /nfs/dbraw/zinc/43/92/08/818439208.db2.gz IPISCVQXBLQRRQ-SNVBAGLBSA-N -1 1 293.716 3.472 20 0 CGADMM [O-]c1c(F)ccc(CN2CC[C@H](CF)C(F)(F)C2)c1F ZINC001232932132 818475929 /nfs/dbraw/zinc/47/59/29/818475929.db2.gz WDYBMTLGIYDVEB-SECBINFHSA-N -1 1 295.251 3.097 20 0 CGADMM [O-]c1cc(CN2CCCC(F)(F)CC2)cc(F)c1F ZINC001232970264 818487420 /nfs/dbraw/zinc/48/74/20/818487420.db2.gz HWODHQPOTNQFNE-UHFFFAOYSA-N -1 1 277.261 3.292 20 0 CGADMM [O-]c1cc(CN2CCC[C@H](C(F)(F)F)C2)cc(F)c1F ZINC001232970259 818488248 /nfs/dbraw/zinc/48/82/48/818488248.db2.gz DGMPLLVYOKQBLQ-VIFPVBQESA-N -1 1 295.251 3.445 20 0 CGADMM [O-]c1cnc(Cl)cc1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001233032585 818505302 /nfs/dbraw/zinc/50/53/02/818505302.db2.gz MFKWBFMRTDHNBN-SNVBAGLBSA-N -1 1 294.704 3.010 20 0 CGADMM CN(Cc1ccc(Cl)nc1)Cc1cc(Cl)ncc1[O-] ZINC001233037532 818508059 /nfs/dbraw/zinc/50/80/59/818508059.db2.gz CHIIZUHGCHQEDL-UHFFFAOYSA-N -1 1 298.173 3.121 20 0 CGADMM [O-]c1ccc(-c2ccc3cnccc3n2)c(F)c1F ZINC001243341247 823355590 /nfs/dbraw/zinc/35/55/90/823355590.db2.gz HMHYOXNCWBFPGQ-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCCCC[C@H](CCC)Oc1c(=O)[n-]cnc1C(=O)OC ZINC001233760728 818698786 /nfs/dbraw/zinc/69/87/86/818698786.db2.gz XBIABPCNKNXSQW-NSHDSACASA-N -1 1 296.367 3.097 20 0 CGADMM O=C1CCc2cc(-c3ccc([O-])c(F)c3F)ccc2O1 ZINC001243342512 823357101 /nfs/dbraw/zinc/35/71/01/823357101.db2.gz PRZURFBUHQYOHX-UHFFFAOYSA-N -1 1 276.238 3.189 20 0 CGADMM O=c1ccc2cccc(-c3ccc([O-])c(F)c3F)c2o1 ZINC001243342658 823357273 /nfs/dbraw/zinc/35/72/73/823357273.db2.gz NOEIIDHEOJNZNG-UHFFFAOYSA-N -1 1 274.222 3.444 20 0 CGADMM [O-]c1ccc(-c2cncc3cccnc32)c(F)c1F ZINC001243342326 823357362 /nfs/dbraw/zinc/35/73/62/823357362.db2.gz GZUGICVKWXHFFO-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CCOC(=O)c1cc(-c2ccc([O-])c(F)c2F)cnc1F ZINC001243343418 823359713 /nfs/dbraw/zinc/35/97/13/823359713.db2.gz BGJHKMROTHLQKI-UHFFFAOYSA-N -1 1 297.232 3.048 20 0 CGADMM CC[C@@H]1OC(=O)C(Oc2c([O-])cc(Cl)cc2F)=C1C ZINC001234446995 818858039 /nfs/dbraw/zinc/85/80/39/818858039.db2.gz IANBYRHAYJEVMP-JTQLQIEISA-N -1 1 286.686 3.173 20 0 CGADMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@H](C)CCC=C(C)C ZINC001234607219 818891045 /nfs/dbraw/zinc/89/10/45/818891045.db2.gz ZRFVQWYGFPPZQQ-SNVBAGLBSA-N -1 1 297.326 3.227 20 0 CGADMM Cc1cn2c(n1)[C@H](Oc1nc3sccc3[n-]1)CCC2 ZINC001234846976 818932033 /nfs/dbraw/zinc/93/20/33/818932033.db2.gz FVCJYNTXVZQPCV-SNVBAGLBSA-N -1 1 274.349 3.043 20 0 CGADMM CC(=O)[C@@H](Oc1nc2sccc2[n-]1)c1ccccc1 ZINC001234848261 818932248 /nfs/dbraw/zinc/93/22/48/818932248.db2.gz OOZWHNYNOXUVJP-GFCCVEGCSA-N -1 1 272.329 3.334 20 0 CGADMM COc1cc2[nH]cnc2cc1-c1ccc(C=CC(=O)[O-])cc1 ZINC001235532750 819117152 /nfs/dbraw/zinc/11/71/52/819117152.db2.gz YHLHRJXKIXZLOV-QPJJXVBHSA-N -1 1 294.310 3.336 20 0 CGADMM Cc1cc2nc[nH]c2cc1-c1ccc(C(=O)[O-])cc1 ZINC001236060530 819293693 /nfs/dbraw/zinc/29/36/93/819293693.db2.gz JIJHTHMGSPVITF-UHFFFAOYSA-N -1 1 252.273 3.237 20 0 CGADMM Cc1noc(-c2cccnc2-c2c(F)ccc(C)c2[O-])n1 ZINC001236390730 819447133 /nfs/dbraw/zinc/44/71/33/819447133.db2.gz HQLBARRBTQPJRF-UHFFFAOYSA-N -1 1 285.278 3.260 20 0 CGADMM CCOC(=O)c1cc(C)nc(-c2c(F)ccc(C)c2[O-])c1 ZINC001236391437 819447721 /nfs/dbraw/zinc/44/77/21/819447721.db2.gz JBNJDIMKWXYPRC-UHFFFAOYSA-N -1 1 289.306 3.387 20 0 CGADMM Cc1ccc(F)c(-c2ccc(-c3ccccn3)nn2)c1[O-] ZINC001236392620 819448981 /nfs/dbraw/zinc/44/89/81/819448981.db2.gz PYWXMHZGBVBGSL-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM COC(=O)[C@H](C)c1ccc(-c2c(F)ccc(C)c2[O-])nc1 ZINC001236404196 819453539 /nfs/dbraw/zinc/45/35/39/819453539.db2.gz XESDDWREASCIMR-SNVBAGLBSA-N -1 1 289.306 3.178 20 0 CGADMM O=C1OCc2ccc(-c3cc(F)cc(F)c3[O-])cc21 ZINC001243502252 823421892 /nfs/dbraw/zinc/42/18/92/823421892.db2.gz IYUIHXBAOFNHCL-UHFFFAOYSA-N -1 1 262.211 3.008 20 0 CGADMM O=c1cc(-c2cc(F)cc(F)c2[O-])ccn1C1CCC1 ZINC001243503739 823422257 /nfs/dbraw/zinc/42/22/57/823422257.db2.gz GKPURGARXMKWGO-UHFFFAOYSA-N -1 1 277.270 3.224 20 0 CGADMM COc1ncc(-c2cc(F)cc(F)c2[O-])c2cc[nH]c21 ZINC001243504504 823422263 /nfs/dbraw/zinc/42/22/63/823422263.db2.gz PRNGBPMGCHMDMN-UHFFFAOYSA-N -1 1 276.242 3.222 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1ccc2c(c1)OCO2 ZINC001243505600 823423343 /nfs/dbraw/zinc/42/33/43/823423343.db2.gz UVYOCNVHRAHWGN-UHFFFAOYSA-N -1 1 250.200 3.066 20 0 CGADMM COC(=O)c1cc(C)ccc1-c1cc(F)cc(F)c1[O-] ZINC001243506229 823423753 /nfs/dbraw/zinc/42/37/53/823423753.db2.gz RCCAKDAIGZBLQJ-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM [O-]c1cccc(-c2nccc(-c3cccnc3)n2)c1F ZINC001243543178 823436375 /nfs/dbraw/zinc/43/63/75/823436375.db2.gz RCQPDIIUBLGHAX-UHFFFAOYSA-N -1 1 267.263 3.050 20 0 CGADMM [O-]c1cc(F)c(CN2CCC3(CCOC3)CC2)cc1Cl ZINC001238142039 819940250 /nfs/dbraw/zinc/94/02/50/819940250.db2.gz BCFCLYXAOFNCKZ-UHFFFAOYSA-N -1 1 299.773 3.187 20 0 CGADMM CN1C(=O)COc2ccc(-c3ccc(Cl)c([O-])c3)cc21 ZINC001243578842 823452944 /nfs/dbraw/zinc/45/29/44/823452944.db2.gz VGDKKDPTDIARLD-UHFFFAOYSA-N -1 1 289.718 3.068 20 0 CGADMM Cc1ccc2c(ncnc2-c2ccc(Cl)c([O-])c2)n1 ZINC001243579289 823453038 /nfs/dbraw/zinc/45/30/38/823453038.db2.gz SEFAHVBFVUVUJI-UHFFFAOYSA-N -1 1 271.707 3.359 20 0 CGADMM O=C1CCN1c1cccc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243583760 823455347 /nfs/dbraw/zinc/45/53/47/823455347.db2.gz KZRLCDJSHTXXFM-UHFFFAOYSA-N -1 1 273.719 3.449 20 0 CGADMM [O-]c1cc(-c2cc(-c3nn[nH]n3)ccc2F)ccc1Cl ZINC001243584340 823455393 /nfs/dbraw/zinc/45/53/93/823455393.db2.gz NXAKSWCRCHPCCD-UHFFFAOYSA-N -1 1 290.685 3.032 20 0 CGADMM COC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2[O-])n1 ZINC001243605677 823464438 /nfs/dbraw/zinc/46/44/38/823464438.db2.gz VUYZJPLPIHNHAD-UHFFFAOYSA-N -1 1 297.232 3.260 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccccc3OC)ccc2[n-]1 ZINC001239539870 820395669 /nfs/dbraw/zinc/39/56/69/820395669.db2.gz BAWFKRNCXLVAMS-UHFFFAOYSA-N -1 1 296.326 3.415 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccccc3OC)cc2[n-]1 ZINC001239539870 820395681 /nfs/dbraw/zinc/39/56/81/820395681.db2.gz BAWFKRNCXLVAMS-UHFFFAOYSA-N -1 1 296.326 3.415 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(F)ccc3F)cc2[n-]1 ZINC001239712029 820538569 /nfs/dbraw/zinc/53/85/69/820538569.db2.gz LVMACQAIVQLKAG-UHFFFAOYSA-N -1 1 288.253 3.295 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(F)ccc3F)ccc2[n-]1 ZINC001239712029 820538574 /nfs/dbraw/zinc/53/85/74/820538574.db2.gz LVMACQAIVQLKAG-UHFFFAOYSA-N -1 1 288.253 3.295 20 0 CGADMM CCOC(=O)c1nc2cc(-c3ccncc3C)ccc2[n-]1 ZINC001240610651 821186137 /nfs/dbraw/zinc/18/61/37/821186137.db2.gz RQAMVGAZRSXWSZ-UHFFFAOYSA-N -1 1 281.315 3.110 20 0 CGADMM CCOC(=O)c1nc2ccc(-c3ccncc3C)cc2[n-]1 ZINC001240610651 821186143 /nfs/dbraw/zinc/18/61/43/821186143.db2.gz RQAMVGAZRSXWSZ-UHFFFAOYSA-N -1 1 281.315 3.110 20 0 CGADMM C[Si](C)(C)c1cccnc1-c1cc(F)ccc1[O-] ZINC001240693505 821248651 /nfs/dbraw/zinc/24/86/51/821248651.db2.gz DVUUWAFPFUVAPS-UHFFFAOYSA-N -1 1 261.372 3.139 20 0 CGADMM Cc1nc(-c2cccnc2)cc(-c2cc(F)ccc2[O-])n1 ZINC001240695382 821250951 /nfs/dbraw/zinc/25/09/51/821250951.db2.gz IWZLZRSNAZREAC-UHFFFAOYSA-N -1 1 281.290 3.359 20 0 CGADMM [O-]c1ccc(F)cc1-c1cc(OC(F)(F)F)ccn1 ZINC001240696102 821252183 /nfs/dbraw/zinc/25/21/83/821252183.db2.gz ATQYTVDMPZFDRI-UHFFFAOYSA-N -1 1 273.185 3.492 20 0 CGADMM [O-]c1ccc(-c2cc(C(F)(F)F)cnn2)cc1F ZINC001240782365 821321816 /nfs/dbraw/zinc/32/18/16/821321816.db2.gz XLNFCQBICJBYHC-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM [O-]c1ccc(-c2cc(C(F)(F)F)ncn2)cc1F ZINC001240783530 821323946 /nfs/dbraw/zinc/32/39/46/821323946.db2.gz PAAVZVCPXAFOSU-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM [O-]c1ccc(-c2ccnc(C(F)(F)F)n2)cc1F ZINC001240783161 821323965 /nfs/dbraw/zinc/32/39/65/821323965.db2.gz MZZATXSVVAGJKM-UHFFFAOYSA-N -1 1 258.174 3.007 20 0 CGADMM Cc1ccc(-c2ccc(-c3nnn[n-]3)nc2)c2ccccc12 ZINC001241004504 821482948 /nfs/dbraw/zinc/48/29/48/821482948.db2.gz IFJDWLADSUPALR-UHFFFAOYSA-N -1 1 287.326 3.390 20 0 CGADMM Cc1ccc(-c2ccc(-c3nn[n-]n3)nc2)c2ccccc12 ZINC001241004504 821482953 /nfs/dbraw/zinc/48/29/53/821482953.db2.gz IFJDWLADSUPALR-UHFFFAOYSA-N -1 1 287.326 3.390 20 0 CGADMM Cc1ccc(-c2ncc(C)c(NC3CC3)n2)c([O-])c1 ZINC001241028449 821502835 /nfs/dbraw/zinc/50/28/35/821502835.db2.gz NVINOJZNOSECAI-UHFFFAOYSA-N -1 1 255.321 3.040 20 0 CGADMM CC(C)(C)Oc1ccc(-c2c(F)cc([O-])cc2F)nn1 ZINC001241117849 821573342 /nfs/dbraw/zinc/57/33/42/821573342.db2.gz ZUTRTQRGUNFMML-UHFFFAOYSA-N -1 1 280.274 3.305 20 0 CGADMM CSc1nc2[nH]ccc2c(-c2c(F)cc([O-])cc2F)n1 ZINC001241117722 821573415 /nfs/dbraw/zinc/57/34/15/821573415.db2.gz WTOMSNNNCWJUBC-UHFFFAOYSA-N -1 1 293.298 3.282 20 0 CGADMM [O-]c1cc(F)c(-c2ccc(C3CCC3)nn2)c(F)c1 ZINC001241119062 821574093 /nfs/dbraw/zinc/57/40/93/821574093.db2.gz DTDIWDHLIINLQP-UHFFFAOYSA-N -1 1 262.259 3.395 20 0 CGADMM COc1cnc(-c2c(F)cc([O-])cc2F)cc1C ZINC001241119827 821575261 /nfs/dbraw/zinc/57/52/61/821575261.db2.gz SDIWYHKCHSJWIJ-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM CCC(=O)NCc1cccc(-c2c(F)cc([O-])cc2F)c1 ZINC001241121673 821578517 /nfs/dbraw/zinc/57/85/17/821578517.db2.gz APGCOHVPPCWMDH-UHFFFAOYSA-N -1 1 291.297 3.364 20 0 CGADMM [O-]c1cc(F)c(-c2cccc3c2COCC3)c(F)c1 ZINC001241121993 821578812 /nfs/dbraw/zinc/57/88/12/821578812.db2.gz HRRLCGCTVXZJQC-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM CC(=O)Nc1ccc(F)c(-c2c(F)cc([O-])cc2F)c1 ZINC001241122784 821579764 /nfs/dbraw/zinc/57/97/64/821579764.db2.gz LKHZEXNUSUDZFB-UHFFFAOYSA-N -1 1 281.233 3.435 20 0 CGADMM O=C1CCc2c(cccc2-c2c(F)cc([O-])cc2F)N1 ZINC001241122789 821579805 /nfs/dbraw/zinc/57/98/05/821579805.db2.gz LMSPUGONCXUVCM-UHFFFAOYSA-N -1 1 275.254 3.222 20 0 CGADMM COc1ccc2nc(-c3cc([O-])cc(F)c3)ncc2c1 ZINC001241256139 821675773 /nfs/dbraw/zinc/67/57/73/821675773.db2.gz OINRUROYELEBKE-UHFFFAOYSA-N -1 1 270.263 3.150 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc3ccncc3n2)c1F ZINC001241291181 821707561 /nfs/dbraw/zinc/70/75/61/821707561.db2.gz HQZDGOZJEZKUMM-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM CSc1ccnc(-c2c(F)ccc([O-])c2F)c1 ZINC001241290935 821707847 /nfs/dbraw/zinc/70/78/47/821707847.db2.gz XYFFIFZEOPOOMO-UHFFFAOYSA-N -1 1 253.273 3.454 20 0 CGADMM CSc1nc2[nH]ccc2c(-c2c(F)ccc([O-])c2F)n1 ZINC001241290693 821707871 /nfs/dbraw/zinc/70/78/71/821707871.db2.gz BHDOFVILVTYXQB-UHFFFAOYSA-N -1 1 293.298 3.282 20 0 CGADMM Cc1cc2nc[nH]c2cc1-c1cc(F)cc(C(=O)[O-])c1 ZINC001241828301 822166400 /nfs/dbraw/zinc/16/64/00/822166400.db2.gz VHMZBJXTXXSKLL-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM [O-]c1ccc(C(F)(F)F)cc1-c1nccn2ccnc12 ZINC001242141367 822891773 /nfs/dbraw/zinc/89/17/73/822891773.db2.gz LOYPXSLVFKLRDV-UHFFFAOYSA-N -1 1 279.221 3.121 20 0 CGADMM CCc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nn1 ZINC001242152668 822895961 /nfs/dbraw/zinc/89/59/61/822895961.db2.gz IVXVSMYSDUMHPJ-UHFFFAOYSA-N -1 1 268.238 3.430 20 0 CGADMM Cn1ccc2cnc(-c3ccc([O-])c(C(F)(F)F)c3)nc21 ZINC001242151837 822896161 /nfs/dbraw/zinc/89/61/61/822896161.db2.gz VMVSRBPZSFUZKF-UHFFFAOYSA-N -1 1 293.248 3.360 20 0 CGADMM COCc1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151927 822896194 /nfs/dbraw/zinc/89/61/94/822896194.db2.gz ZQNBWIDDOUHYFC-UHFFFAOYSA-N -1 1 284.237 3.014 20 0 CGADMM Cc1c(F)cc(C(=O)[O-])cc1-c1ccc2cncn2c1 ZINC001242209163 822910669 /nfs/dbraw/zinc/91/06/69/822910669.db2.gz NQQQRHGRWOTIQM-UHFFFAOYSA-N -1 1 270.263 3.147 20 0 CGADMM COC(=O)c1ccc(-c2ccc(F)cc2[O-])c(F)c1 ZINC001242217002 822914109 /nfs/dbraw/zinc/91/41/09/822914109.db2.gz GOWWAIPAAHVWDE-UHFFFAOYSA-N -1 1 264.227 3.124 20 0 CGADMM Cc1cc(N2CCCC2)nc(-c2cccc(C)c2[O-])n1 ZINC001242342716 822956779 /nfs/dbraw/zinc/95/67/79/822956779.db2.gz AQFVAWVDRKALPD-UHFFFAOYSA-N -1 1 269.348 3.066 20 0 CGADMM COc1cccc2cnc(-c3cccc(C)c3[O-])nc21 ZINC001242344325 822957354 /nfs/dbraw/zinc/95/73/54/822957354.db2.gz IVZZZKQBBRJUFZ-UHFFFAOYSA-N -1 1 266.300 3.319 20 0 CGADMM COc1cc2cnc(-c3cccc(C)c3[O-])nc2cc1OC ZINC001242344567 822957733 /nfs/dbraw/zinc/95/77/33/822957733.db2.gz ZHLZFRQCRUUKTL-UHFFFAOYSA-N -1 1 296.326 3.328 20 0 CGADMM Cc1c(-c2cccc(Cl)c2[O-])ccc2ncnn21 ZINC001242364820 822968130 /nfs/dbraw/zinc/96/81/30/822968130.db2.gz QOMOEGZMSGGLSQ-UHFFFAOYSA-N -1 1 259.696 3.064 20 0 CGADMM O=C1Cc2ccc(-c3cccc(Cl)c3[O-])cc2N1 ZINC001242365120 822968375 /nfs/dbraw/zinc/96/83/75/822968375.db2.gz WRSOIMWCUYHHCY-UHFFFAOYSA-N -1 1 259.692 3.207 20 0 CGADMM COC(=O)c1ccc(-c2cccc(Cl)c2[O-])c(C)n1 ZINC001242367445 822969550 /nfs/dbraw/zinc/96/95/50/822969550.db2.gz MWBJAAQKMMWOHU-UHFFFAOYSA-N -1 1 277.707 3.203 20 0 CGADMM CC(C)n1ccc(-c2cccc(Cl)c2[O-])cc1=O ZINC001242367441 822969643 /nfs/dbraw/zinc/96/96/43/822969643.db2.gz MTZBDSOAPBVHQH-UHFFFAOYSA-N -1 1 263.724 3.455 20 0 CGADMM O=c1cc(-c2cccc(Cl)c2[O-])ccn1CC1CC1 ZINC001242367699 822969819 /nfs/dbraw/zinc/96/98/19/822969819.db2.gz QGODAUIBCLHOCF-UHFFFAOYSA-N -1 1 275.735 3.284 20 0 CGADMM Cc1nc2cccc(-c3cccc(C(=O)[O-])c3F)c2[nH]1 ZINC001242379950 822974537 /nfs/dbraw/zinc/97/45/37/822974537.db2.gz AOGGWOICRKTQJD-UHFFFAOYSA-N -1 1 270.263 3.376 20 0 CGADMM O=C(NCC[C@H]1CCC(F)(F)C1)c1c([O-])cccc1F ZINC001355401654 937139961 /nfs/dbraw/zinc/13/99/61/937139961.db2.gz DHLWEXMGKGQDTG-SECBINFHSA-N -1 1 287.281 3.087 20 0 CGADMM Cc1nc(SC[C@@H]2CCCC[C@H]2O)[n-]c(=O)c1C1CC1 ZINC001421434785 937246808 /nfs/dbraw/zinc/24/68/08/937246808.db2.gz BPHYBLDDTKTTDZ-NWDGAFQWSA-N -1 1 294.420 3.011 20 0 CGADMM Cc1conc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC001435726182 937265421 /nfs/dbraw/zinc/26/54/21/937265421.db2.gz YZBZNMBFSILKDG-UHFFFAOYSA-N -1 1 272.638 3.167 20 0 CGADMM COc1ccc(C)cc1NC(=O)c1cccc([O-])c1F ZINC001440473406 937330027 /nfs/dbraw/zinc/33/00/27/937330027.db2.gz VHKRUYNUFUVKPW-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM CCOc1c(Cl)cccc1NC(=O)c1ccc([O-])cn1 ZINC001442263073 937341204 /nfs/dbraw/zinc/34/12/04/937341204.db2.gz QFJIIJAFHXDXJQ-UHFFFAOYSA-N -1 1 292.722 3.092 20 0 CGADMM C[C@H]1CCN(C(=O)c2ccc(F)c([O-])c2)CC12CCC2 ZINC001446847263 937365157 /nfs/dbraw/zinc/36/51/57/937365157.db2.gz RAAWGFAFBGKYOJ-NSHDSACASA-N -1 1 277.339 3.184 20 0 CGADMM C[C@@H]1CCC[C@@H](CNC(=O)c2cccc([O-])c2F)[C@H]1C ZINC001448659387 937375657 /nfs/dbraw/zinc/37/56/57/937375657.db2.gz JGZGJOMNKHGBBG-WOPDTQHZSA-N -1 1 279.355 3.333 20 0 CGADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ncccc1F ZINC001448685708 937376839 /nfs/dbraw/zinc/37/68/39/937376839.db2.gz KZSFCJZXVDTLSV-MRVPVSSYSA-N -1 1 294.713 3.071 20 0 CGADMM C[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc(F)c([O-])c1 ZINC001450916301 937387473 /nfs/dbraw/zinc/38/74/73/937387473.db2.gz WODIOBDLHPKXRP-BMIGLBTASA-N -1 1 265.328 3.230 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccoc1Cl ZINC001454752209 937412296 /nfs/dbraw/zinc/41/22/96/937412296.db2.gz DDWXVVGOQGZQPG-UHFFFAOYSA-N -1 1 255.632 3.030 20 0 CGADMM C[C@@H]1CCC[C@@H](C(=O)[N-]Oc2ccccc2F)C1 ZINC001455475682 937417997 /nfs/dbraw/zinc/41/79/97/937417997.db2.gz LGUQZTXBGSIIIN-GHMZBOCLSA-N -1 1 251.301 3.062 20 0 CGADMM C[C@H]1c2ccccc2CCN1C(=O)c1ccc([O-])cc1F ZINC000164477402 932004051 /nfs/dbraw/zinc/00/40/51/932004051.db2.gz BCWXUBNMQJUOJZ-NSHDSACASA-N -1 1 285.318 3.291 20 0 CGADMM Cc1cc([S-])ccc1OC1CCN(CCF)CC1 ZINC001229635169 932182055 /nfs/dbraw/zinc/18/20/55/932182055.db2.gz SIZLCTZSHVGVGZ-UHFFFAOYSA-N -1 1 269.385 3.096 20 0 CGADMM CNc1ccccc1CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001461675761 937591786 /nfs/dbraw/zinc/59/17/86/937591786.db2.gz OSYGMBXYRIMMJX-UHFFFAOYSA-N -1 1 294.358 3.232 20 0 CGADMM COc1c(=O)[n-]c(C)nc1O[C@@H](c1ccccc1)C1CC1 ZINC001230019958 932524032 /nfs/dbraw/zinc/52/40/32/932524032.db2.gz RGGWDNWRMNZCJP-ZDUSSCGKSA-N -1 1 286.331 3.029 20 0 CGADMM CCc1nccc(NCc2ccc([O-])c(Cl)c2)n1 ZINC001307200570 932778253 /nfs/dbraw/zinc/77/82/53/932778253.db2.gz GATMUWCOIMRQRG-UHFFFAOYSA-N -1 1 263.728 3.010 20 0 CGADMM COc1c(C)cccc1CNCc1ccc([O-])c(F)c1F ZINC001462382522 937636817 /nfs/dbraw/zinc/63/68/17/937636817.db2.gz HOIVVSDBZOFRKX-UHFFFAOYSA-N -1 1 293.313 3.277 20 0 CGADMM CCN(C(=O)c1ccc(F)c([O-])c1)C1CCCCC1 ZINC001464069282 937685703 /nfs/dbraw/zinc/68/57/03/937685703.db2.gz ZFFWKLAIUYHMSA-UHFFFAOYSA-N -1 1 265.328 3.326 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)NCCC2CCCCC2)c1 ZINC001464100567 937686422 /nfs/dbraw/zinc/68/64/22/937686422.db2.gz OYNWWOMGOVEFBC-UHFFFAOYSA-N -1 1 289.375 3.213 20 0 CGADMM CC(C)(CNC(=O)c1cccc([O-])c1F)c1cccs1 ZINC001465100993 937697699 /nfs/dbraw/zinc/69/76/99/937697699.db2.gz MNCVWZANVFFMPK-UHFFFAOYSA-N -1 1 293.363 3.300 20 0 CGADMM C[C@@H]1CCC[C@H](CNC(=O)c2c([O-])cccc2F)[C@@H]1C ZINC001467612682 937719474 /nfs/dbraw/zinc/71/94/74/937719474.db2.gz PSZGBDUNYDJCJS-IJLUTSLNSA-N -1 1 279.355 3.333 20 0 CGADMM COc1ccc2cc(NC(=O)c3ccc([O-])cn3)ccc2c1 ZINC001467891421 937723243 /nfs/dbraw/zinc/72/32/43/937723243.db2.gz CRFGEBNJUHSHPE-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM CC(C)Oc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC001468271538 937726483 /nfs/dbraw/zinc/72/64/83/937726483.db2.gz MMKHBMNVKHHXPA-UHFFFAOYSA-N -1 1 299.326 3.001 20 0 CGADMM C/C=C(/C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001321583778 934195669 /nfs/dbraw/zinc/19/56/69/934195669.db2.gz UCNOEAAXNQMGFE-CLTKARDFSA-N -1 1 270.126 3.059 20 0 CGADMM Cc1c[nH]cc1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001321584137 934195259 /nfs/dbraw/zinc/19/52/59/934195259.db2.gz XKGSWZFGZOJHMS-UHFFFAOYSA-N -1 1 295.136 3.044 20 0 CGADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001471891572 937770298 /nfs/dbraw/zinc/77/02/98/937770298.db2.gz NCIHDTFKLAYPPG-ZYHUDNBSSA-N -1 1 285.343 3.169 20 0 CGADMM Cc1cc(C)c(C(=O)Nc2cc(F)c([O-])cc2Cl)[nH]1 ZINC001472193127 937773685 /nfs/dbraw/zinc/77/36/85/937773685.db2.gz MMXZPKKTDMHMHQ-UHFFFAOYSA-N -1 1 282.702 3.382 20 0 CGADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC001472545758 937777186 /nfs/dbraw/zinc/77/71/86/937777186.db2.gz FXLSTSTWIRLFFB-DTWKUNHWSA-N -1 1 282.771 3.451 20 0 CGADMM C[C@@]1(C(=O)Nc2ccc(Br)c([O-])c2)C=CCC1 ZINC001335517148 936149968 /nfs/dbraw/zinc/14/99/68/936149968.db2.gz PIPNQSAUCQODCF-CYBMUJFWSA-N -1 1 296.164 3.450 20 0 CGADMM COc1cncc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC001476947288 937891089 /nfs/dbraw/zinc/89/10/89/937891089.db2.gz CSOCDBFOBCGAFT-UHFFFAOYSA-N -1 1 293.710 3.093 20 0 CGADMM Cc1nocc1[N-]C(=O)c1nc(-c2ccccc2)cs1 ZINC001530369592 938077517 /nfs/dbraw/zinc/07/75/17/938077517.db2.gz GETQIBNDQIQAHK-UHFFFAOYSA-N -1 1 285.328 3.359 20 0 CGADMM CC(C)(C)c1nc(C(=O)[N-]c2cc(C(C)(C)F)on2)co1 ZINC001540234512 938129079 /nfs/dbraw/zinc/12/90/79/938129079.db2.gz KVWPRSIXNADZRN-UHFFFAOYSA-N -1 1 295.314 3.417 20 0 CGADMM Cc1ccc(NC(=O)c2cccc([O-])c2F)cc1C ZINC001540328201 938130126 /nfs/dbraw/zinc/13/01/26/938130126.db2.gz JZEWNJQJBVSTCW-UHFFFAOYSA-N -1 1 259.280 3.400 20 0 CGADMM CC(C)(C)C[C@H](NC(=O)c1cnncc1[O-])c1ccccc1 ZINC001540817832 938134303 /nfs/dbraw/zinc/13/43/03/938134303.db2.gz GMTMQDYWPJGQMV-AWEZNQCLSA-N -1 1 299.374 3.090 20 0 CGADMM O=C(c1ccc([O-])cn1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC001542374985 938135804 /nfs/dbraw/zinc/13/58/04/938135804.db2.gz FXYYRFGCQPIMBT-KRWDZBQOSA-N -1 1 294.354 3.079 20 0 CGADMM CSc1ccc([O-])c(C(=O)Nc2nc(C)c(C)s2)c1 ZINC001542950900 938137583 /nfs/dbraw/zinc/13/75/83/938137583.db2.gz XICVNEORSFQIFF-UHFFFAOYSA-N -1 1 294.401 3.440 20 0 CGADMM CCCCC[C@@H](C)CC(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC001544578369 938145928 /nfs/dbraw/zinc/14/59/28/938145928.db2.gz FSAOPZFOFUTTFO-LLVKDONJSA-N -1 1 295.383 3.131 20 0 CGADMM CCCCC[C@@H](C)CC(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001544578369 938145929 /nfs/dbraw/zinc/14/59/29/938145929.db2.gz FSAOPZFOFUTTFO-LLVKDONJSA-N -1 1 295.383 3.131 20 0 CGADMM Cc1c([N-]C(=O)c2ncc(F)cc2F)noc1C(C)(C)C ZINC001544805063 938147041 /nfs/dbraw/zinc/14/70/41/938147041.db2.gz JWHJHUICNPFTQO-UHFFFAOYSA-N -1 1 295.289 3.206 20 0 CGADMM C[C@H]1CC[C@H](C)N1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001545601398 938150013 /nfs/dbraw/zinc/15/00/13/938150013.db2.gz BZSNINZDOUGDNV-IUCAKERBSA-N -1 1 287.281 3.424 20 0 CGADMM CC(F)(F)c1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC001556659944 938204842 /nfs/dbraw/zinc/20/48/42/938204842.db2.gz ZYDPVJDSYLREHL-UHFFFAOYSA-N -1 1 293.269 3.462 20 0 CGADMM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cccc([O-])c1F ZINC001556847634 938206058 /nfs/dbraw/zinc/20/60/58/938206058.db2.gz MUJPGBIOXYNADN-RYUDHWBXSA-N -1 1 295.354 3.361 20 0 CGADMM CC[C@@H](NC(=O)c1ncc2ccccc2c1[O-])[C@@H]1CC1(C)C ZINC001557078812 938207638 /nfs/dbraw/zinc/20/76/38/938207638.db2.gz JYHKHURFUXFOGA-UONOGXRCSA-N -1 1 298.386 3.495 20 0 CGADMM CC(C)n1cccc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001557087089 938207774 /nfs/dbraw/zinc/20/77/74/938207774.db2.gz SXWUIJWRVVARTA-UHFFFAOYSA-N -1 1 280.274 3.305 20 0 CGADMM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2ccc([O-])cn2)C1 ZINC001557155300 938208176 /nfs/dbraw/zinc/20/81/76/938208176.db2.gz DWXXXJMCJXTESU-OCCSQVGLSA-N -1 1 288.391 3.076 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1ccc2cccnc2c1 ZINC001557408839 938209820 /nfs/dbraw/zinc/20/98/20/938209820.db2.gz AABUYTYSZUDNSY-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC001557609393 938210989 /nfs/dbraw/zinc/21/09/89/938210989.db2.gz OIEVLRZGKBCTNC-FZMZJTMJSA-N -1 1 277.339 3.326 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1ccnc2ccccc21 ZINC001557957928 938212683 /nfs/dbraw/zinc/21/26/83/938212683.db2.gz XDMCGYMKEKKKQC-UHFFFAOYSA-N -1 1 282.274 3.332 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)c1ccoc1Cl ZINC001558209538 938214249 /nfs/dbraw/zinc/21/42/49/938214249.db2.gz SXIGHHLJAILDTK-UHFFFAOYSA-N -1 1 286.114 3.222 20 0 CGADMM CC[C@H](CC(=O)NCCc1c(F)cc([O-])cc1F)C(C)C ZINC001558516412 938215802 /nfs/dbraw/zinc/21/58/02/938215802.db2.gz QPOTVYWMDFIXHD-LLVKDONJSA-N -1 1 299.361 3.401 20 0 CGADMM Cc1cnc(F)cc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001558644441 938216959 /nfs/dbraw/zinc/21/69/59/938216959.db2.gz KSXGLMPFOWEZAW-UHFFFAOYSA-N -1 1 298.676 3.280 20 0 CGADMM O=C(NC[C@@H]1C[C@@H]1Cc1ccccc1)c1c([O-])cccc1F ZINC001558808093 938217984 /nfs/dbraw/zinc/21/79/84/938217984.db2.gz CRGZZNRYXDTTRV-KBPBESRZSA-N -1 1 299.345 3.140 20 0 CGADMM Cc1cc(F)c(CN2CCC[C@H](CCC(=O)[O-])C2)c(F)c1 ZINC001600226261 970778333 /nfs/dbraw/zinc/77/83/33/970778333.db2.gz OIQJRAJXRNNGTK-GFCCVEGCSA-N -1 1 297.345 3.350 20 0 CGADMM COc1cccc(NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC001166419221 958843939 /nfs/dbraw/zinc/84/39/39/958843939.db2.gz VUJBSDANESOGCT-UHFFFAOYSA-N -1 1 294.310 3.201 20 0 CGADMM C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C(=O)[O-])o1 ZINC000235540360 960459090 /nfs/dbraw/zinc/45/90/90/960459090.db2.gz FVPWPEOEIOMXQH-WDEREUQCSA-N -1 1 284.315 3.261 20 0 CGADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2F)C1 ZINC001565660381 960798647 /nfs/dbraw/zinc/79/86/47/960798647.db2.gz VMONSXVUJJEQIQ-NWDGAFQWSA-N -1 1 279.355 3.476 20 0 CGADMM C=Cc1ccc(CCNC(=O)c2cc(F)ccc2[O-])cc1 ZINC001569463458 961781144 /nfs/dbraw/zinc/78/11/44/961781144.db2.gz SNOVXFFJBZONPJ-UHFFFAOYSA-N -1 1 285.318 3.147 20 0 CGADMM Cc1c(NC(=O)c2ccc([O-])cn2)cccc1-c1ncco1 ZINC001569833430 961852826 /nfs/dbraw/zinc/85/28/26/961852826.db2.gz IDPNEKSTZAAIED-UHFFFAOYSA-N -1 1 295.298 3.003 20 0 CGADMM CCc1cccc(N(C)C(=O)c2ccc([O-])c(F)c2)c1 ZINC001570145294 961915922 /nfs/dbraw/zinc/91/59/22/961915922.db2.gz PNGOSFBYQQPGSY-UHFFFAOYSA-N -1 1 273.307 3.370 20 0 CGADMM CC[C@@H](NC(=O)c1cc(C)cc(C=O)c1[O-])[C@@H]1CC1(C)C ZINC001570452801 961969871 /nfs/dbraw/zinc/96/98/71/961969871.db2.gz ZIXCICOGVIOCGW-UONOGXRCSA-N -1 1 289.375 3.068 20 0 CGADMM C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC001570464647 961971492 /nfs/dbraw/zinc/97/14/92/961971492.db2.gz KRNIOVZZBPRQBX-KOLCDFICSA-N -1 1 299.317 3.204 20 0 CGADMM O=C(N[C@H](c1ccccc1)C1CCCC1)c1ncccc1[O-] ZINC001583934102 962868344 /nfs/dbraw/zinc/86/83/44/962868344.db2.gz SZVXCSAKTMOZLJ-MRXNPFEDSA-N -1 1 296.370 3.449 20 0 CGADMM COc1cccc(C(=O)Nc2c([O-])cccc2F)c1C ZINC001583971383 962874927 /nfs/dbraw/zinc/87/49/27/962874927.db2.gz DESRPWLGHJQPKX-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM CCC(NC(=O)c1cccc([O-])c1F)(C1CC1)C1CC1 ZINC001584591882 962939284 /nfs/dbraw/zinc/93/92/84/962939284.db2.gz GUPIMFNLFMIKAY-UHFFFAOYSA-N -1 1 277.339 3.230 20 0 CGADMM Cc1cc(C)cc(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC001585457146 963015199 /nfs/dbraw/zinc/01/51/99/963015199.db2.gz XSIFKGQUNGTLLR-UHFFFAOYSA-N -1 1 291.297 3.217 20 0 CGADMM CC(C)(C)[C@H](NC(=O)c1ccc(F)c([O-])c1)C(F)(F)F ZINC001586627626 963124668 /nfs/dbraw/zinc/12/46/68/963124668.db2.gz XLAHTGQHZSEDFK-NSHDSACASA-N -1 1 293.260 3.238 20 0 CGADMM CC[C@H](N[C@@H]1CCC[C@@H](CCCC(=O)[O-])C1)C(F)F ZINC001595284138 980353678 /nfs/dbraw/zinc/35/36/78/980353678.db2.gz PPIGCTAPFUYLOD-TUAOUCFPSA-N -1 1 277.355 3.433 20 0 CGADMM CC[C@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])[nH]1 ZINC001595499575 981265165 /nfs/dbraw/zinc/26/51/65/981265165.db2.gz MFZAKOZQCRXHAX-HNNXBMFYSA-N -1 1 284.359 3.050 20 0 CGADMM C[C@@H]1CCC[C@H](C)N1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001599906521 984929705 /nfs/dbraw/zinc/92/97/05/984929705.db2.gz AFKMGZWSVKZYSA-PHIMTYICSA-N -1 1 287.363 3.024 20 0 CGADMM C[C@H]1c2ccccc2CN1CCOc1ccccc1C(=O)[O-] ZINC001599937127 985409491 /nfs/dbraw/zinc/40/94/91/985409491.db2.gz QOCIUCINDLCCQK-ZDUSSCGKSA-N -1 1 297.354 3.340 20 0 CGADMM CC(C)(C)C[C@H]1CCN(Cc2ncc(C(=O)[O-])s2)C1 ZINC001589764824 988108925 /nfs/dbraw/zinc/10/89/25/988108925.db2.gz YKXKOAMRYLPGCJ-SNVBAGLBSA-N -1 1 282.409 3.099 20 0 CGADMM CCn1ccc(CN(C)[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001597905067 989792729 /nfs/dbraw/zinc/79/27/29/989792729.db2.gz USRFJAXHORLMHU-LBPRGKRZSA-N -1 1 290.363 3.301 20 0 CGADMM C[C@@H](NCc1oncc1C(=O)[O-])c1cccc(C2CC2)c1 ZINC001593318594 994835900 /nfs/dbraw/zinc/83/59/00/994835900.db2.gz IQJDDHJZARQPCT-SNVBAGLBSA-N -1 1 286.331 3.101 20 0 CGADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC(C2CC2)CC1 ZINC001593731678 996304048 /nfs/dbraw/zinc/30/40/48/996304048.db2.gz HTLDGPNLSXDSOB-SECBINFHSA-N -1 1 280.393 3.024 20 0 CGADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1csc(C(=O)[O-])c1 ZINC001594177375 998688189 /nfs/dbraw/zinc/68/81/89/998688189.db2.gz XASIBNJCDJEJJC-APPZFPTMSA-N -1 1 293.310 3.219 20 0 CGADMM C[C@H]1CCC[C@H](C2CN(Cc3cc(C(=O)[O-])co3)C2)C1 ZINC001594344894 999304712 /nfs/dbraw/zinc/30/47/12/999304712.db2.gz KAQXGWRWMWEJCN-RYUDHWBXSA-N -1 1 277.364 3.236 20 0 CGADMM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])[nH]2)[C@@H]2CCCC[C@@H]12 ZINC001594423946 999585140 /nfs/dbraw/zinc/58/51/40/999585140.db2.gz MEXOLDXVCMTJSE-OSAQELSMSA-N -1 1 276.380 3.114 20 0 CGADMM CC(C)(CNC(=O)c1ccc([O-])cc1F)CC(F)(F)F ZINC000621226824 349477233 /nfs/dbraw/zinc/47/72/33/349477233.db2.gz JBWNBMSUDRCVCY-UHFFFAOYSA-N -1 1 293.260 3.240 20 0 CGADMM CC(C)(C)C1CCC(CNC(=O)c2cncc([O-])c2)CC1 ZINC000622445265 349680130 /nfs/dbraw/zinc/68/01/30/349680130.db2.gz LZVXYQWIYGUVTN-UHFFFAOYSA-N -1 1 290.407 3.370 20 0 CGADMM CCc1cc(=O)[n-]c(SCCc2cccc(F)c2F)n1 ZINC000436248482 529566837 /nfs/dbraw/zinc/56/68/37/529566837.db2.gz SRKIATYFPJTOIY-UHFFFAOYSA-N -1 1 296.342 3.358 20 0 CGADMM CCc1ccc(C(=O)N2CCc3ccc(F)cc32)c([O-])c1 ZINC000436826370 529600781 /nfs/dbraw/zinc/60/07/81/529600781.db2.gz ONHMEKJBNLBIMP-UHFFFAOYSA-N -1 1 285.318 3.297 20 0 CGADMM CC[C@@H](NC(=O)c1ccc2ccccc2c1[O-])[C@@H]1CCCO1 ZINC000436603384 529672097 /nfs/dbraw/zinc/67/20/97/529672097.db2.gz HXQFJPMIJRTQRP-CVEARBPZSA-N -1 1 299.370 3.233 20 0 CGADMM CCCN(C(=O)c1ccc(Cl)cc1[O-])C(C)C ZINC000037096478 344947284 /nfs/dbraw/zinc/94/72/84/344947284.db2.gz PXVQXJXGGFCDLP-UHFFFAOYSA-N -1 1 255.745 3.306 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N(CC1CC1)CC1CC1 ZINC000070505955 345391329 /nfs/dbraw/zinc/39/13/29/345391329.db2.gz FWLOJLKTWKTEDS-UHFFFAOYSA-N -1 1 279.767 3.308 20 0 CGADMM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1cccc(F)c1 ZINC000091780266 345823240 /nfs/dbraw/zinc/82/32/40/345823240.db2.gz WBFGOYSOELEDQL-JTQLQIEISA-N -1 1 277.295 3.310 20 0 CGADMM CC(C)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000094155228 345896658 /nfs/dbraw/zinc/89/66/58/345896658.db2.gz WMEYUHWLVRDMNO-ZDUSSCGKSA-N -1 1 265.328 3.182 20 0 CGADMM CC(C)c1ccc2nc(-c3ccoc3)[n-]c(=O)c2c1 ZINC000105507399 345928632 /nfs/dbraw/zinc/92/86/32/345928632.db2.gz XTPBPAGKVPOPTC-UHFFFAOYSA-N -1 1 254.289 3.307 20 0 CGADMM CCN(Cc1ccoc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000102289815 345915220 /nfs/dbraw/zinc/91/52/20/345915220.db2.gz AADUDHLPPSBFFF-UHFFFAOYSA-N -1 1 279.723 3.301 20 0 CGADMM CSCc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000109245380 345941190 /nfs/dbraw/zinc/94/11/90/345941190.db2.gz JIVJXNBNYGUERM-UHFFFAOYSA-N -1 1 293.413 3.350 20 0 CGADMM Cc1sc(C(=O)[O-])cc1C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000133104024 346075299 /nfs/dbraw/zinc/07/52/99/346075299.db2.gz KSECHHRFINDURB-DTWKUNHWSA-N -1 1 285.434 3.081 20 0 CGADMM O=C([O-])C[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2)C1 ZINC000161385503 346175261 /nfs/dbraw/zinc/17/52/61/346175261.db2.gz YDWJCXHDYUWNIT-JTQLQIEISA-N -1 1 285.746 3.166 20 0 CGADMM Cc1cnccc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000189338192 232462083 /nfs/dbraw/zinc/46/20/83/232462083.db2.gz UAMMOAXVDGQYBO-UHFFFAOYSA-N -1 1 292.338 3.179 20 0 CGADMM CSCC1(CC(=O)Nc2ccc(F)cc2[O-])CC1 ZINC000593556454 347091277 /nfs/dbraw/zinc/09/12/77/347091277.db2.gz JTCFJUSQYMXOIA-UHFFFAOYSA-N -1 1 269.341 3.003 20 0 CGADMM CCCc1[n-]n(-c2cccc(C(=O)OC)c2)c(=O)c1CC ZINC000601946029 347927759 /nfs/dbraw/zinc/92/77/59/347927759.db2.gz XTLIOBQCUKMDPP-ZDUSSCGKSA-N -1 1 288.347 3.002 20 0 CGADMM O=C(Nc1c([O-])cccc1F)c1cc(F)ccc1F ZINC000605439967 348156045 /nfs/dbraw/zinc/15/60/45/348156045.db2.gz ZCHDNHAGOVLZNA-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccsc2)c(C)c1 ZINC000608005160 348277364 /nfs/dbraw/zinc/27/73/64/348277364.db2.gz YHNGPBXKUKXRQG-UHFFFAOYSA-N -1 1 297.401 3.174 20 0 CGADMM C[C@@H](N(C)C(=O)c1ncc2ccccc2c1[O-])C1(C)CC1 ZINC000612084177 348492532 /nfs/dbraw/zinc/49/25/32/348492532.db2.gz HJBQZUPMTJLBOL-LLVKDONJSA-N -1 1 284.359 3.201 20 0 CGADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCc1ccc(Cl)cc1 ZINC000615227931 348724992 /nfs/dbraw/zinc/72/49/92/348724992.db2.gz SUHRZTWOTZIJHN-UHFFFAOYSA-N -1 1 293.754 3.039 20 0 CGADMM CC(F)(F)CCCNC(=O)c1ncc2ccccc2c1[O-] ZINC000615456796 348741083 /nfs/dbraw/zinc/74/10/83/348741083.db2.gz CQHGXHWLGHDOMW-UHFFFAOYSA-N -1 1 294.301 3.106 20 0 CGADMM COC1CC(CCNC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000617025839 348900935 /nfs/dbraw/zinc/90/09/35/348900935.db2.gz XKDXCYPAPFPFES-UHFFFAOYSA-N -1 1 299.370 3.090 20 0 CGADMM CC[C@H](C)CCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000617633471 348989258 /nfs/dbraw/zinc/98/92/58/348989258.db2.gz CCUDJOAJVCGCPU-VIFPVBQESA-N -1 1 285.771 3.220 20 0 CGADMM CC(C)[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1F ZINC000617994211 349035071 /nfs/dbraw/zinc/03/50/71/349035071.db2.gz HYJQKXQQCYAEJO-HNNXBMFYSA-N -1 1 288.322 3.053 20 0 CGADMM C[C@@]1(CNC(=O)c2ccc3ccccc3c2[O-])CC1(F)F ZINC000618604019 349119316 /nfs/dbraw/zinc/11/93/16/349119316.db2.gz OMTJOIMSYSYBPD-HNNXBMFYSA-N -1 1 291.297 3.321 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1F)C1CCC(F)CC1 ZINC000619955838 349296685 /nfs/dbraw/zinc/29/66/85/349296685.db2.gz PSFQSLCWWDYKRW-WHXUTIOJSA-N -1 1 283.318 3.178 20 0 CGADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)C1CCC(F)CC1 ZINC000619956047 349296924 /nfs/dbraw/zinc/29/69/24/349296924.db2.gz VQUNCQMFKNSAEI-BMQDGWLCSA-N -1 1 283.318 3.178 20 0 CGADMM CN(C[C@@H]1CCc2ccccc21)C(=O)c1ccc([O-])c(F)c1 ZINC000620686604 349411340 /nfs/dbraw/zinc/41/13/40/349411340.db2.gz HOHDNEXKXKVVGN-AWEZNQCLSA-N -1 1 299.345 3.333 20 0 CGADMM O=C(c1ncccc1[O-])N1CCC[C@@H](C2CCCCC2)C1 ZINC000620689391 349412494 /nfs/dbraw/zinc/41/24/94/349412494.db2.gz NBPTVHXEWQXVDN-CQSZACIVSA-N -1 1 288.391 3.220 20 0 CGADMM Oc1ccc(Cl)c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000625096189 350127893 /nfs/dbraw/zinc/12/78/93/350127893.db2.gz MCFRZAUMJAVDPV-NSHDSACASA-N -1 1 291.782 3.148 20 0 CGADMM CCSCC[C@@H](C)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000271360426 191095181 /nfs/dbraw/zinc/09/51/81/191095181.db2.gz IRKIIXHTJHJWSV-SNVBAGLBSA-N -1 1 285.384 3.135 20 0 CGADMM CCc1nc(SC[C@@H]2C[C@H]3C=C[C@@H]2C3)[n-]c(=O)c1C ZINC000629184673 350665031 /nfs/dbraw/zinc/66/50/31/350665031.db2.gz ROKGYPPILOCYRO-TUAOUCFPSA-N -1 1 276.405 3.357 20 0 CGADMM O=C(CC1CCCCC1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629371928 350681656 /nfs/dbraw/zinc/68/16/56/350681656.db2.gz BPMBEOOOMVLHLU-UHFFFAOYSA-N -1 1 299.374 3.487 20 0 CGADMM C/C=C\C[C@@H]1CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000629872935 350781139 /nfs/dbraw/zinc/78/11/39/350781139.db2.gz NXGAHXLLKSLWIW-ZZKXABKFSA-N -1 1 277.339 3.350 20 0 CGADMM C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000630435335 350840014 /nfs/dbraw/zinc/84/00/14/350840014.db2.gz LFIPRJSOELSIPQ-MFKMUULPSA-N -1 1 281.783 3.283 20 0 CGADMM Cc1scc(CN=c2[n-]ncn2Cc2ccccc2)c1C ZINC000630953086 350915093 /nfs/dbraw/zinc/91/50/93/350915093.db2.gz BUMWJAYXONNWIP-UHFFFAOYSA-N -1 1 298.415 3.039 20 0 CGADMM Cc1nc(SCCOC2CCCC2)[n-]c(=O)c1C1CC1 ZINC000631023467 350926799 /nfs/dbraw/zinc/92/67/99/350926799.db2.gz SDSPTGXZGFRNFX-UHFFFAOYSA-N -1 1 294.420 3.419 20 0 CGADMM CO[C@H]1CCC[C@@H]1Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631024528 350927855 /nfs/dbraw/zinc/92/78/55/350927855.db2.gz VIEJJYRYTRBAMD-QWRGUYRKSA-N -1 1 280.393 3.028 20 0 CGADMM CC(=O)CCCCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631026013 350928564 /nfs/dbraw/zinc/92/85/64/350928564.db2.gz YVHXDFSZNWJUHB-UHFFFAOYSA-N -1 1 280.393 3.219 20 0 CGADMM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632039306 351161341 /nfs/dbraw/zinc/16/13/41/351161341.db2.gz ZWRPOBSUJBGJAR-DTWKUNHWSA-N -1 1 295.351 3.320 20 0 CGADMM CCN(CCC1CC1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632465310 351199955 /nfs/dbraw/zinc/19/99/55/351199955.db2.gz ARBAEQWYZYYUEX-UHFFFAOYSA-N -1 1 281.783 3.237 20 0 CGADMM C[C@H](CC(F)(F)F)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632495540 351201294 /nfs/dbraw/zinc/20/12/94/351201294.db2.gz XCTUYJRMYRLUFM-SSDOTTSWSA-N -1 1 295.688 3.045 20 0 CGADMM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632547315 351204321 /nfs/dbraw/zinc/20/43/21/351204321.db2.gz HBLQYXVHDSGNEU-MRVPVSSYSA-N -1 1 295.351 3.320 20 0 CGADMM O=C(Nc1ccc([O-])c(F)c1F)C1(C(F)F)CCC1 ZINC000633360181 351285116 /nfs/dbraw/zinc/28/51/16/351285116.db2.gz AAEHLMVJOGQUSS-UHFFFAOYSA-N -1 1 277.217 3.044 20 0 CGADMM C[C@@H]1[C@H](C)CN(C(=O)Cc2ccc([O-])c(Cl)c2)[C@H]1C ZINC000633465064 351308770 /nfs/dbraw/zinc/30/87/70/351308770.db2.gz YUSYARMMEYULAS-MXWKQRLJSA-N -1 1 281.783 3.091 20 0 CGADMM CCC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCCC1 ZINC000633276722 351273001 /nfs/dbraw/zinc/27/30/01/351273001.db2.gz JHDBOMBGDMLACL-UHFFFAOYSA-N -1 1 281.783 3.427 20 0 CGADMM C[C@H]1CCc2[n-]n(-c3ccccc3C(F)(F)F)c(=O)c21 ZINC000634584438 351523894 /nfs/dbraw/zinc/52/38/94/351523894.db2.gz BVZFOKVQDOYOLZ-QPUJVOFHSA-N -1 1 282.265 3.454 20 0 CGADMM CCc1c(=O)n(Cc2cc(F)ccc2F)[n-]c1C(C)C ZINC000634596651 351532918 /nfs/dbraw/zinc/53/29/18/351532918.db2.gz MGGKCRQOOQFZFT-GFCCVEGCSA-N -1 1 280.318 3.345 20 0 CGADMM Cc1[n-]n(-c2ccccc2OC(F)(F)F)c(=O)c1C1CC1 ZINC000634614851 351543120 /nfs/dbraw/zinc/54/31/20/351543120.db2.gz QCFUQHINGKDGPB-LBPRGKRZSA-N -1 1 298.264 3.334 20 0 CGADMM CCCc1c(C)[n-]n(-c2ccc(OC)c(Cl)c2)c1=O ZINC000634614903 351543995 /nfs/dbraw/zinc/54/39/95/351543995.db2.gz RNGGUNAHBJHMAY-NSHDSACASA-N -1 1 280.755 3.487 20 0 CGADMM CCCc1[nH]n(-c2cccc(C(=O)[O-])c2C)c(=O)c1CC ZINC000634633270 351554526 /nfs/dbraw/zinc/55/45/26/351554526.db2.gz PXRMZQDRTUNKTD-LLVKDONJSA-N -1 1 288.347 3.222 20 0 CGADMM CN(Cc1c(Cl)cccc1Cl)[C@H](C(=O)[O-])C1CC1 ZINC000635016050 351631914 /nfs/dbraw/zinc/63/19/14/351631914.db2.gz UTJUTURYLCECHT-LBPRGKRZSA-N -1 1 288.174 3.288 20 0 CGADMM Cc1ccc([C@H]2CCCN2C(=O)c2cncc([O-])c2)cc1 ZINC000339885255 215378565 /nfs/dbraw/zinc/37/85/65/215378565.db2.gz QLUNSFDPUUBJLW-MRXNPFEDSA-N -1 1 282.343 3.073 20 0 CGADMM O=C(Nc1ccccc1CC(F)(F)F)c1cncc([O-])c1 ZINC000339902455 215387283 /nfs/dbraw/zinc/38/72/83/215387283.db2.gz YUSYFNGTIGRBGT-UHFFFAOYSA-N -1 1 296.248 3.144 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1C[C@H]2CCCC[C@H]21 ZINC000367747878 234249034 /nfs/dbraw/zinc/24/90/34/234249034.db2.gz WTCVBJIIUWGEGB-BXKDBHETSA-N -1 1 265.740 3.060 20 0 CGADMM CC(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)s1 ZINC000336440424 213304040 /nfs/dbraw/zinc/30/40/40/213304040.db2.gz MAAQSZUHRCLGMS-UHFFFAOYSA-N -1 1 279.292 3.048 20 0 CGADMM CCc1nc(C)c(NC(=O)c2c(F)ccc([O-])c2F)s1 ZINC000336361097 213211492 /nfs/dbraw/zinc/21/14/92/213211492.db2.gz GWNGVHDHYIPJHL-UHFFFAOYSA-N -1 1 298.314 3.250 20 0 CGADMM CCC(CC)c1noc(-c2cc(NC(C)=O)ccc2[O-])n1 ZINC000273795248 192310609 /nfs/dbraw/zinc/31/06/09/192310609.db2.gz HIMNHTNNYNPERJ-UHFFFAOYSA-N -1 1 289.335 3.304 20 0 CGADMM O=C(Nc1nc(C2CC2)cs1)c1c(F)ccc([O-])c1F ZINC000336324823 213170648 /nfs/dbraw/zinc/17/06/48/213170648.db2.gz RFDODCDJGLVUOQ-UHFFFAOYSA-N -1 1 296.298 3.257 20 0 CGADMM Cc1ccsc1CN[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000426713340 236306836 /nfs/dbraw/zinc/30/68/36/236306836.db2.gz FBXNRYIKVPNYQR-CQSZACIVSA-N -1 1 275.373 3.280 20 0 CGADMM C[C@@H]1C[C@H]1c1ccc(CN[C@@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000263437486 138572070 /nfs/dbraw/zinc/57/20/70/138572070.db2.gz VCWMOULJGJBGLF-WQVCFCJDSA-N -1 1 299.370 3.189 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](CC2CC2)C1 ZINC000436720655 237168170 /nfs/dbraw/zinc/16/81/70/237168170.db2.gz GKUJEASJSOKRDB-NSHDSACASA-N -1 1 279.767 3.308 20 0 CGADMM O=C(N[C@H]1CC[C@@H](F)C1)c1ccc2ccccc2c1[O-] ZINC000436743585 237169390 /nfs/dbraw/zinc/16/93/90/237169390.db2.gz HOGFICYJNDCBIY-NEPJUHHUSA-N -1 1 273.307 3.166 20 0 CGADMM O=C(N[C@@H]1CCC[C@@H]1F)c1cc2ccccc2cc1[O-] ZINC000436775876 237179438 /nfs/dbraw/zinc/17/94/38/237179438.db2.gz SBKVCPQROUGXAB-UONOGXRCSA-N -1 1 273.307 3.166 20 0 CGADMM C[C@H](CNC(=O)c1c([O-])cccc1F)c1ccc(F)cc1 ZINC000436947770 237218731 /nfs/dbraw/zinc/21/87/31/237218731.db2.gz UMWMEKVWFLMOLP-SNVBAGLBSA-N -1 1 291.297 3.204 20 0 CGADMM O=C(NCc1ccc(C(F)F)cc1)c1c([O-])cccc1F ZINC000436988338 237226396 /nfs/dbraw/zinc/22/63/96/237226396.db2.gz LUJFJXLTTODSMF-UHFFFAOYSA-N -1 1 295.260 3.399 20 0 CGADMM CCC1(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000301536169 201053392 /nfs/dbraw/zinc/05/33/92/201053392.db2.gz IYTVGYAJCNULMD-UHFFFAOYSA-N -1 1 298.390 3.463 20 0 CGADMM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451173752 240237119 /nfs/dbraw/zinc/23/71/19/240237119.db2.gz UDTSVEAVKAPONU-CABZTGNLSA-N -1 1 297.351 3.039 20 0 CGADMM C[C@H]1CCN(Cc2cc(F)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000335537826 212235547 /nfs/dbraw/zinc/23/55/47/212235547.db2.gz DYPJPLJMLSNOSM-JOYOIKCWSA-N -1 1 285.746 3.022 20 0 CGADMM CCCCN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000019838862 368770192 /nfs/dbraw/zinc/77/01/92/368770192.db2.gz NVPFCFINMYWCLE-UHFFFAOYSA-N -1 1 257.333 3.418 20 0 CGADMM C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000019837084 368770617 /nfs/dbraw/zinc/77/06/17/368770617.db2.gz CULSMYJYKNTJLT-SECBINFHSA-N -1 1 253.729 3.060 20 0 CGADMM CN(C(=O)c1cc2ccccc2cc1[O-])[C@H]1CCSC1 ZINC000036819336 369031516 /nfs/dbraw/zinc/03/15/16/369031516.db2.gz XQNBOWYQCMEFJT-ZDUSSCGKSA-N -1 1 287.384 3.123 20 0 CGADMM CC(C)(C)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000040494921 369156891 /nfs/dbraw/zinc/15/68/91/369156891.db2.gz APEZBJWQMCMTLM-UHFFFAOYSA-N -1 1 257.333 3.321 20 0 CGADMM O=C(/C=C\C1CCCC1)Nc1ccc([O-])c(F)c1F ZINC000493265448 244128877 /nfs/dbraw/zinc/12/88/77/244128877.db2.gz GWOGLUJYWKTRRB-YVMONPNESA-N -1 1 267.275 3.355 20 0 CGADMM Cc1cnc(C(=O)N2CCC(C)(CC(C)C)CC2)c([O-])c1 ZINC000494724921 244314865 /nfs/dbraw/zinc/31/48/65/244314865.db2.gz CJWSJSUCIWJMGK-UHFFFAOYSA-N -1 1 290.407 3.384 20 0 CGADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000075910743 369921158 /nfs/dbraw/zinc/92/11/58/369921158.db2.gz QHDFJXMBDZCFLX-SNVBAGLBSA-N -1 1 259.280 3.022 20 0 CGADMM CCOC(=O)[C@H](NCc1cccc([O-])c1Cl)[C@H](C)CC ZINC000513137752 245065826 /nfs/dbraw/zinc/06/58/26/245065826.db2.gz AOAXQHKWOGSHGK-QMTHXVAHSA-N -1 1 299.798 3.113 20 0 CGADMM CC(C)(C)[C@H]1CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000513328677 245073441 /nfs/dbraw/zinc/07/34/41/245073441.db2.gz CPZJOIWPQMQGMZ-CYBMUJFWSA-N -1 1 283.799 3.293 20 0 CGADMM CC(C)Oc1cccc(-c2nc3ccccc3c(=O)[n-]2)c1 ZINC000138220749 371502984 /nfs/dbraw/zinc/50/29/84/371502984.db2.gz CPOQCYPZUFLEFW-UHFFFAOYSA-N -1 1 280.327 3.377 20 0 CGADMM Cc1cc(NCc2cccc([O-])c2Cl)nn1C(C)C ZINC000422120228 371733269 /nfs/dbraw/zinc/73/32/69/371733269.db2.gz MLYBOPSCNKILOF-UHFFFAOYSA-N -1 1 279.771 3.165 20 0 CGADMM Cc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000153530360 371773874 /nfs/dbraw/zinc/77/38/74/371773874.db2.gz RGRUTTFKVGPDQH-UHFFFAOYSA-N -1 1 262.696 3.001 20 0 CGADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC000154189326 371826848 /nfs/dbraw/zinc/82/68/48/371826848.db2.gz JLSLHOAPEDLQOY-UHFFFAOYSA-N -1 1 289.335 3.398 20 0 CGADMM O=C(NCCc1ccccc1Cl)c1ccc([O-])cc1F ZINC000154832635 371882865 /nfs/dbraw/zinc/88/28/65/371882865.db2.gz OMSMHHYXQJUNPV-UHFFFAOYSA-N -1 1 293.725 3.157 20 0 CGADMM Cc1cscc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000161637468 372342301 /nfs/dbraw/zinc/34/23/01/372342301.db2.gz JFTATMYTFAKIFP-UHFFFAOYSA-N -1 1 267.375 3.166 20 0 CGADMM C[C@H](NCc1cccc([O-])c1Cl)C(=O)OC1CCCC1 ZINC000293719262 372461771 /nfs/dbraw/zinc/46/17/71/372461771.db2.gz YJBSXVDGJGQRJS-JTQLQIEISA-N -1 1 297.782 3.010 20 0 CGADMM O=C(c1cncc([O-])c1)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000293803532 372486776 /nfs/dbraw/zinc/48/67/76/372486776.db2.gz BWXJTQVSSNDHGR-MRXNPFEDSA-N -1 1 294.354 3.155 20 0 CGADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000432204939 372547147 /nfs/dbraw/zinc/54/71/47/372547147.db2.gz VXQYCGBHDFDHDS-UHFFFAOYSA-N -1 1 297.326 3.382 20 0 CGADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)s1 ZINC000295326338 372739891 /nfs/dbraw/zinc/73/98/91/372739891.db2.gz ORZJRILMBSYASG-UHFFFAOYSA-N -1 1 299.421 3.012 20 0 CGADMM CCc1occc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000438234363 372916958 /nfs/dbraw/zinc/91/69/58/372916958.db2.gz IGESZBTXYFCYLM-UHFFFAOYSA-N -1 1 297.314 3.190 20 0 CGADMM CCOc1cc(C(=O)N[C@@H]2CC[C@H](C)C2)cc(Cl)c1[O-] ZINC000444463678 373192718 /nfs/dbraw/zinc/19/27/18/373192718.db2.gz HICGVRAEECBYCH-GXSJLCMTSA-N -1 1 297.782 3.363 20 0 CGADMM CC[C@H](C)[C@@H](NC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000444562309 373200401 /nfs/dbraw/zinc/20/04/01/373200401.db2.gz UBXRSXNTYCNOHF-WRWORJQWSA-N -1 1 293.260 3.238 20 0 CGADMM C[C@@H]1CC[C@H](NC(=O)c2ccc([O-])cc2F)C[C@H]1C ZINC000300418737 373634072 /nfs/dbraw/zinc/63/40/72/373634072.db2.gz BDTKZMOYZWOHGR-MXWKQRLJSA-N -1 1 265.328 3.086 20 0 CGADMM [O-]c1cccc(CNCc2cnc(C3CC3)o2)c1Cl ZINC000449706692 373849596 /nfs/dbraw/zinc/84/95/96/373849596.db2.gz OFHGTTIBDLQCQQ-UHFFFAOYSA-N -1 1 278.739 3.201 20 0 CGADMM CCc1nsc([N-]c2cnn([C@H](C)C3CC3)c2)n1 ZINC000302354630 373856474 /nfs/dbraw/zinc/85/64/74/373856474.db2.gz CCXMUJPLZSEHGX-MRVPVSSYSA-N -1 1 263.370 3.012 20 0 CGADMM O=C(Nc1ccc(-c2cnco2)cc1)c1ccc(O)cc1[O-] ZINC000179438584 373871911 /nfs/dbraw/zinc/87/19/11/373871911.db2.gz NOTFPEOYLAIWDV-UHFFFAOYSA-N -1 1 296.282 3.005 20 0 CGADMM Cc1cccc([N-]S(=O)(=O)c2ccccc2F)c1F ZINC000180022440 373953957 /nfs/dbraw/zinc/95/39/57/373953957.db2.gz FOGUDZTUDVWCLZ-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM O=C(Nc1cccc(O)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000182003715 374202276 /nfs/dbraw/zinc/20/22/76/374202276.db2.gz HQCOBKUMLYMJGX-UHFFFAOYSA-N -1 1 297.232 3.369 20 0 CGADMM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000311343668 374238526 /nfs/dbraw/zinc/23/85/26/374238526.db2.gz JHCROPNRIXQZDS-WDEREUQCSA-N -1 1 265.328 3.182 20 0 CGADMM CCN(C(=O)c1ccc(O)cc1[O-])c1cccc(Cl)c1 ZINC000334197868 206179250 /nfs/dbraw/zinc/17/92/50/206179250.db2.gz NYKRHEBGSSJYHN-UHFFFAOYSA-N -1 1 291.734 3.418 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1c[nH]c(C(F)(F)F)c1 ZINC000334228856 206224685 /nfs/dbraw/zinc/22/46/85/206224685.db2.gz PAVIEUXOZHQOJX-UHFFFAOYSA-N -1 1 288.200 3.131 20 0 CGADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc([O-])c(F)c1F ZINC000456786294 374623335 /nfs/dbraw/zinc/62/33/35/374623335.db2.gz OJKQULPDJQGQAX-DTWKUNHWSA-N -1 1 269.291 3.435 20 0 CGADMM CC(C)(CC(=O)Nc1ccc([O-])c(F)c1F)C1CC1 ZINC000456791557 374625082 /nfs/dbraw/zinc/62/50/82/374625082.db2.gz YNKZDTXTSBSFFB-UHFFFAOYSA-N -1 1 269.291 3.435 20 0 CGADMM COc1cc(C(=O)N2CC[C@H]3CCC[C@@H]32)cc(Cl)c1[O-] ZINC000334379856 374699271 /nfs/dbraw/zinc/69/92/71/374699271.db2.gz ICBKKVFKTJUMOG-SKDRFNHKSA-N -1 1 295.766 3.069 20 0 CGADMM O=C(Nc1ccc(F)cc1[O-])c1cnc(C2CC2)s1 ZINC000334234766 374659987 /nfs/dbraw/zinc/65/99/87/374659987.db2.gz GSFZGDMFCSHSMM-UHFFFAOYSA-N -1 1 278.308 3.118 20 0 CGADMM [O-]c1cccc(CN2CCC[C@@H]2c2ncc[nH]2)c1Cl ZINC000334494509 374792048 /nfs/dbraw/zinc/79/20/48/374792048.db2.gz RCSSWOJJRAYJKY-LLVKDONJSA-N -1 1 277.755 3.106 20 0 CGADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1F ZINC000186904329 374936508 /nfs/dbraw/zinc/93/65/08/374936508.db2.gz FMENTBHYQNDRKT-UHFFFAOYSA-N -1 1 283.299 3.074 20 0 CGADMM COC(=O)c1c[n-]c(S[C@@H](C)c2cccc(F)c2)n1 ZINC000187587931 375050281 /nfs/dbraw/zinc/05/02/81/375050281.db2.gz WQWLRDPCLJWAHA-QMMMGPOBSA-N -1 1 280.324 3.189 20 0 CGADMM COC(=O)c1c[n-]c(S[C@H]2CCCc3ccccc32)n1 ZINC000187591772 375050367 /nfs/dbraw/zinc/05/03/67/375050367.db2.gz VTROUSCONDOFGK-ZDUSSCGKSA-N -1 1 288.372 3.366 20 0 CGADMM COc1cc(C(=O)N2CC(C(C)(C)C)C2)cc(Cl)c1[O-] ZINC000335091099 375123465 /nfs/dbraw/zinc/12/34/65/375123465.db2.gz DXBNXYDNQKEMCN-UHFFFAOYSA-N -1 1 297.782 3.172 20 0 CGADMM O=C(c1ncccc1[O-])N1CCCC2(CCCCC2)CC1 ZINC000188791514 375270177 /nfs/dbraw/zinc/27/01/77/375270177.db2.gz UKSANOYNIUWJFZ-UHFFFAOYSA-N -1 1 288.391 3.364 20 0 CGADMM C[C@@H](c1nc(-c2ccc([O-])cc2F)no1)C(F)(F)F ZINC000335685950 375345657 /nfs/dbraw/zinc/34/56/57/375345657.db2.gz PUGMNKNMRIHUSV-YFKPBYRVSA-N -1 1 276.189 3.247 20 0 CGADMM Cc1cc2c([nH]c(-c3ccc([O-])cc3Cl)nc2=O)s1 ZINC000190098141 375478036 /nfs/dbraw/zinc/47/80/36/375478036.db2.gz WHTGREJZLKUWPW-UHFFFAOYSA-N -1 1 292.747 3.319 20 0 CGADMM CC[C@@H]1C[C@H]1NC(=O)c1cc2ccccc2cc1[O-] ZINC000227034093 376379046 /nfs/dbraw/zinc/37/90/46/376379046.db2.gz PGXWMQQZEKZZAD-QMTHXVAHSA-N -1 1 255.317 3.074 20 0 CGADMM O=C(NC[C@H]1CCSC1)c1cc2ccccc2cc1[O-] ZINC000228578355 376442531 /nfs/dbraw/zinc/44/25/31/376442531.db2.gz MTOLHWVQKOARIS-LLVKDONJSA-N -1 1 287.384 3.028 20 0 CGADMM Cc1ccsc1CN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000338740327 376509227 /nfs/dbraw/zinc/50/92/27/376509227.db2.gz AJEQSWKXMJSHNT-UHFFFAOYSA-N -1 1 297.326 3.313 20 0 CGADMM C[C@H]1CCCCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000334337772 206391818 /nfs/dbraw/zinc/39/18/18/206391818.db2.gz WOTRTDDLUBKSFF-JTQLQIEISA-N -1 1 277.393 3.161 20 0 CGADMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(C)o1 ZINC000339130526 376696052 /nfs/dbraw/zinc/69/60/52/376696052.db2.gz XZBXQVWFOYHFNQ-UHFFFAOYSA-N -1 1 297.314 3.244 20 0 CGADMM Cc1cccc(C)c1NCC(=O)Nc1ccc(F)cc1[O-] ZINC000340327693 377001600 /nfs/dbraw/zinc/00/16/00/377001600.db2.gz KDBUGJAZNYAJFW-UHFFFAOYSA-N -1 1 288.322 3.199 20 0 CGADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(F)cc1[O-] ZINC000340329790 377004978 /nfs/dbraw/zinc/00/49/78/377004978.db2.gz GOUZXBHEADSBAJ-YGRLFVJLSA-N -1 1 281.327 3.065 20 0 CGADMM COc1cc(F)c(NC(=O)c2cc(F)ccc2[O-])cc1F ZINC000092600296 249033976 /nfs/dbraw/zinc/03/39/76/249033976.db2.gz RPPIZFVCMMMGTM-UHFFFAOYSA-N -1 1 297.232 3.070 20 0 CGADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccccc1)C1CC1 ZINC000093913048 249038723 /nfs/dbraw/zinc/03/87/23/249038723.db2.gz XZTVCTBKFTUNQX-UHFFFAOYSA-N -1 1 285.318 3.336 20 0 CGADMM CCOc1cc(C)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094020267 249039392 /nfs/dbraw/zinc/03/93/92/249039392.db2.gz OPNJSRFOYIMFEL-UHFFFAOYSA-N -1 1 289.306 3.491 20 0 CGADMM O=C([O-])C[C@H]1CCCCN1Cc1ccc(F)c(Cl)c1 ZINC000164533389 542171978 /nfs/dbraw/zinc/17/19/78/542171978.db2.gz MBYMUZSMJASFOP-LLVKDONJSA-N -1 1 285.746 3.308 20 0 CGADMM C[C@H](CC(=O)[O-])N(C)Cc1nc(C2CCCCC2)cs1 ZINC000574412633 377659552 /nfs/dbraw/zinc/65/95/52/377659552.db2.gz CHKLSZAHIZGYQM-LLVKDONJSA-N -1 1 296.436 3.486 20 0 CGADMM C[C@@H]1C[C@@H]1c1ccc(CN[C@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000263437484 377936596 /nfs/dbraw/zinc/93/65/96/377936596.db2.gz VCWMOULJGJBGLF-UHOFOFEASA-N -1 1 299.370 3.189 20 0 CGADMM CCCCc1nc(CN(C[C@@H](C)C(=O)[O-])C2CC2)cs1 ZINC000582306924 378302413 /nfs/dbraw/zinc/30/24/13/378302413.db2.gz LMKGLCMVIMQNNU-LLVKDONJSA-N -1 1 296.436 3.171 20 0 CGADMM [O-]c1ccc(-c2noc([C@@H]3CC3(Cl)Cl)n2)c(F)c1 ZINC000278329633 379350306 /nfs/dbraw/zinc/35/03/06/379350306.db2.gz ZLZBDNPACOZABE-ZETCQYMHSA-N -1 1 289.093 3.243 20 0 CGADMM Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)o1 ZINC000350821046 379588937 /nfs/dbraw/zinc/58/89/37/379588937.db2.gz ZCLAXNVASXXWIT-UHFFFAOYSA-N -1 1 260.224 3.150 20 0 CGADMM Cc1ocnc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350816689 379590120 /nfs/dbraw/zinc/59/01/20/379590120.db2.gz QERWLEJTEDOBDI-UHFFFAOYSA-N -1 1 277.667 3.059 20 0 CGADMM COc1ccc(-c2nc(-c3cc(C)oc3C)no2)c([O-])c1 ZINC000351047386 379628595 /nfs/dbraw/zinc/62/85/95/379628595.db2.gz NAPCHNWOTZGGAJ-UHFFFAOYSA-N -1 1 286.287 3.328 20 0 CGADMM CC(C)[C@@H]1CCCN1C(=O)N=c1[n-]sc2ccccc21 ZINC000640341047 379769781 /nfs/dbraw/zinc/76/97/81/379769781.db2.gz QQWNVQZVJZSXBX-LBPRGKRZSA-N -1 1 289.404 3.371 20 0 CGADMM CC(C)(C)C1CN(C(=O)N=c2[n-]sc3ccccc32)C1 ZINC000640337987 379770439 /nfs/dbraw/zinc/77/04/39/379770439.db2.gz RAZGKBMOHKRMKA-UHFFFAOYSA-N -1 1 289.404 3.228 20 0 CGADMM C=Cc1ccc(CCNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000643275550 380250596 /nfs/dbraw/zinc/25/05/96/380250596.db2.gz CSHHYCMPGCTFGJ-UHFFFAOYSA-N -1 1 285.318 3.147 20 0 CGADMM Cc1ccc(C(C)(C)C)cc1SCc1nc(=O)n(C)[n-]1 ZINC000354309644 380393942 /nfs/dbraw/zinc/39/39/42/380393942.db2.gz ZRDUVGLRVDPTLJ-UHFFFAOYSA-N -1 1 291.420 3.007 20 0 CGADMM Cc1cc(C)cc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000354358350 380413498 /nfs/dbraw/zinc/41/34/98/380413498.db2.gz SGQVOULJVIYRQX-INIZCTEOSA-N -1 1 287.334 3.358 20 0 CGADMM O=C1CCc2ccc(-c3nc4ccccc4c(=O)[n-]3)cc21 ZINC000356892005 380922336 /nfs/dbraw/zinc/92/23/36/380922336.db2.gz GNOLHMGAQRCSNT-UHFFFAOYSA-N -1 1 276.295 3.131 20 0 CGADMM C/C=C\c1ccc(NC(=O)c2csc(=NC3CC3)[n-]2)cc1 ZINC000360319932 381515286 /nfs/dbraw/zinc/51/52/86/381515286.db2.gz RAUYGGIXRKVOAS-IHWYPQMZSA-N -1 1 299.399 3.425 20 0 CGADMM CC(C)C[C@@H]1CCCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000288369326 197060773 /nfs/dbraw/zinc/06/07/73/197060773.db2.gz KUQNLGKRVPQIDT-AWEZNQCLSA-N -1 1 289.375 3.002 20 0 CGADMM O=c1nc(-c2ccc([O-])cn2)[nH]c2sc3ccccc3c21 ZINC000427467050 285382761 /nfs/dbraw/zinc/38/27/61/285382761.db2.gz ZDRGGGMBIHZWKL-UHFFFAOYSA-N -1 1 295.323 3.318 20 0 CGADMM CCc1ccnc(-c2nc3cccc(C)c3c(=O)[n-]2)c1 ZINC000358844872 542578621 /nfs/dbraw/zinc/57/86/21/542578621.db2.gz GXQPXIRMBZOGFE-UHFFFAOYSA-N -1 1 265.316 3.268 20 0 CGADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000048655401 392007523 /nfs/dbraw/zinc/00/75/23/392007523.db2.gz MJLJRRBTNUNVLH-UHFFFAOYSA-N -1 1 285.727 3.280 20 0 CGADMM CN(CC1CCC1)C(=O)c1ccc(Br)cc1[O-] ZINC000061482326 392126705 /nfs/dbraw/zinc/12/67/05/392126705.db2.gz JOJVAKYANWLFSM-UHFFFAOYSA-N -1 1 298.180 3.027 20 0 CGADMM COC[C@@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000307773491 392655179 /nfs/dbraw/zinc/65/51/79/392655179.db2.gz LGXQTULZKMTGRK-HNNXBMFYSA-N -1 1 299.370 3.187 20 0 CGADMM Cc1cc(F)c(CN2CCC(C)(C(=O)[O-])CC2)c(Cl)c1 ZINC000647464724 392728919 /nfs/dbraw/zinc/72/89/19/392728919.db2.gz FECQKNHGXBBSOI-UHFFFAOYSA-N -1 1 299.773 3.474 20 0 CGADMM CCCC[C@@H]1CCC[C@H]1N=c1nc([C@@H](C)OC)[n-]s1 ZINC000509677867 392765902 /nfs/dbraw/zinc/76/59/02/392765902.db2.gz CATSAXRAPVBCEA-IJLUTSLNSA-N -1 1 283.441 3.438 20 0 CGADMM C[C@H](CNC(=O)c1ccc(Cl)cc1[O-])CC(F)F ZINC000648471810 393043497 /nfs/dbraw/zinc/04/34/97/393043497.db2.gz WKLJUQKRMWTBPV-ZETCQYMHSA-N -1 1 277.698 3.067 20 0 CGADMM O=C(Nc1ccc(C(=O)C2CCC2)cc1)c1cncc([O-])c1 ZINC000355291963 393295051 /nfs/dbraw/zinc/29/50/51/393295051.db2.gz PXXXGYMQOCEGJP-UHFFFAOYSA-N -1 1 296.326 3.022 20 0 CGADMM Cc1nc(CC2CC2)oc1C(=O)Nc1ccc(F)cc1[O-] ZINC000356401591 393436309 /nfs/dbraw/zinc/43/63/09/393436309.db2.gz WNKUQXXNVWPODF-UHFFFAOYSA-N -1 1 290.294 3.033 20 0 CGADMM CO[C@H](CC(C)C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000420495941 393491125 /nfs/dbraw/zinc/49/11/25/393491125.db2.gz XKOINCWTELBPTO-GFCCVEGCSA-N -1 1 280.299 3.315 20 0 CGADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1F ZINC000443460550 393757994 /nfs/dbraw/zinc/75/79/94/393757994.db2.gz ALPVPIIVBJSCBN-UHFFFAOYSA-N -1 1 293.363 3.497 20 0 CGADMM CCO[C@@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)C(C)C ZINC000445478068 393798319 /nfs/dbraw/zinc/79/83/19/393798319.db2.gz PQSKFTXTBZVEGJ-ZDUSSCGKSA-N -1 1 294.326 3.185 20 0 CGADMM CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(F)cc1[O-] ZINC000450142033 393984814 /nfs/dbraw/zinc/98/48/14/393984814.db2.gz KLRRMBZMGGQNCQ-MWLCHTKSSA-N -1 1 251.301 3.296 20 0 CGADMM C[C@]12CN(C(=O)c3cc(F)ccc3[O-])C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000456995786 394307689 /nfs/dbraw/zinc/30/76/89/394307689.db2.gz UNGPTCDAVLPPBL-KOZDUTSQSA-N -1 1 289.350 3.040 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCC=C(c2ccccc2)C1 ZINC000671915378 543195140 /nfs/dbraw/zinc/19/51/40/543195140.db2.gz KJWQCNDANPGLOI-UHFFFAOYSA-N -1 1 297.329 3.461 20 0 CGADMM CCc1c(C)[n-]n(-c2ccccc2Br)c1=O ZINC000103332047 397648608 /nfs/dbraw/zinc/64/86/08/397648608.db2.gz SCJGMAOLLCTMNX-VIFPVBQESA-N -1 1 281.153 3.198 20 0 CGADMM Cc1cc(-c2nc3cccc(F)c3c(=O)[n-]2)cc(C)c1F ZINC000675222562 543323025 /nfs/dbraw/zinc/32/30/25/543323025.db2.gz QHDPKQZFLKCWAL-UHFFFAOYSA-N -1 1 286.281 3.485 20 0 CGADMM CCc1cccc(CC(=O)Nc2c([O-])cccc2F)c1 ZINC000677000719 543426065 /nfs/dbraw/zinc/42/60/65/543426065.db2.gz VXHFGNRBIBMQSH-UHFFFAOYSA-N -1 1 273.307 3.275 20 0 CGADMM CC(C)(C)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])n[nH]1 ZINC000677212967 543440705 /nfs/dbraw/zinc/44/07/05/543440705.db2.gz ZHXHDGANFFDOMD-UHFFFAOYSA-N -1 1 293.754 3.319 20 0 CGADMM CCN(C[C@@H]1CCOC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000677873378 543470004 /nfs/dbraw/zinc/47/00/04/543470004.db2.gz BZWZQNZNYYWLLI-ZDUSSCGKSA-N -1 1 299.370 3.044 20 0 CGADMM Cc1cccc2c1CCCN2C(=O)c1cc(F)ccc1[O-] ZINC000678311428 543513814 /nfs/dbraw/zinc/51/38/14/543513814.db2.gz ZDPBGANHNBDOMN-UHFFFAOYSA-N -1 1 285.318 3.433 20 0 CGADMM CC(C)c1csc(NC(=O)c2ccccc2[O-])n1 ZINC000042221578 286892601 /nfs/dbraw/zinc/89/26/01/286892601.db2.gz BPWHZLRJJYGVBY-UHFFFAOYSA-N -1 1 262.334 3.224 20 0 CGADMM CC(C)c1ccc2nc(-c3cccc(O)c3)[n-]c(=O)c2c1 ZINC000057771620 286950640 /nfs/dbraw/zinc/95/06/40/286950640.db2.gz LTLLHRNBPIDDRI-UHFFFAOYSA-N -1 1 280.327 3.419 20 0 CGADMM CC(C)[C@H](C)CNC(=O)c1ccc(Cl)cc1[O-] ZINC000081066879 287070364 /nfs/dbraw/zinc/07/03/64/287070364.db2.gz ZTBZFZXUJNTHLI-SECBINFHSA-N -1 1 255.745 3.068 20 0 CGADMM CC(C)[C@H](C)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000081066896 287070670 /nfs/dbraw/zinc/07/06/70/287070670.db2.gz SXQGYVLKGPAYKT-SECBINFHSA-N -1 1 255.745 3.068 20 0 CGADMM COc1ccc(-c2nc(-c3ccccc3OC)no2)c([O-])c1 ZINC000109037292 287127545 /nfs/dbraw/zinc/12/75/45/287127545.db2.gz OQUQGJISWNFHOX-UHFFFAOYSA-N -1 1 298.298 3.126 20 0 CGADMM O=C([O-])c1ccccc1CN1CCc2sccc2C1 ZINC000035415366 172189713 /nfs/dbraw/zinc/18/97/13/172189713.db2.gz KNAIIYGASYTJRS-UHFFFAOYSA-N -1 1 273.357 3.005 20 0 CGADMM O=C(Nc1ccccc1)c1ccc2cccnc2c1[O-] ZINC000040576339 174341768 /nfs/dbraw/zinc/34/17/68/174341768.db2.gz IVENPQBWTQDKOW-UHFFFAOYSA-N -1 1 264.284 3.193 20 0 CGADMM Cc1cccc([C@@H](NCc2cccs2)C(=O)[O-])c1C ZINC000043315755 175004698 /nfs/dbraw/zinc/00/46/98/175004698.db2.gz AULBGWCJPYMZSR-CQSZACIVSA-N -1 1 275.373 3.280 20 0 CGADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000128625388 287315112 /nfs/dbraw/zinc/31/51/12/287315112.db2.gz DPNBFXOMILSZIR-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM CC(C)c1nc(CN2CCCC[C@@H]2CC(=O)[O-])cs1 ZINC000049277364 416470343 /nfs/dbraw/zinc/47/03/43/416470343.db2.gz JSIUTDBBNMAPSG-GFCCVEGCSA-N -1 1 282.409 3.096 20 0 CGADMM CC(C)[C@H]1C[C@@H](CC(=O)Nc2c([O-])cccc2F)CCO1 ZINC000679812088 543661631 /nfs/dbraw/zinc/66/16/31/543661631.db2.gz IXFKSMYITYGESO-SMDDNHRTSA-N -1 1 295.354 3.311 20 0 CGADMM O=C(c1ccc([O-])c(F)c1)N1CCCc2ccccc21 ZINC000681016262 543757023 /nfs/dbraw/zinc/75/70/23/543757023.db2.gz ZWTLCJJQAOAVIK-UHFFFAOYSA-N -1 1 271.291 3.124 20 0 CGADMM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc([O-])c(F)c1 ZINC000681022863 543758612 /nfs/dbraw/zinc/75/86/12/543758612.db2.gz UHJPDCGUNSATIU-CMPLNLGQSA-N -1 1 265.328 3.087 20 0 CGADMM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000681049812 543760796 /nfs/dbraw/zinc/76/07/96/543760796.db2.gz UFMDGUCEWHYRNX-GHMZBOCLSA-N -1 1 265.328 3.182 20 0 CGADMM Cc1cccc(CC2CN(C(=O)c3ccc([O-])c(F)c3)C2)c1 ZINC000681054046 543761354 /nfs/dbraw/zinc/76/13/54/543761354.db2.gz FCFRBBBMRQVGKB-UHFFFAOYSA-N -1 1 299.345 3.154 20 0 CGADMM CC1(C)CN(C(=O)c2ncccc2[O-])[C@H]1c1ccccc1 ZINC000681716392 543804556 /nfs/dbraw/zinc/80/45/56/543804556.db2.gz PMKUBQPAYADTKB-HNNXBMFYSA-N -1 1 282.343 3.011 20 0 CGADMM CCc1ccccc1CC(=O)Nc1c([O-])cccc1F ZINC000682385740 543839262 /nfs/dbraw/zinc/83/92/62/543839262.db2.gz IPYBZUZLWRDZML-UHFFFAOYSA-N -1 1 273.307 3.275 20 0 CGADMM CC1(C)CCC[C@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000682388780 543839591 /nfs/dbraw/zinc/83/95/91/543839591.db2.gz ZNVKJFGHHRFKLR-NSHDSACASA-N -1 1 265.328 3.230 20 0 CGADMM Cc1sccc1CC(=O)Nc1c([O-])cccc1F ZINC000682516906 543849988 /nfs/dbraw/zinc/84/99/88/543849988.db2.gz LMEKWACAGJLRLZ-UHFFFAOYSA-N -1 1 265.309 3.082 20 0 CGADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc([O-])c(F)c1 ZINC000683183558 543902352 /nfs/dbraw/zinc/90/23/52/543902352.db2.gz SLWYWVJCOUPJAL-QMMMGPOBSA-N -1 1 293.260 3.382 20 0 CGADMM CCc1cc(=O)[n-]c(SCCCOC(C)(C)C)n1 ZINC000683454599 543915505 /nfs/dbraw/zinc/91/55/05/543915505.db2.gz QHXVJVKDXLBALT-UHFFFAOYSA-N -1 1 270.398 3.042 20 0 CGADMM COc1ccccc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000683454649 543915842 /nfs/dbraw/zinc/91/58/42/543915842.db2.gz LNWBEPMLFLHPGM-UHFFFAOYSA-N -1 1 288.372 3.361 20 0 CGADMM [O-]c1ccc(-c2noc([C@H]3CC34CCC4)n2)cc1F ZINC000683594493 543927785 /nfs/dbraw/zinc/92/77/85/543927785.db2.gz XQSTVUMQGHSMKQ-SECBINFHSA-N -1 1 260.268 3.239 20 0 CGADMM Cc1ccc(-c2cc(C(=O)[N-]c3ccncc3F)on2)cc1 ZINC000132123595 287397579 /nfs/dbraw/zinc/39/75/79/287397579.db2.gz PKWLIPLVUWQQCA-UHFFFAOYSA-N -1 1 297.289 3.436 20 0 CGADMM CCN(CCC(F)(F)F)C(=O)c1c(F)ccc([O-])c1F ZINC000685427875 544069353 /nfs/dbraw/zinc/06/93/53/544069353.db2.gz CITNBDOOZOIDLS-UHFFFAOYSA-N -1 1 297.223 3.085 20 0 CGADMM CN(C[C@H]1CCCCO1)C(=O)c1cc2ccccc2cc1[O-] ZINC000134011431 287433799 /nfs/dbraw/zinc/43/37/99/287433799.db2.gz DEUMRNMLDXTBDP-OAHLLOKOSA-N -1 1 299.370 3.187 20 0 CGADMM C[C@H](CNC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000134949188 287456943 /nfs/dbraw/zinc/45/69/43/287456943.db2.gz BFBAKKSXPJDNKZ-LLVKDONJSA-N -1 1 273.307 3.065 20 0 CGADMM CC(C)c1noc([N-][C@@H](c2ccccc2)[C@@H](O)C(C)C)n1 ZINC000664531537 418973039 /nfs/dbraw/zinc/97/30/39/418973039.db2.gz MYGYSPUUJNODET-KBPBESRZSA-N -1 1 289.379 3.363 20 0 CGADMM CCN(Cc1ccoc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000652408128 418963403 /nfs/dbraw/zinc/96/34/03/418963403.db2.gz CBMCTYAGRANJHU-UHFFFAOYSA-N -1 1 277.295 3.139 20 0 CGADMM CCN(Cc1ccoc1)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000652408186 418963533 /nfs/dbraw/zinc/96/35/33/418963533.db2.gz JBTNSGCSQDLQLW-JTQLQIEISA-N -1 1 263.293 3.154 20 0 CGADMM CC[C@H](CC(F)F)C(=O)Nc1c([O-])cccc1F ZINC000655032604 419016302 /nfs/dbraw/zinc/01/63/02/419016302.db2.gz MKSFNEMASDJQMK-SSDOTTSWSA-N -1 1 261.243 3.151 20 0 CGADMM C[C@H]1C[C@H]1c1ccc(CN(CC(=O)[O-])CC(C)(C)C)o1 ZINC000665349923 419114088 /nfs/dbraw/zinc/11/40/88/419114088.db2.gz ZBMGKKBVXDBNIG-WCQYABFASA-N -1 1 279.380 3.336 20 0 CGADMM O=C([O-])C1(CN[C@H](CCc2ccccc2)C(F)F)CCC1 ZINC000665354315 419116711 /nfs/dbraw/zinc/11/67/11/419116711.db2.gz GSIDSXSVGGXKHG-CYBMUJFWSA-N -1 1 297.345 3.097 20 0 CGADMM O=C([O-])CN(Cc1ccc(-c2ccccc2)o1)C1CCC1 ZINC000656100350 419140358 /nfs/dbraw/zinc/14/03/58/419140358.db2.gz JYYBPTFOJDYJCS-UHFFFAOYSA-N -1 1 285.343 3.386 20 0 CGADMM C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2Cl)C[C@H](C)O1 ZINC000656764834 419212428 /nfs/dbraw/zinc/21/24/28/419212428.db2.gz FLKJAKXTCOUBDT-MNOVXSKESA-N -1 1 297.782 3.038 20 0 CGADMM CC[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C1CC1 ZINC000657172800 419229283 /nfs/dbraw/zinc/22/92/83/419229283.db2.gz IRGBXLPERBDWFI-GFCCVEGCSA-N -1 1 297.351 3.039 20 0 CGADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccc(F)cc1 ZINC000040438794 260254121 /nfs/dbraw/zinc/25/41/21/260254121.db2.gz ANXFXRKHLGTAGT-UHFFFAOYSA-N -1 1 290.319 3.108 20 0 CGADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000187161302 270067782 /nfs/dbraw/zinc/06/77/82/270067782.db2.gz LGOWQCWOKNYCFZ-UHFFFAOYSA-N -1 1 291.372 3.058 20 0 CGADMM CCc1cnccc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000230229203 270088928 /nfs/dbraw/zinc/08/89/28/270088928.db2.gz ZZQCTLBCVDRMKN-UHFFFAOYSA-N -1 1 285.278 3.206 20 0 CGADMM COC(=O)c1c[n-]c(SCc2ccc3ncccc3c2)n1 ZINC000519806288 270098129 /nfs/dbraw/zinc/09/81/29/270098129.db2.gz NDYVAXAGCYWSQL-UHFFFAOYSA-N -1 1 299.355 3.037 20 0 CGADMM C[C@H]1[C@@H](C2CC2)[C@H]1c1nc(-c2ccc([O-])cc2F)no1 ZINC000528166872 270156254 /nfs/dbraw/zinc/15/62/54/270156254.db2.gz HWTOAPXKBBKLEZ-PAWXDDDFSA-N -1 1 274.295 3.341 20 0 CGADMM O=C(NCC(C1CCC1)C1CCC1)c1ccc([O-])cc1F ZINC000529613748 270186156 /nfs/dbraw/zinc/18/61/56/270186156.db2.gz JSBDPMLWQBTGED-UHFFFAOYSA-N -1 1 291.366 3.478 20 0 CGADMM C[C@H]1CSC[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000397826176 288031697 /nfs/dbraw/zinc/03/16/97/288031697.db2.gz BBUDGBAYRAACLL-HZMBPMFUSA-N -1 1 287.384 3.027 20 0 CGADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000087777616 280183709 /nfs/dbraw/zinc/18/37/09/280183709.db2.gz KPCCSMCKUHUBQI-GXFFZTMASA-N -1 1 279.767 3.450 20 0 CGADMM CC[C@@H](OC1CCCC1)C(=O)Nc1cccc(F)c1[O-] ZINC000530005983 288281829 /nfs/dbraw/zinc/28/18/29/288281829.db2.gz LKUYGSMDGAVADE-CYBMUJFWSA-N -1 1 281.327 3.208 20 0 CGADMM C[C@H]1CC(F)(F)CCN1Cc1ccc(C(=O)[O-])s1 ZINC000530174109 288293161 /nfs/dbraw/zinc/29/31/61/288293161.db2.gz UPJHHQRNUHSYJS-QMMMGPOBSA-N -1 1 275.320 3.066 20 0 CGADMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cncc([O-])c2)C1 ZINC000131729330 281375230 /nfs/dbraw/zinc/37/52/30/281375230.db2.gz YQTFFSKIWADKMO-DZGCQCFKSA-N -1 1 296.370 3.114 20 0 CGADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000019840037 288646753 /nfs/dbraw/zinc/64/67/53/288646753.db2.gz RVRYDBMVLQRIKX-AOOOYVTPSA-N -1 1 267.756 3.164 20 0 CGADMM O=C(Nc1cc(Cl)ccc1[O-])C(=O)c1ccc(F)cc1 ZINC000541722906 288716640 /nfs/dbraw/zinc/71/66/40/288716640.db2.gz WUKWTJFCMXANOB-UHFFFAOYSA-N -1 1 293.681 3.006 20 0 CGADMM CCc1oc2ccccc2c1CN=c1[n-]nc(C)n1C1CC1 ZINC000556338550 289386793 /nfs/dbraw/zinc/38/67/93/289386793.db2.gz ZFMCXUZJFAWXDF-UHFFFAOYSA-N -1 1 296.374 3.264 20 0 CGADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc([O-])cc2F)C1 ZINC000154943111 321753886 /nfs/dbraw/zinc/75/38/86/321753886.db2.gz XRBMRQXEJGKJFN-JQWIXIFHSA-N -1 1 297.395 3.278 20 0 CGADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H]1c1ccco1 ZINC000566360334 322118245 /nfs/dbraw/zinc/11/82/45/322118245.db2.gz VVDWWMQXJXBLLH-QWRGUYRKSA-N -1 1 275.304 3.469 20 0 CGADMM CN(CCC1CC1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000566362826 322118896 /nfs/dbraw/zinc/11/88/96/322118896.db2.gz XGXWOWIQRSTZNA-ZDUSSCGKSA-N -1 1 285.746 3.337 20 0 CGADMM CCc1noc(C)c1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000571863957 322309919 /nfs/dbraw/zinc/30/99/19/322309919.db2.gz OMVWCTIUHAPIRZ-UHFFFAOYSA-N -1 1 289.266 3.107 20 0 CGADMM Cc1cnc(SC[C@@H]2CCC3(CCCC3)O2)[n-]c1=O ZINC000572424759 322336536 /nfs/dbraw/zinc/33/65/36/322336536.db2.gz RYORQFWFMSLGTH-NSHDSACASA-N -1 1 280.393 3.075 20 0 CGADMM CCO[C@H](CCNC(=O)c1c([O-])cccc1Cl)C(C)C ZINC000746410283 572870396 /nfs/dbraw/zinc/87/03/96/572870396.db2.gz XXXYYFJNTWQSQH-CYBMUJFWSA-N -1 1 299.798 3.227 20 0 CGADMM Cc1cc(S(=O)(=O)[N-]c2ccsc2Cl)c(C)o1 ZINC000189745924 328520391 /nfs/dbraw/zinc/52/03/91/328520391.db2.gz PVHSSTDTUHQYQO-UHFFFAOYSA-N -1 1 291.781 3.412 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN1Cc2ccccc2C[C@@H]1C ZINC000582127973 327352726 /nfs/dbraw/zinc/35/27/26/327352726.db2.gz RJURFLGOCLZKSN-NSHDSACASA-N -1 1 285.343 3.233 20 0 CGADMM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cncc([O-])c1 ZINC000174529795 335158422 /nfs/dbraw/zinc/15/84/22/335158422.db2.gz CFJGYPGZSAPZDA-MRXNPFEDSA-N -1 1 298.386 3.189 20 0 CGADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@@H]1C1CC1 ZINC000175525764 335187339 /nfs/dbraw/zinc/18/73/39/335187339.db2.gz XBGQYOYOVHVRDX-NXEZZACHSA-N -1 1 251.713 3.030 20 0 CGADMM CCCc1nc(C)c(CSc2nc(C)c(C)c(=O)[n-]2)o1 ZINC000576701225 335236792 /nfs/dbraw/zinc/23/67/92/335236792.db2.gz UZZANGJZYVGQOT-UHFFFAOYSA-N -1 1 293.392 3.340 20 0 CGADMM O=C([O-])CCCCCN1CCc2sc(Cl)cc2C1 ZINC000577118250 335303401 /nfs/dbraw/zinc/30/34/01/335303401.db2.gz VYEIEWHDJNEIQB-UHFFFAOYSA-N -1 1 287.812 3.405 20 0 CGADMM COc1cc(C(=O)NC2(C3(C)CC3)CC2)cc(Cl)c1[O-] ZINC000577355129 335341663 /nfs/dbraw/zinc/34/16/63/335341663.db2.gz CQOIQECGZFNEHB-UHFFFAOYSA-N -1 1 295.766 3.117 20 0 CGADMM Cc1ccc(CC[C@H](C)NC(=O)c2c([O-])cccc2F)o1 ZINC000436519885 533825376 /nfs/dbraw/zinc/82/53/76/533825376.db2.gz ZGEHNNYZVBQXAS-JTQLQIEISA-N -1 1 291.322 3.184 20 0 CGADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1c([O-])cccc1F ZINC000437001842 533831385 /nfs/dbraw/zinc/83/13/85/533831385.db2.gz PHRSRZJVAYJRNP-MSRIBSCDSA-N -1 1 265.328 3.086 20 0 CGADMM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1c([O-])cccc1F ZINC000436956519 534086659 /nfs/dbraw/zinc/08/66/59/534086659.db2.gz MYMPKUYHJBZVOT-HWPZZCPQSA-N -1 1 285.318 3.195 20 0 CGADMM COC(=O)c1cnc(/C=C\c2cc(F)c([O-])c(F)c2)s1 ZINC000255476764 518033744 /nfs/dbraw/zinc/03/37/44/518033744.db2.gz GMGLVEIEZNMOAU-IHWYPQMZSA-N -1 1 297.282 3.084 20 0 CGADMM CCCN(CC1CCCCC1)C(=O)c1cncc([O-])c1 ZINC000111577080 521629019 /nfs/dbraw/zinc/62/90/19/521629019.db2.gz QFTVEHQGOXSPJY-UHFFFAOYSA-N -1 1 276.380 3.220 20 0 CGADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]1C1CC1 ZINC000367582430 534695951 /nfs/dbraw/zinc/69/59/51/534695951.db2.gz KYLNAUSNYBTCHJ-LBPRGKRZSA-N -1 1 299.292 3.426 20 0 CGADMM CC(C)c1cccnc1NC(=O)c1cc(F)ccc1[O-] ZINC000436611728 528207879 /nfs/dbraw/zinc/20/78/79/528207879.db2.gz VXGQSFGMUYRLKB-UHFFFAOYSA-N -1 1 274.295 3.302 20 0 CGADMM CCOc1cc(C(=O)[N-]c2nc(C(C)(C)C)cs2)on1 ZINC000448769341 528238150 /nfs/dbraw/zinc/23/81/50/528238150.db2.gz GHMDRRKXZBNYMH-UHFFFAOYSA-N -1 1 295.364 3.080 20 0 CGADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)c2ccco2)n1 ZINC000412980832 528613795 /nfs/dbraw/zinc/61/37/95/528613795.db2.gz TYDSAQHESPWXMF-VIFPVBQESA-N -1 1 292.360 3.091 20 0 CGADMM CC(C)N(C)c1ccccc1NC(=O)c1ccccc1[O-] ZINC000436794556 528855186 /nfs/dbraw/zinc/85/51/86/528855186.db2.gz BYDZDMRKBFNJIH-UHFFFAOYSA-N -1 1 284.359 3.489 20 0 CGADMM CC1(C)CC[C@H](C(=O)Nc2ccc(F)cc2[O-])C1 ZINC000359359548 529036777 /nfs/dbraw/zinc/03/67/77/529036777.db2.gz JHQFETIIPDJBNY-VIFPVBQESA-N -1 1 251.301 3.296 20 0 CGADMM CC(C)(C)OCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278087717 534994444 /nfs/dbraw/zinc/99/44/44/534994444.db2.gz GVECLFFRXFHQSN-UHFFFAOYSA-N -1 1 282.727 3.411 20 0 CGADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1cccc(O)c1 ZINC000727854288 571773490 /nfs/dbraw/zinc/77/34/90/571773490.db2.gz WYJATEXTFJAPAP-VIFPVBQESA-N -1 1 291.734 3.242 20 0 CGADMM CCO[C@H](CC)c1noc(-c2ccc([O-])cc2F)n1 ZINC000232390341 571802654 /nfs/dbraw/zinc/80/26/54/571802654.db2.gz DKBAWEWXNNAERB-LLVKDONJSA-N -1 1 266.272 3.069 20 0 CGADMM Cc1cccc(Sc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737409229 572340400 /nfs/dbraw/zinc/34/04/00/572340400.db2.gz CBMLANJACAGTDN-UHFFFAOYSA-N -1 1 286.335 3.465 20 0 CGADMM CC1(CNC(=O)c2c([O-])cccc2Cl)CCCC1 ZINC000731231565 572403921 /nfs/dbraw/zinc/40/39/21/572403921.db2.gz TYTLMXSJMGXIAO-UHFFFAOYSA-N -1 1 267.756 3.356 20 0 CGADMM C[C@H](c1ccc(F)c(F)c1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739177922 572508489 /nfs/dbraw/zinc/50/84/89/572508489.db2.gz QHWWPOMZUAVAGO-RULNRJAQSA-N -1 1 298.333 3.004 20 0 CGADMM CCSCC[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000743807114 572685048 /nfs/dbraw/zinc/68/50/48/572685048.db2.gz FOZSLPNYVKAAQA-SECBINFHSA-N -1 1 287.812 3.307 20 0 CGADMM CCCC1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000736435473 572790984 /nfs/dbraw/zinc/79/09/84/572790984.db2.gz LYMZHTHFJYZYSY-UHFFFAOYSA-N -1 1 286.383 3.033 20 0 CGADMM CCCC1CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736435473 572790994 /nfs/dbraw/zinc/79/09/94/572790994.db2.gz LYMZHTHFJYZYSY-UHFFFAOYSA-N -1 1 286.383 3.033 20 0 CGADMM CC(C)[C@H](C)Sc1cccc(F)c1-c1nn[n-]n1 ZINC000820020310 599098958 /nfs/dbraw/zinc/09/89/58/599098958.db2.gz DNJYVPYGLQDJBC-QMMMGPOBSA-N -1 1 266.345 3.142 20 0 CGADMM C[C@@H]1CN(Cc2occc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000828463583 601044992 /nfs/dbraw/zinc/04/49/92/601044992.db2.gz RHZUNBFZGJNRCG-IAQYHMDHSA-N -1 1 271.316 3.171 20 0 CGADMM Cc1[n-]n(-c2ncnc(Cl)c2C(C)C)c(=O)c1C(C)C ZINC000899352468 620648241 /nfs/dbraw/zinc/64/82/41/620648241.db2.gz JPYLXRATPNFTIO-JTQLQIEISA-N -1 1 294.786 3.248 20 0 CGADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1F ZINC000833312813 601620431 /nfs/dbraw/zinc/62/04/31/601620431.db2.gz GTNLQAVAURBPQL-OAHLLOKOSA-N -1 1 288.322 3.189 20 0 CGADMM O=C([O-])c1sccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000088431497 601803987 /nfs/dbraw/zinc/80/39/87/601803987.db2.gz JMSOEJQWRSZPAN-VIFPVBQESA-N -1 1 293.310 3.221 20 0 CGADMM Cc1ccc(SCc2ccnc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826293148 607541139 /nfs/dbraw/zinc/54/11/39/607541139.db2.gz CPRNCEDRGLJGKV-UHFFFAOYSA-N -1 1 297.387 3.171 20 0 CGADMM Cc1ccc(SCc2ccnc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826293148 607541137 /nfs/dbraw/zinc/54/11/37/607541137.db2.gz CPRNCEDRGLJGKV-UHFFFAOYSA-N -1 1 297.387 3.171 20 0 CGADMM C[C@H](c1ccc(F)cc1F)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173044 602789298 /nfs/dbraw/zinc/78/92/98/602789298.db2.gz DZAQAYJPGKKHBO-GPCCPHFNSA-N -1 1 298.333 3.004 20 0 CGADMM C[C@@H]1CCc2[n-]n(-c3ccc(F)cc3Cl)c(=O)c21 ZINC000899362589 620670290 /nfs/dbraw/zinc/67/02/90/620670290.db2.gz XXQNRFVPNNVENN-JMCQJSRRSA-N -1 1 266.703 3.228 20 0 CGADMM CC(C)C[C@H](CNC(=O)[O-])N[C@H](C)c1cccnc1Cl ZINC000824204561 604306941 /nfs/dbraw/zinc/30/69/41/604306941.db2.gz SYDWHHLOEGBLLG-GHMZBOCLSA-N -1 1 299.802 3.068 20 0 CGADMM O=C([O-])Nc1cccc(CN2Cc3ccccc3C2)c1 ZINC000834269665 605597398 /nfs/dbraw/zinc/59/73/98/605597398.db2.gz LWZAXDJXZVAHIJ-UHFFFAOYSA-N -1 1 268.316 3.292 20 0 CGADMM c1cc2cccc(Nc3cccc(-c4nnn[n-]4)n3)c2s1 ZINC000826518006 607903217 /nfs/dbraw/zinc/90/32/17/607903217.db2.gz YCUCMHKIBYIKEL-UHFFFAOYSA-N -1 1 294.343 3.220 20 0 CGADMM c1cc2cccc(Nc3cccc(-c4nn[n-]n4)n3)c2s1 ZINC000826518006 607903218 /nfs/dbraw/zinc/90/32/18/607903218.db2.gz YCUCMHKIBYIKEL-UHFFFAOYSA-N -1 1 294.343 3.220 20 0 CGADMM Cc1sc([C@H](C)NCc2ccc(C)cc2)nc1C(=O)[O-] ZINC000900074977 620756111 /nfs/dbraw/zinc/75/61/11/620756111.db2.gz GURYRZKJTQZSFE-JTQLQIEISA-N -1 1 290.388 3.309 20 0 CGADMM CC(C)CCC[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000900096972 620762039 /nfs/dbraw/zinc/76/20/39/620762039.db2.gz XCRWEYWIWGDZDZ-NSHDSACASA-N -1 1 291.395 3.004 20 0 CGADMM CC1CCC(c2noc(-c3ccc(N)cc3[O-])n2)CC1 ZINC000044982923 618618279 /nfs/dbraw/zinc/61/82/79/618618279.db2.gz GPFCTHSXIVPBKV-UHFFFAOYSA-N -1 1 273.336 3.318 20 0 CGADMM CCc1ccc([C@@H](C)C(=O)[N-]OCCC(F)(F)F)cc1 ZINC000162707156 619134244 /nfs/dbraw/zinc/13/42/44/619134244.db2.gz MSCYMCLSASZSDE-SNVBAGLBSA-N -1 1 289.297 3.353 20 0 CGADMM O=C(N[C@H]1CCCC1(F)F)c1cc2ccccc2cc1[O-] ZINC000398224369 619137631 /nfs/dbraw/zinc/13/76/31/619137631.db2.gz FMUJITQUOLQLQH-AWEZNQCLSA-N -1 1 291.297 3.463 20 0 CGADMM Cc1ccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)F)s1 ZINC000226615105 619276942 /nfs/dbraw/zinc/27/69/42/619276942.db2.gz MBGZPBITSUVLLY-ZCFIWIBFSA-N -1 1 269.263 3.134 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H]1C1CCCC1 ZINC000889405497 619293582 /nfs/dbraw/zinc/29/35/82/619293582.db2.gz RAQJWVPZLKUGKY-GFCCVEGCSA-N -1 1 279.767 3.450 20 0 CGADMM CCOc1ccccc1CNCc1ccc(C(=O)[O-])s1 ZINC000006895929 619382314 /nfs/dbraw/zinc/38/23/14/619382314.db2.gz ARNCCBDOJICIHS-UHFFFAOYSA-N -1 1 291.372 3.135 20 0 CGADMM O=C(c1cc(Cl)ccc1[O-])N(CC(F)F)C1CCC1 ZINC000895148963 619756024 /nfs/dbraw/zinc/75/60/24/619756024.db2.gz AZUCNZLUBAFXJT-UHFFFAOYSA-N -1 1 289.709 3.305 20 0 CGADMM O=C([N-]OCc1ccccn1)C1(Cc2ccccc2)CCC1 ZINC000909541187 620079095 /nfs/dbraw/zinc/07/90/95/620079095.db2.gz WYSODHXRYCSIBD-UHFFFAOYSA-N -1 1 296.370 3.042 20 0 CGADMM O=c1nc(NC[C@@H]2CCC=CCCC2)cc(Cl)[n-]1 ZINC000897245684 620171494 /nfs/dbraw/zinc/17/14/94/620171494.db2.gz GQUDTJTUNNHBKK-SNVBAGLBSA-N -1 1 267.760 3.384 20 0 CGADMM CC(C)Oc1ccccc1CNCc1cccc(C(=O)[O-])c1 ZINC000262683186 620252705 /nfs/dbraw/zinc/25/27/05/620252705.db2.gz CAPNRPLPQUHFSF-UHFFFAOYSA-N -1 1 299.370 3.462 20 0 CGADMM C[C@@H]1CN(Cc2ccc(/C=C/C(=O)[O-])o2)C[C@H](C)C1(F)F ZINC000901539584 620919575 /nfs/dbraw/zinc/91/95/75/620919575.db2.gz IOFSBMHTDLOZCP-SKUMGHAQSA-N -1 1 299.317 3.101 20 0 CGADMM CC[C@H](C)C[C@@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000901673374 620963764 /nfs/dbraw/zinc/96/37/64/620963764.db2.gz MLQQCBUHJLXVNQ-SMDDNHRTSA-N -1 1 275.348 3.412 20 0 CGADMM Cc1cc(CNCc2cc(C)c(C(=O)[O-])o2)c(C)s1 ZINC000901941716 621072053 /nfs/dbraw/zinc/07/20/53/621072053.db2.gz BNPSPXYXYDXCKD-UHFFFAOYSA-N -1 1 279.361 3.254 20 0 CGADMM C[C@@H]1CCN(Cc2cc3cc(F)ccc3o2)[C@H](C(=O)[O-])C1 ZINC000902011850 621099438 /nfs/dbraw/zinc/09/94/38/621099438.db2.gz NFXIKIPMGSNHMI-YGRLFVJLSA-N -1 1 291.322 3.257 20 0 CGADMM C[C@@H](CCCC(C)(C)C(=O)[O-])Nc1ccc2nn[nH]c2c1 ZINC000902096555 621147269 /nfs/dbraw/zinc/14/72/69/621147269.db2.gz SBICGHWTQABEGD-JTQLQIEISA-N -1 1 290.367 3.039 20 0 CGADMM C[C@@H](CCCC(C)(C)C(=O)[O-])Nc1ccc2n[nH]nc2c1 ZINC000902096555 621147276 /nfs/dbraw/zinc/14/72/76/621147276.db2.gz SBICGHWTQABEGD-JTQLQIEISA-N -1 1 290.367 3.039 20 0 CGADMM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CCc2ccc(F)cc21 ZINC000902236226 621205560 /nfs/dbraw/zinc/20/55/60/621205560.db2.gz PYBRVCCRNDFDDY-CQSZACIVSA-N -1 1 289.306 3.202 20 0 CGADMM Cc1cc(CNC(C)(C)c2cccs2)oc1C(=O)[O-] ZINC000902260681 621213538 /nfs/dbraw/zinc/21/35/38/621213538.db2.gz YWYKNAAMECWHGX-UHFFFAOYSA-N -1 1 279.361 3.373 20 0 CGADMM Cc1cccc([C@@H](C)NCc2ccc(C(=O)[O-])o2)c1C ZINC000902266990 621232409 /nfs/dbraw/zinc/23/24/09/621232409.db2.gz ABMIYARSCUEHPK-GFCCVEGCSA-N -1 1 273.332 3.445 20 0 CGADMM COc1c(C)cccc1CNCc1cc(C(=O)[O-])cs1 ZINC000902297246 621243799 /nfs/dbraw/zinc/24/37/99/621243799.db2.gz JTNJZMPIIKFSQV-UHFFFAOYSA-N -1 1 291.372 3.053 20 0 CGADMM Cc1ccccc1C1(NCc2ccc(C(=O)[O-])o2)CCC1 ZINC000902309249 621248699 /nfs/dbraw/zinc/24/86/99/621248699.db2.gz LLQZASGVVMWHFE-UHFFFAOYSA-N -1 1 285.343 3.455 20 0 CGADMM COc1cc(C)ccc1CNCc1csc(C(=O)[O-])c1 ZINC000902335453 621269963 /nfs/dbraw/zinc/26/99/63/621269963.db2.gz CZTBMMFEFNGIDM-UHFFFAOYSA-N -1 1 291.372 3.053 20 0 CGADMM CC[C@H](NCc1ccoc1C(=O)[O-])c1ccccc1OC ZINC000902355092 621286535 /nfs/dbraw/zinc/28/65/35/621286535.db2.gz KKRAMTKAVFSPKW-ZDUSSCGKSA-N -1 1 289.331 3.227 20 0 CGADMM O=C([O-])c1cccc(C[N@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000902509403 621350118 /nfs/dbraw/zinc/35/01/18/621350118.db2.gz DFSBEIUMAKKMGG-CQSZACIVSA-N -1 1 288.372 3.178 20 0 CGADMM O=C([O-])c1cccc(CN2CCC[C@@H]2c2ccsc2)n1 ZINC000902509403 621350119 /nfs/dbraw/zinc/35/01/19/621350119.db2.gz DFSBEIUMAKKMGG-CQSZACIVSA-N -1 1 288.372 3.178 20 0 CGADMM C[C@@H]1C[C@H](C)N(Cc2occ(C(F)(F)F)c2C(=O)[O-])C1 ZINC000903893793 621827735 /nfs/dbraw/zinc/82/77/35/621827735.db2.gz IIDRUXNXWJWMCE-SFYZADRCSA-N -1 1 291.269 3.227 20 0 CGADMM Cc1coc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000904011593 621854999 /nfs/dbraw/zinc/85/49/99/621854999.db2.gz AKWCQJFHHYJXLW-HNNXBMFYSA-N -1 1 273.332 3.284 20 0 CGADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC000904262281 621894045 /nfs/dbraw/zinc/89/40/45/621894045.db2.gz CCORQZBQJFPPFI-CQSZACIVSA-N -1 1 275.373 3.280 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CC12CCSCC2 ZINC000909986939 622442755 /nfs/dbraw/zinc/44/27/55/622442755.db2.gz DHHLDNLRWLJLQI-MRVPVSSYSA-N -1 1 299.342 3.142 20 0 CGADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987340 622442991 /nfs/dbraw/zinc/44/29/91/622442991.db2.gz QLJHHTAWSLFXGJ-RKDXNWHRSA-N -1 1 269.291 3.291 20 0 CGADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCCCC1(F)F ZINC000909987219 622443515 /nfs/dbraw/zinc/44/35/15/622443515.db2.gz MKQUUKSHRIKRRQ-ZETCQYMHSA-N -1 1 291.244 3.434 20 0 CGADMM CC(C)(C)/C=C\C(=O)Nc1cc([O-])c(F)cc1F ZINC000909981021 622444068 /nfs/dbraw/zinc/44/40/68/622444068.db2.gz KZSYEBOULBLGSL-PLNGDYQASA-N -1 1 255.264 3.211 20 0 CGADMM CC(=O)C(C)(C)CCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909984086 622445369 /nfs/dbraw/zinc/44/53/69/622445369.db2.gz IMJZWYSZSZMMTI-UHFFFAOYSA-N -1 1 285.290 3.004 20 0 CGADMM C[C@H](C(=O)Nc1cc(F)cc(F)c1[O-])C1CCC1 ZINC000910989373 622514154 /nfs/dbraw/zinc/51/41/54/622514154.db2.gz WPTLPFQEENHBGJ-ZETCQYMHSA-N -1 1 255.264 3.045 20 0 CGADMM CSc1ccc([C@H](C)[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000226605368 622985493 /nfs/dbraw/zinc/98/54/93/622985493.db2.gz YCRLOUJSXWTBPI-ZETCQYMHSA-N -1 1 295.301 3.486 20 0 CGADMM C/C(=C\C(=O)[N-]O[C@@H]1CCCCO1)c1ccccc1Cl ZINC000170760097 623098525 /nfs/dbraw/zinc/09/85/25/623098525.db2.gz KFKVGJHYBXJFMH-AUECHBEKSA-N -1 1 295.766 3.318 20 0 CGADMM CCc1cc(=O)[n-]c(SCc2cccc(OC)c2C)n1 ZINC000917513537 624278027 /nfs/dbraw/zinc/27/80/27/624278027.db2.gz VQJYTVLRSHMWLA-UHFFFAOYSA-N -1 1 290.388 3.354 20 0 CGADMM C[C@@H](Cc1cccs1)NC(=O)c1c([O-])cccc1Cl ZINC000920446392 624496004 /nfs/dbraw/zinc/49/60/04/624496004.db2.gz VETAAAMEJSAYDF-VIFPVBQESA-N -1 1 295.791 3.468 20 0 CGADMM O=C(NCc1ccc(Cl)nc1)c1c([O-])cccc1Cl ZINC000920456153 624498119 /nfs/dbraw/zinc/49/81/19/624498119.db2.gz YQAKGKWQCYECFF-UHFFFAOYSA-N -1 1 297.141 3.024 20 0 CGADMM CC/C(C)=C/C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000838042212 626187102 /nfs/dbraw/zinc/18/71/02/626187102.db2.gz QQKGSUUUCXSSCF-PKNBQFBNSA-N -1 1 276.332 3.037 20 0 CGADMM O=C([O-])c1coc(CNC/C=C/c2ccc(F)cc2F)c1 ZINC000756306620 626690788 /nfs/dbraw/zinc/69/07/88/626690788.db2.gz LTXJEGJPLNICSD-OWOJBTEDSA-N -1 1 293.269 3.059 20 0 CGADMM C[C@H]1CCN(C(=O)c2c([O-])cccc2Cl)C[C@H]1C ZINC000767152989 627385771 /nfs/dbraw/zinc/38/57/71/627385771.db2.gz JMDDEKHIDDMETM-VHSXEESVSA-N -1 1 267.756 3.164 20 0 CGADMM Cc1cc(Cl)ccc1CS(=O)(=O)c1ccc([O-])cc1 ZINC000768760551 627497416 /nfs/dbraw/zinc/49/74/16/627497416.db2.gz YEYVPLIRUAUTSP-UHFFFAOYSA-N -1 1 296.775 3.328 20 0 CGADMM CCCCN(C(=O)c1c([O-])cccc1Cl)C1CC1 ZINC000769673583 627572349 /nfs/dbraw/zinc/57/23/49/627572349.db2.gz PWBKNMJUTDVZLQ-UHFFFAOYSA-N -1 1 267.756 3.450 20 0 CGADMM C[C@H](C(=O)[N-]OC1CCOCC1)c1ccc2ccccc2c1 ZINC000772710367 627817038 /nfs/dbraw/zinc/81/70/38/627817038.db2.gz VGOVBMDUFNSPOV-ZDUSSCGKSA-N -1 1 299.370 3.170 20 0 CGADMM COc1ccc(C)cc1COC(=O)c1ccc([O-])cc1F ZINC000773566851 627897185 /nfs/dbraw/zinc/89/71/85/627897185.db2.gz ICIJZQOIJQJCLV-UHFFFAOYSA-N -1 1 290.290 3.205 20 0 CGADMM C[C@H]([N-]C(=O)C(F)F)c1cccc(OC(F)(F)F)c1 ZINC000787416621 629011783 /nfs/dbraw/zinc/01/17/83/629011783.db2.gz IGCKVTRTWGTISW-LURJTMIESA-N -1 1 283.196 3.028 20 0 CGADMM O=C(Cc1ccc(Cl)cc1)Nc1nc(Cl)ccc1[O-] ZINC000789930472 629174810 /nfs/dbraw/zinc/17/48/10/629174810.db2.gz QBJWCVATEXYRGK-UHFFFAOYSA-N -1 1 297.141 3.275 20 0 CGADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000862727469 629426699 /nfs/dbraw/zinc/42/66/99/629426699.db2.gz KUYIPIIWVWQXLA-ZJUUUORDSA-N -1 1 297.807 3.156 20 0 CGADMM CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1cccc(F)c1[O-] ZINC000863008607 629459241 /nfs/dbraw/zinc/45/92/41/629459241.db2.gz YKEDOQVHOIOZNP-GHMZBOCLSA-N -1 1 283.343 3.047 20 0 CGADMM CCC/C(C)=C\C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863476042 629582445 /nfs/dbraw/zinc/58/24/45/629582445.db2.gz SXXFHDZLNPNQAM-QXMHVHEDSA-N -1 1 285.347 3.263 20 0 CGADMM CC(C)[C@H]1CCCN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876393230 634826725 /nfs/dbraw/zinc/82/67/25/634826725.db2.gz JGETXIJVLFOPHI-CYBMUJFWSA-N -1 1 296.798 3.376 20 0 CGADMM C[C@H](C(=O)[N-]OC1CCC1)c1cccc(Cl)c1 ZINC000812791949 631311039 /nfs/dbraw/zinc/31/10/39/631311039.db2.gz FEXMALUIVLWYAI-VIFPVBQESA-N -1 1 253.729 3.044 20 0 CGADMM C[C@@H]1CC/C(=C/C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000837086822 634851721 /nfs/dbraw/zinc/85/17/21/634851721.db2.gz TYFFYSBKMPBHNP-XZZQCUQZSA-N -1 1 267.275 3.355 20 0 CGADMM C[C@H]1CC/C(=C/C(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000837086817 634851828 /nfs/dbraw/zinc/85/18/28/634851828.db2.gz TYFFYSBKMPBHNP-FZGDARCMSA-N -1 1 267.275 3.355 20 0 CGADMM O=C1OCc2c1cccc2NCc1cccc([O-])c1Cl ZINC000816613055 632023215 /nfs/dbraw/zinc/02/32/15/632023215.db2.gz HLGLFZLJWRHKBR-UHFFFAOYSA-N -1 1 289.718 3.328 20 0 CGADMM C[C@@H](C(=O)[N-]OCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000817325094 632121362 /nfs/dbraw/zinc/12/13/62/632121362.db2.gz XDEAWDDYHCVTJC-SECBINFHSA-N -1 1 287.281 3.267 20 0 CGADMM O=C(OCC[C@@H]1CC1(Cl)Cl)c1ccc([O-])cc1F ZINC000820486282 632635868 /nfs/dbraw/zinc/63/58/68/632635868.db2.gz JMBLTPNGRRVXJA-SSDOTTSWSA-N -1 1 293.121 3.272 20 0 CGADMM COc1cnc(C=Cc2cnc(C(C)(C)C)s2)[n-]c1=O ZINC000821009364 632711672 /nfs/dbraw/zinc/71/16/72/632711672.db2.gz ZSSAAGKHPAXHSC-AATRIKPKSA-N -1 1 291.376 3.115 20 0 CGADMM Cc1sc(NC([O-])=NO[C@@H]2CCCCO2)nc1C(C)C ZINC000824273605 633220606 /nfs/dbraw/zinc/22/06/06/633220606.db2.gz PYZYVJUDMOWRBK-SNVBAGLBSA-N -1 1 299.396 3.155 20 0 CGADMM Cc1sc(NC(=O)[N-]O[C@@H]2CCCCO2)nc1C(C)C ZINC000824273605 633220616 /nfs/dbraw/zinc/22/06/16/633220616.db2.gz PYZYVJUDMOWRBK-SNVBAGLBSA-N -1 1 299.396 3.155 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000824622919 633265437 /nfs/dbraw/zinc/26/54/37/633265437.db2.gz MNLLMCYRCDKQJB-CNDDSTCGSA-N -1 1 263.312 3.062 20 0 CGADMM C[C@]1(CC(=O)Nc2c([O-])cccc2F)CC1(Cl)Cl ZINC000825874076 633385612 /nfs/dbraw/zinc/38/56/12/633385612.db2.gz UMUODNNOQCWMGX-NSHDSACASA-N -1 1 292.137 3.444 20 0 CGADMM C[C@@H](OC(=O)Cc1ccc([O-])c(Cl)c1)C(=O)C(C)(C)C ZINC000869734125 633501957 /nfs/dbraw/zinc/50/19/57/633501957.db2.gz CEJZGIYYJCHSSZ-SECBINFHSA-N -1 1 298.766 3.135 20 0 CGADMM O=C(N[C@H]1CCCC12CC2)c1c([O-])cccc1Cl ZINC000869748856 633503451 /nfs/dbraw/zinc/50/34/51/633503451.db2.gz LXFCSIOTWYDXED-NSHDSACASA-N -1 1 265.740 3.108 20 0 CGADMM CO[C@H]1CC[C@@H](C)N(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000870706700 633630957 /nfs/dbraw/zinc/63/09/57/633630957.db2.gz CXGFABYNOFTYCA-OCCSQVGLSA-N -1 1 299.370 3.185 20 0 CGADMM O=C([N-]Oc1ccccc1F)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000828984933 633675540 /nfs/dbraw/zinc/67/55/40/633675540.db2.gz KWPPDCVKVGOYPB-SDDRHHMPSA-N -1 1 263.312 3.062 20 0 CGADMM Cc1ccc(SCCC[N-]C(=O)C(F)(F)F)s1 ZINC000830053016 633822720 /nfs/dbraw/zinc/82/27/20/633822720.db2.gz VXSAIFOPSBBBEI-UHFFFAOYSA-N -1 1 283.340 3.217 20 0 CGADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(C)cc1 ZINC000830363629 633857291 /nfs/dbraw/zinc/85/72/91/633857291.db2.gz VWLUMZHFEGTCLS-UHFFFAOYSA-N -1 1 287.359 3.481 20 0 CGADMM Cc1ccsc1CN[C@@H](C(=O)[O-])c1ccccc1C ZINC000871882344 633909457 /nfs/dbraw/zinc/90/94/57/633909457.db2.gz GBANKUGOPYHQJN-CQSZACIVSA-N -1 1 275.373 3.280 20 0 CGADMM CC1(C)CCc2c([n-]n(Cc3ccccc3F)c2=O)C1 ZINC000871955362 633927125 /nfs/dbraw/zinc/92/71/25/633927125.db2.gz YSKIJTPIXAOKLE-GFCCVEGCSA-N -1 1 274.339 3.350 20 0 CGADMM CCc1[n-]n(Cc2cccc(Cl)c2Cl)c(=O)c1F ZINC000871959765 633929313 /nfs/dbraw/zinc/92/93/13/633929313.db2.gz PSSVLIHHWZPWSC-NSHDSACASA-N -1 1 289.137 3.440 20 0 CGADMM C[C@@H](NC(=O)NCc1ccc([O-])c(Cl)c1)C(C)(C)C ZINC000873056220 634238604 /nfs/dbraw/zinc/23/86/04/634238604.db2.gz CGVDVFPFTWUYKP-SECBINFHSA-N -1 1 284.787 3.279 20 0 CGADMM O=C(C[C@H]1C=CCCC1)NCc1ccc([O-])c(Cl)c1 ZINC000834824872 634247787 /nfs/dbraw/zinc/24/77/87/634247787.db2.gz AHPXGFHFMPNXSO-NSHDSACASA-N -1 1 279.767 3.408 20 0 CGADMM O=C(NCc1ccc([O-])c(Cl)c1)C1=CCCCC1 ZINC000834825573 634248937 /nfs/dbraw/zinc/24/89/37/634248937.db2.gz MRKUCLQFWYBAGT-UHFFFAOYSA-N -1 1 265.740 3.162 20 0 CGADMM C/C(=C/C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000834833788 634253290 /nfs/dbraw/zinc/25/32/90/634253290.db2.gz LVQLNFCOYXERSS-TWGQIWQCSA-N -1 1 265.740 3.018 20 0 CGADMM CC(C)(C)CC(=O)[N-]OCc1noc(C2CCCCC2)n1 ZINC000842061047 635271391 /nfs/dbraw/zinc/27/13/91/635271391.db2.gz IAEXALBWABTULM-UHFFFAOYSA-N -1 1 295.383 3.101 20 0 CGADMM O=C(Nc1cccc(-c2cn[nH]c2)c1)c1cc(F)ccc1[O-] ZINC000129203266 636197394 /nfs/dbraw/zinc/19/73/94/636197394.db2.gz NSKFOTSMNDDOGZ-UHFFFAOYSA-N -1 1 297.289 3.174 20 0 CGADMM CC(C)([N-]C(=O)C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000882220393 636291995 /nfs/dbraw/zinc/29/19/95/636291995.db2.gz ZMMXNDLRABSOHX-UHFFFAOYSA-N -1 1 281.224 3.322 20 0 CGADMM C[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C1CC1 ZINC000885676469 637283483 /nfs/dbraw/zinc/28/34/83/637283483.db2.gz OKSBNAZUSKWHPZ-ZCFIWIBFSA-N -1 1 257.692 3.169 20 0 CGADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@]12C[C@H]1CCC2 ZINC000885681625 637286205 /nfs/dbraw/zinc/28/62/05/637286205.db2.gz FNVPHZYKAZKAFI-FUXBKTLASA-N -1 1 269.703 3.313 20 0 CGADMM O=C(C[C@H]1CC=CCC1)NCCc1c(F)cc([O-])cc1F ZINC000886271359 637476124 /nfs/dbraw/zinc/47/61/24/637476124.db2.gz GMUSADXNTJWISI-NSHDSACASA-N -1 1 295.329 3.076 20 0 CGADMM O=C([O-])C[C@H]1CCCCN1c1ccnc2cc(F)ccc21 ZINC000886913420 637719652 /nfs/dbraw/zinc/71/96/52/637719652.db2.gz BJEVRZCOUJHFIV-GFCCVEGCSA-N -1 1 288.322 3.208 20 0 CGADMM CON(CC(C)(C)C)C(=O)c1cc(SC)ccc1[O-] ZINC000854429134 638052915 /nfs/dbraw/zinc/05/29/15/638052915.db2.gz RHMABHBNGYVZII-UHFFFAOYSA-N -1 1 283.393 3.164 20 0 CGADMM Cc1ccc(CCCNc2cc(Cl)[n-]c(=O)n2)c(C)c1 ZINC000858325634 638681542 /nfs/dbraw/zinc/68/15/42/638681542.db2.gz GOJBTSGROGCKOI-UHFFFAOYSA-N -1 1 291.782 3.497 20 0 CGADMM C[C@H]1CCC[C@H](CNc2cc(Cl)[n-]c(=O)n2)C1 ZINC000858361315 638692098 /nfs/dbraw/zinc/69/20/98/638692098.db2.gz MZLXZYJJRNLAPT-IUCAKERBSA-N -1 1 255.749 3.074 20 0 CGADMM CCCCO[C@H]1C[C@H](Nc2cc(Cl)[n-]c(=O)n2)C1(C)C ZINC000858436013 638717932 /nfs/dbraw/zinc/71/79/32/638717932.db2.gz WPOGXFYIUPFTRO-UWVGGRQHSA-N -1 1 299.802 3.231 20 0 CGADMM C[C@@H]1CCC[C@H](CNc2cc(Cl)[n-]c(=O)n2)[C@@H]1C ZINC000858525563 638755310 /nfs/dbraw/zinc/75/53/10/638755310.db2.gz ZBVUPLPUVUWYCR-OPRDCNLKSA-N -1 1 269.776 3.320 20 0 CGADMM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000928382167 638878897 /nfs/dbraw/zinc/87/88/97/638878897.db2.gz DPVDKRSUEZBMRN-SUMWQHHRSA-N -1 1 296.370 3.196 20 0 CGADMM O=c1nc(N2CCC[C@@H](CC(F)(F)F)C2)cc(Cl)[n-]1 ZINC000858573379 638995776 /nfs/dbraw/zinc/99/57/76/638995776.db2.gz FHKOFJBTAMTDHD-ZETCQYMHSA-N -1 1 295.692 3.004 20 0 CGADMM CCc1cc(O)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000191106306 640289682 /nfs/dbraw/zinc/28/96/82/640289682.db2.gz PAKBVKURQBEIFY-UHFFFAOYSA-N -1 1 275.279 3.052 20 0 CGADMM COc1ccncc1NCc1c([O-])ccc(Cl)c1F ZINC000191532918 640317943 /nfs/dbraw/zinc/31/79/43/640317943.db2.gz KHULLJKFURAGMN-UHFFFAOYSA-N -1 1 282.702 3.200 20 0 CGADMM [O-]c1ccc(Cl)c(F)c1CNc1cccc(CO)c1 ZINC000191539752 640318362 /nfs/dbraw/zinc/31/83/62/640318362.db2.gz AIJUHPVGUQHVCE-UHFFFAOYSA-N -1 1 281.714 3.289 20 0 CGADMM CN(Cc1cc([O-])c(Cl)c(F)c1F)CC1CC1 ZINC001250388069 805597149 /nfs/dbraw/zinc/59/71/49/805597149.db2.gz SZRBCAUXIZGESE-UHFFFAOYSA-N -1 1 261.699 3.166 20 0 CGADMM CN(C)c1ccc(Cc2cc(F)c([O-])c(F)c2)cc1 ZINC001250433862 805613758 /nfs/dbraw/zinc/61/37/58/805613758.db2.gz CPYHKTXTQWGDPQ-UHFFFAOYSA-N -1 1 263.287 3.327 20 0 CGADMM Cc1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001250453099 805627577 /nfs/dbraw/zinc/62/75/77/805627577.db2.gz LEPJCVHFYQPEOT-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cccc([O-])c1F ZINC001156038900 805644574 /nfs/dbraw/zinc/64/45/74/805644574.db2.gz DWQPINCGLZVNFS-QWHCGFSZSA-N -1 1 277.339 3.230 20 0 CGADMM COc1cccc(C)c1NC(=O)c1cccc([O-])c1F ZINC001156073550 805649620 /nfs/dbraw/zinc/64/96/20/805649620.db2.gz GIILBUIYAVEKSO-UHFFFAOYSA-N -1 1 275.279 3.101 20 0 CGADMM CCOC(=O)c1nc2cc(C(F)(F)F)c(C)cc2[n-]1 ZINC001250550015 805688025 /nfs/dbraw/zinc/68/80/25/805688025.db2.gz MAMIYTSWBQNPQC-UHFFFAOYSA-N -1 1 272.226 3.067 20 0 CGADMM COc1ccc(-c2cc(F)c([O-])cc2F)c(OC)c1 ZINC001250617930 805729228 /nfs/dbraw/zinc/72/92/28/805729228.db2.gz LIVQSTULJIGOOG-UHFFFAOYSA-N -1 1 266.243 3.355 20 0 CGADMM [O-]c1cccc(F)c1-c1nc2c([nH]1)c(F)cc(F)c2F ZINC001250673968 805753906 /nfs/dbraw/zinc/75/39/06/805753906.db2.gz HXSKBCAACIIXAZ-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM [O-]c1c(F)cccc1-c1nc2c(cc(F)c(F)c2F)[nH]1 ZINC001250680985 805754924 /nfs/dbraw/zinc/75/49/24/805754924.db2.gz NXVKJRNNDRTUDB-UHFFFAOYSA-N -1 1 282.196 3.492 20 0 CGADMM O=C(N[C@H]1CCCC2(CC2)C1)c1c([O-])cccc1Cl ZINC001156994833 805763624 /nfs/dbraw/zinc/76/36/24/805763624.db2.gz OIBZLSAILLRCME-JTQLQIEISA-N -1 1 279.767 3.498 20 0 CGADMM Cc1cc2nc(-c3ccc(OCC(=O)[O-])cc3)[nH]c2c(C)c1 ZINC001250735051 805767551 /nfs/dbraw/zinc/76/75/51/805767551.db2.gz GFEDFZGWRSBBED-UHFFFAOYSA-N -1 1 296.326 3.310 20 0 CGADMM Cn1c(-c2c(F)cc([O-])cc2F)nc2cccc(F)c21 ZINC001251007926 805826181 /nfs/dbraw/zinc/82/61/81/805826181.db2.gz SLWUJMHPWVFTCS-UHFFFAOYSA-N -1 1 278.233 3.363 20 0 CGADMM COc1ccc2nc(-c3cc(C(=O)[O-])ccc3F)[nH]c2c1 ZINC001251015580 805829553 /nfs/dbraw/zinc/82/95/53/805829553.db2.gz UEZZWEPOKVFDEM-UHFFFAOYSA-N -1 1 286.262 3.076 20 0 CGADMM COc1cc2nc(-c3cc([O-])c(F)c(F)c3)[nH]c2cc1F ZINC001251240208 805870722 /nfs/dbraw/zinc/87/07/22/805870722.db2.gz XMNWQGKJTPNWFK-UHFFFAOYSA-N -1 1 294.232 3.361 20 0 CGADMM Cc1cc(F)cc(C(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001157806364 805876853 /nfs/dbraw/zinc/87/68/53/805876853.db2.gz ZPQBQBZRSSRNOE-UHFFFAOYSA-N -1 1 281.233 3.370 20 0 CGADMM [O-]c1cnc(Cl)cc1-c1nc2c(cc(F)c(F)c2F)[nH]1 ZINC001251251860 805871474 /nfs/dbraw/zinc/87/14/74/805871474.db2.gz KNQBCIWQNAJDGM-UHFFFAOYSA-N -1 1 299.639 3.401 20 0 CGADMM [O-]c1cccc(-c2nnc(Cc3ccc(F)cc3)o2)c1F ZINC001251930606 805954090 /nfs/dbraw/zinc/95/40/90/805954090.db2.gz OLCPYVLQJWVOPY-UHFFFAOYSA-N -1 1 288.253 3.311 20 0 CGADMM O=C(N[C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc(C(F)(F)F)cc1[O-] ZINC001158945769 806025094 /nfs/dbraw/zinc/02/50/94/806025094.db2.gz JFHIRWIBKYPTIA-MKPLZMMCSA-N -1 1 299.292 3.329 20 0 CGADMM CC(C)S(=O)(=O)[N-]c1cccc2cc(Cl)cnc21 ZINC001252522321 806055641 /nfs/dbraw/zinc/05/56/41/806055641.db2.gz KXASKLRTOPMVAR-UHFFFAOYSA-N -1 1 284.768 3.038 20 0 CGADMM Cc1cc(Nc2cccc3[nH]ncc32)cc(C(=O)[O-])c1 ZINC001159574742 806123550 /nfs/dbraw/zinc/12/35/50/806123550.db2.gz LIYWMCGQJPPANQ-UHFFFAOYSA-N -1 1 267.288 3.313 20 0 CGADMM Cc1cc(C(=O)[O-])ccc1Nc1cccc2[nH]ncc21 ZINC001159574624 806123740 /nfs/dbraw/zinc/12/37/40/806123740.db2.gz JHEODFLNJPHLDH-UHFFFAOYSA-N -1 1 267.288 3.313 20 0 CGADMM CCCS(=O)(=O)[N-]c1ccccc1Oc1cccnc1 ZINC001253692645 806279882 /nfs/dbraw/zinc/27/98/82/806279882.db2.gz KUTHKPRMTRUFRD-UHFFFAOYSA-N -1 1 292.360 3.026 20 0 CGADMM Cc1ccc(C)c(CC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001160916517 806320673 /nfs/dbraw/zinc/32/06/73/806320673.db2.gz JTAFVXHDHNANMK-UHFFFAOYSA-N -1 1 291.297 3.468 20 0 CGADMM C[C@@H]1CC=C(C(=O)Nc2nc(Cl)ccc2[O-])CC1 ZINC001161178852 806355656 /nfs/dbraw/zinc/35/56/56/806355656.db2.gz AYRQZEYIPHNNAU-MRVPVSSYSA-N -1 1 266.728 3.126 20 0 CGADMM [O-]c1cnccc1-c1nnc(Cc2ccccc2Cl)o1 ZINC001254376142 806388330 /nfs/dbraw/zinc/38/83/30/806388330.db2.gz XWLPHGZXTUZEAW-UHFFFAOYSA-N -1 1 287.706 3.081 20 0 CGADMM [O-]c1cc(O)ccc1-c1nnc([C@H]2C[C@@H]2c2ccccc2)o1 ZINC001254513096 806432330 /nfs/dbraw/zinc/43/23/30/806432330.db2.gz NAUVNRDNXXOCPU-KGLIPLIRSA-N -1 1 294.310 3.419 20 0 CGADMM COc1cccc([N-]S(=O)(=O)c2ccccc2C)c1C ZINC001254602031 806458486 /nfs/dbraw/zinc/45/84/86/806458486.db2.gz ONPWPZOYKSWSHQ-UHFFFAOYSA-N -1 1 291.372 3.113 20 0 CGADMM C=Cc1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC001254610847 806461783 /nfs/dbraw/zinc/46/17/83/806461783.db2.gz DXYQFGZPTRJBTB-UHFFFAOYSA-N -1 1 273.357 3.439 20 0 CGADMM COc1cc(-c2nnc(C3CCC3)o2)cc(Cl)c1[O-] ZINC001255252578 806583955 /nfs/dbraw/zinc/58/39/55/806583955.db2.gz XFRCXNRADWLATK-UHFFFAOYSA-N -1 1 280.711 3.372 20 0 CGADMM Cc1cc(CSc2ncc(C)c(=O)[n-]2)cc(Cl)n1 ZINC000321206185 799247658 /nfs/dbraw/zinc/24/76/58/799247658.db2.gz NSVLDYYLBZDYAF-UHFFFAOYSA-N -1 1 281.768 3.140 20 0 CGADMM CO[C@@H](C)c1nc(=NC2CCCCCCC2)s[n-]1 ZINC000385433505 799426382 /nfs/dbraw/zinc/42/63/82/799426382.db2.gz OARMWOPAMRWXDS-JTQLQIEISA-N -1 1 269.414 3.192 20 0 CGADMM Cn1c(-c2c([O-])cccc2F)nc2cccc(F)c21 ZINC000387941037 799449003 /nfs/dbraw/zinc/44/90/03/799449003.db2.gz ISQRBUDLMZULLB-UHFFFAOYSA-N -1 1 260.243 3.224 20 0 CGADMM CO[C@H]1CC[C@@H](C)N(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000687196002 799737934 /nfs/dbraw/zinc/73/79/34/799737934.db2.gz FJNHDOSYTHTYJB-PWSUYJOCSA-N -1 1 297.782 3.038 20 0 CGADMM CC(=O)c1ccsc1NC(=O)c1c(C)cccc1[O-] ZINC000706656110 799964906 /nfs/dbraw/zinc/96/49/06/799964906.db2.gz DTIFJEXEVWVCRA-UHFFFAOYSA-N -1 1 275.329 3.217 20 0 CGADMM O=C([O-])CC[C@@H]1CCCCN1Cc1scnc1Cl ZINC000713505173 800112418 /nfs/dbraw/zinc/11/24/18/800112418.db2.gz WISJHJTWIQWFPU-VIFPVBQESA-N -1 1 288.800 3.016 20 0 CGADMM COc1cccc2[nH]c(-c3c([O-])cccc3F)nc21 ZINC000721265850 800285241 /nfs/dbraw/zinc/28/52/41/800285241.db2.gz ZYMJTLGZJURUKU-UHFFFAOYSA-N -1 1 258.252 3.083 20 0 CGADMM CC(C)[C@H](F)c1nc(-c2ccc([O-])cc2F)no1 ZINC000809470258 800439745 /nfs/dbraw/zinc/43/97/45/800439745.db2.gz ZVIFSAIVILIUMP-JTQLQIEISA-N -1 1 254.236 3.248 20 0 CGADMM CN(C(=O)c1c(F)ccc([O-])c1F)c1ccsc1 ZINC001163835590 806836297 /nfs/dbraw/zinc/83/62/97/806836297.db2.gz IMLLIGQKMWEIRP-UHFFFAOYSA-N -1 1 269.272 3.009 20 0 CGADMM CC(C)Cc1nnc(Cc2ccc([O-])c(Cl)c2)o1 ZINC001256406531 806884961 /nfs/dbraw/zinc/88/49/61/806884961.db2.gz CBTWIBYKMNMDPY-UHFFFAOYSA-N -1 1 266.728 3.218 20 0 CGADMM Cc1ccc(-c2nnc(-c3ncccc3[O-])o2)cc1C ZINC001256531033 806911288 /nfs/dbraw/zinc/91/12/88/806911288.db2.gz HVILBUHDCIBOHJ-UHFFFAOYSA-N -1 1 267.288 3.121 20 0 CGADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001117612612 802471003 /nfs/dbraw/zinc/47/10/03/802471003.db2.gz BQIQWFJQHAJKQK-GHMZBOCLSA-N -1 1 295.329 3.323 20 0 CGADMM Cc1nc(C(C)C)oc1C(=O)[N-]c1c(F)ccnc1F ZINC001119394893 802658918 /nfs/dbraw/zinc/65/89/18/802658918.db2.gz WJXXSPAWIWZVHU-UHFFFAOYSA-N -1 1 281.262 3.032 20 0 CGADMM O=C(NC[C@@H]1CCC=CCCC1)c1c([O-])cccc1F ZINC001180307937 809991700 /nfs/dbraw/zinc/99/17/00/809991700.db2.gz UMGOIYZMFDBUKX-GFCCVEGCSA-N -1 1 277.339 3.398 20 0 CGADMM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ncc2C)c1 ZINC001256868902 806995327 /nfs/dbraw/zinc/99/53/27/806995327.db2.gz HYVSFEPSAIMAIN-UHFFFAOYSA-N -1 1 296.779 3.153 20 0 CGADMM Fc1ccc(C2CC2)c(F)c1-c1ccc(-c2nnn[n-]2)nc1 ZINC001244078341 803174132 /nfs/dbraw/zinc/17/41/32/803174132.db2.gz FVUDXUUUFWCZNZ-UHFFFAOYSA-N -1 1 299.284 3.084 20 0 CGADMM Fc1ccc(C2CC2)c(F)c1-c1ccc(-c2nn[n-]n2)nc1 ZINC001244078341 803174137 /nfs/dbraw/zinc/17/41/37/803174137.db2.gz FVUDXUUUFWCZNZ-UHFFFAOYSA-N -1 1 299.284 3.084 20 0 CGADMM COC(=O)c1cc(-c2cc(F)c([O-])c(F)c2)ccc1C ZINC001244096724 803183669 /nfs/dbraw/zinc/18/36/69/803183669.db2.gz LTBBMVMADCPSOM-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM [O-]c1c(F)cc(-c2ccc(N3CCOCC3)cc2)cc1F ZINC001244096762 803185117 /nfs/dbraw/zinc/18/51/17/803185117.db2.gz NNAXXKDDALAFBA-UHFFFAOYSA-N -1 1 291.297 3.174 20 0 CGADMM COC(=O)c1cc(F)cc(-c2cc(F)c([O-])c(F)c2)c1 ZINC001244096856 803185290 /nfs/dbraw/zinc/18/52/90/803185290.db2.gz KITUMQSINRFMNE-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM Cc1ccc([O-])c(-c2ncc(C)c(NC(C)C)n2)c1 ZINC001244402595 803352184 /nfs/dbraw/zinc/35/21/84/803352184.db2.gz YBYNEDVQGYMNOV-UHFFFAOYSA-N -1 1 257.337 3.286 20 0 CGADMM [O-]c1ccc(OC(F)(F)F)cc1-c1cc2nccc-2[n-][nH+]1 ZINC001244458492 803380023 /nfs/dbraw/zinc/38/00/23/803380023.db2.gz OVDYJYPVOXMTOY-UHFFFAOYSA-N -1 1 295.220 3.229 20 0 CGADMM [O-]c1cc(OC(F)(F)F)ccc1-c1cn2ccnc2cn1 ZINC001244466065 803382728 /nfs/dbraw/zinc/38/27/28/803382728.db2.gz RCPHJDROSOZROP-UHFFFAOYSA-N -1 1 295.220 3.001 20 0 CGADMM COc1ccc(Nc2c([O-])cc(F)cc2F)c(C)n1 ZINC001211041615 814717469 /nfs/dbraw/zinc/71/74/69/814717469.db2.gz SBUBWIJKTCSVTB-UHFFFAOYSA-N -1 1 266.247 3.126 20 0 CGADMM Cc1cc(-c2ncccc2C(N)=S)cc(Cl)c1[O-] ZINC001244537032 803424394 /nfs/dbraw/zinc/42/43/94/803424394.db2.gz SJAOXWDWLRMNMQ-UHFFFAOYSA-N -1 1 278.764 3.050 20 0 CGADMM Cc1cc(-c2cc(C)c([O-])c(Cl)c2)nc2c1nnn2C ZINC001244537100 803424407 /nfs/dbraw/zinc/42/44/07/803424407.db2.gz VNRCITZEXAGONR-UHFFFAOYSA-N -1 1 288.738 3.006 20 0 CGADMM COC(=O)c1ccc(C)c(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244538118 803425605 /nfs/dbraw/zinc/42/56/05/803425605.db2.gz JIMVNQHEOKNEIV-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COC(=O)c1cc(-c2c(Cl)ccc([O-])c2F)ncc1C ZINC001244537679 803425629 /nfs/dbraw/zinc/42/56/29/803425629.db2.gz DSVDWKQNSHRLCV-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM COC(=O)c1cc(C)cc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244539446 803426342 /nfs/dbraw/zinc/42/63/42/803426342.db2.gz VZSOITJRXSVLLV-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CCOc1nccc(-c2c(Cl)ccc([O-])c2F)n1 ZINC001244539444 803426821 /nfs/dbraw/zinc/42/68/21/803426821.db2.gz VYGDCCOSTALFFP-UHFFFAOYSA-N -1 1 268.675 3.040 20 0 CGADMM CCc1cnc(-c2c(Cl)ccc([O-])c2F)nc1 ZINC001244538737 803426870 /nfs/dbraw/zinc/42/68/70/803426870.db2.gz RIRYXFPKUNLJGJ-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM Cc1noc2ncnc(-c3cc(C)c([O-])c(Cl)c3)c12 ZINC001244539563 803427259 /nfs/dbraw/zinc/42/72/59/803427259.db2.gz WUBZSKXIWZKCHS-UHFFFAOYSA-N -1 1 275.695 3.261 20 0 CGADMM [O-]c1ccc(Cl)c(-c2ccc3c(n2)NCCO3)c1F ZINC001244543164 803429255 /nfs/dbraw/zinc/42/92/55/803429255.db2.gz UVYSMHRPBBIRFZ-UHFFFAOYSA-N -1 1 280.686 3.051 20 0 CGADMM [O-]c1c(Cl)ccc(-c2nccc3c2CCN3)c1F ZINC001244630931 803473839 /nfs/dbraw/zinc/47/38/39/803473839.db2.gz TXNXRKHKQSJMCI-UHFFFAOYSA-N -1 1 264.687 3.215 20 0 CGADMM Cc1cc2c(c(-c3ccc(C4CCC4)cc3)n1)C(=O)[N-]C2=O ZINC001244941549 803584702 /nfs/dbraw/zinc/58/47/02/803584702.db2.gz GSBZEPFWDPMJKL-UHFFFAOYSA-N -1 1 292.338 3.208 20 0 CGADMM CC(C)(F)c1cc([N-]C(=O)c2coc(C3CCC3)n2)no1 ZINC001135374108 803591369 /nfs/dbraw/zinc/59/13/69/803591369.db2.gz YQTQSLLLSNIBPS-UHFFFAOYSA-N -1 1 293.298 3.387 20 0 CGADMM Cc1ccc(CNC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001135737420 803612155 /nfs/dbraw/zinc/61/21/55/803612155.db2.gz PNBZLJWEGMYOIO-UHFFFAOYSA-N -1 1 289.762 3.213 20 0 CGADMM CC(C)(C)c1ccc(CCNC(=O)c2ccc([O-])cn2)cc1 ZINC001136216929 803636670 /nfs/dbraw/zinc/63/66/70/803636670.db2.gz FTBBPHZUJPDENR-UHFFFAOYSA-N -1 1 298.386 3.057 20 0 CGADMM C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc([O-])cc1F ZINC001137095778 803682867 /nfs/dbraw/zinc/68/28/67/803682867.db2.gz NLNLKOVHMKGZRH-LLVKDONJSA-N -1 1 285.318 3.118 20 0 CGADMM COc1nccc(Nc2c([O-])cc(F)cc2F)c1Cl ZINC001211950110 814959976 /nfs/dbraw/zinc/95/99/76/814959976.db2.gz FAJAEAARJCOKMI-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM CCNc1cccnc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001138014833 803826617 /nfs/dbraw/zinc/82/66/17/803826617.db2.gz DUQPICMSFRKDBL-UHFFFAOYSA-N -1 1 291.738 3.125 20 0 CGADMM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001212094186 814975184 /nfs/dbraw/zinc/97/51/84/814975184.db2.gz YSOQFSJWLWQCST-ZFWWWQNUSA-N -1 1 293.388 3.146 20 0 CGADMM COCc1cc(-c2c(F)ccc([O-])c2Cl)nc(C)n1 ZINC001245826973 803981613 /nfs/dbraw/zinc/98/16/13/803981613.db2.gz JIPZMUDJOOBUQR-UHFFFAOYSA-N -1 1 282.702 3.097 20 0 CGADMM CCOC(=O)c1ccc(-c2c(F)ccc([O-])c2Cl)cn1 ZINC001245831697 803986331 /nfs/dbraw/zinc/98/63/31/803986331.db2.gz PHTBSFDXMUFORB-UHFFFAOYSA-N -1 1 295.697 3.423 20 0 CGADMM CC(=O)Nc1cccnc1-c1c(F)ccc([O-])c1Cl ZINC001245832092 803986772 /nfs/dbraw/zinc/98/67/72/803986772.db2.gz LOZNZPXJOYASSP-UHFFFAOYSA-N -1 1 280.686 3.205 20 0 CGADMM [O-]c1ccc(F)c(-c2ccnc3[nH]cnc32)c1Cl ZINC001245831873 803986803 /nfs/dbraw/zinc/98/68/03/803986803.db2.gz RRBMAUMPFYMMGO-UHFFFAOYSA-N -1 1 263.659 3.075 20 0 CGADMM [O-]c1ccc(F)c(-c2ccc(-n3nccn3)cc2)c1Cl ZINC001245831042 803987079 /nfs/dbraw/zinc/98/70/79/803987079.db2.gz AHLXUAJCUDTIBO-UHFFFAOYSA-N -1 1 289.697 3.432 20 0 CGADMM Cc1c(-c2c(F)ccc([O-])c2Cl)ccc2ncnn21 ZINC001245831861 803987171 /nfs/dbraw/zinc/98/71/71/803987171.db2.gz RIJCQSGFJIOXPL-UHFFFAOYSA-N -1 1 277.686 3.203 20 0 CGADMM Cn1cnc2cc(-c3c(F)ccc([O-])c3Cl)cnc21 ZINC001245832452 803987374 /nfs/dbraw/zinc/98/73/74/803987374.db2.gz YELIVCQGAWDDQD-UHFFFAOYSA-N -1 1 277.686 3.133 20 0 CGADMM O=C1NCc2cc(-c3c(F)ccc([O-])c3Cl)ccc21 ZINC001245832996 803987940 /nfs/dbraw/zinc/98/79/40/803987940.db2.gz RJMSLDBACXISAK-UHFFFAOYSA-N -1 1 277.682 3.095 20 0 CGADMM COC(=O)c1cnc(C)c(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245836606 803990111 /nfs/dbraw/zinc/99/01/11/803990111.db2.gz VCVFYBAKVVVQTJ-UHFFFAOYSA-N -1 1 295.697 3.342 20 0 CGADMM CCc1cc(=O)n(-c2ccc(F)c(C(F)(F)F)c2)[n-]1 ZINC001245918204 804044719 /nfs/dbraw/zinc/04/47/19/804044719.db2.gz UKJFWNBMSPQZLM-UHFFFAOYSA-N -1 1 274.217 3.298 20 0 CGADMM Cc1cc(=O)n(-c2ccnc3c(Cl)cccc23)[n-]1 ZINC001245927682 804056889 /nfs/dbraw/zinc/05/68/89/804056889.db2.gz CRXBPIYGPVWAPF-UHFFFAOYSA-N -1 1 259.696 3.088 20 0 CGADMM CC(=O)Nc1cccc(-n2[n-]c(CC3CCCC3)cc2=O)c1 ZINC001245932084 804061058 /nfs/dbraw/zinc/06/10/58/804061058.db2.gz OHWAKQXTANIRTA-UHFFFAOYSA-N -1 1 299.374 3.269 20 0 CGADMM CCCCCc1cc(=O)n(-c2cccc(OC)c2)[n-]1 ZINC001245943555 804077003 /nfs/dbraw/zinc/07/70/03/804077003.db2.gz LDXPRCWEJDSQEE-UHFFFAOYSA-N -1 1 260.337 3.319 20 0 CGADMM Cc1c(Cl)cccc1-n1[n-]c(CC2CC2)cc1=O ZINC001245952589 804087052 /nfs/dbraw/zinc/08/70/52/804087052.db2.gz CYFLDVMQFNFRQP-UHFFFAOYSA-N -1 1 262.740 3.492 20 0 CGADMM Cc1[nH]c(CN2Cc3ccccc3C[C@@H]2C)c(C)c1C(=O)[O-] ZINC001140496495 804447608 /nfs/dbraw/zinc/44/76/08/804447608.db2.gz IYOWFCVHPIMOCB-NSHDSACASA-N -1 1 298.386 3.277 20 0 CGADMM O=C([O-])c1ccccc1CN1CCc2cc(F)ccc2C1 ZINC001140503308 804448988 /nfs/dbraw/zinc/44/89/88/804448988.db2.gz UMWFAUGJVYMYTB-UHFFFAOYSA-N -1 1 285.318 3.082 20 0 CGADMM Cc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])o2)cn1 ZINC001140947377 804556193 /nfs/dbraw/zinc/55/61/93/804556193.db2.gz JYUQIYNHNCYOTE-AWEZNQCLSA-N -1 1 286.331 3.018 20 0 CGADMM CC[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001140982318 804561157 /nfs/dbraw/zinc/56/11/57/804561157.db2.gz UYANOSYBVNTESU-ZYHUDNBSSA-N -1 1 265.328 3.087 20 0 CGADMM O=C1CCN(Cc2cc(F)c([O-])c(F)c2)[C@H]2CCCC[C@@H]12 ZINC001140987987 804561791 /nfs/dbraw/zinc/56/17/91/804561791.db2.gz JKMAAWHSWDTDRL-RISCZKNCSA-N -1 1 295.329 3.004 20 0 CGADMM CC[C@@H]1CCC[C@H]1CNC(=O)c1ccc(F)c([O-])c1 ZINC001140982317 804562320 /nfs/dbraw/zinc/56/23/20/804562320.db2.gz UYANOSYBVNTESU-PWSUYJOCSA-N -1 1 265.328 3.087 20 0 CGADMM C[C@]1(CF)CC(F)(F)CN1Cc1cc(F)c([O-])c(F)c1 ZINC001140988362 804564675 /nfs/dbraw/zinc/56/46/75/804564675.db2.gz XRNUMRZLECIBGD-GFCCVEGCSA-N -1 1 295.251 3.240 20 0 CGADMM [O-]c1cccnc1-c1nc(-c2ccc(OC3CC3)cc2)no1 ZINC001212480873 815034821 /nfs/dbraw/zinc/03/48/21/815034821.db2.gz NPTNDYCMRVSQHZ-UHFFFAOYSA-N -1 1 295.298 3.045 20 0 CGADMM Cc1ncsc1CCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142542251 804736169 /nfs/dbraw/zinc/73/61/69/804736169.db2.gz NTDRUGSAZGJEKY-UHFFFAOYSA-N -1 1 298.314 3.007 20 0 CGADMM C[N@H+]1CCC[C@H](CCNc2cc([S-])cc([S-])c2)C1 ZINC001165290410 806989088 /nfs/dbraw/zinc/98/90/88/806989088.db2.gz SWCRAPDIWBAZFC-LLVKDONJSA-N -1 1 282.478 3.408 20 0 CGADMM [O-]c1cc(F)c(CN2CCCCC(F)(F)C2)c(F)c1 ZINC001144542208 805002059 /nfs/dbraw/zinc/00/20/59/805002059.db2.gz SSWMBOVZYCLMSI-UHFFFAOYSA-N -1 1 277.261 3.292 20 0 CGADMM [O-]c1cc(F)c(CN2CC3(C2)CCCC3)cc1F ZINC001144647633 805021085 /nfs/dbraw/zinc/02/10/85/805021085.db2.gz JRFGGPHGASDCCX-UHFFFAOYSA-N -1 1 253.292 3.046 20 0 CGADMM CN(Cc1cccc(F)c1)Cc1cc(F)c([O-])cc1F ZINC001144647286 805022278 /nfs/dbraw/zinc/02/22/78/805022278.db2.gz DJZKMIYBVDBFET-UHFFFAOYSA-N -1 1 281.277 3.442 20 0 CGADMM Cc1cccc2c1C[N@@H+](Cc1sccc1C(=O)[O-])C2 ZINC001144664573 805028516 /nfs/dbraw/zinc/02/85/16/805028516.db2.gz KAGRLLKJNBNGJY-UHFFFAOYSA-N -1 1 273.357 3.271 20 0 CGADMM Cc1cccc2c1CN(Cc1sccc1C(=O)[O-])C2 ZINC001144664573 805028525 /nfs/dbraw/zinc/02/85/25/805028525.db2.gz KAGRLLKJNBNGJY-UHFFFAOYSA-N -1 1 273.357 3.271 20 0 CGADMM CCCC[C@@H](CCC)NC(=O)c1ncc(C)cc1[O-] ZINC001148997879 805216252 /nfs/dbraw/zinc/21/62/52/805216252.db2.gz SVUHNCIEJQROQD-GFCCVEGCSA-N -1 1 264.369 3.184 20 0 CGADMM CC(C)[C@H](C)NC(=O)c1cc2cccc(O)c2cc1[O-] ZINC001149645351 805240873 /nfs/dbraw/zinc/24/08/73/805240873.db2.gz OIFKHUYFQQZSEG-JTQLQIEISA-N -1 1 273.332 3.025 20 0 CGADMM CSc1ccccc1CC(=O)Nc1cccc(F)c1[O-] ZINC001151779570 805311973 /nfs/dbraw/zinc/31/19/73/805311973.db2.gz GSZUXOAYPXFHOI-UHFFFAOYSA-N -1 1 291.347 3.434 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])c1cc(O)ccc1Cl ZINC001151780435 805313037 /nfs/dbraw/zinc/31/30/37/805313037.db2.gz ZMIWEMMYXYHWOX-UHFFFAOYSA-N -1 1 281.670 3.143 20 0 CGADMM O=c1cc[nH]c(Cl)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249961274 805329054 /nfs/dbraw/zinc/32/90/54/805329054.db2.gz OHPLIFXQAKCLAQ-UHFFFAOYSA-N -1 1 290.628 3.307 20 0 CGADMM COc1nccc(Nc2cc([O-])c(F)c(F)c2F)c1F ZINC001249961178 805329156 /nfs/dbraw/zinc/32/91/56/805329156.db2.gz JQBBIMIUAQJSBR-UHFFFAOYSA-N -1 1 288.200 3.096 20 0 CGADMM Nc1ccc2c(c1)N(c1cc([O-])c(F)c(F)c1F)CCC2 ZINC001249965569 805333643 /nfs/dbraw/zinc/33/36/43/805333643.db2.gz ASLPISVYICZXEM-UHFFFAOYSA-N -1 1 294.276 3.476 20 0 CGADMM Cc1cc(C=O)c([O-])c(C(=O)N2C[C@H](C)CC(C)(C)C2)c1 ZINC001152326901 805344698 /nfs/dbraw/zinc/34/46/98/805344698.db2.gz BVHIPMFVYMCQSA-GFCCVEGCSA-N -1 1 289.375 3.021 20 0 CGADMM [O-]c1c(F)cc(COCc2ccccc2)cc1F ZINC001250000552 805357915 /nfs/dbraw/zinc/35/79/15/805357915.db2.gz ZYWYMIUNJFTCLD-UHFFFAOYSA-N -1 1 250.244 3.387 20 0 CGADMM [O-]c1cc(F)c(Nc2cnc3c(c2)COCC3)cc1Cl ZINC001250017727 805369786 /nfs/dbraw/zinc/36/97/86/805369786.db2.gz HCNFMPRJKAXREO-UHFFFAOYSA-N -1 1 294.713 3.396 20 0 CGADMM [O-]c1cc(F)c(Nc2cccc(CO)c2)cc1Cl ZINC001250023914 805374939 /nfs/dbraw/zinc/37/49/39/805374939.db2.gz HYRGXUYUEQHFMC-UHFFFAOYSA-N -1 1 267.687 3.421 20 0 CGADMM COc1nccc(Nc2cc(Cl)c([O-])cc2F)c1F ZINC001250023313 805375677 /nfs/dbraw/zinc/37/56/77/805375677.db2.gz IIZNTGZSYUCDBC-UHFFFAOYSA-N -1 1 286.665 3.471 20 0 CGADMM COc1cccc(CO)c1Nc1cc(Cl)c([O-])cc1F ZINC001250025893 805376654 /nfs/dbraw/zinc/37/66/54/805376654.db2.gz HIBSQSKCHIYMNU-UHFFFAOYSA-N -1 1 297.713 3.429 20 0 CGADMM Cc1cc(F)ccc1[C@@H](C)NC(=O)c1cc(F)ccc1[O-] ZINC001154407899 805455119 /nfs/dbraw/zinc/45/51/19/805455119.db2.gz ZKYOMAFEBDSEMN-SNVBAGLBSA-N -1 1 291.297 3.470 20 0 CGADMM COc1cc(Nc2c(F)ccc([O-])c2Cl)ccn1 ZINC001250227875 805504434 /nfs/dbraw/zinc/50/44/34/805504434.db2.gz ANMLTIYNSAXYQH-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM Cc1nnc2cc(Nc3c(F)ccc([O-])c3Cl)ccn12 ZINC001250229495 805507043 /nfs/dbraw/zinc/50/70/43/805507043.db2.gz LEBAIDPEYWMLPM-UHFFFAOYSA-N -1 1 292.701 3.279 20 0 CGADMM CCc1nccnc1Nc1c(F)ccc([O-])c1Cl ZINC001250230023 805507062 /nfs/dbraw/zinc/50/70/62/805507062.db2.gz QZGSHDWYRRBKQH-UHFFFAOYSA-N -1 1 267.691 3.281 20 0 CGADMM Cn1nnc2cc(Nc3c(F)ccc([O-])c3Cl)ccc21 ZINC001250233885 805507667 /nfs/dbraw/zinc/50/76/67/805507667.db2.gz YVZFAVVWEGYBFW-UHFFFAOYSA-N -1 1 292.701 3.210 20 0 CGADMM CN(C)c1cccnc1Nc1c(F)ccc([O-])c1Cl ZINC001250234223 805507846 /nfs/dbraw/zinc/50/78/46/805507846.db2.gz LRJSQGATKNDRES-UHFFFAOYSA-N -1 1 281.718 3.389 20 0 CGADMM O=C1Cc2ccc(Nc3cc([O-])c(Cl)cc3F)cc2N1 ZINC001250317843 805561936 /nfs/dbraw/zinc/56/19/36/805561936.db2.gz DCRQIAASDXYULY-UHFFFAOYSA-N -1 1 292.697 3.423 20 0 CGADMM COCCOc1ccccc1Nc1ccc(F)c(F)c1[O-] ZINC001212641388 815091999 /nfs/dbraw/zinc/09/19/99/815091999.db2.gz UAXHVVJKXPZULC-UHFFFAOYSA-N -1 1 295.285 3.439 20 0 CGADMM [O-]c1cnccc1-c1nc(-c2ccc3cnccc3c2)no1 ZINC001212721678 815115101 /nfs/dbraw/zinc/11/51/01/815115101.db2.gz ZSYCUBHAUGMRPZ-UHFFFAOYSA-N -1 1 290.282 3.052 20 0 CGADMM Cc1csc([N-]S(=O)(=O)Cc2ccc(F)cc2)c1 ZINC001259248775 807676380 /nfs/dbraw/zinc/67/63/80/807676380.db2.gz PNMIHLCUDCRWMN-UHFFFAOYSA-N -1 1 285.365 3.138 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC001260722851 807698528 /nfs/dbraw/zinc/69/85/28/807698528.db2.gz CPRVTZDBJOMVPE-QMMMGPOBSA-N -1 1 297.298 3.125 20 0 CGADMM CC[C@H](C)S(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC001260723117 807698899 /nfs/dbraw/zinc/69/88/99/807698899.db2.gz BQAKLJJRUMHSOV-LBPRGKRZSA-N -1 1 290.388 3.289 20 0 CGADMM CC[C@@H](C)S(=O)(=O)[N-]c1cccc2c(Cl)ccnc12 ZINC001260741521 807703413 /nfs/dbraw/zinc/70/34/13/807703413.db2.gz JXDAHFHKCYRDCF-SECBINFHSA-N -1 1 298.795 3.428 20 0 CGADMM Cc1cnc(F)cc1Nc1cc2ccc([O-])cc2oc1=O ZINC001212848881 815156160 /nfs/dbraw/zinc/15/61/60/815156160.db2.gz ZGJBKSKJLWTJLZ-UHFFFAOYSA-N -1 1 286.262 3.085 20 0 CGADMM Cc1cccc(C)c1OCC(=O)Nc1cccc(F)c1[O-] ZINC001171632865 808108911 /nfs/dbraw/zinc/10/89/11/808108911.db2.gz UGWJDWVLVJTFTA-UHFFFAOYSA-N -1 1 289.306 3.166 20 0 CGADMM [O-]c1c(Cl)nccc1Nc1ccnc(OCC2CC2)c1 ZINC001213016321 815201080 /nfs/dbraw/zinc/20/10/80/815201080.db2.gz NCPWLIMQERBHJP-UHFFFAOYSA-N -1 1 291.738 3.368 20 0 CGADMM CN1CCOc2cc(Nc3cc(F)c([O-])cc3F)ccc21 ZINC001213045609 815211880 /nfs/dbraw/zinc/21/18/80/815211880.db2.gz PWYKXWYLHDPRHP-UHFFFAOYSA-N -1 1 292.285 3.243 20 0 CGADMM CC(=O)Nc1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001173835706 808698998 /nfs/dbraw/zinc/69/89/98/808698998.db2.gz PSHRVWPHQBGEON-UHFFFAOYSA-N -1 1 278.258 3.372 20 0 CGADMM Cc1cc(C)c(-n2[n-]c(=O)c3cc(N)ccc32)c(C)c1 ZINC001173844887 808706973 /nfs/dbraw/zinc/70/69/73/808706973.db2.gz VWSIZPOEFKBCOC-UHFFFAOYSA-N -1 1 267.332 3.239 20 0 CGADMM COc1cc(Nc2cc([O-])c(Cl)cc2F)ccn1 ZINC001174306858 808945713 /nfs/dbraw/zinc/94/57/13/808945713.db2.gz ZCHAIRYHMXFINH-UHFFFAOYSA-N -1 1 268.675 3.332 20 0 CGADMM [O-]c1c(Cl)c(Cl)ccc1Nc1cncnc1 ZINC001174387073 808987395 /nfs/dbraw/zinc/98/73/95/808987395.db2.gz HFAIPYQXTLGKHZ-UHFFFAOYSA-N -1 1 256.092 3.233 20 0 CGADMM Cn1ncc2ccc(Nc3ccc(F)c(F)c3[O-])cc21 ZINC001174341834 808962258 /nfs/dbraw/zinc/96/22/58/808962258.db2.gz VXKQKFAYNQCSMC-UHFFFAOYSA-N -1 1 275.258 3.301 20 0 CGADMM CCOc1ncccc1Nc1c([O-])cc(F)cc1F ZINC001174455955 809018487 /nfs/dbraw/zinc/01/84/87/809018487.db2.gz SCHDTLNNSYCPJN-UHFFFAOYSA-N -1 1 266.247 3.208 20 0 CGADMM CCOc1ncccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001174457441 809020329 /nfs/dbraw/zinc/02/03/29/809020329.db2.gz YYEKMQSXPUBUER-UHFFFAOYSA-N -1 1 298.298 3.036 20 0 CGADMM Cc1ccc2nc(N)n(-c3cccc(/C=C/C(=O)[O-])c3)c2c1 ZINC001174495193 809042466 /nfs/dbraw/zinc/04/24/66/809042466.db2.gz NDICKBWFQLSHNB-SOFGYWHQSA-N -1 1 293.326 3.014 20 0 CGADMM Cc1cc(O)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001174565882 809085706 /nfs/dbraw/zinc/08/57/06/809085706.db2.gz MRYDPKZIAZFADK-UHFFFAOYSA-N -1 1 251.232 3.428 20 0 CGADMM COc1cc(F)cc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001175007764 809236915 /nfs/dbraw/zinc/23/69/15/809236915.db2.gz VNOHNOKXBJQLPP-UHFFFAOYSA-N -1 1 265.288 3.258 20 0 CGADMM [O-]c1ccc(Cl)c(Nc2ccncc2F)c1Cl ZINC001175200707 809306326 /nfs/dbraw/zinc/30/63/26/809306326.db2.gz MTYLZBFOHAVAQM-UHFFFAOYSA-N -1 1 273.094 3.399 20 0 CGADMM COc1cc(F)c(C(=O)[N-]c2nocc2C2CC2)c(F)c1 ZINC001288442253 809361368 /nfs/dbraw/zinc/36/13/68/809361368.db2.gz NOPBBJORPWOKTG-UHFFFAOYSA-N -1 1 294.257 3.091 20 0 CGADMM O=C(Nc1ccc(F)cc1F)c1ccc(F)c([O-])c1 ZINC001290097725 809401349 /nfs/dbraw/zinc/40/13/49/809401349.db2.gz JOINCYLFOPOKFA-UHFFFAOYSA-N -1 1 267.206 3.062 20 0 CGADMM CCOCc1cccc(NC(=O)c2ccc(F)c([O-])c2)c1 ZINC001292594754 809434511 /nfs/dbraw/zinc/43/45/11/809434511.db2.gz ZDTHFVKOHZREAQ-UHFFFAOYSA-N -1 1 289.306 3.320 20 0 CGADMM CC[C@@H]1CCC[C@H](NC(=O)c2cc(C)cc(C=O)c2[O-])C1 ZINC001293706140 809452742 /nfs/dbraw/zinc/45/27/42/809452742.db2.gz AFQZVYJGDJDSKW-OCCSQVGLSA-N -1 1 289.375 3.212 20 0 CGADMM CC[C@@](C)(NC(=O)c1ccc(F)c([O-])c1)c1nccs1 ZINC001293734658 809454017 /nfs/dbraw/zinc/45/40/17/809454017.db2.gz FYHIGFDNHAVWOT-CQSZACIVSA-N -1 1 294.351 3.043 20 0 CGADMM Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([O-])cn1 ZINC001294385934 809466878 /nfs/dbraw/zinc/46/68/78/809466878.db2.gz PIIOGWRCWSKMSE-UHFFFAOYSA-N -1 1 296.248 3.367 20 0 CGADMM Cn1cc2cc(Nc3ccnc(Cl)c3[O-])ccc2n1 ZINC001175618926 809476765 /nfs/dbraw/zinc/47/67/65/809476765.db2.gz KOBVQZNXYSPPBD-UHFFFAOYSA-N -1 1 274.711 3.071 20 0 CGADMM O=C(NCC1(C2CC2)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001295352059 809485812 /nfs/dbraw/zinc/48/58/12/809485812.db2.gz CKOQLIRXKNUIPA-UHFFFAOYSA-N -1 1 299.292 3.331 20 0 CGADMM Cc1cnc(C(=O)N[C@@H](C)C2CCCCCC2)c([O-])c1 ZINC001296192191 809500432 /nfs/dbraw/zinc/50/04/32/809500432.db2.gz BQKLRKNXIKRZLF-LBPRGKRZSA-N -1 1 276.380 3.184 20 0 CGADMM CCOc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cn1 ZINC001175741162 809526449 /nfs/dbraw/zinc/52/64/49/809526449.db2.gz YDCADZZLWZLUQV-UHFFFAOYSA-N -1 1 298.298 3.036 20 0 CGADMM Cc1cnc(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)c([O-])c1 ZINC001299249027 809547302 /nfs/dbraw/zinc/54/73/02/809547302.db2.gz MXEMZHNQMFALAU-RYUDHWBXSA-N -1 1 276.380 3.040 20 0 CGADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1C[C@@H]1C1CCCC1 ZINC001300516790 809569586 /nfs/dbraw/zinc/56/95/86/809569586.db2.gz FERFASSKPRROOT-ZIAGYGMSSA-N -1 1 263.312 3.062 20 0 CGADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccns1 ZINC001302039644 809589494 /nfs/dbraw/zinc/58/94/94/809589494.db2.gz NSBFRERFMILETL-SNVBAGLBSA-N -1 1 298.367 3.493 20 0 CGADMM CCc1ccc(C(=O)N(C)c2ccc(O)c(C)c2)c([O-])c1 ZINC001302300017 809592402 /nfs/dbraw/zinc/59/24/02/809592402.db2.gz TVFDYJIFCRGTMK-UHFFFAOYSA-N -1 1 285.343 3.245 20 0 CGADMM O=C(Nc1cccc(F)c1[O-])C1(Oc2ccccc2)CC1 ZINC001302484616 809595739 /nfs/dbraw/zinc/59/57/39/809595739.db2.gz DXXYPZPBFQUXTL-UHFFFAOYSA-N -1 1 287.290 3.081 20 0 CGADMM O=C(NCCC[C@H]1C=CCC1)c1c([O-])cccc1F ZINC001303273548 809607517 /nfs/dbraw/zinc/60/75/17/809607517.db2.gz MABNHFPRBCGOFV-NSHDSACASA-N -1 1 263.312 3.008 20 0 CGADMM COc1ccc(O)cc1Nc1cc(F)c([O-])cc1F ZINC001176581129 809723020 /nfs/dbraw/zinc/72/30/20/809723020.db2.gz DUCMUKSVWMVCSO-UHFFFAOYSA-N -1 1 267.231 3.128 20 0 CGADMM CCCc1cc(Nc2c(F)cc(F)c([O-])c2F)on1 ZINC001176663232 809737357 /nfs/dbraw/zinc/73/73/57/809737357.db2.gz DCYWXPXEVBVCAA-UHFFFAOYSA-N -1 1 272.226 3.494 20 0 CGADMM CSc1cc(Nc2c(F)cc(F)c([O-])c2F)n(C)n1 ZINC001176664312 809737894 /nfs/dbraw/zinc/73/78/94/809737894.db2.gz UCILDCBAHFIPBF-UHFFFAOYSA-N -1 1 289.282 3.009 20 0 CGADMM COc1ncc(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176664027 809738758 /nfs/dbraw/zinc/73/87/58/809738758.db2.gz JTVAYFJJJVJKAS-UHFFFAOYSA-N -1 1 288.200 3.096 20 0 CGADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1O ZINC001176671741 809739565 /nfs/dbraw/zinc/73/95/65/809739565.db2.gz NDHNVDOQYGCINN-UHFFFAOYSA-N -1 1 285.221 3.267 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2cccc(F)c2O)c1F ZINC001176672356 809739770 /nfs/dbraw/zinc/73/97/70/809739770.db2.gz HLBAPCHHUFCVKR-UHFFFAOYSA-N -1 1 273.185 3.398 20 0 CGADMM [O-]c1c(F)cc(F)c(Nc2ccc(O)cc2)c1F ZINC001176669842 809740308 /nfs/dbraw/zinc/74/03/08/809740308.db2.gz MBQYFETUTHRMGS-UHFFFAOYSA-N -1 1 255.195 3.259 20 0 CGADMM [O-]c1cccc(CNc2cnc3[nH]ccc3c2)c1Cl ZINC001179589182 809931534 /nfs/dbraw/zinc/93/15/34/809931534.db2.gz XNHDBQSCVAOLTI-UHFFFAOYSA-N -1 1 273.723 3.486 20 0 CGADMM CC[C@H](C)C[C@@H](C)[N-]C(=O)C(F)(F)C(F)(F)Cl ZINC001179780356 809944155 /nfs/dbraw/zinc/94/41/55/809944155.db2.gz WMCMWRASQLPQAK-NKWVEPMBSA-N -1 1 277.689 3.394 20 0 CGADMM C[C@H]1CCCN(Cc2ncc(Br)cc2[O-])[C@H]1C ZINC001179858414 809951859 /nfs/dbraw/zinc/95/18/59/809951859.db2.gz FEVDIGYKRAJDOJ-UWVGGRQHSA-N -1 1 299.212 3.170 20 0 CGADMM O=C(Nc1ccc(F)c(F)c1)Nc1cccc(F)c1[O-] ZINC001185089110 810233914 /nfs/dbraw/zinc/23/39/14/810233914.db2.gz AYOYYFQXBUOGHU-UHFFFAOYSA-N -1 1 282.221 3.454 20 0 CGADMM O=C(Nc1cccnc1)Nc1cc([O-])c(Cl)cc1F ZINC001185686001 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/nfs/dbraw/zinc/55/98/53/812559853.db2.gz VNIVYGMZTKCLNI-UHFFFAOYSA-N -1 1 285.318 3.082 20 0 CGADMM Nc1cccc(C(=S)Nc2cc(F)c([O-])cc2F)c1 ZINC001215574445 815538158 /nfs/dbraw/zinc/53/81/58/815538158.db2.gz TZXHBMCWOOFXQV-UHFFFAOYSA-N -1 1 280.299 3.040 20 0 CGADMM [O-]c1ccc(-c2nc(-c3cc(Cl)ccc3F)no2)nn1 ZINC001205294545 812935640 /nfs/dbraw/zinc/93/56/40/812935640.db2.gz WUNAMMWTNWQUCD-UHFFFAOYSA-N -1 1 292.657 3.253 20 0 CGADMM Cc1ccc(F)c(Nc2ccnc(Cl)c2[O-])c1O ZINC001215738591 815570484 /nfs/dbraw/zinc/57/04/84/815570484.db2.gz LPNYPKROFGEEBM-UHFFFAOYSA-N -1 1 268.675 3.337 20 0 CGADMM Cc1ccc([N-]c2nnc(C(C)C)o2)c2c[nH]nc21 ZINC001215754147 815575768 /nfs/dbraw/zinc/57/57/68/815575768.db2.gz LWYBJRJEPVJPCD-UHFFFAOYSA-N -1 1 257.297 3.121 20 0 CGADMM CC(C)Cn1cc(Nc2ccnc(Cl)c2[O-])cn1 ZINC001205850893 813107485 /nfs/dbraw/zinc/10/74/85/813107485.db2.gz RTWOTQPBNURWPG-UHFFFAOYSA-N -1 1 266.732 3.037 20 0 CGADMM Cc1nc2cccc(-c3csc(C(=O)[O-])c3)c2[nH]1 ZINC001206284147 813271091 /nfs/dbraw/zinc/27/10/91/813271091.db2.gz UWDGINOAHYJGSC-UHFFFAOYSA-N -1 1 258.302 3.298 20 0 CGADMM c1coc(-c2nnc([N-]c3ccc(OCC4CC4)nc3)o2)c1 ZINC001210010365 814242298 /nfs/dbraw/zinc/24/22/98/814242298.db2.gz RNIDYDDDWIKCQD-UHFFFAOYSA-N -1 1 298.302 3.257 20 0 CGADMM CC(C)n1nccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001210523524 814507542 /nfs/dbraw/zinc/50/75/42/814507542.db2.gz AIKYMPUUODVVQJ-UHFFFAOYSA-N -1 1 283.335 3.099 20 0 CGADMM Nc1c(F)cc(Nc2ccnc(Cl)c2[O-])cc1F ZINC001210906986 814667165 /nfs/dbraw/zinc/66/71/65/814667165.db2.gz ZRQBRZUHKHOHIK-UHFFFAOYSA-N -1 1 271.654 3.045 20 0 CGADMM CCCn1nccc1Nc1c([O-])cc(F)cc1F ZINC001210916978 814674300 /nfs/dbraw/zinc/67/43/00/814674300.db2.gz UVLWPOKAJOOZBO-UHFFFAOYSA-N -1 1 253.252 3.021 20 0 CGADMM CCCn1nccc1Nc1cc([O-])c(F)c(F)c1 ZINC001210917851 814675603 /nfs/dbraw/zinc/67/56/03/814675603.db2.gz OXFQSFZZDZDAAJ-UHFFFAOYSA-N -1 1 253.252 3.021 20 0 CGADMM CC(=O)Nc1cccc(-c2cccc([O-])c2Cl)n1 ZINC001242797963 823135731 /nfs/dbraw/zinc/13/57/31/823135731.db2.gz PKYNTHJBRSTWOY-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM CC(=Nc1cccc(S(=O)(=O)[O-])c1)c1ccccc1 ZINC001210985155 814698957 /nfs/dbraw/zinc/69/89/57/814698957.db2.gz HYHCKIGQXATOIA-UHFFFAOYSA-N -1 1 275.329 3.016 20 0 CGADMM CC(=O)c1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC001215769922 815584121 /nfs/dbraw/zinc/58/41/21/815584121.db2.gz VCTJLKDTBAJALQ-UHFFFAOYSA-N -1 1 298.273 3.451 20 0 CGADMM O=C1COc2cc(-c3cccc([O-])c3Cl)ccc2N1 ZINC001242800138 823136316 /nfs/dbraw/zinc/13/63/16/823136316.db2.gz CFWFLMUHZZAFED-UHFFFAOYSA-N -1 1 275.691 3.044 20 0 CGADMM CC(C)(C)c1nnc([N-]c2cnn3ccccc23)s1 ZINC001211092146 814741677 /nfs/dbraw/zinc/74/16/77/814741677.db2.gz OXORXDCFXNOWBG-UHFFFAOYSA-N -1 1 273.365 3.227 20 0 CGADMM C[S@](=O)c1ccccc1-c1cccc([O-])c1Cl ZINC001242800315 823136667 /nfs/dbraw/zinc/13/66/67/823136667.db2.gz MOCZBPFOOBQQMC-KRWDZBQOSA-N -1 1 266.749 3.450 20 0 CGADMM [O-]c1cccc(-c2cncc3nccnc32)c1Cl ZINC001242801257 823137369 /nfs/dbraw/zinc/13/73/69/823137369.db2.gz VKRJGALTVJONAK-UHFFFAOYSA-N -1 1 257.680 3.051 20 0 CGADMM Cc1nc2ncc(-c3cc(F)c([O-])cc3F)cc2o1 ZINC001211349390 814883852 /nfs/dbraw/zinc/88/38/52/814883852.db2.gz FHDOOHIROYLJDS-UHFFFAOYSA-N -1 1 262.215 3.182 20 0 CGADMM COC(=O)c1cc(F)cc(-c2cc(F)c([O-])cc2F)c1 ZINC001211353691 814885400 /nfs/dbraw/zinc/88/54/00/814885400.db2.gz YXUOXALLAVEFFP-UHFFFAOYSA-N -1 1 282.217 3.263 20 0 CGADMM CN(C)Cc1cccc(Nc2ccc(C(=O)[O-])cc2)c1F ZINC001216231703 815748075 /nfs/dbraw/zinc/74/80/75/815748075.db2.gz OWFSGRYKSRZQFU-UHFFFAOYSA-N -1 1 288.322 3.329 20 0 CGADMM CSc1nc(Nc2cc(C)cnc2SC)cc(=O)[n-]1 ZINC001216240607 815752076 /nfs/dbraw/zinc/75/20/76/815752076.db2.gz FBLBMQLZQZLKKO-UHFFFAOYSA-N -1 1 294.405 3.073 20 0 CGADMM COc1c(F)ccc([N-]c2nnc(C(C)(C)C)o2)c1OC ZINC001216389282 815809191 /nfs/dbraw/zinc/80/91/91/815809191.db2.gz APVNAOBMHSQECH-UHFFFAOYSA-N -1 1 295.314 3.267 20 0 CGADMM Cc1cccc(-c2noc(-c3c(F)ccc([O-])c3F)n2)n1 ZINC001216920477 815901292 /nfs/dbraw/zinc/90/12/92/815901292.db2.gz QIWJXICEEHVYPO-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM Cc1ccncc1-c1noc(-c2c(F)ccc([O-])c2F)n1 ZINC001216920687 815901919 /nfs/dbraw/zinc/90/19/19/815901919.db2.gz UQZWZADYAALDOD-UHFFFAOYSA-N -1 1 289.241 3.091 20 0 CGADMM [O-]c1cc(F)c(-c2cnc(OCC3CCC3)nc2)cc1F ZINC001222083307 816342891 /nfs/dbraw/zinc/34/28/91/816342891.db2.gz ZCJYZRVUZWUUCC-UHFFFAOYSA-N -1 1 292.285 3.306 20 0 CGADMM CN1Cc2cccc(-c3cc(F)c([O-])cc3F)c2NC1=O ZINC001222085818 816345011 /nfs/dbraw/zinc/34/50/11/816345011.db2.gz CIKMVPSMMCOGKR-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM C[C@H](OCC[P@](=O)([O-])O)c1cccc2ccccc21 ZINC001224607689 816832438 /nfs/dbraw/zinc/83/24/38/816832438.db2.gz UKOXSSPTFISEDV-NSHDSACASA-N -1 1 280.260 3.095 20 0 CGADMM C[C@@H](OCC[P@](=O)([O-])O)c1ccc2ccccc2c1 ZINC001224605942 816833124 /nfs/dbraw/zinc/83/31/24/816833124.db2.gz PGLUGTCINFWCBV-LLVKDONJSA-N -1 1 280.260 3.095 20 0 CGADMM COc1nc(-c2ccc(F)c([O-])c2)nc2ccsc21 ZINC001243055038 823229701 /nfs/dbraw/zinc/22/97/01/823229701.db2.gz ZMZDEWSSJRNQSB-UHFFFAOYSA-N -1 1 276.292 3.212 20 0 CGADMM CCC[C@@H](OCCCC[P@](=O)([O-])O)[C@H](C)CC ZINC001225023299 816934967 /nfs/dbraw/zinc/93/49/67/816934967.db2.gz WWQPSXYSBYETKE-VXGBXAGGSA-N -1 1 266.318 3.176 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)COc1ccccc1 ZINC001225615639 817113898 /nfs/dbraw/zinc/11/38/98/817113898.db2.gz CMKBJICFOYQCSG-LBPRGKRZSA-N -1 1 286.327 3.441 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H]1CC(F)(F)C1(F)F ZINC001225617908 817114160 /nfs/dbraw/zinc/11/41/60/817114160.db2.gz AMKBMAWDASRRKJ-SNVBAGLBSA-N -1 1 278.201 3.017 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@H](C)c1ncccc1F ZINC001225619260 817114287 /nfs/dbraw/zinc/11/42/87/817114287.db2.gz QHNDWWVAAIYFEK-SNVBAGLBSA-N -1 1 275.279 3.269 20 0 CGADMM CC(=O)c1ccc([O-])cc1O[C@@H](C)c1ccccn1 ZINC001225616274 817114367 /nfs/dbraw/zinc/11/43/67/817114367.db2.gz HLDSLPYTAQKRQI-NSHDSACASA-N -1 1 257.289 3.130 20 0 CGADMM CC(=O)c1c(O)cc([O-])cc1O[C@H](C)c1ccco1 ZINC001225674959 817137266 /nfs/dbraw/zinc/13/72/66/817137266.db2.gz PRZWTUVNLIRKRN-SECBINFHSA-N -1 1 262.261 3.033 20 0 CGADMM Cc1ccc([C@@H](C)Oc2cc(=O)[n-]c(=S)[nH]2)c(C)c1 ZINC001225766629 817171421 /nfs/dbraw/zinc/17/14/21/817171421.db2.gz WEYTXGLQGPNYEO-SNVBAGLBSA-N -1 1 276.361 3.228 20 0 CGADMM CO[C@H](C)COc1ccc(C(=O)c2ccc([O-])cc2)cc1 ZINC001225808788 817184292 /nfs/dbraw/zinc/18/42/92/817184292.db2.gz RZVKJUSOTBHZNT-GFCCVEGCSA-N -1 1 286.327 3.037 20 0 CGADMM O=c1cc(OC2CCSCC2)nc(-c2ccccc2)[n-]1 ZINC001226183162 817292199 /nfs/dbraw/zinc/29/21/99/817292199.db2.gz RQJOPZAFMSHMTR-UHFFFAOYSA-N -1 1 288.372 3.124 20 0 CGADMM COc1cnc(=S)[n-]c1O[C@@H](C)c1ccccc1C ZINC001226242311 817308895 /nfs/dbraw/zinc/30/88/95/817308895.db2.gz LBRMAJFWLUNYRV-JTQLQIEISA-N -1 1 276.361 3.222 20 0 CGADMM CC[C@H]1OC(=O)C(Oc2cccc([O-])c2Cl)=C1C ZINC001226708673 817440548 /nfs/dbraw/zinc/44/05/48/817440548.db2.gz IEEXXCKWTMLAKP-SECBINFHSA-N -1 1 268.696 3.034 20 0 CGADMM COCC(=O)c1ccc([O-])cc1O[C@@H]1CCC[C@H](C)[C@H]1C ZINC001227171506 817579318 /nfs/dbraw/zinc/57/93/18/817579318.db2.gz DCUTUQBMCWYBTF-HWWQOWPSSA-N -1 1 292.375 3.425 20 0 CGADMM Fc1cnc(=S)[n-]c1O[C@H](c1ccccc1)C1CC1 ZINC001227386181 817636884 /nfs/dbraw/zinc/63/68/84/817636884.db2.gz QYRUOYBORUCIHO-GFCCVEGCSA-N -1 1 276.336 3.435 20 0 CGADMM CCCOC(=O)[C@@H](C)Oc1cc(Cl)c([O-])cc1Cl ZINC001227641854 817687558 /nfs/dbraw/zinc/68/75/58/817687558.db2.gz SPPIESWKBFOUSL-SSDOTTSWSA-N -1 1 293.146 3.420 20 0 CGADMM CSc1nc(O[C@@H](C)c2cccs2)cc(=O)[n-]1 ZINC001228091182 817809204 /nfs/dbraw/zinc/80/92/04/817809204.db2.gz WCCGMMMJMGIWTA-ZETCQYMHSA-N -1 1 268.363 3.106 20 0 CGADMM Cc1cc(-c2nccc3c2ccn3C)ccc1C(=O)[O-] ZINC001243210194 823293171 /nfs/dbraw/zinc/29/31/71/823293171.db2.gz AYIKTEWLOPDPBP-UHFFFAOYSA-N -1 1 266.300 3.247 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1CCc2cccnc21 ZINC001228553960 817937135 /nfs/dbraw/zinc/93/71/35/817937135.db2.gz FOUFPHPGUJPMSB-AWEZNQCLSA-N -1 1 299.326 3.152 20 0 CGADMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1CCOC(C)(C)C1 ZINC001228553307 817937262 /nfs/dbraw/zinc/93/72/62/817937262.db2.gz ANWSVWRIAYKMOQ-LLVKDONJSA-N -1 1 294.347 3.027 20 0 CGADMM CCCC[C@H](Oc1cnnc(=S)[n-]1)c1ccccc1 ZINC001228642743 817961284 /nfs/dbraw/zinc/96/12/84/817961284.db2.gz UMMLOYKXQUTAKO-LBPRGKRZSA-N -1 1 275.377 3.471 20 0 CGADMM CO[C@H](C)COc1ccccc1C(=O)c1ccc([O-])cc1 ZINC001231230030 818062810 /nfs/dbraw/zinc/06/28/10/818062810.db2.gz JUXINQRGADCNJL-GFCCVEGCSA-N -1 1 286.327 3.037 20 0 CGADMM Oc1cc(C[N@H+]2CC[C@@]3(C2)CCCCO3)ccc1Cl ZINC001231731516 818162366 /nfs/dbraw/zinc/16/23/66/818162366.db2.gz NNMGHYDKTYAQCZ-OAHLLOKOSA-N -1 1 281.783 3.191 20 0 CGADMM Cc1ccc(CN(C)Cc2ccccc2OCC(=O)[O-])cc1 ZINC001231792479 818178190 /nfs/dbraw/zinc/17/81/90/818178190.db2.gz RGBRAUDRVUARSG-UHFFFAOYSA-N -1 1 299.370 3.090 20 0 CGADMM [O-]c1c(F)ccc(C[N@H+]2CCC3(CCCC3)C2)c1F ZINC001232935721 818477970 /nfs/dbraw/zinc/47/79/70/818477970.db2.gz WBIRHESZJSYNMV-UHFFFAOYSA-N -1 1 267.319 3.437 20 0 CGADMM CCCOC1CCN(Cc2cc([O-])c(F)c(F)c2)CC1 ZINC001232971518 818487170 /nfs/dbraw/zinc/48/71/70/818487170.db2.gz LJSZCHFNCWTNRK-UHFFFAOYSA-N -1 1 285.334 3.061 20 0 CGADMM [O-]c1cc(CN(Cc2ccco2)C2CC2)cc(F)c1F ZINC001232975215 818490062 /nfs/dbraw/zinc/49/00/62/818490062.db2.gz HJCOBXGEERMBPJ-UHFFFAOYSA-N -1 1 279.286 3.428 20 0 CGADMM Cc1cc([C@@H]2CCCN2Cc2cc(Cl)ncc2[O-])no1 ZINC001233032882 818504048 /nfs/dbraw/zinc/50/40/48/818504048.db2.gz VQJXAQOZPGJKNY-LBPRGKRZSA-N -1 1 293.754 3.074 20 0 CGADMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C)c1ncccn1 ZINC001233645701 818668515 /nfs/dbraw/zinc/66/85/15/818668515.db2.gz ATIGXYNQYUQKSJ-NSHDSACASA-N -1 1 286.331 3.305 20 0 CGADMM O=C1Nc2ccc(-c3ccc([O-])c(F)c3F)cc2C12CC2 ZINC001243342579 823356916 /nfs/dbraw/zinc/35/69/16/823356916.db2.gz JERHIOHIKMHINH-UHFFFAOYSA-N -1 1 287.265 3.321 20 0 CGADMM CC(=O)Nc1ccc(F)cc1-c1ccc([O-])c(F)c1F ZINC001243342710 823357315 /nfs/dbraw/zinc/35/73/15/823357315.db2.gz QMIYAMOGYJDZAP-UHFFFAOYSA-N -1 1 281.233 3.435 20 0 CGADMM COc1cc(C)ncc1-c1ccc([O-])c(F)c1F ZINC001243342600 823357429 /nfs/dbraw/zinc/35/74/29/823357429.db2.gz JZITZDOFXSBZDV-UHFFFAOYSA-N -1 1 251.232 3.049 20 0 CGADMM [O-]c1ccc(-c2ccc(OC(F)F)nc2)c(F)c1F ZINC001243342639 823358054 /nfs/dbraw/zinc/35/80/54/823358054.db2.gz MQKDQXXJLSYLHZ-UHFFFAOYSA-N -1 1 273.185 3.334 20 0 CGADMM FC1(F)C[C@H](Oc2nc3sccc3[n-]2)C1(F)F ZINC001234846207 818930956 /nfs/dbraw/zinc/93/09/56/818930956.db2.gz ADJSSBNDZLVNHD-YFKPBYRVSA-N -1 1 266.219 3.046 20 0 CGADMM c1cc2[n-]c(O[C@H]3CCCc4cccnc43)nc2s1 ZINC001234852109 818934648 /nfs/dbraw/zinc/93/46/48/818934648.db2.gz RQAAJUYZCDYYPY-NSHDSACASA-N -1 1 271.345 3.476 20 0 CGADMM COc1ccc2ncnc(-c3c(F)ccc(C)c3[O-])c2c1 ZINC001236391470 819447375 /nfs/dbraw/zinc/44/73/75/819447375.db2.gz NGXUQDGKOWVPOK-UHFFFAOYSA-N -1 1 284.290 3.459 20 0 CGADMM Cc1ccc(F)c(-c2ccnc(-c3cncs3)n2)c1[O-] ZINC001236402233 819452439 /nfs/dbraw/zinc/45/24/39/819452439.db2.gz IRYHKGVJBMSEPV-UHFFFAOYSA-N -1 1 287.319 3.420 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cccc2c1OCO2 ZINC001243504082 823422307 /nfs/dbraw/zinc/42/23/07/823422307.db2.gz MOOVDFVMYGXINU-UHFFFAOYSA-N -1 1 250.200 3.066 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cccc2cnncc21 ZINC001243504163 823422773 /nfs/dbraw/zinc/42/27/73/823422773.db2.gz JHMGJXQBGFBJPT-UHFFFAOYSA-N -1 1 258.227 3.281 20 0 CGADMM [O-]c1c(F)cc(F)cc1-c1cccc2c1COCC2 ZINC001243505149 823423057 /nfs/dbraw/zinc/42/30/57/823423057.db2.gz UFVOTLUKFRAMGD-UHFFFAOYSA-N -1 1 262.255 3.410 20 0 CGADMM CN1Cc2ccc(-c3cc(F)cc(F)c3[O-])cc2NC1=O ZINC001243504676 823423230 /nfs/dbraw/zinc/42/32/30/823423230.db2.gz PDBBUESYIKVSAW-UHFFFAOYSA-N -1 1 290.269 3.315 20 0 CGADMM Cc1cnc2[nH]ccc2c1-c1cc(F)cc(F)c1[O-] ZINC001243506689 823424293 /nfs/dbraw/zinc/42/42/93/823424293.db2.gz JAENDVSTBGPNAS-UHFFFAOYSA-N -1 1 260.243 3.474 20 0 CGADMM CC(=O)Nc1ccnc(-c2ccc(Cl)c([O-])c2)c1 ZINC001243576083 823451051 /nfs/dbraw/zinc/45/10/51/823451051.db2.gz BETRXCWZAGHKRA-UHFFFAOYSA-N -1 1 262.696 3.066 20 0 CGADMM Cc1nc2ccc(-c3ccc(Cl)c([O-])c3)nc2n1C ZINC001243576460 823451524 /nfs/dbraw/zinc/45/15/24/823451524.db2.gz OUGQYZNAEZCYIT-UHFFFAOYSA-N -1 1 273.723 3.303 20 0 CGADMM O=C1C=CC(=O)N1c1ccccc1-c1ccc(Cl)c([O-])c1 ZINC001243580360 823453584 /nfs/dbraw/zinc/45/35/84/823453584.db2.gz AYVWTTCWKBCMJZ-UHFFFAOYSA-N -1 1 299.713 3.142 20 0 CGADMM Cc1cc(N(C)C)ncc1-c1ccc(Cl)c([O-])c1 ZINC001243578297 823451797 /nfs/dbraw/zinc/45/17/97/823451797.db2.gz MTFYWXWRZHSIFG-UHFFFAOYSA-N -1 1 262.740 3.482 20 0 CGADMM [O-]c1cc(-c2cncc(OC(F)F)n2)ccc1Cl ZINC001243579869 823453623 /nfs/dbraw/zinc/45/36/23/823453623.db2.gz WESGBORJDDBVEQ-UHFFFAOYSA-N -1 1 272.638 3.104 20 0 CGADMM CN(CC1CC1)c1cncc(-c2ccc(Cl)c([O-])c2)n1 ZINC001243577889 823452202 /nfs/dbraw/zinc/45/22/02/823452202.db2.gz BMNVBNYOFAGZAT-UHFFFAOYSA-N -1 1 289.766 3.349 20 0 CGADMM CCc1ncc(F)c(-c2ccc(Cl)c([O-])c2)n1 ZINC001243579882 823453655 /nfs/dbraw/zinc/45/36/55/823453655.db2.gz WQUPPGZAIYUYJS-UHFFFAOYSA-N -1 1 252.676 3.204 20 0 CGADMM [O-]c1cc(-c2cnc3c(c2)CCCN3)ccc1Cl ZINC001243581608 823454265 /nfs/dbraw/zinc/45/42/65/823454265.db2.gz KFFSUERRJVCNMZ-UHFFFAOYSA-N -1 1 260.724 3.108 20 0 CGADMM O=C([O-])c1ccc(-c2ccc3[nH]cnc3c2)c(F)c1 ZINC001239257221 820242756 /nfs/dbraw/zinc/24/27/56/820242756.db2.gz WAORUMDOOFJVTE-UHFFFAOYSA-N -1 1 256.236 3.067 20 0 CGADMM COC(=O)c1nc2cc(-c3cc(C)cnc3C)ccc2[n-]1 ZINC001239902735 820691707 /nfs/dbraw/zinc/69/17/07/820691707.db2.gz QOHCXQYBTSQDOO-UHFFFAOYSA-N -1 1 281.315 3.028 20 0 CGADMM COC(=O)c1nc2ccc(-c3cc(C)cnc3C)cc2[n-]1 ZINC001239902735 820691709 /nfs/dbraw/zinc/69/17/09/820691709.db2.gz QOHCXQYBTSQDOO-UHFFFAOYSA-N -1 1 281.315 3.028 20 0 CGADMM [O-]c1ccc(F)cc1-c1ncnc2cc(F)c(F)cc21 ZINC001240693477 821249501 /nfs/dbraw/zinc/24/95/01/821249501.db2.gz SHQKOGHBBKZTEC-UHFFFAOYSA-N -1 1 276.217 3.420 20 0 CGADMM CSc1nc2[nH]ccc2c(-c2cc(F)ccc2[O-])n1 ZINC001240693775 821249620 /nfs/dbraw/zinc/24/96/20/821249620.db2.gz YTCRSKGXFQFKKS-UHFFFAOYSA-N -1 1 275.308 3.143 20 0 CGADMM CCc1c(C)cc(-c2ccc3c(c2)CC(=O)[N-]C3=O)cc1C ZINC001240740555 821292197 /nfs/dbraw/zinc/29/21/97/821292197.db2.gz SXSXNLQAVOUJLX-UHFFFAOYSA-N -1 1 293.366 3.345 20 0 CGADMM [O-]c1ccc(-c2nc(C3CC3)nc3[nH]ccc32)cc1F ZINC001240786689 821327967 /nfs/dbraw/zinc/32/79/67/821327967.db2.gz ZTSBEIYEFMVXQF-UHFFFAOYSA-N -1 1 269.279 3.299 20 0 CGADMM COC(=O)c1ccc2cnc(-c3ccc(C)cc3[O-])nc2c1 ZINC001241028372 821502435 /nfs/dbraw/zinc/50/24/35/821502435.db2.gz MOXPKVMMXJSBCW-UHFFFAOYSA-N -1 1 294.310 3.097 20 0 CGADMM Cc1ccc(-c2ncc3ccc(F)cc3n2)c([O-])c1 ZINC001241028669 821504163 /nfs/dbraw/zinc/50/41/63/821504163.db2.gz QOODAKGLTLQHSH-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM COC(=O)c1c(C)cccc1-c1c(F)cc([O-])cc1F ZINC001241119461 821574598 /nfs/dbraw/zinc/57/45/98/821574598.db2.gz ONQYNRRATRMGLF-UHFFFAOYSA-N -1 1 278.254 3.432 20 0 CGADMM CCOC(=O)c1ncc(-c2c(F)cc([O-])cc2F)cc1C ZINC001241121109 821577645 /nfs/dbraw/zinc/57/76/45/821577645.db2.gz BNHCCYWPQMDFQY-UHFFFAOYSA-N -1 1 293.269 3.218 20 0 CGADMM COc1ncnc2ccc(-c3c(F)cc([O-])cc3F)cc21 ZINC001241122737 821580092 /nfs/dbraw/zinc/58/00/92/821580092.db2.gz XSHHHFGGBPPPAR-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM [O-]c1cc(F)c(-c2ccccc2N2CCOCC2)c(F)c1 ZINC001241123252 821580335 /nfs/dbraw/zinc/58/03/35/821580335.db2.gz XPQYNQMASLTXDN-UHFFFAOYSA-N -1 1 291.297 3.174 20 0 CGADMM COc1nc(-c2ccccc2)nc(-c2cc([O-])cc(F)c2)n1 ZINC001241256591 821676815 /nfs/dbraw/zinc/67/68/15/821676815.db2.gz YKIDJZPLKGLNKC-UHFFFAOYSA-N -1 1 297.289 3.059 20 0 CGADMM Cc1nc(C)c(C)c(-c2c(F)ccc([O-])c2F)n1 ZINC001241290868 821707878 /nfs/dbraw/zinc/70/78/78/821707878.db2.gz WLIJDSDRUOYZRB-UHFFFAOYSA-N -1 1 250.248 3.053 20 0 CGADMM COc1ccc2nc(-c3c(F)ccc([O-])c3F)cnc2c1 ZINC001241291898 821709777 /nfs/dbraw/zinc/70/97/77/821709777.db2.gz WNBANFQEDRYDRZ-UHFFFAOYSA-N -1 1 288.253 3.289 20 0 CGADMM Cc1nc2c[nH]cc(-c3ccc(C(=O)[O-])c(Cl)c3)c-2n1 ZINC001241348965 821752171 /nfs/dbraw/zinc/75/21/71/821752171.db2.gz KOEXCKSFLVICIR-UHFFFAOYSA-N -1 1 287.706 3.285 20 0 CGADMM Cc1nc2c(cncc2-c2ccc(C(=O)[O-])c(Cl)c2)[nH]1 ZINC001241348965 821752178 /nfs/dbraw/zinc/75/21/78/821752178.db2.gz KOEXCKSFLVICIR-UHFFFAOYSA-N -1 1 287.706 3.285 20 0 CGADMM O=C([O-])c1cc(F)cc(-c2cc3nc[nH]c3cc2F)c1 ZINC001241837455 822173076 /nfs/dbraw/zinc/17/30/76/822173076.db2.gz VORMNWDFDJPCCK-UHFFFAOYSA-N -1 1 274.226 3.206 20 0 CGADMM COc1ccc(-c2cc3nc[nH]c3c(C)c2)cc1C(=O)[O-] ZINC001241865042 822184006 /nfs/dbraw/zinc/18/40/06/822184006.db2.gz HAALSWFIBZCGGX-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM [S-]c1ccc(-c2ccccc2CN2CCOCC2)cc1 ZINC001241990301 822258625 /nfs/dbraw/zinc/25/86/25/822258625.db2.gz TZMDWEZSMHIIOX-UHFFFAOYSA-N -1 1 285.412 3.475 20 0 CGADMM Cc1cnnc(-c2cc(C(F)(F)F)ccc2[O-])c1 ZINC001242131800 822888172 /nfs/dbraw/zinc/88/81/72/822888172.db2.gz QBCFWLALWHYVNE-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM Cc1cncc(-c2cc(C(F)(F)F)ccc2[O-])n1 ZINC001242132095 822888400 /nfs/dbraw/zinc/88/84/00/822888400.db2.gz VHILGVIHIRMOFQ-UHFFFAOYSA-N -1 1 254.211 3.176 20 0 CGADMM Cc1noc2ncnc(-c3cc(C(F)(F)F)ccc3[O-])c12 ZINC001242133440 822889579 /nfs/dbraw/zinc/88/95/79/822889579.db2.gz HLCTUDGMUCBFGI-UHFFFAOYSA-N -1 1 295.220 3.318 20 0 CGADMM COCc1cc(-c2ccc([O-])c(C(F)(F)F)c2)ncn1 ZINC001242151844 822895755 /nfs/dbraw/zinc/89/57/55/822895755.db2.gz VQCVGWUYIMTFBI-UHFFFAOYSA-N -1 1 284.237 3.014 20 0 CGADMM COc1nc(C)cc(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151494 822895822 /nfs/dbraw/zinc/89/58/22/822895822.db2.gz PQFOJBFHBGMNKJ-UHFFFAOYSA-N -1 1 284.237 3.185 20 0 CGADMM CC(=O)Nc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nc1 ZINC001242153548 822896737 /nfs/dbraw/zinc/89/67/37/822896737.db2.gz ZXKLMBDXWXKTKK-UHFFFAOYSA-N -1 1 296.248 3.431 20 0 CGADMM NC(=O)c1cccc(-c2ccc([O-])c(C(F)(F)F)c2)c1F ZINC001242163113 822900474 /nfs/dbraw/zinc/90/04/74/822900474.db2.gz YGGZLXXAXSYPBG-UHFFFAOYSA-N -1 1 299.223 3.316 20 0 CGADMM COc1nc2[nH]ccc2cc1-c1ccc(F)cc1[O-] ZINC001242218923 822915564 /nfs/dbraw/zinc/91/55/64/822915564.db2.gz DWFDVYRXVCUJRS-UHFFFAOYSA-N -1 1 258.252 3.035 20 0 CGADMM Cc1cccc(-c2ncc3ccc(F)cc3n2)c1[O-] ZINC001242342856 822956731 /nfs/dbraw/zinc/95/67/31/822956731.db2.gz IZWKAWIVKLRFGI-UHFFFAOYSA-N -1 1 254.264 3.450 20 0 CGADMM COc1nc(OC)c(-c2cccc(F)c2[O-])cc1SC ZINC001242354169 822963203 /nfs/dbraw/zinc/96/32/03/822963203.db2.gz SKESTRAGRLZTJT-UHFFFAOYSA-N -1 1 295.335 3.332 20 0 CGADMM CNC(=O)c1ccc(-c2cccc(Cl)c2[O-])cc1 ZINC001242364326 822968075 /nfs/dbraw/zinc/96/80/75/822968075.db2.gz HVADLMJMDXMDGX-UHFFFAOYSA-N -1 1 261.708 3.072 20 0 CGADMM COc1ccc(C(=O)[O-])cc1-c1cccc2nc(C)[nH]c21 ZINC001242391393 822979342 /nfs/dbraw/zinc/97/93/42/822979342.db2.gz NZXYWLMIEIXAMB-UHFFFAOYSA-N -1 1 282.299 3.245 20 0 CGADMM